USER MOD reduce.3.24.130724 H: found=0, std=0, add=1046, rem=0, adj=17 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= -0.953 K(o=-0.95,f=0.013) USER MOD Set 1.2: B 47 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.487 K(o=-0.49,f=-4.4!) USER MOD Single : A 18 THR OG1 : rot -129:sc= -1.48! USER MOD Single : A 19 THR OG1 : rot 93:sc= 0.29 USER MOD Single : A 20 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.7!) USER MOD Single : A 23 HIS : no HD1:sc= -3.61! C(o=-3.6!,f=-14!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -137:sc= -0.0206 (180deg=-0.684) USER MOD Single : A 28 SER OG : rot -130:sc= -0.0669 USER MOD Single : A 29 ASN : amide:sc= -0.0291 K(o=-0.029,f=0.58) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 146:sc= 0.369 (180deg=0.0355) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= -0.0356 (180deg=-0.33) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.55) 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+ 170:sc=-0.00504 (180deg=-0.146) USER MOD Single : A 68 GLN : amide:sc=-0.000941 K(o=-0.00094,f=-1) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 GLN : amide:sc= -0.555 K(o=-0.55,f=-4.2!) USER MOD Single : B 18 THR OG1 : rot -127:sc= -2.83! USER MOD Single : B 19 THR OG1 : rot 92:sc= 0.298 USER MOD Single : B 20 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.8!) USER MOD Single : B 23 HIS : no HD1:sc= -3.76! C(o=-3.8!,f=-14!) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 MET CE :methyl -145:sc=-0.00207 (180deg=-0.362) USER MOD Single : B 28 SER OG : rot -110:sc= -0.219 USER MOD Single : B 31 GLN : amide:sc= -0.0656 X(o=-0.066,f=0) USER MOD Single : B 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ 170:sc= -0.0016 (180deg=-0.143) USER MOD Single : B 50 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ 169:sc= -0.015 (180deg=-0.132) USER MOD Single : B 68 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -7.656 -18.726 15.559 1.00 0.81 N ATOM 2 CA LEU A 8 -8.182 -19.223 14.269 1.00 0.78 C ATOM 3 C LEU A 8 -9.646 -19.691 14.438 1.00 0.78 C ATOM 4 O LEU A 8 -9.946 -20.840 14.752 1.00 0.80 O ATOM 5 CB LEU A 8 -7.267 -20.344 13.744 1.00 0.80 C ATOM 6 CG LEU A 8 -7.585 -20.861 12.328 1.00 0.78 C ATOM 7 CD1 LEU A 8 -6.326 -21.493 11.737 1.00 0.80 C ATOM 8 CD2 LEU A 8 -8.666 -21.948 12.301 1.00 0.78 C ATOM 0 HA LEU A 8 -8.186 -18.421 13.530 1.00 0.78 H new ATOM 0 HB2 LEU A 8 -6.238 -19.983 13.756 1.00 0.80 H new ATOM 0 HB3 LEU A 8 -7.319 -21.184 14.437 1.00 0.80 H new ATOM 0 HG LEU A 8 -7.942 -19.999 11.764 1.00 0.78 H new ATOM 0 HD11 LEU A 8 -6.541 -21.862 10.734 1.00 0.80 H new ATOM 0 HD12 LEU A 8 -5.533 -20.747 11.687 1.00 0.80 H new ATOM 0 HD13 LEU A 8 -6.004 -22.322 12.368 1.00 0.80 H new ATOM 0 HD21 LEU A 8 -8.838 -22.265 11.272 1.00 0.78 H new ATOM 0 HD22 LEU A 8 -8.338 -22.802 12.893 1.00 0.78 H new ATOM 0 HD23 LEU A 8 -9.592 -21.551 12.718 1.00 0.78 H new ATOM 20 N ARG A 9 -10.516 -18.694 14.453 1.00 0.76 N ATOM 21 CA ARG A 9 -11.963 -18.936 14.608 1.00 0.76 C ATOM 22 C ARG A 9 -12.772 -18.169 13.563 1.00 0.72 C ATOM 23 O ARG A 9 -13.393 -18.764 12.686 1.00 0.71 O ATOM 24 CB ARG A 9 -12.433 -18.674 16.051 1.00 0.79 C ATOM 25 CG ARG A 9 -12.153 -17.256 16.557 1.00 0.78 C ATOM 26 CD ARG A 9 -12.825 -16.992 17.902 1.00 0.82 C ATOM 27 NE ARG A 9 -12.596 -15.588 18.294 1.00 0.81 N ATOM 28 CZ ARG A 9 -11.466 -15.064 18.772 1.00 0.83 C ATOM 29 NH1 ARG A 9 -10.371 -15.799 18.942 1.00 0.84 N ATOM 30 NH2 ARG A 9 -11.430 -13.788 19.132 1.00 0.83 N ATOM 0 H ARG A 9 -10.259 -17.711 14.361 1.00 0.76 H new ATOM 0 HA ARG A 9 -12.148 -19.994 14.421 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -13.505 -18.864 16.112 1.00 0.79 H new ATOM 0 HB3 ARG A 9 -11.945 -19.387 16.715 1.00 0.79 H new ATOM 0 HG2 ARG A 9 -11.077 -17.110 16.653 1.00 0.78 H new ATOM 0 HG3 ARG A 9 -12.509 -16.532 15.824 1.00 0.78 H new ATOM 0 HD2 ARG A 9 -13.894 -17.193 17.833 1.00 0.82 H new ATOM 0 HD3 ARG A 9 -12.423 -17.664 18.661 1.00 0.82 H new ATOM 0 HE ARG A 9 -13.385 -14.951 18.188 1.00 0.81 H new ATOM 0 HH11 ARG A 9 -10.381 -16.791 18.705 1.00 0.84 H new ATOM 0 HH12 ARG A 9 -9.521 -15.371 19.309 1.00 0.84 H new ATOM 0 HH21 ARG A 9 -12.265 -13.209 19.043 1.00 0.83 H new ATOM 0 HH22 ARG A 9 -10.567 -13.385 19.498 1.00 0.83 H new ATOM 44 N GLU A 10 -12.712 -16.837 13.649 1.00 0.70 N ATOM 45 CA GLU A 10 -13.518 -15.924 12.829 1.00 0.67 C ATOM 46 C GLU A 10 -12.796 -14.588 12.651 1.00 0.65 C ATOM 47 O GLU A 10 -12.456 -13.915 13.625 1.00 0.67 O ATOM 48 CB GLU A 10 -14.867 -15.662 13.506 1.00 0.69 C ATOM 49 CG GLU A 10 -15.740 -16.921 13.597 1.00 0.71 C ATOM 50 CD GLU A 10 -17.116 -16.667 14.213 1.00 0.73 C ATOM 51 OE1 GLU A 10 -17.608 -15.522 14.087 1.00 0.72 O ATOM 52 OE2 GLU A 10 -17.658 -17.636 14.783 1.00 0.76 O ATOM 0 H GLU A 10 -12.093 -16.354 14.300 1.00 0.70 H new ATOM 0 HA GLU A 10 -13.673 -16.390 11.856 1.00 0.67 H new ATOM 0 HB2 GLU A 10 -14.695 -15.271 14.509 1.00 0.69 H new ATOM 0 HB3 GLU A 10 -15.404 -14.892 12.951 1.00 0.69 H new ATOM 0 HG2 GLU A 10 -15.869 -17.337 12.598 1.00 0.71 H new ATOM 0 HG3 GLU A 10 -15.219 -17.673 14.190 1.00 0.71 H new ATOM 59 N LEU A 11 -12.448 -14.333 11.403 1.00 0.62 N ATOM 60 CA LEU A 11 -11.764 -13.091 11.005 1.00 0.60 C ATOM 61 C LEU A 11 -12.532 -12.402 9.877 1.00 0.57 C ATOM 62 O LEU A 11 -13.034 -13.052 8.959 1.00 0.56 O ATOM 63 CB LEU A 11 -10.342 -13.418 10.552 1.00 0.60 C ATOM 64 CG LEU A 11 -9.511 -13.998 11.695 1.00 0.63 C ATOM 65 CD1 LEU A 11 -8.917 -15.344 11.277 1.00 0.65 C ATOM 66 CD2 LEU A 11 -8.416 -13.016 12.110 1.00 0.64 C ATOM 0 H LEU A 11 -12.626 -14.973 10.629 1.00 0.62 H new ATOM 0 HA LEU A 11 -11.724 -12.414 11.858 1.00 0.60 H new ATOM 0 HB2 LEU A 11 -10.376 -14.130 9.728 1.00 0.60 H new ATOM 0 HB3 LEU A 11 -9.863 -12.515 10.174 1.00 0.60 H new ATOM 0 HG LEU A 11 -10.156 -14.162 12.558 1.00 0.63 H new ATOM 0 HD11 LEU A 11 -8.326 -15.751 12.097 1.00 0.65 H new ATOM 0 HD12 LEU A 11 -9.722 -16.036 11.031 1.00 0.65 H new ATOM 0 HD13 LEU A 11 -8.279 -15.205 10.404 1.00 0.65 H new ATOM 0 HD21 LEU A 11 -7.833 -13.444 12.925 1.00 0.64 H new ATOM 0 HD22 LEU A 11 -7.762 -12.820 11.260 1.00 0.64 H new ATOM 0 HD23 LEU A 11 -8.871 -12.082 12.441 1.00 0.64 H new ATOM 78 N ARG A 12 -12.584 -11.087 9.986 1.00 0.56 N ATOM 79 CA ARG A 12 -13.348 -10.241 9.051 1.00 0.54 C ATOM 80 C ARG A 12 -12.360 -9.523 8.137 1.00 0.51 C ATOM 81 O ARG A 12 -11.258 -9.167 8.561 1.00 0.51 O ATOM 82 CB ARG A 12 -14.161 -9.198 9.840 1.00 0.55 C ATOM 83 CG ARG A 12 -14.899 -9.745 11.070 1.00 0.59 C ATOM 84 CD ARG A 12 -15.728 -10.981 10.716 1.00 0.59 C ATOM 85 NE ARG A 12 -16.540 -11.427 11.848 1.00 0.63 N ATOM 86 CZ ARG A 12 -17.857 -11.264 11.851 1.00 0.65 C ATOM 87 NH1 ARG A 12 -18.391 -10.101 12.192 1.00 0.66 N ATOM 88 NH2 ARG A 12 -18.638 -12.302 11.605 1.00 0.66 N ATOM 0 H ARG A 12 -12.104 -10.565 10.719 1.00 0.56 H new ATOM 0 HA ARG A 12 -14.031 -10.856 8.465 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -13.488 -8.403 10.162 1.00 0.55 H new ATOM 0 HB3 ARG A 12 -14.891 -8.745 9.169 1.00 0.55 H new ATOM 0 HG2 ARG A 12 -14.178 -9.999 11.847 1.00 0.59 H new ATOM 0 HG3 ARG A 12 -15.550 -8.973 11.479 1.00 0.59 H new ATOM 0 HD2 ARG A 12 -16.376 -10.755 9.869 1.00 0.59 H new ATOM 0 HD3 ARG A 12 -15.065 -11.787 10.403 1.00 0.59 H new ATOM 0 HE ARG A 12 -16.087 -11.870 12.647 1.00 0.63 H new ATOM 0 HH11 ARG A 12 -17.789 -9.321 12.455 1.00 0.66 H new ATOM 0 HH12 ARG A 12 -19.404 -9.985 12.191 1.00 0.66 H new ATOM 0 HH21 ARG A 12 -18.227 -13.216 11.416 1.00 0.66 H new ATOM 0 HH22 ARG A 12 -19.652 -12.189 11.605 1.00 0.66 H new ATOM 102 N CYS A 13 -12.772 -9.304 6.891 1.00 0.49 N ATOM 103 CA CYS A 13 -11.984 -8.490 5.949 1.00 0.47 C ATOM 104 C CYS A 13 -11.701 -7.107 6.561 1.00 0.47 C ATOM 105 O CYS A 13 -12.477 -6.610 7.376 1.00 0.48 O ATOM 106 CB CYS A 13 -12.768 -8.323 4.646 1.00 0.47 C ATOM 107 SG CYS A 13 -12.772 -9.803 3.569 1.00 0.48 S ATOM 0 H CYS A 13 -13.641 -9.673 6.505 1.00 0.49 H new ATOM 0 HA CYS A 13 -11.037 -8.990 5.746 1.00 0.47 H new ATOM 0 HB2 CYS A 13 -13.798 -8.062 4.887 1.00 0.47 H new ATOM 0 HB3 CYS A 13 -12.349 -7.485 4.089 1.00 0.47 H new ATOM 112 N VAL A 14 -10.577 -6.514 6.160 1.00 0.45 N ATOM 113 CA VAL A 14 -10.205 -5.157 6.634 1.00 0.45 C ATOM 114 C VAL A 14 -11.273 -4.108 6.245 1.00 0.44 C ATOM 115 O VAL A 14 -11.485 -3.117 6.936 1.00 0.45 O ATOM 116 CB VAL A 14 -8.773 -4.774 6.189 1.00 0.44 C ATOM 117 CG1 VAL A 14 -8.574 -4.624 4.678 1.00 0.43 C ATOM 118 CG2 VAL A 14 -8.286 -3.497 6.876 1.00 0.45 C ATOM 0 H VAL A 14 -9.907 -6.935 5.516 1.00 0.45 H new ATOM 0 HA VAL A 14 -10.185 -5.172 7.724 1.00 0.45 H new ATOM 0 HB VAL A 14 -8.177 -5.631 6.502 1.00 0.44 H new ATOM 0 HG11 VAL A 14 -7.538 -4.355 4.472 1.00 0.43 H new ATOM 0 HG12 VAL A 14 -8.808 -5.567 4.185 1.00 0.43 H new ATOM 0 HG13 VAL A 14 -9.234 -3.843 4.300 1.00 0.43 H new ATOM 0 HG21 VAL A 14 -7.277 -3.263 6.536 1.00 0.45 H new ATOM 0 HG22 VAL A 14 -8.953 -2.672 6.626 1.00 0.45 H new ATOM 0 HG23 VAL A 14 -8.280 -3.644 7.956 1.00 0.45 H new ATOM 128 N CYS A 15 -11.917 -4.370 5.110 1.00 0.44 N ATOM 129 CA CYS A 15 -12.986 -3.534 4.543 1.00 0.44 C ATOM 130 C CYS A 15 -14.293 -4.314 4.428 1.00 0.46 C ATOM 131 O CYS A 15 -14.422 -5.213 3.597 1.00 0.46 O ATOM 132 CB CYS A 15 -12.594 -3.072 3.143 1.00 0.43 C ATOM 133 SG CYS A 15 -11.316 -1.785 3.160 1.00 0.42 S ATOM 0 H CYS A 15 -11.708 -5.190 4.540 1.00 0.44 H new ATOM 0 HA CYS A 15 -13.126 -2.683 5.209 1.00 0.44 H new ATOM 0 HB2 CYS A 15 -12.235 -3.927 2.570 1.00 0.43 H new ATOM 0 HB3 CYS A 15 -13.478 -2.693 2.629 1.00 0.43 H new ATOM 138 N LEU A 16 -15.200 -4.009 5.346 1.00 0.48 N ATOM 139 CA LEU A 16 -16.555 -4.590 5.314 1.00 0.51 C ATOM 140 C LEU A 16 -17.518 -3.864 4.362 1.00 0.53 C ATOM 141 O LEU A 16 -18.378 -4.487 3.730 1.00 0.55 O ATOM 142 CB LEU A 16 -17.143 -4.665 6.729 1.00 0.54 C ATOM 143 CG LEU A 16 -16.374 -5.636 7.638 1.00 0.53 C ATOM 144 CD1 LEU A 16 -16.970 -5.600 9.046 1.00 0.57 C ATOM 145 CD2 LEU A 16 -16.400 -7.074 7.099 1.00 0.53 C ATOM 0 H LEU A 16 -15.034 -3.368 6.122 1.00 0.48 H new ATOM 0 HA LEU A 16 -16.443 -5.598 4.914 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -17.134 -3.671 7.175 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -18.185 -4.978 6.669 1.00 0.54 H new ATOM 0 HG LEU A 16 -15.333 -5.314 7.663 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -16.424 -6.289 9.690 1.00 0.57 H new ATOM 0 HD12 LEU A 16 -16.893 -4.590 9.448 1.00 0.57 H new ATOM 0 HD13 LEU A 16 -18.018 -5.895 9.005 1.00 0.57 H new ATOM 0 HD21 LEU A 16 -15.844 -7.725 7.773 1.00 0.53 H new ATOM 0 HD22 LEU A 16 -17.432 -7.418 7.030 1.00 0.53 H new ATOM 0 HD23 LEU A 16 -15.942 -7.100 6.110 1.00 0.53 H new ATOM 157 N GLN A 17 -17.336 -2.567 4.246 1.00 0.53 N ATOM 158 CA GLN A 17 -18.150 -1.676 3.409 1.00 0.55 C ATOM 159 C GLN A 17 -17.311 -1.148 2.231 1.00 0.53 C ATOM 160 O GLN A 17 -16.126 -1.449 2.089 1.00 0.50 O ATOM 161 CB GLN A 17 -18.727 -0.525 4.255 1.00 0.57 C ATOM 162 CG GLN A 17 -17.714 0.517 4.758 1.00 0.56 C ATOM 163 CD GLN A 17 -16.750 0.024 5.846 1.00 0.54 C ATOM 164 OE1 GLN A 17 -16.807 -1.059 6.407 1.00 0.54 O ATOM 165 NE2 GLN A 17 -15.814 0.866 6.202 1.00 0.53 N ATOM 0 H GLN A 17 -16.595 -2.075 4.744 1.00 0.53 H new ATOM 0 HA GLN A 17 -18.990 -2.236 2.999 1.00 0.55 H new ATOM 0 HB2 GLN A 17 -19.484 -0.010 3.663 1.00 0.57 H new ATOM 0 HB3 GLN A 17 -19.235 -0.955 5.118 1.00 0.57 H new ATOM 0 HG2 GLN A 17 -17.128 0.869 3.909 1.00 0.56 H new ATOM 0 HG3 GLN A 17 -18.263 1.376 5.144 1.00 0.56 H new ATOM 0 HE21 GLN A 17 -15.747 1.777 5.747 1.00 0.53 H new ATOM 0 HE22 GLN A 17 -15.151 0.612 6.934 1.00 0.53 H new ATOM 174 N THR A 18 -17.966 -0.315 1.443 1.00 0.56 N ATOM 175 CA THR A 18 -17.357 0.336 0.269 1.00 0.55 C ATOM 176 C THR A 18 -17.584 1.857 0.293 1.00 0.57 C ATOM 177 O THR A 18 -18.148 2.410 1.240 1.00 0.58 O ATOM 178 CB THR A 18 -17.916 -0.345 -0.992 1.00 0.57 C ATOM 179 OG1 THR A 18 -17.225 0.168 -2.127 1.00 0.57 O ATOM 180 CG2 THR A 18 -19.432 -0.178 -1.172 1.00 0.62 C ATOM 0 H THR A 18 -18.943 -0.061 1.590 1.00 0.56 H new ATOM 0 HA THR A 18 -16.274 0.213 0.278 1.00 0.55 H new ATOM 0 HB THR A 18 -17.753 -1.417 -0.881 1.00 0.57 H new ATOM 0 HG1 THR A 18 -17.874 0.463 -2.799 1.00 0.57 H new ATOM 0 HG21 THR A 18 -19.748 -0.686 -2.083 1.00 0.62 H new ATOM 0 HG22 THR A 18 -19.950 -0.611 -0.316 1.00 0.62 H new ATOM 0 HG23 THR A 18 -19.675 0.882 -1.245 1.00 0.62 H new ATOM 188 N THR A 19 -17.223 2.510 -0.806 1.00 0.57 N ATOM 189 CA THR A 19 -17.341 3.962 -1.021 1.00 0.59 C ATOM 190 C THR A 19 -17.358 4.274 -2.529 1.00 0.61 C ATOM 191 O THR A 19 -16.805 3.539 -3.355 1.00 0.60 O ATOM 192 CB THR A 19 -16.174 4.691 -0.320 1.00 0.56 C ATOM 193 OG1 THR A 19 -16.188 4.390 1.080 1.00 0.55 O ATOM 194 CG2 THR A 19 -16.221 6.215 -0.464 1.00 0.58 C ATOM 0 H THR A 19 -16.822 2.028 -1.611 1.00 0.57 H new ATOM 0 HA THR A 19 -18.278 4.316 -0.590 1.00 0.59 H new ATOM 0 HB THR A 19 -15.267 4.335 -0.809 1.00 0.56 H new ATOM 0 HG1 THR A 19 -15.612 3.617 1.254 1.00 0.55 H new ATOM 0 HG21 THR A 19 -15.369 6.656 0.054 1.00 0.58 H new ATOM 0 HG22 THR A 19 -16.181 6.482 -1.520 1.00 0.58 H new ATOM 0 HG23 THR A 19 -17.146 6.593 -0.029 1.00 0.58 H new ATOM 202 N GLN A 20 -18.013 5.385 -2.835 1.00 0.65 N ATOM 203 CA GLN A 20 -18.140 5.954 -4.179 1.00 0.68 C ATOM 204 C GLN A 20 -17.738 7.432 -4.218 1.00 0.68 C ATOM 205 O GLN A 20 -18.546 8.356 -4.301 1.00 0.72 O ATOM 206 CB GLN A 20 -19.547 5.711 -4.759 1.00 0.72 C ATOM 207 CG GLN A 20 -20.730 6.387 -4.057 1.00 0.75 C ATOM 208 CD GLN A 20 -21.003 5.921 -2.625 1.00 0.74 C ATOM 209 OE1 GLN A 20 -20.555 4.911 -2.106 1.00 0.71 O ATOM 210 NE2 GLN A 20 -21.838 6.665 -1.946 1.00 0.76 N ATOM 0 H GLN A 20 -18.492 5.942 -2.127 1.00 0.65 H new ATOM 0 HA GLN A 20 -17.434 5.430 -4.824 1.00 0.68 H new ATOM 0 HB2 GLN A 20 -19.543 6.037 -5.799 1.00 0.72 H new ATOM 0 HB3 GLN A 20 -19.728 4.636 -4.763 1.00 0.72 H new ATOM 0 HG2 GLN A 20 -20.555 7.463 -4.043 1.00 0.75 H new ATOM 0 HG3 GLN A 20 -21.627 6.218 -4.652 1.00 0.75 H new ATOM 0 HE21 GLN A 20 -22.222 7.512 -2.364 1.00 0.76 H new ATOM 0 HE22 GLN A 20 -22.105 6.398 -0.999 1.00 0.76 H new ATOM 219 N GLY A 21 -16.424 7.623 -4.098 1.00 0.65 N ATOM 220 CA GLY A 21 -15.870 8.968 -4.241 1.00 0.65 C ATOM 221 C GLY A 21 -15.642 9.315 -5.727 1.00 0.68 C ATOM 222 O GLY A 21 -15.812 8.444 -6.572 1.00 0.69 O ATOM 0 H GLY A 21 -15.742 6.889 -3.908 1.00 0.65 H new ATOM 0 HA2 GLY A 21 -16.549 9.694 -3.794 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -14.927 9.037 -3.699 1.00 0.65 H new ATOM 226 N VAL A 22 -15.096 10.464 -6.108 1.00 0.69 N ATOM 227 CA VAL A 22 -14.435 11.619 -5.431 1.00 0.68 C ATOM 228 C VAL A 22 -13.216 11.996 -6.302 1.00 0.67 C ATOM 229 O VAL A 22 -13.008 11.421 -7.365 1.00 0.68 O ATOM 230 CB VAL A 22 -14.026 11.411 -3.944 1.00 0.64 C ATOM 231 CG1 VAL A 22 -12.842 10.452 -3.724 1.00 0.60 C ATOM 232 CG2 VAL A 22 -13.876 12.724 -3.166 1.00 0.65 C ATOM 0 H VAL A 22 -15.102 10.659 -7.109 1.00 0.69 H new ATOM 0 HA VAL A 22 -15.171 12.420 -5.357 1.00 0.68 H new ATOM 0 HB VAL A 22 -14.881 10.892 -3.512 1.00 0.64 H new ATOM 0 HG11 VAL A 22 -12.632 10.372 -2.657 1.00 0.60 H new ATOM 0 HG12 VAL A 22 -13.093 9.468 -4.120 1.00 0.60 H new ATOM 0 HG13 VAL A 22 -11.962 10.837 -4.239 1.00 0.60 H new ATOM 0 HG21 VAL A 22 -13.590 12.507 -2.137 1.00 0.65 H new ATOM 0 HG22 VAL A 22 -13.107 13.339 -3.634 1.00 0.65 H new ATOM 0 HG23 VAL A 22 -14.824 13.261 -3.173 1.00 0.65 H new ATOM 242 N HIS A 23 -12.379 12.907 -5.820 1.00 0.66 N ATOM 243 CA HIS A 23 -11.136 13.264 -6.504 1.00 0.66 C ATOM 244 C HIS A 23 -9.922 12.916 -5.614 1.00 0.62 C ATOM 245 O HIS A 23 -9.980 13.130 -4.399 1.00 0.60 O ATOM 246 CB HIS A 23 -11.178 14.753 -6.865 1.00 0.69 C ATOM 247 CG HIS A 23 -10.050 15.137 -7.829 1.00 0.70 C ATOM 248 ND1 HIS A 23 -8.784 15.338 -7.480 1.00 0.68 N ATOM 249 CD2 HIS A 23 -10.151 15.361 -9.135 1.00 0.73 C ATOM 250 CE1 HIS A 23 -8.100 15.705 -8.563 1.00 0.70 C ATOM 251 NE2 HIS A 23 -8.948 15.718 -9.586 1.00 0.73 N ATOM 0 H HIS A 23 -12.538 13.417 -4.951 1.00 0.66 H new ATOM 0 HA HIS A 23 -11.032 12.691 -7.426 1.00 0.66 H new ATOM 0 HB2 HIS A 23 -12.140 14.990 -7.319 1.00 0.69 H new ATOM 0 HB3 HIS A 23 -11.098 15.350 -5.956 1.00 0.69 H new ATOM 0 HD2 HIS A 23 -11.050 15.270 -9.727 1.00 0.73 H new ATOM 0 HE1 HIS A 23 -7.048 15.948 -8.602 1.00 0.70 H new ATOM 0 HE2 HIS A 23 -8.718 15.959 -10.550 1.00 0.73 H new ATOM 259 N PRO A 24 -8.827 12.457 -6.243 1.00 0.61 N ATOM 260 CA PRO A 24 -7.530 12.188 -5.588 1.00 0.58 C ATOM 261 C PRO A 24 -7.031 13.365 -4.755 1.00 0.58 C ATOM 262 O PRO A 24 -6.223 13.166 -3.860 1.00 0.56 O ATOM 263 CB PRO A 24 -6.531 12.030 -6.725 1.00 0.60 C ATOM 264 CG PRO A 24 -7.370 11.477 -7.865 1.00 0.62 C ATOM 265 CD PRO A 24 -8.729 12.136 -7.683 1.00 0.64 C ATOM 0 HA PRO A 24 -7.638 11.324 -4.932 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -6.072 12.982 -6.991 1.00 0.60 H new ATOM 0 HB3 PRO A 24 -5.722 11.350 -6.456 1.00 0.60 H new ATOM 0 HG2 PRO A 24 -6.935 11.722 -8.834 1.00 0.62 H new ATOM 0 HG3 PRO A 24 -7.444 10.391 -7.814 1.00 0.62 H new ATOM 0 HD2 PRO A 24 -8.812 13.036 -8.292 1.00 0.64 H new ATOM 0 HD3 PRO A 24 -9.533 11.467 -7.991 1.00 0.64 H new ATOM 273 N LYS A 25 -7.517 14.569 -5.054 1.00 0.61 N ATOM 274 CA LYS A 25 -7.160 15.812 -4.357 1.00 0.61 C ATOM 275 C LYS A 25 -7.315 15.700 -2.829 1.00 0.59 C ATOM 276 O LYS A 25 -6.568 16.317 -2.081 1.00 0.59 O ATOM 277 CB LYS A 25 -8.047 16.938 -4.880 1.00 0.65 C ATOM 278 CG LYS A 25 -7.243 18.233 -4.988 1.00 0.67 C ATOM 279 CD LYS A 25 -8.070 19.401 -5.532 1.00 0.70 C ATOM 280 CE LYS A 25 -9.119 19.878 -4.528 1.00 0.71 C ATOM 281 NZ LYS A 25 -9.034 21.335 -4.377 1.00 0.74 N ATOM 0 H LYS A 25 -8.189 14.715 -5.808 1.00 0.61 H new ATOM 0 HA LYS A 25 -6.108 16.018 -4.556 1.00 0.61 H new ATOM 0 HB2 LYS A 25 -8.451 16.669 -5.856 1.00 0.65 H new ATOM 0 HB3 LYS A 25 -8.896 17.083 -4.212 1.00 0.65 H new ATOM 0 HG2 LYS A 25 -6.853 18.497 -4.005 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -6.383 18.069 -5.638 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -7.407 20.228 -5.784 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -8.564 19.097 -6.455 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -10.116 19.596 -4.867 1.00 0.71 H new ATOM 0 HE3 LYS A 25 -8.961 19.393 -3.565 1.00 0.71 H new ATOM 0 HZ1 LYS A 25 -9.749 21.655 -3.693 1.00 0.74 H new ATOM 0 HZ2 LYS A 25 -8.087 21.594 -4.034 1.00 0.74 H new ATOM 0 HZ3 LYS A 25 -9.206 21.790 -5.296 1.00 0.74 H new ATOM 295 N MET A 26 -8.246 14.844 -2.408 1.00 0.58 N ATOM 296 CA MET A 26 -8.477 14.536 -0.984 1.00 0.58 C ATOM 297 C MET A 26 -7.604 13.385 -0.453 1.00 0.54 C ATOM 298 O MET A 26 -7.431 13.222 0.757 1.00 0.54 O ATOM 299 CB MET A 26 -9.962 14.243 -0.752 1.00 0.59 C ATOM 300 CG MET A 26 -10.844 15.480 -0.982 1.00 0.67 C ATOM 301 SD MET A 26 -10.658 16.790 0.286 1.00 0.79 S ATOM 302 CE MET A 26 -9.532 17.917 -0.513 1.00 1.08 C ATOM 0 H MET A 26 -8.866 14.340 -3.041 1.00 0.58 H new ATOM 0 HA MET A 26 -8.180 15.419 -0.417 1.00 0.58 H new ATOM 0 HB2 MET A 26 -10.281 13.443 -1.420 1.00 0.59 H new ATOM 0 HB3 MET A 26 -10.104 13.883 0.267 1.00 0.59 H new ATOM 0 HG2 MET A 26 -10.609 15.902 -1.959 1.00 0.67 H new ATOM 0 HG3 MET A 26 -11.887 15.166 -1.012 1.00 0.67 H new ATOM 0 HE1 MET A 26 -8.781 18.250 0.204 1.00 1.08 H new ATOM 0 HE2 MET A 26 -9.041 17.412 -1.345 1.00 1.08 H new ATOM 0 HE3 MET A 26 -10.084 18.779 -0.887 1.00 1.08 H new ATOM 312 N ILE A 27 -7.087 12.571 -1.367 1.00 0.52 N ATOM 313 CA ILE A 27 -6.253 11.423 -1.007 1.00 0.50 C ATOM 314 C ILE A 27 -4.790 11.834 -0.819 1.00 0.51 C ATOM 315 O ILE A 27 -4.279 12.684 -1.549 1.00 0.58 O ATOM 316 CB ILE A 27 -6.337 10.319 -2.090 1.00 0.53 C ATOM 317 CG1 ILE A 27 -7.801 10.004 -2.430 1.00 0.56 C ATOM 318 CG2 ILE A 27 -5.608 9.057 -1.640 1.00 0.54 C ATOM 319 CD1 ILE A 27 -8.610 9.487 -1.258 1.00 0.57 C ATOM 0 H ILE A 27 -7.231 12.684 -2.371 1.00 0.52 H new ATOM 0 HA ILE A 27 -6.634 11.033 -0.063 1.00 0.50 H new ATOM 0 HB ILE A 27 -5.847 10.691 -2.990 1.00 0.53 H new ATOM 0 HG12 ILE A 27 -8.276 10.906 -2.816 1.00 0.56 H new ATOM 0 HG13 ILE A 27 -7.826 9.264 -3.230 1.00 0.56 H new ATOM 0 HG21 ILE A 27 -5.682 8.297 -2.418 1.00 0.54 H new ATOM 0 HG22 ILE A 27 -4.559 9.289 -1.457 1.00 0.54 H new ATOM 0 HG23 ILE A 27 -6.062 8.682 -0.723 1.00 0.54 H new ATOM 0 HD11 ILE A 27 -9.632 9.289 -1.581 1.00 0.57 H new ATOM 0 HD12 ILE A 27 -8.162 8.566 -0.885 1.00 0.57 H new ATOM 0 HD13 ILE A 27 -8.619 10.234 -0.464 1.00 0.57 H new ATOM 331 N SER A 28 -4.122 11.222 0.162 1.00 0.49 N ATOM 332 CA SER A 28 -2.723 11.526 0.445 1.00 0.54 C ATOM 333 C SER A 28 -1.929 10.256 0.766 1.00 0.55 C ATOM 334 O SER A 28 -0.698 10.277 0.793 1.00 0.69 O ATOM 335 CB SER A 28 -2.623 12.513 1.612 1.00 0.61 C ATOM 336 OG SER A 28 -3.258 13.742 1.301 1.00 0.69 O ATOM 0 H SER A 28 -4.530 10.514 0.772 1.00 0.49 H new ATOM 0 HA SER A 28 -2.292 11.978 -0.449 1.00 0.54 H new ATOM 0 HB2 SER A 28 -3.082 12.078 2.500 1.00 0.61 H new ATOM 0 HB3 SER A 28 -1.575 12.693 1.851 1.00 0.61 H new ATOM 0 HG SER A 28 -2.651 14.484 1.505 1.00 0.69 H new ATOM 342 N ASN A 29 -2.639 9.155 1.012 1.00 0.51 N ATOM 343 CA ASN A 29 -2.000 7.879 1.336 1.00 0.51 C ATOM 344 C ASN A 29 -2.817 6.711 0.783 1.00 0.50 C ATOM 345 O ASN A 29 -4.047 6.740 0.805 1.00 0.51 O ATOM 346 CB ASN A 29 -1.850 7.744 2.857 1.00 0.54 C ATOM 347 CG ASN A 29 -1.173 6.449 3.281 1.00 0.57 C ATOM 348 OD1 ASN A 29 -0.260 5.961 2.617 1.00 0.64 O ATOM 349 ND2 ASN A 29 -1.622 5.884 4.398 1.00 0.78 N ATOM 0 H ASN A 29 -3.658 9.121 0.993 1.00 0.51 H new ATOM 0 HA ASN A 29 -1.013 7.856 0.875 1.00 0.51 H new ATOM 0 HB2 ASN A 29 -1.273 8.588 3.235 1.00 0.54 H new ATOM 0 HB3 ASN A 29 -2.836 7.799 3.319 1.00 0.54 H new ATOM 0 HD21 ASN A 29 -1.207 5.014 4.732 1.00 0.78 H new ATOM 0 HD22 ASN A 29 -2.382 6.320 4.921 1.00 0.78 H new ATOM 356 N LEU A 30 -2.123 5.688 0.286 1.00 0.54 N ATOM 357 CA LEU A 30 -2.777 4.508 -0.265 1.00 0.56 C ATOM 358 C LEU A 30 -2.212 3.236 0.360 1.00 0.57 C ATOM 359 O LEU A 30 -1.027 3.165 0.675 1.00 0.74 O ATOM 360 CB LEU A 30 -2.606 4.462 -1.787 1.00 0.60 C ATOM 361 CG LEU A 30 -3.433 3.389 -2.502 1.00 0.67 C ATOM 362 CD1 LEU A 30 -4.902 3.784 -2.548 1.00 0.69 C ATOM 363 CD2 LEU A 30 -2.901 3.149 -3.906 1.00 0.73 C ATOM 0 H LEU A 30 -1.104 5.655 0.255 1.00 0.54 H new ATOM 0 HA LEU A 30 -3.840 4.570 -0.030 1.00 0.56 H new ATOM 0 HB2 LEU A 30 -2.872 5.436 -2.196 1.00 0.60 H new ATOM 0 HB3 LEU A 30 -1.553 4.298 -2.014 1.00 0.60 H new ATOM 0 HG LEU A 30 -3.346 2.460 -1.938 1.00 0.67 H new ATOM 0 HD11 LEU A 30 -5.471 3.008 -3.060 1.00 0.69 H new ATOM 0 HD12 LEU A 30 -5.279 3.900 -1.532 1.00 0.69 H new ATOM 0 HD13 LEU A 30 -5.009 4.727 -3.085 1.00 0.69 H new ATOM 0 HD21 LEU A 30 -3.502 2.384 -4.397 1.00 0.73 H new ATOM 0 HD22 LEU A 30 -2.955 4.075 -4.479 1.00 0.73 H new ATOM 0 HD23 LEU A 30 -1.865 2.816 -3.850 1.00 0.73 H new ATOM 375 N GLN A 31 -3.071 2.241 0.545 1.00 0.50 N ATOM 376 CA GLN A 31 -2.665 0.964 1.126 1.00 0.51 C ATOM 377 C GLN A 31 -3.327 -0.194 0.379 1.00 0.52 C ATOM 378 O GLN A 31 -4.523 -0.443 0.537 1.00 0.61 O ATOM 379 CB GLN A 31 -3.033 0.903 2.610 1.00 0.54 C ATOM 380 CG GLN A 31 -2.185 1.803 3.496 1.00 0.61 C ATOM 381 CD GLN A 31 -2.659 1.820 4.935 1.00 0.84 C ATOM 382 OE1 GLN A 31 -3.497 2.637 5.316 1.00 1.16 O ATOM 383 NE2 GLN A 31 -2.119 0.918 5.748 1.00 1.16 N ATOM 0 H GLN A 31 -4.060 2.293 0.300 1.00 0.50 H new ATOM 0 HA GLN A 31 -1.583 0.876 1.031 1.00 0.51 H new ATOM 0 HB2 GLN A 31 -4.081 1.180 2.725 1.00 0.54 H new ATOM 0 HB3 GLN A 31 -2.935 -0.126 2.956 1.00 0.54 H new ATOM 0 HG2 GLN A 31 -1.149 1.467 3.463 1.00 0.61 H new ATOM 0 HG3 GLN A 31 -2.203 2.818 3.100 1.00 0.61 H new ATOM 0 HE21 GLN A 31 -1.427 0.259 5.391 1.00 1.16 H new ATOM 0 HE22 GLN A 31 -2.396 0.885 6.729 1.00 1.16 H new ATOM 392 N VAL A 32 -2.543 -0.890 -0.440 1.00 0.49 N ATOM 393 CA VAL A 32 -3.043 -2.017 -1.217 1.00 0.51 C ATOM 394 C VAL A 32 -2.765 -3.335 -0.505 1.00 0.50 C ATOM 395 O VAL A 32 -1.613 -3.721 -0.322 1.00 0.61 O ATOM 396 CB VAL A 32 -2.411 -2.057 -2.625 1.00 0.56 C ATOM 397 CG1 VAL A 32 -3.041 -3.153 -3.472 1.00 0.62 C ATOM 398 CG2 VAL A 32 -2.548 -0.708 -3.312 1.00 0.59 C ATOM 0 H VAL A 32 -1.553 -0.690 -0.582 1.00 0.49 H new ATOM 0 HA VAL A 32 -4.120 -1.882 -1.319 1.00 0.51 H new ATOM 0 HB VAL A 32 -1.350 -2.281 -2.513 1.00 0.56 H new ATOM 0 HG11 VAL A 32 -2.579 -3.161 -4.459 1.00 0.62 H new ATOM 0 HG12 VAL A 32 -2.886 -4.119 -2.991 1.00 0.62 H new ATOM 0 HG13 VAL A 32 -4.110 -2.965 -3.573 1.00 0.62 H new ATOM 0 HG21 VAL A 32 -2.096 -0.757 -4.303 1.00 0.59 H new ATOM 0 HG22 VAL A 32 -3.604 -0.453 -3.406 1.00 0.59 H new ATOM 0 HG23 VAL A 32 -2.042 0.055 -2.720 1.00 0.59 H new ATOM 408 N PHE A 33 -3.831 -4.016 -0.105 1.00 0.48 N ATOM 409 CA PHE A 33 -3.714 -5.292 0.591 1.00 0.49 C ATOM 410 C PHE A 33 -4.240 -6.431 -0.276 1.00 0.52 C ATOM 411 O PHE A 33 -5.350 -6.355 -0.806 1.00 0.57 O ATOM 412 CB PHE A 33 -4.485 -5.249 1.913 1.00 0.52 C ATOM 413 CG PHE A 33 -3.732 -4.592 3.036 1.00 0.53 C ATOM 414 CD1 PHE A 33 -2.800 -5.310 3.768 1.00 0.63 C ATOM 415 CD2 PHE A 33 -3.956 -3.264 3.363 1.00 0.60 C ATOM 416 CE1 PHE A 33 -2.105 -4.717 4.805 1.00 0.73 C ATOM 417 CE2 PHE A 33 -3.266 -2.665 4.399 1.00 0.68 C ATOM 418 CZ PHE A 33 -2.337 -3.393 5.121 1.00 0.72 C ATOM 0 H PHE A 33 -4.791 -3.705 -0.251 1.00 0.48 H new ATOM 0 HA PHE A 33 -2.659 -5.470 0.798 1.00 0.49 H new ATOM 0 HB2 PHE A 33 -5.424 -4.717 1.758 1.00 0.52 H new ATOM 0 HB3 PHE A 33 -4.740 -6.267 2.207 1.00 0.52 H new ATOM 0 HD1 PHE A 33 -2.614 -6.346 3.525 1.00 0.63 H new ATOM 0 HD2 PHE A 33 -4.679 -2.691 2.801 1.00 0.60 H new ATOM 0 HE1 PHE A 33 -1.381 -5.288 5.367 1.00 0.73 H new ATOM 0 HE2 PHE A 33 -3.451 -1.630 4.645 1.00 0.68 H new ATOM 0 HZ PHE A 33 -1.794 -2.927 5.930 1.00 0.72 H new ATOM 428 N ALA A 34 -3.441 -7.486 -0.418 1.00 0.53 N ATOM 429 CA ALA A 34 -3.839 -8.640 -1.219 1.00 0.58 C ATOM 430 C ALA A 34 -4.601 -9.668 -0.382 1.00 0.58 C ATOM 431 O ALA A 34 -5.181 -9.337 0.654 1.00 0.62 O ATOM 432 CB ALA A 34 -2.616 -9.275 -1.864 1.00 0.66 C ATOM 0 H ALA A 34 -2.518 -7.565 0.009 1.00 0.53 H new ATOM 0 HA ALA A 34 -4.512 -8.291 -2.002 1.00 0.58 H new ATOM 0 HB1 ALA A 34 -2.924 -10.135 -2.459 1.00 0.66 H new ATOM 0 HB2 ALA A 34 -2.124 -8.546 -2.507 1.00 0.66 H new ATOM 0 HB3 ALA A 34 -1.923 -9.600 -1.088 1.00 0.66 H new ATOM 438 N ILE A 35 -4.605 -10.917 -0.849 1.00 0.63 N ATOM 439 CA ILE A 35 -5.291 -12.003 -0.156 1.00 0.65 C ATOM 440 C ILE A 35 -4.558 -12.381 1.133 1.00 0.62 C ATOM 441 O ILE A 35 -3.357 -12.650 1.119 1.00 0.68 O ATOM 442 CB ILE A 35 -5.412 -13.245 -1.069 1.00 0.77 C ATOM 443 CG1 ILE A 35 -6.150 -12.879 -2.361 1.00 0.91 C ATOM 444 CG2 ILE A 35 -6.124 -14.381 -0.345 1.00 0.80 C ATOM 445 CD1 ILE A 35 -6.166 -13.989 -3.391 1.00 1.14 C ATOM 0 H ILE A 35 -4.137 -11.201 -1.710 1.00 0.63 H new ATOM 0 HA ILE A 35 -6.291 -11.652 0.100 1.00 0.65 H new ATOM 0 HB ILE A 35 -4.409 -13.587 -1.325 1.00 0.77 H new ATOM 0 HG12 ILE A 35 -7.177 -12.607 -2.117 1.00 0.91 H new ATOM 0 HG13 ILE A 35 -5.682 -11.997 -2.798 1.00 0.91 H new ATOM 0 HG21 ILE A 35 -6.198 -15.244 -1.006 1.00 0.80 H new ATOM 0 HG22 ILE A 35 -5.560 -14.654 0.547 1.00 0.80 H new ATOM 0 HG23 ILE A 35 -7.124 -14.058 -0.057 1.00 0.80 H new ATOM 0 HD11 ILE A 35 -6.706 -13.655 -4.277 1.00 1.14 H new ATOM 0 HD12 ILE A 35 -5.143 -14.246 -3.665 1.00 1.14 H new ATOM 0 HD13 ILE A 35 -6.661 -14.866 -2.973 1.00 1.14 H new ATOM 457 N GLY A 36 -5.290 -12.394 2.247 1.00 0.61 N ATOM 458 CA GLY A 36 -4.691 -12.729 3.527 1.00 0.63 C ATOM 459 C GLY A 36 -5.452 -13.816 4.268 1.00 0.65 C ATOM 460 O GLY A 36 -6.283 -14.506 3.679 1.00 0.66 O ATOM 0 H GLY A 36 -6.286 -12.178 2.284 1.00 0.61 H new ATOM 0 HA2 GLY A 36 -3.663 -13.056 3.367 1.00 0.63 H new ATOM 0 HA3 GLY A 36 -4.648 -11.834 4.148 1.00 0.63 H new ATOM 464 N PRO A 37 -5.178 -13.989 5.576 1.00 0.69 N ATOM 465 CA PRO A 37 -5.837 -15.002 6.410 1.00 0.74 C ATOM 466 C PRO A 37 -7.210 -14.559 6.913 1.00 0.72 C ATOM 467 O PRO A 37 -7.935 -15.339 7.533 1.00 0.77 O ATOM 468 CB PRO A 37 -4.870 -15.170 7.597 1.00 0.81 C ATOM 469 CG PRO A 37 -3.716 -14.253 7.341 1.00 0.79 C ATOM 470 CD PRO A 37 -4.193 -13.232 6.351 1.00 0.71 C ATOM 0 HA PRO A 37 -6.024 -15.918 5.850 1.00 0.74 H new ATOM 0 HB2 PRO A 37 -5.363 -14.920 8.537 1.00 0.81 H new ATOM 0 HB3 PRO A 37 -4.533 -16.203 7.679 1.00 0.81 H new ATOM 0 HG2 PRO A 37 -3.389 -13.775 8.264 1.00 0.79 H new ATOM 0 HG3 PRO A 37 -2.862 -14.805 6.948 1.00 0.79 H new ATOM 0 HD2 PRO A 37 -4.639 -12.367 6.841 1.00 0.71 H new ATOM 0 HD3 PRO A 37 -3.381 -12.861 5.726 1.00 0.71 H new ATOM 478 N GLN A 38 -7.563 -13.306 6.642 1.00 0.66 N ATOM 479 CA GLN A 38 -8.855 -12.757 7.081 1.00 0.65 C ATOM 480 C GLN A 38 -9.792 -12.416 5.909 1.00 0.61 C ATOM 481 O GLN A 38 -10.996 -12.259 6.093 1.00 0.62 O ATOM 482 CB GLN A 38 -8.602 -11.523 7.953 1.00 0.65 C ATOM 483 CG GLN A 38 -7.906 -10.371 7.221 1.00 0.60 C ATOM 484 CD GLN A 38 -7.693 -9.191 8.165 1.00 0.63 C ATOM 485 OE1 GLN A 38 -6.997 -9.261 9.162 1.00 0.73 O ATOM 486 NE2 GLN A 38 -8.259 -8.063 7.806 1.00 0.61 N ATOM 0 H GLN A 38 -6.980 -12.649 6.123 1.00 0.66 H new ATOM 0 HA GLN A 38 -9.367 -13.527 7.659 1.00 0.65 H new ATOM 0 HB2 GLN A 38 -9.555 -11.167 8.345 1.00 0.65 H new ATOM 0 HB3 GLN A 38 -7.994 -11.815 8.809 1.00 0.65 H new ATOM 0 HG2 GLN A 38 -6.947 -10.708 6.828 1.00 0.60 H new ATOM 0 HG3 GLN A 38 -8.508 -10.058 6.368 1.00 0.60 H new ATOM 0 HE21 GLN A 38 -8.838 -8.027 6.967 1.00 0.61 H new ATOM 0 HE22 GLN A 38 -8.120 -7.222 8.366 1.00 0.61 H new ATOM 495 N CYS A 39 -9.206 -12.219 4.737 1.00 0.57 N ATOM 496 CA CYS A 39 -9.972 -11.841 3.564 1.00 0.55 C ATOM 497 C CYS A 39 -9.522 -12.614 2.339 1.00 0.61 C ATOM 498 O CYS A 39 -8.403 -13.118 2.286 1.00 0.71 O ATOM 499 CB CYS A 39 -9.808 -10.341 3.311 1.00 0.49 C ATOM 500 SG CYS A 39 -11.162 -9.589 2.357 1.00 0.47 S ATOM 0 H CYS A 39 -8.203 -12.315 4.576 1.00 0.57 H new ATOM 0 HA CYS A 39 -11.020 -12.077 3.749 1.00 0.55 H new ATOM 0 HB2 CYS A 39 -9.728 -9.830 4.270 1.00 0.49 H new ATOM 0 HB3 CYS A 39 -8.870 -10.174 2.781 1.00 0.49 H new ATOM 505 N SER A 40 -10.401 -12.697 1.351 1.00 0.67 N ATOM 506 CA SER A 40 -10.095 -13.400 0.114 1.00 0.78 C ATOM 507 C SER A 40 -10.186 -12.441 -1.074 1.00 0.74 C ATOM 508 O SER A 40 -9.547 -12.649 -2.107 1.00 0.97 O ATOM 509 CB SER A 40 -11.058 -14.579 -0.066 1.00 0.92 C ATOM 510 OG SER A 40 -10.698 -15.375 -1.182 1.00 1.07 O ATOM 0 H SER A 40 -11.334 -12.285 1.382 1.00 0.67 H new ATOM 0 HA SER A 40 -9.077 -13.786 0.164 1.00 0.78 H new ATOM 0 HB2 SER A 40 -11.058 -15.192 0.835 1.00 0.92 H new ATOM 0 HB3 SER A 40 -12.073 -14.205 -0.196 1.00 0.92 H new ATOM 0 HG SER A 40 -11.329 -16.119 -1.270 1.00 1.07 H new ATOM 516 N LYS A 41 -10.974 -11.382 -0.912 1.00 0.72 N ATOM 517 CA LYS A 41 -11.151 -10.386 -1.963 1.00 0.69 C ATOM 518 C LYS A 41 -10.163 -9.234 -1.791 1.00 0.68 C ATOM 519 O LYS A 41 -9.813 -8.868 -0.667 1.00 0.70 O ATOM 520 CB LYS A 41 -12.586 -9.845 -1.942 1.00 0.68 C ATOM 521 CG LYS A 41 -12.897 -8.890 -3.086 1.00 0.77 C ATOM 522 CD LYS A 41 -14.256 -8.231 -2.915 1.00 0.88 C ATOM 523 CE LYS A 41 -14.536 -7.237 -4.033 1.00 1.07 C ATOM 524 NZ LYS A 41 -15.852 -6.564 -3.866 1.00 1.29 N ATOM 0 H LYS A 41 -11.501 -11.192 -0.060 1.00 0.72 H new ATOM 0 HA LYS A 41 -10.961 -10.867 -2.923 1.00 0.69 H new ATOM 0 HB2 LYS A 41 -13.281 -10.683 -1.981 1.00 0.68 H new ATOM 0 HB3 LYS A 41 -12.758 -9.332 -0.996 1.00 0.68 H new ATOM 0 HG2 LYS A 41 -12.125 -8.123 -3.140 1.00 0.77 H new ATOM 0 HG3 LYS A 41 -12.872 -9.433 -4.031 1.00 0.77 H new ATOM 0 HD2 LYS A 41 -15.033 -8.995 -2.902 1.00 0.88 H new ATOM 0 HD3 LYS A 41 -14.296 -7.720 -1.953 1.00 0.88 H new ATOM 0 HE2 LYS A 41 -13.746 -6.487 -4.057 1.00 1.07 H new ATOM 0 HE3 LYS A 41 -14.513 -7.755 -4.992 1.00 1.07 H new ATOM 0 HZ1 LYS A 41 -15.789 -5.587 -4.216 1.00 1.29 H new ATOM 0 HZ2 LYS A 41 -16.576 -7.079 -4.406 1.00 1.29 H new ATOM 0 HZ3 LYS A 41 -16.112 -6.555 -2.859 1.00 1.29 H new ATOM 538 N VAL A 42 -9.711 -8.672 -2.910 1.00 0.67 N ATOM 539 CA VAL A 42 -8.776 -7.552 -2.879 1.00 0.68 C ATOM 540 C VAL A 42 -9.500 -6.257 -2.513 1.00 0.67 C ATOM 541 O VAL A 42 -10.511 -5.903 -3.120 1.00 0.75 O ATOM 542 CB VAL A 42 -8.042 -7.375 -4.229 1.00 0.74 C ATOM 543 CG1 VAL A 42 -6.939 -8.413 -4.371 1.00 0.80 C ATOM 544 CG2 VAL A 42 -9.013 -7.466 -5.399 1.00 0.83 C ATOM 0 H VAL A 42 -9.977 -8.974 -3.847 1.00 0.67 H new ATOM 0 HA VAL A 42 -8.031 -7.778 -2.117 1.00 0.68 H new ATOM 0 HB VAL A 42 -7.593 -6.382 -4.242 1.00 0.74 H new ATOM 0 HG11 VAL A 42 -6.431 -8.276 -5.326 1.00 0.80 H new ATOM 0 HG12 VAL A 42 -6.222 -8.295 -3.559 1.00 0.80 H new ATOM 0 HG13 VAL A 42 -7.372 -9.412 -4.331 1.00 0.80 H new ATOM 0 HG21 VAL A 42 -8.469 -7.338 -6.335 1.00 0.83 H new ATOM 0 HG22 VAL A 42 -9.500 -8.441 -5.393 1.00 0.83 H new ATOM 0 HG23 VAL A 42 -9.767 -6.684 -5.308 1.00 0.83 H new ATOM 554 N GLU A 43 -8.984 -5.570 -1.499 1.00 0.60 N ATOM 555 CA GLU A 43 -9.576 -4.324 -1.023 1.00 0.59 C ATOM 556 C GLU A 43 -8.513 -3.239 -0.897 1.00 0.58 C ATOM 557 O GLU A 43 -7.479 -3.434 -0.255 1.00 0.63 O ATOM 558 CB GLU A 43 -10.273 -4.553 0.322 1.00 0.60 C ATOM 559 CG GLU A 43 -11.249 -5.718 0.300 1.00 0.66 C ATOM 560 CD GLU A 43 -11.629 -6.201 1.679 1.00 0.70 C ATOM 561 OE1 GLU A 43 -10.781 -6.137 2.589 1.00 0.75 O ATOM 562 OE2 GLU A 43 -12.777 -6.656 1.845 1.00 0.79 O ATOM 0 H GLU A 43 -8.150 -5.858 -0.987 1.00 0.60 H new ATOM 0 HA GLU A 43 -10.318 -3.991 -1.749 1.00 0.59 H new ATOM 0 HB2 GLU A 43 -9.519 -4.733 1.088 1.00 0.60 H new ATOM 0 HB3 GLU A 43 -10.806 -3.646 0.607 1.00 0.60 H new ATOM 0 HG2 GLU A 43 -12.151 -5.418 -0.234 1.00 0.66 H new ATOM 0 HG3 GLU A 43 -10.807 -6.543 -0.258 1.00 0.66 H new ATOM 569 N VAL A 44 -8.779 -2.082 -1.497 1.00 0.55 N ATOM 570 CA VAL A 44 -7.841 -0.969 -1.446 1.00 0.56 C ATOM 571 C VAL A 44 -8.296 0.131 -0.491 1.00 0.54 C ATOM 572 O VAL A 44 -9.259 0.851 -0.748 1.00 0.57 O ATOM 573 CB VAL A 44 -7.582 -0.359 -2.842 1.00 0.60 C ATOM 574 CG1 VAL A 44 -6.784 -1.322 -3.705 1.00 0.66 C ATOM 575 CG2 VAL A 44 -8.886 0.010 -3.527 1.00 0.64 C ATOM 0 H VAL A 44 -9.633 -1.893 -2.022 1.00 0.55 H new ATOM 0 HA VAL A 44 -6.909 -1.392 -1.070 1.00 0.56 H new ATOM 0 HB VAL A 44 -7.000 0.553 -2.708 1.00 0.60 H new ATOM 0 HG11 VAL A 44 -6.611 -0.875 -4.684 1.00 0.66 H new ATOM 0 HG12 VAL A 44 -5.827 -1.531 -3.227 1.00 0.66 H new ATOM 0 HG13 VAL A 44 -7.341 -2.252 -3.823 1.00 0.66 H new ATOM 0 HG21 VAL A 44 -8.674 0.437 -4.507 1.00 0.64 H new ATOM 0 HG22 VAL A 44 -9.500 -0.883 -3.645 1.00 0.64 H new ATOM 0 HG23 VAL A 44 -9.421 0.741 -2.921 1.00 0.64 H new ATOM 585 N VAL A 45 -7.592 0.231 0.623 1.00 0.51 N ATOM 586 CA VAL A 45 -7.865 1.259 1.649 1.00 0.50 C ATOM 587 C VAL A 45 -6.982 2.508 1.423 1.00 0.51 C ATOM 588 O VAL A 45 -5.940 2.473 0.767 1.00 0.54 O ATOM 589 CB VAL A 45 -7.761 0.703 3.090 1.00 0.51 C ATOM 590 CG1 VAL A 45 -8.151 -0.757 3.176 1.00 0.69 C ATOM 591 CG2 VAL A 45 -6.367 0.624 3.668 1.00 0.67 C ATOM 0 H VAL A 45 -6.815 -0.388 0.854 1.00 0.51 H new ATOM 0 HA VAL A 45 -8.903 1.571 1.535 1.00 0.50 H new ATOM 0 HB VAL A 45 -8.402 1.409 3.618 1.00 0.51 H new ATOM 0 HG11 VAL A 45 -8.061 -1.098 4.207 1.00 0.69 H new ATOM 0 HG12 VAL A 45 -9.182 -0.879 2.843 1.00 0.69 H new ATOM 0 HG13 VAL A 45 -7.492 -1.348 2.540 1.00 0.69 H new ATOM 0 HG21 VAL A 45 -6.415 0.221 4.680 1.00 0.67 H new ATOM 0 HG22 VAL A 45 -5.752 -0.027 3.047 1.00 0.67 H new ATOM 0 HG23 VAL A 45 -5.927 1.621 3.695 1.00 0.67 H new ATOM 601 N ALA A 46 -7.511 3.648 1.827 1.00 0.52 N ATOM 602 CA ALA A 46 -6.809 4.940 1.690 1.00 0.54 C ATOM 603 C ALA A 46 -7.022 5.819 2.926 1.00 0.55 C ATOM 604 O ALA A 46 -8.010 5.666 3.650 1.00 0.55 O ATOM 605 CB ALA A 46 -7.297 5.667 0.433 1.00 0.58 C ATOM 0 H ALA A 46 -8.432 3.720 2.258 1.00 0.52 H new ATOM 0 HA ALA A 46 -5.741 4.741 1.599 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -6.775 6.619 0.338 1.00 0.58 H new ATOM 0 HB2 ALA A 46 -7.094 5.053 -0.444 1.00 0.58 H new ATOM 0 HB3 ALA A 46 -8.369 5.847 0.510 1.00 0.58 H new ATOM 611 N SER A 47 -6.057 6.696 3.163 1.00 0.57 N ATOM 612 CA SER A 47 -6.120 7.671 4.268 1.00 0.60 C ATOM 613 C SER A 47 -5.965 9.095 3.732 1.00 0.64 C ATOM 614 O SER A 47 -5.069 9.400 2.931 1.00 0.65 O ATOM 615 CB SER A 47 -5.028 7.416 5.304 1.00 0.63 C ATOM 616 OG SER A 47 -5.101 6.065 5.766 1.00 0.62 O ATOM 0 H SER A 47 -5.207 6.760 2.603 1.00 0.57 H new ATOM 0 HA SER A 47 -7.093 7.554 4.745 1.00 0.60 H new ATOM 0 HB2 SER A 47 -4.048 7.607 4.867 1.00 0.63 H new ATOM 0 HB3 SER A 47 -5.143 8.103 6.143 1.00 0.63 H new ATOM 0 HG SER A 47 -4.397 5.908 6.429 1.00 0.62 H new ATOM 622 N LEU A 48 -6.847 9.976 4.191 1.00 0.66 N ATOM 623 CA LEU A 48 -6.836 11.374 3.780 1.00 0.71 C ATOM 624 C LEU A 48 -5.797 12.164 4.574 1.00 0.74 C ATOM 625 O LEU A 48 -5.135 11.623 5.461 1.00 0.74 O ATOM 626 CB LEU A 48 -8.223 12.000 3.979 1.00 0.72 C ATOM 627 CG LEU A 48 -9.269 11.645 2.915 1.00 0.74 C ATOM 628 CD1 LEU A 48 -9.823 10.245 3.137 1.00 0.72 C ATOM 629 CD2 LEU A 48 -10.394 12.670 2.918 1.00 0.79 C ATOM 0 H LEU A 48 -7.586 9.743 4.855 1.00 0.66 H new ATOM 0 HA LEU A 48 -6.574 11.413 2.723 1.00 0.71 H new ATOM 0 HB2 LEU A 48 -8.604 11.694 4.953 1.00 0.72 H new ATOM 0 HB3 LEU A 48 -8.112 13.084 4.006 1.00 0.72 H new ATOM 0 HG LEU A 48 -8.781 11.662 1.940 1.00 0.74 H new ATOM 0 HD11 LEU A 48 -10.562 10.020 2.368 1.00 0.72 H new ATOM 0 HD12 LEU A 48 -9.011 9.520 3.083 1.00 0.72 H new ATOM 0 HD13 LEU A 48 -10.293 10.191 4.119 1.00 0.72 H new ATOM 0 HD21 LEU A 48 -11.129 12.406 2.158 1.00 0.79 H new ATOM 0 HD22 LEU A 48 -10.873 12.682 3.897 1.00 0.79 H new ATOM 0 HD23 LEU A 48 -9.987 13.658 2.701 1.00 0.79 H new ATOM 641 N LYS A 49 -5.660 13.447 4.250 1.00 0.80 N ATOM 642 CA LYS A 49 -4.704 14.315 4.932 1.00 0.86 C ATOM 643 C LYS A 49 -5.222 14.722 6.313 1.00 0.87 C ATOM 644 O LYS A 49 -4.445 15.077 7.201 1.00 0.93 O ATOM 645 CB LYS A 49 -4.423 15.559 4.080 1.00 0.94 C ATOM 646 CG LYS A 49 -3.326 16.457 4.635 1.00 1.01 C ATOM 647 CD LYS A 49 -1.982 15.745 4.680 1.00 1.07 C ATOM 648 CE LYS A 49 -0.902 16.631 5.281 1.00 1.20 C ATOM 649 NZ LYS A 49 -1.226 17.033 6.679 1.00 1.23 N ATOM 0 H LYS A 49 -6.200 13.909 3.518 1.00 0.80 H new ATOM 0 HA LYS A 49 -3.775 13.761 5.070 1.00 0.86 H new ATOM 0 HB2 LYS A 49 -4.145 15.243 3.075 1.00 0.94 H new ATOM 0 HB3 LYS A 49 -5.341 16.139 3.989 1.00 0.94 H new ATOM 0 HG2 LYS A 49 -3.243 17.352 4.019 1.00 1.01 H new ATOM 0 HG3 LYS A 49 -3.598 16.785 5.638 1.00 1.01 H new ATOM 0 HD2 LYS A 49 -2.073 14.831 5.267 1.00 1.07 H new ATOM 0 HD3 LYS A 49 -1.692 15.449 3.672 1.00 1.07 H new ATOM 0 HE2 LYS A 49 0.051 16.102 5.267 1.00 1.20 H new ATOM 0 HE3 LYS A 49 -0.780 17.523 4.666 1.00 1.20 H new ATOM 0 HZ1 LYS A 49 -0.373 17.413 7.137 1.00 1.23 H new ATOM 0 HZ2 LYS A 49 -1.967 17.763 6.668 1.00 1.23 H new ATOM 0 HZ3 LYS A 49 -1.564 16.204 7.209 1.00 1.23 H new ATOM 663 N ASN A 50 -6.541 14.657 6.488 1.00 0.84 N ATOM 664 CA ASN A 50 -7.171 15.017 7.757 1.00 0.88 C ATOM 665 C ASN A 50 -7.039 13.890 8.782 1.00 0.84 C ATOM 666 O ASN A 50 -7.227 14.106 9.979 1.00 1.01 O ATOM 667 CB ASN A 50 -8.650 15.346 7.539 1.00 0.90 C ATOM 668 CG ASN A 50 -8.855 16.523 6.605 1.00 0.98 C ATOM 669 OD1 ASN A 50 -8.032 17.435 6.543 1.00 1.05 O ATOM 670 ND2 ASN A 50 -9.961 16.507 5.870 1.00 1.01 N ATOM 0 H ASN A 50 -7.195 14.358 5.765 1.00 0.84 H new ATOM 0 HA ASN A 50 -6.657 15.896 8.146 1.00 0.88 H new ATOM 0 HB2 ASN A 50 -9.157 14.471 7.131 1.00 0.90 H new ATOM 0 HB3 ASN A 50 -9.115 15.565 8.500 1.00 0.90 H new ATOM 0 HD21 ASN A 50 -10.154 17.271 5.223 1.00 1.01 H new ATOM 0 HD22 ASN A 50 -10.617 15.730 5.953 1.00 1.01 H new ATOM 677 N GLY A 51 -6.715 12.691 8.304 1.00 0.70 N ATOM 678 CA GLY A 51 -6.566 11.553 9.191 1.00 0.69 C ATOM 679 C GLY A 51 -7.748 10.605 9.123 1.00 0.64 C ATOM 680 O GLY A 51 -8.032 9.887 10.082 1.00 0.69 O ATOM 0 H GLY A 51 -6.553 12.489 7.317 1.00 0.70 H new ATOM 0 HA2 GLY A 51 -5.655 11.012 8.933 1.00 0.69 H new ATOM 0 HA3 GLY A 51 -6.447 11.908 10.215 1.00 0.69 H new ATOM 684 N LYS A 52 -8.442 10.611 7.989 1.00 0.60 N ATOM 685 CA LYS A 52 -9.599 9.744 7.792 1.00 0.57 C ATOM 686 C LYS A 52 -9.226 8.545 6.929 1.00 0.53 C ATOM 687 O LYS A 52 -8.306 8.620 6.123 1.00 0.62 O ATOM 688 CB LYS A 52 -10.740 10.523 7.135 1.00 0.62 C ATOM 689 CG LYS A 52 -11.277 11.659 7.993 1.00 0.70 C ATOM 690 CD LYS A 52 -12.391 12.419 7.287 1.00 0.86 C ATOM 691 CE LYS A 52 -13.642 11.566 7.127 1.00 0.96 C ATOM 692 NZ LYS A 52 -14.732 12.305 6.434 1.00 1.19 N ATOM 0 H LYS A 52 -8.223 11.208 7.191 1.00 0.60 H new ATOM 0 HA LYS A 52 -9.930 9.386 8.767 1.00 0.57 H new ATOM 0 HB2 LYS A 52 -10.391 10.930 6.186 1.00 0.62 H new ATOM 0 HB3 LYS A 52 -11.554 9.835 6.907 1.00 0.62 H new ATOM 0 HG2 LYS A 52 -11.650 11.258 8.935 1.00 0.70 H new ATOM 0 HG3 LYS A 52 -10.466 12.345 8.237 1.00 0.70 H new ATOM 0 HD2 LYS A 52 -12.634 13.318 7.854 1.00 0.86 H new ATOM 0 HD3 LYS A 52 -12.045 12.744 6.306 1.00 0.86 H new ATOM 0 HE2 LYS A 52 -13.398 10.666 6.563 1.00 0.96 H new ATOM 0 HE3 LYS A 52 -13.989 11.243 8.108 1.00 0.96 H new ATOM 0 HZ1 LYS A 52 -15.566 11.690 6.345 1.00 1.19 H new ATOM 0 HZ2 LYS A 52 -14.983 13.151 6.985 1.00 1.19 H new ATOM 0 HZ3 LYS A 52 -14.410 12.591 5.487 1.00 1.19 H new ATOM 706 N GLU A 53 -9.942 7.440 7.101 1.00 0.52 N ATOM 707 CA GLU A 53 -9.671 6.221 6.321 1.00 0.49 C ATOM 708 C GLU A 53 -10.990 5.612 5.830 1.00 0.49 C ATOM 709 O GLU A 53 -11.950 5.458 6.590 1.00 0.51 O ATOM 710 CB GLU A 53 -8.892 5.217 7.180 1.00 0.49 C ATOM 711 CG GLU A 53 -9.723 4.705 8.366 1.00 0.63 C ATOM 712 CD GLU A 53 -8.915 3.891 9.361 1.00 0.63 C ATOM 713 OE1 GLU A 53 -7.962 4.480 9.916 1.00 0.64 O ATOM 714 OE2 GLU A 53 -9.321 2.734 9.597 1.00 0.69 O ATOM 0 H GLU A 53 -10.710 7.355 7.766 1.00 0.52 H new ATOM 0 HA GLU A 53 -9.065 6.474 5.451 1.00 0.49 H new ATOM 0 HB2 GLU A 53 -8.585 4.373 6.562 1.00 0.49 H new ATOM 0 HB3 GLU A 53 -7.982 5.688 7.552 1.00 0.49 H new ATOM 0 HG2 GLU A 53 -10.170 5.555 8.881 1.00 0.63 H new ATOM 0 HG3 GLU A 53 -10.543 4.094 7.989 1.00 0.63 H new ATOM 721 N ILE A 54 -11.023 5.338 4.547 1.00 0.47 N ATOM 722 CA ILE A 54 -12.206 4.708 3.926 1.00 0.47 C ATOM 723 C ILE A 54 -11.778 3.468 3.130 1.00 0.45 C ATOM 724 O ILE A 54 -10.586 3.170 2.994 1.00 0.43 O ATOM 725 CB ILE A 54 -12.987 5.730 3.077 1.00 0.49 C ATOM 726 CG1 ILE A 54 -12.131 6.249 1.906 1.00 0.48 C ATOM 727 CG2 ILE A 54 -13.549 6.853 3.969 1.00 0.53 C ATOM 728 CD1 ILE A 54 -12.882 7.133 0.906 1.00 0.51 C ATOM 0 H ILE A 54 -10.258 5.533 3.901 1.00 0.47 H new ATOM 0 HA ILE A 54 -12.892 4.371 4.703 1.00 0.47 H new ATOM 0 HB ILE A 54 -13.845 5.235 2.622 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -11.291 6.814 2.310 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -11.713 5.395 1.373 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -14.098 7.566 3.354 1.00 0.53 H new ATOM 0 HG22 ILE A 54 -14.220 6.425 4.714 1.00 0.53 H new ATOM 0 HG23 ILE A 54 -12.728 7.364 4.472 1.00 0.53 H new ATOM 0 HD11 ILE A 54 -12.200 7.451 0.118 1.00 0.51 H new ATOM 0 HD12 ILE A 54 -13.705 6.568 0.468 1.00 0.51 H new ATOM 0 HD13 ILE A 54 -13.276 8.010 1.420 1.00 0.51 H new ATOM 740 N CYS A 55 -12.773 2.826 2.539 1.00 0.46 N ATOM 741 CA CYS A 55 -12.560 1.647 1.688 1.00 0.44 C ATOM 742 C CYS A 55 -13.241 1.868 0.346 1.00 0.46 C ATOM 743 O CYS A 55 -14.389 2.295 0.264 1.00 0.49 O ATOM 744 CB CYS A 55 -13.162 0.413 2.343 1.00 0.45 C ATOM 745 SG CYS A 55 -12.276 -0.127 3.849 1.00 0.43 S ATOM 0 H CYS A 55 -13.751 3.100 2.630 1.00 0.46 H new ATOM 0 HA CYS A 55 -11.489 1.499 1.550 1.00 0.44 H new ATOM 0 HB2 CYS A 55 -14.202 0.619 2.598 1.00 0.45 H new ATOM 0 HB3 CYS A 55 -13.166 -0.404 1.622 1.00 0.45 H new ATOM 750 N LEU A 56 -12.531 1.471 -0.686 1.00 0.46 N ATOM 751 CA LEU A 56 -13.016 1.632 -2.054 1.00 0.49 C ATOM 752 C LEU A 56 -13.259 0.244 -2.655 1.00 0.50 C ATOM 753 O LEU A 56 -12.607 -0.739 -2.286 1.00 0.48 O ATOM 754 CB LEU A 56 -11.920 2.449 -2.753 1.00 0.49 C ATOM 755 CG LEU A 56 -11.597 3.843 -2.195 1.00 0.48 C ATOM 756 CD1 LEU A 56 -10.653 4.555 -3.163 1.00 0.49 C ATOM 757 CD2 LEU A 56 -12.847 4.694 -1.958 1.00 0.51 C ATOM 0 H LEU A 56 -11.613 1.033 -0.612 1.00 0.46 H new ATOM 0 HA LEU A 56 -13.969 2.152 -2.150 1.00 0.49 H new ATOM 0 HB2 LEU A 56 -11.002 1.861 -2.736 1.00 0.49 H new ATOM 0 HB3 LEU A 56 -12.205 2.565 -3.799 1.00 0.49 H new ATOM 0 HG LEU A 56 -11.124 3.711 -1.222 1.00 0.48 H new ATOM 0 HD11 LEU A 56 -10.416 5.547 -2.777 1.00 0.49 H new ATOM 0 HD12 LEU A 56 -9.735 3.977 -3.267 1.00 0.49 H new ATOM 0 HD13 LEU A 56 -11.134 4.650 -4.137 1.00 0.49 H new ATOM 0 HD21 LEU A 56 -12.555 5.667 -1.564 1.00 0.51 H new ATOM 0 HD22 LEU A 56 -13.379 4.829 -2.900 1.00 0.51 H new ATOM 0 HD23 LEU A 56 -13.498 4.193 -1.242 1.00 0.51 H new ATOM 769 N ASP A 57 -14.166 0.159 -3.615 1.00 0.53 N ATOM 770 CA ASP A 57 -14.429 -1.110 -4.280 1.00 0.54 C ATOM 771 C ASP A 57 -13.613 -1.203 -5.573 1.00 0.57 C ATOM 772 O ASP A 57 -13.924 -0.520 -6.551 1.00 0.62 O ATOM 773 CB ASP A 57 -15.920 -1.261 -4.591 1.00 0.59 C ATOM 774 CG ASP A 57 -16.412 -2.678 -4.372 1.00 0.60 C ATOM 775 OD1 ASP A 57 -15.748 -3.620 -4.856 1.00 0.62 O ATOM 776 OD2 ASP A 57 -17.460 -2.848 -3.715 1.00 0.67 O ATOM 0 H ASP A 57 -14.727 0.942 -3.949 1.00 0.53 H new ATOM 0 HA ASP A 57 -14.133 -1.917 -3.610 1.00 0.54 H new ATOM 0 HB2 ASP A 57 -16.491 -0.579 -3.961 1.00 0.59 H new ATOM 0 HB3 ASP A 57 -16.105 -0.970 -5.625 1.00 0.59 H new ATOM 781 N PRO A 58 -12.551 -2.049 -5.596 1.00 0.58 N ATOM 782 CA PRO A 58 -11.685 -2.227 -6.782 1.00 0.64 C ATOM 783 C PRO A 58 -12.468 -2.753 -7.978 1.00 0.73 C ATOM 784 O PRO A 58 -12.012 -2.693 -9.121 1.00 0.86 O ATOM 785 CB PRO A 58 -10.645 -3.257 -6.329 1.00 0.68 C ATOM 786 CG PRO A 58 -10.708 -3.268 -4.843 1.00 0.63 C ATOM 787 CD PRO A 58 -12.118 -2.902 -4.475 1.00 0.59 C ATOM 0 HA PRO A 58 -11.244 -1.286 -7.110 1.00 0.64 H new ATOM 0 HB2 PRO A 58 -10.867 -4.243 -6.737 1.00 0.68 H new ATOM 0 HB3 PRO A 58 -9.648 -2.985 -6.676 1.00 0.68 H new ATOM 0 HG2 PRO A 58 -10.447 -4.251 -4.451 1.00 0.63 H new ATOM 0 HG3 PRO A 58 -9.999 -2.557 -4.419 1.00 0.63 H new ATOM 0 HD2 PRO A 58 -12.749 -3.785 -4.374 1.00 0.59 H new ATOM 0 HD3 PRO A 58 -12.160 -2.370 -3.525 1.00 0.59 H new ATOM 795 N GLU A 59 -13.648 -3.275 -7.680 1.00 0.69 N ATOM 796 CA GLU A 59 -14.575 -3.809 -8.689 1.00 0.81 C ATOM 797 C GLU A 59 -15.105 -2.738 -9.668 1.00 0.87 C ATOM 798 O GLU A 59 -15.657 -3.064 -10.719 1.00 0.96 O ATOM 799 CB GLU A 59 -15.733 -4.502 -7.961 1.00 0.84 C ATOM 800 CG GLU A 59 -16.295 -5.661 -8.784 1.00 1.11 C ATOM 801 CD GLU A 59 -17.329 -6.478 -8.017 1.00 1.18 C ATOM 802 OE1 GLU A 59 -16.875 -7.344 -7.243 1.00 1.29 O ATOM 803 OE2 GLU A 59 -18.535 -6.212 -8.217 1.00 1.35 O ATOM 0 H GLU A 59 -14.000 -3.344 -6.725 1.00 0.69 H new ATOM 0 HA GLU A 59 -14.026 -4.519 -9.308 1.00 0.81 H new ATOM 0 HB2 GLU A 59 -15.388 -4.873 -6.996 1.00 0.84 H new ATOM 0 HB3 GLU A 59 -16.524 -3.779 -7.761 1.00 0.84 H new ATOM 0 HG2 GLU A 59 -16.750 -5.269 -9.694 1.00 1.11 H new ATOM 0 HG3 GLU A 59 -15.478 -6.313 -9.092 1.00 1.11 H new ATOM 810 N ALA A 60 -14.959 -1.470 -9.308 1.00 0.84 N ATOM 811 CA ALA A 60 -15.439 -0.365 -10.140 1.00 0.92 C ATOM 812 C ALA A 60 -14.277 0.262 -10.937 1.00 0.95 C ATOM 813 O ALA A 60 -13.239 0.597 -10.359 1.00 0.92 O ATOM 814 CB ALA A 60 -16.115 0.652 -9.226 1.00 0.91 C ATOM 0 H ALA A 60 -14.510 -1.176 -8.441 1.00 0.84 H new ATOM 0 HA ALA A 60 -16.159 -0.725 -10.875 1.00 0.92 H new ATOM 0 HB1 ALA A 60 -16.483 1.488 -9.821 1.00 0.91 H new ATOM 0 HB2 ALA A 60 -16.950 0.179 -8.710 1.00 0.91 H new ATOM 0 HB3 ALA A 60 -15.396 1.017 -8.493 1.00 0.91 H new ATOM 820 N PRO A 61 -14.501 0.523 -12.232 1.00 1.04 N ATOM 821 CA PRO A 61 -13.485 1.097 -13.138 1.00 1.08 C ATOM 822 C PRO A 61 -13.075 2.528 -12.762 1.00 1.06 C ATOM 823 O PRO A 61 -11.887 2.813 -12.634 1.00 1.05 O ATOM 824 CB PRO A 61 -14.125 1.036 -14.525 1.00 1.20 C ATOM 825 CG PRO A 61 -15.622 1.151 -14.233 1.00 1.24 C ATOM 826 CD PRO A 61 -15.786 0.351 -12.943 1.00 1.13 C ATOM 0 HA PRO A 61 -12.552 0.537 -13.083 1.00 1.08 H new ATOM 0 HB2 PRO A 61 -13.777 1.848 -15.164 1.00 1.20 H new ATOM 0 HB3 PRO A 61 -13.886 0.104 -15.037 1.00 1.20 H new ATOM 0 HG2 PRO A 61 -15.929 2.189 -14.105 1.00 1.24 H new ATOM 0 HG3 PRO A 61 -16.223 0.738 -15.043 1.00 1.24 H new ATOM 0 HD2 PRO A 61 -16.621 0.723 -12.349 1.00 1.13 H new ATOM 0 HD3 PRO A 61 -15.986 -0.700 -13.151 1.00 1.13 H new ATOM 834 N PHE A 62 -14.063 3.351 -12.395 1.00 1.08 N ATOM 835 CA PHE A 62 -13.823 4.737 -11.943 1.00 1.08 C ATOM 836 C PHE A 62 -12.946 4.784 -10.688 1.00 0.97 C ATOM 837 O PHE A 62 -12.185 5.722 -10.475 1.00 0.97 O ATOM 838 CB PHE A 62 -15.141 5.474 -11.673 1.00 1.15 C ATOM 839 CG PHE A 62 -15.951 4.868 -10.527 1.00 1.13 C ATOM 840 CD1 PHE A 62 -15.731 5.289 -9.222 1.00 1.08 C ATOM 841 CD2 PHE A 62 -16.926 3.918 -10.802 1.00 1.18 C ATOM 842 CE1 PHE A 62 -16.489 4.762 -8.188 1.00 1.10 C ATOM 843 CE2 PHE A 62 -17.694 3.405 -9.769 1.00 1.19 C ATOM 844 CZ PHE A 62 -17.471 3.818 -8.464 1.00 1.15 C ATOM 0 H PHE A 62 -15.047 3.083 -12.401 1.00 1.08 H new ATOM 0 HA PHE A 62 -13.295 5.239 -12.754 1.00 1.08 H new ATOM 0 HB2 PHE A 62 -14.925 6.517 -11.443 1.00 1.15 H new ATOM 0 HB3 PHE A 62 -15.746 5.466 -12.580 1.00 1.15 H new ATOM 0 HD1 PHE A 62 -14.970 6.026 -9.013 1.00 1.08 H new ATOM 0 HD2 PHE A 62 -17.085 3.581 -11.816 1.00 1.18 H new ATOM 0 HE1 PHE A 62 -16.317 5.084 -7.171 1.00 1.10 H new ATOM 0 HE2 PHE A 62 -18.468 2.682 -9.981 1.00 1.19 H new ATOM 0 HZ PHE A 62 -18.062 3.405 -7.660 1.00 1.15 H new ATOM 854 N LEU A 63 -12.989 3.708 -9.918 1.00 0.89 N ATOM 855 CA LEU A 63 -12.193 3.605 -8.710 1.00 0.79 C ATOM 856 C LEU A 63 -10.728 3.307 -9.043 1.00 0.80 C ATOM 857 O LEU A 63 -9.828 3.618 -8.264 1.00 0.80 O ATOM 858 CB LEU A 63 -12.764 2.518 -7.817 1.00 0.72 C ATOM 859 CG LEU A 63 -12.463 2.695 -6.343 1.00 0.64 C ATOM 860 CD1 LEU A 63 -13.762 2.722 -5.554 1.00 0.60 C ATOM 861 CD2 LEU A 63 -11.534 1.587 -5.862 1.00 0.63 C ATOM 0 H LEU A 63 -13.570 2.892 -10.111 1.00 0.89 H new ATOM 0 HA LEU A 63 -12.229 4.559 -8.185 1.00 0.79 H new ATOM 0 HB2 LEU A 63 -13.845 2.484 -7.953 1.00 0.72 H new ATOM 0 HB3 LEU A 63 -12.371 1.555 -8.142 1.00 0.72 H new ATOM 0 HG LEU A 63 -11.953 3.645 -6.184 1.00 0.64 H new ATOM 0 HD11 LEU A 63 -13.541 2.849 -4.494 1.00 0.60 H new ATOM 0 HD12 LEU A 63 -14.380 3.551 -5.898 1.00 0.60 H new ATOM 0 HD13 LEU A 63 -14.298 1.784 -5.703 1.00 0.60 H new ATOM 0 HD21 LEU A 63 -11.324 1.723 -4.801 1.00 0.63 H new ATOM 0 HD22 LEU A 63 -12.012 0.619 -6.016 1.00 0.63 H new ATOM 0 HD23 LEU A 63 -10.601 1.625 -6.424 1.00 0.63 H new ATOM 873 N LYS A 64 -10.503 2.702 -10.210 1.00 0.85 N ATOM 874 CA LYS A 64 -9.155 2.370 -10.670 1.00 0.90 C ATOM 875 C LYS A 64 -8.476 3.616 -11.254 1.00 0.94 C ATOM 876 O LYS A 64 -7.263 3.646 -11.469 1.00 0.99 O ATOM 877 CB LYS A 64 -9.225 1.251 -11.717 1.00 1.00 C ATOM 878 CG LYS A 64 -7.874 0.654 -12.088 1.00 1.10 C ATOM 879 CD LYS A 64 -8.005 -0.408 -13.172 1.00 1.26 C ATOM 880 CE LYS A 64 -8.429 0.194 -14.504 1.00 1.46 C ATOM 881 NZ LYS A 64 -8.515 -0.835 -15.578 1.00 1.71 N ATOM 0 H LYS A 64 -11.243 2.431 -10.857 1.00 0.85 H new ATOM 0 HA LYS A 64 -8.562 2.020 -9.825 1.00 0.90 H new ATOM 0 HB2 LYS A 64 -9.869 0.456 -11.340 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -9.696 1.642 -12.619 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -7.209 1.446 -12.433 1.00 1.10 H new ATOM 0 HG3 LYS A 64 -7.415 0.215 -11.202 1.00 1.10 H new ATOM 0 HD2 LYS A 64 -7.052 -0.924 -13.293 1.00 1.26 H new ATOM 0 HD3 LYS A 64 -8.735 -1.156 -12.862 1.00 1.26 H new ATOM 0 HE2 LYS A 64 -9.397 0.681 -14.390 1.00 1.46 H new ATOM 0 HE3 LYS A 64 -7.717 0.965 -14.797 1.00 1.46 H new ATOM 0 HZ1 LYS A 64 -8.807 -0.384 -16.468 1.00 1.71 H new ATOM 0 HZ2 LYS A 64 -7.585 -1.283 -15.705 1.00 1.71 H new ATOM 0 HZ3 LYS A 64 -9.214 -1.558 -15.311 1.00 1.71 H new ATOM 895 N LYS A 65 -9.284 4.640 -11.504 1.00 0.94 N ATOM 896 CA LYS A 65 -8.808 5.926 -12.044 1.00 0.99 C ATOM 897 C LYS A 65 -8.117 6.800 -10.992 1.00 0.96 C ATOM 898 O LYS A 65 -6.927 7.087 -11.109 1.00 1.01 O ATOM 899 CB LYS A 65 -9.982 6.691 -12.640 1.00 1.02 C ATOM 900 CG LYS A 65 -10.571 5.961 -13.848 1.00 1.09 C ATOM 901 CD LYS A 65 -11.671 6.796 -14.508 1.00 1.15 C ATOM 902 CE LYS A 65 -11.140 8.099 -15.122 1.00 1.21 C ATOM 903 NZ LYS A 65 -10.178 7.839 -16.202 1.00 1.29 N ATOM 0 H LYS A 65 -10.290 4.611 -11.341 1.00 0.94 H new ATOM 0 HA LYS A 65 -8.066 5.695 -12.808 1.00 0.99 H new ATOM 0 HB2 LYS A 65 -10.754 6.824 -11.882 1.00 1.02 H new ATOM 0 HB3 LYS A 65 -9.655 7.687 -12.939 1.00 1.02 H new ATOM 0 HG2 LYS A 65 -9.783 5.753 -14.572 1.00 1.09 H new ATOM 0 HG3 LYS A 65 -10.978 5.000 -13.534 1.00 1.09 H new ATOM 0 HD2 LYS A 65 -12.154 6.204 -15.285 1.00 1.15 H new ATOM 0 HD3 LYS A 65 -12.435 7.033 -13.767 1.00 1.15 H new ATOM 0 HE2 LYS A 65 -11.973 8.684 -15.510 1.00 1.21 H new ATOM 0 HE3 LYS A 65 -10.663 8.699 -14.347 1.00 1.21 H new ATOM 0 HZ1 LYS A 65 -9.970 8.726 -16.703 1.00 1.29 H new ATOM 0 HZ2 LYS A 65 -9.299 7.455 -15.799 1.00 1.29 H new ATOM 0 HZ3 LYS A 65 -10.582 7.151 -16.869 1.00 1.29 H new ATOM 917 N VAL A 66 -8.843 7.087 -9.911 1.00 0.90 N ATOM 918 CA VAL A 66 -8.329 7.910 -8.813 1.00 0.88 C ATOM 919 C VAL A 66 -7.056 7.322 -8.176 1.00 0.88 C ATOM 920 O VAL A 66 -6.236 8.065 -7.635 1.00 0.91 O ATOM 921 CB VAL A 66 -9.406 8.119 -7.720 1.00 0.85 C ATOM 922 CG1 VAL A 66 -10.631 8.810 -8.300 1.00 0.87 C ATOM 923 CG2 VAL A 66 -9.802 6.798 -7.073 1.00 0.85 C ATOM 0 H VAL A 66 -9.798 6.758 -9.771 1.00 0.90 H new ATOM 0 HA VAL A 66 -8.068 8.872 -9.253 1.00 0.88 H new ATOM 0 HB VAL A 66 -8.975 8.757 -6.949 1.00 0.85 H new ATOM 0 HG11 VAL A 66 -11.376 8.948 -7.516 1.00 0.87 H new ATOM 0 HG12 VAL A 66 -10.344 9.781 -8.703 1.00 0.87 H new ATOM 0 HG13 VAL A 66 -11.052 8.197 -9.097 1.00 0.87 H new ATOM 0 HG21 VAL A 66 -10.559 6.979 -6.310 1.00 0.85 H new ATOM 0 HG22 VAL A 66 -10.205 6.127 -7.832 1.00 0.85 H new ATOM 0 HG23 VAL A 66 -8.926 6.341 -6.613 1.00 0.85 H new ATOM 933 N ILE A 67 -6.887 5.995 -8.249 1.00 0.88 N ATOM 934 CA ILE A 67 -5.701 5.341 -7.679 1.00 0.91 C ATOM 935 C ILE A 67 -4.531 5.369 -8.661 1.00 0.98 C ATOM 936 O ILE A 67 -3.386 5.101 -8.295 1.00 1.05 O ATOM 937 CB ILE A 67 -5.978 3.878 -7.270 1.00 0.92 C ATOM 938 CG1 ILE A 67 -6.281 3.015 -8.501 1.00 0.93 C ATOM 939 CG2 ILE A 67 -7.127 3.814 -6.274 1.00 0.89 C ATOM 940 CD1 ILE A 67 -6.318 1.530 -8.209 1.00 1.00 C ATOM 0 H ILE A 67 -7.549 5.358 -8.692 1.00 0.88 H new ATOM 0 HA ILE A 67 -5.443 5.907 -6.784 1.00 0.91 H new ATOM 0 HB ILE A 67 -5.083 3.481 -6.792 1.00 0.92 H new ATOM 0 HG12 ILE A 67 -7.241 3.318 -8.919 1.00 0.93 H new ATOM 0 HG13 ILE A 67 -5.526 3.208 -9.264 1.00 0.93 H new ATOM 0 HG21 ILE A 67 -7.310 2.776 -5.996 1.00 0.89 H new ATOM 0 HG22 ILE A 67 -6.870 4.388 -5.384 1.00 0.89 H new ATOM 0 HG23 ILE A 67 -8.026 4.232 -6.728 1.00 0.89 H new ATOM 0 HD11 ILE A 67 -6.538 0.984 -9.127 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -5.351 1.211 -7.820 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -7.092 1.324 -7.470 1.00 1.00 H new ATOM 952 N GLN A 68 -4.836 5.686 -9.914 1.00 0.99 N ATOM 953 CA GLN A 68 -3.829 5.770 -10.963 1.00 1.08 C ATOM 954 C GLN A 68 -3.339 7.212 -11.109 1.00 1.06 C ATOM 955 O GLN A 68 -2.252 7.463 -11.633 1.00 1.09 O ATOM 956 CB GLN A 68 -4.414 5.264 -12.285 1.00 1.16 C ATOM 957 CG GLN A 68 -3.424 5.262 -13.437 1.00 1.27 C ATOM 958 CD GLN A 68 -4.079 4.929 -14.763 1.00 1.37 C ATOM 959 OE1 GLN A 68 -5.259 5.206 -14.976 1.00 1.41 O ATOM 960 NE2 GLN A 68 -3.313 4.340 -15.670 1.00 1.52 N ATOM 0 H GLN A 68 -5.784 5.891 -10.230 1.00 0.99 H new ATOM 0 HA GLN A 68 -2.978 5.144 -10.694 1.00 1.08 H new ATOM 0 HB2 GLN A 68 -4.790 4.251 -12.140 1.00 1.16 H new ATOM 0 HB3 GLN A 68 -5.268 5.885 -12.554 1.00 1.16 H new ATOM 0 HG2 GLN A 68 -2.949 6.241 -13.505 1.00 1.27 H new ATOM 0 HG3 GLN A 68 -2.635 4.538 -13.233 1.00 1.27 H new ATOM 0 HE21 GLN A 68 -2.339 4.127 -15.454 1.00 1.52 H new ATOM 0 HE22 GLN A 68 -3.697 4.100 -16.584 1.00 1.52 H new ATOM 969 N LYS A 69 -4.145 8.155 -10.621 1.00 1.05 N ATOM 970 CA LYS A 69 -3.807 9.575 -10.684 1.00 1.06 C ATOM 971 C LYS A 69 -2.827 9.962 -9.578 1.00 1.08 C ATOM 972 O LYS A 69 -2.057 10.912 -9.728 1.00 1.15 O ATOM 973 CB LYS A 69 -5.071 10.428 -10.574 1.00 1.03 C ATOM 974 CG LYS A 69 -5.940 10.397 -11.819 1.00 1.10 C ATOM 975 CD LYS A 69 -7.183 11.254 -11.649 1.00 1.19 C ATOM 976 CE LYS A 69 -7.926 11.434 -12.963 1.00 1.38 C ATOM 977 NZ LYS A 69 -9.093 12.347 -12.823 1.00 1.58 N ATOM 0 H LYS A 69 -5.041 7.958 -10.176 1.00 1.05 H new ATOM 0 HA LYS A 69 -3.329 9.759 -11.646 1.00 1.06 H new ATOM 0 HB2 LYS A 69 -5.658 10.083 -9.723 1.00 1.03 H new ATOM 0 HB3 LYS A 69 -4.786 11.459 -10.367 1.00 1.03 H new ATOM 0 HG2 LYS A 69 -5.365 10.752 -12.674 1.00 1.10 H new ATOM 0 HG3 LYS A 69 -6.232 9.369 -12.036 1.00 1.10 H new ATOM 0 HD2 LYS A 69 -7.846 10.793 -10.917 1.00 1.19 H new ATOM 0 HD3 LYS A 69 -6.901 12.230 -11.254 1.00 1.19 H new ATOM 0 HE2 LYS A 69 -7.243 11.831 -13.714 1.00 1.38 H new ATOM 0 HE3 LYS A 69 -8.266 10.463 -13.323 1.00 1.38 H new ATOM 0 HZ1 LYS A 69 -9.571 12.442 -13.741 1.00 1.58 H new ATOM 0 HZ2 LYS A 69 -9.758 11.956 -12.125 1.00 1.58 H new ATOM 0 HZ3 LYS A 69 -8.766 13.282 -12.504 1.00 1.58 H new ATOM 991 N ILE A 70 -2.864 9.229 -8.465 1.00 1.07 N ATOM 992 CA ILE A 70 -1.970 9.499 -7.341 1.00 1.12 C ATOM 993 C ILE A 70 -0.589 8.904 -7.597 1.00 1.25 C ATOM 994 O ILE A 70 0.406 9.341 -7.017 1.00 1.37 O ATOM 995 CB ILE A 70 -2.531 8.949 -6.009 1.00 1.09 C ATOM 996 CG1 ILE A 70 -2.885 7.466 -6.144 1.00 1.09 C ATOM 997 CG2 ILE A 70 -3.747 9.760 -5.579 1.00 1.14 C ATOM 998 CD1 ILE A 70 -3.432 6.849 -4.873 1.00 1.19 C ATOM 0 H ILE A 70 -3.502 8.446 -8.319 1.00 1.07 H new ATOM 0 HA ILE A 70 -1.889 10.582 -7.253 1.00 1.12 H new ATOM 0 HB ILE A 70 -1.763 9.042 -5.241 1.00 1.09 H new ATOM 0 HG12 ILE A 70 -3.621 7.349 -6.939 1.00 1.09 H new ATOM 0 HG13 ILE A 70 -1.995 6.916 -6.450 1.00 1.09 H new ATOM 0 HG21 ILE A 70 -4.135 9.365 -4.640 1.00 1.14 H new ATOM 0 HG22 ILE A 70 -3.459 10.802 -5.443 1.00 1.14 H new ATOM 0 HG23 ILE A 70 -4.518 9.694 -6.346 1.00 1.14 H new ATOM 0 HD11 ILE A 70 -3.659 5.797 -5.048 1.00 1.19 H new ATOM 0 HD12 ILE A 70 -2.690 6.933 -4.079 1.00 1.19 H new ATOM 0 HD13 ILE A 70 -4.341 7.372 -4.577 1.00 1.19 H new ATOM 1122 N LEU B 8 8.015 20.618 15.821 1.00 0.80 N ATOM 1123 CA LEU B 8 8.482 21.190 14.539 1.00 0.77 C ATOM 1124 C LEU B 8 9.960 21.625 14.657 1.00 0.77 C ATOM 1125 O LEU B 8 10.294 22.748 15.028 1.00 0.79 O ATOM 1126 CB LEU B 8 7.560 22.355 14.136 1.00 0.78 C ATOM 1127 CG LEU B 8 7.812 22.958 12.738 1.00 0.76 C ATOM 1128 CD1 LEU B 8 6.534 23.642 12.258 1.00 0.77 C ATOM 1129 CD2 LEU B 8 8.908 24.027 12.723 1.00 0.77 C ATOM 0 HA LEU B 8 8.434 20.437 13.752 1.00 0.77 H new ATOM 0 HB2 LEU B 8 6.527 22.009 14.181 1.00 0.78 H new ATOM 0 HB3 LEU B 8 7.663 23.148 14.877 1.00 0.78 H new ATOM 0 HG LEU B 8 8.124 22.130 12.101 1.00 0.76 H new ATOM 0 HD11 LEU B 8 6.700 24.072 11.270 1.00 0.77 H new ATOM 0 HD12 LEU B 8 5.728 22.910 12.204 1.00 0.77 H new ATOM 0 HD13 LEU B 8 6.260 24.433 12.957 1.00 0.77 H new ATOM 0 HD21 LEU B 8 9.032 24.407 11.709 1.00 0.77 H new ATOM 0 HD22 LEU B 8 8.627 24.846 13.385 1.00 0.77 H new ATOM 0 HD23 LEU B 8 9.847 23.590 13.064 1.00 0.77 H new ATOM 1141 N ARG B 9 10.813 20.619 14.563 1.00 0.75 N ATOM 1142 CA ARG B 9 12.269 20.831 14.657 1.00 0.75 C ATOM 1143 C ARG B 9 13.011 20.122 13.523 1.00 0.72 C ATOM 1144 O ARG B 9 13.594 20.763 12.655 1.00 0.71 O ATOM 1145 CB ARG B 9 12.812 20.472 16.053 1.00 0.79 C ATOM 1146 CG ARG B 9 12.534 19.028 16.484 1.00 0.79 C ATOM 1147 CD ARG B 9 13.271 18.670 17.771 1.00 0.82 C ATOM 1148 NE ARG B 9 13.039 17.247 18.086 1.00 0.82 N ATOM 1149 CZ ARG B 9 11.926 16.709 18.589 1.00 0.83 C ATOM 1150 NH1 ARG B 9 10.854 17.444 18.862 1.00 0.85 N ATOM 1151 NH2 ARG B 9 11.888 15.414 18.870 1.00 0.84 N ATOM 0 H ARG B 9 10.536 19.647 14.422 1.00 0.75 H new ATOM 0 HA ARG B 9 12.459 21.897 14.529 1.00 0.75 H new ATOM 0 HB2 ARG B 9 13.889 20.642 16.066 1.00 0.79 H new ATOM 0 HB3 ARG B 9 12.373 21.149 16.786 1.00 0.79 H new ATOM 0 HG2 ARG B 9 11.462 18.892 16.629 1.00 0.79 H new ATOM 0 HG3 ARG B 9 12.838 18.346 15.689 1.00 0.79 H new ATOM 0 HD2 ARG B 9 14.338 18.860 17.657 1.00 0.82 H new ATOM 0 HD3 ARG B 9 12.921 19.298 18.591 1.00 0.82 H new ATOM 0 HE ARG B 9 13.811 16.607 17.900 1.00 0.82 H new ATOM 0 HH11 ARG B 9 10.867 18.449 18.688 1.00 0.85 H new ATOM 0 HH12 ARG B 9 10.018 17.004 19.246 1.00 0.85 H new ATOM 0 HH21 ARG B 9 12.708 14.831 18.702 1.00 0.84 H new ATOM 0 HH22 ARG B 9 11.039 15.000 19.255 1.00 0.84 H new ATOM 1165 N GLU B 10 12.931 18.787 13.529 1.00 0.71 N ATOM 1166 CA GLU B 10 13.678 17.919 12.613 1.00 0.68 C ATOM 1167 C GLU B 10 12.927 16.606 12.389 1.00 0.66 C ATOM 1168 O GLU B 10 12.626 15.876 13.335 1.00 0.68 O ATOM 1169 CB GLU B 10 15.057 17.594 13.198 1.00 0.70 C ATOM 1170 CG GLU B 10 15.954 18.832 13.321 1.00 0.72 C ATOM 1171 CD GLU B 10 17.356 18.522 13.846 1.00 0.75 C ATOM 1172 OE1 GLU B 10 17.820 17.382 13.624 1.00 0.74 O ATOM 1173 OE2 GLU B 10 17.943 19.447 14.446 1.00 0.77 O ATOM 0 H GLU B 10 12.337 18.272 14.179 1.00 0.71 H new ATOM 0 HA GLU B 10 13.789 18.447 11.666 1.00 0.68 H new ATOM 0 HB2 GLU B 10 14.932 17.141 14.182 1.00 0.70 H new ATOM 0 HB3 GLU B 10 15.550 16.854 12.567 1.00 0.70 H new ATOM 0 HG2 GLU B 10 16.038 19.308 12.344 1.00 0.72 H new ATOM 0 HG3 GLU B 10 15.477 19.552 13.986 1.00 0.72 H new ATOM 1180 N LEU B 11 12.509 16.435 11.147 1.00 0.63 N ATOM 1181 CA LEU B 11 11.785 15.230 10.709 1.00 0.61 C ATOM 1182 C LEU B 11 12.481 14.605 9.500 1.00 0.58 C ATOM 1183 O LEU B 11 12.945 15.304 8.598 1.00 0.57 O ATOM 1184 CB LEU B 11 10.346 15.604 10.354 1.00 0.60 C ATOM 1185 CG LEU B 11 9.585 16.122 11.573 1.00 0.64 C ATOM 1186 CD1 LEU B 11 8.993 17.500 11.273 1.00 0.65 C ATOM 1187 CD2 LEU B 11 8.499 15.130 11.984 1.00 0.64 C ATOM 0 H LEU B 11 12.656 17.120 10.406 1.00 0.63 H new ATOM 0 HA LEU B 11 11.779 14.500 11.519 1.00 0.61 H new ATOM 0 HB2 LEU B 11 10.349 16.366 9.575 1.00 0.60 H new ATOM 0 HB3 LEU B 11 9.833 14.733 9.946 1.00 0.60 H new ATOM 0 HG LEU B 11 10.277 16.223 12.409 1.00 0.64 H new ATOM 0 HD11 LEU B 11 8.452 17.862 12.147 1.00 0.65 H new ATOM 0 HD12 LEU B 11 9.796 18.196 11.029 1.00 0.65 H new ATOM 0 HD13 LEU B 11 8.308 17.426 10.428 1.00 0.65 H new ATOM 0 HD21 LEU B 11 7.966 15.514 12.854 1.00 0.64 H new ATOM 0 HD22 LEU B 11 7.799 14.995 11.160 1.00 0.64 H new ATOM 0 HD23 LEU B 11 8.956 14.172 12.232 1.00 0.64 H new ATOM 1199 N ARG B 12 12.516 13.284 9.526 1.00 0.57 N ATOM 1200 CA ARG B 12 13.215 12.490 8.498 1.00 0.55 C ATOM 1201 C ARG B 12 12.170 11.844 7.594 1.00 0.52 C ATOM 1202 O ARG B 12 11.086 11.478 8.053 1.00 0.52 O ATOM 1203 CB ARG B 12 14.051 11.387 9.175 1.00 0.57 C ATOM 1204 CG ARG B 12 14.861 11.846 10.396 1.00 0.60 C ATOM 1205 CD ARG B 12 15.692 13.090 10.077 1.00 0.61 C ATOM 1206 NE ARG B 12 16.570 13.450 11.190 1.00 0.65 N ATOM 1207 CZ ARG B 12 17.880 13.272 11.114 1.00 0.67 C ATOM 1208 NH1 ARG B 12 18.412 12.081 11.351 1.00 0.68 N ATOM 1209 NH2 ARG B 12 18.665 14.311 10.890 1.00 0.68 N ATOM 0 H ARG B 12 12.068 12.723 10.250 1.00 0.57 H new ATOM 0 HA ARG B 12 13.875 13.133 7.916 1.00 0.55 H new ATOM 0 HB2 ARG B 12 13.383 10.582 9.482 1.00 0.57 H new ATOM 0 HB3 ARG B 12 14.737 10.968 8.439 1.00 0.57 H new ATOM 0 HG2 ARG B 12 14.185 12.060 11.224 1.00 0.60 H new ATOM 0 HG3 ARG B 12 15.519 11.041 10.722 1.00 0.60 H new ATOM 0 HD2 ARG B 12 16.291 12.909 9.184 1.00 0.61 H new ATOM 0 HD3 ARG B 12 15.028 13.924 9.852 1.00 0.61 H new ATOM 0 HE ARG B 12 16.166 13.845 12.039 1.00 0.65 H new ATOM 0 HH11 ARG B 12 17.811 11.293 11.594 1.00 0.68 H new ATOM 0 HH12 ARG B 12 19.422 11.952 11.290 1.00 0.68 H new ATOM 0 HH21 ARG B 12 18.261 15.241 10.777 1.00 0.68 H new ATOM 0 HH22 ARG B 12 19.675 14.183 10.830 1.00 0.68 H new ATOM 1223 N CYS B 13 12.511 11.699 6.316 1.00 0.50 N ATOM 1224 CA CYS B 13 11.662 10.957 5.368 1.00 0.48 C ATOM 1225 C CYS B 13 11.388 9.544 5.906 1.00 0.48 C ATOM 1226 O CYS B 13 12.197 8.984 6.646 1.00 0.49 O ATOM 1227 CB CYS B 13 12.374 10.864 4.019 1.00 0.47 C ATOM 1228 SG CYS B 13 12.346 12.410 3.039 1.00 0.48 S ATOM 0 H CYS B 13 13.364 12.081 5.908 1.00 0.50 H new ATOM 0 HA CYS B 13 10.714 11.480 5.246 1.00 0.48 H new ATOM 0 HB2 CYS B 13 13.411 10.575 4.189 1.00 0.47 H new ATOM 0 HB3 CYS B 13 11.913 10.069 3.433 1.00 0.47 H new ATOM 1233 N VAL B 14 10.236 8.993 5.531 1.00 0.46 N ATOM 1234 CA VAL B 14 9.865 7.612 5.936 1.00 0.46 C ATOM 1235 C VAL B 14 10.893 6.576 5.426 1.00 0.46 C ATOM 1236 O VAL B 14 11.125 5.541 6.042 1.00 0.47 O ATOM 1237 CB VAL B 14 8.406 7.279 5.545 1.00 0.45 C ATOM 1238 CG1 VAL B 14 8.125 7.228 4.041 1.00 0.43 C ATOM 1239 CG2 VAL B 14 7.933 5.966 6.175 1.00 0.46 C ATOM 0 H VAL B 14 9.540 9.464 4.953 1.00 0.46 H new ATOM 0 HA VAL B 14 9.902 7.556 7.024 1.00 0.46 H new ATOM 0 HB VAL B 14 7.843 8.123 5.943 1.00 0.45 H new ATOM 0 HG11 VAL B 14 7.075 6.987 3.875 1.00 0.43 H new ATOM 0 HG12 VAL B 14 8.350 8.197 3.596 1.00 0.43 H new ATOM 0 HG13 VAL B 14 8.750 6.463 3.580 1.00 0.43 H new ATOM 0 HG21 VAL B 14 6.904 5.769 5.875 1.00 0.46 H new ATOM 0 HG22 VAL B 14 8.572 5.150 5.838 1.00 0.46 H new ATOM 0 HG23 VAL B 14 7.986 6.044 7.261 1.00 0.46 H new ATOM 1249 N CYS B 15 11.480 6.900 4.278 1.00 0.45 N ATOM 1250 CA CYS B 15 12.504 6.091 3.603 1.00 0.45 C ATOM 1251 C CYS B 15 13.817 6.855 3.467 1.00 0.47 C ATOM 1252 O CYS B 15 13.917 7.805 2.689 1.00 0.47 O ATOM 1253 CB CYS B 15 12.034 5.723 2.199 1.00 0.43 C ATOM 1254 SG CYS B 15 10.736 4.454 2.203 1.00 0.42 S ATOM 0 H CYS B 15 11.254 7.756 3.772 1.00 0.45 H new ATOM 0 HA CYS B 15 12.663 5.199 4.209 1.00 0.45 H new ATOM 0 HB2 CYS B 15 11.660 6.617 1.700 1.00 0.43 H new ATOM 0 HB3 CYS B 15 12.884 5.365 1.618 1.00 0.43 H new ATOM 1259 N LEU B 16 14.765 6.481 4.316 1.00 0.49 N ATOM 1260 CA LEU B 16 16.129 7.044 4.248 1.00 0.52 C ATOM 1261 C LEU B 16 17.027 6.369 3.200 1.00 0.54 C ATOM 1262 O LEU B 16 17.862 7.019 2.564 1.00 0.55 O ATOM 1263 CB LEU B 16 16.789 7.021 5.631 1.00 0.55 C ATOM 1264 CG LEU B 16 16.085 7.943 6.638 1.00 0.55 C ATOM 1265 CD1 LEU B 16 16.754 7.809 8.007 1.00 0.58 C ATOM 1266 CD2 LEU B 16 16.107 9.411 6.190 1.00 0.54 C ATOM 0 H LEU B 16 14.627 5.796 5.059 1.00 0.49 H new ATOM 0 HA LEU B 16 16.016 8.077 3.919 1.00 0.52 H new ATOM 0 HB2 LEU B 16 16.785 6.001 6.014 1.00 0.55 H new ATOM 0 HB3 LEU B 16 17.832 7.322 5.536 1.00 0.55 H new ATOM 0 HG LEU B 16 15.041 7.635 6.698 1.00 0.55 H new ATOM 0 HD11 LEU B 16 16.255 8.463 8.722 1.00 0.58 H new ATOM 0 HD12 LEU B 16 16.681 6.776 8.348 1.00 0.58 H new ATOM 0 HD13 LEU B 16 17.804 8.092 7.928 1.00 0.58 H new ATOM 0 HD21 LEU B 16 15.598 10.026 6.932 1.00 0.54 H new ATOM 0 HD22 LEU B 16 17.140 9.745 6.089 1.00 0.54 H new ATOM 0 HD23 LEU B 16 15.599 9.506 5.230 1.00 0.54 H new ATOM 1278 N GLN B 17 16.815 5.084 3.013 1.00 0.53 N ATOM 1279 CA GLN B 17 17.568 4.237 2.081 1.00 0.55 C ATOM 1280 C GLN B 17 16.663 3.798 0.918 1.00 0.53 C ATOM 1281 O GLN B 17 15.477 4.122 0.859 1.00 0.50 O ATOM 1282 CB GLN B 17 18.172 3.026 2.820 1.00 0.58 C ATOM 1283 CG GLN B 17 17.169 1.967 3.311 1.00 0.56 C ATOM 1284 CD GLN B 17 16.272 2.405 4.478 1.00 0.55 C ATOM 1285 OE1 GLN B 17 16.376 3.450 5.101 1.00 0.55 O ATOM 1286 NE2 GLN B 17 15.342 1.555 4.830 1.00 0.54 N ATOM 0 H GLN B 17 16.091 4.572 3.518 1.00 0.53 H new ATOM 0 HA GLN B 17 18.395 4.812 1.664 1.00 0.55 H new ATOM 0 HB2 GLN B 17 18.887 2.540 2.156 1.00 0.58 H new ATOM 0 HB3 GLN B 17 18.733 3.393 3.680 1.00 0.58 H new ATOM 0 HG2 GLN B 17 16.533 1.677 2.474 1.00 0.56 H new ATOM 0 HG3 GLN B 17 17.723 1.078 3.614 1.00 0.56 H new ATOM 0 HE21 GLN B 17 15.237 0.676 4.324 1.00 0.54 H new ATOM 0 HE22 GLN B 17 14.722 1.772 5.611 1.00 0.54 H new ATOM 1295 N THR B 18 17.262 3.008 0.045 1.00 0.55 N ATOM 1296 CA THR B 18 16.580 2.442 -1.133 1.00 0.54 C ATOM 1297 C THR B 18 16.781 0.918 -1.216 1.00 0.55 C ATOM 1298 O THR B 18 17.387 0.298 -0.338 1.00 0.57 O ATOM 1299 CB THR B 18 17.085 3.193 -2.376 1.00 0.56 C ATOM 1300 OG1 THR B 18 16.327 2.763 -3.503 1.00 0.55 O ATOM 1301 CG2 THR B 18 18.586 3.016 -2.647 1.00 0.60 C ATOM 0 H THR B 18 18.241 2.732 0.123 1.00 0.55 H new ATOM 0 HA THR B 18 15.501 2.580 -1.059 1.00 0.54 H new ATOM 0 HB THR B 18 16.947 4.258 -2.189 1.00 0.56 H new ATOM 0 HG1 THR B 18 16.935 2.472 -4.214 1.00 0.55 H new ATOM 0 HG21 THR B 18 18.863 3.576 -3.540 1.00 0.60 H new ATOM 0 HG22 THR B 18 19.156 3.386 -1.795 1.00 0.60 H new ATOM 0 HG23 THR B 18 18.806 1.959 -2.799 1.00 0.60 H new ATOM 1309 N THR B 19 16.353 0.341 -2.334 1.00 0.55 N ATOM 1310 CA THR B 19 16.435 -1.095 -2.647 1.00 0.57 C ATOM 1311 C THR B 19 16.368 -1.311 -4.169 1.00 0.58 C ATOM 1312 O THR B 19 15.786 -0.518 -4.917 1.00 0.57 O ATOM 1313 CB THR B 19 15.295 -1.852 -1.932 1.00 0.54 C ATOM 1314 OG1 THR B 19 15.387 -1.641 -0.518 1.00 0.54 O ATOM 1315 CG2 THR B 19 15.308 -3.364 -2.173 1.00 0.56 C ATOM 0 H THR B 19 15.919 0.879 -3.084 1.00 0.55 H new ATOM 0 HA THR B 19 17.388 -1.487 -2.291 1.00 0.57 H new ATOM 0 HB THR B 19 14.371 -1.453 -2.350 1.00 0.54 H new ATOM 0 HG1 THR B 19 14.846 -0.863 -0.267 1.00 0.54 H new ATOM 0 HG21 THR B 19 14.478 -3.825 -1.638 1.00 0.56 H new ATOM 0 HG22 THR B 19 15.208 -3.563 -3.240 1.00 0.56 H new ATOM 0 HG23 THR B 19 16.248 -3.782 -1.813 1.00 0.56 H new ATOM 1323 N GLN B 20 16.987 -2.407 -4.580 1.00 0.61 N ATOM 1324 CA GLN B 20 17.035 -2.893 -5.961 1.00 0.64 C ATOM 1325 C GLN B 20 16.608 -4.360 -6.072 1.00 0.64 C ATOM 1326 O GLN B 20 17.394 -5.288 -6.257 1.00 0.68 O ATOM 1327 CB GLN B 20 18.414 -2.631 -6.599 1.00 0.68 C ATOM 1328 CG GLN B 20 19.620 -3.368 -6.004 1.00 0.72 C ATOM 1329 CD GLN B 20 19.977 -2.997 -4.562 1.00 0.70 C ATOM 1330 OE1 GLN B 20 19.573 -2.016 -3.957 1.00 0.68 O ATOM 1331 NE2 GLN B 20 20.831 -3.796 -3.977 1.00 0.73 N ATOM 0 H GLN B 20 17.494 -3.013 -3.935 1.00 0.61 H new ATOM 0 HA GLN B 20 16.304 -2.321 -6.533 1.00 0.64 H new ATOM 0 HB2 GLN B 20 18.350 -2.889 -7.656 1.00 0.68 H new ATOM 0 HB3 GLN B 20 18.613 -1.561 -6.543 1.00 0.68 H new ATOM 0 HG2 GLN B 20 19.425 -4.440 -6.047 1.00 0.72 H new ATOM 0 HG3 GLN B 20 20.488 -3.176 -6.635 1.00 0.72 H new ATOM 0 HE21 GLN B 20 21.178 -4.620 -4.469 1.00 0.73 H new ATOM 0 HE22 GLN B 20 21.150 -3.596 -3.029 1.00 0.73 H new ATOM 1340 N GLY B 21 15.297 -4.540 -5.896 1.00 0.61 N ATOM 1341 CA GLY B 21 14.715 -5.864 -6.092 1.00 0.61 C ATOM 1342 C GLY B 21 14.403 -6.115 -7.581 1.00 0.63 C ATOM 1343 O GLY B 21 14.543 -5.194 -8.379 1.00 0.64 O ATOM 0 H GLY B 21 14.638 -3.809 -5.627 1.00 0.61 H new ATOM 0 HA2 GLY B 21 15.404 -6.626 -5.728 1.00 0.61 H new ATOM 0 HA3 GLY B 21 13.801 -5.954 -5.505 1.00 0.61 H new ATOM 1347 N VAL B 22 13.818 -7.229 -8.005 1.00 0.64 N ATOM 1348 CA VAL B 22 13.175 -8.417 -7.368 1.00 0.63 C ATOM 1349 C VAL B 22 11.906 -8.721 -8.195 1.00 0.62 C ATOM 1350 O VAL B 22 11.651 -8.075 -9.209 1.00 0.63 O ATOM 1351 CB VAL B 22 12.847 -8.295 -5.851 1.00 0.60 C ATOM 1352 CG1 VAL B 22 11.693 -7.338 -5.509 1.00 0.56 C ATOM 1353 CG2 VAL B 22 12.715 -9.654 -5.152 1.00 0.61 C ATOM 0 H VAL B 22 13.767 -7.358 -9.015 1.00 0.64 H new ATOM 0 HA VAL B 22 13.899 -9.232 -7.383 1.00 0.63 H new ATOM 0 HB VAL B 22 13.730 -7.812 -5.433 1.00 0.60 H new ATOM 0 HG11 VAL B 22 11.542 -7.322 -4.430 1.00 0.56 H new ATOM 0 HG12 VAL B 22 11.938 -6.334 -5.856 1.00 0.56 H new ATOM 0 HG13 VAL B 22 10.781 -7.679 -5.998 1.00 0.56 H new ATOM 0 HG21 VAL B 22 12.486 -9.500 -4.097 1.00 0.61 H new ATOM 0 HG22 VAL B 22 11.913 -10.226 -5.618 1.00 0.61 H new ATOM 0 HG23 VAL B 22 13.652 -10.203 -5.243 1.00 0.61 H new ATOM 1363 N HIS B 23 11.080 -9.647 -7.727 1.00 0.61 N ATOM 1364 CA HIS B 23 9.795 -9.945 -8.366 1.00 0.61 C ATOM 1365 C HIS B 23 8.638 -9.637 -7.393 1.00 0.57 C ATOM 1366 O HIS B 23 8.755 -9.930 -6.195 1.00 0.56 O ATOM 1367 CB HIS B 23 9.794 -11.409 -8.821 1.00 0.64 C ATOM 1368 CG HIS B 23 8.611 -11.714 -9.746 1.00 0.64 C ATOM 1369 ND1 HIS B 23 7.362 -11.920 -9.344 1.00 0.63 N ATOM 1370 CD2 HIS B 23 8.640 -11.857 -11.068 1.00 0.67 C ATOM 1371 CE1 HIS B 23 6.617 -12.206 -10.409 1.00 0.65 C ATOM 1372 NE2 HIS B 23 7.410 -12.167 -11.475 1.00 0.68 N ATOM 0 H HIS B 23 11.275 -10.212 -6.900 1.00 0.61 H new ATOM 0 HA HIS B 23 9.651 -9.315 -9.244 1.00 0.61 H new ATOM 0 HB2 HIS B 23 10.727 -11.630 -9.339 1.00 0.64 H new ATOM 0 HB3 HIS B 23 9.752 -12.061 -7.949 1.00 0.64 H new ATOM 0 HD2 HIS B 23 9.508 -11.742 -11.700 1.00 0.67 H new ATOM 0 HE1 HIS B 23 5.560 -12.429 -10.407 1.00 0.65 H new ATOM 0 HE2 HIS B 23 7.126 -12.344 -12.438 1.00 0.68 H new ATOM 1380 N PRO B 24 7.518 -9.124 -7.931 1.00 0.57 N ATOM 1381 CA PRO B 24 6.262 -8.879 -7.192 1.00 0.55 C ATOM 1382 C PRO B 24 5.788 -10.101 -6.409 1.00 0.55 C ATOM 1383 O PRO B 24 5.030 -9.948 -5.462 1.00 0.53 O ATOM 1384 CB PRO B 24 5.207 -8.635 -8.262 1.00 0.56 C ATOM 1385 CG PRO B 24 5.994 -8.024 -9.407 1.00 0.58 C ATOM 1386 CD PRO B 24 7.351 -8.712 -9.341 1.00 0.59 C ATOM 0 HA PRO B 24 6.418 -8.060 -6.490 1.00 0.55 H new ATOM 0 HB2 PRO B 24 4.718 -9.562 -8.561 1.00 0.56 H new ATOM 0 HB3 PRO B 24 4.426 -7.962 -7.909 1.00 0.56 H new ATOM 0 HG2 PRO B 24 5.505 -8.201 -10.365 1.00 0.58 H new ATOM 0 HG3 PRO B 24 6.090 -6.944 -9.292 1.00 0.58 H new ATOM 0 HD2 PRO B 24 7.387 -9.573 -10.008 1.00 0.59 H new ATOM 0 HD3 PRO B 24 8.149 -8.036 -9.649 1.00 0.59 H new ATOM 1394 N LYS B 25 6.238 -11.289 -6.809 1.00 0.57 N ATOM 1395 CA LYS B 25 5.895 -12.570 -6.174 1.00 0.58 C ATOM 1396 C LYS B 25 6.132 -12.557 -4.653 1.00 0.56 C ATOM 1397 O LYS B 25 5.416 -13.212 -3.905 1.00 0.57 O ATOM 1398 CB LYS B 25 6.734 -13.673 -6.814 1.00 0.61 C ATOM 1399 CG LYS B 25 5.906 -14.948 -6.959 1.00 0.62 C ATOM 1400 CD LYS B 25 6.683 -16.088 -7.620 1.00 0.66 C ATOM 1401 CE LYS B 25 7.774 -16.644 -6.705 1.00 0.67 C ATOM 1402 NZ LYS B 25 7.672 -18.104 -6.641 1.00 0.69 N ATOM 0 H LYS B 25 6.868 -11.395 -7.604 1.00 0.57 H new ATOM 0 HA LYS B 25 4.831 -12.748 -6.329 1.00 0.58 H new ATOM 0 HB2 LYS B 25 7.090 -13.348 -7.792 1.00 0.61 H new ATOM 0 HB3 LYS B 25 7.615 -13.870 -6.204 1.00 0.61 H new ATOM 0 HG2 LYS B 25 5.566 -15.269 -5.974 1.00 0.62 H new ATOM 0 HG3 LYS B 25 5.015 -14.732 -7.549 1.00 0.62 H new ATOM 0 HD2 LYS B 25 5.994 -16.888 -7.890 1.00 0.66 H new ATOM 0 HD3 LYS B 25 7.134 -15.730 -8.546 1.00 0.66 H new ATOM 0 HE2 LYS B 25 8.756 -16.355 -7.078 1.00 0.67 H new ATOM 0 HE3 LYS B 25 7.675 -16.219 -5.706 1.00 0.67 H new ATOM 0 HZ1 LYS B 25 8.416 -18.477 -6.018 1.00 0.69 H new ATOM 0 HZ2 LYS B 25 6.740 -18.371 -6.265 1.00 0.69 H new ATOM 0 HZ3 LYS B 25 7.788 -18.502 -7.595 1.00 0.69 H new ATOM 1416 N MET B 26 7.098 -11.741 -4.229 1.00 0.55 N ATOM 1417 CA MET B 26 7.409 -11.528 -2.803 1.00 0.55 C ATOM 1418 C MET B 26 6.584 -10.403 -2.155 1.00 0.52 C ATOM 1419 O MET B 26 6.477 -10.314 -0.929 1.00 0.52 O ATOM 1420 CB MET B 26 8.910 -11.272 -2.632 1.00 0.57 C ATOM 1421 CG MET B 26 9.756 -12.506 -2.977 1.00 0.64 C ATOM 1422 SD MET B 26 9.626 -13.877 -1.768 1.00 0.75 S ATOM 1423 CE MET B 26 8.493 -14.983 -2.587 1.00 0.95 C ATOM 0 H MET B 26 7.692 -11.205 -4.862 1.00 0.55 H new ATOM 0 HA MET B 26 7.128 -12.441 -2.278 1.00 0.55 H new ATOM 0 HB2 MET B 26 9.209 -10.440 -3.269 1.00 0.57 H new ATOM 0 HB3 MET B 26 9.110 -10.973 -1.603 1.00 0.57 H new ATOM 0 HG2 MET B 26 9.456 -12.874 -3.958 1.00 0.64 H new ATOM 0 HG3 MET B 26 10.801 -12.205 -3.055 1.00 0.64 H new ATOM 0 HE1 MET B 26 7.860 -15.470 -1.845 1.00 0.95 H new ATOM 0 HE2 MET B 26 7.870 -14.418 -3.281 1.00 0.95 H new ATOM 0 HE3 MET B 26 9.055 -15.738 -3.136 1.00 0.95 H new ATOM 1433 N ILE B 27 6.022 -9.528 -2.981 1.00 0.50 N ATOM 1434 CA ILE B 27 5.228 -8.399 -2.489 1.00 0.48 C ATOM 1435 C ILE B 27 3.757 -8.784 -2.326 1.00 0.49 C ATOM 1436 O ILE B 27 3.211 -9.540 -3.128 1.00 0.56 O ATOM 1437 CB ILE B 27 5.329 -7.188 -3.447 1.00 0.52 C ATOM 1438 CG1 ILE B 27 6.790 -6.925 -3.837 1.00 0.56 C ATOM 1439 CG2 ILE B 27 4.714 -5.947 -2.813 1.00 0.53 C ATOM 1440 CD1 ILE B 27 7.685 -6.560 -2.671 1.00 0.58 C ATOM 0 H ILE B 27 6.099 -9.576 -3.997 1.00 0.50 H new ATOM 0 HA ILE B 27 5.635 -8.124 -1.516 1.00 0.48 H new ATOM 0 HB ILE B 27 4.769 -7.424 -4.352 1.00 0.52 H new ATOM 0 HG12 ILE B 27 7.190 -7.814 -4.324 1.00 0.56 H new ATOM 0 HG13 ILE B 27 6.820 -6.119 -4.570 1.00 0.56 H new ATOM 0 HG21 ILE B 27 4.796 -5.107 -3.503 1.00 0.53 H new ATOM 0 HG22 ILE B 27 3.663 -6.134 -2.592 1.00 0.53 H new ATOM 0 HG23 ILE B 27 5.243 -5.710 -1.890 1.00 0.53 H new ATOM 0 HD11 ILE B 27 8.700 -6.390 -3.031 1.00 0.58 H new ATOM 0 HD12 ILE B 27 7.312 -5.653 -2.196 1.00 0.58 H new ATOM 0 HD13 ILE B 27 7.688 -7.374 -1.946 1.00 0.58 H new ATOM 1452 N SER B 28 3.119 -8.259 -1.277 1.00 0.47 N ATOM 1453 CA SER B 28 1.715 -8.542 -1.012 1.00 0.54 C ATOM 1454 C SER B 28 0.981 -7.289 -0.528 1.00 0.55 C ATOM 1455 O SER B 28 -0.245 -7.285 -0.416 1.00 0.70 O ATOM 1456 CB SER B 28 1.587 -9.663 0.022 1.00 0.61 C ATOM 1457 OG SER B 28 2.148 -10.871 -0.462 1.00 0.68 O ATOM 0 H SER B 28 3.557 -7.635 -0.599 1.00 0.47 H new ATOM 0 HA SER B 28 1.253 -8.865 -1.945 1.00 0.54 H new ATOM 0 HB2 SER B 28 2.088 -9.370 0.944 1.00 0.61 H new ATOM 0 HB3 SER B 28 0.536 -9.819 0.266 1.00 0.61 H new ATOM 0 HG SER B 28 1.432 -11.517 -0.638 1.00 0.68 H new ATOM 1463 N ASN B 29 1.736 -6.227 -0.242 1.00 0.49 N ATOM 1464 CA ASN B 29 1.153 -4.971 0.229 1.00 0.50 C ATOM 1465 C ASN B 29 1.942 -3.769 -0.292 1.00 0.49 C ATOM 1466 O ASN B 29 3.173 -3.785 -0.304 1.00 0.49 O ATOM 1467 CB ASN B 29 1.101 -4.954 1.764 1.00 0.54 C ATOM 1468 CG ASN B 29 0.761 -3.585 2.332 1.00 0.58 C ATOM 1469 OD1 ASN B 29 -0.399 -3.176 2.351 1.00 0.67 O ATOM 1470 ND2 ASN B 29 1.775 -2.876 2.813 1.00 0.83 N ATOM 0 H ASN B 29 2.752 -6.212 -0.328 1.00 0.49 H new ATOM 0 HA ASN B 29 0.137 -4.900 -0.159 1.00 0.50 H new ATOM 0 HB2 ASN B 29 0.360 -5.677 2.105 1.00 0.54 H new ATOM 0 HB3 ASN B 29 2.065 -5.276 2.158 1.00 0.54 H new ATOM 0 HD21 ASN B 29 1.607 -1.955 3.218 1.00 0.83 H new ATOM 0 HD22 ASN B 29 2.722 -3.252 2.778 1.00 0.83 H new ATOM 1477 N LEU B 30 1.224 -2.732 -0.722 1.00 0.53 N ATOM 1478 CA LEU B 30 1.855 -1.519 -1.237 1.00 0.55 C ATOM 1479 C LEU B 30 1.282 -0.274 -0.565 1.00 0.56 C ATOM 1480 O LEU B 30 0.073 -0.064 -0.556 1.00 0.75 O ATOM 1481 CB LEU B 30 1.668 -1.415 -2.754 1.00 0.60 C ATOM 1482 CG LEU B 30 2.267 -0.161 -3.398 1.00 0.69 C ATOM 1483 CD1 LEU B 30 3.785 -0.242 -3.415 1.00 0.74 C ATOM 1484 CD2 LEU B 30 1.726 0.032 -4.806 1.00 0.75 C ATOM 0 H LEU B 30 0.204 -2.708 -0.724 1.00 0.53 H new ATOM 0 HA LEU B 30 2.920 -1.580 -1.011 1.00 0.55 H new ATOM 0 HB2 LEU B 30 2.115 -2.293 -3.221 1.00 0.60 H new ATOM 0 HB3 LEU B 30 0.601 -1.444 -2.976 1.00 0.60 H new ATOM 0 HG LEU B 30 1.975 0.702 -2.800 1.00 0.69 H new ATOM 0 HD11 LEU B 30 4.192 0.658 -3.876 1.00 0.74 H new ATOM 0 HD12 LEU B 30 4.156 -0.326 -2.394 1.00 0.74 H new ATOM 0 HD13 LEU B 30 4.096 -1.116 -3.987 1.00 0.74 H new ATOM 0 HD21 LEU B 30 2.165 0.928 -5.245 1.00 0.75 H new ATOM 0 HD22 LEU B 30 1.983 -0.834 -5.416 1.00 0.75 H new ATOM 0 HD23 LEU B 30 0.642 0.140 -4.768 1.00 0.75 H new ATOM 1496 N GLN B 31 2.160 0.551 -0.010 1.00 0.50 N ATOM 1497 CA GLN B 31 1.743 1.783 0.653 1.00 0.50 C ATOM 1498 C GLN B 31 2.325 2.998 -0.059 1.00 0.51 C ATOM 1499 O GLN B 31 3.543 3.171 -0.124 1.00 0.60 O ATOM 1500 CB GLN B 31 2.173 1.778 2.123 1.00 0.53 C ATOM 1501 CG GLN B 31 1.604 0.619 2.926 1.00 0.57 C ATOM 1502 CD GLN B 31 2.015 0.660 4.385 1.00 0.75 C ATOM 1503 OE1 GLN B 31 3.042 0.100 4.767 1.00 1.08 O ATOM 1504 NE2 GLN B 31 1.211 1.322 5.208 1.00 1.01 N ATOM 0 H GLN B 31 3.167 0.390 -0.005 1.00 0.50 H new ATOM 0 HA GLN B 31 0.655 1.840 0.609 1.00 0.50 H new ATOM 0 HB2 GLN B 31 3.261 1.743 2.173 1.00 0.53 H new ATOM 0 HB3 GLN B 31 1.863 2.715 2.586 1.00 0.53 H new ATOM 0 HG2 GLN B 31 0.516 0.635 2.859 1.00 0.57 H new ATOM 0 HG3 GLN B 31 1.937 -0.321 2.485 1.00 0.57 H new ATOM 0 HE21 GLN B 31 0.369 1.771 4.847 1.00 1.01 H new ATOM 0 HE22 GLN B 31 1.435 1.381 6.201 1.00 1.01 H new ATOM 1513 N VAL B 32 1.444 3.839 -0.599 1.00 0.49 N ATOM 1514 CA VAL B 32 1.865 5.039 -1.314 1.00 0.51 C ATOM 1515 C VAL B 32 1.691 6.283 -0.449 1.00 0.49 C ATOM 1516 O VAL B 32 0.589 6.593 -0.007 1.00 0.61 O ATOM 1517 CB VAL B 32 1.072 5.222 -2.626 1.00 0.56 C ATOM 1518 CG1 VAL B 32 1.666 6.347 -3.464 1.00 0.61 C ATOM 1519 CG2 VAL B 32 1.034 3.923 -3.415 1.00 0.59 C ATOM 0 H VAL B 32 0.433 3.710 -0.554 1.00 0.49 H new ATOM 0 HA VAL B 32 2.921 4.910 -1.553 1.00 0.51 H new ATOM 0 HB VAL B 32 0.048 5.495 -2.370 1.00 0.56 H new ATOM 0 HG11 VAL B 32 1.091 6.458 -4.384 1.00 0.61 H new ATOM 0 HG12 VAL B 32 1.631 7.279 -2.899 1.00 0.61 H new ATOM 0 HG13 VAL B 32 2.701 6.110 -3.709 1.00 0.61 H new ATOM 0 HG21 VAL B 32 0.471 4.073 -4.336 1.00 0.59 H new ATOM 0 HG22 VAL B 32 2.051 3.615 -3.658 1.00 0.59 H new ATOM 0 HG23 VAL B 32 0.553 3.148 -2.818 1.00 0.59 H new ATOM 1529 N PHE B 33 2.789 6.992 -0.213 1.00 0.48 N ATOM 1530 CA PHE B 33 2.760 8.202 0.600 1.00 0.48 C ATOM 1531 C PHE B 33 3.086 9.430 -0.248 1.00 0.50 C ATOM 1532 O PHE B 33 4.114 9.466 -0.924 1.00 0.56 O ATOM 1533 CB PHE B 33 3.755 8.086 1.759 1.00 0.53 C ATOM 1534 CG PHE B 33 3.304 7.164 2.860 1.00 0.57 C ATOM 1535 CD1 PHE B 33 2.549 7.647 3.917 1.00 0.70 C ATOM 1536 CD2 PHE B 33 3.640 5.819 2.842 1.00 0.65 C ATOM 1537 CE1 PHE B 33 2.136 6.807 4.934 1.00 0.85 C ATOM 1538 CE2 PHE B 33 3.231 4.975 3.858 1.00 0.78 C ATOM 1539 CZ PHE B 33 2.476 5.469 4.904 1.00 0.86 C ATOM 0 H PHE B 33 3.712 6.749 -0.574 1.00 0.48 H new ATOM 0 HA PHE B 33 1.755 8.318 1.006 1.00 0.48 H new ATOM 0 HB2 PHE B 33 4.710 7.732 1.371 1.00 0.53 H new ATOM 0 HB3 PHE B 33 3.928 9.078 2.177 1.00 0.53 H new ATOM 0 HD1 PHE B 33 2.280 8.693 3.946 1.00 0.70 H new ATOM 0 HD2 PHE B 33 4.228 5.426 2.025 1.00 0.65 H new ATOM 0 HE1 PHE B 33 1.548 7.197 5.752 1.00 0.85 H new ATOM 0 HE2 PHE B 33 3.502 3.930 3.834 1.00 0.78 H new ATOM 0 HZ PHE B 33 2.152 4.810 5.696 1.00 0.86 H new ATOM 1549 N ALA B 34 2.206 10.431 -0.211 1.00 0.50 N ATOM 1550 CA ALA B 34 2.412 11.656 -0.982 1.00 0.55 C ATOM 1551 C ALA B 34 3.341 12.630 -0.253 1.00 0.54 C ATOM 1552 O ALA B 34 4.081 12.242 0.652 1.00 0.58 O ATOM 1553 CB ALA B 34 1.076 12.321 -1.280 1.00 0.61 C ATOM 0 H ALA B 34 1.349 10.418 0.341 1.00 0.50 H new ATOM 0 HA ALA B 34 2.891 11.382 -1.922 1.00 0.55 H new ATOM 0 HB1 ALA B 34 1.243 13.232 -1.855 1.00 0.61 H new ATOM 0 HB2 ALA B 34 0.450 11.639 -1.855 1.00 0.61 H new ATOM 0 HB3 ALA B 34 0.576 12.569 -0.344 1.00 0.61 H new ATOM 1559 N ILE B 35 3.299 13.897 -0.666 1.00 0.60 N ATOM 1560 CA ILE B 35 4.126 14.938 -0.065 1.00 0.63 C ATOM 1561 C ILE B 35 3.678 15.238 1.366 1.00 0.59 C ATOM 1562 O ILE B 35 2.514 15.563 1.607 1.00 0.63 O ATOM 1563 CB ILE B 35 4.070 16.236 -0.901 1.00 0.75 C ATOM 1564 CG1 ILE B 35 4.429 15.942 -2.362 1.00 0.90 C ATOM 1565 CG2 ILE B 35 5.002 17.293 -0.321 1.00 0.77 C ATOM 1566 CD1 ILE B 35 4.270 17.135 -3.281 1.00 1.10 C ATOM 0 H ILE B 35 2.696 14.226 -1.420 1.00 0.60 H new ATOM 0 HA ILE B 35 5.151 14.569 -0.045 1.00 0.63 H new ATOM 0 HB ILE B 35 3.053 16.626 -0.865 1.00 0.75 H new ATOM 0 HG12 ILE B 35 5.460 15.593 -2.410 1.00 0.90 H new ATOM 0 HG13 ILE B 35 3.800 15.129 -2.725 1.00 0.90 H new ATOM 0 HG21 ILE B 35 4.946 18.198 -0.925 1.00 0.77 H new ATOM 0 HG22 ILE B 35 4.702 17.521 0.702 1.00 0.77 H new ATOM 0 HG23 ILE B 35 6.025 16.917 -0.324 1.00 0.77 H new ATOM 0 HD11 ILE B 35 4.542 16.850 -4.297 1.00 1.10 H new ATOM 0 HD12 ILE B 35 3.234 17.472 -3.264 1.00 1.10 H new ATOM 0 HD13 ILE B 35 4.920 17.943 -2.944 1.00 1.10 H new ATOM 1578 N GLY B 36 4.608 15.122 2.313 1.00 0.58 N ATOM 1579 CA GLY B 36 4.287 15.376 3.706 1.00 0.59 C ATOM 1580 C GLY B 36 5.151 16.461 4.325 1.00 0.63 C ATOM 1581 O GLY B 36 5.974 17.069 3.639 1.00 0.63 O ATOM 0 H GLY B 36 5.577 14.857 2.139 1.00 0.58 H new ATOM 0 HA2 GLY B 36 3.239 15.665 3.785 1.00 0.59 H new ATOM 0 HA3 GLY B 36 4.408 14.454 4.275 1.00 0.59 H new ATOM 1585 N PRO B 37 4.978 16.726 5.634 1.00 0.67 N ATOM 1586 CA PRO B 37 5.743 17.746 6.362 1.00 0.73 C ATOM 1587 C PRO B 37 7.164 17.289 6.693 1.00 0.71 C ATOM 1588 O PRO B 37 7.994 18.082 7.138 1.00 0.77 O ATOM 1589 CB PRO B 37 4.939 17.949 7.660 1.00 0.79 C ATOM 1590 CG PRO B 37 3.687 17.146 7.503 1.00 0.77 C ATOM 1591 CD PRO B 37 4.006 16.064 6.515 1.00 0.69 C ATOM 0 HA PRO B 37 5.863 18.653 5.769 1.00 0.73 H new ATOM 0 HB2 PRO B 37 5.509 17.616 8.527 1.00 0.79 H new ATOM 0 HB3 PRO B 37 4.709 19.003 7.815 1.00 0.79 H new ATOM 0 HG2 PRO B 37 3.374 16.722 8.457 1.00 0.77 H new ATOM 0 HG3 PRO B 37 2.867 17.769 7.147 1.00 0.77 H new ATOM 0 HD2 PRO B 37 4.428 15.183 6.998 1.00 0.69 H new ATOM 0 HD3 PRO B 37 3.121 15.736 5.971 1.00 0.69 H new ATOM 1599 N GLN B 38 7.434 16.007 6.472 1.00 0.65 N ATOM 1600 CA GLN B 38 8.759 15.435 6.757 1.00 0.65 C ATOM 1601 C GLN B 38 9.551 15.085 5.487 1.00 0.61 C ATOM 1602 O GLN B 38 10.766 14.910 5.530 1.00 0.63 O ATOM 1603 CB GLN B 38 8.588 14.198 7.649 1.00 0.65 C ATOM 1604 CG GLN B 38 7.794 13.061 6.998 1.00 0.59 C ATOM 1605 CD GLN B 38 7.674 11.880 7.955 1.00 0.63 C ATOM 1606 OE1 GLN B 38 7.097 11.956 9.025 1.00 0.71 O ATOM 1607 NE2 GLN B 38 8.177 10.746 7.530 1.00 0.61 N ATOM 0 H GLN B 38 6.759 15.340 6.097 1.00 0.65 H new ATOM 0 HA GLN B 38 9.345 16.195 7.274 1.00 0.65 H new ATOM 0 HB2 GLN B 38 9.574 13.825 7.927 1.00 0.65 H new ATOM 0 HB3 GLN B 38 8.088 14.495 8.571 1.00 0.65 H new ATOM 0 HG2 GLN B 38 6.801 13.415 6.721 1.00 0.59 H new ATOM 0 HG3 GLN B 38 8.287 12.744 6.079 1.00 0.59 H new ATOM 0 HE21 GLN B 38 8.656 10.706 6.630 1.00 0.61 H new ATOM 0 HE22 GLN B 38 8.089 9.904 8.099 1.00 0.61 H new ATOM 1616 N CYS B 39 8.836 14.931 4.374 1.00 0.56 N ATOM 1617 CA CYS B 39 9.457 14.554 3.109 1.00 0.54 C ATOM 1618 C CYS B 39 8.776 15.253 1.934 1.00 0.59 C ATOM 1619 O CYS B 39 7.554 15.190 1.789 1.00 0.67 O ATOM 1620 CB CYS B 39 9.365 13.031 2.939 1.00 0.48 C ATOM 1621 SG CYS B 39 10.667 12.292 1.899 1.00 0.47 S ATOM 0 H CYS B 39 7.826 15.062 4.324 1.00 0.56 H new ATOM 0 HA CYS B 39 10.502 14.864 3.123 1.00 0.54 H new ATOM 0 HB2 CYS B 39 9.402 12.568 3.925 1.00 0.48 H new ATOM 0 HB3 CYS B 39 8.394 12.787 2.508 1.00 0.48 H new ATOM 1626 N SER B 40 9.571 15.918 1.099 1.00 0.64 N ATOM 1627 CA SER B 40 9.041 16.626 -0.065 1.00 0.73 C ATOM 1628 C SER B 40 8.790 15.657 -1.219 1.00 0.72 C ATOM 1629 O SER B 40 7.765 15.735 -1.896 1.00 1.00 O ATOM 1630 CB SER B 40 10.009 17.726 -0.508 1.00 0.87 C ATOM 1631 OG SER B 40 9.458 18.504 -1.556 1.00 1.01 O ATOM 0 H SER B 40 10.583 15.982 1.206 1.00 0.64 H new ATOM 0 HA SER B 40 8.093 17.083 0.219 1.00 0.73 H new ATOM 0 HB2 SER B 40 10.245 18.369 0.340 1.00 0.87 H new ATOM 0 HB3 SER B 40 10.946 17.278 -0.839 1.00 0.87 H new ATOM 0 HG SER B 40 10.097 19.199 -1.818 1.00 1.01 H new ATOM 1637 N LYS B 41 9.735 14.746 -1.432 1.00 0.66 N ATOM 1638 CA LYS B 41 9.628 13.754 -2.496 1.00 0.64 C ATOM 1639 C LYS B 41 8.739 12.593 -2.057 1.00 0.61 C ATOM 1640 O LYS B 41 8.770 12.184 -0.896 1.00 0.61 O ATOM 1641 CB LYS B 41 11.021 13.232 -2.866 1.00 0.64 C ATOM 1642 CG LYS B 41 11.012 12.151 -3.937 1.00 0.71 C ATOM 1643 CD LYS B 41 12.375 11.495 -4.075 1.00 0.81 C ATOM 1644 CE LYS B 41 12.331 10.310 -5.026 1.00 0.97 C ATOM 1645 NZ LYS B 41 13.675 9.696 -5.211 1.00 1.16 N ATOM 0 H LYS B 41 10.588 14.675 -0.878 1.00 0.66 H new ATOM 0 HA LYS B 41 9.178 14.228 -3.369 1.00 0.64 H new ATOM 0 HB2 LYS B 41 11.631 14.067 -3.212 1.00 0.64 H new ATOM 0 HB3 LYS B 41 11.500 12.837 -1.970 1.00 0.64 H new ATOM 0 HG2 LYS B 41 10.267 11.396 -3.687 1.00 0.71 H new ATOM 0 HG3 LYS B 41 10.718 12.586 -4.892 1.00 0.71 H new ATOM 0 HD2 LYS B 41 13.097 12.227 -4.438 1.00 0.81 H new ATOM 0 HD3 LYS B 41 12.721 11.164 -3.096 1.00 0.81 H new ATOM 0 HE2 LYS B 41 11.640 9.561 -4.641 1.00 0.97 H new ATOM 0 HE3 LYS B 41 11.944 10.634 -5.992 1.00 0.97 H new ATOM 0 HZ1 LYS B 41 13.602 8.892 -5.866 1.00 1.16 H new ATOM 0 HZ2 LYS B 41 14.329 10.403 -5.603 1.00 1.16 H new ATOM 0 HZ3 LYS B 41 14.034 9.363 -4.293 1.00 1.16 H new ATOM 1659 N VAL B 42 7.944 12.070 -2.986 1.00 0.61 N ATOM 1660 CA VAL B 42 7.063 10.951 -2.681 1.00 0.62 C ATOM 1661 C VAL B 42 7.854 9.645 -2.647 1.00 0.60 C ATOM 1662 O VAL B 42 8.739 9.413 -3.475 1.00 0.68 O ATOM 1663 CB VAL B 42 5.898 10.839 -3.691 1.00 0.68 C ATOM 1664 CG1 VAL B 42 5.106 12.137 -3.734 1.00 0.72 C ATOM 1665 CG2 VAL B 42 6.402 10.471 -5.080 1.00 0.78 C ATOM 0 H VAL B 42 7.893 12.401 -3.949 1.00 0.61 H new ATOM 0 HA VAL B 42 6.631 11.137 -1.698 1.00 0.62 H new ATOM 0 HB VAL B 42 5.238 10.039 -3.355 1.00 0.68 H new ATOM 0 HG11 VAL B 42 4.290 12.042 -4.450 1.00 0.72 H new ATOM 0 HG12 VAL B 42 4.699 12.348 -2.745 1.00 0.72 H new ATOM 0 HG13 VAL B 42 5.761 12.953 -4.038 1.00 0.72 H new ATOM 0 HG21 VAL B 42 5.558 10.400 -5.766 1.00 0.78 H new ATOM 0 HG22 VAL B 42 7.092 11.238 -5.432 1.00 0.78 H new ATOM 0 HG23 VAL B 42 6.917 9.511 -5.038 1.00 0.78 H new ATOM 1675 N GLU B 43 7.544 8.802 -1.670 1.00 0.56 N ATOM 1676 CA GLU B 43 8.232 7.526 -1.517 1.00 0.54 C ATOM 1677 C GLU B 43 7.231 6.380 -1.443 1.00 0.53 C ATOM 1678 O GLU B 43 6.207 6.479 -0.765 1.00 0.57 O ATOM 1679 CB GLU B 43 9.114 7.553 -0.266 1.00 0.54 C ATOM 1680 CG GLU B 43 9.978 8.802 -0.176 1.00 0.61 C ATOM 1681 CD GLU B 43 10.822 8.851 1.079 1.00 0.68 C ATOM 1682 OE1 GLU B 43 10.248 8.794 2.185 1.00 0.80 O ATOM 1683 OE2 GLU B 43 12.057 8.959 0.954 1.00 0.77 O ATOM 0 H GLU B 43 6.821 8.978 -0.972 1.00 0.56 H new ATOM 0 HA GLU B 43 8.866 7.365 -2.389 1.00 0.54 H new ATOM 0 HB2 GLU B 43 8.481 7.491 0.619 1.00 0.54 H new ATOM 0 HB3 GLU B 43 9.756 6.672 -0.262 1.00 0.54 H new ATOM 0 HG2 GLU B 43 10.631 8.848 -1.048 1.00 0.61 H new ATOM 0 HG3 GLU B 43 9.337 9.683 -0.210 1.00 0.61 H new ATOM 1690 N VAL B 44 7.532 5.294 -2.149 1.00 0.51 N ATOM 1691 CA VAL B 44 6.647 4.134 -2.171 1.00 0.51 C ATOM 1692 C VAL B 44 7.223 2.962 -1.385 1.00 0.49 C ATOM 1693 O VAL B 44 8.200 2.331 -1.795 1.00 0.53 O ATOM 1694 CB VAL B 44 6.330 3.674 -3.610 1.00 0.55 C ATOM 1695 CG1 VAL B 44 5.181 4.486 -4.186 1.00 0.60 C ATOM 1696 CG2 VAL B 44 7.559 3.777 -4.501 1.00 0.59 C ATOM 0 H VAL B 44 8.377 5.193 -2.711 1.00 0.51 H new ATOM 0 HA VAL B 44 5.722 4.457 -1.694 1.00 0.51 H new ATOM 0 HB VAL B 44 6.030 2.627 -3.572 1.00 0.55 H new ATOM 0 HG11 VAL B 44 4.970 4.149 -5.201 1.00 0.60 H new ATOM 0 HG12 VAL B 44 4.294 4.351 -3.567 1.00 0.60 H new ATOM 0 HG13 VAL B 44 5.454 5.541 -4.203 1.00 0.60 H new ATOM 0 HG21 VAL B 44 7.307 3.447 -5.509 1.00 0.59 H new ATOM 0 HG22 VAL B 44 7.899 4.812 -4.533 1.00 0.59 H new ATOM 0 HG23 VAL B 44 8.353 3.146 -4.100 1.00 0.59 H new ATOM 1706 N VAL B 45 6.607 2.688 -0.246 1.00 0.47 N ATOM 1707 CA VAL B 45 7.021 1.568 0.625 1.00 0.46 C ATOM 1708 C VAL B 45 6.138 0.325 0.375 1.00 0.48 C ATOM 1709 O VAL B 45 5.021 0.399 -0.143 1.00 0.51 O ATOM 1710 CB VAL B 45 7.086 1.967 2.119 1.00 0.46 C ATOM 1711 CG1 VAL B 45 7.335 3.448 2.309 1.00 0.61 C ATOM 1712 CG2 VAL B 45 5.799 1.831 2.896 1.00 0.62 C ATOM 0 H VAL B 45 5.813 3.221 0.109 1.00 0.47 H new ATOM 0 HA VAL B 45 8.043 1.302 0.355 1.00 0.46 H new ATOM 0 HB VAL B 45 7.868 1.292 2.467 1.00 0.46 H new ATOM 0 HG11 VAL B 45 7.372 3.677 3.374 1.00 0.61 H new ATOM 0 HG12 VAL B 45 8.284 3.720 1.846 1.00 0.61 H new ATOM 0 HG13 VAL B 45 6.529 4.015 1.844 1.00 0.61 H new ATOM 0 HG21 VAL B 45 5.963 2.138 3.929 1.00 0.62 H new ATOM 0 HG22 VAL B 45 5.034 2.464 2.447 1.00 0.62 H new ATOM 0 HG23 VAL B 45 5.469 0.792 2.874 1.00 0.62 H new ATOM 1722 N ALA B 46 6.728 -0.836 0.589 1.00 0.48 N ATOM 1723 CA ALA B 46 6.035 -2.126 0.402 1.00 0.51 C ATOM 1724 C ALA B 46 6.410 -3.122 1.501 1.00 0.51 C ATOM 1725 O ALA B 46 7.479 -3.017 2.112 1.00 0.50 O ATOM 1726 CB ALA B 46 6.374 -2.705 -0.976 1.00 0.55 C ATOM 0 H ALA B 46 7.696 -0.927 0.896 1.00 0.48 H new ATOM 0 HA ALA B 46 4.961 -1.948 0.464 1.00 0.51 H new ATOM 0 HB1 ALA B 46 5.859 -3.657 -1.107 1.00 0.55 H new ATOM 0 HB2 ALA B 46 6.054 -2.009 -1.752 1.00 0.55 H new ATOM 0 HB3 ALA B 46 7.450 -2.861 -1.050 1.00 0.55 H new ATOM 1732 N SER B 47 5.497 -4.045 1.760 1.00 0.54 N ATOM 1733 CA SER B 47 5.710 -5.127 2.738 1.00 0.57 C ATOM 1734 C SER B 47 5.511 -6.493 2.076 1.00 0.60 C ATOM 1735 O SER B 47 4.530 -6.738 1.361 1.00 0.63 O ATOM 1736 CB SER B 47 4.749 -5.010 3.921 1.00 0.60 C ATOM 1737 OG SER B 47 4.858 -3.713 4.510 1.00 0.58 O ATOM 0 H SER B 47 4.585 -4.075 1.304 1.00 0.54 H new ATOM 0 HA SER B 47 6.733 -5.035 3.103 1.00 0.57 H new ATOM 0 HB2 SER B 47 3.726 -5.183 3.588 1.00 0.60 H new ATOM 0 HB3 SER B 47 4.976 -5.776 4.662 1.00 0.60 H new ATOM 0 HG SER B 47 4.238 -3.644 5.266 1.00 0.58 H new ATOM 1743 N LEU B 48 6.460 -7.384 2.348 1.00 0.62 N ATOM 1744 CA LEU B 48 6.444 -8.739 1.815 1.00 0.67 C ATOM 1745 C LEU B 48 5.439 -9.608 2.565 1.00 0.71 C ATOM 1746 O LEU B 48 4.859 -9.184 3.566 1.00 0.70 O ATOM 1747 CB LEU B 48 7.841 -9.367 1.926 1.00 0.68 C ATOM 1748 CG LEU B 48 8.874 -8.892 0.898 1.00 0.70 C ATOM 1749 CD1 LEU B 48 9.423 -7.519 1.268 1.00 0.70 C ATOM 1750 CD2 LEU B 48 10.005 -9.902 0.783 1.00 0.75 C ATOM 0 H LEU B 48 7.262 -7.185 2.945 1.00 0.62 H new ATOM 0 HA LEU B 48 6.149 -8.685 0.767 1.00 0.67 H new ATOM 0 HB2 LEU B 48 8.231 -9.164 2.924 1.00 0.68 H new ATOM 0 HB3 LEU B 48 7.740 -10.449 1.837 1.00 0.68 H new ATOM 0 HG LEU B 48 8.378 -8.807 -0.069 1.00 0.70 H new ATOM 0 HD11 LEU B 48 10.154 -7.206 0.522 1.00 0.70 H new ATOM 0 HD12 LEU B 48 8.607 -6.798 1.301 1.00 0.70 H new ATOM 0 HD13 LEU B 48 9.902 -7.570 2.246 1.00 0.70 H new ATOM 0 HD21 LEU B 48 10.732 -9.553 0.050 1.00 0.75 H new ATOM 0 HD22 LEU B 48 10.492 -10.015 1.752 1.00 0.75 H new ATOM 0 HD23 LEU B 48 9.603 -10.864 0.465 1.00 0.75 H new ATOM 1762 N LYS B 49 5.243 -10.831 2.077 1.00 0.76 N ATOM 1763 CA LYS B 49 4.319 -11.770 2.704 1.00 0.82 C ATOM 1764 C LYS B 49 4.968 -12.418 3.928 1.00 0.84 C ATOM 1765 O LYS B 49 4.283 -12.962 4.797 1.00 0.89 O ATOM 1766 CB LYS B 49 3.891 -12.843 1.696 1.00 0.89 C ATOM 1767 CG LYS B 49 2.743 -13.720 2.177 1.00 0.98 C ATOM 1768 CD LYS B 49 1.473 -12.912 2.402 1.00 1.05 C ATOM 1769 CE LYS B 49 0.317 -13.798 2.837 1.00 1.23 C ATOM 1770 NZ LYS B 49 0.588 -14.471 4.138 1.00 1.27 N ATOM 0 H LYS B 49 5.713 -11.194 1.248 1.00 0.76 H new ATOM 0 HA LYS B 49 3.434 -11.224 3.030 1.00 0.82 H new ATOM 0 HB2 LYS B 49 3.598 -12.357 0.765 1.00 0.89 H new ATOM 0 HB3 LYS B 49 4.748 -13.476 1.469 1.00 0.89 H new ATOM 0 HG2 LYS B 49 2.551 -14.503 1.443 1.00 0.98 H new ATOM 0 HG3 LYS B 49 3.028 -14.216 3.105 1.00 0.98 H new ATOM 0 HD2 LYS B 49 1.655 -12.151 3.161 1.00 1.05 H new ATOM 0 HD3 LYS B 49 1.206 -12.389 1.484 1.00 1.05 H new ATOM 0 HE2 LYS B 49 -0.588 -13.197 2.922 1.00 1.23 H new ATOM 0 HE3 LYS B 49 0.129 -14.551 2.072 1.00 1.23 H new ATOM 0 HZ1 LYS B 49 -0.282 -14.927 4.481 1.00 1.27 H new ATOM 0 HZ2 LYS B 49 1.328 -15.190 4.009 1.00 1.27 H new ATOM 0 HZ3 LYS B 49 0.907 -13.767 4.833 1.00 1.27 H new ATOM 1784 N ASN B 50 6.295 -12.345 3.989 1.00 0.81 N ATOM 1785 CA ASN B 50 7.054 -12.916 5.100 1.00 0.84 C ATOM 1786 C ASN B 50 6.940 -12.043 6.350 1.00 0.80 C ATOM 1787 O ASN B 50 7.088 -12.531 7.470 1.00 0.97 O ATOM 1788 CB ASN B 50 8.526 -13.071 4.708 1.00 0.86 C ATOM 1789 CG ASN B 50 8.719 -13.974 3.506 1.00 0.94 C ATOM 1790 OD1 ASN B 50 7.955 -14.915 3.290 1.00 0.99 O ATOM 1791 ND2 ASN B 50 9.742 -13.688 2.709 1.00 0.97 N ATOM 0 H ASN B 50 6.870 -11.893 3.278 1.00 0.81 H new ATOM 0 HA ASN B 50 6.635 -13.897 5.326 1.00 0.84 H new ATOM 0 HB2 ASN B 50 8.945 -12.089 4.490 1.00 0.86 H new ATOM 0 HB3 ASN B 50 9.082 -13.475 5.554 1.00 0.86 H new ATOM 0 HD21 ASN B 50 9.918 -14.257 1.881 1.00 0.97 H new ATOM 0 HD22 ASN B 50 10.351 -12.899 2.924 1.00 0.97 H new ATOM 1798 N GLY B 51 6.675 -10.755 6.148 1.00 0.67 N ATOM 1799 CA GLY B 51 6.545 -9.838 7.267 1.00 0.65 C ATOM 1800 C GLY B 51 7.690 -8.846 7.343 1.00 0.60 C ATOM 1801 O GLY B 51 8.209 -8.571 8.426 1.00 0.67 O ATOM 0 H GLY B 51 6.548 -10.330 5.229 1.00 0.67 H new ATOM 0 HA2 GLY B 51 5.604 -9.295 7.180 1.00 0.65 H new ATOM 0 HA3 GLY B 51 6.500 -10.407 8.195 1.00 0.65 H new ATOM 1805 N LYS B 52 8.085 -8.311 6.190 1.00 0.57 N ATOM 1806 CA LYS B 52 9.176 -7.342 6.127 1.00 0.55 C ATOM 1807 C LYS B 52 8.763 -6.105 5.337 1.00 0.51 C ATOM 1808 O LYS B 52 7.880 -6.168 4.489 1.00 0.60 O ATOM 1809 CB LYS B 52 10.416 -7.971 5.486 1.00 0.59 C ATOM 1810 CG LYS B 52 11.130 -8.971 6.383 1.00 0.66 C ATOM 1811 CD LYS B 52 12.401 -9.500 5.735 1.00 0.79 C ATOM 1812 CE LYS B 52 13.454 -8.411 5.590 1.00 0.86 C ATOM 1813 NZ LYS B 52 14.714 -8.934 4.991 1.00 1.05 N ATOM 0 H LYS B 52 7.666 -8.532 5.287 1.00 0.57 H new ATOM 0 HA LYS B 52 9.413 -7.042 7.148 1.00 0.55 H new ATOM 0 HB2 LYS B 52 10.123 -8.470 4.562 1.00 0.59 H new ATOM 0 HB3 LYS B 52 11.114 -7.179 5.213 1.00 0.59 H new ATOM 0 HG2 LYS B 52 11.376 -8.497 7.333 1.00 0.66 H new ATOM 0 HG3 LYS B 52 10.461 -9.803 6.605 1.00 0.66 H new ATOM 0 HD2 LYS B 52 12.802 -10.317 6.335 1.00 0.79 H new ATOM 0 HD3 LYS B 52 12.165 -9.911 4.753 1.00 0.79 H new ATOM 0 HE2 LYS B 52 13.062 -7.607 4.967 1.00 0.86 H new ATOM 0 HE3 LYS B 52 13.668 -7.980 6.568 1.00 0.86 H new ATOM 0 HZ1 LYS B 52 15.406 -8.162 4.909 1.00 1.05 H new ATOM 0 HZ2 LYS B 52 15.102 -9.684 5.598 1.00 1.05 H new ATOM 0 HZ3 LYS B 52 14.515 -9.322 4.047 1.00 1.05 H new ATOM 1827 N GLU B 53 9.413 -4.984 5.623 1.00 0.53 N ATOM 1828 CA GLU B 53 9.124 -3.713 4.937 1.00 0.50 C ATOM 1829 C GLU B 53 10.425 -3.092 4.416 1.00 0.50 C ATOM 1830 O GLU B 53 11.426 -3.002 5.133 1.00 0.52 O ATOM 1831 CB GLU B 53 8.408 -2.756 5.899 1.00 0.51 C ATOM 1832 CG GLU B 53 9.306 -2.333 7.069 1.00 0.66 C ATOM 1833 CD GLU B 53 8.565 -1.573 8.154 1.00 0.66 C ATOM 1834 OE1 GLU B 53 7.636 -2.182 8.720 1.00 0.67 O ATOM 1835 OE2 GLU B 53 9.005 -0.439 8.441 1.00 0.71 O ATOM 0 H GLU B 53 10.148 -4.921 6.327 1.00 0.53 H new ATOM 0 HA GLU B 53 8.470 -3.901 4.085 1.00 0.50 H new ATOM 0 HB2 GLU B 53 8.084 -1.870 5.353 1.00 0.51 H new ATOM 0 HB3 GLU B 53 7.511 -3.238 6.287 1.00 0.51 H new ATOM 0 HG2 GLU B 53 9.764 -3.221 7.506 1.00 0.66 H new ATOM 0 HG3 GLU B 53 10.116 -1.711 6.689 1.00 0.66 H new ATOM 1842 N ILE B 54 10.395 -2.737 3.153 1.00 0.47 N ATOM 1843 CA ILE B 54 11.554 -2.087 2.511 1.00 0.47 C ATOM 1844 C ILE B 54 11.107 -0.791 1.817 1.00 0.45 C ATOM 1845 O ILE B 54 9.915 -0.469 1.765 1.00 0.43 O ATOM 1846 CB ILE B 54 12.274 -3.061 1.558 1.00 0.49 C ATOM 1847 CG1 ILE B 54 11.349 -3.493 0.404 1.00 0.47 C ATOM 1848 CG2 ILE B 54 12.861 -4.245 2.345 1.00 0.52 C ATOM 1849 CD1 ILE B 54 12.030 -4.323 -0.687 1.00 0.49 C ATOM 0 H ILE B 54 9.594 -2.879 2.538 1.00 0.47 H new ATOM 0 HA ILE B 54 12.284 -1.812 3.272 1.00 0.47 H new ATOM 0 HB ILE B 54 13.115 -2.548 1.091 1.00 0.49 H new ATOM 0 HG12 ILE B 54 10.521 -4.070 0.817 1.00 0.47 H new ATOM 0 HG13 ILE B 54 10.919 -2.601 -0.052 1.00 0.47 H new ATOM 0 HG21 ILE B 54 13.366 -4.924 1.658 1.00 0.52 H new ATOM 0 HG22 ILE B 54 13.575 -3.875 3.080 1.00 0.52 H new ATOM 0 HG23 ILE B 54 12.058 -4.777 2.855 1.00 0.52 H new ATOM 0 HD11 ILE B 54 11.302 -4.581 -1.456 1.00 0.49 H new ATOM 0 HD12 ILE B 54 12.839 -3.744 -1.133 1.00 0.49 H new ATOM 0 HD13 ILE B 54 12.435 -5.236 -0.250 1.00 0.49 H new ATOM 1861 N CYS B 55 12.080 -0.127 1.214 1.00 0.45 N ATOM 1862 CA CYS B 55 11.842 1.105 0.454 1.00 0.44 C ATOM 1863 C CYS B 55 12.449 0.963 -0.935 1.00 0.45 C ATOM 1864 O CYS B 55 13.583 0.525 -1.102 1.00 0.48 O ATOM 1865 CB CYS B 55 12.499 2.289 1.154 1.00 0.44 C ATOM 1866 SG CYS B 55 11.702 2.742 2.734 1.00 0.44 S ATOM 0 H CYS B 55 13.057 -0.420 1.233 1.00 0.45 H new ATOM 0 HA CYS B 55 10.768 1.274 0.384 1.00 0.44 H new ATOM 0 HB2 CYS B 55 13.547 2.054 1.340 1.00 0.44 H new ATOM 0 HB3 CYS B 55 12.479 3.151 0.487 1.00 0.44 H new ATOM 1871 N LEU B 56 11.693 1.434 -1.899 1.00 0.44 N ATOM 1872 CA LEU B 56 12.102 1.355 -3.298 1.00 0.47 C ATOM 1873 C LEU B 56 12.337 2.774 -3.824 1.00 0.48 C ATOM 1874 O LEU B 56 11.724 3.740 -3.359 1.00 0.46 O ATOM 1875 CB LEU B 56 10.958 0.598 -3.988 1.00 0.46 C ATOM 1876 CG LEU B 56 10.641 -0.825 -3.504 1.00 0.46 C ATOM 1877 CD1 LEU B 56 9.636 -1.460 -4.464 1.00 0.47 C ATOM 1878 CD2 LEU B 56 11.888 -1.706 -3.387 1.00 0.49 C ATOM 0 H LEU B 56 10.787 1.879 -1.748 1.00 0.44 H new ATOM 0 HA LEU B 56 13.040 0.830 -3.476 1.00 0.47 H new ATOM 0 HB2 LEU B 56 10.052 1.195 -3.885 1.00 0.46 H new ATOM 0 HB3 LEU B 56 11.186 0.546 -5.053 1.00 0.46 H new ATOM 0 HG LEU B 56 10.221 -0.750 -2.501 1.00 0.46 H new ATOM 0 HD11 LEU B 56 9.403 -2.471 -4.130 1.00 0.47 H new ATOM 0 HD12 LEU B 56 8.723 -0.864 -4.482 1.00 0.47 H new ATOM 0 HD13 LEU B 56 10.064 -1.498 -5.466 1.00 0.47 H new ATOM 0 HD21 LEU B 56 11.601 -2.699 -3.041 1.00 0.49 H new ATOM 0 HD22 LEU B 56 12.369 -1.787 -4.362 1.00 0.49 H new ATOM 0 HD23 LEU B 56 12.583 -1.260 -2.675 1.00 0.49 H new ATOM 1890 N ASP B 57 13.221 2.907 -4.806 1.00 0.50 N ATOM 1891 CA ASP B 57 13.498 4.212 -5.398 1.00 0.52 C ATOM 1892 C ASP B 57 12.710 4.374 -6.695 1.00 0.54 C ATOM 1893 O ASP B 57 12.991 3.691 -7.680 1.00 0.59 O ATOM 1894 CB ASP B 57 14.991 4.383 -5.678 1.00 0.57 C ATOM 1895 CG ASP B 57 15.439 5.825 -5.529 1.00 0.58 C ATOM 1896 OD1 ASP B 57 14.804 6.712 -6.136 1.00 0.60 O ATOM 1897 OD2 ASP B 57 16.424 6.066 -4.801 1.00 0.63 O ATOM 0 H ASP B 57 13.754 2.135 -5.207 1.00 0.50 H new ATOM 0 HA ASP B 57 13.191 4.979 -4.687 1.00 0.52 H new ATOM 0 HB2 ASP B 57 15.562 3.754 -4.995 1.00 0.57 H new ATOM 0 HB3 ASP B 57 15.212 4.038 -6.688 1.00 0.57 H new ATOM 1902 N PRO B 58 11.717 5.286 -6.715 1.00 0.55 N ATOM 1903 CA PRO B 58 10.879 5.528 -7.900 1.00 0.61 C ATOM 1904 C PRO B 58 11.658 6.147 -9.057 1.00 0.69 C ATOM 1905 O PRO B 58 11.106 6.379 -10.133 1.00 0.83 O ATOM 1906 CB PRO B 58 9.807 6.506 -7.405 1.00 0.64 C ATOM 1907 CG PRO B 58 9.909 6.512 -5.918 1.00 0.60 C ATOM 1908 CD PRO B 58 11.331 6.156 -5.592 1.00 0.57 C ATOM 0 HA PRO B 58 10.475 4.595 -8.293 1.00 0.61 H new ATOM 0 HB2 PRO B 58 9.972 7.504 -7.811 1.00 0.64 H new ATOM 0 HB3 PRO B 58 8.814 6.192 -7.726 1.00 0.64 H new ATOM 0 HG2 PRO B 58 9.651 7.491 -5.514 1.00 0.60 H new ATOM 0 HG3 PRO B 58 9.218 5.794 -5.478 1.00 0.60 H new ATOM 0 HD2 PRO B 58 11.965 7.041 -5.530 1.00 0.57 H new ATOM 0 HD3 PRO B 58 11.409 5.640 -4.635 1.00 0.57 H new ATOM 1916 N GLU B 59 12.940 6.408 -8.827 1.00 0.65 N ATOM 1917 CA GLU B 59 13.799 6.992 -9.844 1.00 0.77 C ATOM 1918 C GLU B 59 14.352 5.910 -10.773 1.00 0.82 C ATOM 1919 O GLU B 59 14.969 6.217 -11.793 1.00 0.91 O ATOM 1920 CB GLU B 59 14.939 7.772 -9.184 1.00 0.83 C ATOM 1921 CG GLU B 59 15.487 8.903 -10.041 1.00 1.10 C ATOM 1922 CD GLU B 59 16.533 9.724 -9.311 1.00 1.18 C ATOM 1923 OE1 GLU B 59 16.149 10.559 -8.464 1.00 1.28 O ATOM 1924 OE2 GLU B 59 17.738 9.526 -9.584 1.00 1.40 O ATOM 0 H GLU B 59 13.407 6.222 -7.939 1.00 0.65 H new ATOM 0 HA GLU B 59 13.207 7.681 -10.446 1.00 0.77 H new ATOM 0 HB2 GLU B 59 14.585 8.184 -8.239 1.00 0.83 H new ATOM 0 HB3 GLU B 59 15.749 7.082 -8.948 1.00 0.83 H new ATOM 0 HG2 GLU B 59 15.923 8.489 -10.950 1.00 1.10 H new ATOM 0 HG3 GLU B 59 14.668 9.553 -10.348 1.00 1.10 H new ATOM 1931 N ALA B 60 14.128 4.638 -10.420 1.00 0.80 N ATOM 1932 CA ALA B 60 14.598 3.533 -11.260 1.00 0.88 C ATOM 1933 C ALA B 60 13.442 2.955 -12.098 1.00 0.91 C ATOM 1934 O ALA B 60 12.379 2.643 -11.554 1.00 0.89 O ATOM 1935 CB ALA B 60 15.219 2.480 -10.343 1.00 0.88 C ATOM 0 H ALA B 60 13.634 4.353 -9.575 1.00 0.80 H new ATOM 0 HA ALA B 60 15.348 3.883 -11.970 1.00 0.88 H new ATOM 0 HB1 ALA B 60 15.579 1.643 -10.941 1.00 0.88 H new ATOM 0 HB2 ALA B 60 16.053 2.920 -9.796 1.00 0.88 H new ATOM 0 HB3 ALA B 60 14.469 2.125 -9.636 1.00 0.88 H new ATOM 1941 N PRO B 61 13.693 2.710 -13.389 1.00 0.99 N ATOM 1942 CA PRO B 61 12.687 2.183 -14.333 1.00 1.03 C ATOM 1943 C PRO B 61 12.224 0.759 -13.996 1.00 1.03 C ATOM 1944 O PRO B 61 11.023 0.507 -13.903 1.00 1.01 O ATOM 1945 CB PRO B 61 13.369 2.249 -15.702 1.00 1.15 C ATOM 1946 CG PRO B 61 14.851 2.081 -15.369 1.00 1.19 C ATOM 1947 CD PRO B 61 15.003 2.857 -14.062 1.00 1.07 C ATOM 0 HA PRO B 61 11.769 2.770 -14.294 1.00 1.03 H new ATOM 0 HB2 PRO B 61 13.015 1.460 -16.366 1.00 1.15 H new ATOM 0 HB3 PRO B 61 13.175 3.198 -16.202 1.00 1.15 H new ATOM 0 HG2 PRO B 61 15.121 1.032 -15.248 1.00 1.19 H new ATOM 0 HG3 PRO B 61 15.489 2.486 -16.155 1.00 1.19 H new ATOM 0 HD2 PRO B 61 15.810 2.452 -13.452 1.00 1.07 H new ATOM 0 HD3 PRO B 61 15.238 3.905 -14.248 1.00 1.07 H new ATOM 1955 N PHE B 62 13.175 -0.099 -13.616 1.00 1.06 N ATOM 1956 CA PHE B 62 12.881 -1.487 -13.195 1.00 1.08 C ATOM 1957 C PHE B 62 11.968 -1.525 -11.966 1.00 0.98 C ATOM 1958 O PHE B 62 11.173 -2.445 -11.791 1.00 0.98 O ATOM 1959 CB PHE B 62 14.167 -2.268 -12.902 1.00 1.15 C ATOM 1960 CG PHE B 62 14.963 -1.705 -11.722 1.00 1.11 C ATOM 1961 CD1 PHE B 62 14.695 -2.142 -10.432 1.00 1.07 C ATOM 1962 CD2 PHE B 62 15.975 -0.783 -11.954 1.00 1.14 C ATOM 1963 CE1 PHE B 62 15.439 -1.657 -9.369 1.00 1.07 C ATOM 1964 CE2 PHE B 62 16.729 -0.310 -10.891 1.00 1.14 C ATOM 1965 CZ PHE B 62 16.455 -0.737 -9.599 1.00 1.10 C ATOM 0 H PHE B 62 14.166 0.139 -13.589 1.00 1.06 H new ATOM 0 HA PHE B 62 12.362 -1.961 -14.028 1.00 1.08 H new ATOM 0 HB2 PHE B 62 13.913 -3.308 -12.697 1.00 1.15 H new ATOM 0 HB3 PHE B 62 14.797 -2.263 -13.791 1.00 1.15 H new ATOM 0 HD1 PHE B 62 13.907 -2.860 -10.257 1.00 1.07 H new ATOM 0 HD2 PHE B 62 16.174 -0.436 -12.957 1.00 1.14 H new ATOM 0 HE1 PHE B 62 15.230 -1.993 -8.364 1.00 1.07 H new ATOM 0 HE2 PHE B 62 17.531 0.392 -11.068 1.00 1.14 H new ATOM 0 HZ PHE B 62 17.032 -0.354 -8.771 1.00 1.10 H new ATOM 1975 N LEU B 63 12.012 -0.455 -11.188 1.00 0.90 N ATOM 1976 CA LEU B 63 11.179 -0.331 -10.010 1.00 0.80 C ATOM 1977 C LEU B 63 9.740 0.014 -10.401 1.00 0.83 C ATOM 1978 O LEU B 63 8.795 -0.338 -9.701 1.00 0.83 O ATOM 1979 CB LEU B 63 11.744 0.744 -9.097 1.00 0.71 C ATOM 1980 CG LEU B 63 11.496 0.515 -7.619 1.00 0.64 C ATOM 1981 CD1 LEU B 63 12.825 0.427 -6.887 1.00 0.62 C ATOM 1982 CD2 LEU B 63 10.615 1.624 -7.058 1.00 0.62 C ATOM 0 H LEU B 63 12.622 0.345 -11.356 1.00 0.90 H new ATOM 0 HA LEU B 63 11.171 -1.285 -9.483 1.00 0.80 H new ATOM 0 HB2 LEU B 63 12.819 0.815 -9.264 1.00 0.71 H new ATOM 0 HB3 LEU B 63 11.313 1.705 -9.379 1.00 0.71 H new ATOM 0 HG LEU B 63 10.968 -0.428 -7.475 1.00 0.64 H new ATOM 0 HD11 LEU B 63 12.645 0.262 -5.825 1.00 0.62 H new ATOM 0 HD12 LEU B 63 13.408 -0.402 -7.289 1.00 0.62 H new ATOM 0 HD13 LEU B 63 13.377 1.357 -7.022 1.00 0.62 H new ATOM 0 HD21 LEU B 63 10.443 1.450 -5.996 1.00 0.62 H new ATOM 0 HD22 LEU B 63 11.111 2.585 -7.193 1.00 0.62 H new ATOM 0 HD23 LEU B 63 9.660 1.631 -7.584 1.00 0.62 H new ATOM 1994 N LYS B 64 9.590 0.704 -11.535 1.00 0.87 N ATOM 1995 CA LYS B 64 8.275 1.095 -12.048 1.00 0.93 C ATOM 1996 C LYS B 64 7.564 -0.110 -12.677 1.00 0.97 C ATOM 1997 O LYS B 64 6.359 -0.087 -12.928 1.00 1.03 O ATOM 1998 CB LYS B 64 8.432 2.223 -13.074 1.00 1.02 C ATOM 1999 CG LYS B 64 7.115 2.800 -13.572 1.00 1.12 C ATOM 2000 CD LYS B 64 7.278 3.500 -14.914 1.00 1.30 C ATOM 2001 CE LYS B 64 7.535 2.506 -16.036 1.00 1.47 C ATOM 2002 NZ LYS B 64 7.590 3.171 -17.368 1.00 1.71 N ATOM 0 H LYS B 64 10.370 1.005 -12.119 1.00 0.87 H new ATOM 0 HA LYS B 64 7.665 1.455 -11.219 1.00 0.93 H new ATOM 0 HB2 LYS B 64 9.022 3.024 -12.629 1.00 1.02 H new ATOM 0 HB3 LYS B 64 8.997 1.847 -13.927 1.00 1.02 H new ATOM 0 HG2 LYS B 64 6.380 2.001 -13.666 1.00 1.12 H new ATOM 0 HG3 LYS B 64 6.727 3.506 -12.838 1.00 1.12 H new ATOM 0 HD2 LYS B 64 6.380 4.076 -15.136 1.00 1.30 H new ATOM 0 HD3 LYS B 64 8.105 4.208 -14.858 1.00 1.30 H new ATOM 0 HE2 LYS B 64 8.475 1.986 -15.851 1.00 1.47 H new ATOM 0 HE3 LYS B 64 6.748 1.752 -16.039 1.00 1.47 H new ATOM 0 HZ1 LYS B 64 7.767 2.459 -18.105 1.00 1.71 H new ATOM 0 HZ2 LYS B 64 6.684 3.646 -17.556 1.00 1.71 H new ATOM 0 HZ3 LYS B 64 8.357 3.873 -17.374 1.00 1.71 H new ATOM 2016 N LYS B 65 8.335 -1.159 -12.931 1.00 0.98 N ATOM 2017 CA LYS B 65 7.819 -2.409 -13.514 1.00 1.04 C ATOM 2018 C LYS B 65 7.150 -3.321 -12.482 1.00 1.02 C ATOM 2019 O LYS B 65 5.952 -3.585 -12.569 1.00 1.07 O ATOM 2020 CB LYS B 65 8.959 -3.163 -14.190 1.00 1.07 C ATOM 2021 CG LYS B 65 9.517 -2.384 -15.380 1.00 1.14 C ATOM 2022 CD LYS B 65 10.579 -3.202 -16.118 1.00 1.20 C ATOM 2023 CE LYS B 65 10.005 -4.465 -16.776 1.00 1.27 C ATOM 2024 NZ LYS B 65 9.010 -4.137 -17.806 1.00 1.36 N ATOM 0 H LYS B 65 9.337 -1.176 -12.742 1.00 0.98 H new ATOM 0 HA LYS B 65 7.054 -2.130 -14.239 1.00 1.04 H new ATOM 0 HB2 LYS B 65 9.755 -3.345 -13.468 1.00 1.07 H new ATOM 0 HB3 LYS B 65 8.604 -4.137 -14.526 1.00 1.07 H new ATOM 0 HG2 LYS B 65 8.708 -2.129 -16.064 1.00 1.14 H new ATOM 0 HG3 LYS B 65 9.950 -1.445 -15.035 1.00 1.14 H new ATOM 0 HD2 LYS B 65 11.045 -2.579 -16.882 1.00 1.20 H new ATOM 0 HD3 LYS B 65 11.364 -3.487 -15.417 1.00 1.20 H new ATOM 0 HE2 LYS B 65 10.814 -5.042 -17.223 1.00 1.27 H new ATOM 0 HE3 LYS B 65 9.546 -5.096 -16.014 1.00 1.27 H new ATOM 0 HZ1 LYS B 65 8.783 -4.991 -18.354 1.00 1.36 H new ATOM 0 HZ2 LYS B 65 8.146 -3.777 -17.352 1.00 1.36 H new ATOM 0 HZ3 LYS B 65 9.396 -3.410 -18.442 1.00 1.36 H new ATOM 2038 N VAL B 66 7.909 -3.656 -11.438 1.00 0.96 N ATOM 2039 CA VAL B 66 7.413 -4.495 -10.354 1.00 0.95 C ATOM 2040 C VAL B 66 6.187 -3.866 -9.674 1.00 0.95 C ATOM 2041 O VAL B 66 5.348 -4.583 -9.127 1.00 0.97 O ATOM 2042 CB VAL B 66 8.511 -4.768 -9.299 1.00 0.92 C ATOM 2043 CG1 VAL B 66 9.682 -5.506 -9.929 1.00 0.93 C ATOM 2044 CG2 VAL B 66 8.986 -3.477 -8.649 1.00 0.91 C ATOM 0 H VAL B 66 8.877 -3.355 -11.323 1.00 0.96 H new ATOM 0 HA VAL B 66 7.117 -5.444 -10.801 1.00 0.95 H new ATOM 0 HB VAL B 66 8.078 -5.396 -8.521 1.00 0.92 H new ATOM 0 HG11 VAL B 66 10.445 -5.690 -9.173 1.00 0.93 H new ATOM 0 HG12 VAL B 66 9.337 -6.457 -10.335 1.00 0.93 H new ATOM 0 HG13 VAL B 66 10.104 -4.901 -10.731 1.00 0.93 H new ATOM 0 HG21 VAL B 66 9.757 -3.703 -7.913 1.00 0.91 H new ATOM 0 HG22 VAL B 66 9.395 -2.815 -9.412 1.00 0.91 H new ATOM 0 HG23 VAL B 66 8.146 -2.987 -8.156 1.00 0.91 H new ATOM 2054 N ILE B 67 6.077 -2.528 -9.712 1.00 0.95 N ATOM 2055 CA ILE B 67 4.926 -1.851 -9.112 1.00 0.97 C ATOM 2056 C ILE B 67 3.723 -1.917 -10.049 1.00 1.02 C ATOM 2057 O ILE B 67 2.580 -1.852 -9.601 1.00 1.08 O ATOM 2058 CB ILE B 67 5.206 -0.380 -8.722 1.00 0.99 C ATOM 2059 CG1 ILE B 67 5.524 0.465 -9.955 1.00 1.00 C ATOM 2060 CG2 ILE B 67 6.340 -0.310 -7.707 1.00 0.98 C ATOM 2061 CD1 ILE B 67 5.602 1.951 -9.673 1.00 1.07 C ATOM 0 H ILE B 67 6.760 -1.907 -10.145 1.00 0.95 H new ATOM 0 HA ILE B 67 4.711 -2.385 -8.186 1.00 0.97 H new ATOM 0 HB ILE B 67 4.306 0.030 -8.264 1.00 0.99 H new ATOM 0 HG12 ILE B 67 6.473 0.134 -10.376 1.00 1.00 H new ATOM 0 HG13 ILE B 67 4.760 0.288 -10.712 1.00 1.00 H new ATOM 0 HG21 ILE B 67 6.527 0.730 -7.441 1.00 0.98 H new ATOM 0 HG22 ILE B 67 6.063 -0.869 -6.813 1.00 0.98 H new ATOM 0 HG23 ILE B 67 7.243 -0.742 -8.140 1.00 0.98 H new ATOM 0 HD11 ILE B 67 5.831 2.485 -10.595 1.00 1.07 H new ATOM 0 HD12 ILE B 67 4.646 2.298 -9.281 1.00 1.07 H new ATOM 0 HD13 ILE B 67 6.385 2.141 -8.939 1.00 1.07 H new ATOM 2073 N GLN B 68 3.979 -2.021 -11.356 1.00 1.04 N ATOM 2074 CA GLN B 68 2.876 -2.168 -12.323 1.00 1.12 C ATOM 2075 C GLN B 68 2.228 -3.556 -12.191 1.00 1.11 C ATOM 2076 O GLN B 68 1.005 -3.671 -12.142 1.00 1.15 O ATOM 2077 CB GLN B 68 3.405 -1.973 -13.737 1.00 1.19 C ATOM 2078 CG GLN B 68 2.260 -1.937 -14.740 1.00 1.30 C ATOM 2079 CD GLN B 68 2.799 -1.756 -16.154 1.00 1.39 C ATOM 2080 OE1 GLN B 68 3.926 -2.083 -16.494 1.00 1.39 O ATOM 2081 NE2 GLN B 68 1.938 -1.248 -17.002 1.00 1.52 N ATOM 0 H GLN B 68 4.913 -2.007 -11.766 1.00 1.04 H new ATOM 0 HA GLN B 68 2.120 -1.411 -12.113 1.00 1.12 H new ATOM 0 HB2 GLN B 68 3.973 -1.045 -13.793 1.00 1.19 H new ATOM 0 HB3 GLN B 68 4.090 -2.782 -13.989 1.00 1.19 H new ATOM 0 HG2 GLN B 68 1.685 -2.861 -14.679 1.00 1.30 H new ATOM 0 HG3 GLN B 68 1.580 -1.121 -14.496 1.00 1.30 H new ATOM 0 HE21 GLN B 68 1.005 -0.985 -16.685 1.00 1.52 H new ATOM 0 HE22 GLN B 68 2.201 -1.115 -17.978 1.00 1.52 H new ATOM 2090 N LYS B 69 3.067 -4.585 -12.061 1.00 1.10 N ATOM 2091 CA LYS B 69 2.604 -5.971 -11.951 1.00 1.13 C ATOM 2092 C LYS B 69 1.775 -6.245 -10.689 1.00 1.15 C ATOM 2093 O LYS B 69 0.907 -7.116 -10.707 1.00 1.23 O ATOM 2094 CB LYS B 69 3.797 -6.927 -11.982 1.00 1.11 C ATOM 2095 CG LYS B 69 4.397 -7.120 -13.364 1.00 1.16 C ATOM 2096 CD LYS B 69 5.513 -8.151 -13.341 1.00 1.24 C ATOM 2097 CE LYS B 69 6.012 -8.472 -14.740 1.00 1.40 C ATOM 2098 NZ LYS B 69 7.030 -9.559 -14.730 1.00 1.61 N ATOM 0 H LYS B 69 4.081 -4.483 -12.029 1.00 1.10 H new ATOM 0 HA LYS B 69 1.950 -6.138 -12.807 1.00 1.13 H new ATOM 0 HB2 LYS B 69 4.569 -6.550 -11.311 1.00 1.11 H new ATOM 0 HB3 LYS B 69 3.483 -7.896 -11.595 1.00 1.11 H new ATOM 0 HG2 LYS B 69 3.620 -7.437 -14.059 1.00 1.16 H new ATOM 0 HG3 LYS B 69 4.784 -6.169 -13.731 1.00 1.16 H new ATOM 0 HD2 LYS B 69 6.340 -7.778 -12.736 1.00 1.24 H new ATOM 0 HD3 LYS B 69 5.155 -9.064 -12.864 1.00 1.24 H new ATOM 0 HE2 LYS B 69 5.171 -8.768 -15.367 1.00 1.40 H new ATOM 0 HE3 LYS B 69 6.442 -7.576 -15.187 1.00 1.40 H new ATOM 0 HZ1 LYS B 69 7.345 -9.748 -15.703 1.00 1.61 H new ATOM 0 HZ2 LYS B 69 7.844 -9.267 -14.153 1.00 1.61 H new ATOM 0 HZ3 LYS B 69 6.612 -10.422 -14.327 1.00 1.61 H new ATOM 2112 N ILE B 70 2.035 -5.524 -9.596 1.00 1.14 N ATOM 2113 CA ILE B 70 1.282 -5.749 -8.353 1.00 1.20 C ATOM 2114 C ILE B 70 -0.102 -5.098 -8.397 1.00 1.31 C ATOM 2115 O ILE B 70 -0.943 -5.351 -7.535 1.00 1.43 O ATOM 2116 CB ILE B 70 2.038 -5.250 -7.101 1.00 1.18 C ATOM 2117 CG1 ILE B 70 2.404 -3.769 -7.236 1.00 1.17 C ATOM 2118 CG2 ILE B 70 3.280 -6.092 -6.859 1.00 1.29 C ATOM 2119 CD1 ILE B 70 3.238 -3.239 -6.089 1.00 1.30 C ATOM 0 H ILE B 70 2.745 -4.794 -9.542 1.00 1.14 H new ATOM 0 HA ILE B 70 1.166 -6.830 -8.276 1.00 1.20 H new ATOM 0 HB ILE B 70 1.378 -5.355 -6.240 1.00 1.18 H new ATOM 0 HG12 ILE B 70 2.950 -3.623 -8.168 1.00 1.17 H new ATOM 0 HG13 ILE B 70 1.488 -3.183 -7.308 1.00 1.17 H new ATOM 0 HG21 ILE B 70 3.800 -5.727 -5.974 1.00 1.29 H new ATOM 0 HG22 ILE B 70 2.991 -7.132 -6.707 1.00 1.29 H new ATOM 0 HG23 ILE B 70 3.941 -6.022 -7.723 1.00 1.29 H new ATOM 0 HD11 ILE B 70 3.457 -2.184 -6.256 1.00 1.30 H new ATOM 0 HD12 ILE B 70 2.687 -3.352 -5.156 1.00 1.30 H new ATOM 0 HD13 ILE B 70 4.171 -3.799 -6.029 1.00 1.30 H new