USER MOD reduce.3.24.130724 H: found=0, std=0, add=1046, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 1046 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 29 ASN : amide:sc= -0.216 X(o=-0.21,f=0) USER MOD Set 1.2: B 31 GLN : amide:sc= 0.0108 X(o=-0.21,f=0) USER MOD Set 2.1: A 29 ASN : amide:sc= -0.0806 X(o=-0.081,f=-0.1) USER MOD Set 2.2: A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.518 K(o=-0.52,f=-4.3!) USER MOD Single : A 18 THR OG1 : rot -134:sc= -2.57! USER MOD Single : A 19 THR OG1 : rot 93:sc= 0.289 USER MOD Single : A 20 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.9!) USER MOD Single : A 23 HIS : no HD1:sc= -3.58! 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 -140:sc= -0.0201 (180deg=-0.587) USER MOD Single : A 28 SER OG : rot -150:sc=-0.00186 USER MOD Single : A 31 GLN : amide:sc= -0.0362 X(o=-0.036,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.0854 X(o=-0.085,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 164:sc= -0.052 (180deg=-0.316) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 169:sc= -0.0111 (180deg=-0.161) USER MOD Single : A 68 GLN : amide:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 GLN : amide:sc= -0.522 K(o=-0.52,f=-4.2!) USER MOD Single : B 18 THR OG1 : rot 43:sc= -3.16! USER MOD Single : B 19 THR OG1 : rot 92:sc= 0.306 USER MOD Single : B 20 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.9!) USER MOD Single : B 23 HIS : no HD1:sc= -3.7! C(o=-3.7!,f=-14!) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 28 SER OG : rot -160:sc= 0 USER MOD Single : B 38 GLN : amide:sc=-0.00409 X(o=-0.0041,f=0) USER MOD Single : B 40 SER OG : rot -53:sc= 0.186 USER MOD Single : B 41 LYS NZ :NH3+ 160:sc= 0.14 (180deg=0.0502) USER MOD Single : B 47 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ -178:sc= -0.575 (180deg=-0.586) USER MOD Single : B 50 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ 168:sc= -0.0043 (180deg=-0.149) USER MOD Single : B 68 GLN : amide:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -6.312 -18.662 14.769 1.00 0.81 N ATOM 2 CA LEU A 8 -6.902 -19.139 13.498 1.00 0.78 C ATOM 3 C LEU A 8 -8.350 -19.627 13.736 1.00 0.78 C ATOM 4 O LEU A 8 -8.620 -20.786 14.041 1.00 0.80 O ATOM 5 CB LEU A 8 -6.005 -20.238 12.903 1.00 0.80 C ATOM 6 CG LEU A 8 -6.393 -20.731 11.494 1.00 0.78 C ATOM 7 CD1 LEU A 8 -5.160 -21.336 10.825 1.00 0.80 C ATOM 8 CD2 LEU A 8 -7.461 -21.828 11.503 1.00 0.78 C ATOM 0 HA LEU A 8 -6.954 -18.323 12.777 1.00 0.78 H new ATOM 0 HB2 LEU A 8 -4.981 -19.866 12.868 1.00 0.80 H new ATOM 0 HB3 LEU A 8 -6.011 -21.092 13.581 1.00 0.80 H new ATOM 0 HG LEU A 8 -6.788 -19.863 10.967 1.00 0.78 H new ATOM 0 HD11 LEU A 8 -5.423 -21.688 9.828 1.00 0.80 H new ATOM 0 HD12 LEU A 8 -4.379 -20.579 10.748 1.00 0.80 H new ATOM 0 HD13 LEU A 8 -4.797 -22.173 11.421 1.00 0.80 H new ATOM 0 HD21 LEU A 8 -7.685 -22.126 10.479 1.00 0.78 H new ATOM 0 HD22 LEU A 8 -7.093 -22.690 12.060 1.00 0.78 H new ATOM 0 HD23 LEU A 8 -8.367 -21.450 11.977 1.00 0.78 H new ATOM 20 N ARG A 9 -9.228 -18.641 13.817 1.00 0.76 N ATOM 21 CA ARG A 9 -10.662 -18.903 14.045 1.00 0.76 C ATOM 22 C ARG A 9 -11.534 -18.124 13.060 1.00 0.72 C ATOM 23 O ARG A 9 -12.195 -18.709 12.206 1.00 0.71 O ATOM 24 CB ARG A 9 -11.058 -18.677 15.516 1.00 0.79 C ATOM 25 CG ARG A 9 -10.766 -17.266 16.037 1.00 0.78 C ATOM 26 CD ARG A 9 -11.367 -17.036 17.420 1.00 0.82 C ATOM 27 NE ARG A 9 -11.133 -15.637 17.827 1.00 0.81 N ATOM 28 CZ ARG A 9 -9.983 -15.109 18.255 1.00 0.83 C ATOM 29 NH1 ARG A 9 -8.874 -15.836 18.351 1.00 0.84 N ATOM 30 NH2 ARG A 9 -9.943 -13.841 18.640 1.00 0.83 N ATOM 0 H ARG A 9 -8.987 -17.654 13.730 1.00 0.76 H new ATOM 0 HA ARG A 9 -10.845 -19.959 13.847 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -12.123 -18.880 15.629 1.00 0.79 H new ATOM 0 HB3 ARG A 9 -10.528 -19.398 16.138 1.00 0.79 H new ATOM 0 HG2 ARG A 9 -9.688 -17.110 16.079 1.00 0.78 H new ATOM 0 HG3 ARG A 9 -11.168 -16.531 15.340 1.00 0.78 H new ATOM 0 HD2 ARG A 9 -12.436 -17.248 17.404 1.00 0.82 H new ATOM 0 HD3 ARG A 9 -10.917 -17.717 18.142 1.00 0.82 H new ATOM 0 HE ARG A 9 -11.934 -15.007 17.776 1.00 0.81 H new ATOM 0 HH11 ARG A 9 -8.888 -16.823 18.095 1.00 0.84 H new ATOM 0 HH12 ARG A 9 -8.010 -15.407 18.681 1.00 0.84 H new ATOM 0 HH21 ARG A 9 -10.789 -13.272 18.609 1.00 0.83 H new ATOM 0 HH22 ARG A 9 -9.066 -13.435 18.967 1.00 0.83 H new ATOM 44 N GLU A 10 -11.485 -16.794 13.171 1.00 0.70 N ATOM 45 CA GLU A 10 -12.342 -15.875 12.415 1.00 0.67 C ATOM 46 C GLU A 10 -11.644 -14.527 12.226 1.00 0.65 C ATOM 47 O GLU A 10 -11.261 -13.870 13.194 1.00 0.67 O ATOM 48 CB GLU A 10 -13.656 -15.642 13.168 1.00 0.69 C ATOM 49 CG GLU A 10 -14.509 -16.912 13.278 1.00 0.71 C ATOM 50 CD GLU A 10 -15.852 -16.688 13.974 1.00 0.73 C ATOM 51 OE1 GLU A 10 -16.363 -15.546 13.898 1.00 0.72 O ATOM 52 OE2 GLU A 10 -16.353 -17.674 14.550 1.00 0.76 O ATOM 0 H GLU A 10 -10.838 -16.317 13.799 1.00 0.70 H new ATOM 0 HA GLU A 10 -12.544 -16.323 11.442 1.00 0.67 H new ATOM 0 HB2 GLU A 10 -13.435 -15.270 14.168 1.00 0.69 H new ATOM 0 HB3 GLU A 10 -14.229 -14.867 12.659 1.00 0.69 H new ATOM 0 HG2 GLU A 10 -14.689 -17.307 12.278 1.00 0.71 H new ATOM 0 HG3 GLU A 10 -13.948 -17.670 13.824 1.00 0.71 H new ATOM 59 N LEU A 11 -11.368 -14.242 10.967 1.00 0.62 N ATOM 60 CA LEU A 11 -10.719 -12.984 10.560 1.00 0.60 C ATOM 61 C LEU A 11 -11.554 -12.281 9.488 1.00 0.57 C ATOM 62 O LEU A 11 -12.097 -12.918 8.584 1.00 0.56 O ATOM 63 CB LEU A 11 -9.320 -13.285 10.024 1.00 0.60 C ATOM 64 CG LEU A 11 -8.422 -13.879 11.109 1.00 0.63 C ATOM 65 CD1 LEU A 11 -7.838 -15.210 10.632 1.00 0.65 C ATOM 66 CD2 LEU A 11 -7.319 -12.892 11.484 1.00 0.64 C ATOM 0 H LEU A 11 -11.582 -14.867 10.190 1.00 0.62 H new ATOM 0 HA LEU A 11 -10.640 -12.324 11.424 1.00 0.60 H new ATOM 0 HB2 LEU A 11 -9.391 -13.980 9.188 1.00 0.60 H new ATOM 0 HB3 LEU A 11 -8.871 -12.369 9.640 1.00 0.60 H new ATOM 0 HG LEU A 11 -9.017 -14.069 12.002 1.00 0.63 H new ATOM 0 HD11 LEU A 11 -7.199 -15.627 11.411 1.00 0.65 H new ATOM 0 HD12 LEU A 11 -8.648 -15.906 10.416 1.00 0.65 H new ATOM 0 HD13 LEU A 11 -7.250 -15.046 9.729 1.00 0.65 H new ATOM 0 HD21 LEU A 11 -6.688 -13.329 12.258 1.00 0.64 H new ATOM 0 HD22 LEU A 11 -6.715 -12.670 10.604 1.00 0.64 H new ATOM 0 HD23 LEU A 11 -7.766 -11.971 11.858 1.00 0.64 H new ATOM 78 N ARG A 12 -11.614 -10.969 9.628 1.00 0.56 N ATOM 79 CA ARG A 12 -12.435 -10.113 8.752 1.00 0.54 C ATOM 80 C ARG A 12 -11.506 -9.366 7.802 1.00 0.51 C ATOM 81 O ARG A 12 -10.386 -9.007 8.173 1.00 0.51 O ATOM 82 CB ARG A 12 -13.215 -9.095 9.604 1.00 0.55 C ATOM 83 CG ARG A 12 -13.881 -9.678 10.861 1.00 0.59 C ATOM 84 CD ARG A 12 -14.714 -10.916 10.527 1.00 0.59 C ATOM 85 NE ARG A 12 -15.462 -11.393 11.690 1.00 0.63 N ATOM 86 CZ ARG A 12 -16.776 -11.247 11.766 1.00 0.65 C ATOM 87 NH1 ARG A 12 -17.304 -10.097 12.160 1.00 0.66 N ATOM 88 NH2 ARG A 12 -17.558 -12.288 11.542 1.00 0.66 N ATOM 0 H ARG A 12 -11.102 -10.456 10.346 1.00 0.56 H new ATOM 0 HA ARG A 12 -13.142 -10.724 8.191 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -12.534 -8.300 9.907 1.00 0.55 H new ATOM 0 HB3 ARG A 12 -13.984 -8.637 8.982 1.00 0.55 H new ATOM 0 HG2 ARG A 12 -13.116 -9.939 11.592 1.00 0.59 H new ATOM 0 HG3 ARG A 12 -14.518 -8.922 11.321 1.00 0.59 H new ATOM 0 HD2 ARG A 12 -15.407 -10.681 9.719 1.00 0.59 H new ATOM 0 HD3 ARG A 12 -14.059 -11.709 10.165 1.00 0.59 H new ATOM 0 HE ARG A 12 -14.963 -11.846 12.456 1.00 0.63 H new ATOM 0 HH11 ARG A 12 -16.697 -9.315 12.408 1.00 0.66 H new ATOM 0 HH12 ARG A 12 -18.317 -9.993 12.216 1.00 0.66 H new ATOM 0 HH21 ARG A 12 -17.148 -13.194 11.313 1.00 0.66 H new ATOM 0 HH22 ARG A 12 -18.571 -12.186 11.598 1.00 0.66 H new ATOM 102 N CYS A 13 -11.985 -9.126 6.584 1.00 0.49 N ATOM 103 CA CYS A 13 -11.258 -8.285 5.618 1.00 0.47 C ATOM 104 C CYS A 13 -10.957 -6.912 6.244 1.00 0.47 C ATOM 105 O CYS A 13 -11.694 -6.439 7.109 1.00 0.48 O ATOM 106 CB CYS A 13 -12.112 -8.100 4.364 1.00 0.47 C ATOM 107 SG CYS A 13 -12.159 -9.558 3.258 1.00 0.48 S ATOM 0 H CYS A 13 -12.869 -9.497 6.237 1.00 0.49 H new ATOM 0 HA CYS A 13 -10.319 -8.770 5.352 1.00 0.47 H new ATOM 0 HB2 CYS A 13 -13.130 -7.855 4.666 1.00 0.47 H new ATOM 0 HB3 CYS A 13 -11.732 -7.246 3.803 1.00 0.47 H new ATOM 112 N VAL A 14 -9.864 -6.298 5.797 1.00 0.45 N ATOM 113 CA VAL A 14 -9.482 -4.944 6.277 1.00 0.45 C ATOM 114 C VAL A 14 -10.578 -3.902 5.967 1.00 0.44 C ATOM 115 O VAL A 14 -10.765 -2.927 6.690 1.00 0.45 O ATOM 116 CB VAL A 14 -8.079 -4.537 5.764 1.00 0.44 C ATOM 117 CG1 VAL A 14 -7.962 -4.354 4.248 1.00 0.43 C ATOM 118 CG2 VAL A 14 -7.569 -3.268 6.451 1.00 0.45 C ATOM 0 H VAL A 14 -9.225 -6.699 5.111 1.00 0.45 H new ATOM 0 HA VAL A 14 -9.405 -4.978 7.364 1.00 0.45 H new ATOM 0 HB VAL A 14 -7.458 -5.394 6.026 1.00 0.44 H new ATOM 0 HG11 VAL A 14 -6.941 -4.070 3.994 1.00 0.43 H new ATOM 0 HG12 VAL A 14 -8.214 -5.289 3.748 1.00 0.43 H new ATOM 0 HG13 VAL A 14 -8.648 -3.572 3.922 1.00 0.43 H new ATOM 0 HG21 VAL A 14 -6.582 -3.016 6.063 1.00 0.45 H new ATOM 0 HG22 VAL A 14 -8.257 -2.446 6.254 1.00 0.45 H new ATOM 0 HG23 VAL A 14 -7.504 -3.437 7.526 1.00 0.45 H new ATOM 128 N CYS A 15 -11.278 -4.146 4.864 1.00 0.44 N ATOM 129 CA CYS A 15 -12.387 -3.314 4.371 1.00 0.44 C ATOM 130 C CYS A 15 -13.689 -4.105 4.310 1.00 0.46 C ATOM 131 O CYS A 15 -13.853 -4.989 3.470 1.00 0.46 O ATOM 132 CB CYS A 15 -12.075 -2.819 2.963 1.00 0.43 C ATOM 133 SG CYS A 15 -10.812 -1.516 2.939 1.00 0.42 S ATOM 0 H CYS A 15 -11.089 -4.950 4.266 1.00 0.44 H new ATOM 0 HA CYS A 15 -12.502 -2.479 5.062 1.00 0.44 H new ATOM 0 HB2 CYS A 15 -11.737 -3.658 2.355 1.00 0.43 H new ATOM 0 HB3 CYS A 15 -12.989 -2.441 2.505 1.00 0.43 H new ATOM 138 N LEU A 16 -14.549 -3.829 5.282 1.00 0.48 N ATOM 139 CA LEU A 16 -15.899 -4.427 5.310 1.00 0.51 C ATOM 140 C LEU A 16 -16.919 -3.692 4.425 1.00 0.53 C ATOM 141 O LEU A 16 -17.803 -4.312 3.827 1.00 0.55 O ATOM 142 CB LEU A 16 -16.408 -4.536 6.752 1.00 0.54 C ATOM 143 CG LEU A 16 -15.580 -5.516 7.598 1.00 0.53 C ATOM 144 CD1 LEU A 16 -16.101 -5.515 9.036 1.00 0.57 C ATOM 145 CD2 LEU A 16 -15.621 -6.943 7.032 1.00 0.53 C ATOM 0 H LEU A 16 -14.348 -3.201 6.061 1.00 0.48 H new ATOM 0 HA LEU A 16 -15.799 -5.426 4.884 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -16.385 -3.551 7.217 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -17.449 -4.859 6.743 1.00 0.54 H new ATOM 0 HG LEU A 16 -14.542 -5.183 7.574 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -15.514 -6.210 9.636 1.00 0.57 H new ATOM 0 HD12 LEU A 16 -16.014 -4.512 9.454 1.00 0.57 H new ATOM 0 HD13 LEU A 16 -17.147 -5.822 9.044 1.00 0.57 H new ATOM 0 HD21 LEU A 16 -15.022 -7.601 7.661 1.00 0.53 H new ATOM 0 HD22 LEU A 16 -16.652 -7.297 7.013 1.00 0.53 H new ATOM 0 HD23 LEU A 16 -15.218 -6.944 6.019 1.00 0.53 H new ATOM 157 N GLN A 17 -16.756 -2.391 4.327 1.00 0.53 N ATOM 158 CA GLN A 17 -17.623 -1.493 3.554 1.00 0.55 C ATOM 159 C GLN A 17 -16.854 -0.932 2.344 1.00 0.53 C ATOM 160 O GLN A 17 -15.676 -1.215 2.133 1.00 0.50 O ATOM 161 CB GLN A 17 -18.167 -0.365 4.452 1.00 0.57 C ATOM 162 CG GLN A 17 -17.140 0.679 4.924 1.00 0.56 C ATOM 163 CD GLN A 17 -16.114 0.174 5.948 1.00 0.54 C ATOM 164 OE1 GLN A 17 -16.128 -0.920 6.487 1.00 0.54 O ATOM 165 NE2 GLN A 17 -15.168 1.019 6.271 1.00 0.53 N ATOM 0 H GLN A 17 -15.994 -1.901 4.795 1.00 0.53 H new ATOM 0 HA GLN A 17 -18.478 -2.055 3.179 1.00 0.55 H new ATOM 0 HB2 GLN A 17 -18.959 0.153 3.911 1.00 0.57 H new ATOM 0 HB3 GLN A 17 -18.625 -0.817 5.331 1.00 0.57 H new ATOM 0 HG2 GLN A 17 -16.604 1.057 4.053 1.00 0.56 H new ATOM 0 HG3 GLN A 17 -17.677 1.522 5.358 1.00 0.56 H new ATOM 0 HE21 GLN A 17 -15.136 1.940 5.834 1.00 0.53 H new ATOM 0 HE22 GLN A 17 -14.463 0.757 6.960 1.00 0.53 H new ATOM 174 N THR A 18 -17.559 -0.090 1.609 1.00 0.56 N ATOM 175 CA THR A 18 -17.022 0.591 0.419 1.00 0.55 C ATOM 176 C THR A 18 -17.261 2.109 0.487 1.00 0.57 C ATOM 177 O THR A 18 -17.781 2.635 1.474 1.00 0.58 O ATOM 178 CB THR A 18 -17.640 -0.071 -0.825 1.00 0.57 C ATOM 179 OG1 THR A 18 -17.016 0.474 -1.983 1.00 0.57 O ATOM 180 CG2 THR A 18 -19.166 0.084 -0.920 1.00 0.62 C ATOM 0 H THR A 18 -18.529 0.150 1.814 1.00 0.56 H new ATOM 0 HA THR A 18 -15.939 0.480 0.367 1.00 0.55 H new ATOM 0 HB THR A 18 -17.460 -1.143 -0.747 1.00 0.57 H new ATOM 0 HG1 THR A 18 -17.700 0.702 -2.647 1.00 0.57 H new ATOM 0 HG21 THR A 18 -19.526 -0.409 -1.823 1.00 0.62 H new ATOM 0 HG22 THR A 18 -19.633 -0.372 -0.047 1.00 0.62 H new ATOM 0 HG23 THR A 18 -19.423 1.143 -0.958 1.00 0.62 H new ATOM 188 N THR A 19 -16.968 2.789 -0.616 1.00 0.57 N ATOM 189 CA THR A 19 -17.113 4.242 -0.795 1.00 0.59 C ATOM 190 C THR A 19 -17.214 4.585 -2.292 1.00 0.61 C ATOM 191 O THR A 19 -16.699 3.873 -3.163 1.00 0.60 O ATOM 192 CB THR A 19 -15.918 4.972 -0.142 1.00 0.56 C ATOM 193 OG1 THR A 19 -15.854 4.642 1.250 1.00 0.55 O ATOM 194 CG2 THR A 19 -15.988 6.498 -0.250 1.00 0.58 C ATOM 0 H THR A 19 -16.606 2.328 -1.451 1.00 0.57 H new ATOM 0 HA THR A 19 -18.030 4.574 -0.308 1.00 0.59 H new ATOM 0 HB THR A 19 -15.036 4.638 -0.688 1.00 0.56 H new ATOM 0 HG1 THR A 19 -15.261 3.872 1.377 1.00 0.55 H new ATOM 0 HG21 THR A 19 -15.114 6.937 0.232 1.00 0.58 H new ATOM 0 HG22 THR A 19 -16.007 6.788 -1.301 1.00 0.58 H new ATOM 0 HG23 THR A 19 -16.892 6.856 0.242 1.00 0.58 H new ATOM 202 N GLN A 20 -17.896 5.693 -2.540 1.00 0.65 N ATOM 203 CA GLN A 20 -18.101 6.289 -3.863 1.00 0.68 C ATOM 204 C GLN A 20 -17.716 7.772 -3.893 1.00 0.68 C ATOM 205 O GLN A 20 -18.540 8.688 -3.913 1.00 0.72 O ATOM 206 CB GLN A 20 -19.535 6.041 -4.371 1.00 0.72 C ATOM 207 CG GLN A 20 -20.686 6.690 -3.594 1.00 0.75 C ATOM 208 CD GLN A 20 -20.877 6.191 -2.159 1.00 0.74 C ATOM 209 OE1 GLN A 20 -20.390 5.175 -1.687 1.00 0.71 O ATOM 210 NE2 GLN A 20 -21.680 6.912 -1.420 1.00 0.76 N ATOM 0 H GLN A 20 -18.343 6.229 -1.796 1.00 0.65 H new ATOM 0 HA GLN A 20 -17.426 5.788 -4.556 1.00 0.68 H new ATOM 0 HB2 GLN A 20 -19.590 6.386 -5.403 1.00 0.72 H new ATOM 0 HB3 GLN A 20 -19.705 4.964 -4.386 1.00 0.72 H new ATOM 0 HG2 GLN A 20 -20.521 7.767 -3.567 1.00 0.75 H new ATOM 0 HG3 GLN A 20 -21.612 6.523 -4.144 1.00 0.75 H new ATOM 0 HE21 GLN A 20 -22.095 7.763 -1.799 1.00 0.76 H new ATOM 0 HE22 GLN A 20 -21.891 6.623 -0.465 1.00 0.76 H new ATOM 219 N GLY A 21 -16.402 7.976 -3.840 1.00 0.65 N ATOM 220 CA GLY A 21 -15.870 9.329 -3.983 1.00 0.65 C ATOM 221 C GLY A 21 -15.725 9.709 -5.471 1.00 0.68 C ATOM 222 O GLY A 21 -15.931 8.854 -6.324 1.00 0.69 O ATOM 0 H GLY A 21 -15.703 7.246 -3.703 1.00 0.65 H new ATOM 0 HA2 GLY A 21 -16.531 10.038 -3.485 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -14.900 9.397 -3.490 1.00 0.65 H new ATOM 226 N VAL A 22 -15.213 10.872 -5.857 1.00 0.69 N ATOM 227 CA VAL A 22 -14.530 12.023 -5.193 1.00 0.68 C ATOM 228 C VAL A 22 -13.364 12.431 -6.118 1.00 0.67 C ATOM 229 O VAL A 22 -13.205 11.880 -7.204 1.00 0.68 O ATOM 230 CB VAL A 22 -14.038 11.788 -3.735 1.00 0.64 C ATOM 231 CG1 VAL A 22 -12.835 10.837 -3.598 1.00 0.60 C ATOM 232 CG2 VAL A 22 -13.861 13.087 -2.938 1.00 0.65 C ATOM 0 H VAL A 22 -15.274 11.086 -6.852 1.00 0.69 H new ATOM 0 HA VAL A 22 -15.269 12.813 -5.064 1.00 0.68 H new ATOM 0 HB VAL A 22 -14.863 11.248 -3.269 1.00 0.64 H new ATOM 0 HG11 VAL A 22 -12.568 10.738 -2.546 1.00 0.60 H new ATOM 0 HG12 VAL A 22 -13.097 9.858 -4.000 1.00 0.60 H new ATOM 0 HG13 VAL A 22 -11.987 11.241 -4.151 1.00 0.60 H new ATOM 0 HG21 VAL A 22 -13.517 12.852 -1.931 1.00 0.65 H new ATOM 0 HG22 VAL A 22 -13.126 13.721 -3.434 1.00 0.65 H new ATOM 0 HG23 VAL A 22 -14.814 13.612 -2.882 1.00 0.65 H new ATOM 242 N HIS A 23 -12.511 13.341 -5.664 1.00 0.66 N ATOM 243 CA HIS A 23 -11.309 13.725 -6.406 1.00 0.66 C ATOM 244 C HIS A 23 -10.047 13.374 -5.590 1.00 0.62 C ATOM 245 O HIS A 23 -10.042 13.564 -4.368 1.00 0.60 O ATOM 246 CB HIS A 23 -11.387 15.222 -6.733 1.00 0.69 C ATOM 247 CG HIS A 23 -10.316 15.638 -7.747 1.00 0.70 C ATOM 248 ND1 HIS A 23 -9.035 15.848 -7.463 1.00 0.68 N ATOM 249 CD2 HIS A 23 -10.490 15.888 -9.042 1.00 0.73 C ATOM 250 CE1 HIS A 23 -8.416 16.243 -8.571 1.00 0.70 C ATOM 251 NE2 HIS A 23 -9.316 16.267 -9.547 1.00 0.73 N ATOM 0 H HIS A 23 -12.628 13.833 -4.778 1.00 0.66 H new ATOM 0 HA HIS A 23 -11.247 13.171 -7.343 1.00 0.66 H new ATOM 0 HB2 HIS A 23 -12.375 15.457 -7.130 1.00 0.69 H new ATOM 0 HB3 HIS A 23 -11.266 15.801 -5.818 1.00 0.69 H new ATOM 0 HD2 HIS A 23 -11.418 15.800 -9.587 1.00 0.73 H new ATOM 0 HE1 HIS A 23 -7.370 16.498 -8.661 1.00 0.70 H new ATOM 0 HE2 HIS A 23 -9.139 16.530 -10.517 1.00 0.73 H new ATOM 259 N PRO A 24 -8.981 12.940 -6.285 1.00 0.61 N ATOM 260 CA PRO A 24 -7.649 12.673 -5.705 1.00 0.58 C ATOM 261 C PRO A 24 -7.119 13.841 -4.875 1.00 0.58 C ATOM 262 O PRO A 24 -6.261 13.632 -4.029 1.00 0.56 O ATOM 263 CB PRO A 24 -6.710 12.550 -6.898 1.00 0.60 C ATOM 264 CG PRO A 24 -7.603 12.011 -8.002 1.00 0.62 C ATOM 265 CD PRO A 24 -8.959 12.651 -7.735 1.00 0.64 C ATOM 0 HA PRO A 24 -7.712 11.795 -5.062 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -6.276 13.513 -7.168 1.00 0.60 H new ATOM 0 HB3 PRO A 24 -5.881 11.875 -6.687 1.00 0.60 H new ATOM 0 HG2 PRO A 24 -7.223 12.280 -8.988 1.00 0.62 H new ATOM 0 HG3 PRO A 24 -7.663 10.923 -7.970 1.00 0.62 H new ATOM 0 HD2 PRO A 24 -9.084 13.563 -8.319 1.00 0.64 H new ATOM 0 HD3 PRO A 24 -9.771 11.980 -8.014 1.00 0.64 H new ATOM 273 N LYS A 25 -7.633 15.045 -5.124 1.00 0.61 N ATOM 274 CA LYS A 25 -7.250 16.277 -4.420 1.00 0.61 C ATOM 275 C LYS A 25 -7.322 16.132 -2.890 1.00 0.59 C ATOM 276 O LYS A 25 -6.543 16.742 -2.170 1.00 0.59 O ATOM 277 CB LYS A 25 -8.177 17.402 -4.873 1.00 0.65 C ATOM 278 CG LYS A 25 -7.395 18.709 -4.996 1.00 0.67 C ATOM 279 CD LYS A 25 -8.262 19.877 -5.472 1.00 0.70 C ATOM 280 CE LYS A 25 -9.261 20.323 -4.402 1.00 0.71 C ATOM 281 NZ LYS A 25 -9.184 21.777 -4.226 1.00 0.74 N ATOM 0 H LYS A 25 -8.345 15.199 -5.838 1.00 0.61 H new ATOM 0 HA LYS A 25 -6.212 16.499 -4.668 1.00 0.61 H new ATOM 0 HB2 LYS A 25 -8.629 17.148 -5.832 1.00 0.65 H new ATOM 0 HB3 LYS A 25 -8.992 17.522 -4.159 1.00 0.65 H new ATOM 0 HG2 LYS A 25 -6.958 18.958 -4.029 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -6.569 18.568 -5.693 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -7.622 20.717 -5.743 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -8.802 19.584 -6.373 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -10.272 20.036 -4.692 1.00 0.71 H new ATOM 0 HE3 LYS A 25 -9.046 19.821 -3.459 1.00 0.71 H new ATOM 0 HZ1 LYS A 25 -9.864 22.075 -3.498 1.00 0.74 H new ATOM 0 HZ2 LYS A 25 -8.223 22.040 -3.930 1.00 0.74 H new ATOM 0 HZ3 LYS A 25 -9.410 22.248 -5.125 1.00 0.74 H new ATOM 295 N MET A 26 -8.220 15.256 -2.437 1.00 0.58 N ATOM 296 CA MET A 26 -8.373 14.917 -1.010 1.00 0.58 C ATOM 297 C MET A 26 -7.459 13.767 -0.550 1.00 0.54 C ATOM 298 O MET A 26 -7.220 13.580 0.645 1.00 0.54 O ATOM 299 CB MET A 26 -9.840 14.602 -0.706 1.00 0.59 C ATOM 300 CG MET A 26 -10.738 15.844 -0.814 1.00 0.67 C ATOM 301 SD MET A 26 -10.553 17.036 0.566 1.00 0.79 S ATOM 302 CE MET A 26 -9.485 18.267 -0.155 1.00 1.08 C ATOM 0 H MET A 26 -8.867 14.756 -3.047 1.00 0.58 H new ATOM 0 HA MET A 26 -8.058 15.792 -0.441 1.00 0.58 H new ATOM 0 HB2 MET A 26 -10.196 13.838 -1.397 1.00 0.59 H new ATOM 0 HB3 MET A 26 -9.919 14.185 0.298 1.00 0.59 H new ATOM 0 HG2 MET A 26 -10.519 16.355 -1.751 1.00 0.67 H new ATOM 0 HG3 MET A 26 -11.778 15.522 -0.863 1.00 0.67 H new ATOM 0 HE1 MET A 26 -8.756 18.595 0.586 1.00 1.08 H new ATOM 0 HE2 MET A 26 -8.964 17.840 -1.012 1.00 1.08 H new ATOM 0 HE3 MET A 26 -10.081 19.120 -0.481 1.00 1.08 H new ATOM 312 N ILE A 27 -6.948 12.992 -1.501 1.00 0.52 N ATOM 313 CA ILE A 27 -6.075 11.857 -1.186 1.00 0.50 C ATOM 314 C ILE A 27 -4.600 12.276 -1.185 1.00 0.51 C ATOM 315 O ILE A 27 -4.154 13.006 -2.068 1.00 0.58 O ATOM 316 CB ILE A 27 -6.270 10.700 -2.196 1.00 0.53 C ATOM 317 CG1 ILE A 27 -7.763 10.444 -2.452 1.00 0.56 C ATOM 318 CG2 ILE A 27 -5.586 9.431 -1.698 1.00 0.54 C ATOM 319 CD1 ILE A 27 -8.539 10.015 -1.222 1.00 0.57 C ATOM 0 H ILE A 27 -7.121 13.126 -2.497 1.00 0.52 H new ATOM 0 HA ILE A 27 -6.352 11.512 -0.190 1.00 0.50 H new ATOM 0 HB ILE A 27 -5.808 10.992 -3.139 1.00 0.53 H new ATOM 0 HG12 ILE A 27 -8.213 11.352 -2.853 1.00 0.56 H new ATOM 0 HG13 ILE A 27 -7.862 9.674 -3.217 1.00 0.56 H new ATOM 0 HG21 ILE A 27 -5.735 8.630 -2.422 1.00 0.54 H new ATOM 0 HG22 ILE A 27 -4.519 9.617 -1.576 1.00 0.54 H new ATOM 0 HG23 ILE A 27 -6.015 9.139 -0.740 1.00 0.54 H new ATOM 0 HD11 ILE A 27 -9.584 9.855 -1.488 1.00 0.57 H new ATOM 0 HD12 ILE A 27 -8.118 9.089 -0.831 1.00 0.57 H new ATOM 0 HD13 ILE A 27 -8.474 10.793 -0.461 1.00 0.57 H new ATOM 331 N SER A 28 -3.849 11.805 -0.185 1.00 0.49 N ATOM 332 CA SER A 28 -2.428 12.127 -0.069 1.00 0.54 C ATOM 333 C SER A 28 -1.626 10.904 0.384 1.00 0.55 C ATOM 334 O SER A 28 -0.450 11.014 0.733 1.00 0.69 O ATOM 335 CB SER A 28 -2.224 13.282 0.915 1.00 0.61 C ATOM 336 OG SER A 28 -2.854 14.466 0.456 1.00 0.69 O ATOM 0 H SER A 28 -4.204 11.199 0.555 1.00 0.49 H new ATOM 0 HA SER A 28 -2.067 12.430 -1.052 1.00 0.54 H new ATOM 0 HB2 SER A 28 -2.627 13.008 1.890 1.00 0.61 H new ATOM 0 HB3 SER A 28 -1.158 13.464 1.050 1.00 0.61 H new ATOM 0 HG SER A 28 -2.360 15.247 0.783 1.00 0.69 H new ATOM 342 N ASN A 29 -2.277 9.743 0.376 1.00 0.51 N ATOM 343 CA ASN A 29 -1.643 8.491 0.785 1.00 0.51 C ATOM 344 C ASN A 29 -2.439 7.300 0.254 1.00 0.50 C ATOM 345 O ASN A 29 -3.650 7.211 0.459 1.00 0.51 O ATOM 346 CB ASN A 29 -1.545 8.426 2.317 1.00 0.54 C ATOM 347 CG ASN A 29 -1.073 7.076 2.830 1.00 0.57 C ATOM 348 OD1 ASN A 29 0.123 6.820 2.926 1.00 0.64 O ATOM 349 ND2 ASN A 29 -2.019 6.208 3.173 1.00 0.78 N ATOM 0 H ASN A 29 -3.251 9.643 0.089 1.00 0.51 H new ATOM 0 HA ASN A 29 -0.637 8.452 0.368 1.00 0.51 H new ATOM 0 HB2 ASN A 29 -0.859 9.199 2.664 1.00 0.54 H new ATOM 0 HB3 ASN A 29 -2.521 8.650 2.747 1.00 0.54 H new ATOM 0 HD21 ASN A 29 -1.762 5.289 3.532 1.00 0.78 H new ATOM 0 HD22 ASN A 29 -3.002 6.461 3.077 1.00 0.78 H new ATOM 356 N LEU A 30 -1.755 6.392 -0.431 1.00 0.54 N ATOM 357 CA LEU A 30 -2.399 5.209 -0.990 1.00 0.56 C ATOM 358 C LEU A 30 -1.850 3.938 -0.347 1.00 0.57 C ATOM 359 O LEU A 30 -0.687 3.882 0.033 1.00 0.74 O ATOM 360 CB LEU A 30 -2.194 5.170 -2.509 1.00 0.60 C ATOM 361 CG LEU A 30 -2.859 3.995 -3.234 1.00 0.67 C ATOM 362 CD1 LEU A 30 -4.374 4.091 -3.139 1.00 0.69 C ATOM 363 CD2 LEU A 30 -2.417 3.953 -4.688 1.00 0.73 C ATOM 0 H LEU A 30 -0.753 6.452 -0.613 1.00 0.54 H new ATOM 0 HA LEU A 30 -3.467 5.262 -0.777 1.00 0.56 H new ATOM 0 HB2 LEU A 30 -2.575 6.099 -2.934 1.00 0.60 H new ATOM 0 HB3 LEU A 30 -1.124 5.142 -2.713 1.00 0.60 H new ATOM 0 HG LEU A 30 -2.546 3.070 -2.749 1.00 0.67 H new ATOM 0 HD11 LEU A 30 -4.825 3.247 -3.660 1.00 0.69 H new ATOM 0 HD12 LEU A 30 -4.675 4.073 -2.091 1.00 0.69 H new ATOM 0 HD13 LEU A 30 -4.709 5.022 -3.597 1.00 0.69 H new ATOM 0 HD21 LEU A 30 -2.897 3.113 -5.190 1.00 0.73 H new ATOM 0 HD22 LEU A 30 -2.702 4.882 -5.182 1.00 0.73 H new ATOM 0 HD23 LEU A 30 -1.335 3.833 -4.736 1.00 0.73 H new ATOM 375 N GLN A 31 -2.704 2.927 -0.209 1.00 0.50 N ATOM 376 CA GLN A 31 -2.303 1.649 0.379 1.00 0.51 C ATOM 377 C GLN A 31 -2.991 0.495 -0.348 1.00 0.52 C ATOM 378 O GLN A 31 -4.212 0.364 -0.310 1.00 0.61 O ATOM 379 CB GLN A 31 -2.648 1.602 1.872 1.00 0.54 C ATOM 380 CG GLN A 31 -1.809 2.531 2.738 1.00 0.61 C ATOM 381 CD GLN A 31 -2.207 2.473 4.200 1.00 0.84 C ATOM 382 OE1 GLN A 31 -3.045 3.250 4.659 1.00 1.16 O ATOM 383 NE2 GLN A 31 -1.609 1.545 4.938 1.00 1.16 N ATOM 0 H GLN A 31 -3.682 2.967 -0.497 1.00 0.50 H new ATOM 0 HA GLN A 31 -1.223 1.549 0.270 1.00 0.51 H new ATOM 0 HB2 GLN A 31 -3.700 1.858 1.998 1.00 0.54 H new ATOM 0 HB3 GLN A 31 -2.524 0.580 2.230 1.00 0.54 H new ATOM 0 HG2 GLN A 31 -0.757 2.264 2.640 1.00 0.61 H new ATOM 0 HG3 GLN A 31 -1.913 3.554 2.376 1.00 0.61 H new ATOM 0 HE21 GLN A 31 -0.920 0.923 4.515 1.00 1.16 H new ATOM 0 HE22 GLN A 31 -1.838 1.455 5.928 1.00 1.16 H new ATOM 392 N VAL A 32 -2.200 -0.340 -1.010 1.00 0.49 N ATOM 393 CA VAL A 32 -2.734 -1.475 -1.752 1.00 0.51 C ATOM 394 C VAL A 32 -2.538 -2.782 -0.989 1.00 0.50 C ATOM 395 O VAL A 32 -1.422 -3.147 -0.635 1.00 0.61 O ATOM 396 CB VAL A 32 -2.074 -1.591 -3.143 1.00 0.56 C ATOM 397 CG1 VAL A 32 -2.784 -2.631 -3.996 1.00 0.62 C ATOM 398 CG2 VAL A 32 -2.060 -0.241 -3.844 1.00 0.59 C ATOM 0 H VAL A 32 -1.185 -0.252 -1.048 1.00 0.49 H new ATOM 0 HA VAL A 32 -3.802 -1.298 -1.877 1.00 0.51 H new ATOM 0 HB VAL A 32 -1.043 -1.916 -3.002 1.00 0.56 H new ATOM 0 HG11 VAL A 32 -2.300 -2.694 -4.971 1.00 0.62 H new ATOM 0 HG12 VAL A 32 -2.734 -3.602 -3.503 1.00 0.62 H new ATOM 0 HG13 VAL A 32 -3.827 -2.344 -4.127 1.00 0.62 H new ATOM 0 HG21 VAL A 32 -1.591 -0.344 -4.822 1.00 0.59 H new ATOM 0 HG22 VAL A 32 -3.083 0.115 -3.968 1.00 0.59 H new ATOM 0 HG23 VAL A 32 -1.496 0.474 -3.245 1.00 0.59 H new ATOM 408 N PHE A 33 -3.638 -3.480 -0.740 1.00 0.48 N ATOM 409 CA PHE A 33 -3.603 -4.754 -0.028 1.00 0.49 C ATOM 410 C PHE A 33 -3.979 -5.894 -0.965 1.00 0.52 C ATOM 411 O PHE A 33 -5.032 -5.856 -1.601 1.00 0.57 O ATOM 412 CB PHE A 33 -4.570 -4.730 1.160 1.00 0.52 C ATOM 413 CG PHE A 33 -3.992 -4.133 2.411 1.00 0.53 C ATOM 414 CD1 PHE A 33 -3.972 -2.760 2.600 1.00 0.60 C ATOM 415 CD2 PHE A 33 -3.473 -4.949 3.402 1.00 0.63 C ATOM 416 CE1 PHE A 33 -3.447 -2.213 3.755 1.00 0.68 C ATOM 417 CE2 PHE A 33 -2.946 -4.409 4.559 1.00 0.73 C ATOM 418 CZ PHE A 33 -2.932 -3.039 4.736 1.00 0.72 C ATOM 0 H PHE A 33 -4.572 -3.184 -1.022 1.00 0.48 H new ATOM 0 HA PHE A 33 -2.589 -4.911 0.340 1.00 0.49 H new ATOM 0 HB2 PHE A 33 -5.460 -4.166 0.879 1.00 0.52 H new ATOM 0 HB3 PHE A 33 -4.893 -5.749 1.372 1.00 0.52 H new ATOM 0 HD1 PHE A 33 -4.371 -2.110 1.835 1.00 0.60 H new ATOM 0 HD2 PHE A 33 -3.480 -6.021 3.269 1.00 0.63 H new ATOM 0 HE1 PHE A 33 -3.439 -1.142 3.891 1.00 0.68 H new ATOM 0 HE2 PHE A 33 -2.545 -5.057 5.324 1.00 0.73 H new ATOM 0 HZ PHE A 33 -2.519 -2.614 5.639 1.00 0.72 H new ATOM 428 N ALA A 34 -3.118 -6.905 -1.054 1.00 0.53 N ATOM 429 CA ALA A 34 -3.384 -8.048 -1.920 1.00 0.58 C ATOM 430 C ALA A 34 -4.004 -9.205 -1.132 1.00 0.58 C ATOM 431 O ALA A 34 -4.652 -8.992 -0.108 1.00 0.62 O ATOM 432 CB ALA A 34 -2.103 -8.489 -2.614 1.00 0.66 C ATOM 0 H ALA A 34 -2.238 -6.955 -0.541 1.00 0.53 H new ATOM 0 HA ALA A 34 -4.104 -7.743 -2.679 1.00 0.58 H new ATOM 0 HB1 ALA A 34 -2.313 -9.343 -3.258 1.00 0.66 H new ATOM 0 HB2 ALA A 34 -1.714 -7.668 -3.216 1.00 0.66 H new ATOM 0 HB3 ALA A 34 -1.363 -8.773 -1.866 1.00 0.66 H new ATOM 438 N ILE A 35 -3.802 -10.426 -1.628 1.00 0.63 N ATOM 439 CA ILE A 35 -4.334 -11.625 -0.986 1.00 0.65 C ATOM 440 C ILE A 35 -3.659 -11.875 0.364 1.00 0.62 C ATOM 441 O ILE A 35 -2.433 -11.967 0.451 1.00 0.68 O ATOM 442 CB ILE A 35 -4.141 -12.864 -1.892 1.00 0.77 C ATOM 443 CG1 ILE A 35 -4.787 -12.626 -3.258 1.00 0.91 C ATOM 444 CG2 ILE A 35 -4.726 -14.111 -1.239 1.00 0.80 C ATOM 445 CD1 ILE A 35 -3.857 -12.893 -4.424 1.00 1.14 C ATOM 0 H ILE A 35 -3.270 -10.610 -2.479 1.00 0.63 H new ATOM 0 HA ILE A 35 -5.399 -11.461 -0.822 1.00 0.65 H new ATOM 0 HB ILE A 35 -3.072 -13.023 -2.031 1.00 0.77 H new ATOM 0 HG12 ILE A 35 -5.665 -13.265 -3.351 1.00 0.91 H new ATOM 0 HG13 ILE A 35 -5.136 -11.595 -3.311 1.00 0.91 H new ATOM 0 HG21 ILE A 35 -4.578 -14.969 -1.895 1.00 0.80 H new ATOM 0 HG22 ILE A 35 -4.226 -14.292 -0.287 1.00 0.80 H new ATOM 0 HG23 ILE A 35 -5.792 -13.965 -1.067 1.00 0.80 H new ATOM 0 HD11 ILE A 35 -4.383 -12.704 -5.360 1.00 1.14 H new ATOM 0 HD12 ILE A 35 -2.990 -12.236 -4.356 1.00 1.14 H new ATOM 0 HD13 ILE A 35 -3.528 -13.932 -4.397 1.00 1.14 H new ATOM 457 N GLY A 36 -4.471 -11.979 1.414 1.00 0.61 N ATOM 458 CA GLY A 36 -3.942 -12.214 2.744 1.00 0.63 C ATOM 459 C GLY A 36 -4.651 -13.352 3.460 1.00 0.65 C ATOM 460 O GLY A 36 -5.510 -14.012 2.876 1.00 0.66 O ATOM 0 H GLY A 36 -5.487 -11.904 1.365 1.00 0.61 H new ATOM 0 HA2 GLY A 36 -2.878 -12.440 2.674 1.00 0.63 H new ATOM 0 HA3 GLY A 36 -4.036 -11.303 3.335 1.00 0.63 H new ATOM 464 N PRO A 37 -4.301 -13.605 4.735 1.00 0.69 N ATOM 465 CA PRO A 37 -4.910 -14.671 5.538 1.00 0.74 C ATOM 466 C PRO A 37 -6.276 -14.280 6.099 1.00 0.72 C ATOM 467 O PRO A 37 -6.981 -15.110 6.675 1.00 0.77 O ATOM 468 CB PRO A 37 -3.907 -14.876 6.688 1.00 0.81 C ATOM 469 CG PRO A 37 -2.759 -13.955 6.419 1.00 0.79 C ATOM 470 CD PRO A 37 -3.277 -12.887 5.499 1.00 0.71 C ATOM 0 HA PRO A 37 -5.091 -15.565 4.941 1.00 0.74 H new ATOM 0 HB2 PRO A 37 -4.368 -14.651 7.650 1.00 0.81 H new ATOM 0 HB3 PRO A 37 -3.572 -15.912 6.730 1.00 0.81 H new ATOM 0 HG2 PRO A 37 -2.384 -13.521 7.346 1.00 0.79 H new ATOM 0 HG3 PRO A 37 -1.929 -14.493 5.961 1.00 0.79 H new ATOM 0 HD2 PRO A 37 -3.696 -12.044 6.049 1.00 0.71 H new ATOM 0 HD3 PRO A 37 -2.493 -12.489 4.855 1.00 0.71 H new ATOM 478 N GLN A 38 -6.644 -13.014 5.928 1.00 0.66 N ATOM 479 CA GLN A 38 -7.933 -12.511 6.427 1.00 0.65 C ATOM 480 C GLN A 38 -8.919 -12.156 5.302 1.00 0.61 C ATOM 481 O GLN A 38 -10.119 -12.036 5.532 1.00 0.62 O ATOM 482 CB GLN A 38 -7.679 -11.298 7.331 1.00 0.65 C ATOM 483 CG GLN A 38 -7.036 -10.107 6.614 1.00 0.60 C ATOM 484 CD GLN A 38 -6.819 -8.953 7.587 1.00 0.63 C ATOM 485 OE1 GLN A 38 -6.086 -9.037 8.558 1.00 0.73 O ATOM 486 NE2 GLN A 38 -7.425 -7.830 7.285 1.00 0.61 N ATOM 0 H GLN A 38 -6.075 -12.315 5.451 1.00 0.66 H new ATOM 0 HA GLN A 38 -8.405 -13.312 6.995 1.00 0.65 H new ATOM 0 HB2 GLN A 38 -8.626 -10.978 7.766 1.00 0.65 H new ATOM 0 HB3 GLN A 38 -7.035 -11.602 8.156 1.00 0.65 H new ATOM 0 HG2 GLN A 38 -6.083 -10.408 6.179 1.00 0.60 H new ATOM 0 HG3 GLN A 38 -7.674 -9.782 5.792 1.00 0.60 H new ATOM 0 HE21 GLN A 38 -8.034 -7.783 6.468 1.00 0.61 H new ATOM 0 HE22 GLN A 38 -7.288 -7.004 7.867 1.00 0.61 H new ATOM 495 N CYS A 39 -8.383 -11.931 4.105 1.00 0.57 N ATOM 496 CA CYS A 39 -9.200 -11.542 2.960 1.00 0.55 C ATOM 497 C CYS A 39 -8.683 -12.190 1.677 1.00 0.61 C ATOM 498 O CYS A 39 -7.477 -12.242 1.442 1.00 0.71 O ATOM 499 CB CYS A 39 -9.177 -10.012 2.822 1.00 0.49 C ATOM 500 SG CYS A 39 -10.616 -9.296 1.962 1.00 0.47 S ATOM 0 H CYS A 39 -7.386 -12.012 3.903 1.00 0.57 H new ATOM 0 HA CYS A 39 -10.222 -11.884 3.123 1.00 0.55 H new ATOM 0 HB2 CYS A 39 -9.112 -9.573 3.818 1.00 0.49 H new ATOM 0 HB3 CYS A 39 -8.272 -9.724 2.287 1.00 0.49 H new ATOM 505 N SER A 40 -9.603 -12.681 0.849 1.00 0.67 N ATOM 506 CA SER A 40 -9.237 -13.327 -0.410 1.00 0.78 C ATOM 507 C SER A 40 -9.069 -12.293 -1.522 1.00 0.74 C ATOM 508 O SER A 40 -8.056 -12.278 -2.219 1.00 0.97 O ATOM 509 CB SER A 40 -10.299 -14.355 -0.809 1.00 0.92 C ATOM 510 OG SER A 40 -9.902 -15.082 -1.961 1.00 1.07 O ATOM 0 H SER A 40 -10.607 -12.644 1.027 1.00 0.67 H new ATOM 0 HA SER A 40 -8.285 -13.838 -0.265 1.00 0.78 H new ATOM 0 HB2 SER A 40 -10.471 -15.044 0.018 1.00 0.92 H new ATOM 0 HB3 SER A 40 -11.244 -13.848 -1.003 1.00 0.92 H new ATOM 0 HG SER A 40 -10.597 -15.732 -2.193 1.00 1.07 H new ATOM 516 N LYS A 41 -10.072 -11.434 -1.679 1.00 0.72 N ATOM 517 CA LYS A 41 -10.038 -10.392 -2.702 1.00 0.69 C ATOM 518 C LYS A 41 -9.196 -9.210 -2.235 1.00 0.68 C ATOM 519 O LYS A 41 -9.124 -8.924 -1.040 1.00 0.70 O ATOM 520 CB LYS A 41 -11.460 -9.921 -3.022 1.00 0.68 C ATOM 521 CG LYS A 41 -11.520 -8.844 -4.096 1.00 0.77 C ATOM 522 CD LYS A 41 -12.861 -8.129 -4.101 1.00 0.88 C ATOM 523 CE LYS A 41 -12.817 -6.874 -4.961 1.00 1.07 C ATOM 524 NZ LYS A 41 -14.092 -6.110 -4.895 1.00 1.29 N ATOM 0 H LYS A 41 -10.919 -11.438 -1.111 1.00 0.72 H new ATOM 0 HA LYS A 41 -9.587 -10.809 -3.603 1.00 0.69 H new ATOM 0 HB2 LYS A 41 -12.053 -10.777 -3.345 1.00 0.68 H new ATOM 0 HB3 LYS A 41 -11.921 -9.539 -2.111 1.00 0.68 H new ATOM 0 HG2 LYS A 41 -10.722 -8.120 -3.930 1.00 0.77 H new ATOM 0 HG3 LYS A 41 -11.344 -9.294 -5.073 1.00 0.77 H new ATOM 0 HD2 LYS A 41 -13.633 -8.802 -4.475 1.00 0.88 H new ATOM 0 HD3 LYS A 41 -13.137 -7.863 -3.081 1.00 0.88 H new ATOM 0 HE2 LYS A 41 -11.995 -6.238 -4.632 1.00 1.07 H new ATOM 0 HE3 LYS A 41 -12.613 -7.150 -5.995 1.00 1.07 H new ATOM 0 HZ1 LYS A 41 -14.021 -5.263 -5.494 1.00 1.29 H new ATOM 0 HZ2 LYS A 41 -14.873 -6.708 -5.233 1.00 1.29 H new ATOM 0 HZ3 LYS A 41 -14.275 -5.824 -3.912 1.00 1.29 H new ATOM 538 N VAL A 42 -8.552 -8.529 -3.180 1.00 0.67 N ATOM 539 CA VAL A 42 -7.726 -7.375 -2.855 1.00 0.68 C ATOM 540 C VAL A 42 -8.597 -6.157 -2.553 1.00 0.67 C ATOM 541 O VAL A 42 -9.696 -6.008 -3.094 1.00 0.75 O ATOM 542 CB VAL A 42 -6.732 -7.033 -3.988 1.00 0.74 C ATOM 543 CG1 VAL A 42 -6.064 -8.294 -4.513 1.00 0.80 C ATOM 544 CG2 VAL A 42 -7.419 -6.272 -5.113 1.00 0.83 C ATOM 0 H VAL A 42 -8.588 -8.758 -4.173 1.00 0.67 H new ATOM 0 HA VAL A 42 -7.149 -7.639 -1.969 1.00 0.68 H new ATOM 0 HB VAL A 42 -5.960 -6.384 -3.574 1.00 0.74 H new ATOM 0 HG11 VAL A 42 -5.368 -8.032 -5.310 1.00 0.80 H new ATOM 0 HG12 VAL A 42 -5.522 -8.782 -3.703 1.00 0.80 H new ATOM 0 HG13 VAL A 42 -6.823 -8.973 -4.903 1.00 0.80 H new ATOM 0 HG21 VAL A 42 -6.694 -6.046 -5.895 1.00 0.83 H new ATOM 0 HG22 VAL A 42 -8.222 -6.882 -5.528 1.00 0.83 H new ATOM 0 HG23 VAL A 42 -7.834 -5.343 -4.723 1.00 0.83 H new ATOM 554 N GLU A 43 -8.103 -5.299 -1.672 1.00 0.60 N ATOM 555 CA GLU A 43 -8.831 -4.093 -1.283 1.00 0.59 C ATOM 556 C GLU A 43 -7.882 -2.899 -1.236 1.00 0.58 C ATOM 557 O GLU A 43 -6.815 -2.969 -0.626 1.00 0.63 O ATOM 558 CB GLU A 43 -9.500 -4.297 0.081 1.00 0.60 C ATOM 559 CG GLU A 43 -10.172 -5.654 0.225 1.00 0.66 C ATOM 560 CD GLU A 43 -10.984 -5.784 1.491 1.00 0.70 C ATOM 561 OE1 GLU A 43 -10.392 -5.720 2.588 1.00 0.75 O ATOM 562 OE2 GLU A 43 -12.211 -5.966 1.386 1.00 0.79 O ATOM 0 H GLU A 43 -7.200 -5.413 -1.211 1.00 0.60 H new ATOM 0 HA GLU A 43 -9.605 -3.894 -2.024 1.00 0.59 H new ATOM 0 HB2 GLU A 43 -8.751 -4.185 0.865 1.00 0.60 H new ATOM 0 HB3 GLU A 43 -10.242 -3.514 0.235 1.00 0.60 H new ATOM 0 HG2 GLU A 43 -10.821 -5.824 -0.634 1.00 0.66 H new ATOM 0 HG3 GLU A 43 -9.410 -6.433 0.208 1.00 0.66 H new ATOM 569 N VAL A 44 -8.273 -1.804 -1.882 1.00 0.55 N ATOM 570 CA VAL A 44 -7.437 -0.610 -1.923 1.00 0.56 C ATOM 571 C VAL A 44 -7.892 0.453 -0.925 1.00 0.54 C ATOM 572 O VAL A 44 -8.911 1.116 -1.109 1.00 0.57 O ATOM 573 CB VAL A 44 -7.376 0.012 -3.335 1.00 0.60 C ATOM 574 CG1 VAL A 44 -6.346 -0.708 -4.191 1.00 0.66 C ATOM 575 CG2 VAL A 44 -8.737 -0.024 -4.008 1.00 0.64 C ATOM 0 H VAL A 44 -9.158 -1.719 -2.381 1.00 0.55 H new ATOM 0 HA VAL A 44 -6.439 -0.946 -1.643 1.00 0.56 H new ATOM 0 HB VAL A 44 -7.077 1.055 -3.229 1.00 0.60 H new ATOM 0 HG11 VAL A 44 -6.317 -0.256 -5.182 1.00 0.66 H new ATOM 0 HG12 VAL A 44 -5.364 -0.625 -3.725 1.00 0.66 H new ATOM 0 HG13 VAL A 44 -6.618 -1.760 -4.280 1.00 0.66 H new ATOM 0 HG21 VAL A 44 -8.664 0.420 -5.001 1.00 0.64 H new ATOM 0 HG22 VAL A 44 -9.072 -1.058 -4.097 1.00 0.64 H new ATOM 0 HG23 VAL A 44 -9.454 0.539 -3.410 1.00 0.64 H new ATOM 585 N VAL A 45 -7.121 0.586 0.139 1.00 0.51 N ATOM 586 CA VAL A 45 -7.385 1.586 1.195 1.00 0.50 C ATOM 587 C VAL A 45 -6.599 2.888 0.926 1.00 0.51 C ATOM 588 O VAL A 45 -5.602 2.924 0.201 1.00 0.54 O ATOM 589 CB VAL A 45 -7.149 1.025 2.618 1.00 0.51 C ATOM 590 CG1 VAL A 45 -7.829 -0.310 2.832 1.00 0.69 C ATOM 591 CG2 VAL A 45 -5.729 0.637 2.948 1.00 0.67 C ATOM 0 H VAL A 45 -6.294 0.014 0.309 1.00 0.51 H new ATOM 0 HA VAL A 45 -8.446 1.834 1.156 1.00 0.50 H new ATOM 0 HB VAL A 45 -7.513 1.859 3.218 1.00 0.51 H new ATOM 0 HG11 VAL A 45 -7.633 -0.660 3.845 1.00 0.69 H new ATOM 0 HG12 VAL A 45 -8.904 -0.198 2.689 1.00 0.69 H new ATOM 0 HG13 VAL A 45 -7.441 -1.035 2.116 1.00 0.69 H new ATOM 0 HG21 VAL A 45 -5.683 0.258 3.969 1.00 0.67 H new ATOM 0 HG22 VAL A 45 -5.394 -0.137 2.258 1.00 0.67 H new ATOM 0 HG23 VAL A 45 -5.083 1.510 2.856 1.00 0.67 H new ATOM 601 N ALA A 46 -7.166 3.991 1.380 1.00 0.52 N ATOM 602 CA ALA A 46 -6.553 5.325 1.213 1.00 0.54 C ATOM 603 C ALA A 46 -6.734 6.178 2.470 1.00 0.55 C ATOM 604 O ALA A 46 -7.659 5.959 3.259 1.00 0.55 O ATOM 605 CB ALA A 46 -7.169 6.032 0.000 1.00 0.58 C ATOM 0 H ALA A 46 -8.058 4.003 1.874 1.00 0.52 H new ATOM 0 HA ALA A 46 -5.484 5.192 1.049 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -6.713 7.015 -0.118 1.00 0.58 H new ATOM 0 HB2 ALA A 46 -6.990 5.439 -0.897 1.00 0.58 H new ATOM 0 HB3 ALA A 46 -8.242 6.146 0.151 1.00 0.58 H new ATOM 611 N SER A 47 -5.809 7.109 2.656 1.00 0.57 N ATOM 612 CA SER A 47 -5.855 8.069 3.774 1.00 0.60 C ATOM 613 C SER A 47 -5.823 9.504 3.248 1.00 0.64 C ATOM 614 O SER A 47 -5.005 9.871 2.392 1.00 0.65 O ATOM 615 CB SER A 47 -4.682 7.871 4.732 1.00 0.63 C ATOM 616 OG SER A 47 -4.642 6.513 5.179 1.00 0.62 O ATOM 0 H SER A 47 -5.003 7.228 2.043 1.00 0.57 H new ATOM 0 HA SER A 47 -6.785 7.890 4.313 1.00 0.60 H new ATOM 0 HB2 SER A 47 -3.747 8.126 4.233 1.00 0.63 H new ATOM 0 HB3 SER A 47 -4.781 8.541 5.586 1.00 0.63 H new ATOM 0 HG SER A 47 -3.887 6.392 5.792 1.00 0.62 H new ATOM 622 N LEU A 48 -6.724 10.324 3.780 1.00 0.66 N ATOM 623 CA LEU A 48 -6.821 11.726 3.394 1.00 0.71 C ATOM 624 C LEU A 48 -5.775 12.561 4.125 1.00 0.74 C ATOM 625 O LEU A 48 -5.090 12.071 5.024 1.00 0.74 O ATOM 626 CB LEU A 48 -8.222 12.270 3.702 1.00 0.72 C ATOM 627 CG LEU A 48 -9.332 11.827 2.742 1.00 0.74 C ATOM 628 CD1 LEU A 48 -9.829 10.430 3.089 1.00 0.72 C ATOM 629 CD2 LEU A 48 -10.480 12.824 2.768 1.00 0.79 C ATOM 0 H LEU A 48 -7.402 10.037 4.486 1.00 0.66 H new ATOM 0 HA LEU A 48 -6.639 11.794 2.322 1.00 0.71 H new ATOM 0 HB2 LEU A 48 -8.497 11.965 4.712 1.00 0.72 H new ATOM 0 HB3 LEU A 48 -8.178 13.359 3.699 1.00 0.72 H new ATOM 0 HG LEU A 48 -8.919 11.795 1.734 1.00 0.74 H new ATOM 0 HD11 LEU A 48 -10.616 10.140 2.393 1.00 0.72 H new ATOM 0 HD12 LEU A 48 -9.003 9.722 3.018 1.00 0.72 H new ATOM 0 HD13 LEU A 48 -10.224 10.426 4.105 1.00 0.72 H new ATOM 0 HD21 LEU A 48 -11.261 12.497 2.082 1.00 0.79 H new ATOM 0 HD22 LEU A 48 -10.886 12.885 3.778 1.00 0.79 H new ATOM 0 HD23 LEU A 48 -10.117 13.805 2.463 1.00 0.79 H new ATOM 641 N LYS A 49 -5.661 13.830 3.739 1.00 0.80 N ATOM 642 CA LYS A 49 -4.700 14.737 4.360 1.00 0.86 C ATOM 643 C LYS A 49 -5.247 15.283 5.680 1.00 0.87 C ATOM 644 O LYS A 49 -4.511 15.861 6.482 1.00 0.93 O ATOM 645 CB LYS A 49 -4.365 15.887 3.403 1.00 0.94 C ATOM 646 CG LYS A 49 -3.171 16.726 3.839 1.00 1.01 C ATOM 647 CD LYS A 49 -1.887 15.911 3.863 1.00 1.07 C ATOM 648 CE LYS A 49 -0.713 16.735 4.370 1.00 1.20 C ATOM 649 NZ LYS A 49 -0.923 17.200 5.770 1.00 1.23 N ATOM 0 H LYS A 49 -6.222 14.253 3.000 1.00 0.80 H new ATOM 0 HA LYS A 49 -3.787 14.181 4.574 1.00 0.86 H new ATOM 0 HB2 LYS A 49 -4.166 15.476 2.413 1.00 0.94 H new ATOM 0 HB3 LYS A 49 -5.237 16.535 3.310 1.00 0.94 H new ATOM 0 HG2 LYS A 49 -3.053 17.571 3.160 1.00 1.01 H new ATOM 0 HG3 LYS A 49 -3.359 17.138 4.831 1.00 1.01 H new ATOM 0 HD2 LYS A 49 -2.021 15.037 4.500 1.00 1.07 H new ATOM 0 HD3 LYS A 49 -1.669 15.544 2.860 1.00 1.07 H new ATOM 0 HE2 LYS A 49 0.198 16.139 4.318 1.00 1.20 H new ATOM 0 HE3 LYS A 49 -0.567 17.597 3.719 1.00 1.20 H new ATOM 0 HZ1 LYS A 49 -0.017 17.515 6.171 1.00 1.23 H new ATOM 0 HZ2 LYS A 49 -1.598 17.991 5.775 1.00 1.23 H new ATOM 0 HZ3 LYS A 49 -1.301 16.418 6.342 1.00 1.23 H new ATOM 663 N ASN A 50 -6.544 15.081 5.904 1.00 0.84 N ATOM 664 CA ASN A 50 -7.199 15.546 7.123 1.00 0.88 C ATOM 665 C ASN A 50 -7.022 14.543 8.262 1.00 0.84 C ATOM 666 O ASN A 50 -7.340 14.839 9.415 1.00 1.01 O ATOM 667 CB ASN A 50 -8.690 15.781 6.863 1.00 0.90 C ATOM 668 CG ASN A 50 -8.938 16.811 5.777 1.00 0.98 C ATOM 669 OD1 ASN A 50 -8.160 17.749 5.602 1.00 1.05 O ATOM 670 ND2 ASN A 50 -10.028 16.640 5.040 1.00 1.01 N ATOM 0 H ASN A 50 -7.163 14.597 5.254 1.00 0.84 H new ATOM 0 HA ASN A 50 -6.732 16.485 7.419 1.00 0.88 H new ATOM 0 HB2 ASN A 50 -9.158 14.839 6.579 1.00 0.90 H new ATOM 0 HB3 ASN A 50 -9.169 16.109 7.786 1.00 0.90 H new ATOM 0 HD21 ASN A 50 -10.248 17.300 4.294 1.00 1.01 H new ATOM 0 HD22 ASN A 50 -10.646 15.848 5.219 1.00 1.01 H new ATOM 677 N GLY A 51 -6.516 13.356 7.932 1.00 0.70 N ATOM 678 CA GLY A 51 -6.305 12.328 8.937 1.00 0.69 C ATOM 679 C GLY A 51 -7.446 11.332 8.997 1.00 0.64 C ATOM 680 O GLY A 51 -7.912 10.975 10.079 1.00 0.69 O ATOM 0 H GLY A 51 -6.248 13.088 6.985 1.00 0.70 H new ATOM 0 HA2 GLY A 51 -5.376 11.799 8.722 1.00 0.69 H new ATOM 0 HA3 GLY A 51 -6.185 12.798 9.913 1.00 0.69 H new ATOM 684 N LYS A 52 -7.899 10.886 7.827 1.00 0.60 N ATOM 685 CA LYS A 52 -8.994 9.926 7.740 1.00 0.57 C ATOM 686 C LYS A 52 -8.620 8.757 6.834 1.00 0.53 C ATOM 687 O LYS A 52 -7.710 8.862 6.018 1.00 0.62 O ATOM 688 CB LYS A 52 -10.257 10.605 7.201 1.00 0.62 C ATOM 689 CG LYS A 52 -10.830 11.667 8.127 1.00 0.70 C ATOM 690 CD LYS A 52 -11.978 12.425 7.473 1.00 0.86 C ATOM 691 CE LYS A 52 -13.189 11.531 7.252 1.00 0.96 C ATOM 692 NZ LYS A 52 -14.311 12.270 6.610 1.00 1.19 N ATOM 0 H LYS A 52 -7.522 11.176 6.925 1.00 0.60 H new ATOM 0 HA LYS A 52 -9.188 9.547 8.743 1.00 0.57 H new ATOM 0 HB2 LYS A 52 -10.029 11.062 6.238 1.00 0.62 H new ATOM 0 HB3 LYS A 52 -11.018 9.845 7.021 1.00 0.62 H new ATOM 0 HG2 LYS A 52 -11.181 11.198 9.046 1.00 0.70 H new ATOM 0 HG3 LYS A 52 -10.044 12.368 8.407 1.00 0.70 H new ATOM 0 HD2 LYS A 52 -12.260 13.271 8.100 1.00 0.86 H new ATOM 0 HD3 LYS A 52 -11.647 12.833 6.518 1.00 0.86 H new ATOM 0 HE2 LYS A 52 -12.906 10.684 6.627 1.00 0.96 H new ATOM 0 HE3 LYS A 52 -13.521 11.125 8.208 1.00 0.96 H new ATOM 0 HZ1 LYS A 52 -15.118 11.628 6.476 1.00 1.19 H new ATOM 0 HZ2 LYS A 52 -14.597 13.063 7.219 1.00 1.19 H new ATOM 0 HZ3 LYS A 52 -14.002 12.636 5.687 1.00 1.19 H new ATOM 706 N GLU A 53 -9.326 7.643 6.991 1.00 0.52 N ATOM 707 CA GLU A 53 -9.086 6.442 6.173 1.00 0.49 C ATOM 708 C GLU A 53 -10.422 5.829 5.741 1.00 0.49 C ATOM 709 O GLU A 53 -11.338 5.649 6.548 1.00 0.51 O ATOM 710 CB GLU A 53 -8.250 5.431 6.968 1.00 0.49 C ATOM 711 CG GLU A 53 -9.011 4.886 8.187 1.00 0.63 C ATOM 712 CD GLU A 53 -8.142 4.060 9.118 1.00 0.63 C ATOM 713 OE1 GLU A 53 -7.169 4.650 9.634 1.00 0.64 O ATOM 714 OE2 GLU A 53 -8.522 2.894 9.352 1.00 0.69 O ATOM 0 H GLU A 53 -10.073 7.539 7.677 1.00 0.52 H new ATOM 0 HA GLU A 53 -8.531 6.718 5.276 1.00 0.49 H new ATOM 0 HB2 GLU A 53 -7.967 4.603 6.317 1.00 0.49 H new ATOM 0 HB3 GLU A 53 -7.326 5.906 7.300 1.00 0.49 H new ATOM 0 HG2 GLU A 53 -9.436 5.721 8.744 1.00 0.63 H new ATOM 0 HG3 GLU A 53 -9.845 4.275 7.842 1.00 0.63 H new ATOM 721 N ILE A 54 -10.520 5.581 4.456 1.00 0.47 N ATOM 722 CA ILE A 54 -11.729 4.949 3.885 1.00 0.47 C ATOM 723 C ILE A 54 -11.329 3.731 3.041 1.00 0.45 C ATOM 724 O ILE A 54 -10.145 3.448 2.837 1.00 0.43 O ATOM 725 CB ILE A 54 -12.565 5.979 3.101 1.00 0.49 C ATOM 726 CG1 ILE A 54 -11.779 6.531 1.898 1.00 0.48 C ATOM 727 CG2 ILE A 54 -13.090 7.076 4.045 1.00 0.53 C ATOM 728 CD1 ILE A 54 -12.590 7.427 0.958 1.00 0.51 C ATOM 0 H ILE A 54 -9.793 5.798 3.774 1.00 0.47 H new ATOM 0 HA ILE A 54 -12.370 4.588 4.689 1.00 0.47 H new ATOM 0 HB ILE A 54 -13.441 5.484 2.682 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -10.924 7.097 2.269 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -11.382 5.693 1.326 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -13.678 7.795 3.475 1.00 0.53 H new ATOM 0 HG22 ILE A 54 -13.715 6.625 4.815 1.00 0.53 H new ATOM 0 HG23 ILE A 54 -12.248 7.586 4.514 1.00 0.53 H new ATOM 0 HD11 ILE A 54 -11.954 7.768 0.141 1.00 0.51 H new ATOM 0 HD12 ILE A 54 -13.430 6.863 0.552 1.00 0.51 H new ATOM 0 HD13 ILE A 54 -12.965 8.289 1.510 1.00 0.51 H new ATOM 740 N CYS A 55 -12.349 3.089 2.493 1.00 0.46 N ATOM 741 CA CYS A 55 -12.169 1.930 1.607 1.00 0.44 C ATOM 742 C CYS A 55 -12.923 2.169 0.308 1.00 0.46 C ATOM 743 O CYS A 55 -14.079 2.586 0.297 1.00 0.49 O ATOM 744 CB CYS A 55 -12.722 0.676 2.267 1.00 0.45 C ATOM 745 SG CYS A 55 -11.750 0.117 3.712 1.00 0.43 S ATOM 0 H CYS A 55 -13.324 3.348 2.644 1.00 0.46 H new ATOM 0 HA CYS A 55 -11.105 1.799 1.409 1.00 0.44 H new ATOM 0 HB2 CYS A 55 -13.749 0.864 2.581 1.00 0.45 H new ATOM 0 HB3 CYS A 55 -12.756 -0.127 1.530 1.00 0.45 H new ATOM 750 N LEU A 56 -12.266 1.803 -0.769 1.00 0.46 N ATOM 751 CA LEU A 56 -12.824 1.985 -2.105 1.00 0.49 C ATOM 752 C LEU A 56 -13.085 0.607 -2.721 1.00 0.50 C ATOM 753 O LEU A 56 -12.405 -0.377 -2.408 1.00 0.48 O ATOM 754 CB LEU A 56 -11.776 2.830 -2.843 1.00 0.49 C ATOM 755 CG LEU A 56 -11.439 4.215 -2.276 1.00 0.48 C ATOM 756 CD1 LEU A 56 -10.556 4.958 -3.278 1.00 0.49 C ATOM 757 CD2 LEU A 56 -12.684 5.047 -1.955 1.00 0.51 C ATOM 0 H LEU A 56 -11.340 1.375 -0.754 1.00 0.46 H new ATOM 0 HA LEU A 56 -13.787 2.495 -2.140 1.00 0.49 H new ATOM 0 HB2 LEU A 56 -10.852 2.253 -2.886 1.00 0.49 H new ATOM 0 HB3 LEU A 56 -12.117 2.963 -3.870 1.00 0.49 H new ATOM 0 HG LEU A 56 -10.913 4.069 -1.333 1.00 0.48 H new ATOM 0 HD11 LEU A 56 -10.310 5.944 -2.885 1.00 0.49 H new ATOM 0 HD12 LEU A 56 -9.638 4.394 -3.442 1.00 0.49 H new ATOM 0 HD13 LEU A 56 -11.089 5.066 -4.222 1.00 0.49 H new ATOM 0 HD21 LEU A 56 -12.382 6.016 -1.557 1.00 0.51 H new ATOM 0 HD22 LEU A 56 -13.268 5.194 -2.864 1.00 0.51 H new ATOM 0 HD23 LEU A 56 -13.290 4.524 -1.215 1.00 0.51 H new ATOM 769 N ASP A 57 -14.045 0.528 -3.635 1.00 0.53 N ATOM 770 CA ASP A 57 -14.343 -0.737 -4.307 1.00 0.54 C ATOM 771 C ASP A 57 -13.711 -0.754 -5.701 1.00 0.57 C ATOM 772 O ASP A 57 -14.148 -0.023 -6.591 1.00 0.62 O ATOM 773 CB ASP A 57 -15.855 -0.960 -4.421 1.00 0.59 C ATOM 774 CG ASP A 57 -16.229 -2.431 -4.366 1.00 0.60 C ATOM 775 OD1 ASP A 57 -15.578 -3.239 -5.057 1.00 0.62 O ATOM 776 OD2 ASP A 57 -17.178 -2.772 -3.627 1.00 0.67 O ATOM 0 H ASP A 57 -14.626 1.314 -3.927 1.00 0.53 H new ATOM 0 HA ASP A 57 -13.921 -1.544 -3.708 1.00 0.54 H new ATOM 0 HB2 ASP A 57 -16.360 -0.429 -3.614 1.00 0.59 H new ATOM 0 HB3 ASP A 57 -16.213 -0.532 -5.357 1.00 0.59 H new ATOM 781 N PRO A 58 -12.677 -1.600 -5.910 1.00 0.58 N ATOM 782 CA PRO A 58 -11.975 -1.707 -7.204 1.00 0.64 C ATOM 783 C PRO A 58 -12.867 -2.251 -8.313 1.00 0.73 C ATOM 784 O PRO A 58 -12.492 -2.241 -9.488 1.00 0.86 O ATOM 785 CB PRO A 58 -10.832 -2.691 -6.928 1.00 0.68 C ATOM 786 CG PRO A 58 -10.749 -2.824 -5.446 1.00 0.63 C ATOM 787 CD PRO A 58 -12.119 -2.524 -4.910 1.00 0.59 C ATOM 0 HA PRO A 58 -11.642 -0.729 -7.551 1.00 0.64 H new ATOM 0 HB2 PRO A 58 -11.027 -3.656 -7.395 1.00 0.68 H new ATOM 0 HB3 PRO A 58 -9.892 -2.322 -7.339 1.00 0.68 H new ATOM 0 HG2 PRO A 58 -10.434 -3.829 -5.164 1.00 0.63 H new ATOM 0 HG3 PRO A 58 -10.013 -2.133 -5.036 1.00 0.63 H new ATOM 0 HD2 PRO A 58 -12.721 -3.428 -4.816 1.00 0.59 H new ATOM 0 HD3 PRO A 58 -12.073 -2.067 -3.921 1.00 0.59 H new ATOM 795 N GLU A 59 -14.050 -2.719 -7.931 1.00 0.69 N ATOM 796 CA GLU A 59 -15.009 -3.270 -8.877 1.00 0.81 C ATOM 797 C GLU A 59 -15.694 -2.158 -9.670 1.00 0.87 C ATOM 798 O GLU A 59 -16.338 -2.418 -10.687 1.00 0.96 O ATOM 799 CB GLU A 59 -16.048 -4.109 -8.125 1.00 0.84 C ATOM 800 CG GLU A 59 -16.964 -4.922 -9.027 1.00 1.11 C ATOM 801 CD GLU A 59 -17.961 -5.752 -8.244 1.00 1.18 C ATOM 802 OE1 GLU A 59 -19.036 -5.217 -7.899 1.00 1.35 O ATOM 803 OE2 GLU A 59 -17.664 -6.935 -7.973 1.00 1.29 O ATOM 0 H GLU A 59 -14.369 -2.727 -6.962 1.00 0.69 H new ATOM 0 HA GLU A 59 -14.477 -3.906 -9.585 1.00 0.81 H new ATOM 0 HB2 GLU A 59 -15.529 -4.787 -7.447 1.00 0.84 H new ATOM 0 HB3 GLU A 59 -16.657 -3.447 -7.510 1.00 0.84 H new ATOM 0 HG2 GLU A 59 -17.501 -4.249 -9.695 1.00 1.11 H new ATOM 0 HG3 GLU A 59 -16.361 -5.579 -9.654 1.00 1.11 H new ATOM 810 N ALA A 60 -15.545 -0.908 -9.223 1.00 0.84 N ATOM 811 CA ALA A 60 -16.178 0.209 -9.930 1.00 0.92 C ATOM 812 C ALA A 60 -15.164 0.917 -10.850 1.00 0.95 C ATOM 813 O ALA A 60 -14.068 1.274 -10.405 1.00 0.92 O ATOM 814 CB ALA A 60 -16.758 1.157 -8.886 1.00 0.91 C ATOM 0 H ALA A 60 -15.006 -0.647 -8.397 1.00 0.84 H new ATOM 0 HA ALA A 60 -16.980 -0.151 -10.574 1.00 0.92 H new ATOM 0 HB1 ALA A 60 -17.236 2.000 -9.385 1.00 0.91 H new ATOM 0 HB2 ALA A 60 -17.495 0.627 -8.283 1.00 0.91 H new ATOM 0 HB3 ALA A 60 -15.958 1.523 -8.243 1.00 0.91 H new ATOM 820 N PRO A 61 -15.576 1.219 -12.087 1.00 1.04 N ATOM 821 CA PRO A 61 -14.719 1.873 -13.098 1.00 1.08 C ATOM 822 C PRO A 61 -14.314 3.304 -12.718 1.00 1.06 C ATOM 823 O PRO A 61 -13.130 3.635 -12.741 1.00 1.05 O ATOM 824 CB PRO A 61 -15.542 1.839 -14.385 1.00 1.20 C ATOM 825 CG PRO A 61 -16.986 1.878 -13.885 1.00 1.24 C ATOM 826 CD PRO A 61 -16.939 1.019 -12.622 1.00 1.13 C ATOM 0 HA PRO A 61 -13.767 1.352 -13.198 1.00 1.08 H new ATOM 0 HB2 PRO A 61 -15.317 2.690 -15.028 1.00 1.20 H new ATOM 0 HB3 PRO A 61 -15.342 0.938 -14.966 1.00 1.20 H new ATOM 0 HG2 PRO A 61 -17.310 2.896 -13.668 1.00 1.24 H new ATOM 0 HG3 PRO A 61 -17.679 1.473 -14.622 1.00 1.24 H new ATOM 0 HD2 PRO A 61 -17.697 1.329 -11.903 1.00 1.13 H new ATOM 0 HD3 PRO A 61 -17.126 -0.031 -12.849 1.00 1.13 H new ATOM 834 N PHE A 62 -15.270 4.067 -12.181 1.00 1.08 N ATOM 835 CA PHE A 62 -15.023 5.444 -11.702 1.00 1.08 C ATOM 836 C PHE A 62 -13.980 5.477 -10.580 1.00 0.97 C ATOM 837 O PHE A 62 -13.233 6.440 -10.431 1.00 0.97 O ATOM 838 CB PHE A 62 -16.315 6.112 -11.221 1.00 1.15 C ATOM 839 CG PHE A 62 -16.935 5.425 -10.003 1.00 1.13 C ATOM 840 CD1 PHE A 62 -16.551 5.803 -8.722 1.00 1.08 C ATOM 841 CD2 PHE A 62 -17.902 4.446 -10.184 1.00 1.18 C ATOM 842 CE1 PHE A 62 -17.137 5.202 -7.619 1.00 1.10 C ATOM 843 CE2 PHE A 62 -18.500 3.858 -9.079 1.00 1.19 C ATOM 844 CZ PHE A 62 -18.111 4.229 -7.801 1.00 1.15 C ATOM 0 H PHE A 62 -16.234 3.757 -12.063 1.00 1.08 H new ATOM 0 HA PHE A 62 -14.634 6.002 -12.554 1.00 1.08 H new ATOM 0 HB2 PHE A 62 -16.108 7.153 -10.975 1.00 1.15 H new ATOM 0 HB3 PHE A 62 -17.039 6.115 -12.036 1.00 1.15 H new ATOM 0 HD1 PHE A 62 -15.797 6.564 -8.586 1.00 1.08 H new ATOM 0 HD2 PHE A 62 -18.188 4.143 -11.181 1.00 1.18 H new ATOM 0 HE1 PHE A 62 -16.837 5.489 -6.622 1.00 1.10 H new ATOM 0 HE2 PHE A 62 -19.268 3.111 -9.214 1.00 1.19 H new ATOM 0 HZ PHE A 62 -18.568 3.759 -6.943 1.00 1.15 H new ATOM 854 N LEU A 63 -13.897 4.383 -9.841 1.00 0.89 N ATOM 855 CA LEU A 63 -12.940 4.268 -8.761 1.00 0.79 C ATOM 856 C LEU A 63 -11.544 3.979 -9.311 1.00 0.80 C ATOM 857 O LEU A 63 -10.544 4.384 -8.727 1.00 0.80 O ATOM 858 CB LEU A 63 -13.375 3.167 -7.808 1.00 0.72 C ATOM 859 CG LEU A 63 -12.874 3.326 -6.385 1.00 0.64 C ATOM 860 CD1 LEU A 63 -14.049 3.267 -5.421 1.00 0.60 C ATOM 861 CD2 LEU A 63 -11.837 2.255 -6.074 1.00 0.63 C ATOM 0 H LEU A 63 -14.485 3.560 -9.973 1.00 0.89 H new ATOM 0 HA LEU A 63 -12.902 5.213 -8.219 1.00 0.79 H new ATOM 0 HB2 LEU A 63 -14.464 3.127 -7.793 1.00 0.72 H new ATOM 0 HB3 LEU A 63 -13.027 2.210 -8.197 1.00 0.72 H new ATOM 0 HG LEU A 63 -12.391 4.296 -6.270 1.00 0.64 H new ATOM 0 HD11 LEU A 63 -13.687 3.381 -4.399 1.00 0.60 H new ATOM 0 HD12 LEU A 63 -14.749 4.071 -5.650 1.00 0.60 H new ATOM 0 HD13 LEU A 63 -14.554 2.306 -5.522 1.00 0.60 H new ATOM 0 HD21 LEU A 63 -11.483 2.377 -5.050 1.00 0.63 H new ATOM 0 HD22 LEU A 63 -12.287 1.269 -6.187 1.00 0.63 H new ATOM 0 HD23 LEU A 63 -10.997 2.351 -6.762 1.00 0.63 H new ATOM 873 N LYS A 64 -11.496 3.284 -10.448 1.00 0.85 N ATOM 874 CA LYS A 64 -10.236 2.938 -11.112 1.00 0.90 C ATOM 875 C LYS A 64 -9.566 4.187 -11.698 1.00 0.94 C ATOM 876 O LYS A 64 -8.364 4.212 -11.927 1.00 0.99 O ATOM 877 CB LYS A 64 -10.502 1.906 -12.215 1.00 1.00 C ATOM 878 CG LYS A 64 -9.253 1.430 -12.942 1.00 1.10 C ATOM 879 CD LYS A 64 -9.597 0.507 -14.104 1.00 1.26 C ATOM 880 CE LYS A 64 -10.354 1.239 -15.204 1.00 1.46 C ATOM 881 NZ LYS A 64 -10.609 0.363 -16.379 1.00 1.71 N ATOM 0 H LYS A 64 -12.326 2.945 -10.934 1.00 0.85 H new ATOM 0 HA LYS A 64 -9.558 2.509 -10.375 1.00 0.90 H new ATOM 0 HB2 LYS A 64 -11.003 1.044 -11.776 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -11.189 2.338 -12.942 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -8.697 2.291 -13.313 1.00 1.10 H new ATOM 0 HG3 LYS A 64 -8.601 0.907 -12.242 1.00 1.10 H new ATOM 0 HD2 LYS A 64 -8.681 0.082 -14.514 1.00 1.26 H new ATOM 0 HD3 LYS A 64 -10.199 -0.326 -13.741 1.00 1.26 H new ATOM 0 HE2 LYS A 64 -11.303 1.604 -14.811 1.00 1.46 H new ATOM 0 HE3 LYS A 64 -9.782 2.112 -15.519 1.00 1.46 H new ATOM 0 HZ1 LYS A 64 -11.126 0.898 -17.105 1.00 1.71 H new ATOM 0 HZ2 LYS A 64 -9.703 0.035 -16.770 1.00 1.71 H new ATOM 0 HZ3 LYS A 64 -11.176 -0.457 -16.084 1.00 1.71 H new ATOM 895 N LYS A 65 -10.374 5.212 -11.933 1.00 0.94 N ATOM 896 CA LYS A 65 -9.918 6.504 -12.479 1.00 0.99 C ATOM 897 C LYS A 65 -9.182 7.364 -11.448 1.00 0.96 C ATOM 898 O LYS A 65 -7.998 7.653 -11.610 1.00 1.01 O ATOM 899 CB LYS A 65 -11.114 7.277 -13.021 1.00 1.02 C ATOM 900 CG LYS A 65 -11.753 6.560 -14.210 1.00 1.09 C ATOM 901 CD LYS A 65 -12.879 7.401 -14.815 1.00 1.15 C ATOM 902 CE LYS A 65 -12.372 8.711 -15.438 1.00 1.21 C ATOM 903 NZ LYS A 65 -11.454 8.458 -16.558 1.00 1.29 N ATOM 0 H LYS A 65 -11.377 5.180 -11.751 1.00 0.94 H new ATOM 0 HA LYS A 65 -9.208 6.281 -13.275 1.00 0.99 H new ATOM 0 HB2 LYS A 65 -11.854 7.404 -12.231 1.00 1.02 H new ATOM 0 HB3 LYS A 65 -10.796 8.275 -13.324 1.00 1.02 H new ATOM 0 HG2 LYS A 65 -10.996 6.359 -14.968 1.00 1.09 H new ATOM 0 HG3 LYS A 65 -12.146 5.595 -13.889 1.00 1.09 H new ATOM 0 HD2 LYS A 65 -13.394 6.816 -15.577 1.00 1.15 H new ATOM 0 HD3 LYS A 65 -13.611 7.631 -14.041 1.00 1.15 H new ATOM 0 HE2 LYS A 65 -13.220 9.300 -15.788 1.00 1.21 H new ATOM 0 HE3 LYS A 65 -11.864 9.304 -14.677 1.00 1.21 H new ATOM 0 HZ1 LYS A 65 -11.278 9.346 -17.070 1.00 1.29 H new ATOM 0 HZ2 LYS A 65 -10.554 8.086 -16.192 1.00 1.29 H new ATOM 0 HZ3 LYS A 65 -11.879 7.763 -17.205 1.00 1.29 H new ATOM 917 N VAL A 66 -9.865 7.647 -10.337 1.00 0.90 N ATOM 918 CA VAL A 66 -9.286 8.434 -9.254 1.00 0.88 C ATOM 919 C VAL A 66 -8.039 7.752 -8.670 1.00 0.88 C ATOM 920 O VAL A 66 -7.136 8.429 -8.178 1.00 0.91 O ATOM 921 CB VAL A 66 -10.316 8.709 -8.131 1.00 0.85 C ATOM 922 CG1 VAL A 66 -11.505 9.484 -8.678 1.00 0.87 C ATOM 923 CG2 VAL A 66 -10.781 7.416 -7.478 1.00 0.85 C ATOM 0 H VAL A 66 -10.823 7.340 -10.166 1.00 0.90 H new ATOM 0 HA VAL A 66 -8.989 9.390 -9.685 1.00 0.88 H new ATOM 0 HB VAL A 66 -9.824 9.312 -7.368 1.00 0.85 H new ATOM 0 HG11 VAL A 66 -12.219 9.669 -7.876 1.00 0.87 H new ATOM 0 HG12 VAL A 66 -11.163 10.435 -9.085 1.00 0.87 H new ATOM 0 HG13 VAL A 66 -11.986 8.904 -9.466 1.00 0.87 H new ATOM 0 HG21 VAL A 66 -11.503 7.644 -6.694 1.00 0.85 H new ATOM 0 HG22 VAL A 66 -11.248 6.777 -8.228 1.00 0.85 H new ATOM 0 HG23 VAL A 66 -9.925 6.899 -7.044 1.00 0.85 H new ATOM 933 N ILE A 67 -7.985 6.410 -8.730 1.00 0.88 N ATOM 934 CA ILE A 67 -6.819 5.678 -8.228 1.00 0.91 C ATOM 935 C ILE A 67 -5.743 5.600 -9.306 1.00 0.98 C ATOM 936 O ILE A 67 -4.560 5.459 -9.001 1.00 1.05 O ATOM 937 CB ILE A 67 -7.151 4.253 -7.723 1.00 0.92 C ATOM 938 CG1 ILE A 67 -7.633 3.364 -8.871 1.00 0.93 C ATOM 939 CG2 ILE A 67 -8.182 4.312 -6.605 1.00 0.89 C ATOM 940 CD1 ILE A 67 -7.784 1.903 -8.498 1.00 1.00 C ATOM 0 H ILE A 67 -8.724 5.822 -9.115 1.00 0.88 H new ATOM 0 HA ILE A 67 -6.456 6.240 -7.367 1.00 0.91 H new ATOM 0 HB ILE A 67 -6.239 3.810 -7.322 1.00 0.92 H new ATOM 0 HG12 ILE A 67 -8.592 3.738 -9.228 1.00 0.93 H new ATOM 0 HG13 ILE A 67 -6.930 3.446 -9.700 1.00 0.93 H new ATOM 0 HG21 ILE A 67 -8.404 3.302 -6.261 1.00 0.89 H new ATOM 0 HG22 ILE A 67 -7.786 4.899 -5.776 1.00 0.89 H new ATOM 0 HG23 ILE A 67 -9.095 4.778 -6.976 1.00 0.89 H new ATOM 0 HD11 ILE A 67 -8.129 1.340 -9.365 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -6.822 1.510 -8.170 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -8.510 1.807 -7.691 1.00 1.00 H new ATOM 952 N GLN A 68 -6.159 5.671 -10.574 1.00 0.99 N ATOM 953 CA GLN A 68 -5.199 5.667 -11.691 1.00 1.08 C ATOM 954 C GLN A 68 -4.415 6.989 -11.731 1.00 1.06 C ATOM 955 O GLN A 68 -3.191 6.987 -11.857 1.00 1.09 O ATOM 956 CB GLN A 68 -5.940 5.461 -13.004 1.00 1.16 C ATOM 957 CG GLN A 68 -4.959 5.261 -14.152 1.00 1.27 C ATOM 958 CD GLN A 68 -5.711 5.026 -15.456 1.00 1.37 C ATOM 959 OE1 GLN A 68 -6.559 5.790 -15.893 1.00 1.41 O ATOM 960 NE2 GLN A 68 -5.347 3.946 -16.107 1.00 1.52 N ATOM 0 H GLN A 68 -7.138 5.731 -10.854 1.00 0.99 H new ATOM 0 HA GLN A 68 -4.492 4.850 -11.544 1.00 1.08 H new ATOM 0 HB2 GLN A 68 -6.596 4.594 -12.925 1.00 1.16 H new ATOM 0 HB3 GLN A 68 -6.575 6.323 -13.208 1.00 1.16 H new ATOM 0 HG2 GLN A 68 -4.317 6.137 -14.247 1.00 1.27 H new ATOM 0 HG3 GLN A 68 -4.310 4.411 -13.941 1.00 1.27 H new ATOM 0 HE21 GLN A 68 -4.636 3.329 -15.714 1.00 1.52 H new ATOM 0 HE22 GLN A 68 -5.775 3.724 -17.006 1.00 1.52 H new ATOM 969 N LYS A 69 -5.125 8.101 -11.534 1.00 1.05 N ATOM 970 CA LYS A 69 -4.519 9.435 -11.552 1.00 1.06 C ATOM 971 C LYS A 69 -3.452 9.618 -10.467 1.00 1.08 C ATOM 972 O LYS A 69 -2.478 10.340 -10.675 1.00 1.15 O ATOM 973 CB LYS A 69 -5.592 10.510 -11.383 1.00 1.03 C ATOM 974 CG LYS A 69 -6.439 10.735 -12.624 1.00 1.10 C ATOM 975 CD LYS A 69 -7.360 11.933 -12.454 1.00 1.19 C ATOM 976 CE LYS A 69 -8.053 12.299 -13.756 1.00 1.38 C ATOM 977 NZ LYS A 69 -8.879 13.530 -13.620 1.00 1.58 N ATOM 0 H LYS A 69 -6.130 8.104 -11.359 1.00 1.05 H new ATOM 0 HA LYS A 69 -4.030 9.537 -12.521 1.00 1.06 H new ATOM 0 HB2 LYS A 69 -6.244 10.231 -10.555 1.00 1.03 H new ATOM 0 HB3 LYS A 69 -5.112 11.449 -11.108 1.00 1.03 H new ATOM 0 HG2 LYS A 69 -5.791 10.891 -13.486 1.00 1.10 H new ATOM 0 HG3 LYS A 69 -7.032 9.844 -12.829 1.00 1.10 H new ATOM 0 HD2 LYS A 69 -8.109 11.711 -11.693 1.00 1.19 H new ATOM 0 HD3 LYS A 69 -6.784 12.787 -12.096 1.00 1.19 H new ATOM 0 HE2 LYS A 69 -7.306 12.448 -14.535 1.00 1.38 H new ATOM 0 HE3 LYS A 69 -8.686 11.471 -14.075 1.00 1.38 H new ATOM 0 HZ1 LYS A 69 -9.334 13.745 -14.530 1.00 1.58 H new ATOM 0 HZ2 LYS A 69 -9.609 13.380 -12.895 1.00 1.58 H new ATOM 0 HZ3 LYS A 69 -8.272 14.327 -13.340 1.00 1.58 H new ATOM 991 N ILE A 70 -3.628 8.971 -9.312 1.00 1.07 N ATOM 992 CA ILE A 70 -2.660 9.098 -8.219 1.00 1.12 C ATOM 993 C ILE A 70 -1.467 8.159 -8.403 1.00 1.25 C ATOM 994 O ILE A 70 -0.494 8.227 -7.652 1.00 1.37 O ATOM 995 CB ILE A 70 -3.300 8.848 -6.833 1.00 1.09 C ATOM 996 CG1 ILE A 70 -3.994 7.484 -6.787 1.00 1.09 C ATOM 997 CG2 ILE A 70 -4.281 9.962 -6.498 1.00 1.14 C ATOM 998 CD1 ILE A 70 -4.634 7.167 -5.452 1.00 1.19 C ATOM 0 H ILE A 70 -4.421 8.362 -9.110 1.00 1.07 H new ATOM 0 HA ILE A 70 -2.308 10.129 -8.255 1.00 1.12 H new ATOM 0 HB ILE A 70 -2.507 8.845 -6.085 1.00 1.09 H new ATOM 0 HG12 ILE A 70 -4.759 7.450 -7.563 1.00 1.09 H new ATOM 0 HG13 ILE A 70 -3.266 6.708 -7.023 1.00 1.09 H new ATOM 0 HG21 ILE A 70 -4.725 9.774 -5.520 1.00 1.14 H new ATOM 0 HG22 ILE A 70 -3.755 10.917 -6.481 1.00 1.14 H new ATOM 0 HG23 ILE A 70 -5.067 9.994 -7.253 1.00 1.14 H new ATOM 0 HD11 ILE A 70 -5.105 6.185 -5.498 1.00 1.19 H new ATOM 0 HD12 ILE A 70 -3.871 7.167 -4.674 1.00 1.19 H new ATOM 0 HD13 ILE A 70 -5.387 7.920 -5.222 1.00 1.19 H new ATOM 1122 N LEU B 8 7.144 20.376 16.043 1.00 0.80 N ATOM 1123 CA LEU B 8 7.624 20.937 14.760 1.00 0.77 C ATOM 1124 C LEU B 8 9.090 21.402 14.896 1.00 0.77 C ATOM 1125 O LEU B 8 9.397 22.537 15.254 1.00 0.79 O ATOM 1126 CB LEU B 8 6.686 22.077 14.322 1.00 0.78 C ATOM 1127 CG LEU B 8 6.950 22.661 12.919 1.00 0.76 C ATOM 1128 CD1 LEU B 8 5.671 23.315 12.405 1.00 0.77 C ATOM 1129 CD2 LEU B 8 8.028 23.751 12.906 1.00 0.77 C ATOM 0 HA LEU B 8 7.605 20.171 13.985 1.00 0.77 H new ATOM 0 HB2 LEU B 8 5.660 21.711 14.355 1.00 0.78 H new ATOM 0 HB3 LEU B 8 6.761 22.884 15.051 1.00 0.78 H new ATOM 0 HG LEU B 8 7.285 21.828 12.301 1.00 0.76 H new ATOM 0 HD11 LEU B 8 5.848 23.731 11.413 1.00 0.77 H new ATOM 0 HD12 LEU B 8 4.878 22.569 12.349 1.00 0.77 H new ATOM 0 HD13 LEU B 8 5.372 24.113 13.085 1.00 0.77 H new ATOM 0 HD21 LEU B 8 8.163 24.117 11.888 1.00 0.77 H new ATOM 0 HD22 LEU B 8 7.720 24.575 13.550 1.00 0.77 H new ATOM 0 HD23 LEU B 8 8.968 23.337 13.270 1.00 0.77 H new ATOM 1141 N ARG B 9 9.963 20.410 14.834 1.00 0.75 N ATOM 1142 CA ARG B 9 11.414 20.652 14.949 1.00 0.75 C ATOM 1143 C ARG B 9 12.187 19.937 13.840 1.00 0.72 C ATOM 1144 O ARG B 9 12.774 20.576 12.972 1.00 0.71 O ATOM 1145 CB ARG B 9 11.938 20.324 16.359 1.00 0.79 C ATOM 1146 CG ARG B 9 11.679 18.883 16.811 1.00 0.79 C ATOM 1147 CD ARG B 9 12.400 18.560 18.115 1.00 0.82 C ATOM 1148 NE ARG B 9 12.189 17.139 18.449 1.00 0.82 N ATOM 1149 CZ ARG B 9 11.078 16.588 18.941 1.00 0.83 C ATOM 1150 NH1 ARG B 9 9.987 17.308 19.185 1.00 0.85 N ATOM 1151 NH2 ARG B 9 11.059 15.296 19.244 1.00 0.84 N ATOM 0 H ARG B 9 9.707 19.431 14.706 1.00 0.75 H new ATOM 0 HA ARG B 9 11.588 21.719 14.807 1.00 0.75 H new ATOM 0 HB2 ARG B 9 13.011 20.514 16.388 1.00 0.79 H new ATOM 0 HB3 ARG B 9 11.475 21.005 17.073 1.00 0.79 H new ATOM 0 HG2 ARG B 9 10.608 18.730 16.941 1.00 0.79 H new ATOM 0 HG3 ARG B 9 12.008 18.194 16.033 1.00 0.79 H new ATOM 0 HD2 ARG B 9 13.465 18.768 18.016 1.00 0.82 H new ATOM 0 HD3 ARG B 9 12.025 19.194 18.918 1.00 0.82 H new ATOM 0 HE ARG B 9 12.976 16.511 18.287 1.00 0.82 H new ATOM 0 HH11 ARG B 9 9.985 18.310 18.996 1.00 0.85 H new ATOM 0 HH12 ARG B 9 9.153 16.858 19.561 1.00 0.85 H new ATOM 0 HH21 ARG B 9 11.893 14.726 19.101 1.00 0.84 H new ATOM 0 HH22 ARG B 9 10.211 14.873 19.620 1.00 0.84 H new ATOM 1165 N GLU B 10 12.133 18.603 13.868 1.00 0.71 N ATOM 1166 CA GLU B 10 12.911 17.734 12.978 1.00 0.68 C ATOM 1167 C GLU B 10 12.189 16.404 12.762 1.00 0.66 C ATOM 1168 O GLU B 10 11.885 15.684 13.715 1.00 0.68 O ATOM 1169 CB GLU B 10 14.286 17.445 13.592 1.00 0.70 C ATOM 1170 CG GLU B 10 15.158 18.701 13.708 1.00 0.72 C ATOM 1171 CD GLU B 10 16.555 18.426 14.263 1.00 0.75 C ATOM 1172 OE1 GLU B 10 17.045 17.292 14.068 1.00 0.74 O ATOM 1173 OE2 GLU B 10 17.115 19.371 14.858 1.00 0.77 O ATOM 0 H GLU B 10 11.540 18.088 14.518 1.00 0.71 H new ATOM 0 HA GLU B 10 13.028 18.248 12.024 1.00 0.68 H new ATOM 0 HB2 GLU B 10 14.153 17.007 14.581 1.00 0.70 H new ATOM 0 HB3 GLU B 10 14.803 16.704 12.983 1.00 0.70 H new ATOM 0 HG2 GLU B 10 15.251 19.161 12.724 1.00 0.72 H new ATOM 0 HG3 GLU B 10 14.656 19.424 14.351 1.00 0.72 H new ATOM 1180 N LEU B 11 11.797 16.204 11.516 1.00 0.63 N ATOM 1181 CA LEU B 11 11.102 14.979 11.087 1.00 0.61 C ATOM 1182 C LEU B 11 11.832 14.347 9.901 1.00 0.58 C ATOM 1183 O LEU B 11 12.298 15.041 8.995 1.00 0.57 O ATOM 1184 CB LEU B 11 9.663 15.321 10.700 1.00 0.60 C ATOM 1185 CG LEU B 11 8.872 15.844 11.898 1.00 0.64 C ATOM 1186 CD1 LEU B 11 8.260 17.204 11.564 1.00 0.65 C ATOM 1187 CD2 LEU B 11 7.797 14.837 12.306 1.00 0.64 C ATOM 0 H LEU B 11 11.946 16.879 10.766 1.00 0.63 H new ATOM 0 HA LEU B 11 11.093 14.263 11.909 1.00 0.61 H new ATOM 0 HB2 LEU B 11 9.666 16.071 9.909 1.00 0.60 H new ATOM 0 HB3 LEU B 11 9.173 14.435 10.297 1.00 0.60 H new ATOM 0 HG LEU B 11 9.546 15.972 12.745 1.00 0.64 H new ATOM 0 HD11 LEU B 11 7.698 17.571 12.423 1.00 0.65 H new ATOM 0 HD12 LEU B 11 9.054 17.911 11.322 1.00 0.65 H new ATOM 0 HD13 LEU B 11 7.592 17.102 10.709 1.00 0.65 H new ATOM 0 HD21 LEU B 11 7.242 15.224 13.161 1.00 0.64 H new ATOM 0 HD22 LEU B 11 7.114 14.676 11.472 1.00 0.64 H new ATOM 0 HD23 LEU B 11 8.268 13.892 12.577 1.00 0.64 H new ATOM 1199 N ARG B 12 11.890 13.029 9.947 1.00 0.57 N ATOM 1200 CA ARG B 12 12.622 12.230 8.946 1.00 0.55 C ATOM 1201 C ARG B 12 11.605 11.551 8.035 1.00 0.52 C ATOM 1202 O ARG B 12 10.519 11.172 8.481 1.00 0.52 O ATOM 1203 CB ARG B 12 13.465 11.155 9.655 1.00 0.57 C ATOM 1204 CG ARG B 12 14.247 11.649 10.883 1.00 0.60 C ATOM 1205 CD ARG B 12 15.058 12.903 10.556 1.00 0.61 C ATOM 1206 NE ARG B 12 15.911 13.298 11.679 1.00 0.65 N ATOM 1207 CZ ARG B 12 17.225 13.143 11.627 1.00 0.67 C ATOM 1208 NH1 ARG B 12 17.775 11.967 11.893 1.00 0.68 N ATOM 1209 NH2 ARG B 12 17.995 14.194 11.400 1.00 0.68 N ATOM 0 H ARG B 12 11.437 12.471 10.671 1.00 0.57 H new ATOM 0 HA ARG B 12 13.281 12.875 8.365 1.00 0.55 H new ATOM 0 HB2 ARG B 12 12.806 10.344 9.965 1.00 0.57 H new ATOM 0 HB3 ARG B 12 14.171 10.736 8.938 1.00 0.57 H new ATOM 0 HG2 ARG B 12 13.554 11.863 11.696 1.00 0.60 H new ATOM 0 HG3 ARG B 12 14.915 10.862 11.232 1.00 0.60 H new ATOM 0 HD2 ARG B 12 15.675 12.720 9.676 1.00 0.61 H new ATOM 0 HD3 ARG B 12 14.381 13.720 10.306 1.00 0.61 H new ATOM 0 HE ARG B 12 15.486 13.699 12.515 1.00 0.65 H new ATOM 0 HH11 ARG B 12 17.185 11.172 12.140 1.00 0.68 H new ATOM 0 HH12 ARG B 12 18.788 11.857 11.851 1.00 0.68 H new ATOM 0 HH21 ARG B 12 17.576 15.114 11.267 1.00 0.68 H new ATOM 0 HH22 ARG B 12 19.008 14.084 11.358 1.00 0.68 H new ATOM 1223 N CYS B 13 11.971 11.392 6.766 1.00 0.50 N ATOM 1224 CA CYS B 13 11.152 10.619 5.814 1.00 0.48 C ATOM 1225 C CYS B 13 10.896 9.209 6.372 1.00 0.48 C ATOM 1226 O CYS B 13 11.701 8.678 7.135 1.00 0.49 O ATOM 1227 CB CYS B 13 11.889 10.515 4.481 1.00 0.47 C ATOM 1228 SG CYS B 13 11.850 12.044 3.473 1.00 0.48 S ATOM 0 H CYS B 13 12.824 11.783 6.367 1.00 0.50 H new ATOM 0 HA CYS B 13 10.197 11.124 5.666 1.00 0.48 H new ATOM 0 HB2 CYS B 13 12.928 10.248 4.674 1.00 0.47 H new ATOM 0 HB3 CYS B 13 11.453 9.701 3.901 1.00 0.47 H new ATOM 1233 N VAL B 14 9.760 8.630 5.986 1.00 0.46 N ATOM 1234 CA VAL B 14 9.408 7.250 6.409 1.00 0.46 C ATOM 1235 C VAL B 14 10.464 6.226 5.933 1.00 0.46 C ATOM 1236 O VAL B 14 10.706 5.205 6.569 1.00 0.47 O ATOM 1237 CB VAL B 14 7.963 6.883 5.998 1.00 0.45 C ATOM 1238 CG1 VAL B 14 7.710 6.802 4.489 1.00 0.43 C ATOM 1239 CG2 VAL B 14 7.504 5.571 6.641 1.00 0.46 C ATOM 0 H VAL B 14 9.066 9.078 5.388 1.00 0.46 H new ATOM 0 HA VAL B 14 9.426 7.213 7.498 1.00 0.46 H new ATOM 0 HB VAL B 14 7.377 7.722 6.372 1.00 0.45 H new ATOM 0 HG11 VAL B 14 6.668 6.539 4.308 1.00 0.43 H new ATOM 0 HG12 VAL B 14 7.925 7.768 4.032 1.00 0.43 H new ATOM 0 HG13 VAL B 14 8.357 6.042 4.052 1.00 0.43 H new ATOM 0 HG21 VAL B 14 6.484 5.349 6.327 1.00 0.46 H new ATOM 0 HG22 VAL B 14 8.164 4.762 6.328 1.00 0.46 H new ATOM 0 HG23 VAL B 14 7.537 5.667 7.726 1.00 0.46 H new ATOM 1249 N CYS B 15 11.066 6.542 4.789 1.00 0.45 N ATOM 1250 CA CYS B 15 12.116 5.741 4.145 1.00 0.45 C ATOM 1251 C CYS B 15 13.417 6.528 4.020 1.00 0.47 C ATOM 1252 O CYS B 15 13.512 7.466 3.229 1.00 0.47 O ATOM 1253 CB CYS B 15 11.677 5.342 2.741 1.00 0.43 C ATOM 1254 SG CYS B 15 10.403 4.047 2.743 1.00 0.42 S ATOM 0 H CYS B 15 10.833 7.386 4.266 1.00 0.45 H new ATOM 0 HA CYS B 15 12.281 4.861 4.767 1.00 0.45 H new ATOM 0 HB2 CYS B 15 11.295 6.221 2.221 1.00 0.43 H new ATOM 0 HB3 CYS B 15 12.544 4.992 2.180 1.00 0.43 H new ATOM 1259 N LEU B 16 14.357 6.186 4.891 1.00 0.49 N ATOM 1260 CA LEU B 16 15.710 6.773 4.838 1.00 0.52 C ATOM 1261 C LEU B 16 16.638 6.099 3.817 1.00 0.54 C ATOM 1262 O LEU B 16 17.473 6.753 3.184 1.00 0.55 O ATOM 1263 CB LEU B 16 16.345 6.787 6.231 1.00 0.55 C ATOM 1264 CG LEU B 16 15.609 7.710 7.212 1.00 0.55 C ATOM 1265 CD1 LEU B 16 16.255 7.611 8.594 1.00 0.58 C ATOM 1266 CD2 LEU B 16 15.610 9.171 6.739 1.00 0.54 C ATOM 0 H LEU B 16 14.219 5.510 5.642 1.00 0.49 H new ATOM 0 HA LEU B 16 15.583 7.798 4.490 1.00 0.52 H new ATOM 0 HB2 LEU B 16 16.354 5.773 6.631 1.00 0.55 H new ATOM 0 HB3 LEU B 16 17.384 7.107 6.148 1.00 0.55 H new ATOM 0 HG LEU B 16 14.571 7.382 7.262 1.00 0.55 H new ATOM 0 HD11 LEU B 16 15.731 8.267 9.289 1.00 0.58 H new ATOM 0 HD12 LEU B 16 16.195 6.583 8.951 1.00 0.58 H new ATOM 0 HD13 LEU B 16 17.301 7.912 8.529 1.00 0.58 H new ATOM 0 HD21 LEU B 16 15.078 9.788 7.463 1.00 0.54 H new ATOM 0 HD22 LEU B 16 16.638 9.523 6.647 1.00 0.54 H new ATOM 0 HD23 LEU B 16 15.115 9.240 5.771 1.00 0.54 H new ATOM 1278 N GLN B 17 16.455 4.807 3.646 1.00 0.53 N ATOM 1279 CA GLN B 17 17.239 3.959 2.742 1.00 0.55 C ATOM 1280 C GLN B 17 16.363 3.483 1.571 1.00 0.53 C ATOM 1281 O GLN B 17 15.173 3.784 1.486 1.00 0.50 O ATOM 1282 CB GLN B 17 17.853 2.772 3.511 1.00 0.58 C ATOM 1283 CG GLN B 17 16.861 1.702 4.003 1.00 0.56 C ATOM 1284 CD GLN B 17 15.937 2.142 5.147 1.00 0.55 C ATOM 1285 OE1 GLN B 17 16.009 3.198 5.753 1.00 0.55 O ATOM 1286 NE2 GLN B 17 15.015 1.280 5.496 1.00 0.54 N ATOM 0 H GLN B 17 15.732 4.289 4.146 1.00 0.53 H new ATOM 0 HA GLN B 17 18.062 4.543 2.330 1.00 0.55 H new ATOM 0 HB2 GLN B 17 18.588 2.289 2.868 1.00 0.58 H new ATOM 0 HB3 GLN B 17 18.392 3.163 4.374 1.00 0.58 H new ATOM 0 HG2 GLN B 17 16.245 1.387 3.161 1.00 0.56 H new ATOM 0 HG3 GLN B 17 17.426 0.829 4.329 1.00 0.56 H new ATOM 0 HE21 GLN B 17 14.936 0.390 5.003 1.00 0.54 H new ATOM 0 HE22 GLN B 17 14.376 1.498 6.260 1.00 0.54 H new ATOM 1295 N THR B 18 16.991 2.692 0.722 1.00 0.55 N ATOM 1296 CA THR B 18 16.342 2.094 -0.458 1.00 0.54 C ATOM 1297 C THR B 18 16.573 0.573 -0.513 1.00 0.55 C ATOM 1298 O THR B 18 17.174 -0.021 0.386 1.00 0.57 O ATOM 1299 CB THR B 18 16.855 2.833 -1.705 1.00 0.56 C ATOM 1300 OG1 THR B 18 16.122 2.371 -2.837 1.00 0.55 O ATOM 1301 CG2 THR B 18 18.362 2.680 -1.947 1.00 0.60 C ATOM 0 H THR B 18 17.974 2.437 0.821 1.00 0.55 H new ATOM 0 HA THR B 18 15.260 2.213 -0.404 1.00 0.54 H new ATOM 0 HB THR B 18 16.696 3.899 -1.539 1.00 0.56 H new ATOM 0 HG1 THR B 18 15.172 2.301 -2.605 1.00 0.55 H new ATOM 0 HG21 THR B 18 18.644 3.230 -2.845 1.00 0.60 H new ATOM 0 HG22 THR B 18 18.910 3.076 -1.092 1.00 0.60 H new ATOM 0 HG23 THR B 18 18.604 1.625 -2.077 1.00 0.60 H new ATOM 1309 N THR B 19 16.174 -0.031 -1.627 1.00 0.55 N ATOM 1310 CA THR B 19 16.288 -1.469 -1.916 1.00 0.57 C ATOM 1311 C THR B 19 16.253 -1.711 -3.435 1.00 0.58 C ATOM 1312 O THR B 19 15.668 -0.941 -4.206 1.00 0.57 O ATOM 1313 CB THR B 19 15.151 -2.237 -1.208 1.00 0.54 C ATOM 1314 OG1 THR B 19 15.214 -2.000 0.203 1.00 0.54 O ATOM 1315 CG2 THR B 19 15.196 -3.750 -1.424 1.00 0.56 C ATOM 0 H THR B 19 15.742 0.486 -2.393 1.00 0.55 H new ATOM 0 HA THR B 19 17.242 -1.837 -1.537 1.00 0.57 H new ATOM 0 HB THR B 19 14.226 -1.864 -1.648 1.00 0.54 H new ATOM 0 HG1 THR B 19 14.654 -1.228 0.430 1.00 0.54 H new ATOM 0 HG21 THR B 19 14.365 -4.218 -0.895 1.00 0.56 H new ATOM 0 HG22 THR B 19 15.117 -3.968 -2.489 1.00 0.56 H new ATOM 0 HG23 THR B 19 16.138 -4.144 -1.042 1.00 0.56 H new ATOM 1323 N GLN B 20 16.899 -2.803 -3.816 1.00 0.61 N ATOM 1324 CA GLN B 20 16.979 -3.310 -5.188 1.00 0.64 C ATOM 1325 C GLN B 20 16.582 -4.785 -5.282 1.00 0.64 C ATOM 1326 O GLN B 20 17.389 -5.701 -5.438 1.00 0.68 O ATOM 1327 CB GLN B 20 18.365 -3.032 -5.806 1.00 0.68 C ATOM 1328 CG GLN B 20 19.574 -3.736 -5.180 1.00 0.72 C ATOM 1329 CD GLN B 20 19.897 -3.336 -3.737 1.00 0.70 C ATOM 1330 OE1 GLN B 20 19.465 -2.353 -3.157 1.00 0.68 O ATOM 1331 NE2 GLN B 20 20.757 -4.108 -3.125 1.00 0.73 N ATOM 0 H GLN B 20 17.405 -3.389 -3.152 1.00 0.61 H new ATOM 0 HA GLN B 20 16.247 -2.762 -5.782 1.00 0.64 H new ATOM 0 HB2 GLN B 20 18.324 -3.307 -6.860 1.00 0.68 H new ATOM 0 HB3 GLN B 20 18.543 -1.957 -5.764 1.00 0.68 H new ATOM 0 HG2 GLN B 20 19.402 -4.812 -5.210 1.00 0.72 H new ATOM 0 HG3 GLN B 20 20.449 -3.536 -5.798 1.00 0.72 H new ATOM 0 HE21 GLN B 20 21.127 -4.933 -3.596 1.00 0.73 H new ATOM 0 HE22 GLN B 20 21.058 -3.885 -2.176 1.00 0.73 H new ATOM 1340 N GLY B 21 15.272 -4.988 -5.127 1.00 0.61 N ATOM 1341 CA GLY B 21 14.719 -6.327 -5.309 1.00 0.61 C ATOM 1342 C GLY B 21 14.438 -6.607 -6.802 1.00 0.63 C ATOM 1343 O GLY B 21 14.574 -5.695 -7.611 1.00 0.64 O ATOM 0 H GLY B 21 14.594 -4.266 -4.883 1.00 0.61 H new ATOM 0 HA2 GLY B 21 15.416 -7.069 -4.920 1.00 0.61 H new ATOM 0 HA3 GLY B 21 13.797 -6.425 -4.736 1.00 0.61 H new ATOM 1347 N VAL B 22 13.881 -7.738 -7.216 1.00 0.64 N ATOM 1348 CA VAL B 22 13.248 -8.929 -6.571 1.00 0.63 C ATOM 1349 C VAL B 22 12.001 -9.269 -7.415 1.00 0.62 C ATOM 1350 O VAL B 22 11.752 -8.645 -8.442 1.00 0.63 O ATOM 1351 CB VAL B 22 12.891 -8.789 -5.061 1.00 0.60 C ATOM 1352 CG1 VAL B 22 11.714 -7.847 -4.754 1.00 0.56 C ATOM 1353 CG2 VAL B 22 12.774 -10.138 -4.341 1.00 0.61 C ATOM 0 H VAL B 22 13.850 -7.885 -8.225 1.00 0.64 H new ATOM 0 HA VAL B 22 13.986 -9.731 -6.560 1.00 0.63 H new ATOM 0 HB VAL B 22 13.758 -8.283 -4.636 1.00 0.60 H new ATOM 0 HG11 VAL B 22 11.543 -7.817 -3.678 1.00 0.56 H new ATOM 0 HG12 VAL B 22 11.947 -6.845 -5.113 1.00 0.56 H new ATOM 0 HG13 VAL B 22 10.816 -8.212 -5.253 1.00 0.56 H new ATOM 0 HG21 VAL B 22 12.524 -9.971 -3.293 1.00 0.61 H new ATOM 0 HG22 VAL B 22 11.992 -10.734 -4.810 1.00 0.61 H new ATOM 0 HG23 VAL B 22 13.724 -10.669 -4.407 1.00 0.61 H new ATOM 1363 N HIS B 23 11.183 -10.204 -6.944 1.00 0.61 N ATOM 1364 CA HIS B 23 9.916 -10.535 -7.600 1.00 0.61 C ATOM 1365 C HIS B 23 8.736 -10.235 -6.653 1.00 0.57 C ATOM 1366 O HIS B 23 8.837 -10.505 -5.449 1.00 0.56 O ATOM 1367 CB HIS B 23 9.949 -12.006 -8.031 1.00 0.64 C ATOM 1368 CG HIS B 23 8.790 -12.349 -8.971 1.00 0.64 C ATOM 1369 ND1 HIS B 23 7.538 -12.573 -8.587 1.00 0.63 N ATOM 1370 CD2 HIS B 23 8.844 -12.514 -10.288 1.00 0.67 C ATOM 1371 CE1 HIS B 23 6.816 -12.890 -9.660 1.00 0.65 C ATOM 1372 NE2 HIS B 23 7.626 -12.852 -10.710 1.00 0.68 N ATOM 0 H HIS B 23 11.374 -10.751 -6.105 1.00 0.61 H new ATOM 0 HA HIS B 23 9.777 -9.921 -8.490 1.00 0.61 H new ATOM 0 HB2 HIS B 23 10.895 -12.218 -8.528 1.00 0.64 H new ATOM 0 HB3 HIS B 23 9.903 -12.644 -7.149 1.00 0.64 H new ATOM 0 HD2 HIS B 23 9.721 -12.395 -10.908 1.00 0.67 H new ATOM 0 HE1 HIS B 23 5.764 -13.133 -9.673 1.00 0.65 H new ATOM 0 HE2 HIS B 23 7.362 -13.048 -11.675 1.00 0.68 H new ATOM 1380 N PRO B 24 7.616 -9.752 -7.218 1.00 0.57 N ATOM 1381 CA PRO B 24 6.344 -9.518 -6.505 1.00 0.55 C ATOM 1382 C PRO B 24 5.879 -10.736 -5.710 1.00 0.55 C ATOM 1383 O PRO B 24 5.101 -10.581 -4.778 1.00 0.53 O ATOM 1384 CB PRO B 24 5.304 -9.312 -7.597 1.00 0.56 C ATOM 1385 CG PRO B 24 6.099 -8.704 -8.738 1.00 0.58 C ATOM 1386 CD PRO B 24 7.466 -9.365 -8.637 1.00 0.59 C ATOM 0 HA PRO B 24 6.473 -8.684 -5.815 1.00 0.55 H new ATOM 0 HB2 PRO B 24 4.838 -10.253 -7.890 1.00 0.56 H new ATOM 0 HB3 PRO B 24 4.504 -8.649 -7.268 1.00 0.56 H new ATOM 0 HG2 PRO B 24 5.630 -8.905 -9.701 1.00 0.58 H new ATOM 0 HG3 PRO B 24 6.172 -7.621 -8.639 1.00 0.58 H new ATOM 0 HD2 PRO B 24 7.530 -10.236 -9.290 1.00 0.59 H new ATOM 0 HD3 PRO B 24 8.257 -8.679 -8.942 1.00 0.59 H new ATOM 1394 N LYS B 25 6.356 -11.922 -6.084 1.00 0.57 N ATOM 1395 CA LYS B 25 6.026 -13.196 -5.431 1.00 0.58 C ATOM 1396 C LYS B 25 6.238 -13.157 -3.908 1.00 0.56 C ATOM 1397 O LYS B 25 5.521 -13.812 -3.162 1.00 0.57 O ATOM 1398 CB LYS B 25 6.898 -14.295 -6.040 1.00 0.61 C ATOM 1399 CG LYS B 25 6.096 -15.587 -6.178 1.00 0.62 C ATOM 1400 CD LYS B 25 6.906 -16.724 -6.806 1.00 0.66 C ATOM 1401 CE LYS B 25 7.991 -17.244 -5.864 1.00 0.67 C ATOM 1402 NZ LYS B 25 7.916 -18.705 -5.776 1.00 0.69 N ATOM 0 H LYS B 25 6.999 -12.031 -6.868 1.00 0.57 H new ATOM 0 HA LYS B 25 4.967 -13.393 -5.598 1.00 0.58 H new ATOM 0 HB2 LYS B 25 7.264 -13.979 -7.017 1.00 0.61 H new ATOM 0 HB3 LYS B 25 7.772 -14.466 -5.412 1.00 0.61 H new ATOM 0 HG2 LYS B 25 5.744 -15.898 -5.194 1.00 0.62 H new ATOM 0 HG3 LYS B 25 5.212 -15.397 -6.787 1.00 0.62 H new ATOM 0 HD2 LYS B 25 6.236 -17.541 -7.073 1.00 0.66 H new ATOM 0 HD3 LYS B 25 7.366 -16.374 -7.730 1.00 0.66 H new ATOM 0 HE2 LYS B 25 8.974 -16.943 -6.226 1.00 0.67 H new ATOM 0 HE3 LYS B 25 7.867 -16.804 -4.874 1.00 0.67 H new ATOM 0 HZ1 LYS B 25 8.657 -19.053 -5.134 1.00 0.69 H new ATOM 0 HZ2 LYS B 25 6.983 -18.983 -5.411 1.00 0.69 H new ATOM 0 HZ3 LYS B 25 8.055 -19.117 -6.721 1.00 0.69 H new ATOM 1416 N MET B 26 7.180 -12.316 -3.481 1.00 0.55 N ATOM 1417 CA MET B 26 7.462 -12.073 -2.053 1.00 0.55 C ATOM 1418 C MET B 26 6.605 -10.953 -1.440 1.00 0.52 C ATOM 1419 O MET B 26 6.476 -10.846 -0.216 1.00 0.52 O ATOM 1420 CB MET B 26 8.955 -11.787 -1.861 1.00 0.57 C ATOM 1421 CG MET B 26 9.827 -13.023 -2.125 1.00 0.64 C ATOM 1422 SD MET B 26 9.615 -14.373 -0.905 1.00 0.75 S ATOM 1423 CE MET B 26 8.799 -15.622 -1.877 1.00 0.95 C ATOM 0 H MET B 26 7.775 -11.779 -4.112 1.00 0.55 H new ATOM 0 HA MET B 26 7.188 -12.981 -1.516 1.00 0.55 H new ATOM 0 HB2 MET B 26 9.257 -10.983 -2.532 1.00 0.57 H new ATOM 0 HB3 MET B 26 9.127 -11.435 -0.844 1.00 0.57 H new ATOM 0 HG2 MET B 26 9.598 -13.408 -3.119 1.00 0.64 H new ATOM 0 HG3 MET B 26 10.874 -12.719 -2.134 1.00 0.64 H new ATOM 0 HE1 MET B 26 8.610 -16.499 -1.258 1.00 0.95 H new ATOM 0 HE2 MET B 26 7.853 -15.231 -2.251 1.00 0.95 H new ATOM 0 HE3 MET B 26 9.434 -15.901 -2.718 1.00 0.95 H new ATOM 1433 N ILE B 27 6.044 -10.101 -2.291 1.00 0.50 N ATOM 1434 CA ILE B 27 5.226 -8.973 -1.838 1.00 0.48 C ATOM 1435 C ILE B 27 3.740 -9.341 -1.776 1.00 0.49 C ATOM 1436 O ILE B 27 3.254 -10.138 -2.578 1.00 0.56 O ATOM 1437 CB ILE B 27 5.407 -7.750 -2.773 1.00 0.52 C ATOM 1438 CG1 ILE B 27 6.888 -7.554 -3.133 1.00 0.56 C ATOM 1439 CG2 ILE B 27 4.839 -6.489 -2.131 1.00 0.53 C ATOM 1440 CD1 ILE B 27 7.780 -7.242 -1.947 1.00 0.58 C ATOM 0 H ILE B 27 6.139 -10.168 -3.304 1.00 0.50 H new ATOM 0 HA ILE B 27 5.565 -8.718 -0.834 1.00 0.48 H new ATOM 0 HB ILE B 27 4.855 -7.943 -3.693 1.00 0.52 H new ATOM 0 HG12 ILE B 27 7.254 -8.457 -3.621 1.00 0.56 H new ATOM 0 HG13 ILE B 27 6.970 -6.744 -3.858 1.00 0.56 H new ATOM 0 HG21 ILE B 27 4.977 -5.644 -2.805 1.00 0.53 H new ATOM 0 HG22 ILE B 27 3.776 -6.627 -1.936 1.00 0.53 H new ATOM 0 HG23 ILE B 27 5.358 -6.293 -1.193 1.00 0.53 H new ATOM 0 HD11 ILE B 27 8.808 -7.118 -2.287 1.00 0.58 H new ATOM 0 HD12 ILE B 27 7.443 -6.322 -1.470 1.00 0.58 H new ATOM 0 HD13 ILE B 27 7.731 -8.061 -1.230 1.00 0.58 H new ATOM 1452 N SER B 28 3.024 -8.753 -0.814 1.00 0.47 N ATOM 1453 CA SER B 28 1.596 -9.011 -0.645 1.00 0.54 C ATOM 1454 C SER B 28 0.861 -7.746 -0.195 1.00 0.55 C ATOM 1455 O SER B 28 -0.332 -7.789 0.107 1.00 0.70 O ATOM 1456 CB SER B 28 1.377 -10.133 0.377 1.00 0.61 C ATOM 1457 OG SER B 28 1.992 -11.342 -0.040 1.00 0.68 O ATOM 0 H SER B 28 3.413 -8.094 -0.140 1.00 0.47 H new ATOM 0 HA SER B 28 1.192 -9.321 -1.609 1.00 0.54 H new ATOM 0 HB2 SER B 28 1.782 -9.831 1.343 1.00 0.61 H new ATOM 0 HB3 SER B 28 0.308 -10.296 0.517 1.00 0.61 H new ATOM 0 HG SER B 28 1.588 -12.096 0.438 1.00 0.68 H new ATOM 1463 N ASN B 29 1.581 -6.622 -0.159 1.00 0.49 N ATOM 1464 CA ASN B 29 1.004 -5.340 0.256 1.00 0.50 C ATOM 1465 C ASN B 29 1.926 -4.179 -0.124 1.00 0.49 C ATOM 1466 O ASN B 29 3.137 -4.239 0.086 1.00 0.49 O ATOM 1467 CB ASN B 29 0.751 -5.342 1.773 1.00 0.54 C ATOM 1468 CG ASN B 29 0.522 -3.953 2.344 1.00 0.58 C ATOM 1469 OD1 ASN B 29 -0.563 -3.386 2.218 1.00 0.67 O ATOM 1470 ND2 ASN B 29 1.544 -3.404 2.989 1.00 0.83 N ATOM 0 H ASN B 29 2.568 -6.573 -0.413 1.00 0.49 H new ATOM 0 HA ASN B 29 0.055 -5.206 -0.263 1.00 0.50 H new ATOM 0 HB2 ASN B 29 -0.118 -5.964 1.989 1.00 0.54 H new ATOM 0 HB3 ASN B 29 1.603 -5.799 2.276 1.00 0.54 H new ATOM 0 HD21 ASN B 29 1.447 -2.477 3.404 1.00 0.83 H new ATOM 0 HD22 ASN B 29 2.426 -3.909 3.070 1.00 0.83 H new ATOM 1477 N LEU B 30 1.339 -3.127 -0.690 1.00 0.53 N ATOM 1478 CA LEU B 30 2.089 -1.945 -1.094 1.00 0.55 C ATOM 1479 C LEU B 30 1.543 -0.701 -0.394 1.00 0.56 C ATOM 1480 O LEU B 30 0.359 -0.628 -0.086 1.00 0.75 O ATOM 1481 CB LEU B 30 2.020 -1.766 -2.615 1.00 0.60 C ATOM 1482 CG LEU B 30 2.874 -0.628 -3.179 1.00 0.69 C ATOM 1483 CD1 LEU B 30 4.342 -1.021 -3.201 1.00 0.74 C ATOM 1484 CD2 LEU B 30 2.400 -0.242 -4.572 1.00 0.75 C ATOM 0 H LEU B 30 0.338 -3.072 -0.879 1.00 0.53 H new ATOM 0 HA LEU B 30 3.130 -2.081 -0.802 1.00 0.55 H new ATOM 0 HB2 LEU B 30 2.328 -2.698 -3.088 1.00 0.60 H new ATOM 0 HB3 LEU B 30 0.981 -1.593 -2.897 1.00 0.60 H new ATOM 0 HG LEU B 30 2.762 0.239 -2.528 1.00 0.69 H new ATOM 0 HD11 LEU B 30 4.933 -0.199 -3.605 1.00 0.74 H new ATOM 0 HD12 LEU B 30 4.675 -1.242 -2.187 1.00 0.74 H new ATOM 0 HD13 LEU B 30 4.473 -1.904 -3.827 1.00 0.74 H new ATOM 0 HD21 LEU B 30 3.020 0.569 -4.956 1.00 0.75 H new ATOM 0 HD22 LEU B 30 2.478 -1.104 -5.235 1.00 0.75 H new ATOM 0 HD23 LEU B 30 1.362 0.086 -4.525 1.00 0.75 H new ATOM 1496 N GLN B 31 2.417 0.266 -0.134 1.00 0.50 N ATOM 1497 CA GLN B 31 2.020 1.510 0.522 1.00 0.50 C ATOM 1498 C GLN B 31 2.715 2.705 -0.127 1.00 0.51 C ATOM 1499 O GLN B 31 3.940 2.738 -0.236 1.00 0.60 O ATOM 1500 CB GLN B 31 2.354 1.464 2.017 1.00 0.53 C ATOM 1501 CG GLN B 31 1.543 0.450 2.811 1.00 0.57 C ATOM 1502 CD GLN B 31 2.219 0.049 4.107 1.00 0.75 C ATOM 1503 OE1 GLN B 31 3.006 -0.896 4.142 1.00 1.08 O ATOM 1504 NE2 GLN B 31 1.915 0.766 5.183 1.00 1.01 N ATOM 0 H GLN B 31 3.408 0.213 -0.368 1.00 0.50 H new ATOM 0 HA GLN B 31 0.942 1.623 0.406 1.00 0.50 H new ATOM 0 HB2 GLN B 31 3.413 1.235 2.133 1.00 0.53 H new ATOM 0 HB3 GLN B 31 2.193 2.454 2.444 1.00 0.53 H new ATOM 0 HG2 GLN B 31 0.561 0.869 3.032 1.00 0.57 H new ATOM 0 HG3 GLN B 31 1.381 -0.438 2.200 1.00 0.57 H new ATOM 0 HE21 GLN B 31 1.257 1.542 5.110 1.00 1.01 H new ATOM 0 HE22 GLN B 31 2.340 0.541 6.083 1.00 1.01 H new ATOM 1513 N VAL B 32 1.924 3.678 -0.561 1.00 0.49 N ATOM 1514 CA VAL B 32 2.451 4.877 -1.205 1.00 0.51 C ATOM 1515 C VAL B 32 2.272 6.097 -0.305 1.00 0.49 C ATOM 1516 O VAL B 32 1.269 6.215 0.399 1.00 0.61 O ATOM 1517 CB VAL B 32 1.760 5.144 -2.561 1.00 0.56 C ATOM 1518 CG1 VAL B 32 2.574 6.119 -3.399 1.00 0.61 C ATOM 1519 CG2 VAL B 32 1.534 3.845 -3.321 1.00 0.59 C ATOM 0 H VAL B 32 0.908 3.661 -0.478 1.00 0.49 H new ATOM 0 HA VAL B 32 3.513 4.704 -1.381 1.00 0.51 H new ATOM 0 HB VAL B 32 0.788 5.594 -2.360 1.00 0.56 H new ATOM 0 HG11 VAL B 32 2.069 6.292 -4.349 1.00 0.61 H new ATOM 0 HG12 VAL B 32 2.674 7.063 -2.864 1.00 0.61 H new ATOM 0 HG13 VAL B 32 3.563 5.701 -3.585 1.00 0.61 H new ATOM 0 HG21 VAL B 32 1.046 4.060 -4.272 1.00 0.59 H new ATOM 0 HG22 VAL B 32 2.493 3.360 -3.506 1.00 0.59 H new ATOM 0 HG23 VAL B 32 0.901 3.183 -2.730 1.00 0.59 H new ATOM 1529 N PHE B 33 3.249 6.997 -0.335 1.00 0.48 N ATOM 1530 CA PHE B 33 3.216 8.210 0.475 1.00 0.48 C ATOM 1531 C PHE B 33 3.527 9.435 -0.384 1.00 0.50 C ATOM 1532 O PHE B 33 4.450 9.408 -1.198 1.00 0.56 O ATOM 1533 CB PHE B 33 4.242 8.122 1.614 1.00 0.53 C ATOM 1534 CG PHE B 33 3.911 7.110 2.679 1.00 0.57 C ATOM 1535 CD1 PHE B 33 4.348 5.798 2.572 1.00 0.65 C ATOM 1536 CD2 PHE B 33 3.173 7.476 3.793 1.00 0.70 C ATOM 1537 CE1 PHE B 33 4.053 4.872 3.554 1.00 0.78 C ATOM 1538 CE2 PHE B 33 2.874 6.554 4.778 1.00 0.85 C ATOM 1539 CZ PHE B 33 3.315 5.250 4.659 1.00 0.86 C ATOM 0 H PHE B 33 4.081 6.908 -0.918 1.00 0.48 H new ATOM 0 HA PHE B 33 2.215 8.307 0.895 1.00 0.48 H new ATOM 0 HB2 PHE B 33 5.216 7.878 1.190 1.00 0.53 H new ATOM 0 HB3 PHE B 33 4.334 9.103 2.080 1.00 0.53 H new ATOM 0 HD1 PHE B 33 4.926 5.497 1.711 1.00 0.65 H new ATOM 0 HD2 PHE B 33 2.827 8.494 3.893 1.00 0.70 H new ATOM 0 HE1 PHE B 33 4.399 3.853 3.458 1.00 0.78 H new ATOM 0 HE2 PHE B 33 2.296 6.852 5.640 1.00 0.85 H new ATOM 0 HZ PHE B 33 3.083 4.528 5.428 1.00 0.86 H new ATOM 1549 N ALA B 34 2.756 10.506 -0.205 1.00 0.50 N ATOM 1550 CA ALA B 34 2.979 11.736 -0.963 1.00 0.55 C ATOM 1551 C ALA B 34 3.760 12.757 -0.133 1.00 0.54 C ATOM 1552 O ALA B 34 4.455 12.394 0.819 1.00 0.58 O ATOM 1553 CB ALA B 34 1.653 12.322 -1.427 1.00 0.61 C ATOM 0 H ALA B 34 1.977 10.548 0.453 1.00 0.50 H new ATOM 0 HA ALA B 34 3.576 11.491 -1.842 1.00 0.55 H new ATOM 0 HB1 ALA B 34 1.837 13.237 -1.990 1.00 0.61 H new ATOM 0 HB2 ALA B 34 1.140 11.601 -2.064 1.00 0.61 H new ATOM 0 HB3 ALA B 34 1.032 12.548 -0.560 1.00 0.61 H new ATOM 1559 N ILE B 35 3.645 14.030 -0.503 1.00 0.60 N ATOM 1560 CA ILE B 35 4.337 15.109 0.199 1.00 0.63 C ATOM 1561 C ILE B 35 3.690 15.386 1.559 1.00 0.59 C ATOM 1562 O ILE B 35 2.484 15.617 1.650 1.00 0.63 O ATOM 1563 CB ILE B 35 4.339 16.407 -0.640 1.00 0.75 C ATOM 1564 CG1 ILE B 35 4.951 16.148 -2.020 1.00 0.90 C ATOM 1565 CG2 ILE B 35 5.097 17.517 0.080 1.00 0.77 C ATOM 1566 CD1 ILE B 35 4.807 17.310 -2.980 1.00 1.10 C ATOM 0 H ILE B 35 3.076 14.341 -1.290 1.00 0.60 H new ATOM 0 HA ILE B 35 5.366 14.784 0.354 1.00 0.63 H new ATOM 0 HB ILE B 35 3.307 16.731 -0.772 1.00 0.75 H new ATOM 0 HG12 ILE B 35 6.009 15.917 -1.900 1.00 0.90 H new ATOM 0 HG13 ILE B 35 4.480 15.267 -2.457 1.00 0.90 H new ATOM 0 HG21 ILE B 35 5.085 18.420 -0.530 1.00 0.77 H new ATOM 0 HG22 ILE B 35 4.621 17.720 1.039 1.00 0.77 H new ATOM 0 HG23 ILE B 35 6.128 17.205 0.246 1.00 0.77 H new ATOM 0 HD11 ILE B 35 5.264 17.052 -3.935 1.00 1.10 H new ATOM 0 HD12 ILE B 35 3.750 17.528 -3.131 1.00 1.10 H new ATOM 0 HD13 ILE B 35 5.303 18.188 -2.566 1.00 1.10 H new ATOM 1578 N GLY B 36 4.505 15.354 2.612 1.00 0.58 N ATOM 1579 CA GLY B 36 4.006 15.603 3.952 1.00 0.59 C ATOM 1580 C GLY B 36 4.927 16.506 4.755 1.00 0.63 C ATOM 1581 O GLY B 36 5.843 17.114 4.196 1.00 0.63 O ATOM 0 H GLY B 36 5.505 15.159 2.559 1.00 0.58 H new ATOM 0 HA2 GLY B 36 3.018 16.059 3.890 1.00 0.59 H new ATOM 0 HA3 GLY B 36 3.886 14.654 4.474 1.00 0.59 H new ATOM 1585 N PRO B 37 4.706 16.618 6.078 1.00 0.67 N ATOM 1586 CA PRO B 37 5.526 17.453 6.963 1.00 0.73 C ATOM 1587 C PRO B 37 6.858 16.796 7.331 1.00 0.71 C ATOM 1588 O PRO B 37 7.722 17.427 7.938 1.00 0.77 O ATOM 1589 CB PRO B 37 4.652 17.615 8.221 1.00 0.79 C ATOM 1590 CG PRO B 37 3.351 16.941 7.919 1.00 0.77 C ATOM 1591 CD PRO B 37 3.629 15.958 6.821 1.00 0.69 C ATOM 0 HA PRO B 37 5.796 18.395 6.484 1.00 0.73 H new ATOM 0 HB2 PRO B 37 5.132 17.162 9.089 1.00 0.79 H new ATOM 0 HB3 PRO B 37 4.499 18.669 8.455 1.00 0.79 H new ATOM 0 HG2 PRO B 37 2.961 16.436 8.803 1.00 0.77 H new ATOM 0 HG3 PRO B 37 2.600 17.667 7.609 1.00 0.77 H new ATOM 0 HD2 PRO B 37 3.939 14.989 7.212 1.00 0.69 H new ATOM 0 HD3 PRO B 37 2.752 15.785 6.198 1.00 0.69 H new ATOM 1599 N GLN B 38 7.016 15.529 6.958 1.00 0.65 N ATOM 1600 CA GLN B 38 8.246 14.781 7.262 1.00 0.65 C ATOM 1601 C GLN B 38 9.077 14.455 6.010 1.00 0.61 C ATOM 1602 O GLN B 38 10.258 14.132 6.105 1.00 0.63 O ATOM 1603 CB GLN B 38 7.877 13.499 8.020 1.00 0.65 C ATOM 1604 CG GLN B 38 7.006 12.526 7.218 1.00 0.59 C ATOM 1605 CD GLN B 38 6.688 11.287 8.048 1.00 0.63 C ATOM 1606 OE1 GLN B 38 6.053 11.336 9.087 1.00 0.71 O ATOM 1607 NE2 GLN B 38 7.088 10.144 7.545 1.00 0.61 N ATOM 0 H GLN B 38 6.314 14.995 6.446 1.00 0.65 H new ATOM 0 HA GLN B 38 8.878 15.416 7.883 1.00 0.65 H new ATOM 0 HB2 GLN B 38 8.793 12.989 8.317 1.00 0.65 H new ATOM 0 HB3 GLN B 38 7.352 13.770 8.936 1.00 0.65 H new ATOM 0 HG2 GLN B 38 6.081 13.018 6.919 1.00 0.59 H new ATOM 0 HG3 GLN B 38 7.522 12.236 6.303 1.00 0.59 H new ATOM 0 HE21 GLN B 38 7.618 10.128 6.674 1.00 0.61 H new ATOM 0 HE22 GLN B 38 6.869 9.271 8.025 1.00 0.61 H new ATOM 1616 N CYS B 39 8.424 14.472 4.851 1.00 0.56 N ATOM 1617 CA CYS B 39 9.087 14.128 3.598 1.00 0.54 C ATOM 1618 C CYS B 39 8.547 14.959 2.438 1.00 0.59 C ATOM 1619 O CYS B 39 7.396 15.391 2.456 1.00 0.67 O ATOM 1620 CB CYS B 39 8.878 12.636 3.310 1.00 0.48 C ATOM 1621 SG CYS B 39 10.193 11.859 2.316 1.00 0.47 S ATOM 0 H CYS B 39 7.439 14.720 4.754 1.00 0.56 H new ATOM 0 HA CYS B 39 10.151 14.344 3.698 1.00 0.54 H new ATOM 0 HB2 CYS B 39 8.797 12.105 4.258 1.00 0.48 H new ATOM 0 HB3 CYS B 39 7.927 12.510 2.792 1.00 0.48 H new ATOM 1626 N SER B 40 9.383 15.169 1.429 1.00 0.64 N ATOM 1627 CA SER B 40 8.990 15.937 0.253 1.00 0.73 C ATOM 1628 C SER B 40 9.279 15.140 -1.019 1.00 0.72 C ATOM 1629 O SER B 40 9.489 15.708 -2.092 1.00 1.00 O ATOM 1630 CB SER B 40 9.735 17.276 0.226 1.00 0.87 C ATOM 1631 OG SER B 40 9.133 18.182 -0.682 1.00 1.01 O ATOM 0 H SER B 40 10.340 14.817 1.401 1.00 0.64 H new ATOM 0 HA SER B 40 7.919 16.135 0.302 1.00 0.73 H new ATOM 0 HB2 SER B 40 9.742 17.711 1.226 1.00 0.87 H new ATOM 0 HB3 SER B 40 10.774 17.111 -0.057 1.00 0.87 H new ATOM 0 HG SER B 40 9.040 17.754 -1.559 1.00 1.01 H new ATOM 1637 N LYS B 41 9.272 13.816 -0.888 1.00 0.66 N ATOM 1638 CA LYS B 41 9.543 12.927 -2.012 1.00 0.64 C ATOM 1639 C LYS B 41 8.639 11.695 -1.964 1.00 0.61 C ATOM 1640 O LYS B 41 8.319 11.191 -0.885 1.00 0.61 O ATOM 1641 CB LYS B 41 11.014 12.495 -1.983 1.00 0.64 C ATOM 1642 CG LYS B 41 11.414 11.595 -3.142 1.00 0.71 C ATOM 1643 CD LYS B 41 12.773 10.954 -2.905 1.00 0.81 C ATOM 1644 CE LYS B 41 13.109 9.945 -3.991 1.00 0.97 C ATOM 1645 NZ LYS B 41 14.359 9.194 -3.688 1.00 1.16 N ATOM 0 H LYS B 41 9.080 13.334 -0.010 1.00 0.66 H new ATOM 0 HA LYS B 41 9.338 13.466 -2.937 1.00 0.64 H new ATOM 0 HB2 LYS B 41 11.644 13.384 -1.992 1.00 0.64 H new ATOM 0 HB3 LYS B 41 11.211 11.974 -1.046 1.00 0.64 H new ATOM 0 HG2 LYS B 41 10.662 10.817 -3.277 1.00 0.71 H new ATOM 0 HG3 LYS B 41 11.440 12.176 -4.064 1.00 0.71 H new ATOM 0 HD2 LYS B 41 13.541 11.727 -2.875 1.00 0.81 H new ATOM 0 HD3 LYS B 41 12.779 10.460 -1.933 1.00 0.81 H new ATOM 0 HE2 LYS B 41 12.282 9.243 -4.102 1.00 0.97 H new ATOM 0 HE3 LYS B 41 13.219 10.462 -4.944 1.00 0.97 H new ATOM 0 HZ1 LYS B 41 14.378 8.314 -4.242 1.00 1.16 H new ATOM 0 HZ2 LYS B 41 15.183 9.777 -3.936 1.00 1.16 H new ATOM 0 HZ3 LYS B 41 14.389 8.965 -2.674 1.00 1.16 H new ATOM 1659 N VAL B 42 8.227 11.219 -3.139 1.00 0.61 N ATOM 1660 CA VAL B 42 7.377 10.037 -3.231 1.00 0.62 C ATOM 1661 C VAL B 42 8.206 8.765 -3.056 1.00 0.60 C ATOM 1662 O VAL B 42 9.193 8.548 -3.762 1.00 0.68 O ATOM 1663 CB VAL B 42 6.610 9.977 -4.571 1.00 0.68 C ATOM 1664 CG1 VAL B 42 5.450 10.959 -4.559 1.00 0.72 C ATOM 1665 CG2 VAL B 42 7.536 10.258 -5.749 1.00 0.78 C ATOM 0 H VAL B 42 8.469 11.635 -4.038 1.00 0.61 H new ATOM 0 HA VAL B 42 6.644 10.108 -2.427 1.00 0.62 H new ATOM 0 HB VAL B 42 6.215 8.968 -4.690 1.00 0.68 H new ATOM 0 HG11 VAL B 42 4.919 10.906 -5.509 1.00 0.72 H new ATOM 0 HG12 VAL B 42 4.768 10.706 -3.747 1.00 0.72 H new ATOM 0 HG13 VAL B 42 5.830 11.970 -4.412 1.00 0.72 H new ATOM 0 HG21 VAL B 42 6.968 10.209 -6.678 1.00 0.78 H new ATOM 0 HG22 VAL B 42 7.970 11.252 -5.641 1.00 0.78 H new ATOM 0 HG23 VAL B 42 8.333 9.514 -5.771 1.00 0.78 H new ATOM 1675 N GLU B 43 7.809 7.934 -2.096 1.00 0.56 N ATOM 1676 CA GLU B 43 8.525 6.696 -1.806 1.00 0.54 C ATOM 1677 C GLU B 43 7.542 5.535 -1.694 1.00 0.53 C ATOM 1678 O GLU B 43 6.541 5.626 -0.981 1.00 0.57 O ATOM 1679 CB GLU B 43 9.330 6.842 -0.510 1.00 0.54 C ATOM 1680 CG GLU B 43 10.094 8.155 -0.423 1.00 0.61 C ATOM 1681 CD GLU B 43 10.996 8.238 0.787 1.00 0.68 C ATOM 1682 OE1 GLU B 43 10.480 8.179 1.921 1.00 0.80 O ATOM 1683 OE2 GLU B 43 12.218 8.376 0.598 1.00 0.77 O ATOM 0 H GLU B 43 6.994 8.096 -1.505 1.00 0.56 H new ATOM 0 HA GLU B 43 9.217 6.489 -2.623 1.00 0.54 H new ATOM 0 HB2 GLU B 43 8.653 6.766 0.341 1.00 0.54 H new ATOM 0 HB3 GLU B 43 10.034 6.014 -0.432 1.00 0.54 H new ATOM 0 HG2 GLU B 43 10.694 8.280 -1.325 1.00 0.61 H new ATOM 0 HG3 GLU B 43 9.383 8.981 -0.396 1.00 0.61 H new ATOM 1690 N VAL B 44 7.829 4.444 -2.400 1.00 0.51 N ATOM 1691 CA VAL B 44 6.949 3.279 -2.384 1.00 0.51 C ATOM 1692 C VAL B 44 7.459 2.180 -1.459 1.00 0.49 C ATOM 1693 O VAL B 44 8.432 1.487 -1.752 1.00 0.53 O ATOM 1694 CB VAL B 44 6.732 2.695 -3.798 1.00 0.55 C ATOM 1695 CG1 VAL B 44 5.665 3.481 -4.543 1.00 0.60 C ATOM 1696 CG2 VAL B 44 8.026 2.682 -4.591 1.00 0.59 C ATOM 0 H VAL B 44 8.658 4.342 -2.986 1.00 0.51 H new ATOM 0 HA VAL B 44 5.994 3.640 -2.001 1.00 0.51 H new ATOM 0 HB VAL B 44 6.394 1.665 -3.685 1.00 0.55 H new ATOM 0 HG11 VAL B 44 5.526 3.055 -5.537 1.00 0.60 H new ATOM 0 HG12 VAL B 44 4.726 3.431 -3.992 1.00 0.60 H new ATOM 0 HG13 VAL B 44 5.977 4.521 -4.635 1.00 0.60 H new ATOM 0 HG21 VAL B 44 7.842 2.266 -5.581 1.00 0.59 H new ATOM 0 HG22 VAL B 44 8.403 3.700 -4.690 1.00 0.59 H new ATOM 0 HG23 VAL B 44 8.764 2.071 -4.072 1.00 0.59 H new ATOM 1706 N VAL B 45 6.790 2.045 -0.329 1.00 0.47 N ATOM 1707 CA VAL B 45 7.116 1.012 0.677 1.00 0.46 C ATOM 1708 C VAL B 45 6.260 -0.256 0.457 1.00 0.48 C ATOM 1709 O VAL B 45 5.198 -0.238 -0.169 1.00 0.51 O ATOM 1710 CB VAL B 45 7.038 1.544 2.128 1.00 0.46 C ATOM 1711 CG1 VAL B 45 7.244 3.042 2.203 1.00 0.61 C ATOM 1712 CG2 VAL B 45 5.687 1.446 2.795 1.00 0.62 C ATOM 0 H VAL B 45 6.004 2.640 -0.069 1.00 0.47 H new ATOM 0 HA VAL B 45 8.159 0.731 0.532 1.00 0.46 H new ATOM 0 HB VAL B 45 7.796 0.923 2.606 1.00 0.46 H new ATOM 0 HG11 VAL B 45 7.180 3.367 3.242 1.00 0.61 H new ATOM 0 HG12 VAL B 45 8.226 3.295 1.804 1.00 0.61 H new ATOM 0 HG13 VAL B 45 6.474 3.545 1.618 1.00 0.61 H new ATOM 0 HG21 VAL B 45 5.751 1.847 3.806 1.00 0.62 H new ATOM 0 HG22 VAL B 45 4.956 2.018 2.223 1.00 0.62 H new ATOM 0 HG23 VAL B 45 5.377 0.402 2.838 1.00 0.62 H new ATOM 1722 N ALA B 46 6.826 -1.388 0.829 1.00 0.48 N ATOM 1723 CA ALA B 46 6.151 -2.695 0.694 1.00 0.51 C ATOM 1724 C ALA B 46 6.420 -3.585 1.910 1.00 0.51 C ATOM 1725 O ALA B 46 7.424 -3.417 2.609 1.00 0.50 O ATOM 1726 CB ALA B 46 6.622 -3.394 -0.586 1.00 0.55 C ATOM 0 H ALA B 46 7.761 -1.444 1.233 1.00 0.48 H new ATOM 0 HA ALA B 46 5.077 -2.520 0.636 1.00 0.51 H new ATOM 0 HB1 ALA B 46 6.121 -4.357 -0.680 1.00 0.55 H new ATOM 0 HB2 ALA B 46 6.381 -2.774 -1.449 1.00 0.55 H new ATOM 0 HB3 ALA B 46 7.700 -3.549 -0.540 1.00 0.55 H new ATOM 1732 N SER B 47 5.484 -4.489 2.163 1.00 0.54 N ATOM 1733 CA SER B 47 5.602 -5.477 3.250 1.00 0.57 C ATOM 1734 C SER B 47 5.466 -6.897 2.699 1.00 0.60 C ATOM 1735 O SER B 47 4.558 -7.213 1.919 1.00 0.63 O ATOM 1736 CB SER B 47 4.531 -5.261 4.321 1.00 0.60 C ATOM 1737 OG SER B 47 4.679 -3.964 4.904 1.00 0.58 O ATOM 0 H SER B 47 4.619 -4.566 1.627 1.00 0.54 H new ATOM 0 HA SER B 47 6.586 -5.345 3.700 1.00 0.57 H new ATOM 0 HB2 SER B 47 3.539 -5.360 3.880 1.00 0.60 H new ATOM 0 HB3 SER B 47 4.615 -6.027 5.092 1.00 0.60 H new ATOM 0 HG SER B 47 3.989 -3.832 5.587 1.00 0.58 H new ATOM 1743 N LEU B 48 6.380 -7.763 3.129 1.00 0.62 N ATOM 1744 CA LEU B 48 6.391 -9.156 2.694 1.00 0.67 C ATOM 1745 C LEU B 48 5.378 -9.986 3.480 1.00 0.71 C ATOM 1746 O LEU B 48 4.777 -9.508 4.444 1.00 0.70 O ATOM 1747 CB LEU B 48 7.792 -9.759 2.861 1.00 0.68 C ATOM 1748 CG LEU B 48 8.801 -9.393 1.767 1.00 0.70 C ATOM 1749 CD1 LEU B 48 9.370 -8.000 1.994 1.00 0.70 C ATOM 1750 CD2 LEU B 48 9.919 -10.424 1.713 1.00 0.75 C ATOM 0 H LEU B 48 7.126 -7.522 3.782 1.00 0.62 H new ATOM 0 HA LEU B 48 6.114 -9.177 1.640 1.00 0.67 H new ATOM 0 HB2 LEU B 48 8.194 -9.441 3.823 1.00 0.68 H new ATOM 0 HB3 LEU B 48 7.700 -10.844 2.898 1.00 0.68 H new ATOM 0 HG LEU B 48 8.280 -9.392 0.810 1.00 0.70 H new ATOM 0 HD11 LEU B 48 10.083 -7.765 1.204 1.00 0.70 H new ATOM 0 HD12 LEU B 48 8.561 -7.270 1.981 1.00 0.70 H new ATOM 0 HD13 LEU B 48 9.874 -7.966 2.960 1.00 0.70 H new ATOM 0 HD21 LEU B 48 10.628 -10.151 0.931 1.00 0.75 H new ATOM 0 HD22 LEU B 48 10.432 -10.455 2.674 1.00 0.75 H new ATOM 0 HD23 LEU B 48 9.498 -11.406 1.495 1.00 0.75 H new ATOM 1762 N LYS B 49 5.202 -11.237 3.063 1.00 0.76 N ATOM 1763 CA LYS B 49 4.265 -12.145 3.717 1.00 0.82 C ATOM 1764 C LYS B 49 4.872 -12.736 4.993 1.00 0.84 C ATOM 1765 O LYS B 49 4.158 -13.266 5.846 1.00 0.89 O ATOM 1766 CB LYS B 49 3.864 -13.265 2.748 1.00 0.89 C ATOM 1767 CG LYS B 49 2.734 -14.151 3.253 1.00 0.98 C ATOM 1768 CD LYS B 49 1.423 -13.388 3.363 1.00 1.05 C ATOM 1769 CE LYS B 49 0.320 -14.261 3.940 1.00 1.23 C ATOM 1770 NZ LYS B 49 0.642 -14.723 5.319 1.00 1.27 N ATOM 0 H LYS B 49 5.699 -11.646 2.272 1.00 0.76 H new ATOM 0 HA LYS B 49 3.376 -11.580 3.999 1.00 0.82 H new ATOM 0 HB2 LYS B 49 3.565 -12.820 1.799 1.00 0.89 H new ATOM 0 HB3 LYS B 49 4.737 -13.887 2.548 1.00 0.89 H new ATOM 0 HG2 LYS B 49 2.606 -14.997 2.578 1.00 0.98 H new ATOM 0 HG3 LYS B 49 3.000 -14.559 4.228 1.00 0.98 H new ATOM 0 HD2 LYS B 49 1.563 -12.511 3.995 1.00 1.05 H new ATOM 0 HD3 LYS B 49 1.126 -13.028 2.378 1.00 1.05 H new ATOM 0 HE2 LYS B 49 -0.616 -13.702 3.954 1.00 1.23 H new ATOM 0 HE3 LYS B 49 0.166 -15.125 3.294 1.00 1.23 H new ATOM 0 HZ1 LYS B 49 -0.119 -15.343 5.664 1.00 1.27 H new ATOM 0 HZ2 LYS B 49 1.539 -15.249 5.308 1.00 1.27 H new ATOM 0 HZ3 LYS B 49 0.731 -13.900 5.949 1.00 1.27 H new ATOM 1784 N ASN B 50 6.193 -12.621 5.127 1.00 0.81 N ATOM 1785 CA ASN B 50 6.896 -13.146 6.296 1.00 0.84 C ATOM 1786 C ASN B 50 6.835 -12.170 7.470 1.00 0.80 C ATOM 1787 O ASN B 50 7.264 -12.492 8.578 1.00 0.97 O ATOM 1788 CB ASN B 50 8.356 -13.446 5.946 1.00 0.86 C ATOM 1789 CG ASN B 50 8.486 -14.529 4.894 1.00 0.94 C ATOM 1790 OD1 ASN B 50 7.650 -15.430 4.806 1.00 0.99 O ATOM 1791 ND2 ASN B 50 9.536 -14.449 4.088 1.00 0.97 N ATOM 0 H ASN B 50 6.797 -12.169 4.441 1.00 0.81 H new ATOM 0 HA ASN B 50 6.398 -14.068 6.595 1.00 0.84 H new ATOM 0 HB2 ASN B 50 8.836 -12.535 5.587 1.00 0.86 H new ATOM 0 HB3 ASN B 50 8.887 -13.753 6.847 1.00 0.86 H new ATOM 0 HD21 ASN B 50 9.675 -15.150 3.361 1.00 0.97 H new ATOM 0 HD22 ASN B 50 10.204 -13.686 4.195 1.00 0.97 H new ATOM 1798 N GLY B 51 6.299 -10.977 7.219 1.00 0.67 N ATOM 1799 CA GLY B 51 6.195 -9.976 8.264 1.00 0.65 C ATOM 1800 C GLY B 51 7.351 -8.998 8.237 1.00 0.60 C ATOM 1801 O GLY B 51 7.842 -8.580 9.282 1.00 0.67 O ATOM 0 H GLY B 51 5.936 -10.688 6.311 1.00 0.67 H new ATOM 0 HA2 GLY B 51 5.258 -9.431 8.151 1.00 0.65 H new ATOM 0 HA3 GLY B 51 6.161 -10.469 9.235 1.00 0.65 H new ATOM 1805 N LYS B 52 7.788 -8.636 7.035 1.00 0.57 N ATOM 1806 CA LYS B 52 8.896 -7.703 6.873 1.00 0.55 C ATOM 1807 C LYS B 52 8.439 -6.441 6.155 1.00 0.51 C ATOM 1808 O LYS B 52 7.392 -6.431 5.516 1.00 0.60 O ATOM 1809 CB LYS B 52 10.035 -8.357 6.091 1.00 0.59 C ATOM 1810 CG LYS B 52 10.630 -9.574 6.781 1.00 0.66 C ATOM 1811 CD LYS B 52 11.662 -10.269 5.905 1.00 0.79 C ATOM 1812 CE LYS B 52 12.886 -9.395 5.675 1.00 0.86 C ATOM 1813 NZ LYS B 52 13.892 -10.073 4.813 1.00 1.05 N ATOM 0 H LYS B 52 7.391 -8.975 6.159 1.00 0.57 H new ATOM 0 HA LYS B 52 9.255 -7.431 7.866 1.00 0.55 H new ATOM 0 HB2 LYS B 52 9.667 -8.651 5.108 1.00 0.59 H new ATOM 0 HB3 LYS B 52 10.822 -7.621 5.929 1.00 0.59 H new ATOM 0 HG2 LYS B 52 11.094 -9.270 7.719 1.00 0.66 H new ATOM 0 HG3 LYS B 52 9.834 -10.275 7.032 1.00 0.66 H new ATOM 0 HD2 LYS B 52 11.966 -11.205 6.374 1.00 0.79 H new ATOM 0 HD3 LYS B 52 11.212 -10.525 4.946 1.00 0.79 H new ATOM 0 HE2 LYS B 52 12.581 -8.457 5.210 1.00 0.86 H new ATOM 0 HE3 LYS B 52 13.339 -9.143 6.634 1.00 0.86 H new ATOM 0 HZ1 LYS B 52 14.712 -9.447 4.678 1.00 1.05 H new ATOM 0 HZ2 LYS B 52 14.201 -10.955 5.268 1.00 1.05 H new ATOM 0 HZ3 LYS B 52 13.467 -10.291 3.889 1.00 1.05 H new ATOM 1827 N GLU B 53 9.233 -5.380 6.266 1.00 0.53 N ATOM 1828 CA GLU B 53 8.916 -4.110 5.621 1.00 0.50 C ATOM 1829 C GLU B 53 10.178 -3.438 5.097 1.00 0.50 C ATOM 1830 O GLU B 53 11.135 -3.214 5.839 1.00 0.52 O ATOM 1831 CB GLU B 53 8.182 -3.182 6.597 1.00 0.51 C ATOM 1832 CG GLU B 53 8.828 -3.112 7.974 1.00 0.66 C ATOM 1833 CD GLU B 53 8.024 -2.285 8.955 1.00 0.66 C ATOM 1834 OE1 GLU B 53 7.150 -2.863 9.639 1.00 0.67 O ATOM 1835 OE2 GLU B 53 8.275 -1.066 9.047 1.00 0.71 O ATOM 0 H GLU B 53 10.103 -5.375 6.798 1.00 0.53 H new ATOM 0 HA GLU B 53 8.261 -4.313 4.774 1.00 0.50 H new ATOM 0 HB2 GLU B 53 8.143 -2.179 6.172 1.00 0.51 H new ATOM 0 HB3 GLU B 53 7.152 -3.523 6.705 1.00 0.51 H new ATOM 0 HG2 GLU B 53 8.946 -4.122 8.367 1.00 0.66 H new ATOM 0 HG3 GLU B 53 9.828 -2.687 7.881 1.00 0.66 H new ATOM 1842 N ILE B 54 10.180 -3.132 3.806 1.00 0.47 N ATOM 1843 CA ILE B 54 11.338 -2.470 3.173 1.00 0.47 C ATOM 1844 C ILE B 54 10.879 -1.194 2.451 1.00 0.45 C ATOM 1845 O ILE B 54 9.683 -0.896 2.372 1.00 0.43 O ATOM 1846 CB ILE B 54 12.092 -3.445 2.248 1.00 0.49 C ATOM 1847 CG1 ILE B 54 11.196 -3.914 1.087 1.00 0.47 C ATOM 1848 CG2 ILE B 54 12.687 -4.605 3.067 1.00 0.52 C ATOM 1849 CD1 ILE B 54 11.911 -4.749 0.022 1.00 0.49 C ATOM 0 H ILE B 54 9.405 -3.325 3.172 1.00 0.47 H new ATOM 0 HA ILE B 54 12.050 -2.170 3.942 1.00 0.47 H new ATOM 0 HB ILE B 54 12.930 -2.924 1.785 1.00 0.49 H new ATOM 0 HG12 ILE B 54 10.373 -4.500 1.496 1.00 0.47 H new ATOM 0 HG13 ILE B 54 10.757 -3.038 0.608 1.00 0.47 H new ATOM 0 HG21 ILE B 54 13.217 -5.286 2.401 1.00 0.52 H new ATOM 0 HG22 ILE B 54 13.381 -4.209 3.808 1.00 0.52 H new ATOM 0 HG23 ILE B 54 11.885 -5.143 3.572 1.00 0.52 H new ATOM 0 HD11 ILE B 54 11.201 -5.034 -0.755 1.00 0.49 H new ATOM 0 HD12 ILE B 54 12.716 -4.162 -0.420 1.00 0.49 H new ATOM 0 HD13 ILE B 54 12.326 -5.647 0.481 1.00 0.49 H new ATOM 1861 N CYS B 55 11.851 -0.523 1.855 1.00 0.45 N ATOM 1862 CA CYS B 55 11.603 0.694 1.070 1.00 0.44 C ATOM 1863 C CYS B 55 12.236 0.540 -0.307 1.00 0.45 C ATOM 1864 O CYS B 55 13.382 0.121 -0.447 1.00 0.48 O ATOM 1865 CB CYS B 55 12.225 1.901 1.760 1.00 0.44 C ATOM 1866 SG CYS B 55 11.392 2.364 3.318 1.00 0.44 S ATOM 0 H CYS B 55 12.832 -0.798 1.896 1.00 0.45 H new ATOM 0 HA CYS B 55 10.527 0.842 0.980 1.00 0.44 H new ATOM 0 HB2 CYS B 55 13.274 1.689 1.968 1.00 0.44 H new ATOM 0 HB3 CYS B 55 12.200 2.751 1.078 1.00 0.44 H new ATOM 1871 N LEU B 56 11.488 0.980 -1.292 1.00 0.44 N ATOM 1872 CA LEU B 56 11.922 0.885 -2.682 1.00 0.47 C ATOM 1873 C LEU B 56 12.141 2.302 -3.226 1.00 0.48 C ATOM 1874 O LEU B 56 11.501 3.263 -2.788 1.00 0.46 O ATOM 1875 CB LEU B 56 10.805 0.096 -3.378 1.00 0.46 C ATOM 1876 CG LEU B 56 10.507 -1.324 -2.876 1.00 0.46 C ATOM 1877 CD1 LEU B 56 9.530 -1.993 -3.843 1.00 0.47 C ATOM 1878 CD2 LEU B 56 11.767 -2.178 -2.722 1.00 0.49 C ATOM 0 H LEU B 56 10.572 1.410 -1.164 1.00 0.44 H new ATOM 0 HA LEU B 56 12.872 0.374 -2.837 1.00 0.47 H new ATOM 0 HB2 LEU B 56 9.886 0.678 -3.300 1.00 0.46 H new ATOM 0 HB3 LEU B 56 11.052 0.031 -4.438 1.00 0.46 H new ATOM 0 HG LEU B 56 10.069 -1.242 -1.881 1.00 0.46 H new ATOM 0 HD11 LEU B 56 9.310 -3.003 -3.497 1.00 0.47 H new ATOM 0 HD12 LEU B 56 8.607 -1.415 -3.885 1.00 0.47 H new ATOM 0 HD13 LEU B 56 9.975 -2.039 -4.837 1.00 0.47 H new ATOM 0 HD21 LEU B 56 11.492 -3.170 -2.364 1.00 0.49 H new ATOM 0 HD22 LEU B 56 12.267 -2.265 -3.686 1.00 0.49 H new ATOM 0 HD23 LEU B 56 12.440 -1.707 -2.005 1.00 0.49 H new ATOM 1890 N ASP B 57 13.018 2.455 -4.208 1.00 0.50 N ATOM 1891 CA ASP B 57 13.243 3.775 -4.801 1.00 0.52 C ATOM 1892 C ASP B 57 12.662 3.833 -6.215 1.00 0.54 C ATOM 1893 O ASP B 57 13.116 3.109 -7.101 1.00 0.59 O ATOM 1894 CB ASP B 57 14.732 4.114 -4.843 1.00 0.57 C ATOM 1895 CG ASP B 57 14.992 5.586 -4.583 1.00 0.58 C ATOM 1896 OD1 ASP B 57 14.485 6.427 -5.356 1.00 0.60 O ATOM 1897 OD2 ASP B 57 15.700 5.901 -3.604 1.00 0.63 O ATOM 0 H ASP B 57 13.577 1.702 -4.608 1.00 0.50 H new ATOM 0 HA ASP B 57 12.738 4.510 -4.175 1.00 0.52 H new ATOM 0 HB2 ASP B 57 15.260 3.517 -4.100 1.00 0.57 H new ATOM 0 HB3 ASP B 57 15.138 3.842 -5.817 1.00 0.57 H new ATOM 1902 N PRO B 58 11.643 4.702 -6.443 1.00 0.55 N ATOM 1903 CA PRO B 58 10.996 4.862 -7.765 1.00 0.61 C ATOM 1904 C PRO B 58 11.995 5.211 -8.867 1.00 0.69 C ATOM 1905 O PRO B 58 11.707 5.078 -10.057 1.00 0.83 O ATOM 1906 CB PRO B 58 10.020 6.022 -7.548 1.00 0.64 C ATOM 1907 CG PRO B 58 9.774 6.060 -6.081 1.00 0.60 C ATOM 1908 CD PRO B 58 11.042 5.589 -5.428 1.00 0.57 C ATOM 0 HA PRO B 58 10.519 3.939 -8.094 1.00 0.61 H new ATOM 0 HB2 PRO B 58 10.443 6.963 -7.900 1.00 0.64 H new ATOM 0 HB3 PRO B 58 9.093 5.864 -8.098 1.00 0.64 H new ATOM 0 HG2 PRO B 58 9.521 7.069 -5.755 1.00 0.60 H new ATOM 0 HG3 PRO B 58 8.936 5.418 -5.811 1.00 0.60 H new ATOM 0 HD2 PRO B 58 11.701 6.422 -5.182 1.00 0.57 H new ATOM 0 HD3 PRO B 58 10.841 5.057 -4.498 1.00 0.57 H new ATOM 1916 N GLU B 59 13.167 5.662 -8.438 1.00 0.65 N ATOM 1917 CA GLU B 59 14.273 6.028 -9.332 1.00 0.77 C ATOM 1918 C GLU B 59 14.829 4.837 -10.146 1.00 0.82 C ATOM 1919 O GLU B 59 15.552 5.024 -11.122 1.00 0.91 O ATOM 1920 CB GLU B 59 15.379 6.677 -8.492 1.00 0.83 C ATOM 1921 CG GLU B 59 16.465 7.291 -9.376 1.00 1.10 C ATOM 1922 CD GLU B 59 17.552 7.988 -8.569 1.00 1.18 C ATOM 1923 OE1 GLU B 59 18.195 7.294 -7.749 1.00 1.40 O ATOM 1924 OE2 GLU B 59 17.706 9.205 -8.797 1.00 1.28 O ATOM 0 H GLU B 59 13.385 5.788 -7.449 1.00 0.65 H new ATOM 0 HA GLU B 59 13.888 6.729 -10.073 1.00 0.77 H new ATOM 0 HB2 GLU B 59 14.948 7.449 -7.854 1.00 0.83 H new ATOM 0 HB3 GLU B 59 15.823 5.930 -7.833 1.00 0.83 H new ATOM 0 HG2 GLU B 59 16.916 6.509 -9.987 1.00 1.10 H new ATOM 0 HG3 GLU B 59 16.010 8.007 -10.060 1.00 1.10 H new ATOM 1931 N ALA B 60 14.511 3.619 -9.723 1.00 0.80 N ATOM 1932 CA ALA B 60 14.993 2.412 -10.398 1.00 0.88 C ATOM 1933 C ALA B 60 13.901 1.823 -11.308 1.00 0.91 C ATOM 1934 O ALA B 60 12.766 1.628 -10.867 1.00 0.89 O ATOM 1935 CB ALA B 60 15.434 1.421 -9.322 1.00 0.88 C ATOM 0 H ALA B 60 13.919 3.437 -8.912 1.00 0.80 H new ATOM 0 HA ALA B 60 15.839 2.646 -11.045 1.00 0.88 H new ATOM 0 HB1 ALA B 60 15.799 0.509 -9.795 1.00 0.88 H new ATOM 0 HB2 ALA B 60 16.231 1.864 -8.724 1.00 0.88 H new ATOM 0 HB3 ALA B 60 14.587 1.182 -8.678 1.00 0.88 H new ATOM 1941 N PRO B 61 14.279 1.438 -12.535 1.00 0.99 N ATOM 1942 CA PRO B 61 13.348 0.880 -13.538 1.00 1.03 C ATOM 1943 C PRO B 61 12.753 -0.475 -13.129 1.00 1.03 C ATOM 1944 O PRO B 61 11.536 -0.646 -13.155 1.00 1.01 O ATOM 1945 CB PRO B 61 14.181 0.769 -14.816 1.00 1.15 C ATOM 1946 CG PRO B 61 15.602 0.550 -14.299 1.00 1.19 C ATOM 1947 CD PRO B 61 15.661 1.441 -13.059 1.00 1.07 C ATOM 0 HA PRO B 61 12.475 1.521 -13.660 1.00 1.03 H new ATOM 0 HB2 PRO B 61 13.849 -0.060 -15.440 1.00 1.15 H new ATOM 0 HB3 PRO B 61 14.109 1.673 -15.421 1.00 1.15 H new ATOM 0 HG2 PRO B 61 15.785 -0.496 -14.053 1.00 1.19 H new ATOM 0 HG3 PRO B 61 16.349 0.838 -15.039 1.00 1.19 H new ATOM 0 HD2 PRO B 61 16.365 1.052 -12.324 1.00 1.07 H new ATOM 0 HD3 PRO B 61 15.988 2.450 -13.310 1.00 1.07 H new ATOM 1955 N PHE B 62 13.595 -1.346 -12.563 1.00 1.06 N ATOM 1956 CA PHE B 62 13.161 -2.665 -12.056 1.00 1.08 C ATOM 1957 C PHE B 62 12.116 -2.529 -10.944 1.00 0.98 C ATOM 1958 O PHE B 62 11.245 -3.381 -10.780 1.00 0.98 O ATOM 1959 CB PHE B 62 14.349 -3.487 -11.543 1.00 1.15 C ATOM 1960 CG PHE B 62 15.046 -2.859 -10.334 1.00 1.11 C ATOM 1961 CD1 PHE B 62 14.607 -3.148 -9.050 1.00 1.07 C ATOM 1962 CD2 PHE B 62 16.139 -2.023 -10.529 1.00 1.14 C ATOM 1963 CE1 PHE B 62 15.258 -2.605 -7.955 1.00 1.07 C ATOM 1964 CE2 PHE B 62 16.800 -1.492 -9.432 1.00 1.14 C ATOM 1965 CZ PHE B 62 16.355 -1.774 -8.148 1.00 1.10 C ATOM 0 H PHE B 62 14.591 -1.164 -12.441 1.00 1.06 H new ATOM 0 HA PHE B 62 12.707 -3.187 -12.898 1.00 1.08 H new ATOM 0 HB2 PHE B 62 14.002 -4.485 -11.275 1.00 1.15 H new ATOM 0 HB3 PHE B 62 15.073 -3.607 -12.349 1.00 1.15 H new ATOM 0 HD1 PHE B 62 13.756 -3.797 -8.904 1.00 1.07 H new ATOM 0 HD2 PHE B 62 16.472 -1.788 -11.529 1.00 1.14 H new ATOM 0 HE1 PHE B 62 14.915 -2.826 -6.955 1.00 1.07 H new ATOM 0 HE2 PHE B 62 17.662 -0.858 -9.577 1.00 1.14 H new ATOM 0 HZ PHE B 62 16.863 -1.346 -7.296 1.00 1.10 H new ATOM 1975 N LEU B 63 12.173 -1.404 -10.254 1.00 0.90 N ATOM 1976 CA LEU B 63 11.237 -1.106 -9.197 1.00 0.80 C ATOM 1977 C LEU B 63 9.859 -0.831 -9.782 1.00 0.83 C ATOM 1978 O LEU B 63 8.858 -1.331 -9.284 1.00 0.83 O ATOM 1979 CB LEU B 63 11.722 0.107 -8.426 1.00 0.71 C ATOM 1980 CG LEU B 63 11.459 0.062 -6.937 1.00 0.64 C ATOM 1981 CD1 LEU B 63 12.787 0.026 -6.194 1.00 0.62 C ATOM 1982 CD2 LEU B 63 10.607 1.255 -6.529 1.00 0.62 C ATOM 0 H LEU B 63 12.869 -0.676 -10.414 1.00 0.90 H new ATOM 0 HA LEU B 63 11.167 -1.961 -8.525 1.00 0.80 H new ATOM 0 HB2 LEU B 63 12.794 0.217 -8.588 1.00 0.71 H new ATOM 0 HB3 LEU B 63 11.244 0.996 -8.838 1.00 0.71 H new ATOM 0 HG LEU B 63 10.904 -0.839 -6.677 1.00 0.64 H new ATOM 0 HD11 LEU B 63 12.602 -0.006 -5.120 1.00 0.62 H new ATOM 0 HD12 LEU B 63 13.347 -0.860 -6.493 1.00 0.62 H new ATOM 0 HD13 LEU B 63 13.364 0.919 -6.436 1.00 0.62 H new ATOM 0 HD21 LEU B 63 10.420 1.219 -5.456 1.00 0.62 H new ATOM 0 HD22 LEU B 63 11.132 2.178 -6.775 1.00 0.62 H new ATOM 0 HD23 LEU B 63 9.658 1.224 -7.064 1.00 0.62 H new ATOM 1994 N LYS B 64 9.829 -0.046 -10.860 1.00 0.87 N ATOM 1995 CA LYS B 64 8.584 0.310 -11.548 1.00 0.93 C ATOM 1996 C LYS B 64 7.840 -0.937 -12.038 1.00 0.97 C ATOM 1997 O LYS B 64 6.623 -0.937 -12.154 1.00 1.03 O ATOM 1998 CB LYS B 64 8.897 1.234 -12.728 1.00 1.02 C ATOM 1999 CG LYS B 64 7.665 1.772 -13.442 1.00 1.12 C ATOM 2000 CD LYS B 64 8.041 2.597 -14.665 1.00 1.30 C ATOM 2001 CE LYS B 64 8.653 1.736 -15.760 1.00 1.47 C ATOM 2002 NZ LYS B 64 8.953 2.526 -16.985 1.00 1.71 N ATOM 0 H LYS B 64 10.664 0.361 -11.281 1.00 0.87 H new ATOM 0 HA LYS B 64 7.936 0.827 -10.840 1.00 0.93 H new ATOM 0 HB2 LYS B 64 9.491 2.074 -12.369 1.00 1.02 H new ATOM 0 HB3 LYS B 64 9.512 0.692 -13.446 1.00 1.02 H new ATOM 0 HG2 LYS B 64 7.028 0.941 -13.745 1.00 1.12 H new ATOM 0 HG3 LYS B 64 7.084 2.385 -12.754 1.00 1.12 H new ATOM 0 HD2 LYS B 64 7.154 3.100 -15.051 1.00 1.30 H new ATOM 0 HD3 LYS B 64 8.748 3.374 -14.376 1.00 1.30 H new ATOM 0 HE2 LYS B 64 9.570 1.277 -15.391 1.00 1.47 H new ATOM 0 HE3 LYS B 64 7.968 0.925 -16.009 1.00 1.47 H new ATOM 0 HZ1 LYS B 64 9.369 1.903 -17.707 1.00 1.71 H new ATOM 0 HZ2 LYS B 64 8.074 2.944 -17.353 1.00 1.71 H new ATOM 0 HZ3 LYS B 64 9.626 3.284 -16.753 1.00 1.71 H new ATOM 2016 N LYS B 65 8.599 -1.990 -12.317 1.00 0.98 N ATOM 2017 CA LYS B 65 8.057 -3.277 -12.790 1.00 1.04 C ATOM 2018 C LYS B 65 7.425 -4.109 -11.672 1.00 1.02 C ATOM 2019 O LYS B 65 6.224 -4.372 -11.696 1.00 1.07 O ATOM 2020 CB LYS B 65 9.169 -4.083 -13.451 1.00 1.07 C ATOM 2021 CG LYS B 65 9.685 -3.394 -14.714 1.00 1.14 C ATOM 2022 CD LYS B 65 10.716 -4.267 -15.433 1.00 1.20 C ATOM 2023 CE LYS B 65 10.116 -5.571 -15.976 1.00 1.27 C ATOM 2024 NZ LYS B 65 9.083 -5.311 -16.989 1.00 1.36 N ATOM 0 H LYS B 65 9.615 -1.984 -12.224 1.00 0.98 H new ATOM 0 HA LYS B 65 7.266 -3.046 -13.504 1.00 1.04 H new ATOM 0 HB2 LYS B 65 9.990 -4.217 -12.747 1.00 1.07 H new ATOM 0 HB3 LYS B 65 8.799 -5.077 -13.703 1.00 1.07 H new ATOM 0 HG2 LYS B 65 8.851 -3.183 -15.384 1.00 1.14 H new ATOM 0 HG3 LYS B 65 10.134 -2.436 -14.452 1.00 1.14 H new ATOM 0 HD2 LYS B 65 11.152 -3.702 -16.257 1.00 1.20 H new ATOM 0 HD3 LYS B 65 11.527 -4.505 -14.745 1.00 1.20 H new ATOM 0 HE2 LYS B 65 10.907 -6.183 -16.411 1.00 1.27 H new ATOM 0 HE3 LYS B 65 9.685 -6.144 -15.155 1.00 1.27 H new ATOM 0 HZ1 LYS B 65 8.845 -6.198 -17.477 1.00 1.36 H new ATOM 0 HZ2 LYS B 65 8.232 -4.931 -16.527 1.00 1.36 H new ATOM 0 HZ3 LYS B 65 9.440 -4.620 -17.680 1.00 1.36 H new ATOM 2038 N VAL B 66 8.203 -4.373 -10.624 1.00 0.96 N ATOM 2039 CA VAL B 66 7.705 -5.124 -9.477 1.00 0.95 C ATOM 2040 C VAL B 66 6.552 -4.380 -8.782 1.00 0.95 C ATOM 2041 O VAL B 66 5.675 -5.012 -8.199 1.00 0.97 O ATOM 2042 CB VAL B 66 8.824 -5.427 -8.456 1.00 0.92 C ATOM 2043 CG1 VAL B 66 9.967 -6.159 -9.138 1.00 0.93 C ATOM 2044 CG2 VAL B 66 9.327 -4.157 -7.782 1.00 0.91 C ATOM 0 H VAL B 66 9.177 -4.079 -10.547 1.00 0.96 H new ATOM 0 HA VAL B 66 7.331 -6.072 -9.863 1.00 0.95 H new ATOM 0 HB VAL B 66 8.406 -6.066 -7.678 1.00 0.92 H new ATOM 0 HG11 VAL B 66 10.751 -6.368 -8.410 1.00 0.93 H new ATOM 0 HG12 VAL B 66 9.601 -7.097 -9.556 1.00 0.93 H new ATOM 0 HG13 VAL B 66 10.371 -5.538 -9.938 1.00 0.93 H new ATOM 0 HG21 VAL B 66 10.113 -4.410 -7.071 1.00 0.91 H new ATOM 0 HG22 VAL B 66 9.724 -3.478 -8.536 1.00 0.91 H new ATOM 0 HG23 VAL B 66 8.504 -3.674 -7.256 1.00 0.91 H new ATOM 2054 N ILE B 67 6.546 -3.036 -8.849 1.00 0.95 N ATOM 2055 CA ILE B 67 5.466 -2.256 -8.236 1.00 0.97 C ATOM 2056 C ILE B 67 4.290 -2.140 -9.198 1.00 1.02 C ATOM 2057 O ILE B 67 3.171 -1.843 -8.787 1.00 1.08 O ATOM 2058 CB ILE B 67 5.892 -0.843 -7.763 1.00 0.99 C ATOM 2059 CG1 ILE B 67 6.153 0.092 -8.948 1.00 1.00 C ATOM 2060 CG2 ILE B 67 7.114 -0.927 -6.855 1.00 0.98 C ATOM 2061 CD1 ILE B 67 6.204 1.556 -8.565 1.00 1.07 C ATOM 0 H ILE B 67 7.264 -2.480 -9.313 1.00 0.95 H new ATOM 0 HA ILE B 67 5.177 -2.805 -7.340 1.00 0.97 H new ATOM 0 HB ILE B 67 5.066 -0.421 -7.190 1.00 0.99 H new ATOM 0 HG12 ILE B 67 7.097 -0.185 -9.418 1.00 1.00 H new ATOM 0 HG13 ILE B 67 5.371 -0.053 -9.694 1.00 1.00 H new ATOM 0 HG21 ILE B 67 7.398 0.075 -6.533 1.00 0.98 H new ATOM 0 HG22 ILE B 67 6.877 -1.535 -5.982 1.00 0.98 H new ATOM 0 HG23 ILE B 67 7.942 -1.381 -7.400 1.00 0.98 H new ATOM 0 HD11 ILE B 67 6.392 2.158 -9.454 1.00 1.07 H new ATOM 0 HD12 ILE B 67 5.252 1.850 -8.123 1.00 1.07 H new ATOM 0 HD13 ILE B 67 7.004 1.715 -7.843 1.00 1.07 H new ATOM 2073 N GLN B 68 4.554 -2.341 -10.486 1.00 1.04 N ATOM 2074 CA GLN B 68 3.475 -2.326 -11.488 1.00 1.12 C ATOM 2075 C GLN B 68 2.665 -3.632 -11.423 1.00 1.11 C ATOM 2076 O GLN B 68 1.434 -3.605 -11.412 1.00 1.15 O ATOM 2077 CB GLN B 68 4.069 -2.152 -12.879 1.00 1.19 C ATOM 2078 CG GLN B 68 2.969 -1.942 -13.911 1.00 1.30 C ATOM 2079 CD GLN B 68 3.574 -1.739 -15.297 1.00 1.39 C ATOM 2080 OE1 GLN B 68 4.351 -2.525 -15.815 1.00 1.39 O ATOM 2081 NE2 GLN B 68 3.161 -0.659 -15.915 1.00 1.52 N ATOM 0 H GLN B 68 5.486 -2.514 -10.863 1.00 1.04 H new ATOM 0 HA GLN B 68 2.807 -1.492 -11.274 1.00 1.12 H new ATOM 0 HB2 GLN B 68 4.749 -1.300 -12.886 1.00 1.19 H new ATOM 0 HB3 GLN B 68 4.658 -3.031 -13.141 1.00 1.19 H new ATOM 0 HG2 GLN B 68 2.301 -2.803 -13.921 1.00 1.30 H new ATOM 0 HG3 GLN B 68 2.367 -1.075 -13.639 1.00 1.30 H new ATOM 0 HE21 GLN B 68 2.511 -0.024 -15.452 1.00 1.52 H new ATOM 0 HE22 GLN B 68 3.490 -0.454 -16.859 1.00 1.52 H new ATOM 2090 N LYS B 69 3.362 -4.762 -11.299 1.00 1.10 N ATOM 2091 CA LYS B 69 2.712 -6.074 -11.236 1.00 1.13 C ATOM 2092 C LYS B 69 1.799 -6.227 -10.014 1.00 1.15 C ATOM 2093 O LYS B 69 0.848 -7.005 -10.046 1.00 1.23 O ATOM 2094 CB LYS B 69 3.760 -7.187 -11.226 1.00 1.11 C ATOM 2095 CG LYS B 69 4.444 -7.400 -12.565 1.00 1.16 C ATOM 2096 CD LYS B 69 5.378 -8.599 -12.521 1.00 1.24 C ATOM 2097 CE LYS B 69 5.921 -8.937 -13.898 1.00 1.40 C ATOM 2098 NZ LYS B 69 6.779 -10.153 -13.872 1.00 1.61 N ATOM 0 H LYS B 69 4.380 -4.796 -11.240 1.00 1.10 H new ATOM 0 HA LYS B 69 2.088 -6.153 -12.126 1.00 1.13 H new ATOM 0 HB2 LYS B 69 4.516 -6.954 -10.476 1.00 1.11 H new ATOM 0 HB3 LYS B 69 3.284 -8.118 -10.920 1.00 1.11 H new ATOM 0 HG2 LYS B 69 3.693 -7.549 -13.340 1.00 1.16 H new ATOM 0 HG3 LYS B 69 5.007 -6.507 -12.835 1.00 1.16 H new ATOM 0 HD2 LYS B 69 6.206 -8.391 -11.844 1.00 1.24 H new ATOM 0 HD3 LYS B 69 4.846 -9.461 -12.118 1.00 1.24 H new ATOM 0 HE2 LYS B 69 5.091 -9.093 -14.588 1.00 1.40 H new ATOM 0 HE3 LYS B 69 6.498 -8.094 -14.278 1.00 1.40 H new ATOM 0 HZ1 LYS B 69 7.130 -10.351 -14.831 1.00 1.61 H new ATOM 0 HZ2 LYS B 69 7.585 -9.996 -13.234 1.00 1.61 H new ATOM 0 HZ3 LYS B 69 6.222 -10.964 -13.533 1.00 1.61 H new ATOM 2112 N ILE B 70 2.085 -5.492 -8.937 1.00 1.14 N ATOM 2113 CA ILE B 70 1.272 -5.582 -7.721 1.00 1.20 C ATOM 2114 C ILE B 70 0.180 -4.513 -7.682 1.00 1.31 C ATOM 2115 O ILE B 70 -0.494 -4.342 -6.666 1.00 1.43 O ATOM 2116 CB ILE B 70 2.129 -5.487 -6.438 1.00 1.18 C ATOM 2117 CG1 ILE B 70 3.038 -4.255 -6.478 1.00 1.17 C ATOM 2118 CG2 ILE B 70 2.947 -6.757 -6.257 1.00 1.29 C ATOM 2119 CD1 ILE B 70 3.946 -4.127 -5.273 1.00 1.30 C ATOM 0 H ILE B 70 2.863 -4.835 -8.881 1.00 1.14 H new ATOM 0 HA ILE B 70 0.800 -6.564 -7.752 1.00 1.20 H new ATOM 0 HB ILE B 70 1.461 -5.381 -5.584 1.00 1.18 H new ATOM 0 HG12 ILE B 70 3.649 -4.295 -7.379 1.00 1.17 H new ATOM 0 HG13 ILE B 70 2.419 -3.361 -6.552 1.00 1.17 H new ATOM 0 HG21 ILE B 70 3.546 -6.678 -5.350 1.00 1.29 H new ATOM 0 HG22 ILE B 70 2.277 -7.613 -6.175 1.00 1.29 H new ATOM 0 HG23 ILE B 70 3.605 -6.892 -7.116 1.00 1.29 H new ATOM 0 HD11 ILE B 70 4.559 -3.231 -5.373 1.00 1.30 H new ATOM 0 HD12 ILE B 70 3.342 -4.054 -4.368 1.00 1.30 H new ATOM 0 HD13 ILE B 70 4.591 -5.003 -5.209 1.00 1.30 H new