USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 702 hydrogens (24 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 167 THR OG1 : rot 180:sc= -0.19 USER MOD Set 1.2: A 187 MET CE :methyl -177:sc= 0 (180deg=-0.0122) USER MOD Single : A 151 SER OG : rot 30:sc= 0.237 USER MOD Single : A 153 GLN : amide:sc= -1.01 K(o=-1,f=-0.12) USER MOD Single : A 154 LYS NZ :NH3+ -166:sc= -1.28 (180deg=-1.92!) USER MOD Single : A 163 ASN : amide:sc= -0.0154 K(o=-0.015,f=-0.98) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 GLN : amide:sc= -2.4! C(o=-2.4!,f=-4!) USER MOD Single : A 173 CYS SG : rot 180:sc= 0.158 USER MOD Single : A 176 THR OG1 : rot -165:sc= -0.65 USER MOD Single : A 180 SER OG : rot -110:sc= -0.84 USER MOD Single : A 182 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0561) USER MOD Single : A 183 LYS NZ :NH3+ 140:sc= -0.137 (180deg=-0.818) USER MOD Single : A 186 MET CE :methyl 156:sc= -0.235 (180deg=-1.13) USER MOD Single : A 194 CYS SG : rot 180:sc= -0.072 USER MOD Single : A 195 CYS SG : rot 93:sc= 0.953 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 201 GLN : amide:sc= 0.359 X(o=0.36,f=-0.14) USER MOD Single : A 205 LYS NZ :NH3+ -141:sc= 1.23 (180deg=0.403) USER MOD Single : A 206 LYS NZ :NH3+ -141:sc= 0.981 (180deg=-0.00242) USER MOD Single : A 212 THR OG1 : rot 94:sc= 0.0901 USER MOD Single : A 215 SER OG : rot 180:sc= -0.247 USER MOD Single : A 218 THR OG1 : rot 91:sc= 0.116 USER MOD Single : A 223 HIS : no HD1:sc= -0.624 X(o=-0.62,f=-0.65) USER MOD Single : A 229 ASN : amide:sc= -1.29! K(o=-1.3!,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 151 -25.290 -6.620 -1.042 1.00 6.61 N ATOM 2 CA SER A 151 -24.022 -7.066 -0.436 1.00 6.05 C ATOM 3 C SER A 151 -23.148 -5.863 -0.101 1.00 5.15 C ATOM 4 O SER A 151 -22.982 -4.966 -0.929 1.00 5.07 O ATOM 5 CB SER A 151 -23.291 -7.992 -1.410 1.00 6.53 C ATOM 6 OG SER A 151 -24.160 -9.005 -1.892 1.00 7.11 O ATOM 0 HA SER A 151 -24.235 -7.608 0.486 1.00 6.05 H new ATOM 0 HB2 SER A 151 -22.902 -7.412 -2.247 1.00 6.53 H new ATOM 0 HB3 SER A 151 -22.435 -8.448 -0.912 1.00 6.53 H new ATOM 0 HG SER A 151 -25.080 -8.667 -1.907 1.00 7.11 H new ATOM 12 N PRO A 152 -22.609 -5.807 1.131 1.00 4.86 N ATOM 13 CA PRO A 152 -21.664 -4.758 1.539 1.00 4.47 C ATOM 14 C PRO A 152 -20.446 -4.723 0.623 1.00 4.11 C ATOM 15 O PRO A 152 -19.620 -5.638 0.644 1.00 4.17 O ATOM 16 CB PRO A 152 -21.257 -5.170 2.956 1.00 4.91 C ATOM 17 CG PRO A 152 -22.376 -6.024 3.440 1.00 5.35 C ATOM 18 CD PRO A 152 -22.889 -6.749 2.228 1.00 5.39 C ATOM 0 HA PRO A 152 -22.102 -3.761 1.490 1.00 4.47 H new ATOM 0 HB2 PRO A 152 -20.314 -5.717 2.953 1.00 4.91 H new ATOM 0 HB3 PRO A 152 -21.118 -4.299 3.597 1.00 4.91 H new ATOM 0 HG2 PRO A 152 -22.032 -6.726 4.200 1.00 5.35 H new ATOM 0 HG3 PRO A 152 -23.160 -5.420 3.896 1.00 5.35 H new ATOM 0 HD2 PRO A 152 -22.379 -7.701 2.082 1.00 5.39 H new ATOM 0 HD3 PRO A 152 -23.954 -6.967 2.310 1.00 5.39 H new ATOM 26 N GLN A 153 -20.345 -3.675 -0.184 1.00 3.91 N ATOM 27 CA GLN A 153 -19.296 -3.588 -1.190 1.00 3.65 C ATOM 28 C GLN A 153 -17.922 -3.483 -0.541 1.00 3.35 C ATOM 29 O GLN A 153 -17.674 -2.589 0.271 1.00 3.36 O ATOM 30 CB GLN A 153 -19.547 -2.407 -2.119 1.00 3.78 C ATOM 31 CG GLN A 153 -20.821 -2.568 -2.920 1.00 4.13 C ATOM 32 CD GLN A 153 -20.771 -3.717 -3.911 1.00 4.41 C ATOM 33 OE1 GLN A 153 -21.787 -4.354 -4.186 1.00 4.68 O ATOM 34 NE2 GLN A 153 -19.603 -3.977 -4.474 1.00 4.84 N ATOM 0 H GLN A 153 -20.976 -2.874 -0.161 1.00 3.91 H new ATOM 0 HA GLN A 153 -19.316 -4.503 -1.782 1.00 3.65 H new ATOM 0 HB2 GLN A 153 -19.603 -1.491 -1.531 1.00 3.78 H new ATOM 0 HB3 GLN A 153 -18.703 -2.298 -2.800 1.00 3.78 H new ATOM 0 HG2 GLN A 153 -21.654 -2.725 -2.235 1.00 4.13 H new ATOM 0 HG3 GLN A 153 -21.022 -1.642 -3.459 1.00 4.13 H new ATOM 0 HE21 GLN A 153 -18.782 -3.428 -4.221 1.00 4.84 H new ATOM 0 HE22 GLN A 153 -19.524 -4.727 -5.161 1.00 4.84 H new ATOM 43 N LYS A 154 -17.041 -4.409 -0.893 1.00 3.20 N ATOM 44 CA LYS A 154 -15.701 -4.457 -0.323 1.00 2.97 C ATOM 45 C LYS A 154 -14.840 -3.317 -0.859 1.00 2.72 C ATOM 46 O LYS A 154 -14.602 -3.222 -2.065 1.00 2.70 O ATOM 47 CB LYS A 154 -15.035 -5.794 -0.650 1.00 3.06 C ATOM 48 CG LYS A 154 -13.654 -5.959 -0.029 1.00 2.92 C ATOM 49 CD LYS A 154 -13.728 -6.243 1.463 1.00 3.32 C ATOM 50 CE LYS A 154 -13.880 -7.733 1.755 1.00 3.83 C ATOM 51 NZ LYS A 154 -15.140 -8.307 1.211 1.00 4.47 N ATOM 0 H LYS A 154 -17.232 -5.142 -1.576 1.00 3.20 H new ATOM 0 HA LYS A 154 -15.792 -4.350 0.758 1.00 2.97 H new ATOM 0 HB2 LYS A 154 -15.678 -6.604 -0.305 1.00 3.06 H new ATOM 0 HB3 LYS A 154 -14.951 -5.893 -1.732 1.00 3.06 H new ATOM 0 HG2 LYS A 154 -13.128 -6.774 -0.527 1.00 2.92 H new ATOM 0 HG3 LYS A 154 -13.071 -5.053 -0.197 1.00 2.92 H new ATOM 0 HD2 LYS A 154 -12.827 -5.869 1.948 1.00 3.32 H new ATOM 0 HD3 LYS A 154 -14.570 -5.701 1.894 1.00 3.32 H new ATOM 0 HE2 LYS A 154 -13.031 -8.269 1.331 1.00 3.83 H new ATOM 0 HE3 LYS A 154 -13.851 -7.891 2.833 1.00 3.83 H new ATOM 0 HZ1 LYS A 154 -15.306 -9.243 1.633 1.00 4.47 H new ATOM 0 HZ2 LYS A 154 -15.936 -7.678 1.441 1.00 4.47 H new ATOM 0 HZ3 LYS A 154 -15.061 -8.402 0.178 1.00 4.47 H new ATOM 65 N PRO A 155 -14.368 -2.438 0.032 1.00 2.57 N ATOM 66 CA PRO A 155 -13.485 -1.332 -0.337 1.00 2.35 C ATOM 67 C PRO A 155 -12.054 -1.810 -0.573 1.00 2.15 C ATOM 68 O PRO A 155 -11.610 -2.766 0.058 1.00 2.14 O ATOM 69 CB PRO A 155 -13.557 -0.421 0.889 1.00 2.38 C ATOM 70 CG PRO A 155 -13.803 -1.344 2.027 1.00 2.54 C ATOM 71 CD PRO A 155 -14.659 -2.450 1.480 1.00 2.69 C ATOM 0 HA PRO A 155 -13.780 -0.843 -1.265 1.00 2.35 H new ATOM 0 HB2 PRO A 155 -12.630 0.136 1.024 1.00 2.38 H new ATOM 0 HB3 PRO A 155 -14.358 0.312 0.792 1.00 2.38 H new ATOM 0 HG2 PRO A 155 -12.866 -1.735 2.423 1.00 2.54 H new ATOM 0 HG3 PRO A 155 -14.305 -0.829 2.846 1.00 2.54 H new ATOM 0 HD2 PRO A 155 -14.408 -3.410 1.930 1.00 2.69 H new ATOM 0 HD3 PRO A 155 -15.716 -2.272 1.677 1.00 2.69 H new ATOM 79 N ILE A 156 -11.335 -1.158 -1.484 1.00 2.02 N ATOM 80 CA ILE A 156 -9.955 -1.541 -1.792 1.00 1.83 C ATOM 81 C ILE A 156 -9.077 -0.323 -2.068 1.00 1.65 C ATOM 82 O ILE A 156 -9.560 0.729 -2.497 1.00 1.71 O ATOM 83 CB ILE A 156 -9.875 -2.501 -3.005 1.00 1.96 C ATOM 84 CG1 ILE A 156 -10.631 -1.939 -4.214 1.00 2.15 C ATOM 85 CG2 ILE A 156 -10.396 -3.876 -2.632 1.00 2.13 C ATOM 86 CD1 ILE A 156 -9.732 -1.400 -5.299 1.00 2.11 C ATOM 0 H ILE A 156 -11.682 -0.364 -2.022 1.00 2.02 H new ATOM 0 HA ILE A 156 -9.585 -2.057 -0.906 1.00 1.83 H new ATOM 0 HB ILE A 156 -8.827 -2.595 -3.288 1.00 1.96 H new ATOM 0 HG12 ILE A 156 -11.261 -2.724 -4.634 1.00 2.15 H new ATOM 0 HG13 ILE A 156 -11.295 -1.143 -3.877 1.00 2.15 H new ATOM 0 HG21 ILE A 156 -10.332 -4.536 -3.497 1.00 2.13 H new ATOM 0 HG22 ILE A 156 -9.796 -4.284 -1.819 1.00 2.13 H new ATOM 0 HG23 ILE A 156 -11.435 -3.797 -2.312 1.00 2.13 H new ATOM 0 HD11 ILE A 156 -10.340 -1.020 -6.120 1.00 2.11 H new ATOM 0 HD12 ILE A 156 -9.120 -0.592 -4.897 1.00 2.11 H new ATOM 0 HD13 ILE A 156 -9.085 -2.197 -5.665 1.00 2.11 H new ATOM 98 N VAL A 157 -7.791 -0.479 -1.799 1.00 1.45 N ATOM 99 CA VAL A 157 -6.790 0.511 -2.134 1.00 1.29 C ATOM 100 C VAL A 157 -5.798 -0.120 -3.092 1.00 1.25 C ATOM 101 O VAL A 157 -5.206 -1.157 -2.793 1.00 1.18 O ATOM 102 CB VAL A 157 -6.025 1.026 -0.899 1.00 1.14 C ATOM 103 CG1 VAL A 157 -5.091 2.162 -1.291 1.00 1.44 C ATOM 104 CG2 VAL A 157 -6.982 1.470 0.193 1.00 1.67 C ATOM 0 H VAL A 157 -7.413 -1.306 -1.337 1.00 1.45 H new ATOM 0 HA VAL A 157 -7.301 1.364 -2.581 1.00 1.29 H new ATOM 0 HB VAL A 157 -5.427 0.205 -0.503 1.00 1.14 H new ATOM 0 HG11 VAL A 157 -4.558 2.515 -0.409 1.00 1.44 H new ATOM 0 HG12 VAL A 157 -4.374 1.805 -2.030 1.00 1.44 H new ATOM 0 HG13 VAL A 157 -5.672 2.981 -1.716 1.00 1.44 H new ATOM 0 HG21 VAL A 157 -6.414 1.828 1.051 1.00 1.67 H new ATOM 0 HG22 VAL A 157 -7.616 2.273 -0.183 1.00 1.67 H new ATOM 0 HG23 VAL A 157 -7.604 0.628 0.496 1.00 1.67 H new ATOM 114 N ARG A 158 -5.639 0.488 -4.243 1.00 1.38 N ATOM 115 CA ARG A 158 -4.776 -0.052 -5.276 1.00 1.47 C ATOM 116 C ARG A 158 -3.340 0.404 -5.069 1.00 1.29 C ATOM 117 O ARG A 158 -2.973 1.534 -5.378 1.00 1.32 O ATOM 118 CB ARG A 158 -5.315 0.354 -6.637 1.00 1.78 C ATOM 119 CG ARG A 158 -6.730 -0.159 -6.854 1.00 2.00 C ATOM 120 CD ARG A 158 -7.431 0.571 -7.991 1.00 2.31 C ATOM 121 NE ARG A 158 -7.715 1.970 -7.654 1.00 2.65 N ATOM 122 CZ ARG A 158 -7.889 2.941 -8.557 1.00 2.95 C ATOM 123 NH1 ARG A 158 -7.777 2.682 -9.854 1.00 3.05 N ATOM 124 NH2 ARG A 158 -8.176 4.174 -8.158 1.00 3.61 N ATOM 0 H ARG A 158 -6.098 1.364 -4.493 1.00 1.38 H new ATOM 0 HA ARG A 158 -4.769 -1.141 -5.221 1.00 1.47 H new ATOM 0 HB2 ARG A 158 -5.304 1.440 -6.724 1.00 1.78 H new ATOM 0 HB3 ARG A 158 -4.662 -0.035 -7.418 1.00 1.78 H new ATOM 0 HG2 ARG A 158 -6.700 -1.226 -7.072 1.00 2.00 H new ATOM 0 HG3 ARG A 158 -7.305 -0.038 -5.936 1.00 2.00 H new ATOM 0 HD2 ARG A 158 -6.808 0.533 -8.885 1.00 2.31 H new ATOM 0 HD3 ARG A 158 -8.363 0.059 -8.230 1.00 2.31 H new ATOM 0 HE ARG A 158 -7.784 2.218 -6.667 1.00 2.65 H new ATOM 0 HH11 ARG A 158 -7.557 1.737 -10.168 1.00 3.05 H new ATOM 0 HH12 ARG A 158 -7.911 3.428 -10.536 1.00 3.05 H new ATOM 0 HH21 ARG A 158 -8.264 4.381 -7.163 1.00 3.61 H new ATOM 0 HH22 ARG A 158 -8.309 4.915 -8.846 1.00 3.61 H new ATOM 138 N VAL A 159 -2.546 -0.498 -4.526 1.00 1.17 N ATOM 139 CA VAL A 159 -1.182 -0.210 -4.130 1.00 1.00 C ATOM 140 C VAL A 159 -0.194 -0.517 -5.244 1.00 1.24 C ATOM 141 O VAL A 159 -0.102 -1.641 -5.703 1.00 1.40 O ATOM 142 CB VAL A 159 -0.805 -1.054 -2.899 1.00 0.77 C ATOM 143 CG1 VAL A 159 0.669 -0.915 -2.585 1.00 0.79 C ATOM 144 CG2 VAL A 159 -1.653 -0.658 -1.703 1.00 0.68 C ATOM 0 H VAL A 159 -2.833 -1.460 -4.346 1.00 1.17 H new ATOM 0 HA VAL A 159 -1.130 0.854 -3.899 1.00 1.00 H new ATOM 0 HB VAL A 159 -1.003 -2.101 -3.126 1.00 0.77 H new ATOM 0 HG11 VAL A 159 0.914 -1.520 -1.712 1.00 0.79 H new ATOM 0 HG12 VAL A 159 1.256 -1.255 -3.438 1.00 0.79 H new ATOM 0 HG13 VAL A 159 0.900 0.130 -2.379 1.00 0.79 H new ATOM 0 HG21 VAL A 159 -1.373 -1.265 -0.842 1.00 0.68 H new ATOM 0 HG22 VAL A 159 -1.489 0.395 -1.474 1.00 0.68 H new ATOM 0 HG23 VAL A 159 -2.706 -0.820 -1.934 1.00 0.68 H new ATOM 154 N PHE A 160 0.556 0.473 -5.672 1.00 1.35 N ATOM 155 CA PHE A 160 1.602 0.246 -6.646 1.00 1.60 C ATOM 156 C PHE A 160 2.865 -0.210 -5.946 1.00 1.50 C ATOM 157 O PHE A 160 3.585 0.583 -5.351 1.00 1.42 O ATOM 158 CB PHE A 160 1.847 1.499 -7.486 1.00 1.81 C ATOM 159 CG PHE A 160 0.798 1.693 -8.543 1.00 2.01 C ATOM 160 CD1 PHE A 160 -0.539 1.720 -8.195 1.00 1.91 C ATOM 161 CD2 PHE A 160 1.142 1.840 -9.875 1.00 2.34 C ATOM 162 CE1 PHE A 160 -1.521 1.887 -9.150 1.00 2.13 C ATOM 163 CE2 PHE A 160 0.166 2.010 -10.839 1.00 2.54 C ATOM 164 CZ PHE A 160 -1.168 2.032 -10.476 1.00 2.44 C ATOM 0 H PHE A 160 0.463 1.441 -5.363 1.00 1.35 H new ATOM 0 HA PHE A 160 1.285 -0.542 -7.329 1.00 1.60 H new ATOM 0 HB2 PHE A 160 1.868 2.372 -6.834 1.00 1.81 H new ATOM 0 HB3 PHE A 160 2.827 1.431 -7.958 1.00 1.81 H new ATOM 0 HD1 PHE A 160 -0.820 1.609 -7.158 1.00 1.91 H new ATOM 0 HD2 PHE A 160 2.182 1.822 -10.164 1.00 2.34 H new ATOM 0 HE1 PHE A 160 -2.561 1.904 -8.861 1.00 2.13 H new ATOM 0 HE2 PHE A 160 0.445 2.126 -11.876 1.00 2.54 H new ATOM 0 HZ PHE A 160 -1.932 2.162 -11.228 1.00 2.44 H new ATOM 174 N LEU A 161 3.111 -1.505 -6.029 1.00 1.56 N ATOM 175 CA LEU A 161 4.242 -2.137 -5.370 1.00 1.52 C ATOM 176 C LEU A 161 5.569 -1.663 -5.964 1.00 1.73 C ATOM 177 O LEU A 161 5.595 -1.083 -7.055 1.00 1.95 O ATOM 178 CB LEU A 161 4.136 -3.648 -5.538 1.00 1.63 C ATOM 179 CG LEU A 161 2.798 -4.269 -5.144 1.00 1.54 C ATOM 180 CD1 LEU A 161 2.688 -5.640 -5.759 1.00 2.07 C ATOM 181 CD2 LEU A 161 2.648 -4.352 -3.636 1.00 1.85 C ATOM 0 H LEU A 161 2.528 -2.153 -6.559 1.00 1.56 H new ATOM 0 HA LEU A 161 4.220 -1.864 -4.315 1.00 1.52 H new ATOM 0 HB2 LEU A 161 4.336 -3.893 -6.581 1.00 1.63 H new ATOM 0 HB3 LEU A 161 4.921 -4.116 -4.944 1.00 1.63 H new ATOM 0 HG LEU A 161 1.995 -3.633 -5.517 1.00 1.54 H new ATOM 0 HD11 LEU A 161 1.734 -6.088 -5.481 1.00 2.07 H new ATOM 0 HD12 LEU A 161 2.747 -5.558 -6.844 1.00 2.07 H new ATOM 0 HD13 LEU A 161 3.503 -6.267 -5.398 1.00 2.07 H new ATOM 0 HD21 LEU A 161 1.685 -4.799 -3.390 1.00 1.85 H new ATOM 0 HD22 LEU A 161 3.449 -4.966 -3.224 1.00 1.85 H new ATOM 0 HD23 LEU A 161 2.703 -3.351 -3.209 1.00 1.85 H new ATOM 193 N PRO A 162 6.682 -1.895 -5.245 1.00 1.72 N ATOM 194 CA PRO A 162 8.031 -1.631 -5.749 1.00 1.96 C ATOM 195 C PRO A 162 8.243 -2.130 -7.182 1.00 2.24 C ATOM 196 O PRO A 162 7.692 -3.159 -7.583 1.00 2.27 O ATOM 197 CB PRO A 162 8.915 -2.417 -4.784 1.00 1.92 C ATOM 198 CG PRO A 162 8.170 -2.406 -3.495 1.00 1.65 C ATOM 199 CD PRO A 162 6.706 -2.394 -3.853 1.00 1.51 C ATOM 0 HA PRO A 162 8.244 -0.563 -5.792 1.00 1.96 H new ATOM 0 HB2 PRO A 162 9.080 -3.435 -5.137 1.00 1.92 H new ATOM 0 HB3 PRO A 162 9.896 -1.953 -4.678 1.00 1.92 H new ATOM 0 HG2 PRO A 162 8.417 -3.283 -2.896 1.00 1.65 H new ATOM 0 HG3 PRO A 162 8.432 -1.530 -2.902 1.00 1.65 H new ATOM 0 HD2 PRO A 162 6.269 -3.390 -3.778 1.00 1.51 H new ATOM 0 HD3 PRO A 162 6.137 -1.745 -3.187 1.00 1.51 H new ATOM 207 N ASN A 163 9.048 -1.387 -7.935 1.00 2.48 N ATOM 208 CA ASN A 163 9.355 -1.705 -9.330 1.00 2.78 C ATOM 209 C ASN A 163 8.116 -1.631 -10.201 1.00 2.84 C ATOM 210 O ASN A 163 7.883 -2.482 -11.063 1.00 3.05 O ATOM 211 CB ASN A 163 10.034 -3.075 -9.464 1.00 2.88 C ATOM 212 CG ASN A 163 11.420 -3.103 -8.848 1.00 3.09 C ATOM 213 OD1 ASN A 163 12.133 -2.100 -8.852 1.00 3.40 O ATOM 214 ND2 ASN A 163 11.811 -4.249 -8.313 1.00 3.47 N ATOM 0 H ASN A 163 9.509 -0.543 -7.595 1.00 2.48 H new ATOM 0 HA ASN A 163 10.059 -0.951 -9.681 1.00 2.78 H new ATOM 0 HB2 ASN A 163 9.413 -3.832 -8.986 1.00 2.88 H new ATOM 0 HB3 ASN A 163 10.104 -3.340 -10.519 1.00 2.88 H new ATOM 0 HD21 ASN A 163 12.733 -4.323 -7.884 1.00 3.47 H new ATOM 0 HD22 ASN A 163 11.190 -5.058 -8.330 1.00 3.47 H new ATOM 221 N LYS A 164 7.346 -0.580 -9.964 1.00 2.69 N ATOM 222 CA LYS A 164 6.247 -0.173 -10.827 1.00 2.78 C ATOM 223 C LYS A 164 5.211 -1.280 -11.004 1.00 2.78 C ATOM 224 O LYS A 164 4.589 -1.412 -12.064 1.00 3.01 O ATOM 225 CB LYS A 164 6.763 0.314 -12.182 1.00 3.11 C ATOM 226 CG LYS A 164 7.834 1.392 -12.065 1.00 3.16 C ATOM 227 CD LYS A 164 9.216 0.805 -11.902 1.00 3.36 C ATOM 228 CE LYS A 164 9.542 -0.176 -13.009 1.00 3.97 C ATOM 229 NZ LYS A 164 10.949 -0.645 -12.946 1.00 4.66 N ATOM 0 H LYS A 164 7.469 0.025 -9.152 1.00 2.69 H new ATOM 0 HA LYS A 164 5.746 0.659 -10.332 1.00 2.78 H new ATOM 0 HB2 LYS A 164 7.169 -0.533 -12.735 1.00 3.11 H new ATOM 0 HB3 LYS A 164 5.927 0.703 -12.763 1.00 3.11 H new ATOM 0 HG2 LYS A 164 7.811 2.023 -12.954 1.00 3.16 H new ATOM 0 HG3 LYS A 164 7.610 2.034 -11.213 1.00 3.16 H new ATOM 0 HD2 LYS A 164 9.954 1.607 -11.898 1.00 3.36 H new ATOM 0 HD3 LYS A 164 9.286 0.302 -10.938 1.00 3.36 H new ATOM 0 HE2 LYS A 164 8.872 -1.033 -12.942 1.00 3.97 H new ATOM 0 HE3 LYS A 164 9.361 0.295 -13.975 1.00 3.97 H new ATOM 0 HZ1 LYS A 164 11.127 -1.314 -13.722 1.00 4.66 H new ATOM 0 HZ2 LYS A 164 11.591 0.169 -13.036 1.00 4.66 H new ATOM 0 HZ3 LYS A 164 11.117 -1.119 -12.035 1.00 4.66 H new ATOM 243 N GLN A 165 5.043 -2.077 -9.965 1.00 2.56 N ATOM 244 CA GLN A 165 4.039 -3.106 -9.925 1.00 2.56 C ATOM 245 C GLN A 165 2.792 -2.561 -9.249 1.00 2.31 C ATOM 246 O GLN A 165 2.804 -1.436 -8.768 1.00 2.15 O ATOM 247 CB GLN A 165 4.602 -4.282 -9.145 1.00 2.53 C ATOM 248 CG GLN A 165 5.415 -5.241 -9.993 1.00 2.86 C ATOM 249 CD GLN A 165 6.350 -6.105 -9.167 1.00 3.08 C ATOM 250 OE1 GLN A 165 6.077 -6.412 -8.007 1.00 3.33 O ATOM 251 NE2 GLN A 165 7.459 -6.509 -9.761 1.00 3.57 N ATOM 0 H GLN A 165 5.610 -2.022 -9.119 1.00 2.56 H new ATOM 0 HA GLN A 165 3.771 -3.430 -10.931 1.00 2.56 H new ATOM 0 HB2 GLN A 165 5.229 -3.904 -8.337 1.00 2.53 H new ATOM 0 HB3 GLN A 165 3.779 -4.827 -8.682 1.00 2.53 H new ATOM 0 HG2 GLN A 165 4.739 -5.882 -10.558 1.00 2.86 H new ATOM 0 HG3 GLN A 165 5.997 -4.673 -10.719 1.00 2.86 H new ATOM 0 HE21 GLN A 165 7.651 -6.234 -10.724 1.00 3.57 H new ATOM 0 HE22 GLN A 165 8.123 -7.096 -9.256 1.00 3.57 H new ATOM 260 N ARG A 166 1.708 -3.317 -9.249 1.00 2.31 N ATOM 261 CA ARG A 166 0.537 -2.923 -8.499 1.00 2.09 C ATOM 262 C ARG A 166 -0.249 -4.122 -7.993 1.00 2.04 C ATOM 263 O ARG A 166 -0.419 -5.123 -8.691 1.00 2.28 O ATOM 264 CB ARG A 166 -0.363 -2.000 -9.311 1.00 2.22 C ATOM 265 CG ARG A 166 -0.891 -2.602 -10.585 1.00 2.51 C ATOM 266 CD ARG A 166 -1.830 -1.645 -11.295 1.00 2.64 C ATOM 267 NE ARG A 166 -2.354 -2.218 -12.533 1.00 2.98 N ATOM 268 CZ ARG A 166 -3.228 -1.608 -13.332 1.00 3.20 C ATOM 269 NH1 ARG A 166 -3.702 -0.406 -13.017 1.00 3.17 N ATOM 270 NH2 ARG A 166 -3.636 -2.209 -14.443 1.00 3.54 N ATOM 0 H ARG A 166 1.618 -4.198 -9.756 1.00 2.31 H new ATOM 0 HA ARG A 166 0.897 -2.372 -7.630 1.00 2.09 H new ATOM 0 HB2 ARG A 166 -1.207 -1.698 -8.690 1.00 2.22 H new ATOM 0 HB3 ARG A 166 0.193 -1.095 -9.555 1.00 2.22 H new ATOM 0 HG2 ARG A 166 -0.060 -2.855 -11.243 1.00 2.51 H new ATOM 0 HG3 ARG A 166 -1.415 -3.531 -10.362 1.00 2.51 H new ATOM 0 HD2 ARG A 166 -2.658 -1.390 -10.633 1.00 2.64 H new ATOM 0 HD3 ARG A 166 -1.303 -0.717 -11.518 1.00 2.64 H new ATOM 0 HE ARG A 166 -2.029 -3.146 -12.803 1.00 2.98 H new ATOM 0 HH11 ARG A 166 -3.396 0.054 -12.159 1.00 3.17 H new ATOM 0 HH12 ARG A 166 -4.371 0.056 -13.633 1.00 3.17 H new ATOM 0 HH21 ARG A 166 -3.280 -3.135 -14.682 1.00 3.54 H new ATOM 0 HH22 ARG A 166 -4.305 -1.745 -15.057 1.00 3.54 H new ATOM 284 N THR A 167 -0.687 -4.008 -6.763 1.00 1.77 N ATOM 285 CA THR A 167 -1.578 -4.945 -6.149 1.00 1.75 C ATOM 286 C THR A 167 -2.597 -4.166 -5.318 1.00 1.63 C ATOM 287 O THR A 167 -2.233 -3.237 -4.600 1.00 1.62 O ATOM 288 CB THR A 167 -0.773 -5.915 -5.276 1.00 1.62 C ATOM 289 OG1 THR A 167 -0.813 -7.235 -5.832 1.00 1.91 O ATOM 290 CG2 THR A 167 -1.269 -5.924 -3.849 1.00 1.47 C ATOM 0 H THR A 167 -0.422 -3.237 -6.150 1.00 1.77 H new ATOM 0 HA THR A 167 -2.107 -5.530 -6.902 1.00 1.75 H new ATOM 0 HB THR A 167 0.261 -5.569 -5.261 1.00 1.62 H new ATOM 0 HG1 THR A 167 -0.294 -7.844 -5.266 1.00 1.91 H new ATOM 0 HG21 THR A 167 -0.674 -6.623 -3.261 1.00 1.47 H new ATOM 0 HG22 THR A 167 -1.177 -4.924 -3.425 1.00 1.47 H new ATOM 0 HG23 THR A 167 -2.315 -6.231 -3.829 1.00 1.47 H new ATOM 298 N VAL A 168 -3.866 -4.503 -5.434 1.00 1.71 N ATOM 299 CA VAL A 168 -4.884 -3.797 -4.680 1.00 1.63 C ATOM 300 C VAL A 168 -5.224 -4.595 -3.423 1.00 1.55 C ATOM 301 O VAL A 168 -5.293 -5.822 -3.460 1.00 1.69 O ATOM 302 CB VAL A 168 -6.139 -3.506 -5.546 1.00 1.90 C ATOM 303 CG1 VAL A 168 -5.754 -3.401 -7.009 1.00 2.22 C ATOM 304 CG2 VAL A 168 -7.243 -4.526 -5.379 1.00 2.31 C ATOM 0 H VAL A 168 -4.214 -5.251 -6.034 1.00 1.71 H new ATOM 0 HA VAL A 168 -4.495 -2.825 -4.379 1.00 1.63 H new ATOM 0 HB VAL A 168 -6.537 -2.556 -5.191 1.00 1.90 H new ATOM 0 HG11 VAL A 168 -6.643 -3.197 -7.605 1.00 2.22 H new ATOM 0 HG12 VAL A 168 -5.036 -2.591 -7.139 1.00 2.22 H new ATOM 0 HG13 VAL A 168 -5.306 -4.339 -7.336 1.00 2.22 H new ATOM 0 HG21 VAL A 168 -8.086 -4.257 -6.015 1.00 2.31 H new ATOM 0 HG22 VAL A 168 -6.874 -5.511 -5.664 1.00 2.31 H new ATOM 0 HG23 VAL A 168 -7.565 -4.546 -4.338 1.00 2.31 H new ATOM 314 N VAL A 169 -5.360 -3.908 -2.301 1.00 1.38 N ATOM 315 CA VAL A 169 -5.692 -4.562 -1.045 1.00 1.41 C ATOM 316 C VAL A 169 -6.952 -3.942 -0.457 1.00 1.50 C ATOM 317 O VAL A 169 -7.072 -2.720 -0.398 1.00 1.41 O ATOM 318 CB VAL A 169 -4.532 -4.475 -0.011 1.00 1.24 C ATOM 319 CG1 VAL A 169 -4.109 -3.034 0.237 1.00 1.57 C ATOM 320 CG2 VAL A 169 -4.918 -5.141 1.305 1.00 1.67 C ATOM 0 H VAL A 169 -5.246 -2.897 -2.234 1.00 1.38 H new ATOM 0 HA VAL A 169 -5.861 -5.617 -1.261 1.00 1.41 H new ATOM 0 HB VAL A 169 -3.683 -5.010 -0.437 1.00 1.24 H new ATOM 0 HG11 VAL A 169 -3.297 -3.013 0.964 1.00 1.57 H new ATOM 0 HG12 VAL A 169 -3.770 -2.588 -0.698 1.00 1.57 H new ATOM 0 HG13 VAL A 169 -4.956 -2.467 0.623 1.00 1.57 H new ATOM 0 HG21 VAL A 169 -4.089 -5.065 2.008 1.00 1.67 H new ATOM 0 HG22 VAL A 169 -5.794 -4.643 1.722 1.00 1.67 H new ATOM 0 HG23 VAL A 169 -5.148 -6.192 1.127 1.00 1.67 H new ATOM 330 N PRO A 170 -7.927 -4.773 -0.061 1.00 1.73 N ATOM 331 CA PRO A 170 -9.152 -4.309 0.576 1.00 1.87 C ATOM 332 C PRO A 170 -8.863 -3.367 1.732 1.00 1.79 C ATOM 333 O PRO A 170 -8.044 -3.668 2.607 1.00 1.76 O ATOM 334 CB PRO A 170 -9.830 -5.597 1.074 1.00 2.12 C ATOM 335 CG PRO A 170 -8.825 -6.681 0.877 1.00 2.10 C ATOM 336 CD PRO A 170 -7.945 -6.223 -0.246 1.00 1.90 C ATOM 0 HA PRO A 170 -9.779 -3.741 -0.111 1.00 1.87 H new ATOM 0 HB2 PRO A 170 -10.113 -5.511 2.123 1.00 2.12 H new ATOM 0 HB3 PRO A 170 -10.742 -5.802 0.514 1.00 2.12 H new ATOM 0 HG2 PRO A 170 -8.246 -6.847 1.785 1.00 2.10 H new ATOM 0 HG3 PRO A 170 -9.311 -7.625 0.632 1.00 2.10 H new ATOM 0 HD2 PRO A 170 -6.946 -6.653 -0.180 1.00 1.90 H new ATOM 0 HD3 PRO A 170 -8.349 -6.503 -1.219 1.00 1.90 H new ATOM 344 N ALA A 171 -9.527 -2.219 1.709 1.00 1.82 N ATOM 345 CA ALA A 171 -9.348 -1.195 2.727 1.00 1.82 C ATOM 346 C ALA A 171 -9.952 -1.649 4.042 1.00 2.05 C ATOM 347 O ALA A 171 -11.060 -1.258 4.416 1.00 2.28 O ATOM 348 CB ALA A 171 -9.960 0.117 2.270 1.00 1.88 C ATOM 0 H ALA A 171 -10.203 -1.973 0.986 1.00 1.82 H new ATOM 0 HA ALA A 171 -8.281 -1.035 2.881 1.00 1.82 H new ATOM 0 HB1 ALA A 171 -9.818 0.873 3.042 1.00 1.88 H new ATOM 0 HB2 ALA A 171 -9.476 0.443 1.349 1.00 1.88 H new ATOM 0 HB3 ALA A 171 -11.026 -0.022 2.090 1.00 1.88 H new ATOM 354 N ARG A 172 -9.212 -2.510 4.713 1.00 2.03 N ATOM 355 CA ARG A 172 -9.611 -3.067 5.985 1.00 2.28 C ATOM 356 C ARG A 172 -9.824 -1.958 7.017 1.00 2.44 C ATOM 357 O ARG A 172 -9.018 -1.038 7.131 1.00 2.39 O ATOM 358 CB ARG A 172 -8.543 -4.070 6.442 1.00 2.23 C ATOM 359 CG ARG A 172 -8.481 -5.319 5.573 1.00 2.18 C ATOM 360 CD ARG A 172 -8.654 -6.590 6.390 1.00 2.43 C ATOM 361 NE ARG A 172 -7.514 -6.858 7.268 1.00 2.82 N ATOM 362 CZ ARG A 172 -7.625 -7.370 8.495 1.00 3.26 C ATOM 363 NH1 ARG A 172 -8.823 -7.617 9.011 1.00 3.26 N ATOM 364 NH2 ARG A 172 -6.539 -7.640 9.206 1.00 3.98 N ATOM 0 H ARG A 172 -8.306 -2.845 4.384 1.00 2.03 H new ATOM 0 HA ARG A 172 -10.562 -3.589 5.880 1.00 2.28 H new ATOM 0 HB2 ARG A 172 -7.569 -3.582 6.435 1.00 2.23 H new ATOM 0 HB3 ARG A 172 -8.745 -4.362 7.472 1.00 2.23 H new ATOM 0 HG2 ARG A 172 -9.258 -5.269 4.811 1.00 2.18 H new ATOM 0 HG3 ARG A 172 -7.525 -5.351 5.051 1.00 2.18 H new ATOM 0 HD2 ARG A 172 -9.559 -6.510 6.992 1.00 2.43 H new ATOM 0 HD3 ARG A 172 -8.794 -7.434 5.715 1.00 2.43 H new ATOM 0 HE ARG A 172 -6.580 -6.641 6.921 1.00 2.82 H new ATOM 0 HH11 ARG A 172 -9.663 -7.415 8.469 1.00 3.26 H new ATOM 0 HH12 ARG A 172 -8.903 -8.008 9.949 1.00 3.26 H new ATOM 0 HH21 ARG A 172 -5.615 -7.456 8.815 1.00 3.98 H new ATOM 0 HH22 ARG A 172 -6.628 -8.031 10.144 1.00 3.98 H new ATOM 378 N CYS A 173 -10.929 -2.034 7.741 1.00 2.68 N ATOM 379 CA CYS A 173 -11.268 -1.017 8.726 1.00 2.89 C ATOM 380 C CYS A 173 -10.808 -1.437 10.115 1.00 3.07 C ATOM 381 O CYS A 173 -10.985 -2.589 10.516 1.00 3.19 O ATOM 382 CB CYS A 173 -12.776 -0.754 8.707 1.00 3.08 C ATOM 383 SG CYS A 173 -13.780 -2.254 8.620 1.00 3.37 S ATOM 0 H CYS A 173 -11.609 -2.791 7.665 1.00 2.68 H new ATOM 0 HA CYS A 173 -10.750 -0.093 8.469 1.00 2.89 H new ATOM 0 HB2 CYS A 173 -13.049 -0.197 9.603 1.00 3.08 H new ATOM 0 HB3 CYS A 173 -13.014 -0.120 7.853 1.00 3.08 H new ATOM 0 HG CYS A 173 -15.040 -1.933 8.611 1.00 3.37 H new ATOM 389 N GLY A 174 -10.207 -0.505 10.843 1.00 3.11 N ATOM 390 CA GLY A 174 -9.657 -0.825 12.144 1.00 3.31 C ATOM 391 C GLY A 174 -8.336 -1.554 12.022 1.00 3.16 C ATOM 392 O GLY A 174 -7.913 -2.268 12.934 1.00 3.34 O ATOM 0 H GLY A 174 -10.091 0.467 10.555 1.00 3.11 H new ATOM 0 HA2 GLY A 174 -9.517 0.092 12.717 1.00 3.31 H new ATOM 0 HA3 GLY A 174 -10.365 -1.442 12.698 1.00 3.31 H new ATOM 396 N VAL A 175 -7.690 -1.381 10.883 1.00 2.87 N ATOM 397 CA VAL A 175 -6.434 -2.048 10.600 1.00 2.70 C ATOM 398 C VAL A 175 -5.367 -1.013 10.273 1.00 2.51 C ATOM 399 O VAL A 175 -5.668 0.168 10.107 1.00 2.45 O ATOM 400 CB VAL A 175 -6.579 -3.024 9.419 1.00 2.53 C ATOM 401 CG1 VAL A 175 -6.508 -2.272 8.124 1.00 2.60 C ATOM 402 CG2 VAL A 175 -5.528 -4.116 9.442 1.00 2.77 C ATOM 0 H VAL A 175 -8.021 -0.776 10.131 1.00 2.87 H new ATOM 0 HA VAL A 175 -6.143 -2.616 11.484 1.00 2.70 H new ATOM 0 HB VAL A 175 -7.551 -3.508 9.514 1.00 2.53 H new ATOM 0 HG11 VAL A 175 -6.611 -2.969 7.292 1.00 2.60 H new ATOM 0 HG12 VAL A 175 -7.313 -1.538 8.085 1.00 2.60 H new ATOM 0 HG13 VAL A 175 -5.548 -1.761 8.052 1.00 2.60 H new ATOM 0 HG21 VAL A 175 -5.673 -4.779 8.589 1.00 2.77 H new ATOM 0 HG22 VAL A 175 -4.536 -3.667 9.389 1.00 2.77 H new ATOM 0 HG23 VAL A 175 -5.618 -4.688 10.365 1.00 2.77 H new ATOM 412 N THR A 176 -4.133 -1.460 10.172 1.00 2.46 N ATOM 413 CA THR A 176 -3.049 -0.594 9.791 1.00 2.32 C ATOM 414 C THR A 176 -2.643 -0.887 8.359 1.00 1.98 C ATOM 415 O THR A 176 -2.949 -1.965 7.826 1.00 1.90 O ATOM 416 CB THR A 176 -1.827 -0.792 10.702 1.00 2.50 C ATOM 417 OG1 THR A 176 -1.445 -2.176 10.712 1.00 2.55 O ATOM 418 CG2 THR A 176 -2.110 -0.329 12.128 1.00 2.83 C ATOM 0 H THR A 176 -3.859 -2.426 10.351 1.00 2.46 H new ATOM 0 HA THR A 176 -3.394 0.436 9.887 1.00 2.32 H new ATOM 0 HB THR A 176 -1.013 -0.186 10.304 1.00 2.50 H new ATOM 0 HG1 THR A 176 -0.833 -2.341 11.459 1.00 2.55 H new ATOM 0 HG21 THR A 176 -1.224 -0.484 12.744 1.00 2.83 H new ATOM 0 HG22 THR A 176 -2.367 0.730 12.122 1.00 2.83 H new ATOM 0 HG23 THR A 176 -2.942 -0.902 12.538 1.00 2.83 H new ATOM 426 N VAL A 177 -1.964 0.062 7.738 1.00 1.82 N ATOM 427 CA VAL A 177 -1.368 -0.161 6.431 1.00 1.52 C ATOM 428 C VAL A 177 -0.492 -1.400 6.493 1.00 1.52 C ATOM 429 O VAL A 177 -0.397 -2.148 5.536 1.00 1.33 O ATOM 430 CB VAL A 177 -0.497 1.035 5.994 1.00 1.45 C ATOM 431 CG1 VAL A 177 -0.147 0.950 4.520 1.00 1.78 C ATOM 432 CG2 VAL A 177 -1.184 2.346 6.311 1.00 1.92 C ATOM 0 H VAL A 177 -1.811 0.996 8.118 1.00 1.82 H new ATOM 0 HA VAL A 177 -2.174 -0.285 5.708 1.00 1.52 H new ATOM 0 HB VAL A 177 0.434 0.994 6.560 1.00 1.45 H new ATOM 0 HG11 VAL A 177 0.467 1.806 4.242 1.00 1.78 H new ATOM 0 HG12 VAL A 177 0.406 0.030 4.330 1.00 1.78 H new ATOM 0 HG13 VAL A 177 -1.062 0.952 3.928 1.00 1.78 H new ATOM 0 HG21 VAL A 177 -0.551 3.175 5.994 1.00 1.92 H new ATOM 0 HG22 VAL A 177 -2.137 2.395 5.783 1.00 1.92 H new ATOM 0 HG23 VAL A 177 -1.360 2.414 7.385 1.00 1.92 H new ATOM 442 N ARG A 178 0.116 -1.616 7.652 1.00 1.79 N ATOM 443 CA ARG A 178 1.015 -2.731 7.866 1.00 1.88 C ATOM 444 C ARG A 178 0.372 -4.073 7.540 1.00 1.85 C ATOM 445 O ARG A 178 0.943 -4.864 6.804 1.00 1.73 O ATOM 446 CB ARG A 178 1.506 -2.714 9.313 1.00 2.23 C ATOM 447 CG ARG A 178 2.478 -3.825 9.635 1.00 2.43 C ATOM 448 CD ARG A 178 3.618 -3.858 8.636 1.00 2.70 C ATOM 449 NE ARG A 178 4.558 -4.945 8.900 1.00 3.12 N ATOM 450 CZ ARG A 178 5.849 -4.770 9.185 1.00 3.76 C ATOM 451 NH1 ARG A 178 6.357 -3.548 9.296 1.00 4.24 N ATOM 452 NH2 ARG A 178 6.631 -5.825 9.374 1.00 4.27 N ATOM 0 H ARG A 178 -0.004 -1.018 8.470 1.00 1.79 H new ATOM 0 HA ARG A 178 1.857 -2.614 7.183 1.00 1.88 H new ATOM 0 HB2 ARG A 178 1.983 -1.755 9.515 1.00 2.23 H new ATOM 0 HB3 ARG A 178 0.647 -2.789 9.980 1.00 2.23 H new ATOM 0 HG2 ARG A 178 2.875 -3.685 10.640 1.00 2.43 H new ATOM 0 HG3 ARG A 178 1.957 -4.782 9.628 1.00 2.43 H new ATOM 0 HD2 ARG A 178 3.213 -3.968 7.630 1.00 2.70 H new ATOM 0 HD3 ARG A 178 4.150 -2.907 8.664 1.00 2.70 H new ATOM 0 HE ARG A 178 4.203 -5.901 8.864 1.00 3.12 H new ATOM 0 HH11 ARG A 178 5.758 -2.733 9.163 1.00 4.24 H new ATOM 0 HH12 ARG A 178 7.346 -3.425 9.514 1.00 4.24 H new ATOM 0 HH21 ARG A 178 6.244 -6.766 9.301 1.00 4.27 H new ATOM 0 HH22 ARG A 178 7.619 -5.695 9.592 1.00 4.27 H new ATOM 466 N ASP A 179 -0.810 -4.316 8.072 1.00 2.00 N ATOM 467 CA ASP A 179 -1.477 -5.603 7.899 1.00 2.07 C ATOM 468 C ASP A 179 -1.970 -5.760 6.468 1.00 1.81 C ATOM 469 O ASP A 179 -1.752 -6.787 5.810 1.00 1.77 O ATOM 470 CB ASP A 179 -2.664 -5.705 8.852 1.00 2.32 C ATOM 471 CG ASP A 179 -3.245 -7.102 8.922 1.00 2.51 C ATOM 472 OD1 ASP A 179 -2.821 -7.884 9.794 1.00 2.78 O ATOM 473 OD2 ASP A 179 -4.144 -7.419 8.116 1.00 2.87 O ATOM 0 H ASP A 179 -1.334 -3.641 8.630 1.00 2.00 H new ATOM 0 HA ASP A 179 -0.760 -6.394 8.118 1.00 2.07 H new ATOM 0 HB2 ASP A 179 -2.350 -5.397 9.849 1.00 2.32 H new ATOM 0 HB3 ASP A 179 -3.440 -5.010 8.533 1.00 2.32 H new ATOM 478 N SER A 180 -2.623 -4.722 5.984 1.00 1.66 N ATOM 479 CA SER A 180 -3.198 -4.742 4.655 1.00 1.46 C ATOM 480 C SER A 180 -2.109 -4.840 3.588 1.00 1.22 C ATOM 481 O SER A 180 -2.176 -5.680 2.688 1.00 1.22 O ATOM 482 CB SER A 180 -4.070 -3.506 4.478 1.00 1.40 C ATOM 483 OG SER A 180 -5.349 -3.708 5.056 1.00 1.99 O ATOM 0 H SER A 180 -2.769 -3.851 6.494 1.00 1.66 H new ATOM 0 HA SER A 180 -3.823 -5.627 4.535 1.00 1.46 H new ATOM 0 HB2 SER A 180 -3.588 -2.645 4.941 1.00 1.40 H new ATOM 0 HB3 SER A 180 -4.177 -3.279 3.417 1.00 1.40 H new ATOM 0 HG SER A 180 -6.022 -3.776 4.346 1.00 1.99 H new ATOM 489 N LEU A 181 -1.088 -4.010 3.710 1.00 1.10 N ATOM 490 CA LEU A 181 0.042 -4.061 2.812 1.00 0.92 C ATOM 491 C LEU A 181 0.860 -5.330 3.013 1.00 1.10 C ATOM 492 O LEU A 181 1.554 -5.771 2.102 1.00 1.07 O ATOM 493 CB LEU A 181 0.920 -2.848 3.025 1.00 0.85 C ATOM 494 CG LEU A 181 0.580 -1.639 2.160 1.00 0.68 C ATOM 495 CD1 LEU A 181 1.205 -1.793 0.790 1.00 0.94 C ATOM 496 CD2 LEU A 181 -0.926 -1.464 2.022 1.00 1.34 C ATOM 0 H LEU A 181 -1.023 -3.289 4.429 1.00 1.10 H new ATOM 0 HA LEU A 181 -0.340 -4.066 1.791 1.00 0.92 H new ATOM 0 HB2 LEU A 181 0.857 -2.554 4.073 1.00 0.85 H new ATOM 0 HB3 LEU A 181 1.955 -3.131 2.835 1.00 0.85 H new ATOM 0 HG LEU A 181 0.982 -0.751 2.648 1.00 0.68 H new ATOM 0 HD11 LEU A 181 0.958 -0.926 0.178 1.00 0.94 H new ATOM 0 HD12 LEU A 181 2.288 -1.870 0.891 1.00 0.94 H new ATOM 0 HD13 LEU A 181 0.820 -2.695 0.314 1.00 0.94 H new ATOM 0 HD21 LEU A 181 -1.136 -0.594 1.400 1.00 1.34 H new ATOM 0 HD22 LEU A 181 -1.355 -2.353 1.559 1.00 1.34 H new ATOM 0 HD23 LEU A 181 -1.367 -1.320 3.008 1.00 1.34 H new ATOM 508 N LYS A 182 0.790 -5.905 4.213 1.00 1.35 N ATOM 509 CA LYS A 182 1.460 -7.170 4.488 1.00 1.55 C ATOM 510 C LYS A 182 1.009 -8.213 3.474 1.00 1.54 C ATOM 511 O LYS A 182 1.816 -9.005 2.992 1.00 1.58 O ATOM 512 CB LYS A 182 1.191 -7.628 5.933 1.00 1.84 C ATOM 513 CG LYS A 182 0.534 -8.993 6.062 1.00 2.25 C ATOM 514 CD LYS A 182 0.153 -9.304 7.505 1.00 2.48 C ATOM 515 CE LYS A 182 1.369 -9.375 8.419 1.00 2.59 C ATOM 516 NZ LYS A 182 2.256 -10.520 8.085 1.00 3.08 N ATOM 0 H LYS A 182 0.278 -5.516 5.005 1.00 1.35 H new ATOM 0 HA LYS A 182 2.538 -7.037 4.391 1.00 1.55 H new ATOM 0 HB2 LYS A 182 2.136 -7.644 6.475 1.00 1.84 H new ATOM 0 HB3 LYS A 182 0.556 -6.888 6.421 1.00 1.84 H new ATOM 0 HG2 LYS A 182 -0.357 -9.028 5.435 1.00 2.25 H new ATOM 0 HG3 LYS A 182 1.214 -9.760 5.692 1.00 2.25 H new ATOM 0 HD2 LYS A 182 -0.531 -8.538 7.872 1.00 2.48 H new ATOM 0 HD3 LYS A 182 -0.382 -10.253 7.541 1.00 2.48 H new ATOM 0 HE2 LYS A 182 1.934 -8.446 8.343 1.00 2.59 H new ATOM 0 HE3 LYS A 182 1.039 -9.463 9.454 1.00 2.59 H new ATOM 0 HZ1 LYS A 182 3.004 -10.600 8.803 1.00 3.08 H new ATOM 0 HZ2 LYS A 182 1.698 -11.398 8.067 1.00 3.08 H new ATOM 0 HZ3 LYS A 182 2.687 -10.364 7.151 1.00 3.08 H new ATOM 530 N LYS A 183 -0.280 -8.188 3.134 1.00 1.56 N ATOM 531 CA LYS A 183 -0.776 -9.018 2.038 1.00 1.62 C ATOM 532 C LYS A 183 -0.205 -8.536 0.711 1.00 1.47 C ATOM 533 O LYS A 183 0.296 -9.332 -0.083 1.00 1.59 O ATOM 534 CB LYS A 183 -2.305 -8.994 1.950 1.00 1.72 C ATOM 535 CG LYS A 183 -2.842 -9.881 0.836 1.00 1.85 C ATOM 536 CD LYS A 183 -4.256 -9.505 0.417 1.00 1.95 C ATOM 537 CE LYS A 183 -4.857 -10.558 -0.502 1.00 2.25 C ATOM 538 NZ LYS A 183 -4.835 -11.913 0.110 1.00 2.75 N ATOM 0 H LYS A 183 -0.987 -7.613 3.592 1.00 1.56 H new ATOM 0 HA LYS A 183 -0.454 -10.039 2.241 1.00 1.62 H new ATOM 0 HB2 LYS A 183 -2.725 -9.319 2.902 1.00 1.72 H new ATOM 0 HB3 LYS A 183 -2.640 -7.970 1.787 1.00 1.72 H new ATOM 0 HG2 LYS A 183 -2.181 -9.813 -0.028 1.00 1.85 H new ATOM 0 HG3 LYS A 183 -2.829 -10.920 1.166 1.00 1.85 H new ATOM 0 HD2 LYS A 183 -4.882 -9.391 1.302 1.00 1.95 H new ATOM 0 HD3 LYS A 183 -4.243 -8.540 -0.091 1.00 1.95 H new ATOM 0 HE2 LYS A 183 -5.885 -10.286 -0.741 1.00 2.25 H new ATOM 0 HE3 LYS A 183 -4.305 -10.576 -1.442 1.00 2.25 H new ATOM 0 HZ1 LYS A 183 -5.723 -12.408 -0.110 1.00 2.75 H new ATOM 0 HZ2 LYS A 183 -4.033 -12.454 -0.272 1.00 2.75 H new ATOM 0 HZ3 LYS A 183 -4.734 -11.826 1.141 1.00 2.75 H new ATOM 552 N ALA A 184 -0.291 -7.227 0.491 1.00 1.26 N ATOM 553 CA ALA A 184 0.127 -6.615 -0.767 1.00 1.18 C ATOM 554 C ALA A 184 1.525 -7.060 -1.185 1.00 1.25 C ATOM 555 O ALA A 184 1.718 -7.575 -2.289 1.00 1.43 O ATOM 556 CB ALA A 184 0.069 -5.097 -0.655 1.00 0.93 C ATOM 0 H ALA A 184 -0.651 -6.563 1.176 1.00 1.26 H new ATOM 0 HA ALA A 184 -0.565 -6.949 -1.540 1.00 1.18 H new ATOM 0 HB1 ALA A 184 0.383 -4.650 -1.598 1.00 0.93 H new ATOM 0 HB2 ALA A 184 -0.951 -4.788 -0.429 1.00 0.93 H new ATOM 0 HB3 ALA A 184 0.734 -4.765 0.142 1.00 0.93 H new ATOM 562 N LEU A 185 2.492 -6.862 -0.301 1.00 1.18 N ATOM 563 CA LEU A 185 3.859 -7.271 -0.565 1.00 1.30 C ATOM 564 C LEU A 185 3.947 -8.790 -0.722 1.00 1.54 C ATOM 565 O LEU A 185 4.448 -9.285 -1.732 1.00 1.70 O ATOM 566 CB LEU A 185 4.795 -6.805 0.568 1.00 1.28 C ATOM 567 CG LEU A 185 5.176 -5.323 0.603 1.00 1.20 C ATOM 568 CD1 LEU A 185 5.250 -4.709 -0.780 1.00 1.69 C ATOM 569 CD2 LEU A 185 4.239 -4.566 1.498 1.00 1.54 C ATOM 0 H LEU A 185 2.352 -6.419 0.607 1.00 1.18 H new ATOM 0 HA LEU A 185 4.176 -6.803 -1.497 1.00 1.30 H new ATOM 0 HB2 LEU A 185 4.323 -7.054 1.518 1.00 1.28 H new ATOM 0 HB3 LEU A 185 5.714 -7.388 0.506 1.00 1.28 H new ATOM 0 HG LEU A 185 6.182 -5.252 1.017 1.00 1.20 H new ATOM 0 HD11 LEU A 185 5.524 -3.657 -0.697 1.00 1.69 H new ATOM 0 HD12 LEU A 185 6.000 -5.234 -1.371 1.00 1.69 H new ATOM 0 HD13 LEU A 185 4.279 -4.794 -1.268 1.00 1.69 H new ATOM 0 HD21 LEU A 185 4.522 -3.513 1.514 1.00 1.54 H new ATOM 0 HD22 LEU A 185 3.220 -4.663 1.123 1.00 1.54 H new ATOM 0 HD23 LEU A 185 4.294 -4.971 2.508 1.00 1.54 H new ATOM 581 N MET A 186 3.432 -9.523 0.262 1.00 1.61 N ATOM 582 CA MET A 186 3.575 -10.978 0.296 1.00 1.84 C ATOM 583 C MET A 186 3.003 -11.677 -0.938 1.00 1.98 C ATOM 584 O MET A 186 3.489 -12.744 -1.315 1.00 2.18 O ATOM 585 CB MET A 186 2.932 -11.538 1.558 1.00 1.94 C ATOM 586 CG MET A 186 3.814 -11.431 2.793 1.00 1.99 C ATOM 587 SD MET A 186 4.959 -12.818 2.958 1.00 2.29 S ATOM 588 CE MET A 186 6.502 -12.071 2.433 1.00 2.25 C ATOM 0 H MET A 186 2.911 -9.134 1.048 1.00 1.61 H new ATOM 0 HA MET A 186 4.646 -11.182 0.298 1.00 1.84 H new ATOM 0 HB2 MET A 186 1.997 -11.010 1.744 1.00 1.94 H new ATOM 0 HB3 MET A 186 2.679 -12.585 1.392 1.00 1.94 H new ATOM 0 HG2 MET A 186 4.381 -10.501 2.749 1.00 1.99 H new ATOM 0 HG3 MET A 186 3.184 -11.379 3.681 1.00 1.99 H new ATOM 0 HE1 MET A 186 7.338 -12.622 2.864 1.00 2.25 H new ATOM 0 HE2 MET A 186 6.570 -12.102 1.346 1.00 2.25 H new ATOM 0 HE3 MET A 186 6.538 -11.035 2.770 1.00 2.25 H new ATOM 598 N MET A 187 2.001 -11.085 -1.587 1.00 1.91 N ATOM 599 CA MET A 187 1.397 -11.720 -2.761 1.00 2.11 C ATOM 600 C MET A 187 2.372 -11.759 -3.932 1.00 2.24 C ATOM 601 O MET A 187 2.227 -12.569 -4.847 1.00 2.50 O ATOM 602 CB MET A 187 0.106 -11.019 -3.185 1.00 2.07 C ATOM 603 CG MET A 187 -1.055 -11.253 -2.232 1.00 2.07 C ATOM 604 SD MET A 187 -2.658 -10.951 -2.998 1.00 2.22 S ATOM 605 CE MET A 187 -2.555 -9.194 -3.302 1.00 1.99 C ATOM 0 H MET A 187 1.596 -10.185 -1.328 1.00 1.91 H new ATOM 0 HA MET A 187 1.152 -12.742 -2.473 1.00 2.11 H new ATOM 0 HB2 MET A 187 0.292 -9.948 -3.261 1.00 2.07 H new ATOM 0 HB3 MET A 187 -0.176 -11.365 -4.179 1.00 2.07 H new ATOM 0 HG2 MET A 187 -1.019 -12.280 -1.868 1.00 2.07 H new ATOM 0 HG3 MET A 187 -0.944 -10.603 -1.364 1.00 2.07 H new ATOM 0 HE1 MET A 187 -3.495 -8.842 -3.726 1.00 1.99 H new ATOM 0 HE2 MET A 187 -2.363 -8.673 -2.364 1.00 1.99 H new ATOM 0 HE3 MET A 187 -1.744 -8.993 -4.002 1.00 1.99 H new ATOM 615 N ARG A 188 3.359 -10.876 -3.909 1.00 2.10 N ATOM 616 CA ARG A 188 4.398 -10.871 -4.927 1.00 2.26 C ATOM 617 C ARG A 188 5.743 -11.255 -4.355 1.00 2.31 C ATOM 618 O ARG A 188 6.791 -11.040 -4.964 1.00 2.49 O ATOM 619 CB ARG A 188 4.462 -9.517 -5.595 1.00 2.17 C ATOM 620 CG ARG A 188 3.601 -9.502 -6.834 1.00 2.35 C ATOM 621 CD ARG A 188 3.646 -8.180 -7.572 1.00 2.34 C ATOM 622 NE ARG A 188 3.012 -8.267 -8.891 1.00 2.97 N ATOM 623 CZ ARG A 188 3.663 -8.584 -10.011 1.00 3.63 C ATOM 624 NH1 ARG A 188 4.960 -8.858 -9.975 1.00 3.90 N ATOM 625 NH2 ARG A 188 3.016 -8.637 -11.168 1.00 4.43 N ATOM 0 H ARG A 188 3.462 -10.154 -3.196 1.00 2.10 H new ATOM 0 HA ARG A 188 4.142 -11.621 -5.675 1.00 2.26 H new ATOM 0 HB2 ARG A 188 4.126 -8.746 -4.902 1.00 2.17 H new ATOM 0 HB3 ARG A 188 5.493 -9.282 -5.858 1.00 2.17 H new ATOM 0 HG2 ARG A 188 3.926 -10.297 -7.505 1.00 2.35 H new ATOM 0 HG3 ARG A 188 2.570 -9.721 -6.556 1.00 2.35 H new ATOM 0 HD2 ARG A 188 3.145 -7.416 -6.978 1.00 2.34 H new ATOM 0 HD3 ARG A 188 4.683 -7.864 -7.688 1.00 2.34 H new ATOM 0 HE ARG A 188 2.013 -8.073 -8.956 1.00 2.97 H new ATOM 0 HH11 ARG A 188 5.463 -8.827 -9.088 1.00 3.90 H new ATOM 0 HH12 ARG A 188 5.454 -9.100 -10.834 1.00 3.90 H new ATOM 0 HH21 ARG A 188 2.017 -8.435 -11.203 1.00 4.43 H new ATOM 0 HH22 ARG A 188 3.518 -8.880 -12.022 1.00 4.43 H new ATOM 639 N GLY A 189 5.687 -11.834 -3.182 1.00 2.21 N ATOM 640 CA GLY A 189 6.886 -12.284 -2.505 1.00 2.31 C ATOM 641 C GLY A 189 7.734 -11.127 -2.033 1.00 2.19 C ATOM 642 O GLY A 189 8.950 -11.254 -1.884 1.00 2.31 O ATOM 0 H GLY A 189 4.822 -12.007 -2.671 1.00 2.21 H new ATOM 0 HA2 GLY A 189 6.610 -12.904 -1.652 1.00 2.31 H new ATOM 0 HA3 GLY A 189 7.470 -12.911 -3.179 1.00 2.31 H new ATOM 646 N LEU A 190 7.085 -9.997 -1.818 1.00 1.98 N ATOM 647 CA LEU A 190 7.750 -8.804 -1.338 1.00 1.90 C ATOM 648 C LEU A 190 7.585 -8.730 0.170 1.00 1.80 C ATOM 649 O LEU A 190 6.729 -9.409 0.736 1.00 1.79 O ATOM 650 CB LEU A 190 7.138 -7.560 -1.988 1.00 1.80 C ATOM 651 CG LEU A 190 6.772 -7.696 -3.465 1.00 2.15 C ATOM 652 CD1 LEU A 190 6.217 -6.391 -3.991 1.00 2.28 C ATOM 653 CD2 LEU A 190 7.970 -8.127 -4.288 1.00 2.37 C ATOM 0 H LEU A 190 6.083 -9.883 -1.972 1.00 1.98 H new ATOM 0 HA LEU A 190 8.808 -8.845 -1.597 1.00 1.90 H new ATOM 0 HB2 LEU A 190 6.240 -7.288 -1.434 1.00 1.80 H new ATOM 0 HB3 LEU A 190 7.841 -6.734 -1.881 1.00 1.80 H new ATOM 0 HG LEU A 190 6.006 -8.467 -3.553 1.00 2.15 H new ATOM 0 HD11 LEU A 190 5.961 -6.503 -5.044 1.00 2.28 H new ATOM 0 HD12 LEU A 190 5.324 -6.122 -3.427 1.00 2.28 H new ATOM 0 HD13 LEU A 190 6.966 -5.607 -3.881 1.00 2.28 H new ATOM 0 HD21 LEU A 190 7.679 -8.216 -5.335 1.00 2.37 H new ATOM 0 HD22 LEU A 190 8.763 -7.385 -4.193 1.00 2.37 H new ATOM 0 HD23 LEU A 190 8.330 -9.091 -3.929 1.00 2.37 H new ATOM 665 N ILE A 191 8.388 -7.914 0.822 1.00 1.81 N ATOM 666 CA ILE A 191 8.294 -7.761 2.262 1.00 1.83 C ATOM 667 C ILE A 191 8.175 -6.292 2.650 1.00 1.70 C ATOM 668 O ILE A 191 8.855 -5.431 2.089 1.00 1.69 O ATOM 669 CB ILE A 191 9.502 -8.394 2.984 1.00 2.08 C ATOM 670 CG1 ILE A 191 10.811 -7.756 2.505 1.00 2.17 C ATOM 671 CG2 ILE A 191 9.514 -9.895 2.738 1.00 2.25 C ATOM 672 CD1 ILE A 191 12.015 -8.150 3.322 1.00 2.42 C ATOM 0 H ILE A 191 9.112 -7.347 0.380 1.00 1.81 H new ATOM 0 HA ILE A 191 7.393 -8.286 2.578 1.00 1.83 H new ATOM 0 HB ILE A 191 9.412 -8.212 4.055 1.00 2.08 H new ATOM 0 HG12 ILE A 191 10.982 -8.036 1.465 1.00 2.17 H new ATOM 0 HG13 ILE A 191 10.706 -6.671 2.530 1.00 2.17 H new ATOM 0 HG21 ILE A 191 10.368 -10.341 3.249 1.00 2.25 H new ATOM 0 HG22 ILE A 191 8.593 -10.334 3.121 1.00 2.25 H new ATOM 0 HG23 ILE A 191 9.590 -10.088 1.668 1.00 2.25 H new ATOM 0 HD11 ILE A 191 12.902 -7.659 2.922 1.00 2.42 H new ATOM 0 HD12 ILE A 191 11.867 -7.845 4.358 1.00 2.42 H new ATOM 0 HD13 ILE A 191 12.147 -9.231 3.277 1.00 2.42 H new ATOM 684 N PRO A 192 7.297 -5.990 3.622 1.00 1.68 N ATOM 685 CA PRO A 192 7.047 -4.617 4.076 1.00 1.62 C ATOM 686 C PRO A 192 8.232 -4.023 4.828 1.00 1.81 C ATOM 687 O PRO A 192 8.245 -2.834 5.140 1.00 1.84 O ATOM 688 CB PRO A 192 5.838 -4.759 5.006 1.00 1.67 C ATOM 689 CG PRO A 192 5.878 -6.173 5.473 1.00 1.84 C ATOM 690 CD PRO A 192 6.468 -6.972 4.346 1.00 1.78 C ATOM 0 HA PRO A 192 6.879 -3.941 3.238 1.00 1.62 H new ATOM 0 HB2 PRO A 192 5.900 -4.064 5.844 1.00 1.67 H new ATOM 0 HB3 PRO A 192 4.908 -4.543 4.481 1.00 1.67 H new ATOM 0 HG2 PRO A 192 6.483 -6.268 6.375 1.00 1.84 H new ATOM 0 HG3 PRO A 192 4.878 -6.529 5.721 1.00 1.84 H new ATOM 0 HD2 PRO A 192 7.065 -7.806 4.715 1.00 1.78 H new ATOM 0 HD3 PRO A 192 5.694 -7.393 3.705 1.00 1.78 H new ATOM 698 N GLU A 193 9.224 -4.859 5.117 1.00 2.01 N ATOM 699 CA GLU A 193 10.433 -4.408 5.795 1.00 2.24 C ATOM 700 C GLU A 193 11.192 -3.420 4.920 1.00 2.20 C ATOM 701 O GLU A 193 11.605 -2.356 5.374 1.00 2.35 O ATOM 702 CB GLU A 193 11.351 -5.590 6.109 1.00 2.47 C ATOM 703 CG GLU A 193 10.680 -6.714 6.876 1.00 2.64 C ATOM 704 CD GLU A 193 11.663 -7.780 7.308 1.00 2.94 C ATOM 705 OE1 GLU A 193 11.770 -8.817 6.623 1.00 3.24 O ATOM 706 OE2 GLU A 193 12.343 -7.580 8.335 1.00 3.32 O ATOM 0 H GLU A 193 9.214 -5.854 4.892 1.00 2.01 H new ATOM 0 HA GLU A 193 10.133 -3.925 6.725 1.00 2.24 H new ATOM 0 HB2 GLU A 193 11.744 -5.988 5.174 1.00 2.47 H new ATOM 0 HB3 GLU A 193 12.203 -5.230 6.686 1.00 2.47 H new ATOM 0 HG2 GLU A 193 10.182 -6.305 7.755 1.00 2.64 H new ATOM 0 HG3 GLU A 193 9.908 -7.166 6.253 1.00 2.64 H new ATOM 713 N CYS A 194 11.349 -3.779 3.656 1.00 2.09 N ATOM 714 CA CYS A 194 12.155 -2.998 2.731 1.00 2.14 C ATOM 715 C CYS A 194 11.279 -2.148 1.820 1.00 1.95 C ATOM 716 O CYS A 194 11.710 -1.724 0.750 1.00 2.06 O ATOM 717 CB CYS A 194 13.024 -3.936 1.889 1.00 2.29 C ATOM 718 SG CYS A 194 14.089 -5.028 2.860 1.00 2.85 S ATOM 0 H CYS A 194 10.926 -4.611 3.245 1.00 2.09 H new ATOM 0 HA CYS A 194 12.791 -2.329 3.310 1.00 2.14 H new ATOM 0 HB2 CYS A 194 12.376 -4.545 1.258 1.00 2.29 H new ATOM 0 HB3 CYS A 194 13.646 -3.338 1.223 1.00 2.29 H new ATOM 0 HG CYS A 194 14.782 -5.783 2.060 1.00 2.85 H new ATOM 724 N CYS A 195 10.053 -1.886 2.245 1.00 1.74 N ATOM 725 CA CYS A 195 9.121 -1.136 1.419 1.00 1.57 C ATOM 726 C CYS A 195 8.494 0.014 2.209 1.00 1.53 C ATOM 727 O CYS A 195 8.345 -0.077 3.425 1.00 1.63 O ATOM 728 CB CYS A 195 8.038 -2.070 0.862 1.00 1.38 C ATOM 729 SG CYS A 195 8.687 -3.439 -0.125 1.00 1.62 S ATOM 0 H CYS A 195 9.683 -2.179 3.149 1.00 1.74 H new ATOM 0 HA CYS A 195 9.671 -0.704 0.583 1.00 1.57 H new ATOM 0 HB2 CYS A 195 7.460 -2.476 1.692 1.00 1.38 H new ATOM 0 HB3 CYS A 195 7.350 -1.488 0.249 1.00 1.38 H new ATOM 0 HG CYS A 195 8.861 -4.478 0.636 1.00 1.62 H new ATOM 735 N ALA A 196 8.161 1.097 1.511 1.00 1.46 N ATOM 736 CA ALA A 196 7.558 2.277 2.130 1.00 1.48 C ATOM 737 C ALA A 196 6.260 2.635 1.441 1.00 1.27 C ATOM 738 O ALA A 196 6.072 2.312 0.285 1.00 1.25 O ATOM 739 CB ALA A 196 8.506 3.465 2.064 1.00 1.73 C ATOM 0 H ALA A 196 8.300 1.182 0.504 1.00 1.46 H new ATOM 0 HA ALA A 196 7.357 2.038 3.174 1.00 1.48 H new ATOM 0 HB1 ALA A 196 8.037 4.331 2.530 1.00 1.73 H new ATOM 0 HB2 ALA A 196 9.429 3.224 2.592 1.00 1.73 H new ATOM 0 HB3 ALA A 196 8.733 3.692 1.022 1.00 1.73 H new ATOM 745 N VAL A 197 5.371 3.324 2.132 1.00 1.22 N ATOM 746 CA VAL A 197 4.078 3.639 1.549 1.00 1.03 C ATOM 747 C VAL A 197 3.899 5.138 1.356 1.00 1.17 C ATOM 748 O VAL A 197 4.062 5.921 2.280 1.00 1.38 O ATOM 749 CB VAL A 197 2.925 3.069 2.397 1.00 0.96 C ATOM 750 CG1 VAL A 197 1.579 3.278 1.716 1.00 1.34 C ATOM 751 CG2 VAL A 197 3.166 1.600 2.663 1.00 1.38 C ATOM 0 H VAL A 197 5.515 3.671 3.080 1.00 1.22 H new ATOM 0 HA VAL A 197 4.050 3.165 0.568 1.00 1.03 H new ATOM 0 HB VAL A 197 2.897 3.605 3.346 1.00 0.96 H new ATOM 0 HG11 VAL A 197 0.787 2.864 2.341 1.00 1.34 H new ATOM 0 HG12 VAL A 197 1.407 4.344 1.570 1.00 1.34 H new ATOM 0 HG13 VAL A 197 1.578 2.775 0.749 1.00 1.34 H new ATOM 0 HG21 VAL A 197 2.349 1.200 3.263 1.00 1.38 H new ATOM 0 HG22 VAL A 197 3.218 1.063 1.716 1.00 1.38 H new ATOM 0 HG23 VAL A 197 4.106 1.477 3.202 1.00 1.38 H new ATOM 761 N TYR A 198 3.597 5.510 0.127 1.00 1.15 N ATOM 762 CA TYR A 198 3.306 6.886 -0.250 1.00 1.34 C ATOM 763 C TYR A 198 1.924 6.973 -0.890 1.00 1.26 C ATOM 764 O TYR A 198 1.355 5.961 -1.302 1.00 1.14 O ATOM 765 CB TYR A 198 4.320 7.379 -1.278 1.00 1.63 C ATOM 766 CG TYR A 198 5.634 7.856 -0.718 1.00 1.72 C ATOM 767 CD1 TYR A 198 5.933 9.205 -0.714 1.00 1.98 C ATOM 768 CD2 TYR A 198 6.586 6.968 -0.239 1.00 1.77 C ATOM 769 CE1 TYR A 198 7.144 9.666 -0.249 1.00 2.34 C ATOM 770 CE2 TYR A 198 7.802 7.419 0.240 1.00 2.18 C ATOM 771 CZ TYR A 198 8.078 8.769 0.230 1.00 2.48 C ATOM 772 OH TYR A 198 9.293 9.224 0.693 1.00 2.99 O ATOM 0 H TYR A 198 3.545 4.855 -0.654 1.00 1.15 H new ATOM 0 HA TYR A 198 3.351 7.497 0.652 1.00 1.34 H new ATOM 0 HB2 TYR A 198 4.518 6.572 -1.983 1.00 1.63 H new ATOM 0 HB3 TYR A 198 3.869 8.194 -1.844 1.00 1.63 H new ATOM 0 HD1 TYR A 198 5.203 9.911 -1.082 1.00 1.98 H new ATOM 0 HD2 TYR A 198 6.374 5.909 -0.240 1.00 1.77 H new ATOM 0 HE1 TYR A 198 7.362 10.724 -0.259 1.00 2.34 H new ATOM 0 HE2 TYR A 198 8.531 6.718 0.619 1.00 2.18 H new ATOM 0 HH TYR A 198 9.833 8.464 0.995 1.00 2.99 H new ATOM 782 N ARG A 199 1.402 8.182 -0.990 1.00 1.43 N ATOM 783 CA ARG A 199 0.180 8.432 -1.745 1.00 1.48 C ATOM 784 C ARG A 199 0.292 9.756 -2.477 1.00 1.74 C ATOM 785 O ARG A 199 0.693 10.763 -1.899 1.00 1.91 O ATOM 786 CB ARG A 199 -1.063 8.411 -0.844 1.00 1.43 C ATOM 787 CG ARG A 199 -0.977 9.336 0.359 1.00 1.49 C ATOM 788 CD ARG A 199 -2.221 9.249 1.231 1.00 1.54 C ATOM 789 NE ARG A 199 -3.406 9.807 0.575 1.00 1.88 N ATOM 790 CZ ARG A 199 -4.042 10.908 0.977 1.00 2.06 C ATOM 791 NH1 ARG A 199 -3.604 11.599 2.025 1.00 2.20 N ATOM 792 NH2 ARG A 199 -5.124 11.313 0.327 1.00 2.64 N ATOM 0 H ARG A 199 1.805 9.013 -0.557 1.00 1.43 H new ATOM 0 HA ARG A 199 0.060 7.629 -2.472 1.00 1.48 H new ATOM 0 HB2 ARG A 199 -1.934 8.687 -1.439 1.00 1.43 H new ATOM 0 HB3 ARG A 199 -1.227 7.392 -0.494 1.00 1.43 H new ATOM 0 HG2 ARG A 199 -0.099 9.080 0.952 1.00 1.49 H new ATOM 0 HG3 ARG A 199 -0.843 10.363 0.019 1.00 1.49 H new ATOM 0 HD2 ARG A 199 -2.409 8.206 1.487 1.00 1.54 H new ATOM 0 HD3 ARG A 199 -2.043 9.780 2.166 1.00 1.54 H new ATOM 0 HE ARG A 199 -3.769 9.321 -0.245 1.00 1.88 H new ATOM 0 HH11 ARG A 199 -2.774 11.288 2.530 1.00 2.20 H new ATOM 0 HH12 ARG A 199 -4.098 12.440 2.324 1.00 2.20 H new ATOM 0 HH21 ARG A 199 -5.465 10.783 -0.475 1.00 2.64 H new ATOM 0 HH22 ARG A 199 -5.615 12.154 0.629 1.00 2.64 H new ATOM 806 N ILE A 200 -0.043 9.745 -3.753 1.00 1.86 N ATOM 807 CA ILE A 200 0.120 10.919 -4.593 1.00 2.14 C ATOM 808 C ILE A 200 -1.142 11.773 -4.574 1.00 2.23 C ATOM 809 O ILE A 200 -2.238 11.296 -4.882 1.00 2.21 O ATOM 810 CB ILE A 200 0.504 10.524 -6.050 1.00 2.31 C ATOM 811 CG1 ILE A 200 2.023 10.337 -6.195 1.00 2.35 C ATOM 812 CG2 ILE A 200 0.021 11.564 -7.052 1.00 2.60 C ATOM 813 CD1 ILE A 200 2.678 9.546 -5.081 1.00 2.31 C ATOM 0 H ILE A 200 -0.431 8.933 -4.233 1.00 1.86 H new ATOM 0 HA ILE A 200 0.940 11.511 -4.186 1.00 2.14 H new ATOM 0 HB ILE A 200 0.010 9.576 -6.263 1.00 2.31 H new ATOM 0 HG12 ILE A 200 2.224 9.837 -7.142 1.00 2.35 H new ATOM 0 HG13 ILE A 200 2.492 11.320 -6.247 1.00 2.35 H new ATOM 0 HG21 ILE A 200 0.305 11.258 -8.059 1.00 2.60 H new ATOM 0 HG22 ILE A 200 -1.064 11.651 -6.992 1.00 2.60 H new ATOM 0 HG23 ILE A 200 0.476 12.528 -6.824 1.00 2.60 H new ATOM 0 HD11 ILE A 200 3.748 9.467 -5.271 1.00 2.31 H new ATOM 0 HD12 ILE A 200 2.515 10.053 -4.130 1.00 2.31 H new ATOM 0 HD13 ILE A 200 2.243 8.548 -5.039 1.00 2.31 H new ATOM 825 N GLN A 201 -0.979 13.026 -4.171 1.00 2.38 N ATOM 826 CA GLN A 201 -2.067 13.986 -4.189 1.00 2.53 C ATOM 827 C GLN A 201 -1.877 14.911 -5.389 1.00 2.80 C ATOM 828 O GLN A 201 -1.505 14.444 -6.457 1.00 2.86 O ATOM 829 CB GLN A 201 -2.115 14.787 -2.878 1.00 2.58 C ATOM 830 CG GLN A 201 -3.490 15.371 -2.579 1.00 2.68 C ATOM 831 CD GLN A 201 -3.529 16.231 -1.329 1.00 2.82 C ATOM 832 OE1 GLN A 201 -4.535 16.260 -0.622 1.00 3.03 O ATOM 833 NE2 GLN A 201 -2.471 16.981 -1.070 1.00 3.22 N ATOM 0 H GLN A 201 -0.095 13.400 -3.826 1.00 2.38 H new ATOM 0 HA GLN A 201 -3.018 13.461 -4.279 1.00 2.53 H new ATOM 0 HB2 GLN A 201 -1.816 14.140 -2.054 1.00 2.58 H new ATOM 0 HB3 GLN A 201 -1.387 15.597 -2.928 1.00 2.58 H new ATOM 0 HG2 GLN A 201 -3.814 15.969 -3.431 1.00 2.68 H new ATOM 0 HG3 GLN A 201 -4.206 14.556 -2.471 1.00 2.68 H new ATOM 0 HE21 GLN A 201 -1.652 16.934 -1.676 1.00 3.22 H new ATOM 0 HE22 GLN A 201 -2.474 17.607 -0.264 1.00 3.22 H new ATOM 842 N ASP A 202 -2.088 16.211 -5.191 1.00 2.99 N ATOM 843 CA ASP A 202 -2.009 17.217 -6.261 1.00 3.26 C ATOM 844 C ASP A 202 -0.644 17.217 -6.952 1.00 3.36 C ATOM 845 O ASP A 202 0.207 18.062 -6.665 1.00 3.48 O ATOM 846 CB ASP A 202 -2.256 18.593 -5.657 1.00 3.44 C ATOM 847 CG ASP A 202 -2.481 19.671 -6.701 1.00 3.72 C ATOM 848 OD1 ASP A 202 -3.649 19.896 -7.080 1.00 3.97 O ATOM 849 OD2 ASP A 202 -1.498 20.310 -7.133 1.00 4.02 O ATOM 0 H ASP A 202 -2.321 16.604 -4.279 1.00 2.99 H new ATOM 0 HA ASP A 202 -2.762 16.972 -7.010 1.00 3.26 H new ATOM 0 HB2 ASP A 202 -3.125 18.544 -5.001 1.00 3.44 H new ATOM 0 HB3 ASP A 202 -1.403 18.869 -5.037 1.00 3.44 H new ATOM 854 N GLY A 203 -0.434 16.257 -7.846 1.00 3.34 N ATOM 855 CA GLY A 203 0.840 16.112 -8.523 1.00 3.46 C ATOM 856 C GLY A 203 1.980 15.854 -7.554 1.00 3.33 C ATOM 857 O GLY A 203 3.151 15.887 -7.936 1.00 3.47 O ATOM 0 H GLY A 203 -1.135 15.568 -8.116 1.00 3.34 H new ATOM 0 HA2 GLY A 203 0.779 15.290 -9.236 1.00 3.46 H new ATOM 0 HA3 GLY A 203 1.050 17.015 -9.096 1.00 3.46 H new ATOM 861 N GLU A 204 1.642 15.591 -6.296 1.00 3.11 N ATOM 862 CA GLU A 204 2.644 15.487 -5.249 1.00 3.04 C ATOM 863 C GLU A 204 2.616 14.117 -4.588 1.00 2.75 C ATOM 864 O GLU A 204 1.794 13.273 -4.915 1.00 2.61 O ATOM 865 CB GLU A 204 2.384 16.555 -4.196 1.00 3.15 C ATOM 866 CG GLU A 204 1.118 16.287 -3.415 1.00 3.02 C ATOM 867 CD GLU A 204 0.768 17.391 -2.449 1.00 3.20 C ATOM 868 OE1 GLU A 204 1.629 17.756 -1.623 1.00 3.45 O ATOM 869 OE2 GLU A 204 -0.378 17.872 -2.487 1.00 3.48 O ATOM 0 H GLU A 204 0.683 15.447 -5.980 1.00 3.11 H new ATOM 0 HA GLU A 204 3.625 15.629 -5.702 1.00 3.04 H new ATOM 0 HB2 GLU A 204 3.230 16.601 -3.510 1.00 3.15 H new ATOM 0 HB3 GLU A 204 2.312 17.530 -4.679 1.00 3.15 H new ATOM 0 HG2 GLU A 204 0.292 16.148 -4.112 1.00 3.02 H new ATOM 0 HG3 GLU A 204 1.230 15.353 -2.864 1.00 3.02 H new ATOM 876 N LYS A 205 3.508 13.933 -3.632 1.00 2.71 N ATOM 877 CA LYS A 205 3.620 12.691 -2.890 1.00 2.46 C ATOM 878 C LYS A 205 3.515 12.952 -1.398 1.00 2.42 C ATOM 879 O LYS A 205 4.100 13.901 -0.878 1.00 2.62 O ATOM 880 CB LYS A 205 4.956 12.017 -3.171 1.00 2.49 C ATOM 881 CG LYS A 205 5.169 11.652 -4.621 1.00 2.61 C ATOM 882 CD LYS A 205 6.575 11.142 -4.868 1.00 2.75 C ATOM 883 CE LYS A 205 6.960 10.047 -3.886 1.00 2.53 C ATOM 884 NZ LYS A 205 8.088 9.223 -4.392 1.00 2.70 N ATOM 0 H LYS A 205 4.179 14.646 -3.347 1.00 2.71 H new ATOM 0 HA LYS A 205 2.806 12.040 -3.209 1.00 2.46 H new ATOM 0 HB2 LYS A 205 5.760 12.681 -2.853 1.00 2.49 H new ATOM 0 HB3 LYS A 205 5.030 11.114 -2.565 1.00 2.49 H new ATOM 0 HG2 LYS A 205 4.448 10.889 -4.914 1.00 2.61 H new ATOM 0 HG3 LYS A 205 4.983 12.524 -5.247 1.00 2.61 H new ATOM 0 HD2 LYS A 205 6.649 10.760 -5.886 1.00 2.75 H new ATOM 0 HD3 LYS A 205 7.281 11.968 -4.786 1.00 2.75 H new ATOM 0 HE2 LYS A 205 7.237 10.495 -2.932 1.00 2.53 H new ATOM 0 HE3 LYS A 205 6.098 9.407 -3.699 1.00 2.53 H new ATOM 0 HZ1 LYS A 205 7.927 8.225 -4.146 1.00 2.70 H new ATOM 0 HZ2 LYS A 205 8.152 9.319 -5.426 1.00 2.70 H new ATOM 0 HZ3 LYS A 205 8.976 9.547 -3.959 1.00 2.70 H new ATOM 898 N LYS A 206 2.775 12.100 -0.728 1.00 2.19 N ATOM 899 CA LYS A 206 2.640 12.146 0.720 1.00 2.19 C ATOM 900 C LYS A 206 3.108 10.821 1.303 1.00 2.01 C ATOM 901 O LYS A 206 2.530 9.779 0.994 1.00 1.82 O ATOM 902 CB LYS A 206 1.180 12.379 1.134 1.00 2.17 C ATOM 903 CG LYS A 206 0.529 13.620 0.540 1.00 2.38 C ATOM 904 CD LYS A 206 1.183 14.902 1.027 1.00 2.68 C ATOM 905 CE LYS A 206 0.303 16.109 0.742 1.00 2.93 C ATOM 906 NZ LYS A 206 0.981 17.389 1.077 1.00 3.25 N ATOM 0 H LYS A 206 2.244 11.349 -1.169 1.00 2.19 H new ATOM 0 HA LYS A 206 3.245 12.971 1.096 1.00 2.19 H new ATOM 0 HB2 LYS A 206 0.593 11.507 0.845 1.00 2.17 H new ATOM 0 HB3 LYS A 206 1.134 12.449 2.221 1.00 2.17 H new ATOM 0 HG2 LYS A 206 0.589 13.574 -0.547 1.00 2.38 H new ATOM 0 HG3 LYS A 206 -0.529 13.633 0.801 1.00 2.38 H new ATOM 0 HD2 LYS A 206 1.374 14.832 2.098 1.00 2.68 H new ATOM 0 HD3 LYS A 206 2.149 15.029 0.539 1.00 2.68 H new ATOM 0 HE2 LYS A 206 0.024 16.112 -0.312 1.00 2.93 H new ATOM 0 HE3 LYS A 206 -0.620 16.027 1.316 1.00 2.93 H new ATOM 0 HZ1 LYS A 206 0.295 18.044 1.504 1.00 3.25 H new ATOM 0 HZ2 LYS A 206 1.752 17.207 1.751 1.00 3.25 H new ATOM 0 HZ3 LYS A 206 1.371 17.813 0.211 1.00 3.25 H new ATOM 920 N PRO A 207 4.165 10.823 2.121 1.00 2.11 N ATOM 921 CA PRO A 207 4.655 9.600 2.754 1.00 2.00 C ATOM 922 C PRO A 207 3.741 9.137 3.880 1.00 1.97 C ATOM 923 O PRO A 207 3.304 9.933 4.715 1.00 2.17 O ATOM 924 CB PRO A 207 6.027 9.996 3.278 1.00 2.22 C ATOM 925 CG PRO A 207 5.940 11.467 3.510 1.00 2.47 C ATOM 926 CD PRO A 207 4.971 12.003 2.488 1.00 2.38 C ATOM 0 HA PRO A 207 4.691 8.758 2.063 1.00 2.00 H new ATOM 0 HB2 PRO A 207 6.267 9.464 4.199 1.00 2.22 H new ATOM 0 HB3 PRO A 207 6.809 9.755 2.558 1.00 2.22 H new ATOM 0 HG2 PRO A 207 5.595 11.681 4.522 1.00 2.47 H new ATOM 0 HG3 PRO A 207 6.918 11.936 3.401 1.00 2.47 H new ATOM 0 HD2 PRO A 207 4.351 12.799 2.902 1.00 2.38 H new ATOM 0 HD3 PRO A 207 5.489 12.419 1.624 1.00 2.38 H new ATOM 934 N ILE A 208 3.442 7.854 3.887 1.00 1.77 N ATOM 935 CA ILE A 208 2.459 7.294 4.799 1.00 1.77 C ATOM 936 C ILE A 208 3.111 6.498 5.929 1.00 1.91 C ATOM 937 O ILE A 208 4.227 5.987 5.794 1.00 1.91 O ATOM 938 CB ILE A 208 1.485 6.396 4.013 1.00 1.50 C ATOM 939 CG1 ILE A 208 0.710 7.240 3.007 1.00 1.41 C ATOM 940 CG2 ILE A 208 0.531 5.664 4.942 1.00 1.59 C ATOM 941 CD1 ILE A 208 0.053 6.427 1.925 1.00 1.18 C ATOM 0 H ILE A 208 3.871 7.170 3.264 1.00 1.77 H new ATOM 0 HA ILE A 208 1.917 8.121 5.258 1.00 1.77 H new ATOM 0 HB ILE A 208 2.065 5.642 3.481 1.00 1.50 H new ATOM 0 HG12 ILE A 208 -0.053 7.812 3.535 1.00 1.41 H new ATOM 0 HG13 ILE A 208 1.388 7.960 2.549 1.00 1.41 H new ATOM 0 HG21 ILE A 208 -0.142 5.040 4.354 1.00 1.59 H new ATOM 0 HG22 ILE A 208 1.101 5.037 5.628 1.00 1.59 H new ATOM 0 HG23 ILE A 208 -0.051 6.389 5.511 1.00 1.59 H new ATOM 0 HD11 ILE A 208 -0.481 7.091 1.245 1.00 1.18 H new ATOM 0 HD12 ILE A 208 0.813 5.875 1.372 1.00 1.18 H new ATOM 0 HD13 ILE A 208 -0.650 5.725 2.373 1.00 1.18 H new ATOM 953 N GLY A 209 2.397 6.415 7.042 1.00 2.07 N ATOM 954 CA GLY A 209 2.847 5.638 8.171 1.00 2.25 C ATOM 955 C GLY A 209 2.169 4.287 8.192 1.00 2.13 C ATOM 956 O GLY A 209 1.038 4.153 7.728 1.00 2.01 O ATOM 0 H GLY A 209 1.500 6.881 7.181 1.00 2.07 H new ATOM 0 HA2 GLY A 209 3.928 5.508 8.122 1.00 2.25 H new ATOM 0 HA3 GLY A 209 2.632 6.173 9.096 1.00 2.25 H new ATOM 960 N TRP A 210 2.833 3.292 8.745 1.00 2.20 N ATOM 961 CA TRP A 210 2.350 1.920 8.666 1.00 2.11 C ATOM 962 C TRP A 210 1.171 1.657 9.597 1.00 2.30 C ATOM 963 O TRP A 210 0.491 0.639 9.466 1.00 2.25 O ATOM 964 CB TRP A 210 3.487 0.945 8.951 1.00 2.18 C ATOM 965 CG TRP A 210 4.481 0.873 7.836 1.00 1.97 C ATOM 966 CD1 TRP A 210 5.670 1.533 7.749 1.00 2.05 C ATOM 967 CD2 TRP A 210 4.359 0.104 6.638 1.00 1.69 C ATOM 968 NE1 TRP A 210 6.302 1.211 6.572 1.00 1.86 N ATOM 969 CE2 TRP A 210 5.515 0.334 5.873 1.00 1.62 C ATOM 970 CE3 TRP A 210 3.386 -0.763 6.142 1.00 1.54 C ATOM 971 CZ2 TRP A 210 5.720 -0.273 4.637 1.00 1.40 C ATOM 972 CZ3 TRP A 210 3.589 -1.364 4.916 1.00 1.31 C ATOM 973 CH2 TRP A 210 4.750 -1.118 4.175 1.00 1.24 C ATOM 0 H TRP A 210 3.709 3.404 9.255 1.00 2.20 H new ATOM 0 HA TRP A 210 1.987 1.765 7.650 1.00 2.11 H new ATOM 0 HB2 TRP A 210 3.996 1.245 9.867 1.00 2.18 H new ATOM 0 HB3 TRP A 210 3.073 -0.048 9.127 1.00 2.18 H new ATOM 0 HD1 TRP A 210 6.059 2.210 8.496 1.00 2.05 H new ATOM 0 HE1 TRP A 210 7.209 1.567 6.268 1.00 1.86 H new ATOM 0 HE3 TRP A 210 2.488 -0.961 6.708 1.00 1.54 H new ATOM 0 HZ2 TRP A 210 6.615 -0.083 4.063 1.00 1.40 H new ATOM 0 HZ3 TRP A 210 2.840 -2.035 4.522 1.00 1.31 H new ATOM 0 HH2 TRP A 210 4.882 -1.605 3.220 1.00 1.24 H new ATOM 984 N ASP A 211 0.911 2.571 10.522 1.00 2.54 N ATOM 985 CA ASP A 211 -0.200 2.397 11.452 1.00 2.76 C ATOM 986 C ASP A 211 -1.387 3.247 11.041 1.00 2.71 C ATOM 987 O ASP A 211 -2.363 3.377 11.779 1.00 2.92 O ATOM 988 CB ASP A 211 0.195 2.716 12.896 1.00 3.09 C ATOM 989 CG ASP A 211 0.708 4.130 13.075 1.00 3.39 C ATOM 990 OD1 ASP A 211 -0.115 5.067 13.167 1.00 3.79 O ATOM 991 OD2 ASP A 211 1.941 4.316 13.122 1.00 3.79 O ATOM 0 H ASP A 211 1.445 3.430 10.649 1.00 2.54 H new ATOM 0 HA ASP A 211 -0.481 1.345 11.410 1.00 2.76 H new ATOM 0 HB2 ASP A 211 -0.668 2.565 13.544 1.00 3.09 H new ATOM 0 HB3 ASP A 211 0.963 2.014 13.219 1.00 3.09 H new ATOM 996 N THR A 212 -1.297 3.821 9.856 1.00 2.44 N ATOM 997 CA THR A 212 -2.397 4.568 9.290 1.00 2.39 C ATOM 998 C THR A 212 -3.519 3.607 8.917 1.00 2.29 C ATOM 999 O THR A 212 -3.264 2.519 8.402 1.00 2.10 O ATOM 1000 CB THR A 212 -1.929 5.357 8.048 1.00 2.18 C ATOM 1001 OG1 THR A 212 -0.979 6.358 8.437 1.00 2.33 O ATOM 1002 CG2 THR A 212 -3.095 6.014 7.321 1.00 2.12 C ATOM 0 H THR A 212 -0.466 3.782 9.266 1.00 2.44 H new ATOM 0 HA THR A 212 -2.765 5.282 10.027 1.00 2.39 H new ATOM 0 HB THR A 212 -1.464 4.649 7.363 1.00 2.18 H new ATOM 0 HG1 THR A 212 -0.071 6.001 8.345 1.00 2.33 H new ATOM 0 HG21 THR A 212 -2.722 6.559 6.454 1.00 2.12 H new ATOM 0 HG22 THR A 212 -3.798 5.248 6.994 1.00 2.12 H new ATOM 0 HG23 THR A 212 -3.600 6.706 7.995 1.00 2.12 H new ATOM 1010 N ASP A 213 -4.747 3.977 9.224 1.00 2.46 N ATOM 1011 CA ASP A 213 -5.886 3.158 8.852 1.00 2.43 C ATOM 1012 C ASP A 213 -6.078 3.197 7.346 1.00 2.14 C ATOM 1013 O ASP A 213 -6.505 4.208 6.787 1.00 2.12 O ATOM 1014 CB ASP A 213 -7.158 3.625 9.564 1.00 2.70 C ATOM 1015 CG ASP A 213 -7.154 3.287 11.041 1.00 3.00 C ATOM 1016 OD1 ASP A 213 -6.434 3.961 11.810 1.00 3.38 O ATOM 1017 OD2 ASP A 213 -7.875 2.351 11.442 1.00 3.47 O ATOM 0 H ASP A 213 -4.982 4.833 9.726 1.00 2.46 H new ATOM 0 HA ASP A 213 -5.688 2.132 9.162 1.00 2.43 H new ATOM 0 HB2 ASP A 213 -7.264 4.703 9.442 1.00 2.70 H new ATOM 0 HB3 ASP A 213 -8.025 3.164 9.091 1.00 2.70 H new ATOM 1022 N ILE A 214 -5.738 2.088 6.695 1.00 1.95 N ATOM 1023 CA ILE A 214 -5.856 1.963 5.243 1.00 1.68 C ATOM 1024 C ILE A 214 -7.299 2.185 4.783 1.00 1.75 C ATOM 1025 O ILE A 214 -7.554 2.501 3.620 1.00 1.61 O ATOM 1026 CB ILE A 214 -5.326 0.589 4.758 1.00 1.51 C ATOM 1027 CG1 ILE A 214 -5.695 0.325 3.296 1.00 1.27 C ATOM 1028 CG2 ILE A 214 -5.830 -0.524 5.644 1.00 1.71 C ATOM 1029 CD1 ILE A 214 -5.439 -1.099 2.857 1.00 1.17 C ATOM 0 H ILE A 214 -5.374 1.254 7.155 1.00 1.95 H new ATOM 0 HA ILE A 214 -5.239 2.741 4.793 1.00 1.68 H new ATOM 0 HB ILE A 214 -4.238 0.617 4.823 1.00 1.51 H new ATOM 0 HG12 ILE A 214 -6.749 0.559 3.148 1.00 1.27 H new ATOM 0 HG13 ILE A 214 -5.126 1.001 2.658 1.00 1.27 H new ATOM 0 HG21 ILE A 214 -5.445 -1.478 5.284 1.00 1.71 H new ATOM 0 HG22 ILE A 214 -5.490 -0.358 6.666 1.00 1.71 H new ATOM 0 HG23 ILE A 214 -6.920 -0.541 5.623 1.00 1.71 H new ATOM 0 HD11 ILE A 214 -5.723 -1.214 1.811 1.00 1.17 H new ATOM 0 HD12 ILE A 214 -4.380 -1.331 2.973 1.00 1.17 H new ATOM 0 HD13 ILE A 214 -6.029 -1.780 3.470 1.00 1.17 H new ATOM 1041 N SER A 215 -8.232 2.078 5.718 1.00 2.01 N ATOM 1042 CA SER A 215 -9.640 2.276 5.430 1.00 2.14 C ATOM 1043 C SER A 215 -9.948 3.727 5.041 1.00 2.17 C ATOM 1044 O SER A 215 -11.063 4.039 4.620 1.00 2.27 O ATOM 1045 CB SER A 215 -10.469 1.859 6.640 1.00 2.43 C ATOM 1046 OG SER A 215 -9.888 2.344 7.842 1.00 2.91 O ATOM 0 H SER A 215 -8.033 1.852 6.693 1.00 2.01 H new ATOM 0 HA SER A 215 -9.902 1.654 4.574 1.00 2.14 H new ATOM 0 HB2 SER A 215 -11.484 2.243 6.541 1.00 2.43 H new ATOM 0 HB3 SER A 215 -10.542 0.772 6.679 1.00 2.43 H new ATOM 0 HG SER A 215 -10.436 2.067 8.605 1.00 2.91 H new ATOM 1052 N TRP A 216 -8.968 4.617 5.191 1.00 2.14 N ATOM 1053 CA TRP A 216 -9.138 6.004 4.791 1.00 2.20 C ATOM 1054 C TRP A 216 -8.710 6.201 3.344 1.00 1.97 C ATOM 1055 O TRP A 216 -9.291 7.005 2.614 1.00 2.05 O ATOM 1056 CB TRP A 216 -8.322 6.939 5.688 1.00 2.34 C ATOM 1057 CG TRP A 216 -8.780 6.978 7.112 1.00 2.73 C ATOM 1058 CD1 TRP A 216 -10.068 6.961 7.562 1.00 3.17 C ATOM 1059 CD2 TRP A 216 -7.948 7.067 8.274 1.00 3.19 C ATOM 1060 NE1 TRP A 216 -10.086 7.027 8.934 1.00 3.82 N ATOM 1061 CE2 TRP A 216 -8.797 7.093 9.394 1.00 3.89 C ATOM 1062 CE3 TRP A 216 -6.565 7.124 8.476 1.00 3.35 C ATOM 1063 CZ2 TRP A 216 -8.312 7.174 10.696 1.00 4.68 C ATOM 1064 CZ3 TRP A 216 -6.084 7.204 9.768 1.00 4.17 C ATOM 1065 CH2 TRP A 216 -6.955 7.229 10.864 1.00 4.80 C ATOM 0 H TRP A 216 -8.053 4.399 5.586 1.00 2.14 H new ATOM 0 HA TRP A 216 -10.196 6.247 4.893 1.00 2.20 H new ATOM 0 HB2 TRP A 216 -7.278 6.628 5.663 1.00 2.34 H new ATOM 0 HB3 TRP A 216 -8.365 7.948 5.277 1.00 2.34 H new ATOM 0 HD1 TRP A 216 -10.944 6.904 6.933 1.00 3.17 H new ATOM 0 HE1 TRP A 216 -10.924 7.027 9.516 1.00 3.82 H new ATOM 0 HE3 TRP A 216 -5.886 7.106 7.637 1.00 3.35 H new ATOM 0 HZ2 TRP A 216 -8.982 7.193 11.543 1.00 4.68 H new ATOM 0 HZ3 TRP A 216 -5.018 7.248 9.936 1.00 4.17 H new ATOM 0 HH2 TRP A 216 -6.548 7.293 11.862 1.00 4.80 H new ATOM 1076 N LEU A 217 -7.691 5.460 2.932 1.00 1.74 N ATOM 1077 CA LEU A 217 -7.095 5.640 1.625 1.00 1.56 C ATOM 1078 C LEU A 217 -7.829 4.846 0.545 1.00 1.52 C ATOM 1079 O LEU A 217 -7.312 4.675 -0.558 1.00 1.41 O ATOM 1080 CB LEU A 217 -5.619 5.226 1.662 1.00 1.37 C ATOM 1081 CG LEU A 217 -4.753 5.900 2.730 1.00 1.49 C ATOM 1082 CD1 LEU A 217 -5.058 7.374 2.783 1.00 2.13 C ATOM 1083 CD2 LEU A 217 -4.917 5.263 4.103 1.00 1.78 C ATOM 0 H LEU A 217 -7.260 4.724 3.492 1.00 1.74 H new ATOM 0 HA LEU A 217 -7.177 6.697 1.370 1.00 1.56 H new ATOM 0 HB2 LEU A 217 -5.570 4.147 1.812 1.00 1.37 H new ATOM 0 HB3 LEU A 217 -5.181 5.433 0.686 1.00 1.37 H new ATOM 0 HG LEU A 217 -3.711 5.757 2.445 1.00 1.49 H new ATOM 0 HD11 LEU A 217 -4.438 7.847 3.545 1.00 2.13 H new ATOM 0 HD12 LEU A 217 -4.847 7.824 1.813 1.00 2.13 H new ATOM 0 HD13 LEU A 217 -6.110 7.519 3.029 1.00 2.13 H new ATOM 0 HD21 LEU A 217 -4.281 5.779 4.822 1.00 1.78 H new ATOM 0 HD22 LEU A 217 -5.958 5.340 4.418 1.00 1.78 H new ATOM 0 HD23 LEU A 217 -4.630 4.213 4.053 1.00 1.78 H new ATOM 1095 N THR A 218 -9.025 4.357 0.867 1.00 1.67 N ATOM 1096 CA THR A 218 -9.847 3.640 -0.101 1.00 1.73 C ATOM 1097 C THR A 218 -10.022 4.437 -1.389 1.00 1.80 C ATOM 1098 O THR A 218 -10.023 5.672 -1.381 1.00 1.87 O ATOM 1099 CB THR A 218 -11.239 3.352 0.458 1.00 1.96 C ATOM 1100 OG1 THR A 218 -11.156 3.053 1.856 1.00 2.01 O ATOM 1101 CG2 THR A 218 -11.882 2.188 -0.276 1.00 2.03 C ATOM 0 H THR A 218 -9.445 4.445 1.792 1.00 1.67 H new ATOM 0 HA THR A 218 -9.324 2.707 -0.310 1.00 1.73 H new ATOM 0 HB THR A 218 -11.855 4.240 0.315 1.00 1.96 H new ATOM 0 HG1 THR A 218 -11.263 3.878 2.374 1.00 2.01 H new ATOM 0 HG21 THR A 218 -12.873 2.000 0.138 1.00 2.03 H new ATOM 0 HG22 THR A 218 -11.971 2.430 -1.335 1.00 2.03 H new ATOM 0 HG23 THR A 218 -11.264 1.298 -0.158 1.00 2.03 H new ATOM 1109 N GLY A 219 -10.179 3.718 -2.485 1.00 1.85 N ATOM 1110 CA GLY A 219 -10.355 4.341 -3.785 1.00 2.01 C ATOM 1111 C GLY A 219 -9.055 4.826 -4.396 1.00 1.92 C ATOM 1112 O GLY A 219 -8.891 4.811 -5.618 1.00 2.12 O ATOM 0 H GLY A 219 -10.188 2.698 -2.501 1.00 1.85 H new ATOM 0 HA2 GLY A 219 -10.823 3.627 -4.462 1.00 2.01 H new ATOM 0 HA3 GLY A 219 -11.040 5.184 -3.687 1.00 2.01 H new ATOM 1116 N GLU A 220 -8.126 5.232 -3.551 1.00 1.70 N ATOM 1117 CA GLU A 220 -6.886 5.831 -4.007 1.00 1.64 C ATOM 1118 C GLU A 220 -5.901 4.783 -4.486 1.00 1.53 C ATOM 1119 O GLU A 220 -6.045 3.586 -4.212 1.00 1.46 O ATOM 1120 CB GLU A 220 -6.250 6.657 -2.887 1.00 1.55 C ATOM 1121 CG GLU A 220 -6.973 7.959 -2.604 1.00 1.91 C ATOM 1122 CD GLU A 220 -6.360 8.727 -1.454 1.00 2.14 C ATOM 1123 OE1 GLU A 220 -5.186 9.151 -1.563 1.00 2.60 O ATOM 1124 OE2 GLU A 220 -7.060 8.936 -0.440 1.00 2.61 O ATOM 0 H GLU A 220 -8.208 5.157 -2.537 1.00 1.70 H new ATOM 0 HA GLU A 220 -7.129 6.481 -4.848 1.00 1.64 H new ATOM 0 HB2 GLU A 220 -6.226 6.059 -1.976 1.00 1.55 H new ATOM 0 HB3 GLU A 220 -5.216 6.876 -3.152 1.00 1.55 H new ATOM 0 HG2 GLU A 220 -6.959 8.580 -3.500 1.00 1.91 H new ATOM 0 HG3 GLU A 220 -8.018 7.748 -2.379 1.00 1.91 H new ATOM 1131 N GLU A 221 -4.914 5.245 -5.227 1.00 1.59 N ATOM 1132 CA GLU A 221 -3.801 4.418 -5.621 1.00 1.54 C ATOM 1133 C GLU A 221 -2.593 4.807 -4.799 1.00 1.38 C ATOM 1134 O GLU A 221 -2.084 5.921 -4.910 1.00 1.49 O ATOM 1135 CB GLU A 221 -3.490 4.587 -7.104 1.00 1.83 C ATOM 1136 CG GLU A 221 -4.600 4.114 -8.021 1.00 2.05 C ATOM 1137 CD GLU A 221 -4.500 4.712 -9.406 1.00 2.55 C ATOM 1138 OE1 GLU A 221 -5.260 5.656 -9.706 1.00 3.04 O ATOM 1139 OE2 GLU A 221 -3.658 4.251 -10.204 1.00 3.06 O ATOM 0 H GLU A 221 -4.865 6.204 -5.571 1.00 1.59 H new ATOM 0 HA GLU A 221 -4.057 3.373 -5.448 1.00 1.54 H new ATOM 0 HB2 GLU A 221 -3.289 5.639 -7.306 1.00 1.83 H new ATOM 0 HB3 GLU A 221 -2.579 4.037 -7.339 1.00 1.83 H new ATOM 0 HG2 GLU A 221 -4.568 3.027 -8.095 1.00 2.05 H new ATOM 0 HG3 GLU A 221 -5.564 4.375 -7.584 1.00 2.05 H new ATOM 1146 N LEU A 222 -2.134 3.896 -3.982 1.00 1.15 N ATOM 1147 CA LEU A 222 -0.986 4.161 -3.140 1.00 1.01 C ATOM 1148 C LEU A 222 0.259 3.677 -3.847 1.00 1.13 C ATOM 1149 O LEU A 222 0.179 2.831 -4.724 1.00 1.30 O ATOM 1150 CB LEU A 222 -1.133 3.476 -1.775 1.00 0.74 C ATOM 1151 CG LEU A 222 -1.704 4.354 -0.657 1.00 0.82 C ATOM 1152 CD1 LEU A 222 -2.983 5.052 -1.097 1.00 1.27 C ATOM 1153 CD2 LEU A 222 -1.961 3.511 0.580 1.00 1.24 C ATOM 0 H LEU A 222 -2.533 2.963 -3.878 1.00 1.15 H new ATOM 0 HA LEU A 222 -0.913 5.234 -2.960 1.00 1.01 H new ATOM 0 HB2 LEU A 222 -1.776 2.604 -1.893 1.00 0.74 H new ATOM 0 HB3 LEU A 222 -0.154 3.111 -1.463 1.00 0.74 H new ATOM 0 HG LEU A 222 -0.971 5.125 -0.422 1.00 0.82 H new ATOM 0 HD11 LEU A 222 -3.362 5.667 -0.280 1.00 1.27 H new ATOM 0 HD12 LEU A 222 -2.774 5.684 -1.960 1.00 1.27 H new ATOM 0 HD13 LEU A 222 -3.731 4.306 -1.366 1.00 1.27 H new ATOM 0 HD21 LEU A 222 -2.367 4.141 1.372 1.00 1.24 H new ATOM 0 HD22 LEU A 222 -2.675 2.723 0.341 1.00 1.24 H new ATOM 0 HD23 LEU A 222 -1.026 3.064 0.916 1.00 1.24 H new ATOM 1165 N HIS A 223 1.396 4.238 -3.506 1.00 1.13 N ATOM 1166 CA HIS A 223 2.635 3.880 -4.173 1.00 1.30 C ATOM 1167 C HIS A 223 3.661 3.460 -3.146 1.00 1.19 C ATOM 1168 O HIS A 223 4.011 4.234 -2.263 1.00 1.19 O ATOM 1169 CB HIS A 223 3.169 5.052 -5.005 1.00 1.64 C ATOM 1170 CG HIS A 223 2.253 5.460 -6.118 1.00 1.93 C ATOM 1171 ND1 HIS A 223 2.302 4.900 -7.376 1.00 2.62 N ATOM 1172 CD2 HIS A 223 1.242 6.362 -6.150 1.00 2.09 C ATOM 1173 CE1 HIS A 223 1.362 5.434 -8.129 1.00 3.31 C ATOM 1174 NE2 HIS A 223 0.704 6.324 -7.410 1.00 2.97 N ATOM 0 H HIS A 223 1.493 4.942 -2.774 1.00 1.13 H new ATOM 0 HA HIS A 223 2.438 3.048 -4.850 1.00 1.30 H new ATOM 0 HB2 HIS A 223 3.335 5.907 -4.350 1.00 1.64 H new ATOM 0 HB3 HIS A 223 4.138 4.779 -5.424 1.00 1.64 H new ATOM 0 HD2 HIS A 223 0.920 6.993 -5.335 1.00 2.09 H new ATOM 0 HE1 HIS A 223 1.163 5.185 -9.161 1.00 3.31 H new ATOM 0 HE2 HIS A 223 -0.078 6.891 -7.739 1.00 2.97 H new ATOM 1183 N VAL A 224 4.129 2.238 -3.256 1.00 1.19 N ATOM 1184 CA VAL A 224 5.090 1.712 -2.315 1.00 1.14 C ATOM 1185 C VAL A 224 6.484 1.765 -2.907 1.00 1.40 C ATOM 1186 O VAL A 224 6.710 1.373 -4.052 1.00 1.58 O ATOM 1187 CB VAL A 224 4.743 0.271 -1.880 1.00 1.02 C ATOM 1188 CG1 VAL A 224 5.836 -0.326 -1.003 1.00 1.23 C ATOM 1189 CG2 VAL A 224 3.431 0.264 -1.127 1.00 1.10 C ATOM 0 H VAL A 224 3.858 1.587 -3.992 1.00 1.19 H new ATOM 0 HA VAL A 224 5.055 2.338 -1.423 1.00 1.14 H new ATOM 0 HB VAL A 224 4.658 -0.338 -2.780 1.00 1.02 H new ATOM 0 HG11 VAL A 224 5.559 -1.340 -0.716 1.00 1.23 H new ATOM 0 HG12 VAL A 224 6.774 -0.350 -1.557 1.00 1.23 H new ATOM 0 HG13 VAL A 224 5.958 0.284 -0.108 1.00 1.23 H new ATOM 0 HG21 VAL A 224 3.192 -0.755 -0.823 1.00 1.10 H new ATOM 0 HG22 VAL A 224 3.515 0.896 -0.243 1.00 1.10 H new ATOM 0 HG23 VAL A 224 2.639 0.646 -1.772 1.00 1.10 H new ATOM 1199 N GLU A 225 7.406 2.240 -2.100 1.00 1.47 N ATOM 1200 CA GLU A 225 8.762 2.491 -2.524 1.00 1.74 C ATOM 1201 C GLU A 225 9.656 1.441 -1.925 1.00 1.75 C ATOM 1202 O GLU A 225 9.291 0.791 -0.950 1.00 1.70 O ATOM 1203 CB GLU A 225 9.202 3.871 -2.046 1.00 1.91 C ATOM 1204 CG GLU A 225 8.167 4.953 -2.284 1.00 1.95 C ATOM 1205 CD GLU A 225 8.099 5.426 -3.723 1.00 2.31 C ATOM 1206 OE1 GLU A 225 7.920 4.592 -4.634 1.00 2.72 O ATOM 1207 OE2 GLU A 225 8.230 6.647 -3.950 1.00 2.74 O ATOM 0 H GLU A 225 7.232 2.465 -1.120 1.00 1.47 H new ATOM 0 HA GLU A 225 8.823 2.456 -3.612 1.00 1.74 H new ATOM 0 HB2 GLU A 225 9.427 3.823 -0.981 1.00 1.91 H new ATOM 0 HB3 GLU A 225 10.126 4.145 -2.555 1.00 1.91 H new ATOM 0 HG2 GLU A 225 7.187 4.578 -1.988 1.00 1.95 H new ATOM 0 HG3 GLU A 225 8.390 5.805 -1.641 1.00 1.95 H new ATOM 1214 N VAL A 226 10.809 1.262 -2.504 1.00 1.95 N ATOM 1215 CA VAL A 226 11.718 0.266 -2.008 1.00 2.02 C ATOM 1216 C VAL A 226 12.856 0.916 -1.240 1.00 2.19 C ATOM 1217 O VAL A 226 13.717 1.600 -1.796 1.00 2.37 O ATOM 1218 CB VAL A 226 12.224 -0.658 -3.130 1.00 2.21 C ATOM 1219 CG1 VAL A 226 13.045 0.080 -4.179 1.00 2.61 C ATOM 1220 CG2 VAL A 226 12.984 -1.825 -2.542 1.00 2.56 C ATOM 0 H VAL A 226 11.141 1.787 -3.313 1.00 1.95 H new ATOM 0 HA VAL A 226 11.173 -0.372 -1.312 1.00 2.02 H new ATOM 0 HB VAL A 226 11.350 -1.042 -3.656 1.00 2.21 H new ATOM 0 HG11 VAL A 226 13.374 -0.623 -4.944 1.00 2.61 H new ATOM 0 HG12 VAL A 226 12.434 0.857 -4.639 1.00 2.61 H new ATOM 0 HG13 VAL A 226 13.915 0.535 -3.706 1.00 2.61 H new ATOM 0 HG21 VAL A 226 13.337 -2.471 -3.346 1.00 2.56 H new ATOM 0 HG22 VAL A 226 13.837 -1.454 -1.973 1.00 2.56 H new ATOM 0 HG23 VAL A 226 12.327 -2.392 -1.882 1.00 2.56 H new ATOM 1230 N LEU A 227 12.815 0.719 0.060 1.00 2.19 N ATOM 1231 CA LEU A 227 13.762 1.323 0.969 1.00 2.40 C ATOM 1232 C LEU A 227 15.085 0.575 0.954 1.00 2.69 C ATOM 1233 O LEU A 227 15.354 -0.254 1.826 1.00 2.86 O ATOM 1234 CB LEU A 227 13.163 1.303 2.363 1.00 2.48 C ATOM 1235 CG LEU A 227 11.882 2.113 2.526 1.00 2.38 C ATOM 1236 CD1 LEU A 227 11.087 1.565 3.689 1.00 2.74 C ATOM 1237 CD2 LEU A 227 12.195 3.588 2.732 1.00 2.55 C ATOM 0 H LEU A 227 12.119 0.131 0.518 1.00 2.19 H new ATOM 0 HA LEU A 227 13.962 2.349 0.658 1.00 2.40 H new ATOM 0 HB2 LEU A 227 12.958 0.269 2.639 1.00 2.48 H new ATOM 0 HB3 LEU A 227 13.905 1.680 3.066 1.00 2.48 H new ATOM 0 HG LEU A 227 11.289 2.027 1.616 1.00 2.38 H new ATOM 0 HD11 LEU A 227 10.170 2.143 3.808 1.00 2.74 H new ATOM 0 HD12 LEU A 227 10.836 0.521 3.499 1.00 2.74 H new ATOM 0 HD13 LEU A 227 11.680 1.635 4.601 1.00 2.74 H new ATOM 0 HD21 LEU A 227 11.265 4.145 2.846 1.00 2.55 H new ATOM 0 HD22 LEU A 227 12.803 3.709 3.629 1.00 2.55 H new ATOM 0 HD23 LEU A 227 12.742 3.968 1.869 1.00 2.55 H new ATOM 1249 N GLU A 228 15.903 0.870 -0.039 1.00 2.89 N ATOM 1250 CA GLU A 228 17.213 0.258 -0.150 1.00 3.28 C ATOM 1251 C GLU A 228 18.196 0.995 0.747 1.00 3.62 C ATOM 1252 O GLU A 228 18.749 2.028 0.371 1.00 3.77 O ATOM 1253 CB GLU A 228 17.682 0.295 -1.602 1.00 3.52 C ATOM 1254 CG GLU A 228 16.711 -0.376 -2.559 1.00 3.43 C ATOM 1255 CD GLU A 228 17.083 -0.166 -4.008 1.00 3.89 C ATOM 1256 OE1 GLU A 228 17.683 -1.078 -4.610 1.00 4.27 O ATOM 1257 OE2 GLU A 228 16.781 0.916 -4.552 1.00 4.21 O ATOM 0 H GLU A 228 15.682 1.532 -0.783 1.00 2.89 H new ATOM 0 HA GLU A 228 17.157 -0.783 0.169 1.00 3.28 H new ATOM 0 HB2 GLU A 228 17.824 1.332 -1.906 1.00 3.52 H new ATOM 0 HB3 GLU A 228 18.653 -0.194 -1.677 1.00 3.52 H new ATOM 0 HG2 GLU A 228 16.679 -1.445 -2.347 1.00 3.43 H new ATOM 0 HG3 GLU A 228 15.708 0.014 -2.385 1.00 3.43 H new ATOM 1264 N ASN A 229 18.409 0.459 1.937 1.00 3.90 N ATOM 1265 CA ASN A 229 19.264 1.105 2.918 1.00 4.35 C ATOM 1266 C ASN A 229 20.506 0.275 3.169 1.00 4.71 C ATOM 1267 O ASN A 229 20.743 -0.186 4.288 1.00 5.25 O ATOM 1268 CB ASN A 229 18.503 1.348 4.226 1.00 4.89 C ATOM 1269 CG ASN A 229 17.405 2.386 4.079 1.00 5.38 C ATOM 1270 OD1 ASN A 229 16.357 2.292 4.721 1.00 6.02 O ATOM 1271 ND2 ASN A 229 17.638 3.391 3.247 1.00 5.46 N ATOM 0 H ASN A 229 18.001 -0.423 2.247 1.00 3.90 H new ATOM 0 HA ASN A 229 19.571 2.072 2.519 1.00 4.35 H new ATOM 0 HB2 ASN A 229 18.067 0.409 4.568 1.00 4.89 H new ATOM 0 HB3 ASN A 229 19.204 1.673 4.995 1.00 4.89 H new ATOM 0 HD21 ASN A 229 16.937 4.121 3.121 1.00 5.46 H new ATOM 0 HD22 ASN A 229 18.518 3.434 2.733 1.00 5.46 H new ATOM 1278 N VAL A 230 21.278 0.094 2.091 1.00 4.84 N ATOM 1279 CA VAL A 230 22.530 -0.672 2.094 1.00 5.65 C ATOM 1280 C VAL A 230 22.463 -1.922 2.977 1.00 6.11 C ATOM 1281 O VAL A 230 23.106 -1.993 4.024 1.00 6.23 O ATOM 1282 CB VAL A 230 23.762 0.196 2.476 1.00 6.17 C ATOM 1283 CG1 VAL A 230 24.137 1.111 1.322 1.00 6.18 C ATOM 1284 CG2 VAL A 230 23.512 1.026 3.729 1.00 6.20 C ATOM 0 H VAL A 230 21.046 0.482 1.177 1.00 4.84 H new ATOM 0 HA VAL A 230 22.661 -1.004 1.064 1.00 5.65 H new ATOM 0 HB VAL A 230 24.585 -0.486 2.688 1.00 6.17 H new ATOM 0 HG11 VAL A 230 25.001 1.714 1.602 1.00 6.18 H new ATOM 0 HG12 VAL A 230 24.382 0.510 0.446 1.00 6.18 H new ATOM 0 HG13 VAL A 230 23.297 1.766 1.090 1.00 6.18 H new ATOM 0 HG21 VAL A 230 24.400 1.616 3.958 1.00 6.20 H new ATOM 0 HG22 VAL A 230 22.666 1.693 3.561 1.00 6.20 H new ATOM 0 HG23 VAL A 230 23.291 0.364 4.566 1.00 6.20 H new ATOM 1294 N PRO A 231 21.689 -2.938 2.552 1.00 6.66 N ATOM 1295 CA PRO A 231 21.544 -4.188 3.305 1.00 7.30 C ATOM 1296 C PRO A 231 22.873 -4.921 3.441 1.00 7.91 C ATOM 1297 O PRO A 231 23.736 -4.825 2.567 1.00 8.56 O ATOM 1298 CB PRO A 231 20.557 -5.012 2.467 1.00 7.94 C ATOM 1299 CG PRO A 231 20.617 -4.415 1.103 1.00 7.85 C ATOM 1300 CD PRO A 231 20.907 -2.956 1.305 1.00 6.99 C ATOM 0 HA PRO A 231 21.199 -4.014 4.324 1.00 7.30 H new ATOM 0 HB2 PRO A 231 20.837 -6.065 2.450 1.00 7.94 H new ATOM 0 HB3 PRO A 231 19.549 -4.957 2.878 1.00 7.94 H new ATOM 0 HG2 PRO A 231 21.394 -4.888 0.503 1.00 7.85 H new ATOM 0 HG3 PRO A 231 19.675 -4.556 0.573 1.00 7.85 H new ATOM 0 HD2 PRO A 231 21.470 -2.538 0.471 1.00 6.99 H new ATOM 0 HD3 PRO A 231 19.991 -2.372 1.396 1.00 6.99 H new ATOM 1308 N LEU A 232 23.040 -5.639 4.541 1.00 7.96 N ATOM 1309 CA LEU A 232 24.272 -6.370 4.792 1.00 8.80 C ATOM 1310 C LEU A 232 24.329 -7.615 3.919 1.00 9.24 C ATOM 1311 O LEU A 232 25.063 -7.603 2.909 1.00 9.53 O ATOM 1312 CB LEU A 232 24.402 -6.756 6.273 1.00 9.17 C ATOM 1313 CG LEU A 232 24.662 -5.602 7.253 1.00 9.63 C ATOM 1314 CD1 LEU A 232 25.822 -4.741 6.780 1.00 10.10 C ATOM 1315 CD2 LEU A 232 23.413 -4.754 7.454 1.00 10.02 C ATOM 1316 OXT LEU A 232 23.619 -8.592 4.229 1.00 9.52 O ATOM 0 H LEU A 232 22.337 -5.731 5.274 1.00 7.96 H new ATOM 0 HA LEU A 232 25.108 -5.717 4.541 1.00 8.80 H new ATOM 0 HB2 LEU A 232 23.487 -7.264 6.577 1.00 9.17 H new ATOM 0 HB3 LEU A 232 25.214 -7.477 6.369 1.00 9.17 H new ATOM 0 HG LEU A 232 24.928 -6.040 8.215 1.00 9.63 H new ATOM 0 HD11 LEU A 232 25.987 -3.931 7.490 1.00 10.10 H new ATOM 0 HD12 LEU A 232 26.723 -5.351 6.710 1.00 10.10 H new ATOM 0 HD13 LEU A 232 25.589 -4.323 5.800 1.00 10.10 H new ATOM 0 HD21 LEU A 232 23.630 -3.946 8.153 1.00 10.02 H new ATOM 0 HD22 LEU A 232 23.101 -4.333 6.498 1.00 10.02 H new ATOM 0 HD23 LEU A 232 22.612 -5.375 7.855 1.00 10.02 H new TER 1328 LEU A 232 HETATM 1329 C1 6FS A 301 -12.021 -10.006 -4.704 1.00 3.29 C HETATM 1330 C2 6FS A 301 -11.017 -10.851 -5.179 1.00 3.29 C HETATM 1331 C3 6FS A 301 -9.676 -10.508 -5.053 1.00 2.95 C HETATM 1332 C5 6FS A 301 -10.337 -8.447 -3.954 1.00 2.66 C HETATM 1333 C6 6FS A 301 -11.686 -8.801 -4.093 1.00 2.96 C HETATM 1334 C7 6FS A 301 -12.184 -6.774 -3.073 1.00 2.75 C HETATM 1335 C8 6FS A 301 -7.787 -7.743 -3.697 1.00 2.39 C HETATM 1336 C10 6FS A 301 -12.686 -12.306 -5.873 1.00 4.10 C HETATM 1337 C11 6FS A 301 -7.184 -11.185 -5.423 1.00 2.90 C HETATM 1338 C12 6FS A 301 -4.375 -11.882 -5.928 1.00 2.77 C HETATM 1339 C13 6FS A 301 -4.888 -9.664 -6.848 1.00 2.69 C HETATM 1340 C14 6FS A 301 -4.453 -8.498 -7.478 1.00 2.61 C HETATM 1341 C15 6FS A 301 -3.109 -8.358 -7.821 1.00 2.60 C HETATM 1342 C16 6FS A 301 -2.211 -9.370 -7.528 1.00 2.84 C HETATM 1343 C19 6FS A 301 -3.608 -6.267 -8.711 1.00 2.56 C HETATM 1344 C21 6FS A 301 -0.196 -11.439 -8.416 1.00 4.50 C HETATM 1345 O7 6FS A 301 -0.829 -11.317 -9.486 1.00 4.92 O HETATM 1346 S1 6FS A 301 -6.133 -12.276 -6.294 1.00 3.00 S HETATM 1347 C18 6FS A 301 -3.976 -10.688 -6.553 1.00 2.66 C HETATM 1348 O8 6FS A 301 0.203 -12.516 -7.922 1.00 4.93 O HETATM 1349 O4 6FS A 301 -6.450 -13.732 -5.902 1.00 3.29 O HETATM 1350 O3 6FS A 301 -11.276 -12.050 -5.794 1.00 3.71 O HETATM 1351 O6 6FS A 301 -2.595 -7.253 -8.455 1.00 2.67 O HETATM 1352 C17 6FS A 301 -2.635 -10.531 -6.896 1.00 2.83 C HETATM 1353 C9 6FS A 301 -8.700 -11.375 -5.563 1.00 3.01 C HETATM 1354 O1 6FS A 301 -12.693 -7.973 -3.670 1.00 3.05 O HETATM 1355 C4 6FS A 301 -9.341 -9.300 -4.433 1.00 2.66 C HETATM 1356 C20 6FS A 301 0.120 -10.156 -7.641 1.00 3.90 C HETATM 1357 O5 6FS A 301 -6.394 -12.101 -7.802 1.00 3.37 O HETATM 1358 N1 6FS A 301 -0.944 -9.168 -7.886 1.00 3.31 N HETATM 1359 O2 6FS A 301 -8.011 -8.997 -4.351 1.00 2.53 O