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: B 29 ASN : amide:sc= 0 K(o=0,f=0.52) USER MOD Set 1.2: B 47 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 29 ASN : amide:sc= -0.788 K(o=-1.3,f=-0.14) USER MOD Set 2.2: A 31 GLN : amide:sc= -0.53 X(o=-1.3,f=-1.1) USER MOD Set 2.3: A 47 SER OG : rot 180:sc= 0.0612 USER MOD Single : A 17 GLN : amide:sc= -0.61 K(o=-0.61,f=-4.4!) USER MOD Single : A 18 THR OG1 : rot -120:sc= -2.91! USER MOD Single : A 19 THR OG1 : rot 93:sc= 0.289 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= -3.73! C(o=-3.7!,f=-14!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -114:sc= -0.117 (180deg=-1.27) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 160:sc= -0.094 (180deg=-0.491) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.45) 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+ 169:sc= -0.0065 (180deg=-0.15) USER MOD Single : A 68 GLN : amide:sc= -0.0135 X(o=-0.014,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 GLN : amide:sc= -0.46 K(o=-0.46,f=-4.3!) USER MOD Single : B 18 THR OG1 : rot 42:sc= -3.24! USER MOD Single : B 19 THR OG1 : rot 92:sc= 0.296 USER MOD Single : B 20 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.7!) USER MOD Single : B 23 HIS : no HD1:sc= -3.69! 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 -152:sc=-0.000462 (180deg=-0.227) USER MOD Single : B 28 SER OG : rot -170:sc= 0 USER MOD Single : B 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 GLN : amide:sc= -1.89 K(o=-1.9,f=-0.15) USER MOD Single : B 40 SER OG : rot -44:sc= 0.264 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ 166:sc= -0.0346 (180deg=-0.244) USER MOD Single : B 50 ASN : amide:sc=-0.00434 X(o=-0.0043,f=0) 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+ 168:sc=-0.00651 (180deg=-0.143) USER MOD Single : B 68 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -6.228 -18.247 15.322 1.00 0.81 N ATOM 2 CA LEU A 8 -6.839 -18.774 14.082 1.00 0.78 C ATOM 3 C LEU A 8 -8.283 -19.250 14.361 1.00 0.78 C ATOM 4 O LEU A 8 -8.547 -20.397 14.718 1.00 0.80 O ATOM 5 CB LEU A 8 -5.951 -19.897 13.515 1.00 0.80 C ATOM 6 CG LEU A 8 -6.362 -20.443 12.134 1.00 0.78 C ATOM 7 CD1 LEU A 8 -5.141 -21.075 11.468 1.00 0.80 C ATOM 8 CD2 LEU A 8 -7.430 -21.539 12.202 1.00 0.78 C ATOM 0 HA LEU A 8 -6.903 -17.987 13.330 1.00 0.78 H new ATOM 0 HB2 LEU A 8 -4.928 -19.527 13.449 1.00 0.80 H new ATOM 0 HB3 LEU A 8 -5.946 -20.724 14.225 1.00 0.80 H new ATOM 0 HG LEU A 8 -6.766 -19.595 11.581 1.00 0.78 H new ATOM 0 HD11 LEU A 8 -5.421 -21.465 10.489 1.00 0.80 H new ATOM 0 HD12 LEU A 8 -4.361 -20.323 11.349 1.00 0.80 H new ATOM 0 HD13 LEU A 8 -4.768 -21.889 12.090 1.00 0.80 H new ATOM 0 HD21 LEU A 8 -7.670 -21.876 11.194 1.00 0.78 H new ATOM 0 HD22 LEU A 8 -7.053 -22.379 12.785 1.00 0.78 H new ATOM 0 HD23 LEU A 8 -8.328 -21.143 12.676 1.00 0.78 H new ATOM 20 N ARG A 9 -9.159 -18.262 14.419 1.00 0.76 N ATOM 21 CA ARG A 9 -10.589 -18.515 14.680 1.00 0.76 C ATOM 22 C ARG A 9 -11.477 -17.775 13.682 1.00 0.72 C ATOM 23 O ARG A 9 -12.152 -18.393 12.862 1.00 0.71 O ATOM 24 CB ARG A 9 -10.961 -18.230 16.148 1.00 0.79 C ATOM 25 CG ARG A 9 -10.660 -16.800 16.608 1.00 0.78 C ATOM 26 CD ARG A 9 -11.238 -16.518 17.992 1.00 0.82 C ATOM 27 NE ARG A 9 -10.998 -15.104 18.341 1.00 0.81 N ATOM 28 CZ ARG A 9 -9.841 -14.561 18.728 1.00 0.83 C ATOM 29 NH1 ARG A 9 -8.731 -15.283 18.833 1.00 0.84 N ATOM 30 NH2 ARG A 9 -9.793 -13.278 19.063 1.00 0.83 N ATOM 0 H ARG A 9 -8.920 -17.279 14.291 1.00 0.76 H new ATOM 0 HA ARG A 9 -10.774 -19.578 14.525 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -12.024 -18.428 16.286 1.00 0.79 H new ATOM 0 HB3 ARG A 9 -10.421 -18.927 16.789 1.00 0.79 H new ATOM 0 HG2 ARG A 9 -9.582 -16.643 16.625 1.00 0.78 H new ATOM 0 HG3 ARG A 9 -11.074 -16.092 15.890 1.00 0.78 H new ATOM 0 HD2 ARG A 9 -12.307 -16.731 18.003 1.00 0.82 H new ATOM 0 HD3 ARG A 9 -10.775 -17.171 18.732 1.00 0.82 H new ATOM 0 HE ARG A 9 -11.800 -14.476 18.280 1.00 0.81 H new ATOM 0 HH11 ARG A 9 -8.748 -16.279 18.615 1.00 0.84 H new ATOM 0 HH12 ARG A 9 -7.861 -14.841 19.131 1.00 0.84 H new ATOM 0 HH21 ARG A 9 -10.639 -12.709 19.025 1.00 0.83 H new ATOM 0 HH22 ARG A 9 -8.911 -12.861 19.359 1.00 0.83 H new ATOM 44 N GLU A 10 -11.425 -16.441 13.739 1.00 0.70 N ATOM 45 CA GLU A 10 -12.296 -15.552 12.961 1.00 0.67 C ATOM 46 C GLU A 10 -11.602 -14.213 12.710 1.00 0.65 C ATOM 47 O GLU A 10 -11.202 -13.519 13.645 1.00 0.67 O ATOM 48 CB GLU A 10 -13.598 -15.290 13.728 1.00 0.69 C ATOM 49 CG GLU A 10 -14.448 -16.554 13.901 1.00 0.71 C ATOM 50 CD GLU A 10 -15.780 -16.302 14.608 1.00 0.73 C ATOM 51 OE1 GLU A 10 -16.292 -15.164 14.497 1.00 0.72 O ATOM 52 OE2 GLU A 10 -16.271 -17.265 15.232 1.00 0.76 O ATOM 0 H GLU A 10 -10.767 -15.940 14.336 1.00 0.70 H new ATOM 0 HA GLU A 10 -12.514 -16.037 12.009 1.00 0.67 H new ATOM 0 HB2 GLU A 10 -13.360 -14.880 14.710 1.00 0.69 H new ATOM 0 HB3 GLU A 10 -14.180 -14.535 13.200 1.00 0.69 H new ATOM 0 HG2 GLU A 10 -14.643 -16.988 12.920 1.00 0.71 H new ATOM 0 HG3 GLU A 10 -13.878 -17.290 14.468 1.00 0.71 H new ATOM 59 N LEU A 11 -11.346 -13.977 11.435 1.00 0.62 N ATOM 60 CA LEU A 11 -10.705 -12.737 10.968 1.00 0.60 C ATOM 61 C LEU A 11 -11.558 -12.076 9.884 1.00 0.57 C ATOM 62 O LEU A 11 -12.115 -12.747 9.015 1.00 0.56 O ATOM 63 CB LEU A 11 -9.314 -13.059 10.421 1.00 0.60 C ATOM 64 CG LEU A 11 -8.399 -13.610 11.513 1.00 0.63 C ATOM 65 CD1 LEU A 11 -7.822 -14.959 11.079 1.00 0.65 C ATOM 66 CD2 LEU A 11 -7.289 -12.610 11.833 1.00 0.64 C ATOM 0 H LEU A 11 -11.572 -14.632 10.687 1.00 0.62 H new ATOM 0 HA LEU A 11 -10.612 -12.044 11.804 1.00 0.60 H new ATOM 0 HB2 LEU A 11 -9.398 -13.787 9.614 1.00 0.60 H new ATOM 0 HB3 LEU A 11 -8.872 -12.159 9.994 1.00 0.60 H new ATOM 0 HG LEU A 11 -8.980 -13.764 12.422 1.00 0.63 H new ATOM 0 HD11 LEU A 11 -7.171 -15.345 11.863 1.00 0.65 H new ATOM 0 HD12 LEU A 11 -8.635 -15.663 10.903 1.00 0.65 H new ATOM 0 HD13 LEU A 11 -7.248 -14.831 10.161 1.00 0.65 H new ATOM 0 HD21 LEU A 11 -6.646 -13.018 12.613 1.00 0.64 H new ATOM 0 HD22 LEU A 11 -6.698 -12.423 10.936 1.00 0.64 H new ATOM 0 HD23 LEU A 11 -7.730 -11.675 12.178 1.00 0.64 H new ATOM 78 N ARG A 12 -11.616 -10.761 9.974 1.00 0.56 N ATOM 79 CA ARG A 12 -12.451 -9.937 9.078 1.00 0.54 C ATOM 80 C ARG A 12 -11.538 -9.229 8.085 1.00 0.51 C ATOM 81 O ARG A 12 -10.413 -8.855 8.423 1.00 0.51 O ATOM 82 CB ARG A 12 -13.218 -8.888 9.904 1.00 0.55 C ATOM 83 CG ARG A 12 -13.862 -9.419 11.194 1.00 0.59 C ATOM 84 CD ARG A 12 -14.701 -10.669 10.922 1.00 0.59 C ATOM 85 NE ARG A 12 -15.428 -11.101 12.114 1.00 0.63 N ATOM 86 CZ ARG A 12 -16.741 -10.952 12.208 1.00 0.65 C ATOM 87 NH1 ARG A 12 -17.264 -9.787 12.564 1.00 0.66 N ATOM 88 NH2 ARG A 12 -17.528 -12.000 12.036 1.00 0.66 N ATOM 0 H ARG A 12 -11.093 -10.222 10.664 1.00 0.56 H new ATOM 0 HA ARG A 12 -13.167 -10.568 8.550 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -12.533 -8.081 10.164 1.00 0.55 H new ATOM 0 HB3 ARG A 12 -13.998 -8.455 9.278 1.00 0.55 H new ATOM 0 HG2 ARG A 12 -13.085 -9.651 11.922 1.00 0.59 H new ATOM 0 HG3 ARG A 12 -14.491 -8.645 11.635 1.00 0.59 H new ATOM 0 HD2 ARG A 12 -15.408 -10.465 10.118 1.00 0.59 H new ATOM 0 HD3 ARG A 12 -14.053 -11.475 10.579 1.00 0.59 H new ATOM 0 HE ARG A 12 -14.915 -11.525 12.887 1.00 0.63 H new ATOM 0 HH11 ARG A 12 -16.654 -8.995 12.768 1.00 0.66 H new ATOM 0 HH12 ARG A 12 -18.276 -9.682 12.634 1.00 0.66 H new ATOM 0 HH21 ARG A 12 -17.123 -12.914 11.833 1.00 0.66 H new ATOM 0 HH22 ARG A 12 -18.540 -11.895 12.107 1.00 0.66 H new ATOM 102 N CYS A 13 -12.038 -9.038 6.868 1.00 0.49 N ATOM 103 CA CYS A 13 -11.327 -8.233 5.857 1.00 0.47 C ATOM 104 C CYS A 13 -11.016 -6.837 6.423 1.00 0.47 C ATOM 105 O CYS A 13 -11.738 -6.331 7.281 1.00 0.48 O ATOM 106 CB CYS A 13 -12.202 -8.099 4.611 1.00 0.47 C ATOM 107 SG CYS A 13 -12.266 -9.600 3.565 1.00 0.48 S ATOM 0 H CYS A 13 -12.927 -9.424 6.551 1.00 0.49 H new ATOM 0 HA CYS A 13 -10.391 -8.727 5.595 1.00 0.47 H new ATOM 0 HB2 CYS A 13 -13.216 -7.843 4.920 1.00 0.47 H new ATOM 0 HB3 CYS A 13 -11.832 -7.268 4.010 1.00 0.47 H new ATOM 112 N VAL A 14 -9.930 -6.242 5.934 1.00 0.45 N ATOM 113 CA VAL A 14 -9.540 -4.871 6.355 1.00 0.45 C ATOM 114 C VAL A 14 -10.644 -3.841 6.023 1.00 0.44 C ATOM 115 O VAL A 14 -10.816 -2.839 6.710 1.00 0.45 O ATOM 116 CB VAL A 14 -8.147 -4.485 5.804 1.00 0.44 C ATOM 117 CG1 VAL A 14 -8.055 -4.361 4.280 1.00 0.43 C ATOM 118 CG2 VAL A 14 -7.626 -3.190 6.432 1.00 0.45 C ATOM 0 H VAL A 14 -9.302 -6.670 5.253 1.00 0.45 H new ATOM 0 HA VAL A 14 -9.443 -4.863 7.441 1.00 0.45 H new ATOM 0 HB VAL A 14 -7.522 -5.331 6.089 1.00 0.44 H new ATOM 0 HG11 VAL A 14 -7.038 -4.087 3.998 1.00 0.43 H new ATOM 0 HG12 VAL A 14 -8.314 -5.315 3.821 1.00 0.43 H new ATOM 0 HG13 VAL A 14 -8.747 -3.592 3.935 1.00 0.43 H new ATOM 0 HG21 VAL A 14 -6.646 -2.954 6.018 1.00 0.45 H new ATOM 0 HG22 VAL A 14 -8.317 -2.376 6.214 1.00 0.45 H new ATOM 0 HG23 VAL A 14 -7.544 -3.317 7.511 1.00 0.45 H new ATOM 128 N CYS A 15 -11.361 -4.129 4.942 1.00 0.44 N ATOM 129 CA CYS A 15 -12.477 -3.316 4.436 1.00 0.44 C ATOM 130 C CYS A 15 -13.780 -4.108 4.429 1.00 0.46 C ATOM 131 O CYS A 15 -13.959 -5.024 3.626 1.00 0.46 O ATOM 132 CB CYS A 15 -12.190 -2.876 3.006 1.00 0.43 C ATOM 133 SG CYS A 15 -10.926 -1.577 2.909 1.00 0.42 S ATOM 0 H CYS A 15 -11.182 -4.956 4.373 1.00 0.44 H new ATOM 0 HA CYS A 15 -12.579 -2.454 5.095 1.00 0.44 H new ATOM 0 HB2 CYS A 15 -11.864 -3.738 2.424 1.00 0.43 H new ATOM 0 HB3 CYS A 15 -13.112 -2.514 2.550 1.00 0.43 H new ATOM 138 N LEU A 16 -14.624 -3.795 5.402 1.00 0.48 N ATOM 139 CA LEU A 16 -15.973 -4.390 5.478 1.00 0.51 C ATOM 140 C LEU A 16 -17.008 -3.691 4.581 1.00 0.53 C ATOM 141 O LEU A 16 -17.902 -4.332 4.022 1.00 0.55 O ATOM 142 CB LEU A 16 -16.458 -4.442 6.929 1.00 0.54 C ATOM 143 CG LEU A 16 -15.618 -5.391 7.801 1.00 0.53 C ATOM 144 CD1 LEU A 16 -16.115 -5.332 9.245 1.00 0.57 C ATOM 145 CD2 LEU A 16 -15.667 -6.837 7.291 1.00 0.53 C ATOM 0 H LEU A 16 -14.411 -3.137 6.152 1.00 0.48 H new ATOM 0 HA LEU A 16 -15.879 -5.405 5.092 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -16.426 -3.439 7.355 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -17.499 -4.763 6.949 1.00 0.54 H new ATOM 0 HG LEU A 16 -14.580 -5.061 7.749 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -15.520 -6.005 9.862 1.00 0.57 H new ATOM 0 HD12 LEU A 16 -16.019 -4.314 9.621 1.00 0.57 H new ATOM 0 HD13 LEU A 16 -17.161 -5.636 9.282 1.00 0.57 H new ATOM 0 HD21 LEU A 16 -15.060 -7.471 7.937 1.00 0.53 H new ATOM 0 HD22 LEU A 16 -16.698 -7.191 7.300 1.00 0.53 H new ATOM 0 HD23 LEU A 16 -15.278 -6.877 6.274 1.00 0.53 H new ATOM 157 N GLN A 17 -16.847 -2.394 4.429 1.00 0.53 N ATOM 158 CA GLN A 17 -17.726 -1.526 3.636 1.00 0.55 C ATOM 159 C GLN A 17 -16.979 -1.013 2.393 1.00 0.53 C ATOM 160 O GLN A 17 -15.805 -1.305 2.173 1.00 0.50 O ATOM 161 CB GLN A 17 -18.256 -0.365 4.499 1.00 0.57 C ATOM 162 CG GLN A 17 -17.220 0.697 4.913 1.00 0.56 C ATOM 163 CD GLN A 17 -16.179 0.232 5.939 1.00 0.54 C ATOM 164 OE1 GLN A 17 -16.183 -0.841 6.520 1.00 0.54 O ATOM 165 NE2 GLN A 17 -15.227 1.089 6.211 1.00 0.53 N ATOM 0 H GLN A 17 -16.077 -1.886 4.865 1.00 0.53 H new ATOM 0 HA GLN A 17 -18.587 -2.102 3.296 1.00 0.55 H new ATOM 0 HB2 GLN A 17 -19.057 0.132 3.952 1.00 0.57 H new ATOM 0 HB3 GLN A 17 -18.699 -0.783 5.403 1.00 0.57 H new ATOM 0 HG2 GLN A 17 -16.698 1.039 4.019 1.00 0.56 H new ATOM 0 HG3 GLN A 17 -17.750 1.558 5.322 1.00 0.56 H new ATOM 0 HE21 GLN A 17 -15.203 1.992 5.738 1.00 0.53 H new ATOM 0 HE22 GLN A 17 -14.509 0.853 6.896 1.00 0.53 H new ATOM 174 N THR A 18 -17.696 -0.201 1.636 1.00 0.56 N ATOM 175 CA THR A 18 -17.178 0.434 0.413 1.00 0.55 C ATOM 176 C THR A 18 -17.417 1.953 0.424 1.00 0.57 C ATOM 177 O THR A 18 -17.921 2.518 1.399 1.00 0.58 O ATOM 178 CB THR A 18 -17.817 -0.277 -0.794 1.00 0.57 C ATOM 179 OG1 THR A 18 -17.213 0.222 -1.984 1.00 0.57 O ATOM 180 CG2 THR A 18 -19.343 -0.126 -0.870 1.00 0.62 C ATOM 0 H THR A 18 -18.663 0.045 1.845 1.00 0.56 H new ATOM 0 HA THR A 18 -16.096 0.323 0.350 1.00 0.55 H new ATOM 0 HB THR A 18 -17.635 -1.345 -0.676 1.00 0.57 H new ATOM 0 HG1 THR A 18 -17.899 0.629 -2.553 1.00 0.57 H new ATOM 0 HG21 THR A 18 -19.718 -0.654 -1.747 1.00 0.62 H new ATOM 0 HG22 THR A 18 -19.795 -0.547 0.028 1.00 0.62 H new ATOM 0 HG23 THR A 18 -19.601 0.930 -0.945 1.00 0.62 H new ATOM 188 N THR A 19 -17.142 2.589 -0.708 1.00 0.57 N ATOM 189 CA THR A 19 -17.290 4.034 -0.941 1.00 0.59 C ATOM 190 C THR A 19 -17.417 4.318 -2.449 1.00 0.61 C ATOM 191 O THR A 19 -16.915 3.574 -3.299 1.00 0.60 O ATOM 192 CB THR A 19 -16.086 4.789 -0.337 1.00 0.56 C ATOM 193 OG1 THR A 19 -15.998 4.514 1.065 1.00 0.55 O ATOM 194 CG2 THR A 19 -16.157 6.309 -0.505 1.00 0.58 C ATOM 0 H THR A 19 -16.794 2.096 -1.530 1.00 0.57 H new ATOM 0 HA THR A 19 -18.198 4.386 -0.452 1.00 0.59 H new ATOM 0 HB THR A 19 -15.213 4.433 -0.884 1.00 0.56 H new ATOM 0 HG1 THR A 19 -15.403 3.750 1.212 1.00 0.55 H new ATOM 0 HG21 THR A 19 -15.276 6.766 -0.055 1.00 0.58 H new ATOM 0 HG22 THR A 19 -16.192 6.557 -1.566 1.00 0.58 H new ATOM 0 HG23 THR A 19 -17.053 6.688 -0.014 1.00 0.58 H new ATOM 202 N GLN A 20 -18.103 5.416 -2.728 1.00 0.65 N ATOM 203 CA GLN A 20 -18.330 5.960 -4.070 1.00 0.68 C ATOM 204 C GLN A 20 -17.947 7.441 -4.165 1.00 0.68 C ATOM 205 O GLN A 20 -18.770 8.356 -4.208 1.00 0.72 O ATOM 206 CB GLN A 20 -19.771 5.692 -4.545 1.00 0.72 C ATOM 207 CG GLN A 20 -20.910 6.371 -3.774 1.00 0.75 C ATOM 208 CD GLN A 20 -21.077 5.929 -2.317 1.00 0.74 C ATOM 209 OE1 GLN A 20 -20.582 4.934 -1.815 1.00 0.71 O ATOM 210 NE2 GLN A 20 -21.869 6.679 -1.595 1.00 0.76 N ATOM 0 H GLN A 20 -18.538 5.981 -1.998 1.00 0.65 H new ATOM 0 HA GLN A 20 -17.665 5.432 -4.754 1.00 0.68 H new ATOM 0 HB2 GLN A 20 -19.843 5.997 -5.589 1.00 0.72 H new ATOM 0 HB3 GLN A 20 -19.940 4.616 -4.515 1.00 0.72 H new ATOM 0 HG2 GLN A 20 -20.745 7.448 -3.792 1.00 0.75 H new ATOM 0 HG3 GLN A 20 -21.845 6.183 -4.302 1.00 0.75 H new ATOM 0 HE21 GLN A 20 -22.290 7.514 -2.001 1.00 0.76 H new ATOM 0 HE22 GLN A 20 -22.065 6.428 -0.626 1.00 0.76 H new ATOM 219 N GLY A 21 -16.631 7.646 -4.141 1.00 0.65 N ATOM 220 CA GLY A 21 -16.103 8.993 -4.346 1.00 0.65 C ATOM 221 C GLY A 21 -15.983 9.314 -5.851 1.00 0.68 C ATOM 222 O GLY A 21 -16.201 8.426 -6.666 1.00 0.69 O ATOM 0 H GLY A 21 -15.930 6.921 -3.987 1.00 0.65 H new ATOM 0 HA2 GLY A 21 -16.757 9.721 -3.866 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -15.125 9.081 -3.872 1.00 0.65 H new ATOM 226 N VAL A 22 -15.477 10.461 -6.289 1.00 0.69 N ATOM 227 CA VAL A 22 -14.782 11.636 -5.682 1.00 0.68 C ATOM 228 C VAL A 22 -13.632 12.007 -6.643 1.00 0.67 C ATOM 229 O VAL A 22 -13.492 11.414 -7.709 1.00 0.68 O ATOM 230 CB VAL A 22 -14.266 11.458 -4.224 1.00 0.64 C ATOM 231 CG1 VAL A 22 -13.061 10.513 -4.070 1.00 0.60 C ATOM 232 CG2 VAL A 22 -14.077 12.786 -3.483 1.00 0.65 C ATOM 0 H VAL A 22 -15.556 10.637 -7.291 1.00 0.69 H new ATOM 0 HA VAL A 22 -15.518 12.432 -5.571 1.00 0.68 H new ATOM 0 HB VAL A 22 -15.082 10.937 -3.723 1.00 0.64 H new ATOM 0 HG11 VAL A 22 -12.776 10.455 -3.019 1.00 0.60 H new ATOM 0 HG12 VAL A 22 -13.330 9.519 -4.429 1.00 0.60 H new ATOM 0 HG13 VAL A 22 -12.223 10.895 -4.653 1.00 0.60 H new ATOM 0 HG21 VAL A 22 -13.716 12.591 -2.473 1.00 0.65 H new ATOM 0 HG22 VAL A 22 -13.351 13.400 -4.016 1.00 0.65 H new ATOM 0 HG23 VAL A 22 -15.030 13.313 -3.432 1.00 0.65 H new ATOM 242 N HIS A 23 -12.771 12.934 -6.238 1.00 0.66 N ATOM 243 CA HIS A 23 -11.584 13.289 -7.014 1.00 0.66 C ATOM 244 C HIS A 23 -10.307 12.969 -6.206 1.00 0.62 C ATOM 245 O HIS A 23 -10.282 13.206 -4.992 1.00 0.60 O ATOM 246 CB HIS A 23 -11.666 14.771 -7.398 1.00 0.69 C ATOM 247 CG HIS A 23 -10.613 15.148 -8.445 1.00 0.70 C ATOM 248 ND1 HIS A 23 -9.328 15.367 -8.191 1.00 0.68 N ATOM 249 CD2 HIS A 23 -10.808 15.346 -9.745 1.00 0.73 C ATOM 250 CE1 HIS A 23 -8.726 15.718 -9.324 1.00 0.70 C ATOM 251 NE2 HIS A 23 -9.643 15.705 -10.285 1.00 0.73 N ATOM 0 H HIS A 23 -12.873 13.458 -5.369 1.00 0.66 H new ATOM 0 HA HIS A 23 -11.540 12.700 -7.930 1.00 0.66 H new ATOM 0 HB2 HIS A 23 -12.660 14.991 -7.787 1.00 0.69 H new ATOM 0 HB3 HIS A 23 -11.529 15.385 -6.508 1.00 0.69 H new ATOM 0 HD2 HIS A 23 -11.745 15.236 -10.271 1.00 0.73 H new ATOM 0 HE1 HIS A 23 -7.682 15.968 -9.441 1.00 0.70 H new ATOM 0 HE2 HIS A 23 -9.483 15.931 -11.267 1.00 0.73 H new ATOM 259 N PRO A 24 -9.253 12.508 -6.901 1.00 0.61 N ATOM 260 CA PRO A 24 -7.910 12.264 -6.335 1.00 0.58 C ATOM 261 C PRO A 24 -7.368 13.461 -5.558 1.00 0.58 C ATOM 262 O PRO A 24 -6.495 13.286 -4.721 1.00 0.56 O ATOM 263 CB PRO A 24 -6.991 12.093 -7.536 1.00 0.60 C ATOM 264 CG PRO A 24 -7.903 11.512 -8.603 1.00 0.62 C ATOM 265 CD PRO A 24 -9.254 12.161 -8.339 1.00 0.64 C ATOM 0 HA PRO A 24 -7.961 11.411 -5.659 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -6.561 13.044 -7.850 1.00 0.60 H new ATOM 0 HB3 PRO A 24 -6.159 11.425 -7.313 1.00 0.60 H new ATOM 0 HG2 PRO A 24 -7.540 11.743 -9.605 1.00 0.62 H new ATOM 0 HG3 PRO A 24 -7.962 10.426 -8.527 1.00 0.62 H new ATOM 0 HD2 PRO A 24 -9.390 13.049 -8.957 1.00 0.64 H new ATOM 0 HD3 PRO A 24 -10.070 11.479 -8.577 1.00 0.64 H new ATOM 273 N LYS A 25 -7.886 14.656 -5.845 1.00 0.61 N ATOM 274 CA LYS A 25 -7.491 15.915 -5.199 1.00 0.61 C ATOM 275 C LYS A 25 -7.539 15.829 -3.663 1.00 0.59 C ATOM 276 O LYS A 25 -6.748 16.468 -2.978 1.00 0.59 O ATOM 277 CB LYS A 25 -8.426 17.022 -5.678 1.00 0.65 C ATOM 278 CG LYS A 25 -7.647 18.323 -5.865 1.00 0.67 C ATOM 279 CD LYS A 25 -8.522 19.470 -6.371 1.00 0.70 C ATOM 280 CE LYS A 25 -9.503 19.958 -5.304 1.00 0.71 C ATOM 281 NZ LYS A 25 -9.423 21.418 -5.185 1.00 0.74 N ATOM 0 H LYS A 25 -8.611 14.782 -6.551 1.00 0.61 H new ATOM 0 HA LYS A 25 -6.458 16.127 -5.476 1.00 0.61 H new ATOM 0 HB2 LYS A 25 -8.895 16.731 -6.618 1.00 0.65 H new ATOM 0 HB3 LYS A 25 -9.228 17.170 -4.955 1.00 0.65 H new ATOM 0 HG2 LYS A 25 -7.194 18.609 -4.916 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -6.832 18.155 -6.570 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -7.887 20.298 -6.685 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -9.077 19.142 -7.250 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -10.518 19.661 -5.567 1.00 0.71 H new ATOM 0 HE3 LYS A 25 -9.273 19.493 -4.345 1.00 0.71 H new ATOM 0 HZ1 LYS A 25 -10.092 21.744 -4.458 1.00 0.74 H new ATOM 0 HZ2 LYS A 25 -8.457 21.692 -4.914 1.00 0.74 H new ATOM 0 HZ3 LYS A 25 -9.664 21.854 -6.098 1.00 0.74 H new ATOM 295 N MET A 26 -8.430 14.972 -3.161 1.00 0.58 N ATOM 296 CA MET A 26 -8.558 14.689 -1.719 1.00 0.58 C ATOM 297 C MET A 26 -7.637 13.558 -1.230 1.00 0.54 C ATOM 298 O MET A 26 -7.377 13.417 -0.032 1.00 0.54 O ATOM 299 CB MET A 26 -10.019 14.388 -1.377 1.00 0.59 C ATOM 300 CG MET A 26 -10.931 15.605 -1.586 1.00 0.67 C ATOM 301 SD MET A 26 -10.517 17.052 -0.539 1.00 0.79 S ATOM 302 CE MET A 26 -9.548 18.047 -1.656 1.00 1.08 C ATOM 0 H MET A 26 -9.088 14.450 -3.740 1.00 0.58 H new ATOM 0 HA MET A 26 -8.232 15.585 -1.191 1.00 0.58 H new ATOM 0 HB2 MET A 26 -10.372 13.563 -1.995 1.00 0.59 H new ATOM 0 HB3 MET A 26 -10.087 14.060 -0.340 1.00 0.59 H new ATOM 0 HG2 MET A 26 -10.883 15.904 -2.633 1.00 0.67 H new ATOM 0 HG3 MET A 26 -11.961 15.310 -1.386 1.00 0.67 H new ATOM 0 HE1 MET A 26 -8.521 18.105 -1.295 1.00 1.08 H new ATOM 0 HE2 MET A 26 -9.559 17.596 -2.648 1.00 1.08 H new ATOM 0 HE3 MET A 26 -9.971 19.050 -1.709 1.00 1.08 H new ATOM 312 N ILE A 27 -7.160 12.731 -2.156 1.00 0.52 N ATOM 313 CA ILE A 27 -6.293 11.600 -1.807 1.00 0.50 C ATOM 314 C ILE A 27 -4.811 11.973 -1.912 1.00 0.51 C ATOM 315 O ILE A 27 -4.407 12.688 -2.828 1.00 0.58 O ATOM 316 CB ILE A 27 -6.576 10.382 -2.719 1.00 0.53 C ATOM 317 CG1 ILE A 27 -8.082 10.101 -2.795 1.00 0.56 C ATOM 318 CG2 ILE A 27 -5.828 9.151 -2.225 1.00 0.54 C ATOM 319 CD1 ILE A 27 -8.712 9.737 -1.466 1.00 0.57 C ATOM 0 H ILE A 27 -7.356 12.819 -3.153 1.00 0.52 H new ATOM 0 HA ILE A 27 -6.517 11.337 -0.773 1.00 0.50 H new ATOM 0 HB ILE A 27 -6.219 10.619 -3.721 1.00 0.53 H new ATOM 0 HG12 ILE A 27 -8.585 10.982 -3.194 1.00 0.56 H new ATOM 0 HG13 ILE A 27 -8.254 9.288 -3.501 1.00 0.56 H new ATOM 0 HG21 ILE A 27 -6.042 8.307 -2.881 1.00 0.54 H new ATOM 0 HG22 ILE A 27 -4.756 9.351 -2.228 1.00 0.54 H new ATOM 0 HG23 ILE A 27 -6.149 8.913 -1.211 1.00 0.54 H new ATOM 0 HD11 ILE A 27 -9.777 9.554 -1.606 1.00 0.57 H new ATOM 0 HD12 ILE A 27 -8.238 8.838 -1.073 1.00 0.57 H new ATOM 0 HD13 ILE A 27 -8.575 10.557 -0.761 1.00 0.57 H new ATOM 331 N SER A 28 -4.001 11.480 -0.968 1.00 0.49 N ATOM 332 CA SER A 28 -2.569 11.761 -0.961 1.00 0.54 C ATOM 333 C SER A 28 -1.757 10.514 -0.583 1.00 0.55 C ATOM 334 O SER A 28 -0.532 10.569 -0.490 1.00 0.69 O ATOM 335 CB SER A 28 -2.259 12.901 0.013 1.00 0.61 C ATOM 336 OG SER A 28 -2.916 14.097 -0.375 1.00 0.69 O ATOM 0 H SER A 28 -4.317 10.885 -0.202 1.00 0.49 H new ATOM 0 HA SER A 28 -2.282 12.060 -1.969 1.00 0.54 H new ATOM 0 HB2 SER A 28 -2.573 12.620 1.018 1.00 0.61 H new ATOM 0 HB3 SER A 28 -1.183 13.069 0.050 1.00 0.61 H new ATOM 0 HG SER A 28 -2.703 14.809 0.264 1.00 0.69 H new ATOM 342 N ASN A 29 -2.448 9.392 -0.372 1.00 0.51 N ATOM 343 CA ASN A 29 -1.795 8.134 -0.003 1.00 0.51 C ATOM 344 C ASN A 29 -2.662 6.941 -0.408 1.00 0.50 C ATOM 345 O ASN A 29 -3.860 6.911 -0.123 1.00 0.51 O ATOM 346 CB ASN A 29 -1.524 8.109 1.509 1.00 0.54 C ATOM 347 CG ASN A 29 -1.165 6.730 2.036 1.00 0.57 C ATOM 348 OD1 ASN A 29 -0.259 6.069 1.529 1.00 0.64 O ATOM 349 ND2 ASN A 29 -1.880 6.289 3.061 1.00 0.78 N ATOM 0 H ASN A 29 -3.463 9.329 -0.451 1.00 0.51 H new ATOM 0 HA ASN A 29 -0.846 8.063 -0.534 1.00 0.51 H new ATOM 0 HB2 ASN A 29 -0.712 8.799 1.736 1.00 0.54 H new ATOM 0 HB3 ASN A 29 -2.407 8.472 2.035 1.00 0.54 H new ATOM 0 HD21 ASN A 29 -1.688 5.370 3.459 1.00 0.78 H new ATOM 0 HD22 ASN A 29 -2.623 6.869 3.452 1.00 0.78 H new ATOM 356 N LEU A 30 -2.054 5.960 -1.077 1.00 0.54 N ATOM 357 CA LEU A 30 -2.783 4.773 -1.518 1.00 0.56 C ATOM 358 C LEU A 30 -2.112 3.493 -1.027 1.00 0.57 C ATOM 359 O LEU A 30 -0.949 3.234 -1.326 1.00 0.74 O ATOM 360 CB LEU A 30 -2.897 4.754 -3.047 1.00 0.60 C ATOM 361 CG LEU A 30 -3.709 3.594 -3.635 1.00 0.67 C ATOM 362 CD1 LEU A 30 -5.190 3.760 -3.325 1.00 0.69 C ATOM 363 CD2 LEU A 30 -3.488 3.495 -5.137 1.00 0.73 C ATOM 0 H LEU A 30 -1.064 5.965 -1.324 1.00 0.54 H new ATOM 0 HA LEU A 30 -3.783 4.818 -1.086 1.00 0.56 H new ATOM 0 HB2 LEU A 30 -3.348 5.692 -3.372 1.00 0.60 H new ATOM 0 HB3 LEU A 30 -1.892 4.721 -3.468 1.00 0.60 H new ATOM 0 HG LEU A 30 -3.365 2.669 -3.173 1.00 0.67 H new ATOM 0 HD11 LEU A 30 -5.747 2.926 -3.752 1.00 0.69 H new ATOM 0 HD12 LEU A 30 -5.336 3.779 -2.245 1.00 0.69 H new ATOM 0 HD13 LEU A 30 -5.549 4.694 -3.756 1.00 0.69 H new ATOM 0 HD21 LEU A 30 -4.072 2.666 -5.537 1.00 0.73 H new ATOM 0 HD22 LEU A 30 -3.803 4.424 -5.613 1.00 0.73 H new ATOM 0 HD23 LEU A 30 -2.431 3.324 -5.339 1.00 0.73 H new ATOM 375 N GLN A 31 -2.861 2.693 -0.270 1.00 0.50 N ATOM 376 CA GLN A 31 -2.349 1.435 0.262 1.00 0.51 C ATOM 377 C GLN A 31 -3.006 0.248 -0.441 1.00 0.52 C ATOM 378 O GLN A 31 -4.231 0.121 -0.452 1.00 0.61 O ATOM 379 CB GLN A 31 -2.594 1.349 1.773 1.00 0.54 C ATOM 380 CG GLN A 31 -2.210 2.611 2.536 1.00 0.61 C ATOM 381 CD GLN A 31 -3.411 3.460 2.911 1.00 0.84 C ATOM 382 OE1 GLN A 31 -3.876 4.283 2.124 1.00 1.16 O ATOM 383 NE2 GLN A 31 -3.917 3.269 4.125 1.00 1.16 N ATOM 0 H GLN A 31 -3.827 2.896 -0.012 1.00 0.50 H new ATOM 0 HA GLN A 31 -1.275 1.401 0.078 1.00 0.51 H new ATOM 0 HB2 GLN A 31 -3.649 1.138 1.948 1.00 0.54 H new ATOM 0 HB3 GLN A 31 -2.029 0.508 2.175 1.00 0.54 H new ATOM 0 HG2 GLN A 31 -1.671 2.333 3.441 1.00 0.61 H new ATOM 0 HG3 GLN A 31 -1.527 3.204 1.928 1.00 0.61 H new ATOM 0 HE21 GLN A 31 -3.501 2.576 4.747 1.00 1.16 H new ATOM 0 HE22 GLN A 31 -4.721 3.815 4.434 1.00 1.16 H new ATOM 392 N VAL A 32 -2.183 -0.617 -1.028 1.00 0.49 N ATOM 393 CA VAL A 32 -2.678 -1.792 -1.740 1.00 0.51 C ATOM 394 C VAL A 32 -2.560 -3.043 -0.874 1.00 0.50 C ATOM 395 O VAL A 32 -1.461 -3.449 -0.498 1.00 0.61 O ATOM 396 CB VAL A 32 -1.912 -2.018 -3.064 1.00 0.56 C ATOM 397 CG1 VAL A 32 -2.584 -3.101 -3.899 1.00 0.62 C ATOM 398 CG2 VAL A 32 -1.805 -0.721 -3.853 1.00 0.59 C ATOM 0 H VAL A 32 -1.167 -0.526 -1.024 1.00 0.49 H new ATOM 0 HA VAL A 32 -3.727 -1.606 -1.969 1.00 0.51 H new ATOM 0 HB VAL A 32 -0.904 -2.353 -2.819 1.00 0.56 H new ATOM 0 HG11 VAL A 32 -2.028 -3.243 -4.826 1.00 0.62 H new ATOM 0 HG12 VAL A 32 -2.600 -4.036 -3.338 1.00 0.62 H new ATOM 0 HG13 VAL A 32 -3.606 -2.800 -4.131 1.00 0.62 H new ATOM 0 HG21 VAL A 32 -1.262 -0.903 -4.781 1.00 0.59 H new ATOM 0 HG22 VAL A 32 -2.804 -0.352 -4.084 1.00 0.59 H new ATOM 0 HG23 VAL A 32 -1.271 0.022 -3.261 1.00 0.59 H new ATOM 408 N PHE A 33 -3.700 -3.651 -0.565 1.00 0.48 N ATOM 409 CA PHE A 33 -3.729 -4.860 0.253 1.00 0.49 C ATOM 410 C PHE A 33 -4.028 -6.085 -0.606 1.00 0.52 C ATOM 411 O PHE A 33 -5.041 -6.127 -1.306 1.00 0.57 O ATOM 412 CB PHE A 33 -4.782 -4.734 1.359 1.00 0.52 C ATOM 413 CG PHE A 33 -4.321 -3.953 2.560 1.00 0.53 C ATOM 414 CD1 PHE A 33 -4.307 -2.567 2.546 1.00 0.60 C ATOM 415 CD2 PHE A 33 -3.907 -4.611 3.708 1.00 0.63 C ATOM 416 CE1 PHE A 33 -3.892 -1.853 3.654 1.00 0.68 C ATOM 417 CE2 PHE A 33 -3.491 -3.902 4.818 1.00 0.73 C ATOM 418 CZ PHE A 33 -3.481 -2.521 4.791 1.00 0.72 C ATOM 0 H PHE A 33 -4.618 -3.327 -0.869 1.00 0.48 H new ATOM 0 HA PHE A 33 -2.747 -4.982 0.710 1.00 0.49 H new ATOM 0 HB2 PHE A 33 -5.671 -4.256 0.947 1.00 0.52 H new ATOM 0 HB3 PHE A 33 -5.078 -5.733 1.680 1.00 0.52 H new ATOM 0 HD1 PHE A 33 -4.624 -2.039 1.659 1.00 0.60 H new ATOM 0 HD2 PHE A 33 -3.910 -5.691 3.735 1.00 0.63 H new ATOM 0 HE1 PHE A 33 -3.889 -0.773 3.631 1.00 0.68 H new ATOM 0 HE2 PHE A 33 -3.174 -4.427 5.707 1.00 0.73 H new ATOM 0 HZ PHE A 33 -3.153 -1.965 5.657 1.00 0.72 H new ATOM 428 N ALA A 34 -3.146 -7.081 -0.552 1.00 0.53 N ATOM 429 CA ALA A 34 -3.330 -8.303 -1.330 1.00 0.58 C ATOM 430 C ALA A 34 -4.121 -9.352 -0.547 1.00 0.58 C ATOM 431 O ALA A 34 -4.845 -9.026 0.396 1.00 0.62 O ATOM 432 CB ALA A 34 -1.981 -8.863 -1.762 1.00 0.66 C ATOM 0 H ALA A 34 -2.301 -7.066 0.019 1.00 0.53 H new ATOM 0 HA ALA A 34 -3.908 -8.050 -2.219 1.00 0.58 H new ATOM 0 HB1 ALA A 34 -2.134 -9.774 -2.341 1.00 0.66 H new ATOM 0 HB2 ALA A 34 -1.461 -8.127 -2.374 1.00 0.66 H new ATOM 0 HB3 ALA A 34 -1.382 -9.090 -0.880 1.00 0.66 H new ATOM 438 N ILE A 35 -3.981 -10.612 -0.954 1.00 0.63 N ATOM 439 CA ILE A 35 -4.676 -11.718 -0.306 1.00 0.65 C ATOM 440 C ILE A 35 -3.994 -12.106 1.007 1.00 0.62 C ATOM 441 O ILE A 35 -2.790 -12.374 1.036 1.00 0.68 O ATOM 442 CB ILE A 35 -4.741 -12.947 -1.243 1.00 0.77 C ATOM 443 CG1 ILE A 35 -5.411 -12.566 -2.567 1.00 0.91 C ATOM 444 CG2 ILE A 35 -5.486 -14.096 -0.574 1.00 0.80 C ATOM 445 CD1 ILE A 35 -5.370 -13.664 -3.608 1.00 1.14 C ATOM 0 H ILE A 35 -3.388 -10.892 -1.735 1.00 0.63 H new ATOM 0 HA ILE A 35 -5.690 -11.384 -0.085 1.00 0.65 H new ATOM 0 HB ILE A 35 -3.724 -13.280 -1.451 1.00 0.77 H new ATOM 0 HG12 ILE A 35 -6.450 -12.299 -2.374 1.00 0.91 H new ATOM 0 HG13 ILE A 35 -4.923 -11.678 -2.969 1.00 0.91 H new ATOM 0 HG21 ILE A 35 -5.520 -14.950 -1.250 1.00 0.80 H new ATOM 0 HG22 ILE A 35 -4.970 -14.380 0.343 1.00 0.80 H new ATOM 0 HG23 ILE A 35 -6.502 -13.781 -0.336 1.00 0.80 H new ATOM 0 HD11 ILE A 35 -5.863 -13.321 -4.518 1.00 1.14 H new ATOM 0 HD12 ILE A 35 -4.333 -13.916 -3.830 1.00 1.14 H new ATOM 0 HD13 ILE A 35 -5.884 -14.546 -3.227 1.00 1.14 H new ATOM 457 N GLY A 36 -4.770 -12.133 2.087 1.00 0.61 N ATOM 458 CA GLY A 36 -4.226 -12.482 3.387 1.00 0.63 C ATOM 459 C GLY A 36 -5.023 -13.568 4.089 1.00 0.65 C ATOM 460 O GLY A 36 -5.895 -14.190 3.480 1.00 0.66 O ATOM 0 H GLY A 36 -5.767 -11.919 2.084 1.00 0.61 H new ATOM 0 HA2 GLY A 36 -3.195 -12.815 3.266 1.00 0.63 H new ATOM 0 HA3 GLY A 36 -4.202 -11.592 4.016 1.00 0.63 H new ATOM 464 N PRO A 37 -4.740 -13.820 5.382 1.00 0.69 N ATOM 465 CA PRO A 37 -5.435 -14.839 6.178 1.00 0.74 C ATOM 466 C PRO A 37 -6.821 -14.387 6.633 1.00 0.72 C ATOM 467 O PRO A 37 -7.614 -15.186 7.133 1.00 0.77 O ATOM 468 CB PRO A 37 -4.516 -15.035 7.398 1.00 0.81 C ATOM 469 CG PRO A 37 -3.291 -14.218 7.133 1.00 0.79 C ATOM 470 CD PRO A 37 -3.705 -13.145 6.173 1.00 0.71 C ATOM 0 HA PRO A 37 -5.606 -15.748 5.601 1.00 0.74 H new ATOM 0 HB2 PRO A 37 -5.010 -14.710 8.314 1.00 0.81 H new ATOM 0 HB3 PRO A 37 -4.262 -16.087 7.529 1.00 0.81 H new ATOM 0 HG2 PRO A 37 -2.904 -13.786 8.056 1.00 0.79 H new ATOM 0 HG3 PRO A 37 -2.496 -14.833 6.711 1.00 0.79 H new ATOM 0 HD2 PRO A 37 -4.094 -12.266 6.687 1.00 0.71 H new ATOM 0 HD3 PRO A 37 -2.873 -12.810 5.554 1.00 0.71 H new ATOM 478 N GLN A 38 -7.107 -13.102 6.454 1.00 0.66 N ATOM 479 CA GLN A 38 -8.401 -12.532 6.858 1.00 0.65 C ATOM 480 C GLN A 38 -9.307 -12.193 5.662 1.00 0.61 C ATOM 481 O GLN A 38 -10.513 -12.020 5.817 1.00 0.62 O ATOM 482 CB GLN A 38 -8.153 -11.292 7.724 1.00 0.65 C ATOM 483 CG GLN A 38 -7.215 -10.261 7.087 1.00 0.60 C ATOM 484 CD GLN A 38 -7.114 -9.018 7.964 1.00 0.63 C ATOM 485 OE1 GLN A 38 -7.226 -9.056 9.177 1.00 0.73 O ATOM 486 NE2 GLN A 38 -6.838 -7.899 7.339 1.00 0.61 N ATOM 0 H GLN A 38 -6.465 -12.430 6.033 1.00 0.66 H new ATOM 0 HA GLN A 38 -8.935 -13.289 7.433 1.00 0.65 H new ATOM 0 HB2 GLN A 38 -9.109 -10.814 7.938 1.00 0.65 H new ATOM 0 HB3 GLN A 38 -7.734 -11.607 8.679 1.00 0.65 H new ATOM 0 HG2 GLN A 38 -6.226 -10.697 6.949 1.00 0.60 H new ATOM 0 HG3 GLN A 38 -7.584 -9.987 6.098 1.00 0.60 H new ATOM 0 HE21 GLN A 38 -6.749 -7.891 6.323 1.00 0.61 H new ATOM 0 HE22 GLN A 38 -6.712 -7.037 7.869 1.00 0.61 H new ATOM 495 N CYS A 39 -8.698 -12.032 4.492 1.00 0.57 N ATOM 496 CA CYS A 39 -9.442 -11.662 3.292 1.00 0.55 C ATOM 497 C CYS A 39 -8.928 -12.417 2.073 1.00 0.61 C ATOM 498 O CYS A 39 -7.729 -12.436 1.801 1.00 0.71 O ATOM 499 CB CYS A 39 -9.313 -10.151 3.065 1.00 0.49 C ATOM 500 SG CYS A 39 -10.742 -9.381 2.238 1.00 0.47 S ATOM 0 H CYS A 39 -7.695 -12.151 4.349 1.00 0.57 H new ATOM 0 HA CYS A 39 -10.490 -11.928 3.434 1.00 0.55 H new ATOM 0 HB2 CYS A 39 -9.162 -9.664 4.029 1.00 0.49 H new ATOM 0 HB3 CYS A 39 -8.420 -9.962 2.469 1.00 0.49 H new ATOM 505 N SER A 40 -9.846 -13.036 1.338 1.00 0.67 N ATOM 506 CA SER A 40 -9.490 -13.787 0.140 1.00 0.78 C ATOM 507 C SER A 40 -9.539 -12.887 -1.093 1.00 0.74 C ATOM 508 O SER A 40 -8.976 -13.215 -2.138 1.00 0.97 O ATOM 509 CB SER A 40 -10.435 -14.978 -0.034 1.00 0.92 C ATOM 510 OG SER A 40 -9.993 -15.837 -1.071 1.00 1.07 O ATOM 0 H SER A 40 -10.843 -13.032 1.552 1.00 0.67 H new ATOM 0 HA SER A 40 -8.472 -14.159 0.253 1.00 0.78 H new ATOM 0 HB2 SER A 40 -10.498 -15.535 0.901 1.00 0.92 H new ATOM 0 HB3 SER A 40 -11.439 -14.619 -0.259 1.00 0.92 H new ATOM 0 HG SER A 40 -10.614 -16.590 -1.159 1.00 1.07 H new ATOM 516 N LYS A 41 -10.216 -11.747 -0.957 1.00 0.72 N ATOM 517 CA LYS A 41 -10.347 -10.787 -2.048 1.00 0.69 C ATOM 518 C LYS A 41 -9.438 -9.580 -1.818 1.00 0.68 C ATOM 519 O LYS A 41 -9.209 -9.175 -0.679 1.00 0.70 O ATOM 520 CB LYS A 41 -11.807 -10.328 -2.169 1.00 0.68 C ATOM 521 CG LYS A 41 -12.044 -9.294 -3.261 1.00 0.77 C ATOM 522 CD LYS A 41 -13.485 -8.810 -3.268 1.00 0.88 C ATOM 523 CE LYS A 41 -13.686 -7.668 -4.252 1.00 1.07 C ATOM 524 NZ LYS A 41 -15.101 -7.209 -4.291 1.00 1.29 N ATOM 0 H LYS A 41 -10.684 -11.466 -0.095 1.00 0.72 H new ATOM 0 HA LYS A 41 -10.045 -11.274 -2.975 1.00 0.69 H new ATOM 0 HB2 LYS A 41 -12.435 -11.197 -2.364 1.00 0.68 H new ATOM 0 HB3 LYS A 41 -12.126 -9.912 -1.214 1.00 0.68 H new ATOM 0 HG2 LYS A 41 -11.375 -8.446 -3.112 1.00 0.77 H new ATOM 0 HG3 LYS A 41 -11.800 -9.726 -4.231 1.00 0.77 H new ATOM 0 HD2 LYS A 41 -14.146 -9.637 -3.529 1.00 0.88 H new ATOM 0 HD3 LYS A 41 -13.764 -8.482 -2.267 1.00 0.88 H new ATOM 0 HE2 LYS A 41 -13.042 -6.833 -3.976 1.00 1.07 H new ATOM 0 HE3 LYS A 41 -13.381 -7.990 -5.248 1.00 1.07 H new ATOM 0 HZ1 LYS A 41 -15.195 -6.430 -4.974 1.00 1.29 H new ATOM 0 HZ2 LYS A 41 -15.714 -7.998 -4.580 1.00 1.29 H new ATOM 0 HZ3 LYS A 41 -15.385 -6.878 -3.347 1.00 1.29 H new ATOM 538 N VAL A 42 -8.915 -9.019 -2.906 1.00 0.67 N ATOM 539 CA VAL A 42 -8.044 -7.853 -2.819 1.00 0.68 C ATOM 540 C VAL A 42 -8.866 -6.575 -2.655 1.00 0.67 C ATOM 541 O VAL A 42 -9.847 -6.353 -3.368 1.00 0.75 O ATOM 542 CB VAL A 42 -7.129 -7.727 -4.057 1.00 0.74 C ATOM 543 CG1 VAL A 42 -6.119 -8.864 -4.088 1.00 0.80 C ATOM 544 CG2 VAL A 42 -7.947 -7.704 -5.339 1.00 0.83 C ATOM 0 H VAL A 42 -9.080 -9.353 -3.855 1.00 0.67 H new ATOM 0 HA VAL A 42 -7.412 -7.990 -1.942 1.00 0.68 H new ATOM 0 HB VAL A 42 -6.588 -6.783 -3.985 1.00 0.74 H new ATOM 0 HG11 VAL A 42 -5.482 -8.761 -4.966 1.00 0.80 H new ATOM 0 HG12 VAL A 42 -5.505 -8.830 -3.188 1.00 0.80 H new ATOM 0 HG13 VAL A 42 -6.646 -9.817 -4.132 1.00 0.80 H new ATOM 0 HG21 VAL A 42 -7.279 -7.615 -6.195 1.00 0.83 H new ATOM 0 HG22 VAL A 42 -8.521 -8.627 -5.421 1.00 0.83 H new ATOM 0 HG23 VAL A 42 -8.629 -6.854 -5.320 1.00 0.83 H new ATOM 554 N GLU A 43 -8.468 -5.746 -1.697 1.00 0.60 N ATOM 555 CA GLU A 43 -9.173 -4.497 -1.427 1.00 0.59 C ATOM 556 C GLU A 43 -8.213 -3.314 -1.480 1.00 0.58 C ATOM 557 O GLU A 43 -7.059 -3.422 -1.066 1.00 0.63 O ATOM 558 CB GLU A 43 -9.858 -4.570 -0.060 1.00 0.60 C ATOM 559 CG GLU A 43 -10.678 -5.837 0.129 1.00 0.66 C ATOM 560 CD GLU A 43 -11.186 -6.007 1.544 1.00 0.70 C ATOM 561 OE1 GLU A 43 -10.390 -5.838 2.490 1.00 0.75 O ATOM 562 OE2 GLU A 43 -12.384 -6.323 1.704 1.00 0.79 O ATOM 0 H GLU A 43 -7.662 -5.915 -1.095 1.00 0.60 H new ATOM 0 HA GLU A 43 -9.932 -4.352 -2.195 1.00 0.59 H new ATOM 0 HB2 GLU A 43 -9.101 -4.514 0.722 1.00 0.60 H new ATOM 0 HB3 GLU A 43 -10.507 -3.703 0.061 1.00 0.60 H new ATOM 0 HG2 GLU A 43 -11.526 -5.820 -0.556 1.00 0.66 H new ATOM 0 HG3 GLU A 43 -10.069 -6.701 -0.139 1.00 0.66 H new ATOM 569 N VAL A 44 -8.696 -2.185 -1.993 1.00 0.55 N ATOM 570 CA VAL A 44 -7.866 -0.991 -2.107 1.00 0.56 C ATOM 571 C VAL A 44 -8.319 0.113 -1.153 1.00 0.54 C ATOM 572 O VAL A 44 -9.396 0.692 -1.300 1.00 0.57 O ATOM 573 CB VAL A 44 -7.827 -0.449 -3.554 1.00 0.60 C ATOM 574 CG1 VAL A 44 -6.944 -1.326 -4.428 1.00 0.66 C ATOM 575 CG2 VAL A 44 -9.227 -0.348 -4.144 1.00 0.64 C ATOM 0 H VAL A 44 -9.651 -2.073 -2.334 1.00 0.55 H new ATOM 0 HA VAL A 44 -6.858 -1.297 -1.827 1.00 0.56 H new ATOM 0 HB VAL A 44 -7.403 0.555 -3.524 1.00 0.60 H new ATOM 0 HG11 VAL A 44 -6.928 -0.929 -5.443 1.00 0.66 H new ATOM 0 HG12 VAL A 44 -5.931 -1.336 -4.027 1.00 0.66 H new ATOM 0 HG13 VAL A 44 -7.339 -2.342 -4.441 1.00 0.66 H new ATOM 0 HG21 VAL A 44 -9.166 0.036 -5.162 1.00 0.64 H new ATOM 0 HG22 VAL A 44 -9.689 -1.335 -4.156 1.00 0.64 H new ATOM 0 HG23 VAL A 44 -9.830 0.327 -3.537 1.00 0.64 H new ATOM 585 N VAL A 45 -7.480 0.384 -0.165 1.00 0.51 N ATOM 586 CA VAL A 45 -7.746 1.440 0.834 1.00 0.50 C ATOM 587 C VAL A 45 -6.960 2.727 0.497 1.00 0.51 C ATOM 588 O VAL A 45 -5.964 2.724 -0.228 1.00 0.54 O ATOM 589 CB VAL A 45 -7.512 0.957 2.286 1.00 0.51 C ATOM 590 CG1 VAL A 45 -7.797 -0.520 2.456 1.00 0.69 C ATOM 591 CG2 VAL A 45 -6.082 0.992 2.770 1.00 0.67 C ATOM 0 H VAL A 45 -6.599 -0.110 -0.022 1.00 0.51 H new ATOM 0 HA VAL A 45 -8.807 1.685 0.779 1.00 0.50 H new ATOM 0 HB VAL A 45 -8.163 1.643 2.827 1.00 0.51 H new ATOM 0 HG11 VAL A 45 -7.618 -0.808 3.492 1.00 0.69 H new ATOM 0 HG12 VAL A 45 -8.837 -0.722 2.198 1.00 0.69 H new ATOM 0 HG13 VAL A 45 -7.142 -1.095 1.801 1.00 0.69 H new ATOM 0 HG21 VAL A 45 -6.037 0.633 3.798 1.00 0.67 H new ATOM 0 HG22 VAL A 45 -5.467 0.354 2.135 1.00 0.67 H new ATOM 0 HG23 VAL A 45 -5.708 2.015 2.727 1.00 0.67 H new ATOM 601 N ALA A 46 -7.434 3.849 1.031 1.00 0.52 N ATOM 602 CA ALA A 46 -6.791 5.134 0.767 1.00 0.54 C ATOM 603 C ALA A 46 -6.951 6.109 1.929 1.00 0.55 C ATOM 604 O ALA A 46 -7.885 6.003 2.723 1.00 0.55 O ATOM 605 CB ALA A 46 -7.359 5.741 -0.509 1.00 0.58 C ATOM 0 H ALA A 46 -8.250 3.896 1.641 1.00 0.52 H new ATOM 0 HA ALA A 46 -5.724 4.950 0.645 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -6.877 6.699 -0.702 1.00 0.58 H new ATOM 0 HB2 ALA A 46 -7.175 5.067 -1.346 1.00 0.58 H new ATOM 0 HB3 ALA A 46 -8.432 5.892 -0.394 1.00 0.58 H new ATOM 611 N SER A 47 -6.025 7.057 2.018 1.00 0.57 N ATOM 612 CA SER A 47 -6.054 8.066 3.070 1.00 0.60 C ATOM 613 C SER A 47 -6.165 9.464 2.468 1.00 0.64 C ATOM 614 O SER A 47 -5.574 9.752 1.424 1.00 0.65 O ATOM 615 CB SER A 47 -4.798 7.974 3.934 1.00 0.63 C ATOM 616 OG SER A 47 -4.636 6.668 4.456 1.00 0.62 O ATOM 0 H SER A 47 -5.242 7.148 1.371 1.00 0.57 H new ATOM 0 HA SER A 47 -6.928 7.880 3.695 1.00 0.60 H new ATOM 0 HB2 SER A 47 -3.924 8.244 3.341 1.00 0.63 H new ATOM 0 HB3 SER A 47 -4.862 8.691 4.752 1.00 0.63 H new ATOM 0 HG SER A 47 -3.824 6.633 5.004 1.00 0.62 H new ATOM 622 N LEU A 48 -6.930 10.326 3.133 1.00 0.66 N ATOM 623 CA LEU A 48 -7.124 11.697 2.677 1.00 0.71 C ATOM 624 C LEU A 48 -6.095 12.630 3.305 1.00 0.74 C ATOM 625 O LEU A 48 -5.399 12.256 4.252 1.00 0.74 O ATOM 626 CB LEU A 48 -8.539 12.184 3.018 1.00 0.72 C ATOM 627 CG LEU A 48 -9.639 11.775 2.033 1.00 0.74 C ATOM 628 CD1 LEU A 48 -10.085 10.338 2.272 1.00 0.72 C ATOM 629 CD2 LEU A 48 -10.821 12.727 2.140 1.00 0.79 C ATOM 0 H LEU A 48 -7.427 10.096 3.993 1.00 0.66 H new ATOM 0 HA LEU A 48 -6.994 11.710 1.595 1.00 0.71 H new ATOM 0 HB2 LEU A 48 -8.804 11.808 4.006 1.00 0.72 H new ATOM 0 HB3 LEU A 48 -8.523 13.272 3.084 1.00 0.72 H new ATOM 0 HG LEU A 48 -9.231 11.834 1.024 1.00 0.74 H new ATOM 0 HD11 LEU A 48 -10.866 10.076 1.558 1.00 0.72 H new ATOM 0 HD12 LEU A 48 -9.236 9.667 2.143 1.00 0.72 H new ATOM 0 HD13 LEU A 48 -10.473 10.241 3.286 1.00 0.72 H new ATOM 0 HD21 LEU A 48 -11.596 12.426 1.435 1.00 0.79 H new ATOM 0 HD22 LEU A 48 -11.221 12.698 3.153 1.00 0.79 H new ATOM 0 HD23 LEU A 48 -10.494 13.741 1.908 1.00 0.79 H new ATOM 641 N LYS A 49 -6.008 13.850 2.773 1.00 0.80 N ATOM 642 CA LYS A 49 -5.074 14.855 3.279 1.00 0.86 C ATOM 643 C LYS A 49 -5.541 15.386 4.635 1.00 0.87 C ATOM 644 O LYS A 49 -4.745 15.900 5.422 1.00 0.93 O ATOM 645 CB LYS A 49 -4.939 16.006 2.269 1.00 0.94 C ATOM 646 CG LYS A 49 -3.985 17.116 2.704 1.00 1.01 C ATOM 647 CD LYS A 49 -2.564 16.606 2.900 1.00 1.07 C ATOM 648 CE LYS A 49 -1.661 17.676 3.499 1.00 1.20 C ATOM 649 NZ LYS A 49 -2.159 18.152 4.820 1.00 1.23 N ATOM 0 H LYS A 49 -6.577 14.166 1.988 1.00 0.80 H new ATOM 0 HA LYS A 49 -4.098 14.389 3.412 1.00 0.86 H new ATOM 0 HB2 LYS A 49 -4.596 15.600 1.317 1.00 0.94 H new ATOM 0 HB3 LYS A 49 -5.924 16.438 2.094 1.00 0.94 H new ATOM 0 HG2 LYS A 49 -3.985 17.908 1.955 1.00 1.01 H new ATOM 0 HG3 LYS A 49 -4.343 17.557 3.634 1.00 1.01 H new ATOM 0 HD2 LYS A 49 -2.577 15.733 3.553 1.00 1.07 H new ATOM 0 HD3 LYS A 49 -2.158 16.281 1.942 1.00 1.07 H new ATOM 0 HE2 LYS A 49 -0.653 17.277 3.614 1.00 1.20 H new ATOM 0 HE3 LYS A 49 -1.593 18.519 2.812 1.00 1.20 H new ATOM 0 HZ1 LYS A 49 -1.381 18.604 5.342 1.00 1.23 H new ATOM 0 HZ2 LYS A 49 -2.925 18.840 4.675 1.00 1.23 H new ATOM 0 HZ3 LYS A 49 -2.519 17.344 5.367 1.00 1.23 H new ATOM 663 N ASN A 50 -6.837 15.246 4.900 1.00 0.84 N ATOM 664 CA ASN A 50 -7.424 15.702 6.156 1.00 0.88 C ATOM 665 C ASN A 50 -7.041 14.773 7.307 1.00 0.84 C ATOM 666 O ASN A 50 -7.052 15.172 8.470 1.00 1.01 O ATOM 667 CB ASN A 50 -8.949 15.773 6.034 1.00 0.90 C ATOM 668 CG ASN A 50 -9.401 16.702 4.924 1.00 0.98 C ATOM 669 OD1 ASN A 50 -8.752 17.708 4.634 1.00 1.05 O ATOM 670 ND2 ASN A 50 -10.522 16.369 4.293 1.00 1.01 N ATOM 0 H ASN A 50 -7.504 14.818 4.258 1.00 0.84 H new ATOM 0 HA ASN A 50 -7.034 16.697 6.369 1.00 0.88 H new ATOM 0 HB2 ASN A 50 -9.342 14.773 5.849 1.00 0.90 H new ATOM 0 HB3 ASN A 50 -9.370 16.111 6.981 1.00 0.90 H new ATOM 0 HD21 ASN A 50 -10.875 16.956 3.537 1.00 1.01 H new ATOM 0 HD22 ASN A 50 -11.029 15.527 4.565 1.00 1.01 H new ATOM 677 N GLY A 51 -6.700 13.532 6.968 1.00 0.70 N ATOM 678 CA GLY A 51 -6.318 12.561 7.975 1.00 0.69 C ATOM 679 C GLY A 51 -7.379 11.501 8.193 1.00 0.64 C ATOM 680 O GLY A 51 -7.615 11.075 9.324 1.00 0.69 O ATOM 0 H GLY A 51 -6.682 13.182 6.010 1.00 0.70 H new ATOM 0 HA2 GLY A 51 -5.386 12.081 7.677 1.00 0.69 H new ATOM 0 HA3 GLY A 51 -6.125 13.076 8.916 1.00 0.69 H new ATOM 684 N LYS A 52 -8.022 11.078 7.108 1.00 0.60 N ATOM 685 CA LYS A 52 -9.067 10.061 7.184 1.00 0.57 C ATOM 686 C LYS A 52 -8.725 8.860 6.308 1.00 0.53 C ATOM 687 O LYS A 52 -7.889 8.952 5.414 1.00 0.62 O ATOM 688 CB LYS A 52 -10.417 10.644 6.760 1.00 0.62 C ATOM 689 CG LYS A 52 -10.997 11.636 7.757 1.00 0.70 C ATOM 690 CD LYS A 52 -12.360 12.149 7.314 1.00 0.86 C ATOM 691 CE LYS A 52 -13.412 11.047 7.333 1.00 0.96 C ATOM 692 NZ LYS A 52 -14.757 11.556 6.946 1.00 1.19 N ATOM 0 H LYS A 52 -7.838 11.423 6.166 1.00 0.60 H new ATOM 0 HA LYS A 52 -9.133 9.728 8.220 1.00 0.57 H new ATOM 0 HB2 LYS A 52 -10.302 11.138 5.795 1.00 0.62 H new ATOM 0 HB3 LYS A 52 -11.126 9.828 6.618 1.00 0.62 H new ATOM 0 HG2 LYS A 52 -11.087 11.160 8.733 1.00 0.70 H new ATOM 0 HG3 LYS A 52 -10.313 12.476 7.874 1.00 0.70 H new ATOM 0 HD2 LYS A 52 -12.673 12.962 7.969 1.00 0.86 H new ATOM 0 HD3 LYS A 52 -12.284 12.562 6.308 1.00 0.86 H new ATOM 0 HE2 LYS A 52 -13.115 10.250 6.651 1.00 0.96 H new ATOM 0 HE3 LYS A 52 -13.462 10.610 8.330 1.00 0.96 H new ATOM 0 HZ1 LYS A 52 -15.444 10.776 6.971 1.00 1.19 H new ATOM 0 HZ2 LYS A 52 -15.052 12.299 7.612 1.00 1.19 H new ATOM 0 HZ3 LYS A 52 -14.716 11.950 5.984 1.00 1.19 H new ATOM 706 N GLU A 53 -9.376 7.733 6.575 1.00 0.52 N ATOM 707 CA GLU A 53 -9.148 6.502 5.801 1.00 0.49 C ATOM 708 C GLU A 53 -10.493 5.872 5.415 1.00 0.49 C ATOM 709 O GLU A 53 -11.396 5.725 6.242 1.00 0.51 O ATOM 710 CB GLU A 53 -8.301 5.522 6.621 1.00 0.49 C ATOM 711 CG GLU A 53 -9.041 5.025 7.871 1.00 0.63 C ATOM 712 CD GLU A 53 -8.156 4.236 8.821 1.00 0.63 C ATOM 713 OE1 GLU A 53 -7.174 4.845 9.297 1.00 0.64 O ATOM 714 OE2 GLU A 53 -8.532 3.080 9.106 1.00 0.69 O ATOM 0 H GLU A 53 -10.067 7.639 7.320 1.00 0.52 H new ATOM 0 HA GLU A 53 -8.607 6.743 4.886 1.00 0.49 H new ATOM 0 HB2 GLU A 53 -8.029 4.670 5.998 1.00 0.49 H new ATOM 0 HB3 GLU A 53 -7.372 6.008 6.919 1.00 0.49 H new ATOM 0 HG2 GLU A 53 -9.459 5.881 8.401 1.00 0.63 H new ATOM 0 HG3 GLU A 53 -9.880 4.400 7.564 1.00 0.63 H new ATOM 721 N ILE A 54 -10.613 5.574 4.142 1.00 0.47 N ATOM 722 CA ILE A 54 -11.830 4.922 3.617 1.00 0.47 C ATOM 723 C ILE A 54 -11.444 3.671 2.815 1.00 0.45 C ATOM 724 O ILE A 54 -10.263 3.382 2.601 1.00 0.43 O ATOM 725 CB ILE A 54 -12.678 5.918 2.807 1.00 0.49 C ATOM 726 CG1 ILE A 54 -11.913 6.424 1.571 1.00 0.48 C ATOM 727 CG2 ILE A 54 -13.188 7.052 3.717 1.00 0.53 C ATOM 728 CD1 ILE A 54 -12.740 7.283 0.610 1.00 0.51 C ATOM 0 H ILE A 54 -9.898 5.764 3.440 1.00 0.47 H new ATOM 0 HA ILE A 54 -12.457 4.594 4.446 1.00 0.47 H new ATOM 0 HB ILE A 54 -13.559 5.405 2.421 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -11.053 7.004 1.906 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -11.524 5.564 1.025 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -13.786 7.749 3.130 1.00 0.53 H new ATOM 0 HG22 ILE A 54 -13.800 6.631 4.515 1.00 0.53 H new ATOM 0 HG23 ILE A 54 -12.339 7.580 4.151 1.00 0.53 H new ATOM 0 HD11 ILE A 54 -12.117 7.593 -0.229 1.00 0.51 H new ATOM 0 HD12 ILE A 54 -13.586 6.703 0.240 1.00 0.51 H new ATOM 0 HD13 ILE A 54 -13.107 8.165 1.134 1.00 0.51 H new ATOM 740 N CYS A 55 -12.473 3.007 2.308 1.00 0.46 N ATOM 741 CA CYS A 55 -12.307 1.816 1.466 1.00 0.44 C ATOM 742 C CYS A 55 -13.083 2.004 0.172 1.00 0.46 C ATOM 743 O CYS A 55 -14.239 2.421 0.164 1.00 0.49 O ATOM 744 CB CYS A 55 -12.849 0.588 2.184 1.00 0.45 C ATOM 745 SG CYS A 55 -11.854 0.086 3.634 1.00 0.43 S ATOM 0 H CYS A 55 -13.446 3.272 2.464 1.00 0.46 H new ATOM 0 HA CYS A 55 -11.247 1.677 1.256 1.00 0.44 H new ATOM 0 HB2 CYS A 55 -13.871 0.788 2.507 1.00 0.45 H new ATOM 0 HB3 CYS A 55 -12.894 -0.243 1.480 1.00 0.45 H new ATOM 750 N LEU A 56 -12.443 1.595 -0.901 1.00 0.46 N ATOM 751 CA LEU A 56 -13.024 1.726 -2.234 1.00 0.49 C ATOM 752 C LEU A 56 -13.294 0.325 -2.791 1.00 0.50 C ATOM 753 O LEU A 56 -12.608 -0.645 -2.452 1.00 0.48 O ATOM 754 CB LEU A 56 -11.988 2.541 -3.022 1.00 0.49 C ATOM 755 CG LEU A 56 -11.643 3.947 -2.514 1.00 0.48 C ATOM 756 CD1 LEU A 56 -10.776 4.649 -3.559 1.00 0.49 C ATOM 757 CD2 LEU A 56 -12.881 4.792 -2.205 1.00 0.51 C ATOM 0 H LEU A 56 -11.517 1.167 -0.884 1.00 0.46 H new ATOM 0 HA LEU A 56 -13.987 2.235 -2.273 1.00 0.49 H new ATOM 0 HB2 LEU A 56 -11.065 1.963 -3.058 1.00 0.49 H new ATOM 0 HB3 LEU A 56 -12.346 2.634 -4.047 1.00 0.49 H new ATOM 0 HG LEU A 56 -11.103 3.837 -1.573 1.00 0.48 H new ATOM 0 HD11 LEU A 56 -10.524 5.650 -3.209 1.00 0.49 H new ATOM 0 HD12 LEU A 56 -9.861 4.078 -3.715 1.00 0.49 H new ATOM 0 HD13 LEU A 56 -11.324 4.720 -4.498 1.00 0.49 H new ATOM 0 HD21 LEU A 56 -12.571 5.775 -1.850 1.00 0.51 H new ATOM 0 HD22 LEU A 56 -13.480 4.905 -3.109 1.00 0.51 H new ATOM 0 HD23 LEU A 56 -13.475 4.299 -1.436 1.00 0.51 H new ATOM 769 N ASP A 57 -14.294 0.204 -3.657 1.00 0.53 N ATOM 770 CA ASP A 57 -14.611 -1.083 -4.270 1.00 0.54 C ATOM 771 C ASP A 57 -13.990 -1.171 -5.662 1.00 0.57 C ATOM 772 O ASP A 57 -14.374 -0.423 -6.563 1.00 0.62 O ATOM 773 CB ASP A 57 -16.123 -1.285 -4.363 1.00 0.59 C ATOM 774 CG ASP A 57 -16.519 -2.740 -4.201 1.00 0.60 C ATOM 775 OD1 ASP A 57 -16.081 -3.571 -5.025 1.00 0.62 O ATOM 776 OD2 ASP A 57 -17.263 -3.050 -3.249 1.00 0.67 O ATOM 0 H ASP A 57 -14.896 0.974 -3.949 1.00 0.53 H new ATOM 0 HA ASP A 57 -14.195 -1.870 -3.641 1.00 0.54 H new ATOM 0 HB2 ASP A 57 -16.615 -0.689 -3.595 1.00 0.59 H new ATOM 0 HB3 ASP A 57 -16.478 -0.919 -5.326 1.00 0.59 H new ATOM 781 N PRO A 58 -13.028 -2.099 -5.865 1.00 0.58 N ATOM 782 CA PRO A 58 -12.344 -2.275 -7.160 1.00 0.64 C ATOM 783 C PRO A 58 -13.271 -2.766 -8.268 1.00 0.73 C ATOM 784 O PRO A 58 -12.874 -2.846 -9.432 1.00 0.86 O ATOM 785 CB PRO A 58 -11.275 -3.339 -6.873 1.00 0.68 C ATOM 786 CG PRO A 58 -11.187 -3.443 -5.390 1.00 0.63 C ATOM 787 CD PRO A 58 -12.533 -3.052 -4.857 1.00 0.59 C ATOM 0 HA PRO A 58 -11.946 -1.326 -7.519 1.00 0.64 H new ATOM 0 HB2 PRO A 58 -11.549 -4.297 -7.316 1.00 0.68 H new ATOM 0 HB3 PRO A 58 -10.315 -3.053 -7.302 1.00 0.68 H new ATOM 0 HG2 PRO A 58 -10.929 -4.458 -5.087 1.00 0.63 H new ATOM 0 HG3 PRO A 58 -10.409 -2.786 -5.000 1.00 0.63 H new ATOM 0 HD2 PRO A 58 -13.193 -3.914 -4.759 1.00 0.59 H new ATOM 0 HD3 PRO A 58 -12.458 -2.593 -3.871 1.00 0.59 H new ATOM 795 N GLU A 59 -14.504 -3.089 -7.900 1.00 0.69 N ATOM 796 CA GLU A 59 -15.491 -3.572 -8.851 1.00 0.81 C ATOM 797 C GLU A 59 -16.101 -2.415 -9.644 1.00 0.87 C ATOM 798 O GLU A 59 -16.773 -2.631 -10.655 1.00 0.96 O ATOM 799 CB GLU A 59 -16.586 -4.347 -8.110 1.00 0.84 C ATOM 800 CG GLU A 59 -17.538 -5.108 -9.024 1.00 1.11 C ATOM 801 CD GLU A 59 -18.605 -5.857 -8.249 1.00 1.18 C ATOM 802 OE1 GLU A 59 -18.315 -6.978 -7.784 1.00 1.29 O ATOM 803 OE2 GLU A 59 -19.721 -5.319 -8.104 1.00 1.35 O ATOM 0 H GLU A 59 -14.844 -3.024 -6.941 1.00 0.69 H new ATOM 0 HA GLU A 59 -14.996 -4.237 -9.558 1.00 0.81 H new ATOM 0 HB2 GLU A 59 -16.116 -5.052 -7.425 1.00 0.84 H new ATOM 0 HB3 GLU A 59 -17.163 -3.649 -7.503 1.00 0.84 H new ATOM 0 HG2 GLU A 59 -18.015 -4.409 -9.711 1.00 1.11 H new ATOM 0 HG3 GLU A 59 -16.970 -5.814 -9.630 1.00 1.11 H new ATOM 810 N ALA A 60 -15.858 -1.180 -9.197 1.00 0.84 N ATOM 811 CA ALA A 60 -16.412 -0.022 -9.903 1.00 0.92 C ATOM 812 C ALA A 60 -15.359 0.599 -10.843 1.00 0.95 C ATOM 813 O ALA A 60 -14.232 0.871 -10.416 1.00 0.92 O ATOM 814 CB ALA A 60 -16.899 0.976 -8.856 1.00 0.91 C ATOM 0 H ALA A 60 -15.298 -0.959 -8.374 1.00 0.84 H new ATOM 0 HA ALA A 60 -17.249 -0.322 -10.533 1.00 0.92 H new ATOM 0 HB1 ALA A 60 -17.318 1.851 -9.354 1.00 0.91 H new ATOM 0 HB2 ALA A 60 -17.665 0.509 -8.237 1.00 0.91 H new ATOM 0 HB3 ALA A 60 -16.062 1.282 -8.228 1.00 0.91 H new ATOM 820 N PRO A 61 -15.766 0.925 -12.076 1.00 1.04 N ATOM 821 CA PRO A 61 -14.873 1.504 -13.102 1.00 1.08 C ATOM 822 C PRO A 61 -14.351 2.900 -12.739 1.00 1.06 C ATOM 823 O PRO A 61 -13.146 3.138 -12.781 1.00 1.05 O ATOM 824 CB PRO A 61 -15.717 1.528 -14.378 1.00 1.20 C ATOM 825 CG PRO A 61 -17.147 1.682 -13.856 1.00 1.24 C ATOM 826 CD PRO A 61 -17.147 0.831 -12.588 1.00 1.13 C ATOM 0 HA PRO A 61 -13.966 0.910 -13.210 1.00 1.08 H new ATOM 0 HB2 PRO A 61 -15.436 2.355 -15.030 1.00 1.20 H new ATOM 0 HB3 PRO A 61 -15.597 0.612 -14.956 1.00 1.20 H new ATOM 0 HG2 PRO A 61 -17.388 2.723 -13.642 1.00 1.24 H new ATOM 0 HG3 PRO A 61 -17.881 1.327 -14.580 1.00 1.24 H new ATOM 0 HD2 PRO A 61 -17.866 1.205 -11.859 1.00 1.13 H new ATOM 0 HD3 PRO A 61 -17.420 -0.202 -12.804 1.00 1.13 H new ATOM 834 N PHE A 62 -15.237 3.739 -12.193 1.00 1.08 N ATOM 835 CA PHE A 62 -14.874 5.096 -11.728 1.00 1.08 C ATOM 836 C PHE A 62 -13.815 5.053 -10.622 1.00 0.97 C ATOM 837 O PHE A 62 -12.993 5.955 -10.490 1.00 0.97 O ATOM 838 CB PHE A 62 -16.104 5.866 -11.233 1.00 1.15 C ATOM 839 CG PHE A 62 -16.757 5.237 -10.001 1.00 1.13 C ATOM 840 CD1 PHE A 62 -16.324 5.590 -8.729 1.00 1.08 C ATOM 841 CD2 PHE A 62 -17.801 4.337 -10.162 1.00 1.18 C ATOM 842 CE1 PHE A 62 -16.940 5.046 -7.613 1.00 1.10 C ATOM 843 CE2 PHE A 62 -18.426 3.805 -9.043 1.00 1.19 C ATOM 844 CZ PHE A 62 -17.990 4.152 -7.773 1.00 1.15 C ATOM 0 H PHE A 62 -16.221 3.506 -12.058 1.00 1.08 H new ATOM 0 HA PHE A 62 -14.455 5.618 -12.588 1.00 1.08 H new ATOM 0 HB2 PHE A 62 -15.813 6.890 -10.998 1.00 1.15 H new ATOM 0 HB3 PHE A 62 -16.838 5.920 -12.037 1.00 1.15 H new ATOM 0 HD1 PHE A 62 -15.508 6.288 -8.610 1.00 1.08 H new ATOM 0 HD2 PHE A 62 -18.125 4.052 -11.152 1.00 1.18 H new ATOM 0 HE1 PHE A 62 -16.604 5.317 -6.623 1.00 1.10 H new ATOM 0 HE2 PHE A 62 -19.253 3.120 -9.161 1.00 1.19 H new ATOM 0 HZ PHE A 62 -18.469 3.725 -6.905 1.00 1.15 H new ATOM 854 N LEU A 63 -13.788 3.946 -9.903 1.00 0.89 N ATOM 855 CA LEU A 63 -12.824 3.750 -8.844 1.00 0.79 C ATOM 856 C LEU A 63 -11.441 3.460 -9.422 1.00 0.80 C ATOM 857 O LEU A 63 -10.429 3.846 -8.845 1.00 0.80 O ATOM 858 CB LEU A 63 -13.266 2.601 -7.957 1.00 0.72 C ATOM 859 CG LEU A 63 -12.846 2.728 -6.507 1.00 0.64 C ATOM 860 CD1 LEU A 63 -14.083 2.778 -5.628 1.00 0.60 C ATOM 861 CD2 LEU A 63 -11.926 1.576 -6.125 1.00 0.63 C ATOM 0 H LEU A 63 -14.430 3.165 -10.037 1.00 0.89 H new ATOM 0 HA LEU A 63 -12.765 4.663 -8.252 1.00 0.79 H new ATOM 0 HB2 LEU A 63 -14.352 2.521 -8.002 1.00 0.72 H new ATOM 0 HB3 LEU A 63 -12.862 1.672 -8.359 1.00 0.72 H new ATOM 0 HG LEU A 63 -12.287 3.652 -6.361 1.00 0.64 H new ATOM 0 HD11 LEU A 63 -13.784 2.869 -4.584 1.00 0.60 H new ATOM 0 HD12 LEU A 63 -14.693 3.637 -5.907 1.00 0.60 H new ATOM 0 HD13 LEU A 63 -14.661 1.864 -5.761 1.00 0.60 H new ATOM 0 HD21 LEU A 63 -11.630 1.677 -5.081 1.00 0.63 H new ATOM 0 HD22 LEU A 63 -12.450 0.630 -6.264 1.00 0.63 H new ATOM 0 HD23 LEU A 63 -11.038 1.595 -6.757 1.00 0.63 H new ATOM 873 N LYS A 64 -11.413 2.781 -10.572 1.00 0.85 N ATOM 874 CA LYS A 64 -10.162 2.438 -11.250 1.00 0.90 C ATOM 875 C LYS A 64 -9.530 3.687 -11.878 1.00 0.94 C ATOM 876 O LYS A 64 -8.337 3.714 -12.180 1.00 0.99 O ATOM 877 CB LYS A 64 -10.426 1.376 -12.321 1.00 1.00 C ATOM 878 CG LYS A 64 -9.167 0.844 -12.991 1.00 1.10 C ATOM 879 CD LYS A 64 -9.494 0.006 -14.219 1.00 1.26 C ATOM 880 CE LYS A 64 -10.022 0.862 -15.362 1.00 1.46 C ATOM 881 NZ LYS A 64 -10.281 0.054 -16.587 1.00 1.71 N ATOM 0 H LYS A 64 -12.250 2.456 -11.055 1.00 0.85 H new ATOM 0 HA LYS A 64 -9.463 2.035 -10.517 1.00 0.90 H new ATOM 0 HB2 LYS A 64 -10.963 0.543 -11.867 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -11.080 1.799 -13.084 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -8.528 1.679 -13.280 1.00 1.10 H new ATOM 0 HG3 LYS A 64 -8.603 0.242 -12.279 1.00 1.10 H new ATOM 0 HD2 LYS A 64 -8.600 -0.525 -14.545 1.00 1.26 H new ATOM 0 HD3 LYS A 64 -10.236 -0.749 -13.957 1.00 1.26 H new ATOM 0 HE2 LYS A 64 -10.943 1.355 -15.051 1.00 1.46 H new ATOM 0 HE3 LYS A 64 -9.301 1.647 -15.591 1.00 1.46 H new ATOM 0 HZ1 LYS A 64 -10.639 0.673 -17.342 1.00 1.71 H new ATOM 0 HZ2 LYS A 64 -9.397 -0.397 -16.899 1.00 1.71 H new ATOM 0 HZ3 LYS A 64 -10.988 -0.679 -16.376 1.00 1.71 H new ATOM 895 N LYS A 65 -10.351 4.710 -12.068 1.00 0.94 N ATOM 896 CA LYS A 65 -9.908 5.996 -12.636 1.00 0.99 C ATOM 897 C LYS A 65 -9.182 6.882 -11.621 1.00 0.96 C ATOM 898 O LYS A 65 -8.000 7.180 -11.789 1.00 1.01 O ATOM 899 CB LYS A 65 -11.112 6.747 -13.190 1.00 1.02 C ATOM 900 CG LYS A 65 -11.745 6.002 -14.366 1.00 1.09 C ATOM 901 CD LYS A 65 -12.879 6.822 -14.987 1.00 1.15 C ATOM 902 CE LYS A 65 -12.387 8.126 -15.632 1.00 1.21 C ATOM 903 NZ LYS A 65 -11.467 7.863 -16.749 1.00 1.29 N ATOM 0 H LYS A 65 -11.344 4.682 -11.836 1.00 0.94 H new ATOM 0 HA LYS A 65 -9.195 5.765 -13.428 1.00 0.99 H new ATOM 0 HB2 LYS A 65 -11.853 6.881 -12.402 1.00 1.02 H new ATOM 0 HB3 LYS A 65 -10.805 7.742 -13.511 1.00 1.02 H new ATOM 0 HG2 LYS A 65 -10.986 5.794 -15.120 1.00 1.09 H new ATOM 0 HG3 LYS A 65 -12.130 5.040 -14.027 1.00 1.09 H new ATOM 0 HD2 LYS A 65 -13.387 6.219 -15.740 1.00 1.15 H new ATOM 0 HD3 LYS A 65 -13.614 7.058 -14.218 1.00 1.15 H new ATOM 0 HE2 LYS A 65 -13.241 8.700 -15.991 1.00 1.21 H new ATOM 0 HE3 LYS A 65 -11.885 8.737 -14.882 1.00 1.21 H new ATOM 0 HZ1 LYS A 65 -11.301 8.744 -17.277 1.00 1.29 H new ATOM 0 HZ2 LYS A 65 -10.563 7.506 -16.378 1.00 1.29 H new ATOM 0 HZ3 LYS A 65 -11.885 7.153 -17.383 1.00 1.29 H new ATOM 917 N VAL A 66 -9.884 7.194 -10.529 1.00 0.90 N ATOM 918 CA VAL A 66 -9.333 8.014 -9.455 1.00 0.88 C ATOM 919 C VAL A 66 -8.050 7.401 -8.878 1.00 0.88 C ATOM 920 O VAL A 66 -7.175 8.127 -8.407 1.00 0.91 O ATOM 921 CB VAL A 66 -10.365 8.241 -8.325 1.00 0.85 C ATOM 922 CG1 VAL A 66 -11.587 8.973 -8.856 1.00 0.87 C ATOM 923 CG2 VAL A 66 -10.778 6.925 -7.681 1.00 0.85 C ATOM 0 H VAL A 66 -10.843 6.887 -10.368 1.00 0.90 H new ATOM 0 HA VAL A 66 -9.086 8.980 -9.894 1.00 0.88 H new ATOM 0 HB VAL A 66 -9.890 8.857 -7.561 1.00 0.85 H new ATOM 0 HG11 VAL A 66 -12.301 9.123 -8.047 1.00 0.87 H new ATOM 0 HG12 VAL A 66 -11.286 9.940 -9.258 1.00 0.87 H new ATOM 0 HG13 VAL A 66 -12.052 8.381 -9.645 1.00 0.87 H new ATOM 0 HG21 VAL A 66 -11.504 7.118 -6.891 1.00 0.85 H new ATOM 0 HG22 VAL A 66 -11.226 6.276 -8.434 1.00 0.85 H new ATOM 0 HG23 VAL A 66 -9.901 6.437 -7.256 1.00 0.85 H new ATOM 933 N ILE A 67 -7.933 6.064 -8.918 1.00 0.88 N ATOM 934 CA ILE A 67 -6.727 5.402 -8.419 1.00 0.91 C ATOM 935 C ILE A 67 -5.620 5.473 -9.465 1.00 0.98 C ATOM 936 O ILE A 67 -4.439 5.479 -9.123 1.00 1.05 O ATOM 937 CB ILE A 67 -6.953 3.931 -7.993 1.00 0.92 C ATOM 938 CG1 ILE A 67 -7.392 3.076 -9.182 1.00 0.93 C ATOM 939 CG2 ILE A 67 -7.970 3.862 -6.862 1.00 0.89 C ATOM 940 CD1 ILE A 67 -7.377 1.586 -8.908 1.00 1.00 C ATOM 0 H ILE A 67 -8.647 5.434 -9.284 1.00 0.88 H new ATOM 0 HA ILE A 67 -6.435 5.942 -7.519 1.00 0.91 H new ATOM 0 HB ILE A 67 -6.008 3.527 -7.631 1.00 0.92 H new ATOM 0 HG12 ILE A 67 -8.399 3.371 -9.476 1.00 0.93 H new ATOM 0 HG13 ILE A 67 -6.738 3.286 -10.029 1.00 0.93 H new ATOM 0 HG21 ILE A 67 -8.121 2.822 -6.571 1.00 0.89 H new ATOM 0 HG22 ILE A 67 -7.602 4.429 -6.007 1.00 0.89 H new ATOM 0 HG23 ILE A 67 -8.917 4.286 -7.198 1.00 0.89 H new ATOM 0 HD11 ILE A 67 -7.701 1.049 -9.799 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -6.366 1.275 -8.644 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -8.053 1.361 -8.083 1.00 1.00 H new ATOM 952 N GLN A 68 -5.999 5.514 -10.748 1.00 0.99 N ATOM 953 CA GLN A 68 -5.004 5.651 -11.824 1.00 1.08 C ATOM 954 C GLN A 68 -4.309 7.020 -11.742 1.00 1.06 C ATOM 955 O GLN A 68 -3.083 7.106 -11.820 1.00 1.09 O ATOM 956 CB GLN A 68 -5.683 5.493 -13.176 1.00 1.16 C ATOM 957 CG GLN A 68 -4.653 5.438 -14.296 1.00 1.27 C ATOM 958 CD GLN A 68 -5.340 5.251 -15.641 1.00 1.37 C ATOM 959 OE1 GLN A 68 -6.223 5.988 -16.056 1.00 1.41 O ATOM 960 NE2 GLN A 68 -4.883 4.245 -16.350 1.00 1.52 N ATOM 0 H GLN A 68 -6.967 5.456 -11.065 1.00 0.99 H new ATOM 0 HA GLN A 68 -4.251 4.872 -11.707 1.00 1.08 H new ATOM 0 HB2 GLN A 68 -6.283 4.583 -13.183 1.00 1.16 H new ATOM 0 HB3 GLN A 68 -6.366 6.326 -13.344 1.00 1.16 H new ATOM 0 HG2 GLN A 68 -4.067 6.357 -14.305 1.00 1.27 H new ATOM 0 HG3 GLN A 68 -3.957 4.618 -14.119 1.00 1.27 H new ATOM 0 HE21 GLN A 68 -4.145 3.649 -15.974 1.00 1.52 H new ATOM 0 HE22 GLN A 68 -5.266 4.059 -17.277 1.00 1.52 H new ATOM 969 N LYS A 69 -5.091 8.073 -11.504 1.00 1.05 N ATOM 970 CA LYS A 69 -4.554 9.436 -11.414 1.00 1.06 C ATOM 971 C LYS A 69 -3.531 9.607 -10.282 1.00 1.08 C ATOM 972 O LYS A 69 -2.577 10.373 -10.426 1.00 1.15 O ATOM 973 CB LYS A 69 -5.689 10.443 -11.228 1.00 1.03 C ATOM 974 CG LYS A 69 -6.397 10.811 -12.521 1.00 1.10 C ATOM 975 CD LYS A 69 -7.317 12.006 -12.331 1.00 1.19 C ATOM 976 CE LYS A 69 -7.848 12.519 -13.658 1.00 1.38 C ATOM 977 NZ LYS A 69 -8.652 13.763 -13.492 1.00 1.58 N ATOM 0 H LYS A 69 -6.100 8.011 -11.370 1.00 1.05 H new ATOM 0 HA LYS A 69 -4.033 9.623 -12.353 1.00 1.06 H new ATOM 0 HB2 LYS A 69 -6.418 10.031 -10.530 1.00 1.03 H new ATOM 0 HB3 LYS A 69 -5.288 11.349 -10.773 1.00 1.03 H new ATOM 0 HG2 LYS A 69 -5.658 11.038 -13.290 1.00 1.10 H new ATOM 0 HG3 LYS A 69 -6.975 9.958 -12.876 1.00 1.10 H new ATOM 0 HD2 LYS A 69 -8.152 11.725 -11.689 1.00 1.19 H new ATOM 0 HD3 LYS A 69 -6.777 12.804 -11.821 1.00 1.19 H new ATOM 0 HE2 LYS A 69 -7.014 12.713 -14.332 1.00 1.38 H new ATOM 0 HE3 LYS A 69 -8.462 11.749 -14.125 1.00 1.38 H new ATOM 0 HZ1 LYS A 69 -8.996 14.081 -14.421 1.00 1.58 H new ATOM 0 HZ2 LYS A 69 -9.463 13.572 -12.869 1.00 1.58 H new ATOM 0 HZ3 LYS A 69 -8.059 14.506 -13.070 1.00 1.58 H new ATOM 991 N ILE A 70 -3.720 8.905 -9.163 1.00 1.07 N ATOM 992 CA ILE A 70 -2.791 9.020 -8.032 1.00 1.12 C ATOM 993 C ILE A 70 -1.581 8.096 -8.186 1.00 1.25 C ATOM 994 O ILE A 70 -0.697 8.076 -7.331 1.00 1.37 O ATOM 995 CB ILE A 70 -3.479 8.732 -6.676 1.00 1.09 C ATOM 996 CG1 ILE A 70 -4.222 7.396 -6.717 1.00 1.09 C ATOM 997 CG2 ILE A 70 -4.428 9.862 -6.311 1.00 1.14 C ATOM 998 CD1 ILE A 70 -4.967 7.069 -5.441 1.00 1.19 C ATOM 0 H ILE A 70 -4.495 8.259 -9.014 1.00 1.07 H new ATOM 0 HA ILE A 70 -2.449 10.055 -8.038 1.00 1.12 H new ATOM 0 HB ILE A 70 -2.708 8.667 -5.908 1.00 1.09 H new ATOM 0 HG12 ILE A 70 -4.930 7.410 -7.546 1.00 1.09 H new ATOM 0 HG13 ILE A 70 -3.507 6.600 -6.923 1.00 1.09 H new ATOM 0 HG21 ILE A 70 -4.903 9.643 -5.355 1.00 1.14 H new ATOM 0 HG22 ILE A 70 -3.870 10.795 -6.234 1.00 1.14 H new ATOM 0 HG23 ILE A 70 -5.192 9.959 -7.082 1.00 1.14 H new ATOM 0 HD11 ILE A 70 -5.468 6.107 -5.549 1.00 1.19 H new ATOM 0 HD12 ILE A 70 -4.263 7.021 -4.611 1.00 1.19 H new ATOM 0 HD13 ILE A 70 -5.708 7.844 -5.244 1.00 1.19 H new ATOM 1122 N LEU B 8 7.666 20.217 16.515 1.00 0.80 N ATOM 1123 CA LEU B 8 8.155 20.789 15.242 1.00 0.77 C ATOM 1124 C LEU B 8 9.633 21.219 15.385 1.00 0.77 C ATOM 1125 O LEU B 8 9.967 22.340 15.764 1.00 0.79 O ATOM 1126 CB LEU B 8 7.244 21.961 14.829 1.00 0.78 C ATOM 1127 CG LEU B 8 7.519 22.566 13.438 1.00 0.76 C ATOM 1128 CD1 LEU B 8 6.253 23.259 12.943 1.00 0.77 C ATOM 1129 CD2 LEU B 8 8.620 23.632 13.444 1.00 0.77 C ATOM 0 HA LEU B 8 8.116 20.038 14.453 1.00 0.77 H new ATOM 0 HB2 LEU B 8 6.209 21.620 14.858 1.00 0.78 H new ATOM 0 HB3 LEU B 8 7.340 22.751 15.574 1.00 0.78 H new ATOM 0 HG LEU B 8 7.835 21.739 12.803 1.00 0.76 H new ATOM 0 HD11 LEU B 8 6.436 23.691 11.959 1.00 0.77 H new ATOM 0 HD12 LEU B 8 5.443 22.533 12.876 1.00 0.77 H new ATOM 0 HD13 LEU B 8 5.974 24.049 13.640 1.00 0.77 H new ATOM 0 HD21 LEU B 8 8.761 24.015 12.433 1.00 0.77 H new ATOM 0 HD22 LEU B 8 8.331 24.450 14.105 1.00 0.77 H new ATOM 0 HD23 LEU B 8 9.552 23.191 13.798 1.00 0.77 H new ATOM 1141 N ARG B 9 10.484 20.210 15.300 1.00 0.75 N ATOM 1142 CA ARG B 9 11.940 20.415 15.417 1.00 0.75 C ATOM 1143 C ARG B 9 12.693 19.707 14.292 1.00 0.72 C ATOM 1144 O ARG B 9 13.294 20.349 13.436 1.00 0.71 O ATOM 1145 CB ARG B 9 12.459 20.048 16.819 1.00 0.79 C ATOM 1146 CG ARG B 9 12.168 18.603 17.243 1.00 0.79 C ATOM 1147 CD ARG B 9 12.884 18.238 18.538 1.00 0.82 C ATOM 1148 NE ARG B 9 12.642 16.816 18.844 1.00 0.82 N ATOM 1149 CZ ARG B 9 11.519 16.281 19.328 1.00 0.83 C ATOM 1150 NH1 ARG B 9 10.447 17.021 19.587 1.00 0.85 N ATOM 1151 NH2 ARG B 9 11.472 14.984 19.605 1.00 0.84 N ATOM 0 H ARG B 9 10.205 19.240 15.151 1.00 0.75 H new ATOM 0 HA ARG B 9 12.139 21.480 15.297 1.00 0.75 H new ATOM 0 HB2 ARG B 9 13.536 20.213 16.849 1.00 0.79 H new ATOM 0 HB3 ARG B 9 12.012 20.725 17.547 1.00 0.79 H new ATOM 0 HG2 ARG B 9 11.094 18.471 17.372 1.00 0.79 H new ATOM 0 HG3 ARG B 9 12.480 17.922 16.451 1.00 0.79 H new ATOM 0 HD2 ARG B 9 13.954 18.424 18.441 1.00 0.82 H new ATOM 0 HD3 ARG B 9 12.525 18.864 19.355 1.00 0.82 H new ATOM 0 HE ARG B 9 13.414 16.173 18.667 1.00 0.82 H new ATOM 0 HH11 ARG B 9 10.468 18.026 19.416 1.00 0.85 H new ATOM 0 HH12 ARG B 9 9.603 16.584 19.957 1.00 0.85 H new ATOM 0 HH21 ARG B 9 12.293 14.399 19.448 1.00 0.84 H new ATOM 0 HH22 ARG B 9 10.615 14.572 19.975 1.00 0.84 H new ATOM 1165 N GLU B 10 12.610 18.373 14.292 1.00 0.71 N ATOM 1166 CA GLU B 10 13.367 17.504 13.383 1.00 0.68 C ATOM 1167 C GLU B 10 12.614 16.196 13.143 1.00 0.66 C ATOM 1168 O GLU B 10 12.295 15.464 14.082 1.00 0.68 O ATOM 1169 CB GLU B 10 14.736 17.173 13.989 1.00 0.70 C ATOM 1170 CG GLU B 10 15.636 18.406 14.129 1.00 0.72 C ATOM 1171 CD GLU B 10 17.027 18.088 14.675 1.00 0.75 C ATOM 1172 OE1 GLU B 10 17.492 16.947 14.454 1.00 0.74 O ATOM 1173 OE2 GLU B 10 17.610 19.008 15.286 1.00 0.77 O ATOM 0 H GLU B 10 12.006 17.858 14.933 1.00 0.71 H new ATOM 0 HA GLU B 10 13.494 18.033 12.438 1.00 0.68 H new ATOM 0 HB2 GLU B 10 14.594 16.719 14.970 1.00 0.70 H new ATOM 0 HB3 GLU B 10 15.236 16.433 13.364 1.00 0.70 H new ATOM 0 HG2 GLU B 10 15.738 18.884 13.155 1.00 0.72 H new ATOM 0 HG3 GLU B 10 15.152 19.126 14.788 1.00 0.72 H new ATOM 1180 N LEU B 11 12.215 16.031 11.895 1.00 0.63 N ATOM 1181 CA LEU B 11 11.491 14.831 11.442 1.00 0.61 C ATOM 1182 C LEU B 11 12.204 14.206 10.243 1.00 0.58 C ATOM 1183 O LEU B 11 12.684 14.907 9.349 1.00 0.57 O ATOM 1184 CB LEU B 11 10.059 15.212 11.066 1.00 0.60 C ATOM 1185 CG LEU B 11 9.283 15.729 12.276 1.00 0.64 C ATOM 1186 CD1 LEU B 11 8.702 17.109 11.972 1.00 0.65 C ATOM 1187 CD2 LEU B 11 8.186 14.739 12.666 1.00 0.64 C ATOM 0 H LEU B 11 12.378 16.718 11.158 1.00 0.63 H new ATOM 0 HA LEU B 11 11.467 14.099 12.249 1.00 0.61 H new ATOM 0 HB2 LEU B 11 10.076 15.977 10.289 1.00 0.60 H new ATOM 0 HB3 LEU B 11 9.548 14.345 10.648 1.00 0.60 H new ATOM 0 HG LEU B 11 9.962 15.825 13.123 1.00 0.64 H new ATOM 0 HD11 LEU B 11 8.150 17.471 12.840 1.00 0.65 H new ATOM 0 HD12 LEU B 11 9.511 17.802 11.742 1.00 0.65 H new ATOM 0 HD13 LEU B 11 8.029 17.040 11.117 1.00 0.65 H new ATOM 0 HD21 LEU B 11 7.642 15.121 13.530 1.00 0.64 H new ATOM 0 HD22 LEU B 11 7.498 14.611 11.831 1.00 0.64 H new ATOM 0 HD23 LEU B 11 8.635 13.778 12.916 1.00 0.64 H new ATOM 1199 N ARG B 12 12.233 12.886 10.263 1.00 0.57 N ATOM 1200 CA ARG B 12 12.945 12.091 9.243 1.00 0.55 C ATOM 1201 C ARG B 12 11.910 11.454 8.321 1.00 0.52 C ATOM 1202 O ARG B 12 10.818 11.090 8.762 1.00 0.52 O ATOM 1203 CB ARG B 12 13.766 10.983 9.928 1.00 0.57 C ATOM 1204 CG ARG B 12 14.559 11.434 11.164 1.00 0.60 C ATOM 1205 CD ARG B 12 15.399 12.677 10.862 1.00 0.61 C ATOM 1206 NE ARG B 12 16.263 13.030 11.989 1.00 0.65 N ATOM 1207 CZ ARG B 12 17.573 12.846 11.931 1.00 0.67 C ATOM 1208 NH1 ARG B 12 18.096 11.652 12.173 1.00 0.68 N ATOM 1209 NH2 ARG B 12 18.366 13.882 11.724 1.00 0.68 N ATOM 0 H ARG B 12 11.770 12.324 10.977 1.00 0.57 H new ATOM 0 HA ARG B 12 13.618 12.733 8.674 1.00 0.55 H new ATOM 0 HB2 ARG B 12 13.090 10.179 10.221 1.00 0.57 H new ATOM 0 HB3 ARG B 12 14.462 10.565 9.201 1.00 0.57 H new ATOM 0 HG2 ARG B 12 13.871 11.647 11.982 1.00 0.60 H new ATOM 0 HG3 ARG B 12 15.209 10.625 11.497 1.00 0.60 H new ATOM 0 HD2 ARG B 12 16.009 12.498 9.977 1.00 0.61 H new ATOM 0 HD3 ARG B 12 14.741 13.515 10.631 1.00 0.61 H new ATOM 0 HE ARG B 12 15.849 13.425 12.834 1.00 0.65 H new ATOM 0 HH11 ARG B 12 17.488 10.867 12.406 1.00 0.68 H new ATOM 0 HH12 ARG B 12 19.106 11.519 12.126 1.00 0.68 H new ATOM 0 HH21 ARG B 12 17.968 14.814 11.610 1.00 0.68 H new ATOM 0 HH22 ARG B 12 19.376 13.750 11.678 1.00 0.68 H new ATOM 1223 N CYS B 13 12.270 11.313 7.048 1.00 0.50 N ATOM 1224 CA CYS B 13 11.432 10.577 6.084 1.00 0.48 C ATOM 1225 C CYS B 13 11.145 9.163 6.614 1.00 0.48 C ATOM 1226 O CYS B 13 11.940 8.597 7.363 1.00 0.49 O ATOM 1227 CB CYS B 13 12.164 10.485 4.745 1.00 0.47 C ATOM 1228 SG CYS B 13 12.158 12.032 3.771 1.00 0.48 S ATOM 0 H CYS B 13 13.130 11.694 6.654 1.00 0.50 H new ATOM 0 HA CYS B 13 10.488 11.105 5.949 1.00 0.48 H new ATOM 0 HB2 CYS B 13 13.197 10.190 4.929 1.00 0.47 H new ATOM 0 HB3 CYS B 13 11.708 9.694 4.150 1.00 0.47 H new ATOM 1233 N VAL B 14 9.997 8.617 6.218 1.00 0.46 N ATOM 1234 CA VAL B 14 9.615 7.238 6.614 1.00 0.46 C ATOM 1235 C VAL B 14 10.645 6.199 6.115 1.00 0.46 C ATOM 1236 O VAL B 14 10.865 5.160 6.730 1.00 0.47 O ATOM 1237 CB VAL B 14 8.159 6.911 6.198 1.00 0.45 C ATOM 1238 CG1 VAL B 14 7.902 6.866 4.690 1.00 0.43 C ATOM 1239 CG2 VAL B 14 7.673 5.600 6.817 1.00 0.46 C ATOM 0 H VAL B 14 9.313 9.092 5.629 1.00 0.46 H new ATOM 0 HA VAL B 14 9.636 7.180 7.702 1.00 0.46 H new ATOM 0 HB VAL B 14 7.591 7.756 6.588 1.00 0.45 H new ATOM 0 HG11 VAL B 14 6.854 6.630 4.506 1.00 0.43 H new ATOM 0 HG12 VAL B 14 8.137 7.836 4.252 1.00 0.43 H new ATOM 0 HG13 VAL B 14 8.531 6.100 4.236 1.00 0.43 H new ATOM 0 HG21 VAL B 14 6.648 5.406 6.501 1.00 0.46 H new ATOM 0 HG22 VAL B 14 8.315 4.783 6.488 1.00 0.46 H new ATOM 0 HG23 VAL B 14 7.710 5.675 7.904 1.00 0.46 H new ATOM 1249 N CYS B 15 11.252 6.525 4.977 1.00 0.45 N ATOM 1250 CA CYS B 15 12.283 5.713 4.314 1.00 0.45 C ATOM 1251 C CYS B 15 13.601 6.473 4.202 1.00 0.47 C ATOM 1252 O CYS B 15 13.716 7.424 3.429 1.00 0.47 O ATOM 1253 CB CYS B 15 11.832 5.353 2.904 1.00 0.43 C ATOM 1254 SG CYS B 15 10.529 4.088 2.883 1.00 0.42 S ATOM 0 H CYS B 15 11.038 7.385 4.472 1.00 0.45 H new ATOM 0 HA CYS B 15 12.430 4.817 4.917 1.00 0.45 H new ATOM 0 HB2 CYS B 15 11.469 6.251 2.403 1.00 0.43 H new ATOM 0 HB3 CYS B 15 12.689 4.995 2.334 1.00 0.43 H new ATOM 1259 N LEU B 16 14.535 6.093 5.064 1.00 0.49 N ATOM 1260 CA LEU B 16 15.900 6.650 5.019 1.00 0.52 C ATOM 1261 C LEU B 16 16.812 5.975 3.982 1.00 0.54 C ATOM 1262 O LEU B 16 17.659 6.623 3.361 1.00 0.55 O ATOM 1263 CB LEU B 16 16.539 6.620 6.411 1.00 0.55 C ATOM 1264 CG LEU B 16 15.825 7.541 7.410 1.00 0.55 C ATOM 1265 CD1 LEU B 16 16.472 7.399 8.790 1.00 0.58 C ATOM 1266 CD2 LEU B 16 15.859 9.011 6.968 1.00 0.54 C ATOM 0 H LEU B 16 14.384 5.406 5.803 1.00 0.49 H new ATOM 0 HA LEU B 16 15.795 7.684 4.692 1.00 0.52 H new ATOM 0 HB2 LEU B 16 16.525 5.598 6.791 1.00 0.55 H new ATOM 0 HB3 LEU B 16 17.585 6.917 6.333 1.00 0.55 H new ATOM 0 HG LEU B 16 14.779 7.237 7.453 1.00 0.55 H new ATOM 0 HD11 LEU B 16 15.965 8.053 9.499 1.00 0.58 H new ATOM 0 HD12 LEU B 16 16.389 6.366 9.126 1.00 0.58 H new ATOM 0 HD13 LEU B 16 17.524 7.677 8.729 1.00 0.58 H new ATOM 0 HD21 LEU B 16 15.342 9.625 7.706 1.00 0.54 H new ATOM 0 HD22 LEU B 16 16.894 9.341 6.883 1.00 0.54 H new ATOM 0 HD23 LEU B 16 15.365 9.112 6.002 1.00 0.54 H new ATOM 1278 N GLN B 17 16.599 4.691 3.787 1.00 0.53 N ATOM 1279 CA GLN B 17 17.361 3.845 2.863 1.00 0.55 C ATOM 1280 C GLN B 17 16.472 3.413 1.685 1.00 0.53 C ATOM 1281 O GLN B 17 15.289 3.742 1.609 1.00 0.50 O ATOM 1282 CB GLN B 17 17.949 2.628 3.607 1.00 0.58 C ATOM 1283 CG GLN B 17 16.935 1.572 4.079 1.00 0.56 C ATOM 1284 CD GLN B 17 16.021 2.010 5.234 1.00 0.55 C ATOM 1285 OE1 GLN B 17 16.120 3.051 5.862 1.00 0.55 O ATOM 1286 NE2 GLN B 17 15.082 1.162 5.568 1.00 0.54 N ATOM 0 H GLN B 17 15.867 4.180 4.280 1.00 0.53 H new ATOM 0 HA GLN B 17 18.195 4.419 2.460 1.00 0.55 H new ATOM 0 HB2 GLN B 17 18.672 2.142 2.952 1.00 0.58 H new ATOM 0 HB3 GLN B 17 18.499 2.989 4.476 1.00 0.58 H new ATOM 0 HG2 GLN B 17 16.311 1.287 3.232 1.00 0.56 H new ATOM 0 HG3 GLN B 17 17.481 0.680 4.387 1.00 0.56 H new ATOM 0 HE21 GLN B 17 14.981 0.285 5.056 1.00 0.54 H new ATOM 0 HE22 GLN B 17 14.451 1.378 6.340 1.00 0.54 H new ATOM 1295 N THR B 18 17.081 2.623 0.817 1.00 0.55 N ATOM 1296 CA THR B 18 16.416 2.064 -0.372 1.00 0.54 C ATOM 1297 C THR B 18 16.611 0.540 -0.457 1.00 0.55 C ATOM 1298 O THR B 18 17.200 -0.086 0.427 1.00 0.57 O ATOM 1299 CB THR B 18 16.942 2.818 -1.605 1.00 0.56 C ATOM 1300 OG1 THR B 18 16.198 2.395 -2.745 1.00 0.55 O ATOM 1301 CG2 THR B 18 18.445 2.635 -1.854 1.00 0.60 C ATOM 0 H THR B 18 18.058 2.343 0.909 1.00 0.55 H new ATOM 0 HA THR B 18 15.337 2.205 -0.314 1.00 0.54 H new ATOM 0 HB THR B 18 16.806 3.883 -1.417 1.00 0.56 H new ATOM 0 HG1 THR B 18 15.250 2.324 -2.509 1.00 0.55 H new ATOM 0 HG21 THR B 18 18.738 3.197 -2.740 1.00 0.60 H new ATOM 0 HG22 THR B 18 19.004 2.999 -0.992 1.00 0.60 H new ATOM 0 HG23 THR B 18 18.662 1.578 -2.007 1.00 0.60 H new ATOM 1309 N THR B 19 16.198 -0.032 -1.583 1.00 0.55 N ATOM 1310 CA THR B 19 16.278 -1.466 -1.900 1.00 0.57 C ATOM 1311 C THR B 19 16.235 -1.677 -3.424 1.00 0.58 C ATOM 1312 O THR B 19 15.667 -0.879 -4.178 1.00 0.57 O ATOM 1313 CB THR B 19 15.125 -2.222 -1.205 1.00 0.54 C ATOM 1314 OG1 THR B 19 15.197 -2.014 0.211 1.00 0.54 O ATOM 1315 CG2 THR B 19 15.136 -3.732 -1.451 1.00 0.56 C ATOM 0 H THR B 19 15.778 0.510 -2.338 1.00 0.55 H new ATOM 0 HA THR B 19 17.223 -1.863 -1.530 1.00 0.57 H new ATOM 0 HB THR B 19 14.208 -1.820 -1.635 1.00 0.54 H new ATOM 0 HG1 THR B 19 14.655 -1.235 0.455 1.00 0.54 H new ATOM 0 HG21 THR B 19 14.296 -4.192 -0.930 1.00 0.56 H new ATOM 0 HG22 THR B 19 15.051 -3.927 -2.520 1.00 0.56 H new ATOM 0 HG23 THR B 19 16.069 -4.155 -1.078 1.00 0.56 H new ATOM 1323 N GLN B 20 16.854 -2.775 -3.828 1.00 0.61 N ATOM 1324 CA GLN B 20 16.921 -3.255 -5.211 1.00 0.64 C ATOM 1325 C GLN B 20 16.489 -4.719 -5.334 1.00 0.64 C ATOM 1326 O GLN B 20 17.275 -5.650 -5.509 1.00 0.68 O ATOM 1327 CB GLN B 20 18.312 -2.998 -5.826 1.00 0.68 C ATOM 1328 CG GLN B 20 19.505 -3.741 -5.218 1.00 0.72 C ATOM 1329 CD GLN B 20 19.841 -3.377 -3.769 1.00 0.70 C ATOM 1330 OE1 GLN B 20 19.432 -2.395 -3.167 1.00 0.68 O ATOM 1331 NE2 GLN B 20 20.684 -4.180 -3.172 1.00 0.73 N ATOM 0 H GLN B 20 17.347 -3.387 -3.177 1.00 0.61 H new ATOM 0 HA GLN B 20 16.203 -2.677 -5.793 1.00 0.64 H new ATOM 0 HB2 GLN B 20 18.263 -3.251 -6.885 1.00 0.68 H new ATOM 0 HB3 GLN B 20 18.515 -1.929 -5.763 1.00 0.68 H new ATOM 0 HG2 GLN B 20 19.308 -4.812 -5.269 1.00 0.72 H new ATOM 0 HG3 GLN B 20 20.383 -3.549 -5.835 1.00 0.72 H new ATOM 0 HE21 GLN B 20 21.036 -5.004 -3.659 1.00 0.73 H new ATOM 0 HE22 GLN B 20 20.990 -3.982 -2.219 1.00 0.73 H new ATOM 1340 N GLY B 21 15.176 -4.896 -5.179 1.00 0.61 N ATOM 1341 CA GLY B 21 14.593 -6.218 -5.388 1.00 0.61 C ATOM 1342 C GLY B 21 14.301 -6.461 -6.883 1.00 0.63 C ATOM 1343 O GLY B 21 14.456 -5.537 -7.675 1.00 0.64 O ATOM 0 H GLY B 21 14.515 -4.164 -4.918 1.00 0.61 H new ATOM 0 HA2 GLY B 21 15.275 -6.983 -5.018 1.00 0.61 H new ATOM 0 HA3 GLY B 21 13.671 -6.308 -4.814 1.00 0.61 H new ATOM 1347 N VAL B 22 13.719 -7.572 -7.319 1.00 0.64 N ATOM 1348 CA VAL B 22 13.061 -8.759 -6.696 1.00 0.63 C ATOM 1349 C VAL B 22 11.805 -9.054 -7.544 1.00 0.62 C ATOM 1350 O VAL B 22 11.568 -8.405 -8.558 1.00 0.63 O ATOM 1351 CB VAL B 22 12.710 -8.643 -5.183 1.00 0.60 C ATOM 1352 CG1 VAL B 22 11.556 -7.680 -4.856 1.00 0.56 C ATOM 1353 CG2 VAL B 22 12.562 -10.001 -4.491 1.00 0.61 C ATOM 0 H VAL B 22 13.684 -7.699 -8.330 1.00 0.64 H new ATOM 0 HA VAL B 22 13.782 -9.576 -6.702 1.00 0.63 H new ATOM 0 HB VAL B 22 13.590 -8.168 -4.748 1.00 0.60 H new ATOM 0 HG11 VAL B 22 11.387 -7.667 -3.779 1.00 0.56 H new ATOM 0 HG12 VAL B 22 11.813 -6.676 -5.195 1.00 0.56 H new ATOM 0 HG13 VAL B 22 10.650 -8.013 -5.362 1.00 0.56 H new ATOM 0 HG21 VAL B 22 12.318 -9.849 -3.440 1.00 0.61 H new ATOM 0 HG22 VAL B 22 11.765 -10.569 -4.971 1.00 0.61 H new ATOM 0 HG23 VAL B 22 13.498 -10.553 -4.569 1.00 0.61 H new ATOM 1363 N HIS B 23 10.967 -9.980 -7.092 1.00 0.61 N ATOM 1364 CA HIS B 23 9.692 -10.268 -7.750 1.00 0.61 C ATOM 1365 C HIS B 23 8.520 -9.960 -6.794 1.00 0.57 C ATOM 1366 O HIS B 23 8.617 -10.257 -5.596 1.00 0.56 O ATOM 1367 CB HIS B 23 9.690 -11.732 -8.211 1.00 0.64 C ATOM 1368 CG HIS B 23 8.521 -12.029 -9.155 1.00 0.64 C ATOM 1369 ND1 HIS B 23 7.266 -12.231 -8.772 1.00 0.63 N ATOM 1370 CD2 HIS B 23 8.567 -12.167 -10.476 1.00 0.67 C ATOM 1371 CE1 HIS B 23 6.534 -12.511 -9.849 1.00 0.65 C ATOM 1372 NE2 HIS B 23 7.344 -12.470 -10.903 1.00 0.68 N ATOM 0 H HIS B 23 11.147 -10.550 -6.266 1.00 0.61 H new ATOM 0 HA HIS B 23 9.566 -9.632 -8.626 1.00 0.61 H new ATOM 0 HB2 HIS B 23 10.630 -11.956 -8.715 1.00 0.64 H new ATOM 0 HB3 HIS B 23 9.631 -12.387 -7.342 1.00 0.64 H new ATOM 0 HD2 HIS B 23 9.445 -12.053 -11.095 1.00 0.67 H new ATOM 0 HE1 HIS B 23 5.477 -12.731 -9.864 1.00 0.65 H new ATOM 0 HE2 HIS B 23 7.074 -12.641 -11.872 1.00 0.68 H new ATOM 1380 N PRO B 24 7.410 -9.441 -7.348 1.00 0.57 N ATOM 1381 CA PRO B 24 6.146 -9.194 -6.626 1.00 0.55 C ATOM 1382 C PRO B 24 5.654 -10.417 -5.855 1.00 0.55 C ATOM 1383 O PRO B 24 4.882 -10.262 -4.919 1.00 0.53 O ATOM 1384 CB PRO B 24 5.107 -8.942 -7.712 1.00 0.56 C ATOM 1385 CG PRO B 24 5.915 -8.330 -8.842 1.00 0.58 C ATOM 1386 CD PRO B 24 7.266 -9.023 -8.758 1.00 0.59 C ATOM 0 HA PRO B 24 6.296 -8.379 -5.918 1.00 0.55 H new ATOM 0 HB2 PRO B 24 4.619 -9.866 -8.022 1.00 0.56 H new ATOM 0 HB3 PRO B 24 4.323 -8.267 -7.368 1.00 0.56 H new ATOM 0 HG2 PRO B 24 5.440 -8.501 -9.808 1.00 0.58 H new ATOM 0 HG3 PRO B 24 6.013 -7.251 -8.721 1.00 0.58 H new ATOM 0 HD2 PRO B 24 7.309 -9.882 -9.428 1.00 0.59 H new ATOM 0 HD3 PRO B 24 8.071 -8.349 -9.052 1.00 0.59 H new ATOM 1394 N LYS B 25 6.105 -11.605 -6.254 1.00 0.57 N ATOM 1395 CA LYS B 25 5.745 -12.886 -5.626 1.00 0.58 C ATOM 1396 C LYS B 25 5.961 -12.880 -4.103 1.00 0.56 C ATOM 1397 O LYS B 25 5.232 -13.534 -3.368 1.00 0.57 O ATOM 1398 CB LYS B 25 6.592 -13.990 -6.258 1.00 0.61 C ATOM 1399 CG LYS B 25 5.760 -15.260 -6.421 1.00 0.62 C ATOM 1400 CD LYS B 25 6.542 -16.402 -7.074 1.00 0.66 C ATOM 1401 CE LYS B 25 7.618 -16.965 -6.145 1.00 0.67 C ATOM 1402 NZ LYS B 25 7.509 -18.427 -6.086 1.00 0.69 N ATOM 0 H LYS B 25 6.746 -11.712 -7.040 1.00 0.57 H new ATOM 0 HA LYS B 25 4.682 -13.058 -5.795 1.00 0.58 H new ATOM 0 HB2 LYS B 25 6.965 -13.663 -7.229 1.00 0.61 H new ATOM 0 HB3 LYS B 25 7.463 -14.194 -5.634 1.00 0.61 H new ATOM 0 HG2 LYS B 25 5.403 -15.583 -5.443 1.00 0.62 H new ATOM 0 HG3 LYS B 25 4.880 -15.037 -7.024 1.00 0.62 H new ATOM 0 HD2 LYS B 25 5.853 -17.199 -7.355 1.00 0.66 H new ATOM 0 HD3 LYS B 25 7.007 -16.044 -7.992 1.00 0.66 H new ATOM 0 HE2 LYS B 25 8.607 -16.679 -6.504 1.00 0.67 H new ATOM 0 HE3 LYS B 25 7.507 -16.542 -5.146 1.00 0.67 H new ATOM 0 HZ1 LYS B 25 8.243 -18.805 -5.453 1.00 0.69 H new ATOM 0 HZ2 LYS B 25 6.570 -18.691 -5.724 1.00 0.69 H new ATOM 0 HZ3 LYS B 25 7.636 -18.823 -7.039 1.00 0.69 H new ATOM 1416 N MET B 26 6.929 -12.090 -3.642 1.00 0.55 N ATOM 1417 CA MET B 26 7.227 -11.981 -2.214 1.00 0.55 C ATOM 1418 C MET B 26 6.667 -10.677 -1.627 1.00 0.52 C ATOM 1419 O MET B 26 7.211 -10.136 -0.669 1.00 0.52 O ATOM 1420 CB MET B 26 8.741 -12.047 -1.996 1.00 0.57 C ATOM 1421 CG MET B 26 9.322 -13.446 -2.133 1.00 0.64 C ATOM 1422 SD MET B 26 8.820 -14.554 -0.795 1.00 0.75 S ATOM 1423 CE MET B 26 7.618 -15.590 -1.628 1.00 0.95 C ATOM 0 H MET B 26 7.523 -11.514 -4.239 1.00 0.55 H new ATOM 0 HA MET B 26 6.748 -12.814 -1.700 1.00 0.55 H new ATOM 0 HB2 MET B 26 9.231 -11.389 -2.714 1.00 0.57 H new ATOM 0 HB3 MET B 26 8.972 -11.664 -1.002 1.00 0.57 H new ATOM 0 HG2 MET B 26 9.009 -13.872 -3.086 1.00 0.64 H new ATOM 0 HG3 MET B 26 10.410 -13.381 -2.155 1.00 0.64 H new ATOM 0 HE1 MET B 26 6.888 -15.954 -0.905 1.00 0.95 H new ATOM 0 HE2 MET B 26 7.108 -15.010 -2.397 1.00 0.95 H new ATOM 0 HE3 MET B 26 8.125 -16.437 -2.090 1.00 0.95 H new ATOM 1433 N ILE B 27 5.570 -10.184 -2.206 1.00 0.50 N ATOM 1434 CA ILE B 27 4.931 -8.941 -1.750 1.00 0.48 C ATOM 1435 C ILE B 27 3.431 -9.162 -1.507 1.00 0.49 C ATOM 1436 O ILE B 27 2.794 -9.936 -2.221 1.00 0.56 O ATOM 1437 CB ILE B 27 5.109 -7.796 -2.784 1.00 0.52 C ATOM 1438 CG1 ILE B 27 6.591 -7.548 -3.089 1.00 0.56 C ATOM 1439 CG2 ILE B 27 4.458 -6.509 -2.295 1.00 0.53 C ATOM 1440 CD1 ILE B 27 7.385 -7.030 -1.906 1.00 0.58 C ATOM 0 H ILE B 27 5.101 -10.627 -2.996 1.00 0.50 H new ATOM 0 HA ILE B 27 5.418 -8.654 -0.818 1.00 0.48 H new ATOM 0 HB ILE B 27 4.614 -8.110 -3.703 1.00 0.52 H new ATOM 0 HG12 ILE B 27 7.041 -8.478 -3.436 1.00 0.56 H new ATOM 0 HG13 ILE B 27 6.668 -6.832 -3.907 1.00 0.56 H new ATOM 0 HG21 ILE B 27 4.598 -5.725 -3.039 1.00 0.53 H new ATOM 0 HG22 ILE B 27 3.392 -6.676 -2.141 1.00 0.53 H new ATOM 0 HG23 ILE B 27 4.917 -6.203 -1.355 1.00 0.53 H new ATOM 0 HD11 ILE B 27 8.423 -6.880 -2.202 1.00 0.58 H new ATOM 0 HD12 ILE B 27 6.963 -6.083 -1.571 1.00 0.58 H new ATOM 0 HD13 ILE B 27 7.341 -7.755 -1.093 1.00 0.58 H new ATOM 1452 N SER B 28 2.865 -8.475 -0.504 1.00 0.47 N ATOM 1453 CA SER B 28 1.443 -8.609 -0.191 1.00 0.54 C ATOM 1454 C SER B 28 0.826 -7.273 0.247 1.00 0.55 C ATOM 1455 O SER B 28 -0.338 -7.224 0.643 1.00 0.70 O ATOM 1456 CB SER B 28 1.240 -9.664 0.903 1.00 0.61 C ATOM 1457 OG SER B 28 1.679 -10.943 0.475 1.00 0.68 O ATOM 0 H SER B 28 3.370 -7.826 0.099 1.00 0.47 H new ATOM 0 HA SER B 28 0.935 -8.927 -1.101 1.00 0.54 H new ATOM 0 HB2 SER B 28 1.787 -9.371 1.799 1.00 0.61 H new ATOM 0 HB3 SER B 28 0.185 -9.711 1.174 1.00 0.61 H new ATOM 0 HG SER B 28 1.396 -11.620 1.124 1.00 0.68 H new ATOM 1463 N ASN B 29 1.607 -6.190 0.171 1.00 0.49 N ATOM 1464 CA ASN B 29 1.125 -4.861 0.561 1.00 0.50 C ATOM 1465 C ASN B 29 2.033 -3.765 -0.007 1.00 0.49 C ATOM 1466 O ASN B 29 3.256 -3.908 -0.022 1.00 0.49 O ATOM 1467 CB ASN B 29 1.049 -4.753 2.093 1.00 0.54 C ATOM 1468 CG ASN B 29 0.647 -3.370 2.584 1.00 0.58 C ATOM 1469 OD1 ASN B 29 -0.198 -2.702 1.988 1.00 0.67 O ATOM 1470 ND2 ASN B 29 1.257 -2.933 3.679 1.00 0.83 N ATOM 0 H ASN B 29 2.573 -6.208 -0.156 1.00 0.49 H new ATOM 0 HA ASN B 29 0.126 -4.723 0.149 1.00 0.50 H new ATOM 0 HB2 ASN B 29 0.333 -5.485 2.466 1.00 0.54 H new ATOM 0 HB3 ASN B 29 2.019 -5.012 2.516 1.00 0.54 H new ATOM 0 HD21 ASN B 29 1.031 -2.013 4.056 1.00 0.83 H new ATOM 0 HD22 ASN B 29 1.952 -3.518 4.144 1.00 0.83 H new ATOM 1477 N LEU B 30 1.421 -2.674 -0.478 1.00 0.53 N ATOM 1478 CA LEU B 30 2.165 -1.552 -1.046 1.00 0.55 C ATOM 1479 C LEU B 30 1.560 -0.217 -0.620 1.00 0.56 C ATOM 1480 O LEU B 30 0.479 0.152 -1.070 1.00 0.75 O ATOM 1481 CB LEU B 30 2.188 -1.642 -2.575 1.00 0.60 C ATOM 1482 CG LEU B 30 3.011 -0.559 -3.278 1.00 0.69 C ATOM 1483 CD1 LEU B 30 4.490 -0.909 -3.258 1.00 0.74 C ATOM 1484 CD2 LEU B 30 2.524 -0.360 -4.706 1.00 0.75 C ATOM 0 H LEU B 30 0.409 -2.547 -0.476 1.00 0.53 H new ATOM 0 HA LEU B 30 3.186 -1.607 -0.667 1.00 0.55 H new ATOM 0 HB2 LEU B 30 2.582 -2.618 -2.860 1.00 0.60 H new ATOM 0 HB3 LEU B 30 1.163 -1.592 -2.942 1.00 0.60 H new ATOM 0 HG LEU B 30 2.877 0.378 -2.737 1.00 0.69 H new ATOM 0 HD11 LEU B 30 5.056 -0.126 -3.763 1.00 0.74 H new ATOM 0 HD12 LEU B 30 4.830 -0.994 -2.226 1.00 0.74 H new ATOM 0 HD13 LEU B 30 4.646 -1.858 -3.771 1.00 0.74 H new ATOM 0 HD21 LEU B 30 3.121 0.413 -5.190 1.00 0.75 H new ATOM 0 HD22 LEU B 30 2.625 -1.294 -5.258 1.00 0.75 H new ATOM 0 HD23 LEU B 30 1.477 -0.056 -4.694 1.00 0.75 H new ATOM 1496 N GLN B 31 2.267 0.507 0.239 1.00 0.50 N ATOM 1497 CA GLN B 31 1.791 1.802 0.721 1.00 0.50 C ATOM 1498 C GLN B 31 2.528 2.947 0.025 1.00 0.51 C ATOM 1499 O GLN B 31 3.746 3.072 0.137 1.00 0.60 O ATOM 1500 CB GLN B 31 1.969 1.903 2.236 1.00 0.53 C ATOM 1501 CG GLN B 31 1.121 0.910 3.016 1.00 0.57 C ATOM 1502 CD GLN B 31 1.431 0.916 4.501 1.00 0.75 C ATOM 1503 OE1 GLN B 31 2.275 0.153 4.971 1.00 1.08 O ATOM 1504 NE2 GLN B 31 0.755 1.783 5.248 1.00 1.01 N ATOM 0 H GLN B 31 3.171 0.222 0.617 1.00 0.50 H new ATOM 0 HA GLN B 31 0.730 1.884 0.484 1.00 0.50 H new ATOM 0 HB2 GLN B 31 3.019 1.743 2.482 1.00 0.53 H new ATOM 0 HB3 GLN B 31 1.717 2.914 2.557 1.00 0.53 H new ATOM 0 HG2 GLN B 31 0.067 1.144 2.868 1.00 0.57 H new ATOM 0 HG3 GLN B 31 1.284 -0.092 2.619 1.00 0.57 H new ATOM 0 HE21 GLN B 31 0.064 2.397 4.817 1.00 1.01 H new ATOM 0 HE22 GLN B 31 0.927 1.834 6.252 1.00 1.01 H new ATOM 1513 N VAL B 32 1.776 3.775 -0.699 1.00 0.49 N ATOM 1514 CA VAL B 32 2.350 4.910 -1.424 1.00 0.51 C ATOM 1515 C VAL B 32 2.027 6.233 -0.731 1.00 0.49 C ATOM 1516 O VAL B 32 0.949 6.795 -0.915 1.00 0.61 O ATOM 1517 CB VAL B 32 1.841 4.969 -2.882 1.00 0.56 C ATOM 1518 CG1 VAL B 32 2.630 5.994 -3.687 1.00 0.61 C ATOM 1519 CG2 VAL B 32 1.917 3.595 -3.536 1.00 0.59 C ATOM 0 H VAL B 32 0.765 3.681 -0.800 1.00 0.49 H new ATOM 0 HA VAL B 32 3.430 4.761 -1.430 1.00 0.51 H new ATOM 0 HB VAL B 32 0.796 5.280 -2.865 1.00 0.56 H new ATOM 0 HG11 VAL B 32 2.256 6.019 -4.710 1.00 0.61 H new ATOM 0 HG12 VAL B 32 2.515 6.979 -3.234 1.00 0.61 H new ATOM 0 HG13 VAL B 32 3.684 5.718 -3.693 1.00 0.61 H new ATOM 0 HG21 VAL B 32 1.554 3.660 -4.562 1.00 0.59 H new ATOM 0 HG22 VAL B 32 2.951 3.250 -3.538 1.00 0.59 H new ATOM 0 HG23 VAL B 32 1.301 2.891 -2.977 1.00 0.59 H new ATOM 1529 N PHE B 33 2.975 6.722 0.063 1.00 0.48 N ATOM 1530 CA PHE B 33 2.807 7.976 0.795 1.00 0.48 C ATOM 1531 C PHE B 33 3.418 9.145 0.028 1.00 0.50 C ATOM 1532 O PHE B 33 4.470 9.004 -0.597 1.00 0.56 O ATOM 1533 CB PHE B 33 3.462 7.873 2.175 1.00 0.53 C ATOM 1534 CG PHE B 33 2.557 7.329 3.242 1.00 0.57 C ATOM 1535 CD1 PHE B 33 1.705 8.173 3.933 1.00 0.70 C ATOM 1536 CD2 PHE B 33 2.561 5.979 3.561 1.00 0.65 C ATOM 1537 CE1 PHE B 33 0.871 7.685 4.921 1.00 0.85 C ATOM 1538 CE2 PHE B 33 1.731 5.484 4.549 1.00 0.78 C ATOM 1539 CZ PHE B 33 0.886 6.339 5.230 1.00 0.86 C ATOM 0 H PHE B 33 3.874 6.266 0.217 1.00 0.48 H new ATOM 0 HA PHE B 33 1.738 8.156 0.911 1.00 0.48 H new ATOM 0 HB2 PHE B 33 4.343 7.236 2.101 1.00 0.53 H new ATOM 0 HB3 PHE B 33 3.808 8.862 2.476 1.00 0.53 H new ATOM 0 HD1 PHE B 33 1.692 9.227 3.697 1.00 0.70 H new ATOM 0 HD2 PHE B 33 3.220 5.307 3.031 1.00 0.65 H new ATOM 0 HE1 PHE B 33 0.209 8.355 5.450 1.00 0.85 H new ATOM 0 HE2 PHE B 33 1.743 4.431 4.788 1.00 0.78 H new ATOM 0 HZ PHE B 33 0.238 5.955 6.004 1.00 0.86 H new ATOM 1549 N ALA B 34 2.754 10.300 0.078 1.00 0.50 N ATOM 1550 CA ALA B 34 3.250 11.493 -0.605 1.00 0.55 C ATOM 1551 C ALA B 34 4.078 12.369 0.339 1.00 0.54 C ATOM 1552 O ALA B 34 4.635 11.884 1.325 1.00 0.58 O ATOM 1553 CB ALA B 34 2.093 12.285 -1.198 1.00 0.61 C ATOM 0 H ALA B 34 1.877 10.434 0.581 1.00 0.50 H new ATOM 0 HA ALA B 34 3.903 11.170 -1.416 1.00 0.55 H new ATOM 0 HB1 ALA B 34 2.479 13.170 -1.703 1.00 0.61 H new ATOM 0 HB2 ALA B 34 1.556 11.664 -1.915 1.00 0.61 H new ATOM 0 HB3 ALA B 34 1.414 12.589 -0.401 1.00 0.61 H new ATOM 1559 N ILE B 35 4.164 13.660 0.019 1.00 0.60 N ATOM 1560 CA ILE B 35 4.922 14.614 0.827 1.00 0.63 C ATOM 1561 C ILE B 35 4.200 14.935 2.139 1.00 0.59 C ATOM 1562 O ILE B 35 3.029 15.321 2.137 1.00 0.63 O ATOM 1563 CB ILE B 35 5.171 15.923 0.038 1.00 0.75 C ATOM 1564 CG1 ILE B 35 6.040 15.643 -1.193 1.00 0.90 C ATOM 1565 CG2 ILE B 35 5.821 16.980 0.922 1.00 0.77 C ATOM 1566 CD1 ILE B 35 6.189 16.831 -2.118 1.00 1.10 C ATOM 0 H ILE B 35 3.715 14.071 -0.800 1.00 0.60 H new ATOM 0 HA ILE B 35 5.879 14.149 1.064 1.00 0.63 H new ATOM 0 HB ILE B 35 4.207 16.310 -0.294 1.00 0.75 H new ATOM 0 HG12 ILE B 35 7.029 15.325 -0.863 1.00 0.90 H new ATOM 0 HG13 ILE B 35 5.607 14.812 -1.750 1.00 0.90 H new ATOM 0 HG21 ILE B 35 5.984 17.889 0.342 1.00 0.77 H new ATOM 0 HG22 ILE B 35 5.167 17.201 1.766 1.00 0.77 H new ATOM 0 HG23 ILE B 35 6.777 16.608 1.291 1.00 0.77 H new ATOM 0 HD11 ILE B 35 6.817 16.556 -2.965 1.00 1.10 H new ATOM 0 HD12 ILE B 35 5.207 17.137 -2.478 1.00 1.10 H new ATOM 0 HD13 ILE B 35 6.651 17.657 -1.578 1.00 1.10 H new ATOM 1578 N GLY B 36 4.908 14.766 3.255 1.00 0.58 N ATOM 1579 CA GLY B 36 4.333 15.043 4.561 1.00 0.59 C ATOM 1580 C GLY B 36 5.187 15.996 5.383 1.00 0.63 C ATOM 1581 O GLY B 36 6.072 16.656 4.840 1.00 0.63 O ATOM 0 H GLY B 36 5.874 14.440 3.277 1.00 0.58 H new ATOM 0 HA2 GLY B 36 3.338 15.470 4.433 1.00 0.59 H new ATOM 0 HA3 GLY B 36 4.211 14.107 5.106 1.00 0.59 H new ATOM 1585 N PRO B 37 4.938 16.091 6.707 1.00 0.67 N ATOM 1586 CA PRO B 37 5.692 16.973 7.600 1.00 0.73 C ATOM 1587 C PRO B 37 7.069 16.414 7.931 1.00 0.71 C ATOM 1588 O PRO B 37 7.900 17.096 8.535 1.00 0.77 O ATOM 1589 CB PRO B 37 4.825 17.035 8.868 1.00 0.79 C ATOM 1590 CG PRO B 37 3.553 16.328 8.534 1.00 0.77 C ATOM 1591 CD PRO B 37 3.888 15.369 7.431 1.00 0.69 C ATOM 0 HA PRO B 37 5.875 17.947 7.147 1.00 0.73 H new ATOM 0 HB2 PRO B 37 5.328 16.556 9.708 1.00 0.79 H new ATOM 0 HB3 PRO B 37 4.632 18.068 9.158 1.00 0.79 H new ATOM 0 HG2 PRO B 37 3.160 15.800 9.403 1.00 0.77 H new ATOM 0 HG3 PRO B 37 2.786 17.035 8.217 1.00 0.77 H new ATOM 0 HD2 PRO B 37 4.242 14.412 7.816 1.00 0.69 H new ATOM 0 HD3 PRO B 37 3.026 15.159 6.797 1.00 0.69 H new ATOM 1599 N GLN B 38 7.313 15.170 7.529 1.00 0.65 N ATOM 1600 CA GLN B 38 8.604 14.522 7.802 1.00 0.65 C ATOM 1601 C GLN B 38 9.453 14.315 6.538 1.00 0.61 C ATOM 1602 O GLN B 38 10.659 14.092 6.619 1.00 0.63 O ATOM 1603 CB GLN B 38 8.349 13.184 8.510 1.00 0.65 C ATOM 1604 CG GLN B 38 7.562 12.170 7.672 1.00 0.59 C ATOM 1605 CD GLN B 38 7.356 10.878 8.454 1.00 0.63 C ATOM 1606 OE1 GLN B 38 6.722 10.832 9.494 1.00 0.71 O ATOM 1607 NE2 GLN B 38 7.850 9.794 7.906 1.00 0.61 N ATOM 0 H GLN B 38 6.646 14.591 7.018 1.00 0.65 H new ATOM 0 HA GLN B 38 9.182 15.186 8.445 1.00 0.65 H new ATOM 0 HB2 GLN B 38 9.307 12.744 8.787 1.00 0.65 H new ATOM 0 HB3 GLN B 38 7.806 13.373 9.436 1.00 0.65 H new ATOM 0 HG2 GLN B 38 6.596 12.591 7.393 1.00 0.59 H new ATOM 0 HG3 GLN B 38 8.098 11.960 6.746 1.00 0.59 H new ATOM 0 HE21 GLN B 38 8.377 9.858 7.035 1.00 0.61 H new ATOM 0 HE22 GLN B 38 7.707 8.887 8.351 1.00 0.61 H new ATOM 1616 N CYS B 39 8.793 14.305 5.389 1.00 0.56 N ATOM 1617 CA CYS B 39 9.472 14.068 4.128 1.00 0.54 C ATOM 1618 C CYS B 39 9.017 15.049 3.063 1.00 0.59 C ATOM 1619 O CYS B 39 7.825 15.304 2.909 1.00 0.67 O ATOM 1620 CB CYS B 39 9.199 12.636 3.660 1.00 0.48 C ATOM 1621 SG CYS B 39 10.501 11.929 2.607 1.00 0.47 S ATOM 0 H CYS B 39 7.788 14.458 5.306 1.00 0.56 H new ATOM 0 HA CYS B 39 10.541 14.210 4.285 1.00 0.54 H new ATOM 0 HB2 CYS B 39 9.071 11.999 4.535 1.00 0.48 H new ATOM 0 HB3 CYS B 39 8.257 12.619 3.112 1.00 0.48 H new ATOM 1626 N SER B 40 9.972 15.546 2.283 1.00 0.64 N ATOM 1627 CA SER B 40 9.672 16.481 1.206 1.00 0.73 C ATOM 1628 C SER B 40 9.700 15.764 -0.151 1.00 0.72 C ATOM 1629 O SER B 40 9.798 16.403 -1.199 1.00 1.00 O ATOM 1630 CB SER B 40 10.677 17.635 1.214 1.00 0.87 C ATOM 1631 OG SER B 40 10.219 18.718 0.423 1.00 1.01 O ATOM 0 H SER B 40 10.961 15.316 2.378 1.00 0.64 H new ATOM 0 HA SER B 40 8.672 16.884 1.365 1.00 0.73 H new ATOM 0 HB2 SER B 40 10.840 17.972 2.238 1.00 0.87 H new ATOM 0 HB3 SER B 40 11.638 17.286 0.837 1.00 0.87 H new ATOM 0 HG SER B 40 9.851 18.376 -0.419 1.00 1.01 H new ATOM 1637 N LYS B 41 9.601 14.434 -0.122 1.00 0.66 N ATOM 1638 CA LYS B 41 9.627 13.632 -1.346 1.00 0.64 C ATOM 1639 C LYS B 41 8.731 12.399 -1.214 1.00 0.61 C ATOM 1640 O LYS B 41 8.433 11.954 -0.104 1.00 0.61 O ATOM 1641 CB LYS B 41 11.068 13.200 -1.654 1.00 0.64 C ATOM 1642 CG LYS B 41 11.250 12.594 -3.037 1.00 0.71 C ATOM 1643 CD LYS B 41 12.659 12.059 -3.232 1.00 0.81 C ATOM 1644 CE LYS B 41 12.787 11.295 -4.541 1.00 0.97 C ATOM 1645 NZ LYS B 41 14.138 10.687 -4.701 1.00 1.16 N ATOM 0 H LYS B 41 9.502 13.890 0.735 1.00 0.66 H new ATOM 0 HA LYS B 41 9.247 14.243 -2.165 1.00 0.64 H new ATOM 0 HB2 LYS B 41 11.724 14.065 -1.559 1.00 0.64 H new ATOM 0 HB3 LYS B 41 11.387 12.474 -0.906 1.00 0.64 H new ATOM 0 HG2 LYS B 41 10.531 11.787 -3.179 1.00 0.71 H new ATOM 0 HG3 LYS B 41 11.038 13.347 -3.796 1.00 0.71 H new ATOM 0 HD2 LYS B 41 13.369 12.886 -3.221 1.00 0.81 H new ATOM 0 HD3 LYS B 41 12.920 11.405 -2.400 1.00 0.81 H new ATOM 0 HE2 LYS B 41 12.030 10.512 -4.580 1.00 0.97 H new ATOM 0 HE3 LYS B 41 12.591 11.969 -5.375 1.00 0.97 H new ATOM 0 HZ1 LYS B 41 14.184 10.176 -5.605 1.00 1.16 H new ATOM 0 HZ2 LYS B 41 14.859 11.436 -4.690 1.00 1.16 H new ATOM 0 HZ3 LYS B 41 14.315 10.024 -3.919 1.00 1.16 H new ATOM 1659 N VAL B 42 8.297 11.857 -2.353 1.00 0.61 N ATOM 1660 CA VAL B 42 7.450 10.667 -2.367 1.00 0.62 C ATOM 1661 C VAL B 42 8.302 9.405 -2.205 1.00 0.60 C ATOM 1662 O VAL B 42 9.362 9.275 -2.822 1.00 0.68 O ATOM 1663 CB VAL B 42 6.607 10.571 -3.663 1.00 0.68 C ATOM 1664 CG1 VAL B 42 5.654 11.752 -3.766 1.00 0.72 C ATOM 1665 CG2 VAL B 42 7.493 10.496 -4.900 1.00 0.78 C ATOM 0 H VAL B 42 8.519 12.225 -3.278 1.00 0.61 H new ATOM 0 HA VAL B 42 6.760 10.750 -1.527 1.00 0.62 H new ATOM 0 HB VAL B 42 6.025 9.651 -3.613 1.00 0.68 H new ATOM 0 HG11 VAL B 42 5.069 11.669 -4.682 1.00 0.72 H new ATOM 0 HG12 VAL B 42 4.983 11.754 -2.907 1.00 0.72 H new ATOM 0 HG13 VAL B 42 6.225 12.680 -3.783 1.00 0.72 H new ATOM 0 HG21 VAL B 42 6.869 10.430 -5.791 1.00 0.78 H new ATOM 0 HG22 VAL B 42 8.114 11.390 -4.958 1.00 0.78 H new ATOM 0 HG23 VAL B 42 8.131 9.615 -4.838 1.00 0.78 H new ATOM 1675 N GLU B 43 7.842 8.486 -1.361 1.00 0.56 N ATOM 1676 CA GLU B 43 8.578 7.251 -1.106 1.00 0.54 C ATOM 1677 C GLU B 43 7.634 6.054 -1.158 1.00 0.53 C ATOM 1678 O GLU B 43 6.581 6.057 -0.520 1.00 0.57 O ATOM 1679 CB GLU B 43 9.277 7.323 0.257 1.00 0.54 C ATOM 1680 CG GLU B 43 10.041 8.622 0.471 1.00 0.61 C ATOM 1681 CD GLU B 43 10.678 8.720 1.835 1.00 0.68 C ATOM 1682 OE1 GLU B 43 9.970 8.523 2.842 1.00 0.80 O ATOM 1683 OE2 GLU B 43 11.888 9.005 1.897 1.00 0.77 O ATOM 0 H GLU B 43 6.967 8.572 -0.844 1.00 0.56 H new ATOM 0 HA GLU B 43 9.336 7.128 -1.879 1.00 0.54 H new ATOM 0 HB2 GLU B 43 8.533 7.212 1.046 1.00 0.54 H new ATOM 0 HB3 GLU B 43 9.967 6.484 0.349 1.00 0.54 H new ATOM 0 HG2 GLU B 43 10.815 8.710 -0.291 1.00 0.61 H new ATOM 0 HG3 GLU B 43 9.361 9.463 0.334 1.00 0.61 H new ATOM 1690 N VAL B 44 8.016 5.030 -1.917 1.00 0.51 N ATOM 1691 CA VAL B 44 7.180 3.842 -2.057 1.00 0.51 C ATOM 1692 C VAL B 44 7.659 2.690 -1.177 1.00 0.49 C ATOM 1693 O VAL B 44 8.676 2.050 -1.447 1.00 0.53 O ATOM 1694 CB VAL B 44 7.089 3.362 -3.522 1.00 0.55 C ATOM 1695 CG1 VAL B 44 6.068 4.181 -4.290 1.00 0.60 C ATOM 1696 CG2 VAL B 44 8.443 3.434 -4.206 1.00 0.59 C ATOM 0 H VAL B 44 8.891 4.999 -2.440 1.00 0.51 H new ATOM 0 HA VAL B 44 6.186 4.144 -1.725 1.00 0.51 H new ATOM 0 HB VAL B 44 6.767 2.321 -3.513 1.00 0.55 H new ATOM 0 HG11 VAL B 44 6.018 3.828 -5.320 1.00 0.60 H new ATOM 0 HG12 VAL B 44 5.089 4.074 -3.822 1.00 0.60 H new ATOM 0 HG13 VAL B 44 6.362 5.231 -4.280 1.00 0.60 H new ATOM 0 HG21 VAL B 44 8.349 3.090 -5.236 1.00 0.59 H new ATOM 0 HG22 VAL B 44 8.800 4.464 -4.198 1.00 0.59 H new ATOM 0 HG23 VAL B 44 9.153 2.800 -3.675 1.00 0.59 H new ATOM 1706 N VAL B 45 6.915 2.452 -0.112 1.00 0.47 N ATOM 1707 CA VAL B 45 7.204 1.355 0.835 1.00 0.46 C ATOM 1708 C VAL B 45 6.413 0.082 0.458 1.00 0.48 C ATOM 1709 O VAL B 45 5.401 0.114 -0.244 1.00 0.51 O ATOM 1710 CB VAL B 45 7.000 1.775 2.311 1.00 0.46 C ATOM 1711 CG1 VAL B 45 7.116 3.270 2.507 1.00 0.61 C ATOM 1712 CG2 VAL B 45 5.615 1.556 2.874 1.00 0.62 C ATOM 0 H VAL B 45 6.093 3.004 0.133 1.00 0.47 H new ATOM 0 HA VAL B 45 8.264 1.115 0.748 1.00 0.46 H new ATOM 0 HB VAL B 45 7.760 1.161 2.795 1.00 0.46 H new ATOM 0 HG11 VAL B 45 6.965 3.512 3.559 1.00 0.61 H new ATOM 0 HG12 VAL B 45 8.107 3.602 2.197 1.00 0.61 H new ATOM 0 HG13 VAL B 45 6.360 3.775 1.906 1.00 0.61 H new ATOM 0 HG21 VAL B 45 5.588 1.885 3.913 1.00 0.62 H new ATOM 0 HG22 VAL B 45 4.891 2.128 2.293 1.00 0.62 H new ATOM 0 HG23 VAL B 45 5.365 0.496 2.823 1.00 0.62 H new ATOM 1722 N ALA B 46 6.991 -1.058 0.790 1.00 0.48 N ATOM 1723 CA ALA B 46 6.376 -2.371 0.508 1.00 0.51 C ATOM 1724 C ALA B 46 6.587 -3.342 1.672 1.00 0.51 C ATOM 1725 O ALA B 46 7.529 -3.196 2.457 1.00 0.50 O ATOM 1726 CB ALA B 46 6.966 -2.956 -0.780 1.00 0.55 C ATOM 0 H ALA B 46 7.894 -1.115 1.260 1.00 0.48 H new ATOM 0 HA ALA B 46 5.303 -2.226 0.381 1.00 0.51 H new ATOM 0 HB1 ALA B 46 6.509 -3.924 -0.983 1.00 0.55 H new ATOM 0 HB2 ALA B 46 6.767 -2.280 -1.611 1.00 0.55 H new ATOM 0 HB3 ALA B 46 8.043 -3.081 -0.663 1.00 0.55 H new ATOM 1732 N SER B 47 5.669 -4.290 1.786 1.00 0.54 N ATOM 1733 CA SER B 47 5.741 -5.354 2.804 1.00 0.57 C ATOM 1734 C SER B 47 5.698 -6.732 2.141 1.00 0.60 C ATOM 1735 O SER B 47 4.863 -7.015 1.273 1.00 0.63 O ATOM 1736 CB SER B 47 4.588 -5.252 3.803 1.00 0.60 C ATOM 1737 OG SER B 47 4.563 -3.949 4.389 1.00 0.58 O ATOM 0 H SER B 47 4.850 -4.353 1.181 1.00 0.54 H new ATOM 0 HA SER B 47 6.683 -5.227 3.337 1.00 0.57 H new ATOM 0 HB2 SER B 47 3.642 -5.452 3.300 1.00 0.60 H new ATOM 0 HB3 SER B 47 4.702 -6.007 4.581 1.00 0.60 H new ATOM 0 HG SER B 47 3.821 -3.891 5.026 1.00 0.58 H new ATOM 1743 N LEU B 48 6.611 -7.591 2.585 1.00 0.62 N ATOM 1744 CA LEU B 48 6.732 -8.947 2.065 1.00 0.67 C ATOM 1745 C LEU B 48 5.731 -9.891 2.727 1.00 0.71 C ATOM 1746 O LEU B 48 4.995 -9.501 3.638 1.00 0.70 O ATOM 1747 CB LEU B 48 8.159 -9.470 2.287 1.00 0.68 C ATOM 1748 CG LEU B 48 9.258 -8.746 1.500 1.00 0.70 C ATOM 1749 CD1 LEU B 48 9.795 -7.556 2.285 1.00 0.70 C ATOM 1750 CD2 LEU B 48 10.387 -9.707 1.157 1.00 0.75 C ATOM 0 H LEU B 48 7.287 -7.366 3.315 1.00 0.62 H new ATOM 0 HA LEU B 48 6.515 -8.915 0.997 1.00 0.67 H new ATOM 0 HB2 LEU B 48 8.391 -9.400 3.350 1.00 0.68 H new ATOM 0 HB3 LEU B 48 8.185 -10.527 2.024 1.00 0.68 H new ATOM 0 HG LEU B 48 8.822 -8.374 0.573 1.00 0.70 H new ATOM 0 HD11 LEU B 48 10.573 -7.059 1.706 1.00 0.70 H new ATOM 0 HD12 LEU B 48 8.985 -6.854 2.481 1.00 0.70 H new ATOM 0 HD13 LEU B 48 10.212 -7.902 3.231 1.00 0.70 H new ATOM 0 HD21 LEU B 48 11.159 -9.177 0.599 1.00 0.75 H new ATOM 0 HD22 LEU B 48 10.815 -10.108 2.076 1.00 0.75 H new ATOM 0 HD23 LEU B 48 9.997 -10.525 0.551 1.00 0.75 H new ATOM 1762 N LYS B 49 5.712 -11.139 2.262 1.00 0.76 N ATOM 1763 CA LYS B 49 4.814 -12.157 2.801 1.00 0.82 C ATOM 1764 C LYS B 49 5.354 -12.709 4.123 1.00 0.84 C ATOM 1765 O LYS B 49 4.606 -13.248 4.942 1.00 0.89 O ATOM 1766 CB LYS B 49 4.637 -13.287 1.775 1.00 0.89 C ATOM 1767 CG LYS B 49 3.806 -14.466 2.269 1.00 0.98 C ATOM 1768 CD LYS B 49 2.362 -14.071 2.543 1.00 1.05 C ATOM 1769 CE LYS B 49 1.548 -15.254 3.043 1.00 1.23 C ATOM 1770 NZ LYS B 49 2.072 -15.789 4.332 1.00 1.27 N ATOM 0 H LYS B 49 6.313 -11.470 1.508 1.00 0.76 H new ATOM 0 HA LYS B 49 3.843 -11.703 2.998 1.00 0.82 H new ATOM 0 HB2 LYS B 49 4.168 -12.878 0.880 1.00 0.89 H new ATOM 0 HB3 LYS B 49 5.621 -13.651 1.481 1.00 0.89 H new ATOM 0 HG2 LYS B 49 3.829 -15.263 1.525 1.00 0.98 H new ATOM 0 HG3 LYS B 49 4.251 -14.867 3.180 1.00 0.98 H new ATOM 0 HD2 LYS B 49 2.336 -13.271 3.283 1.00 1.05 H new ATOM 0 HD3 LYS B 49 1.912 -13.677 1.632 1.00 1.05 H new ATOM 0 HE2 LYS B 49 0.509 -14.950 3.172 1.00 1.23 H new ATOM 0 HE3 LYS B 49 1.558 -16.044 2.292 1.00 1.23 H new ATOM 0 HZ1 LYS B 49 1.367 -16.426 4.756 1.00 1.27 H new ATOM 0 HZ2 LYS B 49 2.953 -16.314 4.158 1.00 1.27 H new ATOM 0 HZ3 LYS B 49 2.262 -15.001 4.983 1.00 1.27 H new ATOM 1784 N ASN B 50 6.661 -12.555 4.330 1.00 0.81 N ATOM 1785 CA ASN B 50 7.314 -13.032 5.547 1.00 0.84 C ATOM 1786 C ASN B 50 6.902 -12.204 6.764 1.00 0.80 C ATOM 1787 O ASN B 50 6.886 -12.703 7.889 1.00 0.97 O ATOM 1788 CB ASN B 50 8.835 -12.990 5.384 1.00 0.86 C ATOM 1789 CG ASN B 50 9.316 -13.847 4.231 1.00 0.94 C ATOM 1790 OD1 ASN B 50 9.549 -15.045 4.387 1.00 0.99 O ATOM 1791 ND2 ASN B 50 9.474 -13.234 3.064 1.00 0.97 N ATOM 0 H ASN B 50 7.290 -12.102 3.667 1.00 0.81 H new ATOM 0 HA ASN B 50 6.995 -14.061 5.712 1.00 0.84 H new ATOM 0 HB2 ASN B 50 9.152 -11.960 5.224 1.00 0.86 H new ATOM 0 HB3 ASN B 50 9.306 -13.329 6.307 1.00 0.86 H new ATOM 0 HD21 ASN B 50 9.800 -13.759 2.252 1.00 0.97 H new ATOM 0 HD22 ASN B 50 9.269 -12.238 2.979 1.00 0.97 H new ATOM 1798 N GLY B 51 6.568 -10.938 6.527 1.00 0.67 N ATOM 1799 CA GLY B 51 6.164 -10.059 7.609 1.00 0.65 C ATOM 1800 C GLY B 51 7.123 -8.898 7.796 1.00 0.60 C ATOM 1801 O GLY B 51 7.056 -8.187 8.796 1.00 0.67 O ATOM 0 H GLY B 51 6.570 -10.506 5.603 1.00 0.67 H new ATOM 0 HA2 GLY B 51 5.165 -9.673 7.407 1.00 0.65 H new ATOM 0 HA3 GLY B 51 6.104 -10.630 8.535 1.00 0.65 H new ATOM 1805 N LYS B 52 8.017 -8.706 6.826 1.00 0.57 N ATOM 1806 CA LYS B 52 9.003 -7.628 6.892 1.00 0.55 C ATOM 1807 C LYS B 52 8.608 -6.458 6.000 1.00 0.51 C ATOM 1808 O LYS B 52 7.877 -6.622 5.028 1.00 0.60 O ATOM 1809 CB LYS B 52 10.380 -8.147 6.474 1.00 0.59 C ATOM 1810 CG LYS B 52 10.925 -9.247 7.371 1.00 0.66 C ATOM 1811 CD LYS B 52 12.220 -9.827 6.819 1.00 0.79 C ATOM 1812 CE LYS B 52 13.371 -8.837 6.908 1.00 0.86 C ATOM 1813 NZ LYS B 52 14.617 -9.378 6.299 1.00 1.05 N ATOM 0 H LYS B 52 8.079 -9.282 5.987 1.00 0.57 H new ATOM 0 HA LYS B 52 9.041 -7.276 7.923 1.00 0.55 H new ATOM 0 HB2 LYS B 52 10.321 -8.522 5.452 1.00 0.59 H new ATOM 0 HB3 LYS B 52 11.084 -7.315 6.468 1.00 0.59 H new ATOM 0 HG2 LYS B 52 11.100 -8.849 8.371 1.00 0.66 H new ATOM 0 HG3 LYS B 52 10.183 -10.039 7.469 1.00 0.66 H new ATOM 0 HD2 LYS B 52 12.476 -10.731 7.371 1.00 0.79 H new ATOM 0 HD3 LYS B 52 12.072 -10.119 5.779 1.00 0.79 H new ATOM 0 HE2 LYS B 52 13.093 -7.911 6.404 1.00 0.86 H new ATOM 0 HE3 LYS B 52 13.556 -8.588 7.953 1.00 0.86 H new ATOM 0 HZ1 LYS B 52 15.377 -8.673 6.380 1.00 1.05 H new ATOM 0 HZ2 LYS B 52 14.897 -10.248 6.796 1.00 1.05 H new ATOM 0 HZ3 LYS B 52 14.448 -9.592 5.295 1.00 1.05 H new ATOM 1827 N GLU B 53 9.108 -5.277 6.339 1.00 0.53 N ATOM 1828 CA GLU B 53 8.821 -4.075 5.568 1.00 0.50 C ATOM 1829 C GLU B 53 10.111 -3.419 5.086 1.00 0.50 C ATOM 1830 O GLU B 53 11.055 -3.223 5.857 1.00 0.52 O ATOM 1831 CB GLU B 53 8.000 -3.084 6.398 1.00 0.51 C ATOM 1832 CG GLU B 53 8.577 -2.822 7.781 1.00 0.66 C ATOM 1833 CD GLU B 53 7.691 -1.921 8.624 1.00 0.66 C ATOM 1834 OE1 GLU B 53 7.812 -0.685 8.502 1.00 0.71 O ATOM 1835 OE2 GLU B 53 6.886 -2.456 9.412 1.00 0.67 O ATOM 0 H GLU B 53 9.715 -5.126 7.144 1.00 0.53 H new ATOM 0 HA GLU B 53 8.236 -4.366 4.696 1.00 0.50 H new ATOM 0 HB2 GLU B 53 7.931 -2.140 5.858 1.00 0.51 H new ATOM 0 HB3 GLU B 53 6.984 -3.465 6.504 1.00 0.51 H new ATOM 0 HG2 GLU B 53 8.719 -3.772 8.297 1.00 0.66 H new ATOM 0 HG3 GLU B 53 9.561 -2.365 7.679 1.00 0.66 H new ATOM 1842 N ILE B 54 10.145 -3.104 3.801 1.00 0.47 N ATOM 1843 CA ILE B 54 11.317 -2.456 3.180 1.00 0.47 C ATOM 1844 C ILE B 54 10.884 -1.157 2.484 1.00 0.45 C ATOM 1845 O ILE B 54 9.696 -0.829 2.414 1.00 0.43 O ATOM 1846 CB ILE B 54 12.046 -3.430 2.233 1.00 0.49 C ATOM 1847 CG1 ILE B 54 11.137 -3.856 1.066 1.00 0.47 C ATOM 1848 CG2 ILE B 54 12.617 -4.621 3.027 1.00 0.52 C ATOM 1849 CD1 ILE B 54 11.832 -4.684 -0.018 1.00 0.49 C ATOM 0 H ILE B 54 9.376 -3.283 3.155 1.00 0.47 H new ATOM 0 HA ILE B 54 12.037 -2.187 3.953 1.00 0.47 H new ATOM 0 HB ILE B 54 12.894 -2.918 1.778 1.00 0.49 H new ATOM 0 HG12 ILE B 54 10.303 -4.433 1.465 1.00 0.47 H new ATOM 0 HG13 ILE B 54 10.716 -2.962 0.607 1.00 0.47 H new ATOM 0 HG21 ILE B 54 13.129 -5.301 2.346 1.00 0.52 H new ATOM 0 HG22 ILE B 54 13.322 -4.256 3.773 1.00 0.52 H new ATOM 0 HG23 ILE B 54 11.804 -5.150 3.524 1.00 0.52 H new ATOM 0 HD11 ILE B 54 11.114 -4.938 -0.798 1.00 0.49 H new ATOM 0 HD12 ILE B 54 12.648 -4.105 -0.450 1.00 0.49 H new ATOM 0 HD13 ILE B 54 12.229 -5.599 0.422 1.00 0.49 H new ATOM 1861 N CYS B 55 11.869 -0.493 1.900 1.00 0.45 N ATOM 1862 CA CYS B 55 11.649 0.741 1.138 1.00 0.44 C ATOM 1863 C CYS B 55 12.276 0.602 -0.242 1.00 0.45 C ATOM 1864 O CYS B 55 13.411 0.159 -0.393 1.00 0.48 O ATOM 1865 CB CYS B 55 12.299 1.920 1.852 1.00 0.44 C ATOM 1866 SG CYS B 55 11.481 2.371 3.422 1.00 0.44 S ATOM 0 H CYS B 55 12.845 -0.788 1.937 1.00 0.45 H new ATOM 0 HA CYS B 55 10.576 0.913 1.050 1.00 0.44 H new ATOM 0 HB2 CYS B 55 13.343 1.681 2.053 1.00 0.44 H new ATOM 0 HB3 CYS B 55 12.292 2.784 1.188 1.00 0.44 H new ATOM 1871 N LEU B 56 11.537 1.079 -1.216 1.00 0.44 N ATOM 1872 CA LEU B 56 11.965 1.003 -2.609 1.00 0.47 C ATOM 1873 C LEU B 56 12.214 2.425 -3.125 1.00 0.48 C ATOM 1874 O LEU B 56 11.598 3.390 -2.667 1.00 0.46 O ATOM 1875 CB LEU B 56 10.830 0.253 -3.318 1.00 0.46 C ATOM 1876 CG LEU B 56 10.500 -1.170 -2.844 1.00 0.46 C ATOM 1877 CD1 LEU B 56 9.507 -1.798 -3.821 1.00 0.47 C ATOM 1878 CD2 LEU B 56 11.741 -2.056 -2.710 1.00 0.49 C ATOM 0 H LEU B 56 10.631 1.527 -1.077 1.00 0.44 H new ATOM 0 HA LEU B 56 12.903 0.474 -2.777 1.00 0.47 H new ATOM 0 HB2 LEU B 56 9.925 0.854 -3.227 1.00 0.46 H new ATOM 0 HB3 LEU B 56 11.074 0.203 -4.379 1.00 0.46 H new ATOM 0 HG LEU B 56 10.065 -1.097 -1.847 1.00 0.46 H new ATOM 0 HD11 LEU B 56 9.265 -2.809 -3.494 1.00 0.47 H new ATOM 0 HD12 LEU B 56 8.597 -1.199 -3.850 1.00 0.47 H new ATOM 0 HD13 LEU B 56 9.950 -1.834 -4.816 1.00 0.47 H new ATOM 0 HD21 LEU B 56 11.444 -3.049 -2.372 1.00 0.49 H new ATOM 0 HD22 LEU B 56 12.238 -2.135 -3.677 1.00 0.49 H new ATOM 0 HD23 LEU B 56 12.426 -1.616 -1.985 1.00 0.49 H new ATOM 1890 N ASP B 57 13.089 2.570 -4.111 1.00 0.50 N ATOM 1891 CA ASP B 57 13.357 3.889 -4.687 1.00 0.52 C ATOM 1892 C ASP B 57 12.746 3.998 -6.085 1.00 0.54 C ATOM 1893 O ASP B 57 13.138 3.259 -6.988 1.00 0.59 O ATOM 1894 CB ASP B 57 14.859 4.160 -4.760 1.00 0.57 C ATOM 1895 CG ASP B 57 15.196 5.615 -4.497 1.00 0.58 C ATOM 1896 OD1 ASP B 57 14.714 6.486 -5.251 1.00 0.60 O ATOM 1897 OD2 ASP B 57 15.942 5.884 -3.532 1.00 0.63 O ATOM 0 H ASP B 57 13.621 1.805 -4.527 1.00 0.50 H new ATOM 0 HA ASP B 57 12.899 4.635 -4.037 1.00 0.52 H new ATOM 0 HB2 ASP B 57 15.375 3.533 -4.033 1.00 0.57 H new ATOM 0 HB3 ASP B 57 15.229 3.876 -5.745 1.00 0.57 H new ATOM 1902 N PRO B 58 11.782 4.933 -6.288 1.00 0.55 N ATOM 1903 CA PRO B 58 11.118 5.135 -7.595 1.00 0.61 C ATOM 1904 C PRO B 58 12.114 5.485 -8.700 1.00 0.69 C ATOM 1905 O PRO B 58 11.802 5.415 -9.891 1.00 0.83 O ATOM 1906 CB PRO B 58 10.171 6.313 -7.343 1.00 0.64 C ATOM 1907 CG PRO B 58 9.997 6.379 -5.867 1.00 0.60 C ATOM 1908 CD PRO B 58 11.276 5.866 -5.267 1.00 0.57 C ATOM 0 HA PRO B 58 10.612 4.232 -7.935 1.00 0.61 H new ATOM 0 HB2 PRO B 58 10.590 7.242 -7.730 1.00 0.64 H new ATOM 0 HB3 PRO B 58 9.215 6.161 -7.844 1.00 0.64 H new ATOM 0 HG2 PRO B 58 9.799 7.401 -5.544 1.00 0.60 H new ATOM 0 HG3 PRO B 58 9.148 5.774 -5.548 1.00 0.60 H new ATOM 0 HD2 PRO B 58 11.982 6.674 -5.076 1.00 0.57 H new ATOM 0 HD3 PRO B 58 11.100 5.364 -4.316 1.00 0.57 H new ATOM 1916 N GLU B 59 13.307 5.863 -8.270 1.00 0.65 N ATOM 1917 CA GLU B 59 14.421 6.222 -9.159 1.00 0.77 C ATOM 1918 C GLU B 59 14.948 5.036 -9.998 1.00 0.82 C ATOM 1919 O GLU B 59 15.672 5.227 -10.974 1.00 0.91 O ATOM 1920 CB GLU B 59 15.540 6.829 -8.309 1.00 0.83 C ATOM 1921 CG GLU B 59 16.638 7.436 -9.184 1.00 1.10 C ATOM 1922 CD GLU B 59 17.743 8.093 -8.366 1.00 1.18 C ATOM 1923 OE1 GLU B 59 18.372 7.368 -7.560 1.00 1.40 O ATOM 1924 OE2 GLU B 59 17.925 9.309 -8.570 1.00 1.28 O ATOM 0 H GLU B 59 13.541 5.933 -7.280 1.00 0.65 H new ATOM 0 HA GLU B 59 14.051 6.946 -9.885 1.00 0.77 H new ATOM 0 HB2 GLU B 59 15.127 7.597 -7.656 1.00 0.83 H new ATOM 0 HB3 GLU B 59 15.968 6.060 -7.666 1.00 0.83 H new ATOM 0 HG2 GLU B 59 17.070 6.656 -9.811 1.00 1.10 H new ATOM 0 HG3 GLU B 59 16.197 8.175 -9.853 1.00 1.10 H new ATOM 1931 N ALA B 60 14.601 3.818 -9.600 1.00 0.80 N ATOM 1932 CA ALA B 60 15.055 2.613 -10.298 1.00 0.88 C ATOM 1933 C ALA B 60 13.949 2.068 -11.220 1.00 0.91 C ATOM 1934 O ALA B 60 12.809 1.889 -10.780 1.00 0.89 O ATOM 1935 CB ALA B 60 15.476 1.592 -9.245 1.00 0.88 C ATOM 0 H ALA B 60 14.004 3.634 -8.794 1.00 0.80 H new ATOM 0 HA ALA B 60 15.906 2.840 -10.940 1.00 0.88 H new ATOM 0 HB1 ALA B 60 15.820 0.682 -9.737 1.00 0.88 H new ATOM 0 HB2 ALA B 60 16.284 2.005 -8.641 1.00 0.88 H new ATOM 0 HB3 ALA B 60 14.626 1.359 -8.604 1.00 0.88 H new ATOM 1941 N PRO B 61 14.314 1.699 -12.454 1.00 0.99 N ATOM 1942 CA PRO B 61 13.370 1.183 -13.466 1.00 1.03 C ATOM 1943 C PRO B 61 12.745 -0.166 -13.083 1.00 1.03 C ATOM 1944 O PRO B 61 11.525 -0.308 -13.110 1.00 1.01 O ATOM 1945 CB PRO B 61 14.197 1.080 -14.749 1.00 1.15 C ATOM 1946 CG PRO B 61 15.616 0.818 -14.239 1.00 1.19 C ATOM 1947 CD PRO B 61 15.695 1.681 -12.981 1.00 1.07 C ATOM 0 HA PRO B 61 12.511 1.846 -13.573 1.00 1.03 H new ATOM 0 HB2 PRO B 61 13.845 0.271 -15.390 1.00 1.15 H new ATOM 0 HB3 PRO B 61 14.144 1.997 -15.335 1.00 1.15 H new ATOM 0 HG2 PRO B 61 15.776 -0.237 -14.015 1.00 1.19 H new ATOM 0 HG3 PRO B 61 16.368 1.106 -14.973 1.00 1.19 H new ATOM 0 HD2 PRO B 61 16.391 1.261 -12.255 1.00 1.07 H new ATOM 0 HD3 PRO B 61 16.044 2.687 -13.212 1.00 1.07 H new ATOM 1955 N PHE B 62 13.568 -1.066 -12.537 1.00 1.06 N ATOM 1956 CA PHE B 62 13.105 -2.386 -12.054 1.00 1.08 C ATOM 1957 C PHE B 62 12.064 -2.251 -10.937 1.00 0.98 C ATOM 1958 O PHE B 62 11.175 -3.083 -10.788 1.00 0.98 O ATOM 1959 CB PHE B 62 14.275 -3.245 -11.562 1.00 1.15 C ATOM 1960 CG PHE B 62 14.988 -2.657 -10.342 1.00 1.11 C ATOM 1961 CD1 PHE B 62 14.545 -2.963 -9.062 1.00 1.07 C ATOM 1962 CD2 PHE B 62 16.099 -1.844 -10.522 1.00 1.14 C ATOM 1963 CE1 PHE B 62 15.212 -2.456 -7.959 1.00 1.07 C ATOM 1964 CE2 PHE B 62 16.775 -1.350 -9.416 1.00 1.14 C ATOM 1965 CZ PHE B 62 16.326 -1.647 -8.138 1.00 1.10 C ATOM 0 H PHE B 62 14.568 -0.909 -12.414 1.00 1.06 H new ATOM 0 HA PHE B 62 12.637 -2.880 -12.906 1.00 1.08 H new ATOM 0 HB2 PHE B 62 13.906 -4.240 -11.314 1.00 1.15 H new ATOM 0 HB3 PHE B 62 14.995 -3.364 -12.372 1.00 1.15 H new ATOM 0 HD1 PHE B 62 13.681 -3.596 -8.927 1.00 1.07 H new ATOM 0 HD2 PHE B 62 16.435 -1.597 -11.518 1.00 1.14 H new ATOM 0 HE1 PHE B 62 14.867 -2.689 -6.963 1.00 1.07 H new ATOM 0 HE2 PHE B 62 17.652 -0.734 -9.550 1.00 1.14 H new ATOM 0 HZ PHE B 62 16.845 -1.248 -7.279 1.00 1.10 H new ATOM 1975 N LEU B 63 12.154 -1.148 -10.215 1.00 0.90 N ATOM 1976 CA LEU B 63 11.228 -0.858 -9.145 1.00 0.80 C ATOM 1977 C LEU B 63 9.848 -0.551 -9.709 1.00 0.83 C ATOM 1978 O LEU B 63 8.844 -1.021 -9.188 1.00 0.83 O ATOM 1979 CB LEU B 63 11.733 0.330 -8.349 1.00 0.71 C ATOM 1980 CG LEU B 63 11.496 0.243 -6.856 1.00 0.64 C ATOM 1981 CD1 LEU B 63 12.836 0.188 -6.142 1.00 0.62 C ATOM 1982 CD2 LEU B 63 10.649 1.423 -6.392 1.00 0.62 C ATOM 0 H LEU B 63 12.869 -0.434 -10.356 1.00 0.90 H new ATOM 0 HA LEU B 63 11.153 -1.729 -8.494 1.00 0.80 H new ATOM 0 HB2 LEU B 63 12.803 0.440 -8.527 1.00 0.71 H new ATOM 0 HB3 LEU B 63 11.253 1.233 -8.727 1.00 0.71 H new ATOM 0 HG LEU B 63 10.944 -0.665 -6.614 1.00 0.64 H new ATOM 0 HD11 LEU B 63 12.673 0.125 -5.066 1.00 0.62 H new ATOM 0 HD12 LEU B 63 13.391 -0.689 -6.477 1.00 0.62 H new ATOM 0 HD13 LEU B 63 13.407 1.088 -6.370 1.00 0.62 H new ATOM 0 HD21 LEU B 63 10.484 1.352 -5.317 1.00 0.62 H new ATOM 0 HD22 LEU B 63 11.168 2.355 -6.619 1.00 0.62 H new ATOM 0 HD23 LEU B 63 9.689 1.407 -6.908 1.00 0.62 H new ATOM 1994 N LYS B 64 9.820 0.228 -10.792 1.00 0.87 N ATOM 1995 CA LYS B 64 8.572 0.613 -11.453 1.00 0.93 C ATOM 1996 C LYS B 64 7.838 -0.612 -12.003 1.00 0.97 C ATOM 1997 O LYS B 64 6.621 -0.607 -12.139 1.00 1.03 O ATOM 1998 CB LYS B 64 8.874 1.599 -12.586 1.00 1.02 C ATOM 1999 CG LYS B 64 7.640 2.276 -13.159 1.00 1.12 C ATOM 2000 CD LYS B 64 8.005 3.299 -14.226 1.00 1.30 C ATOM 2001 CE LYS B 64 8.593 2.640 -15.465 1.00 1.47 C ATOM 2002 NZ LYS B 64 8.930 3.637 -16.519 1.00 1.71 N ATOM 0 H LYS B 64 10.657 0.608 -11.234 1.00 0.87 H new ATOM 0 HA LYS B 64 7.924 1.090 -10.717 1.00 0.93 H new ATOM 0 HB2 LYS B 64 9.557 2.364 -12.216 1.00 1.02 H new ATOM 0 HB3 LYS B 64 9.391 1.070 -13.387 1.00 1.02 H new ATOM 0 HG2 LYS B 64 6.978 1.524 -13.587 1.00 1.12 H new ATOM 0 HG3 LYS B 64 7.089 2.767 -12.357 1.00 1.12 H new ATOM 0 HD2 LYS B 64 7.117 3.867 -14.503 1.00 1.30 H new ATOM 0 HD3 LYS B 64 8.723 4.010 -13.817 1.00 1.30 H new ATOM 0 HE2 LYS B 64 9.490 2.086 -15.190 1.00 1.47 H new ATOM 0 HE3 LYS B 64 7.881 1.917 -15.864 1.00 1.47 H new ATOM 0 HZ1 LYS B 64 9.328 3.147 -17.346 1.00 1.71 H new ATOM 0 HZ2 LYS B 64 8.070 4.149 -16.801 1.00 1.71 H new ATOM 0 HZ3 LYS B 64 9.628 4.312 -16.148 1.00 1.71 H new ATOM 2016 N LYS B 65 8.603 -1.649 -12.312 1.00 0.98 N ATOM 2017 CA LYS B 65 8.076 -2.921 -12.842 1.00 1.04 C ATOM 2018 C LYS B 65 7.403 -3.783 -11.772 1.00 1.02 C ATOM 2019 O LYS B 65 6.203 -4.042 -11.844 1.00 1.07 O ATOM 2020 CB LYS B 65 9.209 -3.710 -13.487 1.00 1.07 C ATOM 2021 CG LYS B 65 9.770 -2.985 -14.710 1.00 1.14 C ATOM 2022 CD LYS B 65 10.825 -3.841 -15.416 1.00 1.20 C ATOM 2023 CE LYS B 65 10.242 -5.126 -16.018 1.00 1.27 C ATOM 2024 NZ LYS B 65 9.245 -4.834 -17.059 1.00 1.36 N ATOM 0 H LYS B 65 9.617 -1.642 -12.205 1.00 0.98 H new ATOM 0 HA LYS B 65 7.312 -2.668 -13.577 1.00 1.04 H new ATOM 0 HB2 LYS B 65 10.005 -3.867 -12.759 1.00 1.07 H new ATOM 0 HB3 LYS B 65 8.847 -4.695 -13.781 1.00 1.07 H new ATOM 0 HG2 LYS B 65 8.961 -2.753 -15.403 1.00 1.14 H new ATOM 0 HG3 LYS B 65 10.211 -2.036 -14.405 1.00 1.14 H new ATOM 0 HD2 LYS B 65 11.293 -3.254 -16.207 1.00 1.20 H new ATOM 0 HD3 LYS B 65 11.610 -4.101 -14.706 1.00 1.20 H new ATOM 0 HE2 LYS B 65 11.046 -5.727 -16.442 1.00 1.27 H new ATOM 0 HE3 LYS B 65 9.782 -5.721 -15.229 1.00 1.27 H new ATOM 0 HZ1 LYS B 65 9.023 -5.706 -17.581 1.00 1.36 H new ATOM 0 HZ2 LYS B 65 8.379 -4.465 -16.617 1.00 1.36 H new ATOM 0 HZ3 LYS B 65 9.627 -4.125 -17.716 1.00 1.36 H new ATOM 2038 N VAL B 66 8.144 -4.082 -10.707 1.00 0.96 N ATOM 2039 CA VAL B 66 7.607 -4.863 -9.599 1.00 0.95 C ATOM 2040 C VAL B 66 6.430 -4.137 -8.923 1.00 0.95 C ATOM 2041 O VAL B 66 5.531 -4.784 -8.394 1.00 0.97 O ATOM 2042 CB VAL B 66 8.689 -5.200 -8.549 1.00 0.92 C ATOM 2043 CG1 VAL B 66 9.844 -5.934 -9.205 1.00 0.93 C ATOM 2044 CG2 VAL B 66 9.185 -3.949 -7.836 1.00 0.91 C ATOM 0 H VAL B 66 9.116 -3.795 -10.590 1.00 0.96 H new ATOM 0 HA VAL B 66 7.246 -5.799 -10.025 1.00 0.95 H new ATOM 0 HB VAL B 66 8.238 -5.849 -7.798 1.00 0.92 H new ATOM 0 HG11 VAL B 66 10.600 -6.166 -8.455 1.00 0.93 H new ATOM 0 HG12 VAL B 66 9.480 -6.859 -9.652 1.00 0.93 H new ATOM 0 HG13 VAL B 66 10.282 -5.305 -9.980 1.00 0.93 H new ATOM 0 HG21 VAL B 66 9.945 -4.224 -7.105 1.00 0.91 H new ATOM 0 HG22 VAL B 66 9.614 -3.261 -8.564 1.00 0.91 H new ATOM 0 HG23 VAL B 66 8.351 -3.465 -7.328 1.00 0.91 H new ATOM 2054 N ILE B 67 6.431 -2.791 -8.948 1.00 0.95 N ATOM 2055 CA ILE B 67 5.330 -2.029 -8.351 1.00 0.97 C ATOM 2056 C ILE B 67 4.188 -1.882 -9.350 1.00 1.02 C ATOM 2057 O ILE B 67 3.053 -1.601 -8.971 1.00 1.08 O ATOM 2058 CB ILE B 67 5.741 -0.630 -7.825 1.00 0.99 C ATOM 2059 CG1 ILE B 67 6.124 0.308 -8.973 1.00 1.00 C ATOM 2060 CG2 ILE B 67 6.875 -0.749 -6.815 1.00 0.98 C ATOM 2061 CD1 ILE B 67 6.486 1.707 -8.519 1.00 1.07 C ATOM 0 H ILE B 67 7.167 -2.223 -9.367 1.00 0.95 H new ATOM 0 HA ILE B 67 5.009 -2.604 -7.483 1.00 0.97 H new ATOM 0 HB ILE B 67 4.878 -0.195 -7.321 1.00 0.99 H new ATOM 0 HG12 ILE B 67 6.969 -0.119 -9.514 1.00 1.00 H new ATOM 0 HG13 ILE B 67 5.293 0.367 -9.676 1.00 1.00 H new ATOM 0 HG21 ILE B 67 7.149 0.243 -6.457 1.00 0.98 H new ATOM 0 HG22 ILE B 67 6.550 -1.361 -5.974 1.00 0.98 H new ATOM 0 HG23 ILE B 67 7.738 -1.215 -7.290 1.00 0.98 H new ATOM 0 HD11 ILE B 67 6.746 2.315 -9.386 1.00 1.07 H new ATOM 0 HD12 ILE B 67 5.635 2.154 -8.004 1.00 1.07 H new ATOM 0 HD13 ILE B 67 7.337 1.660 -7.840 1.00 1.07 H new ATOM 2073 N GLN B 68 4.497 -2.041 -10.636 1.00 1.04 N ATOM 2074 CA GLN B 68 3.452 -1.996 -11.673 1.00 1.12 C ATOM 2075 C GLN B 68 2.637 -3.298 -11.675 1.00 1.11 C ATOM 2076 O GLN B 68 1.407 -3.268 -11.707 1.00 1.15 O ATOM 2077 CB GLN B 68 4.095 -1.781 -13.037 1.00 1.19 C ATOM 2078 CG GLN B 68 3.038 -1.757 -14.133 1.00 1.30 C ATOM 2079 CD GLN B 68 3.696 -1.647 -15.503 1.00 1.39 C ATOM 2080 OE1 GLN B 68 4.798 -2.107 -15.762 1.00 1.39 O ATOM 2081 NE2 GLN B 68 2.966 -1.044 -16.410 1.00 1.52 N ATOM 0 H GLN B 68 5.442 -2.199 -10.986 1.00 1.04 H new ATOM 0 HA GLN B 68 2.777 -1.168 -11.457 1.00 1.12 H new ATOM 0 HB2 GLN B 68 4.650 -0.843 -13.039 1.00 1.19 H new ATOM 0 HB3 GLN B 68 4.813 -2.576 -13.235 1.00 1.19 H new ATOM 0 HG2 GLN B 68 2.434 -2.663 -14.084 1.00 1.30 H new ATOM 0 HG3 GLN B 68 2.363 -0.915 -13.978 1.00 1.30 H new ATOM 0 HE21 GLN B 68 2.050 -0.671 -16.162 1.00 1.52 H new ATOM 0 HE22 GLN B 68 3.314 -0.948 -17.364 1.00 1.52 H new ATOM 2090 N LYS B 69 3.334 -4.433 -11.583 1.00 1.10 N ATOM 2091 CA LYS B 69 2.694 -5.754 -11.593 1.00 1.13 C ATOM 2092 C LYS B 69 1.689 -5.946 -10.450 1.00 1.15 C ATOM 2093 O LYS B 69 0.710 -6.677 -10.604 1.00 1.23 O ATOM 2094 CB LYS B 69 3.751 -6.857 -11.518 1.00 1.11 C ATOM 2095 CG LYS B 69 4.611 -6.977 -12.765 1.00 1.16 C ATOM 2096 CD LYS B 69 5.659 -8.066 -12.607 1.00 1.24 C ATOM 2097 CE LYS B 69 6.448 -8.278 -13.887 1.00 1.40 C ATOM 2098 NZ LYS B 69 7.459 -9.363 -13.743 1.00 1.61 N ATOM 0 H LYS B 69 4.350 -4.465 -11.500 1.00 1.10 H new ATOM 0 HA LYS B 69 2.142 -5.817 -12.531 1.00 1.13 H new ATOM 0 HB2 LYS B 69 4.397 -6.669 -10.661 1.00 1.11 H new ATOM 0 HB3 LYS B 69 3.254 -7.810 -11.339 1.00 1.11 H new ATOM 0 HG2 LYS B 69 3.980 -7.198 -13.625 1.00 1.16 H new ATOM 0 HG3 LYS B 69 5.100 -6.024 -12.966 1.00 1.16 H new ATOM 0 HD2 LYS B 69 6.341 -7.800 -11.799 1.00 1.24 H new ATOM 0 HD3 LYS B 69 5.174 -8.999 -12.320 1.00 1.24 H new ATOM 0 HE2 LYS B 69 5.764 -8.525 -14.699 1.00 1.40 H new ATOM 0 HE3 LYS B 69 6.948 -7.350 -14.163 1.00 1.40 H new ATOM 0 HZ1 LYS B 69 7.976 -9.477 -14.638 1.00 1.61 H new ATOM 0 HZ2 LYS B 69 8.128 -9.116 -12.986 1.00 1.61 H new ATOM 0 HZ3 LYS B 69 6.980 -10.255 -13.505 1.00 1.61 H new ATOM 2112 N ILE B 70 1.925 -5.303 -9.307 1.00 1.14 N ATOM 2113 CA ILE B 70 1.022 -5.444 -8.164 1.00 1.20 C ATOM 2114 C ILE B 70 -0.151 -4.468 -8.235 1.00 1.31 C ATOM 2115 O ILE B 70 -1.113 -4.593 -7.477 1.00 1.43 O ATOM 2116 CB ILE B 70 1.754 -5.276 -6.815 1.00 1.18 C ATOM 2117 CG1 ILE B 70 2.645 -4.032 -6.826 1.00 1.17 C ATOM 2118 CG2 ILE B 70 2.572 -6.520 -6.507 1.00 1.29 C ATOM 2119 CD1 ILE B 70 3.452 -3.850 -5.556 1.00 1.30 C ATOM 0 H ILE B 70 2.722 -4.687 -9.148 1.00 1.14 H new ATOM 0 HA ILE B 70 0.633 -6.461 -8.220 1.00 1.20 H new ATOM 0 HB ILE B 70 1.008 -5.144 -6.032 1.00 1.18 H new ATOM 0 HG12 ILE B 70 3.327 -4.092 -7.674 1.00 1.17 H new ATOM 0 HG13 ILE B 70 2.022 -3.151 -6.980 1.00 1.17 H new ATOM 0 HG21 ILE B 70 3.084 -6.392 -5.554 1.00 1.29 H new ATOM 0 HG22 ILE B 70 1.911 -7.385 -6.450 1.00 1.29 H new ATOM 0 HG23 ILE B 70 3.308 -6.676 -7.296 1.00 1.29 H new ATOM 0 HD11 ILE B 70 4.059 -2.948 -5.637 1.00 1.30 H new ATOM 0 HD12 ILE B 70 2.776 -3.758 -4.706 1.00 1.30 H new ATOM 0 HD13 ILE B 70 4.102 -4.713 -5.411 1.00 1.30 H new