USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 690 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 LYS NZ :NH3+ -160:sc= -7.17! (180deg=-1.51!) USER MOD Set 1.2: A 85 MET CE :methyl -114:sc= -6.24! (180deg=-4.77!) USER MOD Set 2.1: A 21 LYS NZ :NH3+ 164:sc= -5.7! (180deg=-4.91!) USER MOD Set 2.2: A 42 THR OG1 : rot -85:sc= 0.878 USER MOD Single : A 12 LYS NZ :NH3+ 150:sc= -4.36! (180deg=-4.93!) USER MOD Single : A 14 LYS NZ :NH3+ 155:sc= -0.147 (180deg=-0.818) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.315 X(o=-0.31,f=0) USER MOD Single : A 36 THR OG1 : rot 5:sc= 0.725 USER MOD Single : A 39 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.109) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -3.71! C(o=-3.7!,f=-13!) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot -79:sc= 0.00179 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= -0.486 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -167:sc= -0.729 (180deg=-1.07) USER MOD Single : A 75 LYS NZ :NH3+ -141:sc= -4.76! (180deg=-6.67!) USER MOD Single : A 79 SER OG : rot 160:sc= -3.74! USER MOD Single : A 80 ASN : amide:sc= -1.83! C(o=-1.8!,f=-2.9!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00611 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -164:sc= -1.34 (180deg=-2.53!) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 5 -13.765 2.688 -6.490 1.00 1.58 N ATOM 47 CA GLU A 5 -13.790 1.411 -5.704 1.00 1.64 C ATOM 48 C GLU A 5 -12.398 1.105 -5.120 1.00 1.26 C ATOM 49 O GLU A 5 -11.388 1.459 -5.693 1.00 1.71 O ATOM 50 CB GLU A 5 -14.219 0.270 -6.629 1.00 2.56 C ATOM 51 CG GLU A 5 -15.617 0.558 -7.173 1.00 3.25 C ATOM 52 CD GLU A 5 -16.084 -0.614 -8.038 1.00 4.18 C ATOM 53 OE1 GLU A 5 -15.275 -1.485 -8.308 1.00 4.68 O ATOM 54 OE2 GLU A 5 -17.244 -0.618 -8.418 1.00 4.72 O ATOM 0 HA GLU A 5 -14.495 1.513 -4.879 1.00 1.64 H new ATOM 0 HB2 GLU A 5 -13.511 0.167 -7.451 1.00 2.56 H new ATOM 0 HB3 GLU A 5 -14.216 -0.675 -6.085 1.00 2.56 H new ATOM 0 HG2 GLU A 5 -16.313 0.715 -6.349 1.00 3.25 H new ATOM 0 HG3 GLU A 5 -15.607 1.476 -7.761 1.00 3.25 H new ATOM 61 N VAL A 6 -12.338 0.418 -4.001 1.00 1.37 N ATOM 62 CA VAL A 6 -11.016 0.047 -3.397 1.00 1.13 C ATOM 63 C VAL A 6 -10.371 -1.051 -4.247 1.00 0.99 C ATOM 64 O VAL A 6 -10.655 -1.176 -5.422 1.00 1.03 O ATOM 65 CB VAL A 6 -11.234 -0.469 -1.973 1.00 1.36 C ATOM 66 CG1 VAL A 6 -12.067 0.542 -1.185 1.00 2.38 C ATOM 67 CG2 VAL A 6 -11.973 -1.809 -2.024 1.00 1.54 C ATOM 0 H VAL A 6 -13.153 0.097 -3.478 1.00 1.37 H new ATOM 0 HA VAL A 6 -10.364 0.920 -3.368 1.00 1.13 H new ATOM 0 HB VAL A 6 -10.269 -0.603 -1.484 1.00 1.36 H new ATOM 0 HG11 VAL A 6 -12.222 0.174 -0.171 1.00 2.38 H new ATOM 0 HG12 VAL A 6 -11.542 1.496 -1.148 1.00 2.38 H new ATOM 0 HG13 VAL A 6 -13.032 0.678 -1.673 1.00 2.38 H new ATOM 0 HG21 VAL A 6 -12.129 -2.177 -1.010 1.00 1.54 H new ATOM 0 HG22 VAL A 6 -12.938 -1.674 -2.513 1.00 1.54 H new ATOM 0 HG23 VAL A 6 -11.379 -2.531 -2.585 1.00 1.54 H new ATOM 77 N GLY A 7 -9.523 -1.873 -3.670 1.00 0.95 N ATOM 78 CA GLY A 7 -8.901 -2.973 -4.460 1.00 0.96 C ATOM 79 C GLY A 7 -7.743 -2.460 -5.298 1.00 0.91 C ATOM 80 O GLY A 7 -7.585 -2.819 -6.432 1.00 1.47 O ATOM 0 H GLY A 7 -9.239 -1.826 -2.691 1.00 0.95 H new ATOM 0 HA2 GLY A 7 -8.548 -3.754 -3.786 1.00 0.96 H new ATOM 0 HA3 GLY A 7 -9.650 -3.427 -5.109 1.00 0.96 H new ATOM 84 N ARG A 8 -6.989 -1.558 -4.780 1.00 0.62 N ATOM 85 CA ARG A 8 -5.901 -0.949 -5.582 1.00 0.60 C ATOM 86 C ARG A 8 -4.733 -0.615 -4.654 1.00 0.52 C ATOM 87 O ARG A 8 -4.759 -0.925 -3.478 1.00 0.57 O ATOM 88 CB ARG A 8 -6.402 0.341 -6.219 1.00 0.67 C ATOM 89 CG ARG A 8 -6.703 1.366 -5.120 1.00 1.19 C ATOM 90 CD ARG A 8 -7.429 2.563 -5.721 1.00 1.16 C ATOM 91 NE ARG A 8 -7.614 3.601 -4.663 1.00 1.98 N ATOM 92 CZ ARG A 8 -8.767 3.760 -4.059 1.00 2.55 C ATOM 93 NH1 ARG A 8 -9.795 3.011 -4.356 1.00 2.63 N ATOM 94 NH2 ARG A 8 -8.887 4.680 -3.142 1.00 3.56 N ATOM 0 H ARG A 8 -7.073 -1.207 -3.826 1.00 0.62 H new ATOM 0 HA ARG A 8 -5.583 -1.645 -6.358 1.00 0.60 H new ATOM 0 HB2 ARG A 8 -5.653 0.736 -6.905 1.00 0.67 H new ATOM 0 HB3 ARG A 8 -7.300 0.146 -6.806 1.00 0.67 H new ATOM 0 HG2 ARG A 8 -7.315 0.910 -4.342 1.00 1.19 H new ATOM 0 HG3 ARG A 8 -5.776 1.690 -4.647 1.00 1.19 H new ATOM 0 HD2 ARG A 8 -6.856 2.972 -6.553 1.00 1.16 H new ATOM 0 HD3 ARG A 8 -8.396 2.256 -6.120 1.00 1.16 H new ATOM 0 HE ARG A 8 -6.828 4.198 -4.405 1.00 1.98 H new ATOM 0 HH11 ARG A 8 -9.709 2.287 -5.069 1.00 2.63 H new ATOM 0 HH12 ARG A 8 -10.683 3.150 -3.875 1.00 2.63 H new ATOM 0 HH21 ARG A 8 -8.089 5.267 -2.901 1.00 3.56 H new ATOM 0 HH22 ARG A 8 -9.779 4.812 -2.666 1.00 3.56 H new ATOM 108 N ILE A 9 -3.697 -0.029 -5.192 1.00 0.50 N ATOM 109 CA ILE A 9 -2.490 0.282 -4.367 1.00 0.51 C ATOM 110 C ILE A 9 -2.358 1.773 -4.078 1.00 0.41 C ATOM 111 O ILE A 9 -2.719 2.643 -4.878 1.00 0.39 O ATOM 112 CB ILE A 9 -1.260 -0.286 -5.058 1.00 0.64 C ATOM 113 CG1 ILE A 9 -1.500 -1.788 -5.228 1.00 1.05 C ATOM 114 CG2 ILE A 9 0.022 -0.071 -4.238 1.00 0.92 C ATOM 115 CD1 ILE A 9 -0.315 -2.416 -5.934 1.00 1.43 C ATOM 0 H ILE A 9 -3.633 0.249 -6.171 1.00 0.50 H new ATOM 0 HA ILE A 9 -2.595 -0.192 -3.391 1.00 0.51 H new ATOM 0 HB ILE A 9 -1.117 0.223 -6.011 1.00 0.64 H new ATOM 0 HG12 ILE A 9 -1.646 -2.256 -4.254 1.00 1.05 H new ATOM 0 HG13 ILE A 9 -2.410 -1.958 -5.803 1.00 1.05 H new ATOM 0 HG21 ILE A 9 0.872 -0.494 -4.774 1.00 0.92 H new ATOM 0 HG22 ILE A 9 0.183 0.996 -4.087 1.00 0.92 H new ATOM 0 HG23 ILE A 9 -0.078 -0.563 -3.270 1.00 0.92 H new ATOM 0 HD11 ILE A 9 -0.488 -3.485 -6.054 1.00 1.43 H new ATOM 0 HD12 ILE A 9 -0.190 -1.956 -6.914 1.00 1.43 H new ATOM 0 HD13 ILE A 9 0.587 -2.258 -5.342 1.00 1.43 H new ATOM 127 N CYS A 10 -1.909 2.043 -2.865 1.00 0.40 N ATOM 128 CA CYS A 10 -1.799 3.432 -2.361 1.00 0.35 C ATOM 129 C CYS A 10 -0.349 3.879 -2.130 1.00 0.35 C ATOM 130 O CYS A 10 0.542 3.095 -1.871 1.00 0.40 O ATOM 131 CB CYS A 10 -2.464 3.441 -0.984 1.00 0.36 C ATOM 132 SG CYS A 10 -2.031 1.899 -0.105 1.00 1.19 S ATOM 0 H CYS A 10 -1.611 1.330 -2.199 1.00 0.40 H new ATOM 0 HA CYS A 10 -2.251 4.096 -3.098 1.00 0.35 H new ATOM 0 HB2 CYS A 10 -2.132 4.307 -0.411 1.00 0.36 H new ATOM 0 HB3 CYS A 10 -3.546 3.524 -1.089 1.00 0.36 H new ATOM 137 N VAL A 11 -0.155 5.171 -2.180 1.00 0.34 N ATOM 138 CA VAL A 11 1.188 5.797 -1.917 1.00 0.41 C ATOM 139 C VAL A 11 1.027 6.860 -0.810 1.00 0.41 C ATOM 140 O VAL A 11 0.045 7.567 -0.799 1.00 0.39 O ATOM 141 CB VAL A 11 1.700 6.456 -3.201 1.00 0.53 C ATOM 142 CG1 VAL A 11 3.103 7.025 -2.970 1.00 0.79 C ATOM 143 CG2 VAL A 11 1.754 5.411 -4.318 1.00 0.95 C ATOM 0 H VAL A 11 -0.891 5.843 -2.398 1.00 0.34 H new ATOM 0 HA VAL A 11 1.903 5.038 -1.598 1.00 0.41 H new ATOM 0 HB VAL A 11 1.027 7.265 -3.484 1.00 0.53 H new ATOM 0 HG11 VAL A 11 3.462 7.492 -3.887 1.00 0.79 H new ATOM 0 HG12 VAL A 11 3.068 7.768 -2.174 1.00 0.79 H new ATOM 0 HG13 VAL A 11 3.780 6.220 -2.685 1.00 0.79 H new ATOM 0 HG21 VAL A 11 2.118 5.876 -5.234 1.00 0.95 H new ATOM 0 HG22 VAL A 11 2.427 4.604 -4.029 1.00 0.95 H new ATOM 0 HG23 VAL A 11 0.756 5.008 -4.488 1.00 0.95 H new ATOM 153 N LYS A 12 1.916 6.999 0.150 1.00 0.50 N ATOM 154 CA LYS A 12 1.668 8.025 1.201 1.00 0.58 C ATOM 155 C LYS A 12 2.189 9.393 0.759 1.00 0.66 C ATOM 156 O LYS A 12 3.334 9.524 0.393 1.00 0.86 O ATOM 157 CB LYS A 12 2.490 7.600 2.426 1.00 0.77 C ATOM 158 CG LYS A 12 2.192 8.513 3.617 1.00 1.44 C ATOM 159 CD LYS A 12 3.062 8.108 4.806 1.00 1.81 C ATOM 160 CE LYS A 12 2.655 8.920 6.036 1.00 2.64 C ATOM 161 NZ LYS A 12 2.823 10.372 5.747 1.00 3.12 N ATOM 0 H LYS A 12 2.777 6.460 0.246 1.00 0.50 H new ATOM 0 HA LYS A 12 0.599 8.098 1.403 1.00 0.58 H new ATOM 0 HB2 LYS A 12 2.258 6.567 2.686 1.00 0.77 H new ATOM 0 HB3 LYS A 12 3.553 7.638 2.189 1.00 0.77 H new ATOM 0 HG2 LYS A 12 2.386 9.552 3.349 1.00 1.44 H new ATOM 0 HG3 LYS A 12 1.138 8.445 3.885 1.00 1.44 H new ATOM 0 HD2 LYS A 12 2.949 7.043 5.007 1.00 1.81 H new ATOM 0 HD3 LYS A 12 4.114 8.279 4.576 1.00 1.81 H new ATOM 0 HE2 LYS A 12 1.619 8.708 6.299 1.00 2.64 H new ATOM 0 HE3 LYS A 12 3.266 8.635 6.892 1.00 2.64 H new ATOM 0 HZ1 LYS A 12 2.128 10.918 6.296 1.00 3.12 H new ATOM 0 HZ2 LYS A 12 3.784 10.670 6.011 1.00 3.12 H new ATOM 0 HZ3 LYS A 12 2.674 10.543 4.732 1.00 3.12 H new ATOM 175 N VAL A 13 1.362 10.424 0.800 1.00 0.63 N ATOM 176 CA VAL A 13 1.872 11.767 0.391 1.00 0.80 C ATOM 177 C VAL A 13 1.793 12.760 1.529 1.00 0.93 C ATOM 178 O VAL A 13 0.752 13.007 2.106 1.00 0.88 O ATOM 179 CB VAL A 13 1.013 12.302 -0.729 1.00 0.82 C ATOM 180 CG1 VAL A 13 1.590 13.622 -1.242 1.00 1.69 C ATOM 181 CG2 VAL A 13 0.980 11.283 -1.843 1.00 1.27 C ATOM 0 H VAL A 13 0.385 10.389 1.091 1.00 0.63 H new ATOM 0 HA VAL A 13 2.911 11.646 0.084 1.00 0.80 H new ATOM 0 HB VAL A 13 0.001 12.484 -0.367 1.00 0.82 H new ATOM 0 HG11 VAL A 13 0.965 14.003 -2.050 1.00 1.69 H new ATOM 0 HG12 VAL A 13 1.615 14.348 -0.430 1.00 1.69 H new ATOM 0 HG13 VAL A 13 2.602 13.457 -1.612 1.00 1.69 H new ATOM 0 HG21 VAL A 13 0.362 11.657 -2.660 1.00 1.27 H new ATOM 0 HG22 VAL A 13 1.993 11.107 -2.205 1.00 1.27 H new ATOM 0 HG23 VAL A 13 0.561 10.349 -1.469 1.00 1.27 H new ATOM 191 N LYS A 14 2.894 13.368 1.804 1.00 1.19 N ATOM 192 CA LYS A 14 2.949 14.405 2.847 1.00 1.42 C ATOM 193 C LYS A 14 4.336 15.035 2.714 1.00 1.67 C ATOM 194 O LYS A 14 5.154 14.536 1.967 1.00 1.73 O ATOM 195 CB LYS A 14 2.726 13.767 4.218 1.00 1.43 C ATOM 196 CG LYS A 14 2.469 14.855 5.247 1.00 1.52 C ATOM 197 CD LYS A 14 2.298 14.224 6.629 1.00 1.56 C ATOM 198 CE LYS A 14 1.883 15.299 7.635 1.00 2.28 C ATOM 199 NZ LYS A 14 0.571 15.879 7.230 1.00 2.43 N ATOM 0 H LYS A 14 3.783 13.185 1.338 1.00 1.19 H new ATOM 0 HA LYS A 14 2.175 15.165 2.739 1.00 1.42 H new ATOM 0 HB2 LYS A 14 1.879 13.082 4.179 1.00 1.43 H new ATOM 0 HB3 LYS A 14 3.599 13.180 4.504 1.00 1.43 H new ATOM 0 HG2 LYS A 14 3.299 15.562 5.259 1.00 1.52 H new ATOM 0 HG3 LYS A 14 1.575 15.418 4.980 1.00 1.52 H new ATOM 0 HD2 LYS A 14 1.544 13.437 6.590 1.00 1.56 H new ATOM 0 HD3 LYS A 14 3.231 13.757 6.945 1.00 1.56 H new ATOM 0 HE2 LYS A 14 1.810 14.869 8.634 1.00 2.28 H new ATOM 0 HE3 LYS A 14 2.640 16.082 7.680 1.00 2.28 H new ATOM 0 HZ1 LYS A 14 0.090 16.267 8.066 1.00 2.43 H new ATOM 0 HZ2 LYS A 14 0.726 16.638 6.536 1.00 2.43 H new ATOM 0 HZ3 LYS A 14 -0.020 15.137 6.804 1.00 2.43 H new ATOM 213 N GLY A 15 4.644 16.088 3.402 1.00 1.91 N ATOM 214 CA GLY A 15 6.011 16.655 3.248 1.00 2.20 C ATOM 215 C GLY A 15 6.944 15.921 4.215 1.00 2.22 C ATOM 216 O GLY A 15 6.521 15.053 4.950 1.00 2.26 O ATOM 0 H GLY A 15 4.028 16.576 4.052 1.00 1.91 H new ATOM 0 HA2 GLY A 15 6.358 16.537 2.221 1.00 2.20 H new ATOM 0 HA3 GLY A 15 6.006 17.724 3.462 1.00 2.20 H new ATOM 220 N ARG A 16 8.204 16.253 4.205 1.00 2.31 N ATOM 221 CA ARG A 16 9.189 15.572 5.103 1.00 2.37 C ATOM 222 C ARG A 16 8.913 14.055 5.190 1.00 2.28 C ATOM 223 O ARG A 16 8.073 13.603 5.940 1.00 2.27 O ATOM 224 CB ARG A 16 9.100 16.196 6.497 1.00 2.49 C ATOM 225 CG ARG A 16 10.192 15.617 7.401 1.00 2.87 C ATOM 226 CD ARG A 16 10.036 16.190 8.811 1.00 3.02 C ATOM 227 NE ARG A 16 10.183 17.672 8.757 1.00 3.63 N ATOM 228 CZ ARG A 16 9.689 18.414 9.711 1.00 4.15 C ATOM 229 NH1 ARG A 16 9.068 17.858 10.715 1.00 4.18 N ATOM 230 NH2 ARG A 16 9.815 19.711 9.658 1.00 4.93 N ATOM 0 H ARG A 16 8.602 16.976 3.606 1.00 2.31 H new ATOM 0 HA ARG A 16 10.190 15.706 4.692 1.00 2.37 H new ATOM 0 HB2 ARG A 16 9.210 17.278 6.428 1.00 2.49 H new ATOM 0 HB3 ARG A 16 8.118 16.002 6.929 1.00 2.49 H new ATOM 0 HG2 ARG A 16 10.120 14.530 7.428 1.00 2.87 H new ATOM 0 HG3 ARG A 16 11.177 15.861 7.003 1.00 2.87 H new ATOM 0 HD2 ARG A 16 9.061 15.924 9.219 1.00 3.02 H new ATOM 0 HD3 ARG A 16 10.787 15.762 9.475 1.00 3.02 H new ATOM 0 HE ARG A 16 10.670 18.107 7.974 1.00 3.63 H new ATOM 0 HH11 ARG A 16 8.968 16.844 10.755 1.00 4.18 H new ATOM 0 HH12 ARG A 16 8.682 18.438 11.460 1.00 4.18 H new ATOM 0 HH21 ARG A 16 10.299 20.145 8.872 1.00 4.93 H new ATOM 0 HH22 ARG A 16 9.429 20.292 10.403 1.00 4.93 H new ATOM 244 N GLU A 17 9.669 13.282 4.444 1.00 2.28 N ATOM 245 CA GLU A 17 9.563 11.785 4.442 1.00 2.23 C ATOM 246 C GLU A 17 8.140 11.276 4.669 1.00 1.93 C ATOM 247 O GLU A 17 7.598 11.351 5.753 1.00 2.50 O ATOM 248 CB GLU A 17 10.467 11.211 5.540 1.00 2.57 C ATOM 249 CG GLU A 17 10.490 9.675 5.456 1.00 2.68 C ATOM 250 CD GLU A 17 11.316 9.116 6.616 1.00 2.78 C ATOM 251 OE1 GLU A 17 11.788 9.907 7.416 1.00 3.13 O ATOM 252 OE2 GLU A 17 11.459 7.907 6.686 1.00 3.04 O ATOM 0 H GLU A 17 10.383 13.643 3.812 1.00 2.28 H new ATOM 0 HA GLU A 17 9.873 11.453 3.451 1.00 2.23 H new ATOM 0 HB2 GLU A 17 11.478 11.604 5.432 1.00 2.57 H new ATOM 0 HB3 GLU A 17 10.106 11.524 6.520 1.00 2.57 H new ATOM 0 HG2 GLU A 17 9.474 9.282 5.496 1.00 2.68 H new ATOM 0 HG3 GLU A 17 10.917 9.358 4.505 1.00 2.68 H new ATOM 259 N ALA A 18 7.541 10.731 3.648 1.00 1.46 N ATOM 260 CA ALA A 18 6.169 10.193 3.783 1.00 1.34 C ATOM 261 C ALA A 18 5.772 9.437 2.529 1.00 1.18 C ATOM 262 O ALA A 18 4.624 9.198 2.316 1.00 1.77 O ATOM 263 CB ALA A 18 5.198 11.340 4.016 1.00 1.78 C ATOM 0 H ALA A 18 7.951 10.637 2.719 1.00 1.46 H new ATOM 0 HA ALA A 18 6.139 9.507 4.630 1.00 1.34 H new ATOM 0 HB1 ALA A 18 4.187 10.946 4.116 1.00 1.78 H new ATOM 0 HB2 ALA A 18 5.473 11.870 4.928 1.00 1.78 H new ATOM 0 HB3 ALA A 18 5.238 12.028 3.171 1.00 1.78 H new ATOM 269 N GLY A 19 6.706 9.073 1.689 1.00 1.06 N ATOM 270 CA GLY A 19 6.379 8.310 0.459 1.00 1.02 C ATOM 271 C GLY A 19 6.570 6.831 0.771 1.00 0.78 C ATOM 272 O GLY A 19 7.681 6.350 0.878 1.00 0.90 O ATOM 0 H GLY A 19 7.698 9.279 1.810 1.00 1.06 H new ATOM 0 HA2 GLY A 19 5.353 8.506 0.148 1.00 1.02 H new ATOM 0 HA3 GLY A 19 7.026 8.615 -0.364 1.00 1.02 H new ATOM 276 N SER A 20 5.505 6.090 0.831 1.00 0.62 N ATOM 277 CA SER A 20 5.633 4.626 1.031 1.00 0.54 C ATOM 278 C SER A 20 4.553 3.962 0.187 1.00 0.48 C ATOM 279 O SER A 20 3.447 4.461 0.116 1.00 0.53 O ATOM 280 CB SER A 20 5.442 4.300 2.515 1.00 0.71 C ATOM 281 OG SER A 20 6.499 4.891 3.261 1.00 1.36 O ATOM 0 H SER A 20 4.549 6.436 0.750 1.00 0.62 H new ATOM 0 HA SER A 20 6.617 4.264 0.732 1.00 0.54 H new ATOM 0 HB2 SER A 20 4.480 4.677 2.862 1.00 0.71 H new ATOM 0 HB3 SER A 20 5.434 3.220 2.665 1.00 0.71 H new ATOM 0 HG SER A 20 6.382 4.687 4.212 1.00 1.36 H new ATOM 287 N LYS A 21 4.826 2.870 -0.471 1.00 0.45 N ATOM 288 CA LYS A 21 3.768 2.246 -1.312 1.00 0.44 C ATOM 289 C LYS A 21 3.041 1.171 -0.513 1.00 0.39 C ATOM 290 O LYS A 21 3.649 0.410 0.213 1.00 0.39 O ATOM 291 CB LYS A 21 4.438 1.611 -2.529 1.00 0.51 C ATOM 292 CG LYS A 21 5.258 0.407 -2.073 1.00 1.45 C ATOM 293 CD LYS A 21 6.060 -0.136 -3.240 1.00 1.74 C ATOM 294 CE LYS A 21 6.643 -1.506 -2.868 1.00 2.27 C ATOM 295 NZ LYS A 21 6.442 -1.776 -1.416 1.00 3.16 N ATOM 0 H LYS A 21 5.725 2.388 -0.464 1.00 0.45 H new ATOM 0 HA LYS A 21 3.046 3.000 -1.626 1.00 0.44 H new ATOM 0 HB2 LYS A 21 3.685 1.301 -3.254 1.00 0.51 H new ATOM 0 HB3 LYS A 21 5.080 2.337 -3.027 1.00 0.51 H new ATOM 0 HG2 LYS A 21 5.927 0.696 -1.263 1.00 1.45 H new ATOM 0 HG3 LYS A 21 4.598 -0.367 -1.681 1.00 1.45 H new ATOM 0 HD2 LYS A 21 5.424 -0.227 -4.121 1.00 1.74 H new ATOM 0 HD3 LYS A 21 6.863 0.555 -3.496 1.00 1.74 H new ATOM 0 HE2 LYS A 21 6.164 -2.286 -3.460 1.00 2.27 H new ATOM 0 HE3 LYS A 21 7.706 -1.533 -3.106 1.00 2.27 H new ATOM 0 HZ1 LYS A 21 6.586 -2.789 -1.228 1.00 3.16 H new ATOM 0 HZ2 LYS A 21 7.125 -1.221 -0.862 1.00 3.16 H new ATOM 0 HZ3 LYS A 21 5.475 -1.507 -1.144 1.00 3.16 H new ATOM 309 N CYS A 22 1.750 1.101 -0.636 1.00 0.39 N ATOM 310 CA CYS A 22 0.999 0.064 0.114 1.00 0.38 C ATOM 311 C CYS A 22 -0.144 -0.499 -0.717 1.00 0.36 C ATOM 312 O CYS A 22 -0.654 0.151 -1.605 1.00 0.39 O ATOM 313 CB CYS A 22 0.405 0.695 1.359 1.00 0.46 C ATOM 314 SG CYS A 22 -0.337 2.312 0.936 1.00 0.78 S ATOM 0 H CYS A 22 1.183 1.715 -1.221 1.00 0.39 H new ATOM 0 HA CYS A 22 1.689 -0.742 0.364 1.00 0.38 H new ATOM 0 HB2 CYS A 22 -0.352 0.037 1.786 1.00 0.46 H new ATOM 0 HB3 CYS A 22 1.178 0.826 2.116 1.00 0.46 H new ATOM 319 N VAL A 23 -0.593 -1.680 -0.384 1.00 0.34 N ATOM 320 CA VAL A 23 -1.749 -2.266 -1.105 1.00 0.35 C ATOM 321 C VAL A 23 -2.954 -2.122 -0.166 1.00 0.37 C ATOM 322 O VAL A 23 -2.849 -2.364 1.019 1.00 0.39 O ATOM 323 CB VAL A 23 -1.483 -3.749 -1.393 1.00 0.39 C ATOM 324 CG1 VAL A 23 -2.607 -4.335 -2.258 1.00 0.43 C ATOM 325 CG2 VAL A 23 -0.142 -3.899 -2.114 1.00 0.41 C ATOM 0 H VAL A 23 -0.205 -2.262 0.359 1.00 0.34 H new ATOM 0 HA VAL A 23 -1.924 -1.766 -2.058 1.00 0.35 H new ATOM 0 HB VAL A 23 -1.450 -4.292 -0.448 1.00 0.39 H new ATOM 0 HG11 VAL A 23 -2.404 -5.388 -2.454 1.00 0.43 H new ATOM 0 HG12 VAL A 23 -3.557 -4.240 -1.733 1.00 0.43 H new ATOM 0 HG13 VAL A 23 -2.659 -3.794 -3.203 1.00 0.43 H new ATOM 0 HG21 VAL A 23 0.046 -4.953 -2.318 1.00 0.41 H new ATOM 0 HG22 VAL A 23 -0.170 -3.347 -3.054 1.00 0.41 H new ATOM 0 HG23 VAL A 23 0.656 -3.504 -1.485 1.00 0.41 H new ATOM 335 N ILE A 24 -4.083 -1.682 -0.669 1.00 0.37 N ATOM 336 CA ILE A 24 -5.260 -1.471 0.236 1.00 0.41 C ATOM 337 C ILE A 24 -6.186 -2.678 0.191 1.00 0.41 C ATOM 338 O ILE A 24 -6.554 -3.134 -0.874 1.00 0.41 O ATOM 339 CB ILE A 24 -6.059 -0.259 -0.251 1.00 0.44 C ATOM 340 CG1 ILE A 24 -5.155 0.970 -0.312 1.00 0.45 C ATOM 341 CG2 ILE A 24 -7.218 0.009 0.711 1.00 0.48 C ATOM 342 CD1 ILE A 24 -5.924 2.140 -0.932 1.00 0.51 C ATOM 0 H ILE A 24 -4.241 -1.462 -1.652 1.00 0.37 H new ATOM 0 HA ILE A 24 -4.892 -1.319 1.251 1.00 0.41 H new ATOM 0 HB ILE A 24 -6.450 -0.466 -1.247 1.00 0.44 H new ATOM 0 HG12 ILE A 24 -4.815 1.234 0.689 1.00 0.45 H new ATOM 0 HG13 ILE A 24 -4.266 0.751 -0.903 1.00 0.45 H new ATOM 0 HG21 ILE A 24 -7.787 0.872 0.364 1.00 0.48 H new ATOM 0 HG22 ILE A 24 -7.870 -0.864 0.748 1.00 0.48 H new ATOM 0 HG23 ILE A 24 -6.825 0.210 1.707 1.00 0.48 H new ATOM 0 HD11 ILE A 24 -5.279 3.017 -0.975 1.00 0.51 H new ATOM 0 HD12 ILE A 24 -6.242 1.873 -1.940 1.00 0.51 H new ATOM 0 HD13 ILE A 24 -6.800 2.364 -0.323 1.00 0.51 H new ATOM 354 N VAL A 25 -6.631 -3.165 1.333 1.00 0.44 N ATOM 355 CA VAL A 25 -7.601 -4.291 1.267 1.00 0.45 C ATOM 356 C VAL A 25 -8.551 -4.352 2.465 1.00 0.65 C ATOM 357 O VAL A 25 -8.557 -5.331 3.176 1.00 1.30 O ATOM 358 CB VAL A 25 -6.779 -5.582 1.282 1.00 0.65 C ATOM 359 CG1 VAL A 25 -5.995 -5.728 -0.021 1.00 1.10 C ATOM 360 CG2 VAL A 25 -5.773 -5.556 2.443 1.00 0.68 C ATOM 0 H VAL A 25 -6.373 -2.842 2.266 1.00 0.44 H new ATOM 0 HA VAL A 25 -8.208 -4.156 0.372 1.00 0.45 H new ATOM 0 HB VAL A 25 -7.469 -6.418 1.399 1.00 0.65 H new ATOM 0 HG11 VAL A 25 -5.415 -6.651 0.005 1.00 1.10 H new ATOM 0 HG12 VAL A 25 -6.688 -5.758 -0.861 1.00 1.10 H new ATOM 0 HG13 VAL A 25 -5.321 -4.879 -0.137 1.00 1.10 H new ATOM 0 HG21 VAL A 25 -5.194 -6.480 2.444 1.00 0.68 H new ATOM 0 HG22 VAL A 25 -5.101 -4.706 2.323 1.00 0.68 H new ATOM 0 HG23 VAL A 25 -6.310 -5.464 3.387 1.00 0.68 H new ATOM 370 N ASP A 26 -9.464 -3.424 2.597 1.00 0.41 N ATOM 371 CA ASP A 26 -10.518 -3.544 3.656 1.00 0.53 C ATOM 372 C ASP A 26 -11.315 -2.252 3.745 1.00 0.43 C ATOM 373 O ASP A 26 -10.756 -1.174 3.594 1.00 0.45 O ATOM 374 CB ASP A 26 -9.949 -3.798 5.047 1.00 0.76 C ATOM 375 CG ASP A 26 -11.089 -4.182 5.994 1.00 0.99 C ATOM 376 OD1 ASP A 26 -12.203 -4.328 5.521 1.00 1.48 O ATOM 377 OD2 ASP A 26 -10.826 -4.322 7.177 1.00 1.56 O ATOM 0 H ASP A 26 -9.527 -2.587 2.018 1.00 0.41 H new ATOM 0 HA ASP A 26 -11.133 -4.394 3.361 1.00 0.53 H new ATOM 0 HB2 ASP A 26 -9.207 -4.596 5.010 1.00 0.76 H new ATOM 0 HB3 ASP A 26 -9.440 -2.906 5.413 1.00 0.76 H new ATOM 382 N ILE A 27 -12.542 -2.344 4.175 1.00 0.57 N ATOM 383 CA ILE A 27 -13.335 -1.121 4.478 1.00 0.65 C ATOM 384 C ILE A 27 -13.619 -1.256 5.973 1.00 0.63 C ATOM 385 O ILE A 27 -14.041 -2.310 6.406 1.00 0.79 O ATOM 386 CB ILE A 27 -14.645 -1.118 3.684 1.00 0.94 C ATOM 387 CG1 ILE A 27 -14.335 -1.220 2.188 1.00 1.59 C ATOM 388 CG2 ILE A 27 -15.401 0.182 3.959 1.00 1.36 C ATOM 389 CD1 ILE A 27 -15.641 -1.343 1.401 1.00 1.80 C ATOM 0 H ILE A 27 -13.034 -3.224 4.331 1.00 0.57 H new ATOM 0 HA ILE A 27 -12.818 -0.198 4.217 1.00 0.65 H new ATOM 0 HB ILE A 27 -15.257 -1.968 3.987 1.00 0.94 H new ATOM 0 HG12 ILE A 27 -13.782 -0.340 1.860 1.00 1.59 H new ATOM 0 HG13 ILE A 27 -13.700 -2.085 1.996 1.00 1.59 H new ATOM 0 HG21 ILE A 27 -16.334 0.187 3.395 1.00 1.36 H new ATOM 0 HG22 ILE A 27 -15.620 0.257 5.024 1.00 1.36 H new ATOM 0 HG23 ILE A 27 -14.788 1.031 3.654 1.00 1.36 H new ATOM 0 HD11 ILE A 27 -15.419 -1.415 0.336 1.00 1.80 H new ATOM 0 HD12 ILE A 27 -16.176 -2.237 1.722 1.00 1.80 H new ATOM 0 HD13 ILE A 27 -16.260 -0.464 1.583 1.00 1.80 H new ATOM 401 N ILE A 28 -13.335 -0.278 6.794 1.00 0.57 N ATOM 402 CA ILE A 28 -13.533 -0.477 8.257 1.00 0.58 C ATOM 403 C ILE A 28 -14.844 0.147 8.745 1.00 0.66 C ATOM 404 O ILE A 28 -15.926 -0.286 8.399 1.00 0.71 O ATOM 405 CB ILE A 28 -12.374 0.242 8.941 1.00 0.57 C ATOM 406 CG1 ILE A 28 -11.027 -0.202 8.360 1.00 0.68 C ATOM 407 CG2 ILE A 28 -12.368 -0.016 10.448 1.00 0.61 C ATOM 408 CD1 ILE A 28 -10.951 -1.719 8.275 1.00 0.77 C ATOM 0 H ILE A 28 -12.979 0.637 6.518 1.00 0.57 H new ATOM 0 HA ILE A 28 -13.572 -1.543 8.484 1.00 0.58 H new ATOM 0 HB ILE A 28 -12.515 1.307 8.760 1.00 0.57 H new ATOM 0 HG12 ILE A 28 -10.893 0.230 7.368 1.00 0.68 H new ATOM 0 HG13 ILE A 28 -10.215 0.173 8.983 1.00 0.68 H new ATOM 0 HG21 ILE A 28 -11.530 0.511 10.904 1.00 0.61 H new ATOM 0 HG22 ILE A 28 -13.301 0.342 10.882 1.00 0.61 H new ATOM 0 HG23 ILE A 28 -12.269 -1.085 10.634 1.00 0.61 H new ATOM 0 HD11 ILE A 28 -9.987 -2.012 7.860 1.00 0.77 H new ATOM 0 HD12 ILE A 28 -11.062 -2.145 9.272 1.00 0.77 H new ATOM 0 HD13 ILE A 28 -11.750 -2.088 7.632 1.00 0.77 H new ATOM 420 N ASP A 29 -14.739 1.194 9.531 1.00 1.01 N ATOM 421 CA ASP A 29 -15.953 1.892 10.026 1.00 1.18 C ATOM 422 C ASP A 29 -16.734 2.473 8.861 1.00 1.33 C ATOM 423 O ASP A 29 -17.932 2.390 8.825 1.00 2.10 O ATOM 424 CB ASP A 29 -15.527 3.031 10.943 1.00 1.03 C ATOM 425 CG ASP A 29 -14.899 2.465 12.218 1.00 1.72 C ATOM 426 OD1 ASP A 29 -15.020 1.270 12.435 1.00 2.40 O ATOM 427 OD2 ASP A 29 -14.306 3.235 12.955 1.00 2.26 O ATOM 0 H ASP A 29 -13.855 1.592 9.849 1.00 1.01 H new ATOM 0 HA ASP A 29 -16.580 1.181 10.563 1.00 1.18 H new ATOM 0 HB2 ASP A 29 -14.813 3.675 10.430 1.00 1.03 H new ATOM 0 HB3 ASP A 29 -16.389 3.649 11.195 1.00 1.03 H new ATOM 432 N ASP A 30 -16.009 3.037 7.917 1.00 1.29 N ATOM 433 CA ASP A 30 -16.565 3.663 6.661 1.00 1.39 C ATOM 434 C ASP A 30 -15.484 4.546 6.009 1.00 1.13 C ATOM 435 O ASP A 30 -15.219 4.444 4.828 1.00 1.20 O ATOM 436 CB ASP A 30 -17.812 4.535 6.904 1.00 1.64 C ATOM 437 CG ASP A 30 -19.064 3.683 7.132 1.00 1.90 C ATOM 438 OD1 ASP A 30 -19.022 2.504 6.821 1.00 2.55 O ATOM 439 OD2 ASP A 30 -20.060 4.238 7.567 1.00 2.09 O ATOM 0 H ASP A 30 -14.992 3.092 7.971 1.00 1.29 H new ATOM 0 HA ASP A 30 -16.862 2.837 6.015 1.00 1.39 H new ATOM 0 HB2 ASP A 30 -17.645 5.175 7.770 1.00 1.64 H new ATOM 0 HB3 ASP A 30 -17.969 5.191 6.048 1.00 1.64 H new ATOM 444 N ASN A 31 -14.863 5.427 6.772 1.00 0.91 N ATOM 445 CA ASN A 31 -13.813 6.322 6.196 1.00 0.77 C ATOM 446 C ASN A 31 -12.401 5.752 6.396 1.00 0.58 C ATOM 447 O ASN A 31 -11.428 6.403 6.073 1.00 0.53 O ATOM 448 CB ASN A 31 -13.901 7.695 6.865 1.00 0.86 C ATOM 449 CG ASN A 31 -15.303 8.275 6.655 1.00 1.29 C ATOM 450 OD1 ASN A 31 -15.900 8.798 7.575 1.00 2.10 O ATOM 451 ND2 ASN A 31 -15.856 8.202 5.475 1.00 1.60 N ATOM 0 H ASN A 31 -15.043 5.559 7.767 1.00 0.91 H new ATOM 0 HA ASN A 31 -13.993 6.403 5.124 1.00 0.77 H new ATOM 0 HB2 ASN A 31 -13.688 7.607 7.930 1.00 0.86 H new ATOM 0 HB3 ASN A 31 -13.151 8.365 6.444 1.00 0.86 H new ATOM 0 HD21 ASN A 31 -16.790 8.584 5.325 1.00 1.60 H new ATOM 0 HD22 ASN A 31 -15.354 7.763 4.703 1.00 1.60 H new ATOM 458 N PHE A 32 -12.272 4.563 6.928 1.00 0.56 N ATOM 459 CA PHE A 32 -10.907 3.979 7.143 1.00 0.45 C ATOM 460 C PHE A 32 -10.732 2.708 6.301 1.00 0.45 C ATOM 461 O PHE A 32 -11.670 1.978 6.053 1.00 0.52 O ATOM 462 CB PHE A 32 -10.720 3.671 8.634 1.00 0.48 C ATOM 463 CG PHE A 32 -10.755 4.943 9.455 1.00 0.54 C ATOM 464 CD1 PHE A 32 -9.588 5.691 9.688 1.00 1.52 C ATOM 465 CD2 PHE A 32 -11.969 5.357 10.016 1.00 1.09 C ATOM 466 CE1 PHE A 32 -9.647 6.848 10.480 1.00 1.60 C ATOM 467 CE2 PHE A 32 -12.023 6.509 10.807 1.00 1.13 C ATOM 468 CZ PHE A 32 -10.863 7.253 11.041 1.00 0.80 C ATOM 0 H PHE A 32 -13.048 3.971 7.223 1.00 0.56 H new ATOM 0 HA PHE A 32 -10.150 4.697 6.828 1.00 0.45 H new ATOM 0 HB2 PHE A 32 -11.505 2.994 8.971 1.00 0.48 H new ATOM 0 HB3 PHE A 32 -9.770 3.160 8.788 1.00 0.48 H new ATOM 0 HD1 PHE A 32 -8.648 5.376 9.259 1.00 1.52 H new ATOM 0 HD2 PHE A 32 -12.867 4.785 9.837 1.00 1.09 H new ATOM 0 HE1 PHE A 32 -8.752 7.427 10.657 1.00 1.60 H new ATOM 0 HE2 PHE A 32 -12.962 6.824 11.238 1.00 1.13 H new ATOM 0 HZ PHE A 32 -10.905 8.141 11.655 1.00 0.80 H new ATOM 478 N VAL A 33 -9.526 2.464 5.850 1.00 0.40 N ATOM 479 CA VAL A 33 -9.233 1.263 5.005 1.00 0.42 C ATOM 480 C VAL A 33 -8.017 0.515 5.573 1.00 0.39 C ATOM 481 O VAL A 33 -7.229 1.078 6.308 1.00 0.36 O ATOM 482 CB VAL A 33 -8.951 1.697 3.563 1.00 0.44 C ATOM 483 CG1 VAL A 33 -10.150 2.478 3.020 1.00 0.49 C ATOM 484 CG2 VAL A 33 -7.710 2.588 3.525 1.00 0.42 C ATOM 0 H VAL A 33 -8.717 3.057 6.035 1.00 0.40 H new ATOM 0 HA VAL A 33 -10.098 0.599 5.013 1.00 0.42 H new ATOM 0 HB VAL A 33 -8.781 0.812 2.950 1.00 0.44 H new ATOM 0 HG11 VAL A 33 -9.949 2.787 1.994 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -11.037 1.844 3.041 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -10.320 3.360 3.638 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -7.513 2.894 2.498 1.00 0.42 H new ATOM 0 HG22 VAL A 33 -7.877 3.471 4.141 1.00 0.42 H new ATOM 0 HG23 VAL A 33 -6.853 2.035 3.909 1.00 0.42 H new ATOM 494 N LEU A 34 -7.833 -0.730 5.193 1.00 0.43 N ATOM 495 CA LEU A 34 -6.621 -1.481 5.683 1.00 0.44 C ATOM 496 C LEU A 34 -5.539 -1.417 4.607 1.00 0.43 C ATOM 497 O LEU A 34 -5.807 -1.655 3.446 1.00 0.47 O ATOM 498 CB LEU A 34 -6.958 -2.949 5.967 1.00 0.55 C ATOM 499 CG LEU A 34 -5.775 -3.651 6.657 1.00 0.62 C ATOM 500 CD1 LEU A 34 -6.276 -4.913 7.368 1.00 0.93 C ATOM 501 CD2 LEU A 34 -4.685 -4.034 5.639 1.00 0.73 C ATOM 0 H LEU A 34 -8.455 -1.254 4.577 1.00 0.43 H new ATOM 0 HA LEU A 34 -6.275 -1.023 6.609 1.00 0.44 H new ATOM 0 HB2 LEU A 34 -7.843 -3.009 6.600 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -7.198 -3.460 5.035 1.00 0.55 H new ATOM 0 HG LEU A 34 -5.341 -2.961 7.380 1.00 0.62 H new ATOM 0 HD11 LEU A 34 -5.439 -5.411 7.857 1.00 0.93 H new ATOM 0 HD12 LEU A 34 -7.021 -4.638 8.114 1.00 0.93 H new ATOM 0 HD13 LEU A 34 -6.724 -5.588 6.639 1.00 0.93 H new ATOM 0 HD21 LEU A 34 -3.862 -4.528 6.156 1.00 0.73 H new ATOM 0 HD22 LEU A 34 -5.104 -4.710 4.894 1.00 0.73 H new ATOM 0 HD23 LEU A 34 -4.316 -3.135 5.146 1.00 0.73 H new ATOM 513 N VAL A 35 -4.318 -1.094 4.979 1.00 0.42 N ATOM 514 CA VAL A 35 -3.228 -1.016 3.960 1.00 0.43 C ATOM 515 C VAL A 35 -2.023 -1.865 4.393 1.00 0.44 C ATOM 516 O VAL A 35 -1.766 -2.050 5.565 1.00 0.46 O ATOM 517 CB VAL A 35 -2.835 0.462 3.776 1.00 0.47 C ATOM 518 CG1 VAL A 35 -4.075 1.260 3.370 1.00 0.46 C ATOM 519 CG2 VAL A 35 -2.275 1.064 5.074 1.00 0.52 C ATOM 0 H VAL A 35 -4.036 -0.884 5.936 1.00 0.42 H new ATOM 0 HA VAL A 35 -3.577 -1.416 3.008 1.00 0.43 H new ATOM 0 HB VAL A 35 -2.064 0.513 3.008 1.00 0.47 H new ATOM 0 HG11 VAL A 35 -3.806 2.308 3.238 1.00 0.46 H new ATOM 0 HG12 VAL A 35 -4.471 0.866 2.434 1.00 0.46 H new ATOM 0 HG13 VAL A 35 -4.833 1.176 4.149 1.00 0.46 H new ATOM 0 HG21 VAL A 35 -2.009 2.107 4.906 1.00 0.52 H new ATOM 0 HG22 VAL A 35 -3.030 1.004 5.858 1.00 0.52 H new ATOM 0 HG23 VAL A 35 -1.389 0.508 5.380 1.00 0.52 H new ATOM 529 N THR A 36 -1.284 -2.377 3.438 1.00 0.45 N ATOM 530 CA THR A 36 -0.091 -3.211 3.782 1.00 0.48 C ATOM 531 C THR A 36 1.070 -2.997 2.796 1.00 0.48 C ATOM 532 O THR A 36 0.873 -2.642 1.651 1.00 0.48 O ATOM 533 CB THR A 36 -0.523 -4.685 3.822 1.00 0.56 C ATOM 534 OG1 THR A 36 0.483 -5.460 4.455 1.00 0.63 O ATOM 535 CG2 THR A 36 -0.785 -5.221 2.412 1.00 0.60 C ATOM 0 H THR A 36 -1.455 -2.254 2.440 1.00 0.45 H new ATOM 0 HA THR A 36 0.284 -2.907 4.759 1.00 0.48 H new ATOM 0 HB THR A 36 -1.451 -4.756 4.389 1.00 0.56 H new ATOM 0 HG1 THR A 36 1.190 -4.869 4.788 1.00 0.63 H new ATOM 0 HG21 THR A 36 -1.089 -6.266 2.471 1.00 0.60 H new ATOM 0 HG22 THR A 36 -1.578 -4.638 1.943 1.00 0.60 H new ATOM 0 HG23 THR A 36 0.125 -5.141 1.817 1.00 0.60 H new ATOM 543 N GLY A 37 2.276 -3.249 3.238 1.00 0.52 N ATOM 544 CA GLY A 37 3.465 -3.112 2.346 1.00 0.55 C ATOM 545 C GLY A 37 4.550 -4.071 2.847 1.00 0.70 C ATOM 546 O GLY A 37 4.435 -4.616 3.926 1.00 0.84 O ATOM 0 H GLY A 37 2.489 -3.547 4.190 1.00 0.52 H new ATOM 0 HA2 GLY A 37 3.197 -3.346 1.316 1.00 0.55 H new ATOM 0 HA3 GLY A 37 3.831 -2.085 2.355 1.00 0.55 H new ATOM 550 N PRO A 38 5.600 -4.284 2.099 1.00 0.74 N ATOM 551 CA PRO A 38 6.688 -5.186 2.552 1.00 0.93 C ATOM 552 C PRO A 38 7.447 -4.525 3.701 1.00 0.99 C ATOM 553 O PRO A 38 8.132 -3.539 3.515 1.00 0.94 O ATOM 554 CB PRO A 38 7.575 -5.348 1.318 1.00 0.94 C ATOM 555 CG PRO A 38 7.298 -4.152 0.470 1.00 0.82 C ATOM 556 CD PRO A 38 5.874 -3.692 0.790 1.00 0.69 C ATOM 0 HA PRO A 38 6.334 -6.148 2.923 1.00 0.93 H new ATOM 0 HB2 PRO A 38 8.628 -5.398 1.595 1.00 0.94 H new ATOM 0 HB3 PRO A 38 7.342 -6.270 0.785 1.00 0.94 H new ATOM 0 HG2 PRO A 38 8.015 -3.358 0.678 1.00 0.82 H new ATOM 0 HG3 PRO A 38 7.394 -4.399 -0.587 1.00 0.82 H new ATOM 0 HD2 PRO A 38 5.802 -2.605 0.820 1.00 0.69 H new ATOM 0 HD3 PRO A 38 5.164 -4.037 0.039 1.00 0.69 H new ATOM 564 N LYS A 39 7.317 -5.036 4.887 1.00 1.20 N ATOM 565 CA LYS A 39 8.018 -4.403 6.037 1.00 1.37 C ATOM 566 C LYS A 39 9.535 -4.368 5.811 1.00 1.39 C ATOM 567 O LYS A 39 10.209 -3.427 6.169 1.00 1.45 O ATOM 568 CB LYS A 39 7.717 -5.200 7.308 1.00 1.66 C ATOM 569 CG LYS A 39 8.303 -4.476 8.526 1.00 2.17 C ATOM 570 CD LYS A 39 8.051 -5.310 9.782 1.00 2.45 C ATOM 571 CE LYS A 39 8.461 -4.510 11.020 1.00 3.15 C ATOM 572 NZ LYS A 39 7.419 -3.486 11.315 1.00 3.44 N ATOM 0 H LYS A 39 6.760 -5.860 5.113 1.00 1.20 H new ATOM 0 HA LYS A 39 7.662 -3.378 6.136 1.00 1.37 H new ATOM 0 HB2 LYS A 39 6.640 -5.319 7.427 1.00 1.66 H new ATOM 0 HB3 LYS A 39 8.141 -6.201 7.230 1.00 1.66 H new ATOM 0 HG2 LYS A 39 9.373 -4.318 8.389 1.00 2.17 H new ATOM 0 HG3 LYS A 39 7.847 -3.492 8.632 1.00 2.17 H new ATOM 0 HD2 LYS A 39 6.997 -5.582 9.845 1.00 2.45 H new ATOM 0 HD3 LYS A 39 8.618 -6.240 9.733 1.00 2.45 H new ATOM 0 HE2 LYS A 39 8.583 -5.177 11.873 1.00 3.15 H new ATOM 0 HE3 LYS A 39 9.424 -4.027 10.852 1.00 3.15 H new ATOM 0 HZ1 LYS A 39 7.567 -3.106 12.272 1.00 3.44 H new ATOM 0 HZ2 LYS A 39 7.485 -2.714 10.622 1.00 3.44 H new ATOM 0 HZ3 LYS A 39 6.477 -3.923 11.258 1.00 3.44 H new ATOM 586 N ASP A 40 10.082 -5.410 5.256 1.00 1.42 N ATOM 587 CA ASP A 40 11.559 -5.451 5.049 1.00 1.48 C ATOM 588 C ASP A 40 12.047 -4.358 4.091 1.00 1.35 C ATOM 589 O ASP A 40 13.106 -3.790 4.282 1.00 1.42 O ATOM 590 CB ASP A 40 11.942 -6.818 4.478 1.00 1.59 C ATOM 591 CG ASP A 40 11.673 -7.902 5.524 1.00 1.79 C ATOM 592 OD1 ASP A 40 11.461 -7.549 6.673 1.00 2.27 O ATOM 593 OD2 ASP A 40 11.687 -9.067 5.159 1.00 2.01 O ATOM 0 H ASP A 40 9.574 -6.235 4.936 1.00 1.42 H new ATOM 0 HA ASP A 40 12.033 -5.279 6.015 1.00 1.48 H new ATOM 0 HB2 ASP A 40 11.368 -7.020 3.574 1.00 1.59 H new ATOM 0 HB3 ASP A 40 12.995 -6.824 4.195 1.00 1.59 H new ATOM 598 N ILE A 41 11.317 -4.102 3.038 1.00 1.20 N ATOM 599 CA ILE A 41 11.784 -3.092 2.039 1.00 1.13 C ATOM 600 C ILE A 41 11.166 -1.713 2.256 1.00 1.03 C ATOM 601 O ILE A 41 11.816 -0.810 2.746 1.00 1.27 O ATOM 602 CB ILE A 41 11.488 -3.638 0.650 1.00 1.10 C ATOM 603 CG1 ILE A 41 12.265 -4.955 0.523 1.00 1.29 C ATOM 604 CG2 ILE A 41 11.956 -2.637 -0.413 1.00 1.11 C ATOM 605 CD1 ILE A 41 11.929 -5.654 -0.785 1.00 2.05 C ATOM 0 H ILE A 41 10.423 -4.544 2.826 1.00 1.20 H new ATOM 0 HA ILE A 41 12.856 -2.938 2.160 1.00 1.13 H new ATOM 0 HB ILE A 41 10.420 -3.801 0.505 1.00 1.10 H new ATOM 0 HG12 ILE A 41 13.336 -4.757 0.571 1.00 1.29 H new ATOM 0 HG13 ILE A 41 12.024 -5.608 1.362 1.00 1.29 H new ATOM 0 HG21 ILE A 41 11.741 -3.033 -1.405 1.00 1.11 H new ATOM 0 HG22 ILE A 41 11.431 -1.691 -0.279 1.00 1.11 H new ATOM 0 HG23 ILE A 41 13.029 -2.474 -0.312 1.00 1.11 H new ATOM 0 HD11 ILE A 41 12.491 -6.585 -0.855 1.00 2.05 H new ATOM 0 HD12 ILE A 41 10.861 -5.871 -0.818 1.00 2.05 H new ATOM 0 HD13 ILE A 41 12.194 -5.007 -1.622 1.00 2.05 H new ATOM 617 N THR A 42 9.940 -1.512 1.858 1.00 0.78 N ATOM 618 CA THR A 42 9.311 -0.174 1.999 1.00 0.75 C ATOM 619 C THR A 42 9.239 0.203 3.481 1.00 0.90 C ATOM 620 O THR A 42 9.393 1.352 3.847 1.00 1.07 O ATOM 621 CB THR A 42 7.911 -0.245 1.392 1.00 0.56 C ATOM 622 OG1 THR A 42 8.016 -0.746 0.068 1.00 1.03 O ATOM 623 CG2 THR A 42 7.287 1.148 1.343 1.00 1.10 C ATOM 0 H THR A 42 9.344 -2.225 1.438 1.00 0.78 H new ATOM 0 HA THR A 42 9.897 0.587 1.483 1.00 0.75 H new ATOM 0 HB THR A 42 7.285 -0.896 2.002 1.00 0.56 H new ATOM 0 HG1 THR A 42 8.212 -0.008 -0.546 1.00 1.03 H new ATOM 0 HG21 THR A 42 6.289 1.085 0.908 1.00 1.10 H new ATOM 0 HG22 THR A 42 7.218 1.551 2.353 1.00 1.10 H new ATOM 0 HG23 THR A 42 7.908 1.804 0.732 1.00 1.10 H new ATOM 631 N GLY A 43 9.022 -0.761 4.329 1.00 0.93 N ATOM 632 CA GLY A 43 8.954 -0.494 5.796 1.00 1.12 C ATOM 633 C GLY A 43 7.510 -0.475 6.304 1.00 0.97 C ATOM 634 O GLY A 43 7.289 -0.498 7.499 1.00 1.10 O ATOM 0 H GLY A 43 8.887 -1.737 4.067 1.00 0.93 H new ATOM 0 HA2 GLY A 43 9.518 -1.258 6.331 1.00 1.12 H new ATOM 0 HA3 GLY A 43 9.429 0.463 6.014 1.00 1.12 H new ATOM 638 N VAL A 44 6.518 -0.464 5.451 1.00 0.78 N ATOM 639 CA VAL A 44 5.117 -0.479 5.974 1.00 0.70 C ATOM 640 C VAL A 44 4.666 -1.939 6.089 1.00 0.72 C ATOM 641 O VAL A 44 4.769 -2.689 5.145 1.00 0.80 O ATOM 642 CB VAL A 44 4.219 0.276 4.982 1.00 0.61 C ATOM 643 CG1 VAL A 44 4.199 1.763 5.337 1.00 0.79 C ATOM 644 CG2 VAL A 44 4.783 0.129 3.566 1.00 1.06 C ATOM 0 H VAL A 44 6.612 -0.446 4.435 1.00 0.78 H new ATOM 0 HA VAL A 44 5.055 0.000 6.951 1.00 0.70 H new ATOM 0 HB VAL A 44 3.212 -0.137 5.032 1.00 0.61 H new ATOM 0 HG11 VAL A 44 3.562 2.297 4.632 1.00 0.79 H new ATOM 0 HG12 VAL A 44 3.810 1.891 6.347 1.00 0.79 H new ATOM 0 HG13 VAL A 44 5.212 2.163 5.285 1.00 0.79 H new ATOM 0 HG21 VAL A 44 4.145 0.665 2.863 1.00 1.06 H new ATOM 0 HG22 VAL A 44 5.790 0.544 3.531 1.00 1.06 H new ATOM 0 HG23 VAL A 44 4.815 -0.926 3.295 1.00 1.06 H new ATOM 654 N LYS A 45 4.161 -2.352 7.231 1.00 0.80 N ATOM 655 CA LYS A 45 3.704 -3.779 7.362 1.00 0.91 C ATOM 656 C LYS A 45 2.206 -3.891 7.096 1.00 0.78 C ATOM 657 O LYS A 45 1.763 -4.305 6.046 1.00 0.83 O ATOM 658 CB LYS A 45 3.992 -4.287 8.780 1.00 1.14 C ATOM 659 CG LYS A 45 3.662 -5.784 8.865 1.00 1.87 C ATOM 660 CD LYS A 45 3.869 -6.279 10.299 1.00 2.04 C ATOM 661 CE LYS A 45 3.672 -7.796 10.354 1.00 2.84 C ATOM 662 NZ LYS A 45 4.894 -8.438 10.912 1.00 3.49 N ATOM 0 H LYS A 45 4.046 -1.776 8.065 1.00 0.80 H new ATOM 0 HA LYS A 45 4.245 -4.379 6.630 1.00 0.91 H new ATOM 0 HB2 LYS A 45 5.039 -4.120 9.032 1.00 1.14 H new ATOM 0 HB3 LYS A 45 3.397 -3.731 9.505 1.00 1.14 H new ATOM 0 HG2 LYS A 45 2.631 -5.957 8.556 1.00 1.87 H new ATOM 0 HG3 LYS A 45 4.298 -6.346 8.181 1.00 1.87 H new ATOM 0 HD2 LYS A 45 4.870 -6.020 10.643 1.00 2.04 H new ATOM 0 HD3 LYS A 45 3.165 -5.786 10.969 1.00 2.04 H new ATOM 0 HE2 LYS A 45 2.807 -8.038 10.972 1.00 2.84 H new ATOM 0 HE3 LYS A 45 3.469 -8.183 9.355 1.00 2.84 H new ATOM 0 HZ1 LYS A 45 4.759 -9.469 10.949 1.00 3.49 H new ATOM 0 HZ2 LYS A 45 5.710 -8.217 10.306 1.00 3.49 H new ATOM 0 HZ3 LYS A 45 5.068 -8.077 11.872 1.00 3.49 H new ATOM 676 N ARG A 46 1.437 -3.473 8.062 1.00 0.67 N ATOM 677 CA ARG A 46 -0.044 -3.472 7.952 1.00 0.59 C ATOM 678 C ARG A 46 -0.554 -2.313 8.772 1.00 0.54 C ATOM 679 O ARG A 46 -0.256 -2.230 9.948 1.00 0.59 O ATOM 680 CB ARG A 46 -0.598 -4.744 8.585 1.00 0.62 C ATOM 681 CG ARG A 46 -2.119 -4.788 8.422 1.00 0.62 C ATOM 682 CD ARG A 46 -2.653 -6.005 9.164 1.00 0.73 C ATOM 683 NE ARG A 46 -4.113 -6.137 8.921 1.00 1.39 N ATOM 684 CZ ARG A 46 -4.723 -7.262 9.177 1.00 1.89 C ATOM 685 NH1 ARG A 46 -4.060 -8.268 9.676 1.00 2.10 N ATOM 686 NH2 ARG A 46 -6.001 -7.378 8.941 1.00 2.78 N ATOM 0 H ARG A 46 1.789 -3.121 8.952 1.00 0.67 H new ATOM 0 HA ARG A 46 -0.344 -3.405 6.906 1.00 0.59 H new ATOM 0 HB2 ARG A 46 -0.148 -5.619 8.117 1.00 0.62 H new ATOM 0 HB3 ARG A 46 -0.336 -4.778 9.642 1.00 0.62 H new ATOM 0 HG2 ARG A 46 -2.568 -3.877 8.817 1.00 0.62 H new ATOM 0 HG3 ARG A 46 -2.385 -4.842 7.366 1.00 0.62 H new ATOM 0 HD2 ARG A 46 -2.136 -6.904 8.828 1.00 0.73 H new ATOM 0 HD3 ARG A 46 -2.460 -5.906 10.232 1.00 0.73 H new ATOM 0 HE ARG A 46 -4.640 -5.345 8.553 1.00 1.39 H new ATOM 0 HH11 ARG A 46 -3.062 -8.177 9.867 1.00 2.10 H new ATOM 0 HH12 ARG A 46 -4.539 -9.146 9.875 1.00 2.10 H new ATOM 0 HH21 ARG A 46 -6.522 -6.590 8.557 1.00 2.78 H new ATOM 0 HH22 ARG A 46 -6.479 -8.257 9.141 1.00 2.78 H new ATOM 700 N ARG A 47 -1.326 -1.428 8.239 1.00 0.50 N ATOM 701 CA ARG A 47 -1.826 -0.337 9.087 1.00 0.51 C ATOM 702 C ARG A 47 -3.110 0.240 8.475 1.00 0.43 C ATOM 703 O ARG A 47 -3.426 -0.021 7.334 1.00 0.40 O ATOM 704 CB ARG A 47 -0.724 0.713 9.249 1.00 0.65 C ATOM 705 CG ARG A 47 -0.306 1.238 7.875 1.00 0.69 C ATOM 706 CD ARG A 47 0.925 2.130 8.025 1.00 0.88 C ATOM 707 NE ARG A 47 0.615 3.246 8.963 1.00 1.51 N ATOM 708 CZ ARG A 47 -0.152 4.228 8.577 1.00 2.07 C ATOM 709 NH1 ARG A 47 -0.648 4.232 7.369 1.00 2.26 N ATOM 710 NH2 ARG A 47 -0.424 5.205 9.396 1.00 3.10 N ATOM 0 H ARG A 47 -1.629 -1.412 7.265 1.00 0.50 H new ATOM 0 HA ARG A 47 -2.082 -0.702 10.082 1.00 0.51 H new ATOM 0 HB2 ARG A 47 -1.080 1.535 9.870 1.00 0.65 H new ATOM 0 HB3 ARG A 47 0.135 0.277 9.759 1.00 0.65 H new ATOM 0 HG2 ARG A 47 -0.086 0.405 7.207 1.00 0.69 H new ATOM 0 HG3 ARG A 47 -1.124 1.801 7.424 1.00 0.69 H new ATOM 0 HD2 ARG A 47 1.766 1.548 8.400 1.00 0.88 H new ATOM 0 HD3 ARG A 47 1.220 2.528 7.054 1.00 0.88 H new ATOM 0 HE ARG A 47 1.002 3.242 9.907 1.00 1.51 H new ATOM 0 HH11 ARG A 47 -0.436 3.468 6.728 1.00 2.26 H new ATOM 0 HH12 ARG A 47 -1.248 5.000 7.067 1.00 2.26 H new ATOM 0 HH21 ARG A 47 -0.037 5.202 10.340 1.00 3.10 H new ATOM 0 HH22 ARG A 47 -1.024 5.972 9.093 1.00 3.10 H new ATOM 724 N ARG A 48 -3.860 0.992 9.234 1.00 0.46 N ATOM 725 CA ARG A 48 -5.138 1.560 8.697 1.00 0.40 C ATOM 726 C ARG A 48 -4.953 3.052 8.407 1.00 0.40 C ATOM 727 O ARG A 48 -4.301 3.754 9.152 1.00 0.49 O ATOM 728 CB ARG A 48 -6.227 1.391 9.756 1.00 0.44 C ATOM 729 CG ARG A 48 -6.496 -0.097 9.987 1.00 1.30 C ATOM 730 CD ARG A 48 -7.651 -0.256 10.977 1.00 1.32 C ATOM 731 NE ARG A 48 -7.314 0.451 12.246 1.00 1.71 N ATOM 732 CZ ARG A 48 -8.266 0.824 13.060 1.00 2.17 C ATOM 733 NH1 ARG A 48 -9.513 0.580 12.765 1.00 2.17 N ATOM 734 NH2 ARG A 48 -7.968 1.441 14.171 1.00 3.00 N ATOM 0 H ARG A 48 -3.647 1.239 10.200 1.00 0.46 H new ATOM 0 HA ARG A 48 -5.417 1.043 7.778 1.00 0.40 H new ATOM 0 HB2 ARG A 48 -5.917 1.863 10.688 1.00 0.44 H new ATOM 0 HB3 ARG A 48 -7.141 1.890 9.434 1.00 0.44 H new ATOM 0 HG2 ARG A 48 -6.741 -0.584 9.043 1.00 1.30 H new ATOM 0 HG3 ARG A 48 -5.601 -0.584 10.374 1.00 1.30 H new ATOM 0 HD2 ARG A 48 -8.568 0.153 10.552 1.00 1.32 H new ATOM 0 HD3 ARG A 48 -7.834 -1.312 11.173 1.00 1.32 H new ATOM 0 HE ARG A 48 -6.340 0.644 12.479 1.00 1.71 H new ATOM 0 HH11 ARG A 48 -9.747 0.097 11.897 1.00 2.17 H new ATOM 0 HH12 ARG A 48 -10.254 0.872 13.402 1.00 2.17 H new ATOM 0 HH21 ARG A 48 -6.993 1.631 14.403 1.00 3.00 H new ATOM 0 HH22 ARG A 48 -8.710 1.733 14.807 1.00 3.00 H new ATOM 748 N VAL A 49 -5.524 3.541 7.325 1.00 0.35 N ATOM 749 CA VAL A 49 -5.386 4.991 6.987 1.00 0.41 C ATOM 750 C VAL A 49 -6.754 5.574 6.598 1.00 0.38 C ATOM 751 O VAL A 49 -7.568 4.924 5.975 1.00 0.37 O ATOM 752 CB VAL A 49 -4.406 5.166 5.826 1.00 0.50 C ATOM 753 CG1 VAL A 49 -4.985 4.523 4.568 1.00 1.63 C ATOM 754 CG2 VAL A 49 -4.176 6.658 5.579 1.00 1.04 C ATOM 0 H VAL A 49 -6.078 2.995 6.665 1.00 0.35 H new ATOM 0 HA VAL A 49 -5.006 5.520 7.861 1.00 0.41 H new ATOM 0 HB VAL A 49 -3.459 4.687 6.073 1.00 0.50 H new ATOM 0 HG11 VAL A 49 -4.286 4.648 3.741 1.00 1.63 H new ATOM 0 HG12 VAL A 49 -5.151 3.460 4.746 1.00 1.63 H new ATOM 0 HG13 VAL A 49 -5.932 5.001 4.318 1.00 1.63 H new ATOM 0 HG21 VAL A 49 -3.478 6.786 4.752 1.00 1.04 H new ATOM 0 HG22 VAL A 49 -5.124 7.136 5.331 1.00 1.04 H new ATOM 0 HG23 VAL A 49 -3.762 7.116 6.477 1.00 1.04 H new ATOM 764 N ASN A 50 -6.999 6.796 6.969 1.00 0.39 N ATOM 765 CA ASN A 50 -8.296 7.468 6.645 1.00 0.42 C ATOM 766 C ASN A 50 -8.299 8.010 5.202 1.00 0.42 C ATOM 767 O ASN A 50 -7.271 8.325 4.637 1.00 0.39 O ATOM 768 CB ASN A 50 -8.504 8.620 7.621 1.00 0.48 C ATOM 769 CG ASN A 50 -9.949 9.113 7.538 1.00 1.38 C ATOM 770 OD1 ASN A 50 -10.718 8.642 6.724 1.00 2.28 O ATOM 771 ND2 ASN A 50 -10.353 10.046 8.355 1.00 1.90 N ATOM 0 H ASN A 50 -6.344 7.374 7.495 1.00 0.39 H new ATOM 0 HA ASN A 50 -9.102 6.739 6.733 1.00 0.42 H new ATOM 0 HB2 ASN A 50 -8.279 8.294 8.636 1.00 0.48 H new ATOM 0 HB3 ASN A 50 -7.818 9.434 7.388 1.00 0.48 H new ATOM 0 HD21 ASN A 50 -11.315 10.381 8.311 1.00 1.90 H new ATOM 0 HD22 ASN A 50 -9.706 10.441 9.038 1.00 1.90 H new ATOM 778 N ILE A 51 -9.468 8.138 4.624 1.00 0.51 N ATOM 779 CA ILE A 51 -9.615 8.680 3.232 1.00 0.56 C ATOM 780 C ILE A 51 -9.014 10.090 3.159 1.00 0.57 C ATOM 781 O ILE A 51 -8.655 10.571 2.103 1.00 0.59 O ATOM 782 CB ILE A 51 -11.096 8.729 2.840 1.00 0.73 C ATOM 783 CG1 ILE A 51 -11.669 7.306 2.847 1.00 0.81 C ATOM 784 CG2 ILE A 51 -11.231 9.330 1.437 1.00 0.81 C ATOM 785 CD1 ILE A 51 -13.182 7.351 2.613 1.00 1.41 C ATOM 0 H ILE A 51 -10.350 7.884 5.069 1.00 0.51 H new ATOM 0 HA ILE A 51 -9.086 8.025 2.539 1.00 0.56 H new ATOM 0 HB ILE A 51 -11.644 9.346 3.552 1.00 0.73 H new ATOM 0 HG12 ILE A 51 -11.190 6.708 2.072 1.00 0.81 H new ATOM 0 HG13 ILE A 51 -11.454 6.823 3.800 1.00 0.81 H new ATOM 0 HG21 ILE A 51 -12.284 9.366 1.156 1.00 0.81 H new ATOM 0 HG22 ILE A 51 -10.820 10.339 1.432 1.00 0.81 H new ATOM 0 HG23 ILE A 51 -10.686 8.713 0.723 1.00 0.81 H new ATOM 0 HD11 ILE A 51 -13.581 6.337 2.619 1.00 1.41 H new ATOM 0 HD12 ILE A 51 -13.655 7.932 3.404 1.00 1.41 H new ATOM 0 HD13 ILE A 51 -13.387 7.816 1.649 1.00 1.41 H new ATOM 797 N LEU A 52 -8.938 10.760 4.271 1.00 0.61 N ATOM 798 CA LEU A 52 -8.403 12.152 4.292 1.00 0.70 C ATOM 799 C LEU A 52 -7.034 12.166 3.622 1.00 0.64 C ATOM 800 O LEU A 52 -6.687 13.124 2.958 1.00 0.75 O ATOM 801 CB LEU A 52 -8.263 12.631 5.742 1.00 0.76 C ATOM 802 CG LEU A 52 -9.615 12.552 6.459 1.00 0.85 C ATOM 803 CD1 LEU A 52 -9.471 13.122 7.872 1.00 1.25 C ATOM 804 CD2 LEU A 52 -10.660 13.371 5.697 1.00 1.08 C ATOM 0 H LEU A 52 -9.227 10.400 5.180 1.00 0.61 H new ATOM 0 HA LEU A 52 -9.086 12.814 3.760 1.00 0.70 H new ATOM 0 HB2 LEU A 52 -7.529 12.018 6.266 1.00 0.76 H new ATOM 0 HB3 LEU A 52 -7.893 13.656 5.760 1.00 0.76 H new ATOM 0 HG LEU A 52 -9.934 11.511 6.505 1.00 0.85 H new ATOM 0 HD11 LEU A 52 -10.431 13.068 8.386 1.00 1.25 H new ATOM 0 HD12 LEU A 52 -8.731 12.543 8.424 1.00 1.25 H new ATOM 0 HD13 LEU A 52 -9.149 14.162 7.814 1.00 1.25 H new ATOM 0 HD21 LEU A 52 -11.618 13.309 6.213 1.00 1.08 H new ATOM 0 HD22 LEU A 52 -10.341 14.412 5.647 1.00 1.08 H new ATOM 0 HD23 LEU A 52 -10.766 12.976 4.687 1.00 1.08 H new ATOM 816 N HIS A 53 -6.299 11.084 3.691 1.00 0.52 N ATOM 817 CA HIS A 53 -5.012 11.026 2.939 1.00 0.55 C ATOM 818 C HIS A 53 -5.153 9.896 1.922 1.00 0.45 C ATOM 819 O HIS A 53 -4.880 8.747 2.212 1.00 0.50 O ATOM 820 CB HIS A 53 -3.862 10.718 3.900 1.00 0.70 C ATOM 821 CG HIS A 53 -3.786 11.795 4.946 1.00 0.84 C ATOM 822 ND1 HIS A 53 -3.375 13.086 4.648 1.00 1.50 N ATOM 823 CD2 HIS A 53 -4.063 11.790 6.292 1.00 1.35 C ATOM 824 CE1 HIS A 53 -3.417 13.800 5.788 1.00 1.35 C ATOM 825 NE2 HIS A 53 -3.830 13.057 6.816 1.00 1.20 N ATOM 0 H HIS A 53 -6.532 10.249 4.229 1.00 0.52 H new ATOM 0 HA HIS A 53 -4.798 11.976 2.449 1.00 0.55 H new ATOM 0 HB2 HIS A 53 -4.017 9.748 4.372 1.00 0.70 H new ATOM 0 HB3 HIS A 53 -2.921 10.660 3.353 1.00 0.70 H new ATOM 0 HD2 HIS A 53 -4.408 10.935 6.855 1.00 1.35 H new ATOM 0 HE1 HIS A 53 -3.150 14.844 5.861 1.00 1.35 H new ATOM 0 HE2 HIS A 53 -3.950 13.356 7.784 1.00 1.20 H new ATOM 834 N LEU A 54 -5.598 10.218 0.734 1.00 0.42 N ATOM 835 CA LEU A 54 -5.789 9.187 -0.321 1.00 0.43 C ATOM 836 C LEU A 54 -4.808 9.415 -1.482 1.00 0.36 C ATOM 837 O LEU A 54 -4.754 10.490 -2.047 1.00 0.39 O ATOM 838 CB LEU A 54 -7.227 9.299 -0.835 1.00 0.59 C ATOM 839 CG LEU A 54 -7.537 8.154 -1.806 1.00 0.92 C ATOM 840 CD1 LEU A 54 -7.675 6.832 -1.040 1.00 1.56 C ATOM 841 CD2 LEU A 54 -8.845 8.462 -2.531 1.00 1.29 C ATOM 0 H LEU A 54 -5.840 11.167 0.450 1.00 0.42 H new ATOM 0 HA LEU A 54 -5.602 8.196 0.093 1.00 0.43 H new ATOM 0 HB2 LEU A 54 -7.923 9.272 0.003 1.00 0.59 H new ATOM 0 HB3 LEU A 54 -7.368 10.257 -1.335 1.00 0.59 H new ATOM 0 HG LEU A 54 -6.723 8.059 -2.525 1.00 0.92 H new ATOM 0 HD11 LEU A 54 -7.895 6.027 -1.741 1.00 1.56 H new ATOM 0 HD12 LEU A 54 -6.743 6.615 -0.519 1.00 1.56 H new ATOM 0 HD13 LEU A 54 -8.485 6.914 -0.316 1.00 1.56 H new ATOM 0 HD21 LEU A 54 -9.076 7.654 -3.225 1.00 1.29 H new ATOM 0 HD22 LEU A 54 -9.651 8.556 -1.803 1.00 1.29 H new ATOM 0 HD23 LEU A 54 -8.744 9.396 -3.083 1.00 1.29 H new ATOM 853 N GLU A 55 -4.108 8.395 -1.902 1.00 0.39 N ATOM 854 CA GLU A 55 -3.217 8.522 -3.096 1.00 0.38 C ATOM 855 C GLU A 55 -3.404 7.248 -3.928 1.00 0.43 C ATOM 856 O GLU A 55 -2.734 6.264 -3.696 1.00 0.50 O ATOM 857 CB GLU A 55 -1.752 8.660 -2.687 1.00 0.44 C ATOM 858 CG GLU A 55 -1.012 9.453 -3.769 1.00 0.85 C ATOM 859 CD GLU A 55 -1.427 10.925 -3.704 1.00 1.55 C ATOM 860 OE1 GLU A 55 -1.967 11.324 -2.684 1.00 2.20 O ATOM 861 OE2 GLU A 55 -1.198 11.628 -4.674 1.00 2.28 O ATOM 0 H GLU A 55 -4.114 7.472 -1.467 1.00 0.39 H new ATOM 0 HA GLU A 55 -3.478 9.416 -3.663 1.00 0.38 H new ATOM 0 HB2 GLU A 55 -1.674 9.169 -1.726 1.00 0.44 H new ATOM 0 HB3 GLU A 55 -1.300 7.676 -2.564 1.00 0.44 H new ATOM 0 HG2 GLU A 55 0.065 9.362 -3.628 1.00 0.85 H new ATOM 0 HG3 GLU A 55 -1.240 9.044 -4.753 1.00 0.85 H new ATOM 868 N PRO A 56 -4.324 7.226 -4.855 1.00 0.46 N ATOM 869 CA PRO A 56 -4.592 6.008 -5.655 1.00 0.52 C ATOM 870 C PRO A 56 -3.767 5.915 -6.937 1.00 0.50 C ATOM 871 O PRO A 56 -3.469 6.909 -7.570 1.00 0.53 O ATOM 872 CB PRO A 56 -6.071 6.167 -5.998 1.00 0.66 C ATOM 873 CG PRO A 56 -6.302 7.645 -6.085 1.00 0.69 C ATOM 874 CD PRO A 56 -5.209 8.329 -5.260 1.00 0.56 C ATOM 0 HA PRO A 56 -4.333 5.102 -5.107 1.00 0.52 H new ATOM 0 HB2 PRO A 56 -6.311 5.676 -6.941 1.00 0.66 H new ATOM 0 HB3 PRO A 56 -6.703 5.715 -5.233 1.00 0.66 H new ATOM 0 HG2 PRO A 56 -6.265 7.979 -7.122 1.00 0.69 H new ATOM 0 HG3 PRO A 56 -7.290 7.902 -5.702 1.00 0.69 H new ATOM 0 HD2 PRO A 56 -4.674 9.075 -5.848 1.00 0.56 H new ATOM 0 HD3 PRO A 56 -5.626 8.844 -4.395 1.00 0.56 H new ATOM 882 N THR A 57 -3.440 4.714 -7.340 1.00 0.56 N ATOM 883 CA THR A 57 -2.675 4.517 -8.615 1.00 0.63 C ATOM 884 C THR A 57 -3.523 3.657 -9.564 1.00 0.66 C ATOM 885 O THR A 57 -4.455 3.005 -9.136 1.00 0.71 O ATOM 886 CB THR A 57 -1.359 3.796 -8.318 1.00 0.78 C ATOM 887 OG1 THR A 57 -1.626 2.433 -8.022 1.00 0.88 O ATOM 888 CG2 THR A 57 -0.667 4.456 -7.124 1.00 0.78 C ATOM 0 H THR A 57 -3.670 3.855 -6.840 1.00 0.56 H new ATOM 0 HA THR A 57 -2.459 5.482 -9.072 1.00 0.63 H new ATOM 0 HB THR A 57 -0.706 3.858 -9.189 1.00 0.78 H new ATOM 0 HG1 THR A 57 -1.945 2.355 -7.099 1.00 0.88 H new ATOM 0 HG21 THR A 57 0.270 3.940 -6.915 1.00 0.78 H new ATOM 0 HG22 THR A 57 -0.462 5.501 -7.355 1.00 0.78 H new ATOM 0 HG23 THR A 57 -1.316 4.398 -6.250 1.00 0.78 H new ATOM 896 N ASP A 58 -3.213 3.617 -10.842 1.00 0.71 N ATOM 897 CA ASP A 58 -4.032 2.756 -11.749 1.00 0.78 C ATOM 898 C ASP A 58 -3.605 1.326 -11.478 1.00 0.87 C ATOM 899 O ASP A 58 -2.457 0.986 -11.606 1.00 1.59 O ATOM 900 CB ASP A 58 -3.849 3.175 -13.223 1.00 0.88 C ATOM 901 CG ASP A 58 -2.392 3.031 -13.691 1.00 1.77 C ATOM 902 OD1 ASP A 58 -1.593 2.472 -12.969 1.00 2.57 O ATOM 903 OD2 ASP A 58 -2.093 3.533 -14.762 1.00 2.16 O ATOM 0 H ASP A 58 -2.449 4.129 -11.283 1.00 0.71 H new ATOM 0 HA ASP A 58 -5.100 2.863 -11.558 1.00 0.78 H new ATOM 0 HB2 ASP A 58 -4.494 2.565 -13.855 1.00 0.88 H new ATOM 0 HB3 ASP A 58 -4.168 4.210 -13.347 1.00 0.88 H new ATOM 908 N LYS A 59 -4.555 0.475 -11.170 1.00 0.69 N ATOM 909 CA LYS A 59 -4.260 -0.963 -10.904 1.00 0.63 C ATOM 910 C LYS A 59 -5.509 -1.851 -10.996 1.00 0.92 C ATOM 911 O LYS A 59 -6.578 -1.451 -11.413 1.00 1.56 O ATOM 912 CB LYS A 59 -3.487 -1.233 -9.595 1.00 0.62 C ATOM 913 CG LYS A 59 -2.084 -0.632 -9.707 1.00 1.23 C ATOM 914 CD LYS A 59 -1.227 -1.071 -8.564 1.00 1.26 C ATOM 915 CE LYS A 59 0.129 -0.355 -8.671 1.00 2.14 C ATOM 916 NZ LYS A 59 1.215 -1.370 -8.755 1.00 2.90 N ATOM 0 H LYS A 59 -5.541 0.725 -11.091 1.00 0.69 H new ATOM 0 HA LYS A 59 -3.583 -1.242 -11.712 1.00 0.63 H new ATOM 0 HB2 LYS A 59 -4.017 -0.795 -8.749 1.00 0.62 H new ATOM 0 HB3 LYS A 59 -3.423 -2.305 -9.411 1.00 0.62 H new ATOM 0 HG2 LYS A 59 -1.627 -0.937 -10.648 1.00 1.23 H new ATOM 0 HG3 LYS A 59 -2.149 0.456 -9.722 1.00 1.23 H new ATOM 0 HD2 LYS A 59 -1.708 -0.832 -7.616 1.00 1.26 H new ATOM 0 HD3 LYS A 59 -1.088 -2.152 -8.587 1.00 1.26 H new ATOM 0 HE2 LYS A 59 0.146 0.287 -9.552 1.00 2.14 H new ATOM 0 HE3 LYS A 59 0.283 0.289 -7.805 1.00 2.14 H new ATOM 0 HZ1 LYS A 59 2.120 -0.932 -8.490 1.00 2.90 H new ATOM 0 HZ2 LYS A 59 1.007 -2.155 -8.106 1.00 2.90 H new ATOM 0 HZ3 LYS A 59 1.277 -1.732 -9.728 1.00 2.90 H new ATOM 930 N LYS A 60 -5.305 -3.077 -10.630 1.00 0.91 N ATOM 931 CA LYS A 60 -6.317 -4.157 -10.657 1.00 1.21 C ATOM 932 C LYS A 60 -7.220 -4.097 -9.433 1.00 0.55 C ATOM 933 O LYS A 60 -6.806 -3.706 -8.367 1.00 1.43 O ATOM 934 CB LYS A 60 -5.547 -5.463 -10.565 1.00 2.34 C ATOM 935 CG LYS A 60 -6.500 -6.644 -10.717 1.00 2.82 C ATOM 936 CD LYS A 60 -5.720 -7.953 -10.581 1.00 3.96 C ATOM 937 CE LYS A 60 -6.642 -9.132 -10.899 1.00 4.45 C ATOM 938 NZ LYS A 60 -6.457 -10.197 -9.873 1.00 5.03 N ATOM 0 H LYS A 60 -4.399 -3.395 -10.285 1.00 0.91 H new ATOM 0 HA LYS A 60 -6.926 -4.064 -11.557 1.00 1.21 H new ATOM 0 HB2 LYS A 60 -4.783 -5.500 -11.342 1.00 2.34 H new ATOM 0 HB3 LYS A 60 -5.031 -5.523 -9.607 1.00 2.34 H new ATOM 0 HG2 LYS A 60 -7.281 -6.594 -9.959 1.00 2.82 H new ATOM 0 HG3 LYS A 60 -6.995 -6.603 -11.687 1.00 2.82 H new ATOM 0 HD2 LYS A 60 -4.866 -7.952 -11.259 1.00 3.96 H new ATOM 0 HD3 LYS A 60 -5.324 -8.050 -9.570 1.00 3.96 H new ATOM 0 HE2 LYS A 60 -7.681 -8.802 -10.913 1.00 4.45 H new ATOM 0 HE3 LYS A 60 -6.419 -9.525 -11.891 1.00 4.45 H new ATOM 0 HZ1 LYS A 60 -7.083 -10.999 -10.088 1.00 5.03 H new ATOM 0 HZ2 LYS A 60 -5.468 -10.518 -9.881 1.00 5.03 H new ATOM 0 HZ3 LYS A 60 -6.691 -9.818 -8.933 1.00 5.03 H new ATOM 952 N ILE A 61 -8.441 -4.550 -9.590 1.00 0.90 N ATOM 953 CA ILE A 61 -9.390 -4.594 -8.433 1.00 1.43 C ATOM 954 C ILE A 61 -9.863 -6.036 -8.174 1.00 0.99 C ATOM 955 O ILE A 61 -10.545 -6.634 -8.980 1.00 1.45 O ATOM 956 CB ILE A 61 -10.605 -3.724 -8.787 1.00 2.80 C ATOM 957 CG1 ILE A 61 -11.653 -3.802 -7.677 1.00 3.66 C ATOM 958 CG2 ILE A 61 -11.230 -4.207 -10.102 1.00 3.54 C ATOM 959 CD1 ILE A 61 -12.661 -2.665 -7.850 1.00 4.81 C ATOM 0 H ILE A 61 -8.822 -4.892 -10.472 1.00 0.90 H new ATOM 0 HA ILE A 61 -8.891 -4.228 -7.536 1.00 1.43 H new ATOM 0 HB ILE A 61 -10.271 -2.692 -8.897 1.00 2.80 H new ATOM 0 HG12 ILE A 61 -12.164 -4.764 -7.711 1.00 3.66 H new ATOM 0 HG13 ILE A 61 -11.172 -3.731 -6.702 1.00 3.66 H new ATOM 0 HG21 ILE A 61 -12.091 -3.585 -10.346 1.00 3.54 H new ATOM 0 HG22 ILE A 61 -10.493 -4.137 -10.902 1.00 3.54 H new ATOM 0 HG23 ILE A 61 -11.550 -5.243 -9.994 1.00 3.54 H new ATOM 0 HD11 ILE A 61 -13.409 -2.719 -7.059 1.00 4.81 H new ATOM 0 HD12 ILE A 61 -12.143 -1.708 -7.795 1.00 4.81 H new ATOM 0 HD13 ILE A 61 -13.150 -2.757 -8.820 1.00 4.81 H new ATOM 971 N ASP A 62 -9.588 -6.528 -6.984 1.00 1.05 N ATOM 972 CA ASP A 62 -10.102 -7.880 -6.567 1.00 0.82 C ATOM 973 C ASP A 62 -9.671 -8.250 -5.141 1.00 0.92 C ATOM 974 O ASP A 62 -8.652 -8.899 -5.011 1.00 1.22 O ATOM 975 CB ASP A 62 -9.560 -8.952 -7.502 1.00 1.33 C ATOM 976 CG ASP A 62 -10.186 -10.300 -7.146 1.00 1.56 C ATOM 977 OD1 ASP A 62 -11.067 -10.317 -6.302 1.00 2.14 O ATOM 978 OD2 ASP A 62 -9.772 -11.293 -7.720 1.00 2.06 O ATOM 0 H ASP A 62 -9.027 -6.049 -6.280 1.00 1.05 H new ATOM 0 HA ASP A 62 -11.190 -7.828 -6.609 1.00 0.82 H new ATOM 0 HB2 ASP A 62 -9.786 -8.696 -8.537 1.00 1.33 H new ATOM 0 HB3 ASP A 62 -8.475 -9.009 -7.418 1.00 1.33 H new ATOM 983 N ILE A 63 -10.356 -7.917 -4.062 1.00 0.75 N ATOM 984 CA ILE A 63 -9.849 -8.355 -2.710 1.00 0.87 C ATOM 985 C ILE A 63 -10.858 -9.319 -2.118 1.00 0.70 C ATOM 986 O ILE A 63 -12.046 -9.077 -2.203 1.00 0.66 O ATOM 987 CB ILE A 63 -9.809 -7.190 -1.736 1.00 1.06 C ATOM 988 CG1 ILE A 63 -9.056 -6.010 -2.307 1.00 0.94 C ATOM 989 CG2 ILE A 63 -9.114 -7.611 -0.437 1.00 1.72 C ATOM 990 CD1 ILE A 63 -7.749 -6.455 -2.968 1.00 1.64 C ATOM 0 H ILE A 63 -11.221 -7.376 -4.056 1.00 0.75 H new ATOM 0 HA ILE A 63 -8.856 -8.784 -2.848 1.00 0.87 H new ATOM 0 HB ILE A 63 -10.842 -6.899 -1.545 1.00 1.06 H new ATOM 0 HG12 ILE A 63 -9.680 -5.496 -3.038 1.00 0.94 H new ATOM 0 HG13 ILE A 63 -8.840 -5.294 -1.514 1.00 0.94 H new ATOM 0 HG21 ILE A 63 -9.091 -6.768 0.253 1.00 1.72 H new ATOM 0 HG22 ILE A 63 -9.661 -8.437 0.017 1.00 1.72 H new ATOM 0 HG23 ILE A 63 -8.094 -7.928 -0.656 1.00 1.72 H new ATOM 0 HD11 ILE A 63 -7.230 -5.585 -3.369 1.00 1.64 H new ATOM 0 HD12 ILE A 63 -7.116 -6.946 -2.229 1.00 1.64 H new ATOM 0 HD13 ILE A 63 -7.969 -7.151 -3.777 1.00 1.64 H new ATOM 1002 N GLN A 64 -10.457 -10.390 -1.495 1.00 0.71 N ATOM 1003 CA GLN A 64 -11.532 -11.229 -0.935 1.00 0.66 C ATOM 1004 C GLN A 64 -12.280 -10.351 0.077 1.00 0.61 C ATOM 1005 O GLN A 64 -13.489 -10.403 0.126 1.00 1.32 O ATOM 1006 CB GLN A 64 -10.940 -12.457 -0.237 1.00 0.77 C ATOM 1007 CG GLN A 64 -10.237 -13.341 -1.270 1.00 1.23 C ATOM 1008 CD GLN A 64 -9.607 -14.545 -0.570 1.00 1.77 C ATOM 1009 OE1 GLN A 64 -9.437 -14.544 0.634 1.00 2.17 O ATOM 1010 NE2 GLN A 64 -9.251 -15.582 -1.277 1.00 2.59 N ATOM 0 H GLN A 64 -9.496 -10.702 -1.357 1.00 0.71 H new ATOM 0 HA GLN A 64 -12.200 -11.590 -1.717 1.00 0.66 H new ATOM 0 HB2 GLN A 64 -10.233 -12.146 0.532 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -11.728 -13.020 0.263 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -10.951 -13.677 -2.022 1.00 1.23 H new ATOM 0 HG3 GLN A 64 -9.470 -12.769 -1.792 1.00 1.23 H new ATOM 0 HE21 GLN A 64 -9.393 -15.584 -2.287 1.00 2.59 H new ATOM 0 HE22 GLN A 64 -8.830 -16.391 -0.820 1.00 2.59 H new ATOM 1019 N LYS A 65 -11.564 -9.550 0.883 1.00 0.80 N ATOM 1020 CA LYS A 65 -12.174 -8.641 1.916 1.00 0.78 C ATOM 1021 C LYS A 65 -11.749 -9.141 3.303 1.00 0.69 C ATOM 1022 O LYS A 65 -12.231 -10.162 3.752 1.00 0.82 O ATOM 1023 CB LYS A 65 -13.701 -8.568 1.845 1.00 1.04 C ATOM 1024 CG LYS A 65 -14.168 -7.482 2.806 1.00 1.72 C ATOM 1025 CD LYS A 65 -15.688 -7.407 2.813 1.00 1.99 C ATOM 1026 CE LYS A 65 -16.088 -6.202 3.649 1.00 2.85 C ATOM 1027 NZ LYS A 65 -17.447 -6.412 4.224 1.00 3.48 N ATOM 0 H LYS A 65 -10.546 -9.501 0.851 1.00 0.80 H new ATOM 0 HA LYS A 65 -11.813 -7.631 1.720 1.00 0.78 H new ATOM 0 HB2 LYS A 65 -14.024 -8.342 0.829 1.00 1.04 H new ATOM 0 HB3 LYS A 65 -14.141 -9.529 2.113 1.00 1.04 H new ATOM 0 HG2 LYS A 65 -13.802 -7.693 3.811 1.00 1.72 H new ATOM 0 HG3 LYS A 65 -13.750 -6.520 2.510 1.00 1.72 H new ATOM 0 HD2 LYS A 65 -16.071 -7.311 1.797 1.00 1.99 H new ATOM 0 HD3 LYS A 65 -16.114 -8.320 3.230 1.00 1.99 H new ATOM 0 HE2 LYS A 65 -15.365 -6.048 4.450 1.00 2.85 H new ATOM 0 HE3 LYS A 65 -16.079 -5.302 3.034 1.00 2.85 H new ATOM 0 HZ1 LYS A 65 -17.714 -5.584 4.794 1.00 3.48 H new ATOM 0 HZ2 LYS A 65 -18.134 -6.538 3.454 1.00 3.48 H new ATOM 0 HZ3 LYS A 65 -17.442 -7.260 4.826 1.00 3.48 H new ATOM 1041 N GLY A 66 -10.874 -8.453 4.022 1.00 0.59 N ATOM 1042 CA GLY A 66 -10.504 -8.961 5.377 1.00 0.60 C ATOM 1043 C GLY A 66 -9.399 -10.025 5.298 1.00 0.55 C ATOM 1044 O GLY A 66 -9.259 -10.829 6.199 1.00 0.64 O ATOM 0 H GLY A 66 -10.418 -7.588 3.731 1.00 0.59 H new ATOM 0 HA2 GLY A 66 -10.167 -8.131 5.998 1.00 0.60 H new ATOM 0 HA3 GLY A 66 -11.384 -9.385 5.861 1.00 0.60 H new ATOM 1048 N ALA A 67 -8.636 -10.088 4.233 1.00 0.50 N ATOM 1049 CA ALA A 67 -7.592 -11.173 4.158 1.00 0.56 C ATOM 1050 C ALA A 67 -6.659 -11.178 5.401 1.00 0.56 C ATOM 1051 O ALA A 67 -6.313 -10.147 5.942 1.00 0.54 O ATOM 1052 CB ALA A 67 -6.752 -10.967 2.897 1.00 0.62 C ATOM 0 H ALA A 67 -8.683 -9.458 3.432 1.00 0.50 H new ATOM 0 HA ALA A 67 -8.108 -12.133 4.130 1.00 0.56 H new ATOM 0 HB1 ALA A 67 -5.994 -11.747 2.834 1.00 0.62 H new ATOM 0 HB2 ALA A 67 -7.396 -11.015 2.019 1.00 0.62 H new ATOM 0 HB3 ALA A 67 -6.267 -9.992 2.938 1.00 0.62 H new ATOM 1058 N SER A 68 -6.238 -12.363 5.828 1.00 0.63 N ATOM 1059 CA SER A 68 -5.303 -12.510 7.009 1.00 0.65 C ATOM 1060 C SER A 68 -3.928 -11.981 6.597 1.00 0.60 C ATOM 1061 O SER A 68 -3.698 -11.771 5.424 1.00 0.56 O ATOM 1062 CB SER A 68 -5.188 -13.977 7.416 1.00 0.73 C ATOM 1063 OG SER A 68 -4.378 -14.659 6.473 1.00 0.73 O ATOM 0 H SER A 68 -6.509 -13.247 5.398 1.00 0.63 H new ATOM 0 HA SER A 68 -5.690 -11.948 7.859 1.00 0.65 H new ATOM 0 HB2 SER A 68 -4.754 -14.058 8.412 1.00 0.73 H new ATOM 0 HB3 SER A 68 -6.177 -14.433 7.461 1.00 0.73 H new ATOM 0 HG SER A 68 -4.299 -15.601 6.730 1.00 0.73 H new ATOM 1069 N ASP A 69 -2.989 -11.751 7.497 1.00 0.64 N ATOM 1070 CA ASP A 69 -1.685 -11.234 7.005 1.00 0.60 C ATOM 1071 C ASP A 69 -1.029 -12.185 6.018 1.00 0.57 C ATOM 1072 O ASP A 69 -0.564 -11.761 4.987 1.00 0.51 O ATOM 1073 CB ASP A 69 -0.730 -11.097 8.189 1.00 0.66 C ATOM 1074 CG ASP A 69 -1.201 -9.977 9.114 1.00 1.15 C ATOM 1075 OD1 ASP A 69 -2.077 -9.232 8.710 1.00 2.02 O ATOM 1076 OD2 ASP A 69 -0.675 -9.881 10.211 1.00 1.69 O ATOM 0 H ASP A 69 -3.071 -11.894 8.504 1.00 0.64 H new ATOM 0 HA ASP A 69 -1.879 -10.281 6.513 1.00 0.60 H new ATOM 0 HB2 ASP A 69 -0.682 -12.037 8.738 1.00 0.66 H new ATOM 0 HB3 ASP A 69 0.278 -10.885 7.831 1.00 0.66 H new ATOM 1081 N GLU A 70 -0.951 -13.461 6.297 1.00 0.64 N ATOM 1082 CA GLU A 70 -0.257 -14.324 5.312 1.00 0.64 C ATOM 1083 C GLU A 70 -1.029 -14.263 4.009 1.00 0.59 C ATOM 1084 O GLU A 70 -0.471 -14.161 2.934 1.00 0.57 O ATOM 1085 CB GLU A 70 -0.203 -15.757 5.834 1.00 0.75 C ATOM 1086 CG GLU A 70 0.666 -16.582 4.898 1.00 1.34 C ATOM 1087 CD GLU A 70 0.664 -18.046 5.344 1.00 1.66 C ATOM 1088 OE1 GLU A 70 -0.012 -18.348 6.313 1.00 1.89 O ATOM 1089 OE2 GLU A 70 1.338 -18.839 4.707 1.00 2.30 O ATOM 0 H GLU A 70 -1.322 -13.922 7.128 1.00 0.64 H new ATOM 0 HA GLU A 70 0.765 -13.981 5.153 1.00 0.64 H new ATOM 0 HB2 GLU A 70 0.205 -15.776 6.844 1.00 0.75 H new ATOM 0 HB3 GLU A 70 -1.207 -16.178 5.888 1.00 0.75 H new ATOM 0 HG2 GLU A 70 0.293 -16.503 3.877 1.00 1.34 H new ATOM 0 HG3 GLU A 70 1.685 -16.194 4.896 1.00 1.34 H new ATOM 1096 N GLU A 71 -2.321 -14.288 4.114 1.00 0.59 N ATOM 1097 CA GLU A 71 -3.142 -14.191 2.892 1.00 0.57 C ATOM 1098 C GLU A 71 -2.910 -12.820 2.273 1.00 0.51 C ATOM 1099 O GLU A 71 -2.845 -12.677 1.077 1.00 0.51 O ATOM 1100 CB GLU A 71 -4.622 -14.383 3.231 1.00 0.64 C ATOM 1101 CG GLU A 71 -4.849 -15.818 3.719 1.00 0.90 C ATOM 1102 CD GLU A 71 -6.334 -16.030 4.013 1.00 1.19 C ATOM 1103 OE1 GLU A 71 -7.065 -15.052 4.001 1.00 1.96 O ATOM 1104 OE2 GLU A 71 -6.716 -17.164 4.247 1.00 1.50 O ATOM 0 H GLU A 71 -2.839 -14.371 4.989 1.00 0.59 H new ATOM 0 HA GLU A 71 -2.858 -14.971 2.185 1.00 0.57 H new ATOM 0 HB2 GLU A 71 -4.926 -13.673 4.000 1.00 0.64 H new ATOM 0 HB3 GLU A 71 -5.237 -14.184 2.353 1.00 0.64 H new ATOM 0 HG2 GLU A 71 -4.513 -16.528 2.963 1.00 0.90 H new ATOM 0 HG3 GLU A 71 -4.260 -16.005 4.617 1.00 0.90 H new ATOM 1111 N VAL A 72 -2.732 -11.812 3.087 1.00 0.49 N ATOM 1112 CA VAL A 72 -2.456 -10.460 2.531 1.00 0.46 C ATOM 1113 C VAL A 72 -1.108 -10.454 1.809 1.00 0.41 C ATOM 1114 O VAL A 72 -0.961 -9.882 0.748 1.00 0.43 O ATOM 1115 CB VAL A 72 -2.397 -9.438 3.664 1.00 0.48 C ATOM 1116 CG1 VAL A 72 -1.979 -8.078 3.112 1.00 0.46 C ATOM 1117 CG2 VAL A 72 -3.769 -9.317 4.330 1.00 0.59 C ATOM 0 H VAL A 72 -2.766 -11.868 4.105 1.00 0.49 H new ATOM 0 HA VAL A 72 -3.253 -10.204 1.833 1.00 0.46 H new ATOM 0 HB VAL A 72 -1.667 -9.770 4.402 1.00 0.48 H new ATOM 0 HG11 VAL A 72 -1.938 -7.352 3.924 1.00 0.46 H new ATOM 0 HG12 VAL A 72 -0.996 -8.160 2.649 1.00 0.46 H new ATOM 0 HG13 VAL A 72 -2.704 -7.749 2.368 1.00 0.46 H new ATOM 0 HG21 VAL A 72 -3.718 -8.586 5.137 1.00 0.59 H new ATOM 0 HG22 VAL A 72 -4.504 -8.993 3.593 1.00 0.59 H new ATOM 0 HG23 VAL A 72 -4.063 -10.285 4.735 1.00 0.59 H new ATOM 1127 N LYS A 73 -0.109 -11.073 2.391 1.00 0.40 N ATOM 1128 CA LYS A 73 1.222 -11.067 1.731 1.00 0.43 C ATOM 1129 C LYS A 73 1.131 -11.738 0.357 1.00 0.47 C ATOM 1130 O LYS A 73 1.692 -11.267 -0.610 1.00 0.51 O ATOM 1131 CB LYS A 73 2.225 -11.798 2.628 1.00 0.48 C ATOM 1132 CG LYS A 73 2.404 -11.018 3.930 1.00 0.50 C ATOM 1133 CD LYS A 73 3.489 -11.690 4.766 1.00 0.59 C ATOM 1134 CE LYS A 73 3.577 -10.988 6.112 1.00 0.76 C ATOM 1135 NZ LYS A 73 4.606 -11.654 6.960 1.00 0.79 N ATOM 0 H LYS A 73 -0.161 -11.572 3.279 1.00 0.40 H new ATOM 0 HA LYS A 73 1.557 -10.041 1.582 1.00 0.43 H new ATOM 0 HB2 LYS A 73 1.871 -12.807 2.841 1.00 0.48 H new ATOM 0 HB3 LYS A 73 3.182 -11.897 2.116 1.00 0.48 H new ATOM 0 HG2 LYS A 73 2.679 -9.985 3.716 1.00 0.50 H new ATOM 0 HG3 LYS A 73 1.466 -10.989 4.484 1.00 0.50 H new ATOM 0 HD2 LYS A 73 3.258 -12.746 4.906 1.00 0.59 H new ATOM 0 HD3 LYS A 73 4.448 -11.639 4.251 1.00 0.59 H new ATOM 0 HE2 LYS A 73 3.833 -9.938 5.969 1.00 0.76 H new ATOM 0 HE3 LYS A 73 2.608 -11.015 6.611 1.00 0.76 H new ATOM 0 HZ1 LYS A 73 4.663 -11.171 7.879 1.00 0.79 H new ATOM 0 HZ2 LYS A 73 4.343 -12.649 7.107 1.00 0.79 H new ATOM 0 HZ3 LYS A 73 5.530 -11.607 6.486 1.00 0.79 H new ATOM 1149 N LYS A 74 0.435 -12.839 0.264 1.00 0.49 N ATOM 1150 CA LYS A 74 0.331 -13.525 -1.058 1.00 0.57 C ATOM 1151 C LYS A 74 -0.300 -12.570 -2.067 1.00 0.58 C ATOM 1152 O LYS A 74 0.085 -12.504 -3.217 1.00 0.63 O ATOM 1153 CB LYS A 74 -0.533 -14.776 -0.918 1.00 0.63 C ATOM 1154 CG LYS A 74 0.166 -15.761 0.017 1.00 1.16 C ATOM 1155 CD LYS A 74 -0.631 -17.061 0.064 1.00 1.19 C ATOM 1156 CE LYS A 74 -0.008 -18.009 1.091 1.00 2.01 C ATOM 1157 NZ LYS A 74 -0.877 -18.070 2.300 1.00 2.33 N ATOM 0 H LYS A 74 -0.060 -13.289 1.034 1.00 0.49 H new ATOM 0 HA LYS A 74 1.324 -13.815 -1.403 1.00 0.57 H new ATOM 0 HB2 LYS A 74 -1.514 -14.513 -0.523 1.00 0.63 H new ATOM 0 HB3 LYS A 74 -0.694 -15.233 -1.894 1.00 0.63 H new ATOM 0 HG2 LYS A 74 1.180 -15.955 -0.332 1.00 1.16 H new ATOM 0 HG3 LYS A 74 0.249 -15.335 1.017 1.00 1.16 H new ATOM 0 HD2 LYS A 74 -1.668 -16.854 0.328 1.00 1.19 H new ATOM 0 HD3 LYS A 74 -0.640 -17.530 -0.920 1.00 1.19 H new ATOM 0 HE2 LYS A 74 0.106 -19.004 0.661 1.00 2.01 H new ATOM 0 HE3 LYS A 74 0.989 -17.663 1.363 1.00 2.01 H new ATOM 0 HZ1 LYS A 74 -0.360 -18.529 3.077 1.00 2.33 H new ATOM 0 HZ2 LYS A 74 -1.144 -17.106 2.584 1.00 2.33 H new ATOM 0 HZ3 LYS A 74 -1.734 -18.618 2.084 1.00 2.33 H new ATOM 1171 N LYS A 75 -1.256 -11.811 -1.618 1.00 0.55 N ATOM 1172 CA LYS A 75 -1.924 -10.819 -2.500 1.00 0.59 C ATOM 1173 C LYS A 75 -0.905 -9.807 -3.021 1.00 0.55 C ATOM 1174 O LYS A 75 -1.020 -9.315 -4.121 1.00 0.59 O ATOM 1175 CB LYS A 75 -3.064 -10.150 -1.739 1.00 0.62 C ATOM 1176 CG LYS A 75 -4.111 -11.231 -1.453 1.00 1.06 C ATOM 1177 CD LYS A 75 -5.274 -10.664 -0.635 1.00 1.32 C ATOM 1178 CE LYS A 75 -6.158 -9.770 -1.504 1.00 1.88 C ATOM 1179 NZ LYS A 75 -7.540 -10.325 -1.521 1.00 2.62 N ATOM 0 H LYS A 75 -1.609 -11.837 -0.661 1.00 0.55 H new ATOM 0 HA LYS A 75 -2.351 -11.320 -3.369 1.00 0.59 H new ATOM 0 HB2 LYS A 75 -2.701 -9.710 -0.810 1.00 0.62 H new ATOM 0 HB3 LYS A 75 -3.497 -9.341 -2.327 1.00 0.62 H new ATOM 0 HG2 LYS A 75 -4.486 -11.637 -2.392 1.00 1.06 H new ATOM 0 HG3 LYS A 75 -3.649 -12.056 -0.911 1.00 1.06 H new ATOM 0 HD2 LYS A 75 -5.867 -11.480 -0.222 1.00 1.32 H new ATOM 0 HD3 LYS A 75 -4.887 -10.092 0.209 1.00 1.32 H new ATOM 0 HE2 LYS A 75 -6.165 -8.753 -1.112 1.00 1.88 H new ATOM 0 HE3 LYS A 75 -5.760 -9.718 -2.518 1.00 1.88 H new ATOM 0 HZ1 LYS A 75 -7.942 -10.225 -2.475 1.00 2.62 H new ATOM 0 HZ2 LYS A 75 -7.513 -11.331 -1.260 1.00 2.62 H new ATOM 0 HZ3 LYS A 75 -8.131 -9.806 -0.840 1.00 2.62 H new ATOM 1193 N LEU A 76 0.101 -9.488 -2.250 1.00 0.51 N ATOM 1194 CA LEU A 76 1.113 -8.509 -2.739 1.00 0.52 C ATOM 1195 C LEU A 76 1.706 -9.031 -4.039 1.00 0.54 C ATOM 1196 O LEU A 76 1.979 -8.288 -4.957 1.00 0.59 O ATOM 1197 CB LEU A 76 2.217 -8.394 -1.686 1.00 0.58 C ATOM 1198 CG LEU A 76 1.626 -7.911 -0.367 1.00 0.76 C ATOM 1199 CD1 LEU A 76 2.743 -7.824 0.670 1.00 1.30 C ATOM 1200 CD2 LEU A 76 1.027 -6.512 -0.558 1.00 1.28 C ATOM 0 H LEU A 76 0.264 -9.858 -1.314 1.00 0.51 H new ATOM 0 HA LEU A 76 0.657 -7.534 -2.910 1.00 0.52 H new ATOM 0 HB2 LEU A 76 2.700 -9.361 -1.546 1.00 0.58 H new ATOM 0 HB3 LEU A 76 2.986 -7.700 -2.026 1.00 0.58 H new ATOM 0 HG LEU A 76 0.852 -8.604 -0.037 1.00 0.76 H new ATOM 0 HD11 LEU A 76 2.332 -7.479 1.619 1.00 1.30 H new ATOM 0 HD12 LEU A 76 3.192 -8.808 0.805 1.00 1.30 H new ATOM 0 HD13 LEU A 76 3.504 -7.122 0.327 1.00 1.30 H new ATOM 0 HD21 LEU A 76 0.604 -6.166 0.385 1.00 1.28 H new ATOM 0 HD22 LEU A 76 1.808 -5.823 -0.880 1.00 1.28 H new ATOM 0 HD23 LEU A 76 0.243 -6.552 -1.314 1.00 1.28 H new ATOM 1212 N GLU A 77 1.907 -10.303 -4.137 1.00 0.54 N ATOM 1213 CA GLU A 77 2.492 -10.827 -5.393 1.00 0.62 C ATOM 1214 C GLU A 77 1.571 -10.439 -6.545 1.00 0.66 C ATOM 1215 O GLU A 77 2.023 -10.155 -7.637 1.00 0.72 O ATOM 1216 CB GLU A 77 2.605 -12.341 -5.320 1.00 0.67 C ATOM 1217 CG GLU A 77 3.594 -12.732 -4.220 1.00 0.65 C ATOM 1218 CD GLU A 77 3.756 -14.253 -4.197 1.00 1.04 C ATOM 1219 OE1 GLU A 77 2.996 -14.920 -4.880 1.00 1.47 O ATOM 1220 OE2 GLU A 77 4.637 -14.724 -3.498 1.00 1.70 O ATOM 0 H GLU A 77 1.697 -10.996 -3.418 1.00 0.54 H new ATOM 0 HA GLU A 77 3.487 -10.409 -5.544 1.00 0.62 H new ATOM 0 HB2 GLU A 77 1.628 -12.779 -5.116 1.00 0.67 H new ATOM 0 HB3 GLU A 77 2.938 -12.737 -6.279 1.00 0.67 H new ATOM 0 HG2 GLU A 77 4.558 -12.256 -4.397 1.00 0.65 H new ATOM 0 HG3 GLU A 77 3.237 -12.379 -3.253 1.00 0.65 H new ATOM 1227 N GLU A 78 0.288 -10.379 -6.312 1.00 0.65 N ATOM 1228 CA GLU A 78 -0.596 -9.952 -7.426 1.00 0.71 C ATOM 1229 C GLU A 78 -0.123 -8.550 -7.795 1.00 0.67 C ATOM 1230 O GLU A 78 -0.087 -8.165 -8.947 1.00 0.72 O ATOM 1231 CB GLU A 78 -2.060 -9.901 -6.970 1.00 0.74 C ATOM 1232 CG GLU A 78 -2.527 -11.304 -6.589 1.00 1.38 C ATOM 1233 CD GLU A 78 -4.004 -11.263 -6.196 1.00 1.60 C ATOM 1234 OE1 GLU A 78 -4.533 -10.171 -6.072 1.00 1.85 O ATOM 1235 OE2 GLU A 78 -4.581 -12.324 -6.026 1.00 2.29 O ATOM 0 H GLU A 78 -0.172 -10.599 -5.429 1.00 0.65 H new ATOM 0 HA GLU A 78 -0.545 -10.645 -8.266 1.00 0.71 H new ATOM 0 HB2 GLU A 78 -2.163 -9.229 -6.118 1.00 0.74 H new ATOM 0 HB3 GLU A 78 -2.686 -9.502 -7.768 1.00 0.74 H new ATOM 0 HG2 GLU A 78 -2.382 -11.987 -7.426 1.00 1.38 H new ATOM 0 HG3 GLU A 78 -1.930 -11.685 -5.760 1.00 1.38 H new ATOM 1242 N SER A 79 0.284 -7.801 -6.801 1.00 0.62 N ATOM 1243 CA SER A 79 0.809 -6.441 -7.043 1.00 0.62 C ATOM 1244 C SER A 79 2.182 -6.533 -7.749 1.00 0.68 C ATOM 1245 O SER A 79 2.614 -5.596 -8.388 1.00 0.74 O ATOM 1246 CB SER A 79 0.779 -5.597 -5.756 1.00 0.59 C ATOM 1247 OG SER A 79 -0.567 -5.241 -5.478 1.00 1.41 O ATOM 0 H SER A 79 0.271 -8.087 -5.822 1.00 0.62 H new ATOM 0 HA SER A 79 0.161 -5.896 -7.729 1.00 0.62 H new ATOM 0 HB2 SER A 79 1.200 -6.161 -4.924 1.00 0.59 H new ATOM 0 HB3 SER A 79 1.390 -4.702 -5.876 1.00 0.59 H new ATOM 0 HG SER A 79 -0.652 -4.995 -4.533 1.00 1.41 H new ATOM 1253 N ASN A 80 2.858 -7.666 -7.626 1.00 0.72 N ATOM 1254 CA ASN A 80 4.211 -7.889 -8.280 1.00 0.85 C ATOM 1255 C ASN A 80 5.305 -6.993 -7.685 1.00 0.84 C ATOM 1256 O ASN A 80 6.087 -6.376 -8.381 1.00 0.95 O ATOM 1257 CB ASN A 80 4.118 -7.646 -9.792 1.00 0.98 C ATOM 1258 CG ASN A 80 3.125 -8.634 -10.404 1.00 1.05 C ATOM 1259 OD1 ASN A 80 2.807 -9.643 -9.807 1.00 1.40 O ATOM 1260 ND2 ASN A 80 2.616 -8.384 -11.579 1.00 1.53 N ATOM 0 H ASN A 80 2.522 -8.465 -7.088 1.00 0.72 H new ATOM 0 HA ASN A 80 4.488 -8.925 -8.085 1.00 0.85 H new ATOM 0 HB2 ASN A 80 3.798 -6.623 -9.988 1.00 0.98 H new ATOM 0 HB3 ASN A 80 5.099 -7.767 -10.252 1.00 0.98 H new ATOM 0 HD21 ASN A 80 1.951 -9.036 -11.996 1.00 1.53 H new ATOM 0 HD22 ASN A 80 2.883 -7.537 -12.081 1.00 1.53 H new ATOM 1267 N LEU A 81 5.343 -6.949 -6.393 1.00 0.80 N ATOM 1268 CA LEU A 81 6.360 -6.130 -5.658 1.00 0.88 C ATOM 1269 C LEU A 81 7.779 -6.650 -5.879 1.00 1.17 C ATOM 1270 O LEU A 81 8.738 -5.923 -5.708 1.00 1.25 O ATOM 1271 CB LEU A 81 6.104 -6.173 -4.177 1.00 1.13 C ATOM 1272 CG LEU A 81 4.789 -5.472 -3.862 1.00 1.49 C ATOM 1273 CD1 LEU A 81 3.627 -6.364 -4.239 1.00 1.87 C ATOM 1274 CD2 LEU A 81 4.736 -5.161 -2.372 1.00 2.46 C ATOM 0 H LEU A 81 4.698 -7.457 -5.789 1.00 0.80 H new ATOM 0 HA LEU A 81 6.271 -5.115 -6.046 1.00 0.88 H new ATOM 0 HB2 LEU A 81 6.067 -7.207 -3.835 1.00 1.13 H new ATOM 0 HB3 LEU A 81 6.922 -5.690 -3.643 1.00 1.13 H new ATOM 0 HG LEU A 81 4.723 -4.546 -4.434 1.00 1.49 H new ATOM 0 HD11 LEU A 81 2.690 -5.856 -4.011 1.00 1.87 H new ATOM 0 HD12 LEU A 81 3.670 -6.586 -5.305 1.00 1.87 H new ATOM 0 HD13 LEU A 81 3.683 -7.294 -3.673 1.00 1.87 H new ATOM 0 HD21 LEU A 81 3.797 -4.659 -2.138 1.00 2.46 H new ATOM 0 HD22 LEU A 81 4.802 -6.089 -1.804 1.00 2.46 H new ATOM 0 HD23 LEU A 81 5.571 -4.512 -2.106 1.00 2.46 H new ATOM 1286 N THR A 82 7.936 -7.914 -6.143 1.00 1.41 N ATOM 1287 CA THR A 82 9.299 -8.506 -6.246 1.00 1.79 C ATOM 1288 C THR A 82 10.246 -7.589 -7.025 1.00 1.79 C ATOM 1289 O THR A 82 11.425 -7.538 -6.739 1.00 1.97 O ATOM 1290 CB THR A 82 9.198 -9.850 -6.971 1.00 2.11 C ATOM 1291 OG1 THR A 82 8.244 -10.672 -6.312 1.00 2.13 O ATOM 1292 CG2 THR A 82 10.563 -10.540 -6.961 1.00 2.54 C ATOM 0 H THR A 82 7.171 -8.571 -6.294 1.00 1.41 H new ATOM 0 HA THR A 82 9.698 -8.636 -5.240 1.00 1.79 H new ATOM 0 HB THR A 82 8.884 -9.685 -8.002 1.00 2.11 H new ATOM 0 HG1 THR A 82 8.177 -11.532 -6.776 1.00 2.13 H new ATOM 0 HG21 THR A 82 10.491 -11.497 -7.477 1.00 2.54 H new ATOM 0 HG22 THR A 82 11.293 -9.909 -7.467 1.00 2.54 H new ATOM 0 HG23 THR A 82 10.879 -10.706 -5.931 1.00 2.54 H new ATOM 1300 N GLU A 83 9.784 -6.870 -7.997 1.00 1.69 N ATOM 1301 CA GLU A 83 10.741 -5.988 -8.719 1.00 1.83 C ATOM 1302 C GLU A 83 10.010 -4.847 -9.418 1.00 1.73 C ATOM 1303 O GLU A 83 10.598 -3.826 -9.714 1.00 1.85 O ATOM 1304 CB GLU A 83 11.513 -6.825 -9.742 1.00 2.32 C ATOM 1305 CG GLU A 83 12.611 -5.984 -10.400 1.00 2.54 C ATOM 1306 CD GLU A 83 13.304 -6.813 -11.482 1.00 2.96 C ATOM 1307 OE1 GLU A 83 12.899 -7.946 -11.681 1.00 3.13 O ATOM 1308 OE2 GLU A 83 14.227 -6.302 -12.094 1.00 3.53 O ATOM 0 H GLU A 83 8.817 -6.849 -8.320 1.00 1.69 H new ATOM 0 HA GLU A 83 11.433 -5.550 -8.000 1.00 1.83 H new ATOM 0 HB2 GLU A 83 11.955 -7.693 -9.252 1.00 2.32 H new ATOM 0 HB3 GLU A 83 10.830 -7.202 -10.503 1.00 2.32 H new ATOM 0 HG2 GLU A 83 12.182 -5.082 -10.836 1.00 2.54 H new ATOM 0 HG3 GLU A 83 13.336 -5.663 -9.652 1.00 2.54 H new ATOM 1315 N TYR A 84 8.744 -4.975 -9.679 1.00 1.58 N ATOM 1316 CA TYR A 84 8.058 -3.840 -10.351 1.00 1.68 C ATOM 1317 C TYR A 84 8.182 -2.633 -9.429 1.00 1.53 C ATOM 1318 O TYR A 84 8.375 -1.504 -9.839 1.00 1.85 O ATOM 1319 CB TYR A 84 6.582 -4.171 -10.541 1.00 1.54 C ATOM 1320 CG TYR A 84 5.922 -3.079 -11.351 1.00 1.85 C ATOM 1321 CD1 TYR A 84 5.972 -3.126 -12.750 1.00 2.10 C ATOM 1322 CD2 TYR A 84 5.264 -2.021 -10.713 1.00 2.50 C ATOM 1323 CE1 TYR A 84 5.366 -2.119 -13.508 1.00 2.45 C ATOM 1324 CE2 TYR A 84 4.658 -1.012 -11.472 1.00 2.86 C ATOM 1325 CZ TYR A 84 4.708 -1.062 -12.870 1.00 2.63 C ATOM 1326 OH TYR A 84 4.111 -0.068 -13.618 1.00 3.06 O ATOM 0 H TYR A 84 8.167 -5.789 -9.465 1.00 1.58 H new ATOM 0 HA TYR A 84 8.503 -3.643 -11.326 1.00 1.68 H new ATOM 0 HB2 TYR A 84 6.476 -5.130 -11.048 1.00 1.54 H new ATOM 0 HB3 TYR A 84 6.092 -4.267 -9.572 1.00 1.54 H new ATOM 0 HD1 TYR A 84 6.479 -3.941 -13.244 1.00 2.10 H new ATOM 0 HD2 TYR A 84 5.224 -1.983 -9.634 1.00 2.50 H new ATOM 0 HE1 TYR A 84 5.406 -2.157 -14.587 1.00 2.45 H new ATOM 0 HE2 TYR A 84 4.152 -0.195 -10.979 1.00 2.86 H new ATOM 0 HH TYR A 84 3.698 0.589 -13.019 1.00 3.06 H new ATOM 1336 N MET A 85 7.984 -2.912 -8.178 1.00 1.09 N ATOM 1337 CA MET A 85 7.984 -1.832 -7.161 1.00 1.02 C ATOM 1338 C MET A 85 9.329 -1.624 -6.470 1.00 0.89 C ATOM 1339 O MET A 85 10.340 -1.383 -7.098 1.00 1.10 O ATOM 1340 CB MET A 85 6.915 -2.074 -6.121 1.00 0.95 C ATOM 1341 CG MET A 85 5.558 -2.007 -6.804 1.00 1.24 C ATOM 1342 SD MET A 85 4.244 -2.138 -5.583 1.00 1.93 S ATOM 1343 CE MET A 85 2.903 -1.972 -6.774 1.00 2.45 C ATOM 0 H MET A 85 7.821 -3.850 -7.812 1.00 1.09 H new ATOM 0 HA MET A 85 7.773 -0.917 -7.715 1.00 1.02 H new ATOM 0 HB2 MET A 85 7.056 -3.048 -5.652 1.00 0.95 H new ATOM 0 HB3 MET A 85 6.979 -1.327 -5.330 1.00 0.95 H new ATOM 0 HG2 MET A 85 5.464 -1.069 -7.352 1.00 1.24 H new ATOM 0 HG3 MET A 85 5.469 -2.812 -7.533 1.00 1.24 H new ATOM 0 HE1 MET A 85 2.367 -1.041 -6.591 1.00 2.45 H new ATOM 0 HE2 MET A 85 3.313 -1.962 -7.784 1.00 2.45 H new ATOM 0 HE3 MET A 85 2.217 -2.812 -6.669 1.00 2.45 H new ATOM 1353 N LYS A 86 9.327 -1.679 -5.162 1.00 0.69 N ATOM 1354 CA LYS A 86 10.561 -1.451 -4.374 1.00 0.66 C ATOM 1355 C LYS A 86 11.155 -0.120 -4.821 1.00 0.77 C ATOM 1356 O LYS A 86 12.354 0.052 -4.900 1.00 0.83 O ATOM 1357 CB LYS A 86 11.540 -2.593 -4.574 1.00 0.81 C ATOM 1358 CG LYS A 86 10.865 -3.854 -4.070 1.00 0.90 C ATOM 1359 CD LYS A 86 11.847 -5.023 -4.115 1.00 1.28 C ATOM 1360 CE LYS A 86 11.131 -6.321 -3.736 1.00 1.33 C ATOM 1361 NZ LYS A 86 9.830 -6.024 -3.070 1.00 1.49 N ATOM 0 H LYS A 86 8.499 -1.878 -4.601 1.00 0.69 H new ATOM 0 HA LYS A 86 10.336 -1.414 -3.308 1.00 0.66 H new ATOM 0 HB2 LYS A 86 11.805 -2.693 -5.627 1.00 0.81 H new ATOM 0 HB3 LYS A 86 12.465 -2.407 -4.028 1.00 0.81 H new ATOM 0 HG2 LYS A 86 10.511 -3.704 -3.050 1.00 0.90 H new ATOM 0 HG3 LYS A 86 9.991 -4.078 -4.681 1.00 0.90 H new ATOM 0 HD2 LYS A 86 12.274 -5.112 -5.114 1.00 1.28 H new ATOM 0 HD3 LYS A 86 12.674 -4.841 -3.429 1.00 1.28 H new ATOM 0 HE2 LYS A 86 10.960 -6.923 -4.628 1.00 1.33 H new ATOM 0 HE3 LYS A 86 11.761 -6.910 -3.070 1.00 1.33 H new ATOM 0 HZ1 LYS A 86 9.487 -6.876 -2.583 1.00 1.49 H new ATOM 0 HZ2 LYS A 86 9.961 -5.259 -2.378 1.00 1.49 H new ATOM 0 HZ3 LYS A 86 9.134 -5.730 -3.784 1.00 1.49 H new ATOM 1375 N GLU A 87 10.303 0.784 -5.212 1.00 0.95 N ATOM 1376 CA GLU A 87 10.738 2.087 -5.779 1.00 1.19 C ATOM 1377 C GLU A 87 11.537 2.995 -4.852 1.00 1.21 C ATOM 1378 O GLU A 87 12.256 3.823 -5.365 1.00 1.60 O ATOM 1379 CB GLU A 87 9.506 2.866 -6.249 1.00 1.64 C ATOM 1380 CG GLU A 87 8.838 2.126 -7.405 1.00 1.85 C ATOM 1381 CD GLU A 87 7.648 2.941 -7.917 1.00 2.10 C ATOM 1382 OE1 GLU A 87 7.299 3.915 -7.269 1.00 2.69 O ATOM 1383 OE2 GLU A 87 7.105 2.578 -8.948 1.00 2.30 O ATOM 0 H GLU A 87 9.291 0.668 -5.160 1.00 0.95 H new ATOM 0 HA GLU A 87 11.417 1.817 -6.588 1.00 1.19 H new ATOM 0 HB2 GLU A 87 8.802 2.984 -5.425 1.00 1.64 H new ATOM 0 HB3 GLU A 87 9.796 3.868 -6.565 1.00 1.64 H new ATOM 0 HG2 GLU A 87 9.555 1.965 -8.210 1.00 1.85 H new ATOM 0 HG3 GLU A 87 8.503 1.142 -7.075 1.00 1.85 H new