USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 770 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 61 ASN : amide:sc= 1.5 K(o=2.7,f=-2.6!) USER MOD Set 1.2: A 84 THR OG1 : rot 32:sc= 1.16 USER MOD Set 2.1: A 15 MET CE :methyl 159:sc= -3.89! (180deg=-1.92) USER MOD Set 2.2: A 49 SER OG : rot -68:sc= -0.635 USER MOD Set 3.1: A 28 SER OG : rot -4:sc= 0.919 USER MOD Set 3.2: A 35 GLN : amide:sc= 1.57 K(o=4.7,f=-4.8!) USER MOD Set 3.3: A 68 LYS NZ :NH3+ 176:sc= 2.38 (180deg=0.989) USER MOD Set 3.4: A 70 HIS : no HD1:sc= -0.18 X(o=4.7,f=4.4) USER MOD Single : A 13 CYS SG : rot 170:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -164:sc= -0.0276 (180deg=-0.275) USER MOD Single : A 17 LYS NZ :NH3+ 161:sc= 1.23 (180deg=1.02) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.36 K(o=1.4,f=-2.9!) USER MOD Single : A 27 HIS : no HD1:sc= -0.278 X(o=-0.28,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.129 USER MOD Single : A 44 SER OG : rot -51:sc= 1 USER MOD Single : A 54 GLN : amide:sc= -1.32 K(o=-1.3,f=-5.8!) USER MOD Single : A 64 CYS SG : rot -170:sc= -0.63 USER MOD Single : A 65 MET CE :methyl -110:sc= -0.0138 (180deg=-2.29!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -161:sc= 1.26 (180deg=0.824) USER MOD Single : A 93 THR OG1 : rot 70:sc= -0.899! USER MOD Single : A 98 LYS NZ :NH3+ -137:sc= 0.297 (180deg=-0.0702) USER MOD Single : A 99 LYS NZ :NH3+ 156:sc= -0.141 (180deg=-0.721) USER MOD Single : A 100 CYS SG : rot -33:sc= 0.0691 USER MOD Single : A 105 SER OG : rot 180:sc= -0.145 USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 108 HIS : no HD1:sc= -0.615 X(o=-0.61,f=-0.7) USER MOD Single : A 110 ASN : amide:sc= -0.212 K(o=-0.21,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 8 -7.382 -7.958 -1.298 1.00 0.80 N ATOM 107 CA LEU A 8 -7.702 -6.559 -1.562 1.00 0.56 C ATOM 108 C LEU A 8 -7.411 -5.704 -0.338 1.00 0.48 C ATOM 109 O LEU A 8 -8.102 -4.725 -0.055 1.00 0.47 O ATOM 110 CB LEU A 8 -9.158 -6.418 -2.000 1.00 0.47 C ATOM 111 CG LEU A 8 -9.508 -7.194 -3.266 1.00 0.56 C ATOM 112 CD1 LEU A 8 -10.970 -7.022 -3.612 1.00 0.61 C ATOM 113 CD2 LEU A 8 -8.634 -6.741 -4.419 1.00 0.72 C ATOM 0 HA LEU A 8 -7.070 -6.205 -2.376 1.00 0.56 H new ATOM 0 HB2 LEU A 8 -9.804 -6.756 -1.190 1.00 0.47 H new ATOM 0 HB3 LEU A 8 -9.376 -5.362 -2.162 1.00 0.47 H new ATOM 0 HG LEU A 8 -9.323 -8.252 -3.083 1.00 0.56 H new ATOM 0 HD11 LEU A 8 -11.198 -7.584 -4.518 1.00 0.61 H new ATOM 0 HD12 LEU A 8 -11.584 -7.392 -2.791 1.00 0.61 H new ATOM 0 HD13 LEU A 8 -11.183 -5.966 -3.777 1.00 0.61 H new ATOM 0 HD21 LEU A 8 -8.895 -7.303 -5.316 1.00 0.72 H new ATOM 0 HD22 LEU A 8 -8.791 -5.677 -4.599 1.00 0.72 H new ATOM 0 HD23 LEU A 8 -7.587 -6.916 -4.172 1.00 0.72 H new ATOM 125 N ARG A 9 -6.368 -6.083 0.371 1.00 0.52 N ATOM 126 CA ARG A 9 -5.955 -5.386 1.565 1.00 0.51 C ATOM 127 C ARG A 9 -4.503 -4.953 1.410 1.00 0.43 C ATOM 128 O ARG A 9 -3.721 -5.621 0.731 1.00 0.47 O ATOM 129 CB ARG A 9 -6.087 -6.306 2.781 1.00 0.69 C ATOM 130 CG ARG A 9 -5.110 -7.465 2.740 1.00 1.15 C ATOM 131 CD ARG A 9 -5.155 -8.307 3.998 1.00 1.21 C ATOM 132 NE ARG A 9 -3.950 -9.129 4.133 1.00 1.84 N ATOM 133 CZ ARG A 9 -3.931 -10.362 4.638 1.00 2.23 C ATOM 134 NH1 ARG A 9 -5.061 -10.958 5.000 1.00 2.21 N ATOM 135 NH2 ARG A 9 -2.780 -11.014 4.764 1.00 3.09 N ATOM 0 H ARG A 9 -5.784 -6.885 0.133 1.00 0.52 H new ATOM 0 HA ARG A 9 -6.590 -4.512 1.712 1.00 0.51 H new ATOM 0 HB2 ARG A 9 -5.922 -5.728 3.690 1.00 0.69 H new ATOM 0 HB3 ARG A 9 -7.104 -6.694 2.830 1.00 0.69 H new ATOM 0 HG2 ARG A 9 -5.333 -8.094 1.878 1.00 1.15 H new ATOM 0 HG3 ARG A 9 -4.100 -7.080 2.601 1.00 1.15 H new ATOM 0 HD2 ARG A 9 -5.255 -7.659 4.868 1.00 1.21 H new ATOM 0 HD3 ARG A 9 -6.035 -8.949 3.977 1.00 1.21 H new ATOM 0 HE ARG A 9 -3.065 -8.730 3.819 1.00 1.84 H new ATOM 0 HH11 ARG A 9 -5.951 -10.472 4.892 1.00 2.21 H new ATOM 0 HH12 ARG A 9 -5.039 -11.902 5.386 1.00 2.21 H new ATOM 0 HH21 ARG A 9 -1.908 -10.571 4.474 1.00 3.09 H new ATOM 0 HH22 ARG A 9 -2.768 -11.958 5.151 1.00 3.09 H new ATOM 149 N PRO A 10 -4.125 -3.821 2.005 1.00 0.36 N ATOM 150 CA PRO A 10 -2.736 -3.409 2.040 1.00 0.30 C ATOM 151 C PRO A 10 -1.923 -4.333 2.923 1.00 0.28 C ATOM 152 O PRO A 10 -2.439 -4.896 3.887 1.00 0.38 O ATOM 153 CB PRO A 10 -2.775 -2.004 2.637 1.00 0.29 C ATOM 154 CG PRO A 10 -4.069 -1.926 3.373 1.00 0.47 C ATOM 155 CD PRO A 10 -5.013 -2.865 2.674 1.00 0.40 C ATOM 0 HA PRO A 10 -2.272 -3.436 1.054 1.00 0.30 H new ATOM 0 HB2 PRO A 10 -1.931 -1.837 3.306 1.00 0.29 H new ATOM 0 HB3 PRO A 10 -2.719 -1.244 1.858 1.00 0.29 H new ATOM 0 HG2 PRO A 10 -3.940 -2.211 4.417 1.00 0.47 H new ATOM 0 HG3 PRO A 10 -4.458 -0.908 3.367 1.00 0.47 H new ATOM 0 HD2 PRO A 10 -5.678 -3.363 3.380 1.00 0.40 H new ATOM 0 HD3 PRO A 10 -5.645 -2.338 1.959 1.00 0.40 H new ATOM 163 N ARG A 11 -0.663 -4.491 2.594 1.00 0.29 N ATOM 164 CA ARG A 11 0.209 -5.354 3.373 1.00 0.34 C ATOM 165 C ARG A 11 1.383 -4.558 3.923 1.00 0.27 C ATOM 166 O ARG A 11 1.981 -3.742 3.218 1.00 0.27 O ATOM 167 CB ARG A 11 0.684 -6.554 2.542 1.00 0.49 C ATOM 168 CG ARG A 11 1.664 -6.214 1.430 1.00 0.63 C ATOM 169 CD ARG A 11 1.937 -7.430 0.556 1.00 1.00 C ATOM 170 NE ARG A 11 3.090 -7.239 -0.322 1.00 1.22 N ATOM 171 CZ ARG A 11 3.030 -6.701 -1.541 1.00 1.59 C ATOM 172 NH1 ARG A 11 1.875 -6.253 -2.028 1.00 1.95 N ATOM 173 NH2 ARG A 11 4.135 -6.608 -2.267 1.00 2.37 N ATOM 0 H ARG A 11 -0.215 -4.038 1.797 1.00 0.29 H new ATOM 0 HA ARG A 11 -0.358 -5.749 4.216 1.00 0.34 H new ATOM 0 HB2 ARG A 11 1.151 -7.278 3.210 1.00 0.49 H new ATOM 0 HB3 ARG A 11 -0.187 -7.041 2.103 1.00 0.49 H new ATOM 0 HG2 ARG A 11 1.262 -5.406 0.820 1.00 0.63 H new ATOM 0 HG3 ARG A 11 2.598 -5.854 1.861 1.00 0.63 H new ATOM 0 HD2 ARG A 11 2.108 -8.299 1.191 1.00 1.00 H new ATOM 0 HD3 ARG A 11 1.056 -7.645 -0.048 1.00 1.00 H new ATOM 0 HE ARG A 11 4.003 -7.538 0.021 1.00 1.22 H new ATOM 0 HH11 ARG A 11 1.025 -6.319 -1.468 1.00 1.95 H new ATOM 0 HH12 ARG A 11 1.840 -5.843 -2.961 1.00 1.95 H new ATOM 0 HH21 ARG A 11 5.021 -6.946 -1.892 1.00 2.37 H new ATOM 0 HH22 ARG A 11 4.099 -6.198 -3.200 1.00 2.37 H new ATOM 187 N LEU A 12 1.691 -4.781 5.191 1.00 0.29 N ATOM 188 CA LEU A 12 2.749 -4.042 5.856 1.00 0.26 C ATOM 189 C LEU A 12 4.063 -4.798 5.749 1.00 0.25 C ATOM 190 O LEU A 12 4.231 -5.865 6.338 1.00 0.32 O ATOM 191 CB LEU A 12 2.396 -3.805 7.327 1.00 0.34 C ATOM 192 CG LEU A 12 3.371 -2.911 8.100 1.00 0.60 C ATOM 193 CD1 LEU A 12 3.364 -1.498 7.538 1.00 1.32 C ATOM 194 CD2 LEU A 12 3.026 -2.897 9.583 1.00 1.28 C ATOM 0 H LEU A 12 1.222 -5.469 5.780 1.00 0.29 H new ATOM 0 HA LEU A 12 2.857 -3.075 5.365 1.00 0.26 H new ATOM 0 HB2 LEU A 12 1.403 -3.359 7.378 1.00 0.34 H new ATOM 0 HB3 LEU A 12 2.338 -4.771 7.830 1.00 0.34 H new ATOM 0 HG LEU A 12 4.374 -3.321 7.985 1.00 0.60 H new ATOM 0 HD11 LEU A 12 4.063 -0.879 8.101 1.00 1.32 H new ATOM 0 HD12 LEU A 12 3.663 -1.522 6.490 1.00 1.32 H new ATOM 0 HD13 LEU A 12 2.361 -1.079 7.620 1.00 1.32 H new ATOM 0 HD21 LEU A 12 3.730 -2.257 10.114 1.00 1.28 H new ATOM 0 HD22 LEU A 12 2.014 -2.514 9.718 1.00 1.28 H new ATOM 0 HD23 LEU A 12 3.086 -3.910 9.980 1.00 1.28 H new ATOM 206 N CYS A 13 4.978 -4.240 4.983 1.00 0.23 N ATOM 207 CA CYS A 13 6.290 -4.825 4.803 1.00 0.25 C ATOM 208 C CYS A 13 7.260 -4.204 5.797 1.00 0.22 C ATOM 209 O CYS A 13 7.503 -3.000 5.765 1.00 0.24 O ATOM 210 CB CYS A 13 6.764 -4.586 3.371 1.00 0.29 C ATOM 211 SG CYS A 13 5.542 -5.038 2.117 1.00 0.40 S ATOM 0 H CYS A 13 4.833 -3.371 4.469 1.00 0.23 H new ATOM 0 HA CYS A 13 6.244 -5.899 4.980 1.00 0.25 H new ATOM 0 HB2 CYS A 13 7.020 -3.533 3.253 1.00 0.29 H new ATOM 0 HB3 CYS A 13 7.676 -5.157 3.199 1.00 0.29 H new ATOM 0 HG CYS A 13 5.934 -4.609 0.954 1.00 0.40 H new ATOM 217 N THR A 14 7.805 -5.019 6.683 1.00 0.23 N ATOM 218 CA THR A 14 8.685 -4.512 7.723 1.00 0.24 C ATOM 219 C THR A 14 10.114 -4.953 7.445 1.00 0.22 C ATOM 220 O THR A 14 10.404 -6.148 7.401 1.00 0.25 O ATOM 221 CB THR A 14 8.239 -5.016 9.110 1.00 0.31 C ATOM 222 OG1 THR A 14 6.846 -4.732 9.297 1.00 0.35 O ATOM 223 CG2 THR A 14 9.046 -4.357 10.221 1.00 0.35 C ATOM 0 H THR A 14 7.656 -6.028 6.704 1.00 0.23 H new ATOM 0 HA THR A 14 8.635 -3.423 7.721 1.00 0.24 H new ATOM 0 HB THR A 14 8.410 -6.092 9.155 1.00 0.31 H new ATOM 0 HG1 THR A 14 6.562 -5.054 10.178 1.00 0.35 H new ATOM 0 HG21 THR A 14 8.709 -4.732 11.187 1.00 0.35 H new ATOM 0 HG22 THR A 14 10.103 -4.590 10.090 1.00 0.35 H new ATOM 0 HG23 THR A 14 8.905 -3.277 10.182 1.00 0.35 H new ATOM 231 N MET A 15 11.000 -3.990 7.259 1.00 0.20 N ATOM 232 CA MET A 15 12.369 -4.292 6.877 1.00 0.19 C ATOM 233 C MET A 15 13.358 -3.544 7.757 1.00 0.21 C ATOM 234 O MET A 15 13.205 -2.348 8.010 1.00 0.21 O ATOM 235 CB MET A 15 12.598 -3.934 5.402 1.00 0.21 C ATOM 236 CG MET A 15 12.402 -2.460 5.094 1.00 0.24 C ATOM 237 SD MET A 15 12.578 -2.068 3.342 1.00 0.88 S ATOM 238 CE MET A 15 11.022 -2.682 2.703 1.00 0.28 C ATOM 0 H MET A 15 10.797 -2.996 7.366 1.00 0.20 H new ATOM 0 HA MET A 15 12.532 -5.361 7.014 1.00 0.19 H new ATOM 0 HB2 MET A 15 13.610 -4.224 5.120 1.00 0.21 H new ATOM 0 HB3 MET A 15 11.916 -4.519 4.785 1.00 0.21 H new ATOM 0 HG2 MET A 15 11.411 -2.154 5.430 1.00 0.24 H new ATOM 0 HG3 MET A 15 13.126 -1.877 5.664 1.00 0.24 H new ATOM 0 HE1 MET A 15 10.806 -2.202 1.748 1.00 0.28 H new ATOM 0 HE2 MET A 15 11.087 -3.761 2.561 1.00 0.28 H new ATOM 0 HE3 MET A 15 10.224 -2.457 3.411 1.00 0.28 H new ATOM 248 N LYS A 16 14.362 -4.257 8.229 1.00 0.29 N ATOM 249 CA LYS A 16 15.419 -3.656 9.019 1.00 0.37 C ATOM 250 C LYS A 16 16.616 -3.365 8.125 1.00 0.40 C ATOM 251 O LYS A 16 17.023 -4.212 7.329 1.00 0.48 O ATOM 252 CB LYS A 16 15.811 -4.584 10.168 1.00 0.50 C ATOM 253 CG LYS A 16 16.960 -4.062 11.014 1.00 0.90 C ATOM 254 CD LYS A 16 17.274 -5.000 12.164 1.00 1.09 C ATOM 255 CE LYS A 16 18.500 -4.540 12.938 1.00 1.96 C ATOM 256 NZ LYS A 16 19.734 -4.611 12.112 1.00 2.58 N ATOM 0 H LYS A 16 14.468 -5.260 8.078 1.00 0.29 H new ATOM 0 HA LYS A 16 15.065 -2.719 9.448 1.00 0.37 H new ATOM 0 HB2 LYS A 16 14.943 -4.741 10.808 1.00 0.50 H new ATOM 0 HB3 LYS A 16 16.086 -5.557 9.760 1.00 0.50 H new ATOM 0 HG2 LYS A 16 17.846 -3.939 10.391 1.00 0.90 H new ATOM 0 HG3 LYS A 16 16.707 -3.077 11.405 1.00 0.90 H new ATOM 0 HD2 LYS A 16 16.417 -5.054 12.836 1.00 1.09 H new ATOM 0 HD3 LYS A 16 17.441 -6.006 11.779 1.00 1.09 H new ATOM 0 HE2 LYS A 16 18.350 -3.516 13.280 1.00 1.96 H new ATOM 0 HE3 LYS A 16 18.622 -5.159 13.827 1.00 1.96 H new ATOM 0 HZ1 LYS A 16 20.569 -4.556 12.730 1.00 2.58 H new ATOM 0 HZ2 LYS A 16 19.750 -5.509 11.588 1.00 2.58 H new ATOM 0 HZ3 LYS A 16 19.748 -3.818 11.440 1.00 2.58 H new ATOM 270 N LYS A 17 17.150 -2.154 8.245 1.00 0.41 N ATOM 271 CA LYS A 17 18.274 -1.703 7.445 1.00 0.50 C ATOM 272 C LYS A 17 19.420 -2.704 7.478 1.00 0.60 C ATOM 273 O LYS A 17 19.837 -3.141 8.553 1.00 0.67 O ATOM 274 CB LYS A 17 18.757 -0.371 7.996 1.00 0.51 C ATOM 275 CG LYS A 17 19.349 0.542 6.955 1.00 0.52 C ATOM 276 CD LYS A 17 19.968 1.777 7.591 1.00 0.53 C ATOM 277 CE LYS A 17 18.925 2.632 8.288 1.00 0.62 C ATOM 278 NZ LYS A 17 19.537 3.596 9.245 1.00 0.92 N ATOM 0 H LYS A 17 16.810 -1.456 8.906 1.00 0.41 H new ATOM 0 HA LYS A 17 17.946 -1.601 6.410 1.00 0.50 H new ATOM 0 HB2 LYS A 17 17.921 0.137 8.477 1.00 0.51 H new ATOM 0 HB3 LYS A 17 19.503 -0.558 8.768 1.00 0.51 H new ATOM 0 HG2 LYS A 17 20.107 0.005 6.386 1.00 0.52 H new ATOM 0 HG3 LYS A 17 18.575 0.843 6.249 1.00 0.52 H new ATOM 0 HD2 LYS A 17 20.729 1.474 8.310 1.00 0.53 H new ATOM 0 HD3 LYS A 17 20.470 2.368 6.825 1.00 0.53 H new ATOM 0 HE2 LYS A 17 18.349 3.179 7.542 1.00 0.62 H new ATOM 0 HE3 LYS A 17 18.226 1.987 8.821 1.00 0.62 H new ATOM 0 HZ1 LYS A 17 18.859 4.357 9.452 1.00 0.92 H new ATOM 0 HZ2 LYS A 17 19.782 3.102 10.126 1.00 0.92 H new ATOM 0 HZ3 LYS A 17 20.397 4.003 8.825 1.00 0.92 H new ATOM 292 N GLY A 18 19.911 -3.071 6.307 1.00 0.68 N ATOM 293 CA GLY A 18 21.053 -3.947 6.228 1.00 0.85 C ATOM 294 C GLY A 18 22.314 -3.188 5.867 1.00 1.05 C ATOM 295 O GLY A 18 22.375 -1.970 6.033 1.00 1.28 O ATOM 0 H GLY A 18 19.535 -2.775 5.406 1.00 0.68 H new ATOM 0 HA2 GLY A 18 21.192 -4.451 7.184 1.00 0.85 H new ATOM 0 HA3 GLY A 18 20.868 -4.721 5.483 1.00 0.85 H new ATOM 299 N PRO A 19 23.325 -3.885 5.335 1.00 1.24 N ATOM 300 CA PRO A 19 24.621 -3.282 4.990 1.00 1.57 C ATOM 301 C PRO A 19 24.516 -2.278 3.842 1.00 1.57 C ATOM 302 O PRO A 19 25.312 -1.344 3.740 1.00 2.23 O ATOM 303 CB PRO A 19 25.472 -4.482 4.566 1.00 1.91 C ATOM 304 CG PRO A 19 24.487 -5.520 4.146 1.00 1.86 C ATOM 305 CD PRO A 19 23.278 -5.320 5.017 1.00 1.40 C ATOM 0 HA PRO A 19 25.036 -2.717 5.825 1.00 1.57 H new ATOM 0 HB2 PRO A 19 26.144 -4.221 3.748 1.00 1.91 H new ATOM 0 HB3 PRO A 19 26.093 -4.836 5.388 1.00 1.91 H new ATOM 0 HG2 PRO A 19 24.231 -5.411 3.092 1.00 1.86 H new ATOM 0 HG3 PRO A 19 24.898 -6.522 4.273 1.00 1.86 H new ATOM 0 HD2 PRO A 19 22.358 -5.587 4.496 1.00 1.40 H new ATOM 0 HD3 PRO A 19 23.324 -5.933 5.917 1.00 1.40 H new ATOM 313 N SER A 20 23.530 -2.479 2.983 1.00 1.40 N ATOM 314 CA SER A 20 23.313 -1.610 1.839 1.00 1.65 C ATOM 315 C SER A 20 22.112 -0.699 2.078 1.00 1.43 C ATOM 316 O SER A 20 21.606 -0.057 1.153 1.00 1.93 O ATOM 317 CB SER A 20 23.096 -2.463 0.586 1.00 2.14 C ATOM 318 OG SER A 20 22.125 -3.474 0.820 1.00 2.87 O ATOM 0 H SER A 20 22.861 -3.245 3.059 1.00 1.40 H new ATOM 0 HA SER A 20 24.192 -0.981 1.697 1.00 1.65 H new ATOM 0 HB2 SER A 20 22.773 -1.828 -0.239 1.00 2.14 H new ATOM 0 HB3 SER A 20 24.038 -2.921 0.286 1.00 2.14 H new ATOM 0 HG SER A 20 22.002 -4.005 0.005 1.00 2.87 H new ATOM 324 N GLY A 21 21.668 -0.635 3.328 1.00 1.04 N ATOM 325 CA GLY A 21 20.459 0.090 3.643 1.00 0.94 C ATOM 326 C GLY A 21 19.233 -0.733 3.332 1.00 0.97 C ATOM 327 O GLY A 21 18.937 -1.707 4.027 1.00 1.93 O ATOM 0 H GLY A 21 22.126 -1.074 4.127 1.00 1.04 H new ATOM 0 HA2 GLY A 21 20.459 0.362 4.698 1.00 0.94 H new ATOM 0 HA3 GLY A 21 20.430 1.019 3.074 1.00 0.94 H new ATOM 331 N TYR A 22 18.530 -0.351 2.284 1.00 0.74 N ATOM 332 CA TYR A 22 17.373 -1.092 1.822 1.00 0.70 C ATOM 333 C TYR A 22 17.502 -1.301 0.316 1.00 0.89 C ATOM 334 O TYR A 22 18.241 -0.572 -0.343 1.00 1.82 O ATOM 335 CB TYR A 22 16.086 -0.334 2.152 1.00 0.64 C ATOM 336 CG TYR A 22 16.003 0.153 3.589 1.00 0.50 C ATOM 337 CD1 TYR A 22 15.719 -0.733 4.620 1.00 0.47 C ATOM 338 CD2 TYR A 22 16.218 1.490 3.916 1.00 0.55 C ATOM 339 CE1 TYR A 22 15.656 -0.310 5.932 1.00 0.46 C ATOM 340 CE2 TYR A 22 16.153 1.918 5.225 1.00 0.54 C ATOM 341 CZ TYR A 22 15.828 1.076 6.206 1.00 0.46 C ATOM 342 OH TYR A 22 15.814 1.440 7.537 1.00 0.59 O ATOM 0 H TYR A 22 18.744 0.479 1.731 1.00 0.74 H new ATOM 0 HA TYR A 22 17.327 -2.058 2.325 1.00 0.70 H new ATOM 0 HB2 TYR A 22 16.000 0.523 1.484 1.00 0.64 H new ATOM 0 HB3 TYR A 22 15.233 -0.982 1.950 1.00 0.64 H new ATOM 0 HD1 TYR A 22 15.544 -1.774 4.390 1.00 0.47 H new ATOM 0 HD2 TYR A 22 16.439 2.201 3.133 1.00 0.55 H new ATOM 0 HE1 TYR A 22 15.480 -1.014 6.732 1.00 0.46 H new ATOM 0 HE2 TYR A 22 16.368 2.950 5.459 1.00 0.54 H new ATOM 0 HH TYR A 22 15.941 2.409 7.613 1.00 0.59 H new ATOM 352 N GLY A 23 16.791 -2.274 -0.233 1.00 0.43 N ATOM 353 CA GLY A 23 16.985 -2.611 -1.632 1.00 0.42 C ATOM 354 C GLY A 23 15.708 -2.562 -2.442 1.00 0.39 C ATOM 355 O GLY A 23 15.142 -3.601 -2.785 1.00 0.39 O ATOM 0 H GLY A 23 16.091 -2.832 0.256 1.00 0.43 H new ATOM 0 HA2 GLY A 23 17.710 -1.923 -2.067 1.00 0.42 H new ATOM 0 HA3 GLY A 23 17.413 -3.611 -1.702 1.00 0.42 H new ATOM 359 N PHE A 24 15.252 -1.358 -2.747 1.00 0.37 N ATOM 360 CA PHE A 24 14.076 -1.180 -3.584 1.00 0.36 C ATOM 361 C PHE A 24 14.171 0.121 -4.369 1.00 0.38 C ATOM 362 O PHE A 24 15.035 0.955 -4.105 1.00 0.40 O ATOM 363 CB PHE A 24 12.790 -1.213 -2.749 1.00 0.34 C ATOM 364 CG PHE A 24 12.698 -0.144 -1.697 1.00 0.32 C ATOM 365 CD1 PHE A 24 13.245 -0.341 -0.440 1.00 0.33 C ATOM 366 CD2 PHE A 24 12.061 1.055 -1.967 1.00 0.34 C ATOM 367 CE1 PHE A 24 13.153 0.639 0.530 1.00 0.35 C ATOM 368 CE2 PHE A 24 11.964 2.037 -1.000 1.00 0.36 C ATOM 369 CZ PHE A 24 12.515 1.831 0.249 1.00 0.36 C ATOM 0 H PHE A 24 15.679 -0.488 -2.427 1.00 0.37 H new ATOM 0 HA PHE A 24 14.038 -2.010 -4.290 1.00 0.36 H new ATOM 0 HB2 PHE A 24 11.935 -1.119 -3.419 1.00 0.34 H new ATOM 0 HB3 PHE A 24 12.711 -2.187 -2.266 1.00 0.34 H new ATOM 0 HD1 PHE A 24 13.748 -1.270 -0.216 1.00 0.33 H new ATOM 0 HD2 PHE A 24 11.635 1.225 -2.945 1.00 0.34 H new ATOM 0 HE1 PHE A 24 13.580 0.473 1.508 1.00 0.35 H new ATOM 0 HE2 PHE A 24 11.458 2.965 -1.221 1.00 0.36 H new ATOM 0 HZ PHE A 24 12.447 2.600 1.004 1.00 0.36 H new ATOM 379 N ASN A 25 13.277 0.282 -5.333 1.00 0.43 N ATOM 380 CA ASN A 25 13.302 1.431 -6.233 1.00 0.46 C ATOM 381 C ASN A 25 11.918 2.060 -6.336 1.00 0.42 C ATOM 382 O ASN A 25 10.912 1.348 -6.352 1.00 0.39 O ATOM 383 CB ASN A 25 13.774 0.999 -7.626 1.00 0.51 C ATOM 384 CG ASN A 25 15.214 0.524 -7.638 1.00 1.23 C ATOM 385 OD1 ASN A 25 16.130 1.294 -7.921 1.00 2.18 O ATOM 386 ND2 ASN A 25 15.419 -0.745 -7.329 1.00 1.65 N ATOM 0 H ASN A 25 12.517 -0.374 -5.515 1.00 0.43 H new ATOM 0 HA ASN A 25 13.996 2.168 -5.829 1.00 0.46 H new ATOM 0 HB2 ASN A 25 13.130 0.199 -7.991 1.00 0.51 H new ATOM 0 HB3 ASN A 25 13.666 1.835 -8.317 1.00 0.51 H new ATOM 0 HD21 ASN A 25 16.367 -1.121 -7.319 1.00 1.65 H new ATOM 0 HD22 ASN A 25 14.629 -1.348 -7.101 1.00 1.65 H new ATOM 393 N LEU A 26 11.871 3.382 -6.431 1.00 0.50 N ATOM 394 CA LEU A 26 10.604 4.105 -6.430 1.00 0.52 C ATOM 395 C LEU A 26 10.205 4.551 -7.831 1.00 0.55 C ATOM 396 O LEU A 26 11.047 4.881 -8.664 1.00 0.73 O ATOM 397 CB LEU A 26 10.666 5.332 -5.509 1.00 0.69 C ATOM 398 CG LEU A 26 10.657 5.049 -4.001 1.00 0.87 C ATOM 399 CD1 LEU A 26 9.525 4.097 -3.640 1.00 1.52 C ATOM 400 CD2 LEU A 26 12.001 4.507 -3.535 1.00 1.48 C ATOM 0 H LEU A 26 12.696 3.977 -6.510 1.00 0.50 H new ATOM 0 HA LEU A 26 9.851 3.411 -6.057 1.00 0.52 H new ATOM 0 HB2 LEU A 26 11.570 5.893 -5.747 1.00 0.69 H new ATOM 0 HB3 LEU A 26 9.819 5.978 -5.741 1.00 0.69 H new ATOM 0 HG LEU A 26 10.485 5.991 -3.481 1.00 0.87 H new ATOM 0 HD11 LEU A 26 9.536 3.909 -2.566 1.00 1.52 H new ATOM 0 HD12 LEU A 26 8.571 4.543 -3.921 1.00 1.52 H new ATOM 0 HD13 LEU A 26 9.657 3.156 -4.174 1.00 1.52 H new ATOM 0 HD21 LEU A 26 11.964 4.316 -2.462 1.00 1.48 H new ATOM 0 HD22 LEU A 26 12.221 3.578 -4.062 1.00 1.48 H new ATOM 0 HD23 LEU A 26 12.781 5.238 -3.747 1.00 1.48 H new ATOM 412 N HIS A 27 8.907 4.537 -8.078 1.00 0.56 N ATOM 413 CA HIS A 27 8.330 5.071 -9.299 1.00 0.67 C ATOM 414 C HIS A 27 7.545 6.329 -8.978 1.00 0.68 C ATOM 415 O HIS A 27 6.728 6.334 -8.057 1.00 0.95 O ATOM 416 CB HIS A 27 7.383 4.056 -9.937 1.00 1.23 C ATOM 417 CG HIS A 27 7.787 3.597 -11.300 1.00 0.70 C ATOM 418 ND1 HIS A 27 7.525 4.304 -12.452 1.00 0.97 N ATOM 419 CD2 HIS A 27 8.422 2.473 -11.690 1.00 0.81 C ATOM 420 CE1 HIS A 27 7.981 3.634 -13.491 1.00 1.30 C ATOM 421 NE2 HIS A 27 8.532 2.517 -13.056 1.00 1.34 N ATOM 0 H HIS A 27 8.218 4.152 -7.432 1.00 0.56 H new ATOM 0 HA HIS A 27 9.140 5.293 -9.994 1.00 0.67 H new ATOM 0 HB2 HIS A 27 7.309 3.187 -9.283 1.00 1.23 H new ATOM 0 HB3 HIS A 27 6.387 4.496 -9.997 1.00 1.23 H new ATOM 0 HD2 HIS A 27 8.778 1.683 -11.045 1.00 0.81 H new ATOM 0 HE1 HIS A 27 7.915 3.946 -14.523 1.00 1.30 H new ATOM 0 HE2 HIS A 27 8.968 1.803 -13.640 1.00 1.34 H new ATOM 430 N SER A 28 7.813 7.389 -9.712 1.00 0.75 N ATOM 431 CA SER A 28 7.064 8.627 -9.585 1.00 1.14 C ATOM 432 C SER A 28 7.091 9.348 -10.921 1.00 1.03 C ATOM 433 O SER A 28 7.936 10.209 -11.167 1.00 1.34 O ATOM 434 CB SER A 28 7.648 9.500 -8.469 1.00 1.74 C ATOM 435 OG SER A 28 7.624 8.804 -7.231 1.00 2.30 O ATOM 0 H SER A 28 8.554 7.419 -10.412 1.00 0.75 H new ATOM 0 HA SER A 28 6.031 8.410 -9.315 1.00 1.14 H new ATOM 0 HB2 SER A 28 8.672 9.780 -8.716 1.00 1.74 H new ATOM 0 HB3 SER A 28 7.076 10.424 -8.385 1.00 1.74 H new ATOM 0 HG SER A 28 7.182 7.938 -7.351 1.00 2.30 H new ATOM 529 N GLN A 35 3.898 6.743 -5.165 1.00 0.74 N ATOM 530 CA GLN A 35 5.129 5.969 -5.192 1.00 0.59 C ATOM 531 C GLN A 35 4.824 4.520 -5.543 1.00 0.52 C ATOM 532 O GLN A 35 3.993 3.880 -4.898 1.00 0.58 O ATOM 533 CB GLN A 35 5.847 6.028 -3.835 1.00 0.58 C ATOM 534 CG GLN A 35 6.772 7.227 -3.635 1.00 0.82 C ATOM 535 CD GLN A 35 6.056 8.564 -3.684 1.00 0.75 C ATOM 536 OE1 GLN A 35 5.513 9.025 -2.682 1.00 1.50 O ATOM 537 NE2 GLN A 35 6.094 9.222 -4.832 1.00 0.78 N ATOM 0 HA GLN A 35 5.783 6.400 -5.950 1.00 0.59 H new ATOM 0 HB2 GLN A 35 5.096 6.035 -3.045 1.00 0.58 H new ATOM 0 HB3 GLN A 35 6.431 5.116 -3.712 1.00 0.58 H new ATOM 0 HG2 GLN A 35 7.276 7.130 -2.673 1.00 0.82 H new ATOM 0 HG3 GLN A 35 7.545 7.210 -4.403 1.00 0.82 H new ATOM 0 HE21 GLN A 35 6.554 8.807 -5.643 1.00 0.78 H new ATOM 0 HE22 GLN A 35 5.663 10.144 -4.906 1.00 0.78 H new ATOM 546 N PHE A 36 5.496 4.011 -6.560 1.00 0.47 N ATOM 547 CA PHE A 36 5.363 2.616 -6.948 1.00 0.43 C ATOM 548 C PHE A 36 6.711 1.939 -6.785 1.00 0.39 C ATOM 549 O PHE A 36 7.739 2.609 -6.768 1.00 0.45 O ATOM 550 CB PHE A 36 4.897 2.492 -8.406 1.00 0.48 C ATOM 551 CG PHE A 36 3.592 3.177 -8.713 1.00 0.58 C ATOM 552 CD1 PHE A 36 3.551 4.542 -8.944 1.00 0.70 C ATOM 553 CD2 PHE A 36 2.407 2.459 -8.754 1.00 0.68 C ATOM 554 CE1 PHE A 36 2.353 5.178 -9.211 1.00 0.83 C ATOM 555 CE2 PHE A 36 1.207 3.088 -9.023 1.00 0.81 C ATOM 556 CZ PHE A 36 1.185 4.435 -9.308 1.00 0.87 C ATOM 0 H PHE A 36 6.145 4.547 -7.137 1.00 0.47 H new ATOM 0 HA PHE A 36 4.616 2.139 -6.313 1.00 0.43 H new ATOM 0 HB2 PHE A 36 5.669 2.904 -9.056 1.00 0.48 H new ATOM 0 HB3 PHE A 36 4.803 1.435 -8.654 1.00 0.48 H new ATOM 0 HD1 PHE A 36 4.465 5.116 -8.915 1.00 0.70 H new ATOM 0 HD2 PHE A 36 2.422 1.394 -8.573 1.00 0.68 H new ATOM 0 HE1 PHE A 36 2.326 6.249 -9.344 1.00 0.83 H new ATOM 0 HE2 PHE A 36 0.286 2.524 -9.010 1.00 0.81 H new ATOM 0 HZ PHE A 36 0.263 4.911 -9.606 1.00 0.87 H new ATOM 566 N ILE A 37 6.718 0.631 -6.645 1.00 0.36 N ATOM 567 CA ILE A 37 7.970 -0.094 -6.545 1.00 0.33 C ATOM 568 C ILE A 37 8.430 -0.524 -7.931 1.00 0.33 C ATOM 569 O ILE A 37 7.819 -1.383 -8.563 1.00 0.38 O ATOM 570 CB ILE A 37 7.848 -1.332 -5.634 1.00 0.34 C ATOM 571 CG1 ILE A 37 7.297 -0.930 -4.262 1.00 0.39 C ATOM 572 CG2 ILE A 37 9.200 -2.023 -5.489 1.00 0.33 C ATOM 573 CD1 ILE A 37 8.166 0.068 -3.523 1.00 0.38 C ATOM 0 H ILE A 37 5.881 0.051 -6.598 1.00 0.36 H new ATOM 0 HA ILE A 37 8.704 0.577 -6.099 1.00 0.33 H new ATOM 0 HB ILE A 37 7.152 -2.035 -6.093 1.00 0.34 H new ATOM 0 HG12 ILE A 37 6.301 -0.506 -4.391 1.00 0.39 H new ATOM 0 HG13 ILE A 37 7.185 -1.824 -3.649 1.00 0.39 H new ATOM 0 HG21 ILE A 37 9.096 -2.895 -4.843 1.00 0.33 H new ATOM 0 HG22 ILE A 37 9.554 -2.339 -6.470 1.00 0.33 H new ATOM 0 HG23 ILE A 37 9.918 -1.330 -5.050 1.00 0.33 H new ATOM 0 HD11 ILE A 37 7.711 0.304 -2.561 1.00 0.38 H new ATOM 0 HD12 ILE A 37 9.155 -0.360 -3.361 1.00 0.38 H new ATOM 0 HD13 ILE A 37 8.257 0.979 -4.114 1.00 0.38 H new ATOM 585 N ARG A 38 9.492 0.106 -8.409 1.00 0.34 N ATOM 586 CA ARG A 38 10.052 -0.222 -9.712 1.00 0.41 C ATOM 587 C ARG A 38 10.692 -1.601 -9.686 1.00 0.40 C ATOM 588 O ARG A 38 10.373 -2.465 -10.501 1.00 0.49 O ATOM 589 CB ARG A 38 11.092 0.810 -10.129 1.00 0.50 C ATOM 590 CG ARG A 38 11.669 0.533 -11.501 1.00 0.67 C ATOM 591 CD ARG A 38 12.684 1.574 -11.911 1.00 1.24 C ATOM 592 NE ARG A 38 13.908 1.513 -11.112 1.00 1.56 N ATOM 593 CZ ARG A 38 15.074 1.056 -11.571 1.00 2.17 C ATOM 594 NH1 ARG A 38 15.174 0.601 -12.813 1.00 2.83 N ATOM 595 NH2 ARG A 38 16.143 1.051 -10.786 1.00 2.62 N ATOM 0 H ARG A 38 9.985 0.849 -7.913 1.00 0.34 H new ATOM 0 HA ARG A 38 9.237 -0.217 -10.436 1.00 0.41 H new ATOM 0 HB2 ARG A 38 10.638 1.801 -10.123 1.00 0.50 H new ATOM 0 HB3 ARG A 38 11.898 0.825 -9.396 1.00 0.50 H new ATOM 0 HG2 ARG A 38 12.138 -0.451 -11.505 1.00 0.67 H new ATOM 0 HG3 ARG A 38 10.863 0.505 -12.234 1.00 0.67 H new ATOM 0 HD2 ARG A 38 12.934 1.437 -12.963 1.00 1.24 H new ATOM 0 HD3 ARG A 38 12.241 2.565 -11.815 1.00 1.24 H new ATOM 0 HE ARG A 38 13.867 1.839 -10.146 1.00 1.56 H new ATOM 0 HH11 ARG A 38 14.356 0.599 -13.423 1.00 2.83 H new ATOM 0 HH12 ARG A 38 16.068 0.253 -13.158 1.00 2.83 H new ATOM 0 HH21 ARG A 38 16.075 1.397 -9.829 1.00 2.62 H new ATOM 0 HH22 ARG A 38 17.034 0.701 -11.139 1.00 2.62 H new ATOM 609 N SER A 39 11.605 -1.792 -8.749 1.00 0.36 N ATOM 610 CA SER A 39 12.324 -3.048 -8.623 1.00 0.40 C ATOM 611 C SER A 39 12.751 -3.257 -7.181 1.00 0.32 C ATOM 612 O SER A 39 13.080 -2.296 -6.485 1.00 0.37 O ATOM 613 CB SER A 39 13.558 -3.045 -9.530 1.00 0.54 C ATOM 614 OG SER A 39 13.228 -2.662 -10.856 1.00 1.26 O ATOM 0 H SER A 39 11.867 -1.087 -8.060 1.00 0.36 H new ATOM 0 HA SER A 39 11.664 -3.861 -8.925 1.00 0.40 H new ATOM 0 HB2 SER A 39 14.305 -2.361 -9.128 1.00 0.54 H new ATOM 0 HB3 SER A 39 14.007 -4.038 -9.538 1.00 0.54 H new ATOM 0 HG SER A 39 14.037 -2.668 -11.409 1.00 1.26 H new ATOM 620 N VAL A 40 12.726 -4.498 -6.736 1.00 0.36 N ATOM 621 CA VAL A 40 13.172 -4.837 -5.395 1.00 0.30 C ATOM 622 C VAL A 40 14.269 -5.895 -5.469 1.00 0.31 C ATOM 623 O VAL A 40 14.191 -6.823 -6.274 1.00 0.37 O ATOM 624 CB VAL A 40 11.998 -5.331 -4.514 1.00 0.33 C ATOM 625 CG1 VAL A 40 11.342 -6.567 -5.110 1.00 0.37 C ATOM 626 CG2 VAL A 40 12.463 -5.607 -3.090 1.00 0.32 C ATOM 0 H VAL A 40 12.400 -5.293 -7.285 1.00 0.36 H new ATOM 0 HA VAL A 40 13.572 -3.936 -4.930 1.00 0.30 H new ATOM 0 HB VAL A 40 11.253 -4.536 -4.484 1.00 0.33 H new ATOM 0 HG11 VAL A 40 10.522 -6.889 -4.468 1.00 0.37 H new ATOM 0 HG12 VAL A 40 10.956 -6.332 -6.102 1.00 0.37 H new ATOM 0 HG13 VAL A 40 12.078 -7.368 -5.188 1.00 0.37 H new ATOM 0 HG21 VAL A 40 11.619 -5.953 -2.492 1.00 0.32 H new ATOM 0 HG22 VAL A 40 13.237 -6.374 -3.102 1.00 0.32 H new ATOM 0 HG23 VAL A 40 12.865 -4.692 -2.655 1.00 0.32 H new ATOM 636 N ASP A 41 15.305 -5.736 -4.661 1.00 0.35 N ATOM 637 CA ASP A 41 16.408 -6.691 -4.644 1.00 0.45 C ATOM 638 C ASP A 41 16.059 -7.895 -3.780 1.00 0.48 C ATOM 639 O ASP A 41 15.755 -7.749 -2.598 1.00 0.51 O ATOM 640 CB ASP A 41 17.692 -6.040 -4.119 1.00 0.54 C ATOM 641 CG ASP A 41 18.259 -4.999 -5.063 1.00 1.27 C ATOM 642 OD1 ASP A 41 18.725 -5.371 -6.159 1.00 2.28 O ATOM 643 OD2 ASP A 41 18.233 -3.797 -4.718 1.00 1.32 O ATOM 0 H ASP A 41 15.408 -4.958 -4.009 1.00 0.35 H new ATOM 0 HA ASP A 41 16.576 -7.020 -5.669 1.00 0.45 H new ATOM 0 HB2 ASP A 41 17.488 -5.575 -3.155 1.00 0.54 H new ATOM 0 HB3 ASP A 41 18.441 -6.813 -3.948 1.00 0.54 H new ATOM 648 N PRO A 42 16.110 -9.105 -4.359 1.00 0.58 N ATOM 649 CA PRO A 42 15.784 -10.346 -3.643 1.00 0.69 C ATOM 650 C PRO A 42 16.763 -10.643 -2.513 1.00 0.69 C ATOM 651 O PRO A 42 16.459 -11.404 -1.595 1.00 1.17 O ATOM 652 CB PRO A 42 15.879 -11.427 -4.725 1.00 0.84 C ATOM 653 CG PRO A 42 16.741 -10.838 -5.787 1.00 0.93 C ATOM 654 CD PRO A 42 16.476 -9.360 -5.763 1.00 0.69 C ATOM 0 HA PRO A 42 14.806 -10.287 -3.166 1.00 0.69 H new ATOM 0 HB2 PRO A 42 16.313 -12.345 -4.328 1.00 0.84 H new ATOM 0 HB3 PRO A 42 14.894 -11.683 -5.114 1.00 0.84 H new ATOM 0 HG2 PRO A 42 17.793 -11.049 -5.597 1.00 0.93 H new ATOM 0 HG3 PRO A 42 16.502 -11.261 -6.763 1.00 0.93 H new ATOM 0 HD2 PRO A 42 17.356 -8.789 -6.060 1.00 0.69 H new ATOM 0 HD3 PRO A 42 15.672 -9.084 -6.445 1.00 0.69 H new ATOM 662 N ASP A 43 17.934 -10.028 -2.585 1.00 0.75 N ATOM 663 CA ASP A 43 18.979 -10.220 -1.583 1.00 0.87 C ATOM 664 C ASP A 43 18.864 -9.170 -0.476 1.00 0.70 C ATOM 665 O ASP A 43 19.682 -9.118 0.441 1.00 0.86 O ATOM 666 CB ASP A 43 20.359 -10.137 -2.256 1.00 1.14 C ATOM 667 CG ASP A 43 21.500 -10.507 -1.327 1.00 1.69 C ATOM 668 OD1 ASP A 43 21.624 -11.697 -0.962 1.00 1.92 O ATOM 669 OD2 ASP A 43 22.271 -9.603 -0.934 1.00 2.40 O ATOM 0 H ASP A 43 18.189 -9.385 -3.334 1.00 0.75 H new ATOM 0 HA ASP A 43 18.858 -11.204 -1.131 1.00 0.87 H new ATOM 0 HB2 ASP A 43 20.374 -10.799 -3.122 1.00 1.14 H new ATOM 0 HB3 ASP A 43 20.515 -9.124 -2.627 1.00 1.14 H new ATOM 674 N SER A 44 17.827 -8.348 -0.542 1.00 0.57 N ATOM 675 CA SER A 44 17.695 -7.238 0.386 1.00 0.48 C ATOM 676 C SER A 44 16.568 -7.495 1.380 1.00 0.40 C ATOM 677 O SER A 44 15.668 -8.302 1.123 1.00 0.39 O ATOM 678 CB SER A 44 17.425 -5.943 -0.383 1.00 0.47 C ATOM 679 OG SER A 44 16.081 -5.881 -0.825 1.00 0.46 O ATOM 0 H SER A 44 17.072 -8.428 -1.223 1.00 0.57 H new ATOM 0 HA SER A 44 18.629 -7.140 0.940 1.00 0.48 H new ATOM 0 HB2 SER A 44 17.641 -5.086 0.255 1.00 0.47 H new ATOM 0 HB3 SER A 44 18.096 -5.879 -1.240 1.00 0.47 H new ATOM 0 HG SER A 44 15.852 -6.711 -1.293 1.00 0.46 H new ATOM 685 N PRO A 45 16.605 -6.804 2.533 1.00 0.43 N ATOM 686 CA PRO A 45 15.541 -6.880 3.539 1.00 0.45 C ATOM 687 C PRO A 45 14.209 -6.361 3.004 1.00 0.38 C ATOM 688 O PRO A 45 13.153 -6.620 3.579 1.00 0.39 O ATOM 689 CB PRO A 45 16.049 -5.983 4.675 1.00 0.57 C ATOM 690 CG PRO A 45 17.060 -5.092 4.043 1.00 0.65 C ATOM 691 CD PRO A 45 17.694 -5.907 2.956 1.00 0.52 C ATOM 0 HA PRO A 45 15.347 -7.907 3.850 1.00 0.45 H new ATOM 0 HB2 PRO A 45 15.236 -5.406 5.116 1.00 0.57 H new ATOM 0 HB3 PRO A 45 16.491 -6.575 5.477 1.00 0.57 H new ATOM 0 HG2 PRO A 45 16.593 -4.195 3.638 1.00 0.65 H new ATOM 0 HG3 PRO A 45 17.802 -4.764 4.770 1.00 0.65 H new ATOM 0 HD2 PRO A 45 18.043 -5.281 2.134 1.00 0.52 H new ATOM 0 HD3 PRO A 45 18.557 -6.464 3.321 1.00 0.52 H new ATOM 699 N ALA A 46 14.268 -5.639 1.892 1.00 0.35 N ATOM 700 CA ALA A 46 13.076 -5.098 1.263 1.00 0.33 C ATOM 701 C ALA A 46 12.217 -6.223 0.702 1.00 0.30 C ATOM 702 O ALA A 46 11.027 -6.314 0.995 1.00 0.31 O ATOM 703 CB ALA A 46 13.454 -4.108 0.171 1.00 0.36 C ATOM 0 H ALA A 46 15.137 -5.415 1.406 1.00 0.35 H new ATOM 0 HA ALA A 46 12.494 -4.567 2.016 1.00 0.33 H new ATOM 0 HB1 ALA A 46 12.549 -3.712 -0.290 1.00 0.36 H new ATOM 0 HB2 ALA A 46 14.028 -3.289 0.605 1.00 0.36 H new ATOM 0 HB3 ALA A 46 14.056 -4.612 -0.585 1.00 0.36 H new ATOM 709 N GLU A 47 12.831 -7.095 -0.083 1.00 0.31 N ATOM 710 CA GLU A 47 12.121 -8.239 -0.633 1.00 0.33 C ATOM 711 C GLU A 47 11.690 -9.152 0.513 1.00 0.34 C ATOM 712 O GLU A 47 10.562 -9.644 0.537 1.00 0.40 O ATOM 713 CB GLU A 47 13.019 -8.975 -1.642 1.00 0.40 C ATOM 714 CG GLU A 47 12.308 -10.022 -2.504 1.00 0.53 C ATOM 715 CD GLU A 47 11.842 -11.250 -1.737 1.00 1.12 C ATOM 716 OE1 GLU A 47 12.692 -11.942 -1.136 1.00 1.51 O ATOM 717 OE2 GLU A 47 10.625 -11.524 -1.730 1.00 2.01 O ATOM 0 H GLU A 47 13.813 -7.033 -0.352 1.00 0.31 H new ATOM 0 HA GLU A 47 11.229 -7.912 -1.167 1.00 0.33 H new ATOM 0 HB2 GLU A 47 13.479 -8.238 -2.300 1.00 0.40 H new ATOM 0 HB3 GLU A 47 13.826 -9.464 -1.097 1.00 0.40 H new ATOM 0 HG2 GLU A 47 11.446 -9.557 -2.982 1.00 0.53 H new ATOM 0 HG3 GLU A 47 12.982 -10.339 -3.300 1.00 0.53 H new ATOM 724 N ALA A 48 12.578 -9.321 1.488 1.00 0.34 N ATOM 725 CA ALA A 48 12.313 -10.171 2.646 1.00 0.38 C ATOM 726 C ALA A 48 11.105 -9.684 3.449 1.00 0.37 C ATOM 727 O ALA A 48 10.406 -10.481 4.076 1.00 0.47 O ATOM 728 CB ALA A 48 13.547 -10.239 3.535 1.00 0.44 C ATOM 0 H ALA A 48 13.496 -8.876 1.499 1.00 0.34 H new ATOM 0 HA ALA A 48 12.077 -11.169 2.277 1.00 0.38 H new ATOM 0 HB1 ALA A 48 13.341 -10.875 4.396 1.00 0.44 H new ATOM 0 HB2 ALA A 48 14.381 -10.654 2.969 1.00 0.44 H new ATOM 0 HB3 ALA A 48 13.804 -9.237 3.878 1.00 0.44 H new ATOM 734 N SER A 49 10.853 -8.378 3.424 1.00 0.31 N ATOM 735 CA SER A 49 9.742 -7.800 4.165 1.00 0.32 C ATOM 736 C SER A 49 8.415 -8.050 3.443 1.00 0.35 C ATOM 737 O SER A 49 7.340 -7.853 4.009 1.00 0.40 O ATOM 738 CB SER A 49 9.978 -6.301 4.354 1.00 0.32 C ATOM 739 OG SER A 49 9.809 -5.590 3.144 1.00 0.31 O ATOM 0 H SER A 49 11.405 -7.701 2.897 1.00 0.31 H new ATOM 0 HA SER A 49 9.684 -8.279 5.142 1.00 0.32 H new ATOM 0 HB2 SER A 49 9.286 -5.915 5.103 1.00 0.32 H new ATOM 0 HB3 SER A 49 10.986 -6.136 4.736 1.00 0.32 H new ATOM 0 HG SER A 49 10.531 -5.824 2.524 1.00 0.31 H new ATOM 745 N GLY A 50 8.503 -8.491 2.193 1.00 0.36 N ATOM 746 CA GLY A 50 7.309 -8.774 1.420 1.00 0.43 C ATOM 747 C GLY A 50 7.065 -7.755 0.325 1.00 0.43 C ATOM 748 O GLY A 50 6.006 -7.750 -0.308 1.00 0.62 O ATOM 0 H GLY A 50 9.381 -8.658 1.701 1.00 0.36 H new ATOM 0 HA2 GLY A 50 7.396 -9.765 0.975 1.00 0.43 H new ATOM 0 HA3 GLY A 50 6.447 -8.798 2.087 1.00 0.43 H new ATOM 752 N LEU A 51 8.041 -6.889 0.098 1.00 0.41 N ATOM 753 CA LEU A 51 7.919 -5.862 -0.922 1.00 0.40 C ATOM 754 C LEU A 51 8.160 -6.454 -2.308 1.00 0.48 C ATOM 755 O LEU A 51 9.019 -7.320 -2.482 1.00 0.65 O ATOM 756 CB LEU A 51 8.911 -4.728 -0.660 1.00 0.38 C ATOM 757 CG LEU A 51 8.729 -3.494 -1.542 1.00 0.35 C ATOM 758 CD1 LEU A 51 7.415 -2.802 -1.222 1.00 0.38 C ATOM 759 CD2 LEU A 51 9.894 -2.536 -1.371 1.00 0.37 C ATOM 0 H LEU A 51 8.925 -6.878 0.607 1.00 0.41 H new ATOM 0 HA LEU A 51 6.906 -5.460 -0.883 1.00 0.40 H new ATOM 0 HB2 LEU A 51 8.827 -4.426 0.384 1.00 0.38 H new ATOM 0 HB3 LEU A 51 9.922 -5.110 -0.800 1.00 0.38 H new ATOM 0 HG LEU A 51 8.704 -3.816 -2.583 1.00 0.35 H new ATOM 0 HD11 LEU A 51 7.301 -1.925 -1.859 1.00 0.38 H new ATOM 0 HD12 LEU A 51 6.589 -3.490 -1.400 1.00 0.38 H new ATOM 0 HD13 LEU A 51 7.411 -2.494 -0.176 1.00 0.38 H new ATOM 0 HD21 LEU A 51 9.745 -1.664 -2.008 1.00 0.37 H new ATOM 0 HD22 LEU A 51 9.954 -2.219 -0.330 1.00 0.37 H new ATOM 0 HD23 LEU A 51 10.821 -3.036 -1.652 1.00 0.37 H new ATOM 771 N ARG A 52 7.395 -5.992 -3.282 1.00 0.53 N ATOM 772 CA ARG A 52 7.518 -6.467 -4.649 1.00 0.65 C ATOM 773 C ARG A 52 7.282 -5.306 -5.612 1.00 0.55 C ATOM 774 O ARG A 52 6.796 -4.253 -5.208 1.00 0.61 O ATOM 775 CB ARG A 52 6.514 -7.603 -4.897 1.00 0.86 C ATOM 776 CG ARG A 52 6.642 -8.267 -6.263 1.00 1.23 C ATOM 777 CD ARG A 52 7.993 -8.949 -6.444 1.00 2.05 C ATOM 778 NE ARG A 52 8.182 -10.044 -5.495 1.00 2.59 N ATOM 779 CZ ARG A 52 8.523 -11.284 -5.840 1.00 3.57 C ATOM 780 NH1 ARG A 52 8.795 -11.578 -7.107 1.00 4.13 N ATOM 781 NH2 ARG A 52 8.626 -12.224 -4.910 1.00 4.38 N ATOM 0 H ARG A 52 6.675 -5.281 -3.149 1.00 0.53 H new ATOM 0 HA ARG A 52 8.522 -6.858 -4.817 1.00 0.65 H new ATOM 0 HB2 ARG A 52 6.643 -8.361 -4.124 1.00 0.86 H new ATOM 0 HB3 ARG A 52 5.503 -7.208 -4.791 1.00 0.86 H new ATOM 0 HG2 ARG A 52 5.846 -9.002 -6.385 1.00 1.23 H new ATOM 0 HG3 ARG A 52 6.507 -7.518 -7.044 1.00 1.23 H new ATOM 0 HD2 ARG A 52 8.073 -9.332 -7.461 1.00 2.05 H new ATOM 0 HD3 ARG A 52 8.790 -8.216 -6.316 1.00 2.05 H new ATOM 0 HE ARG A 52 8.044 -9.846 -4.504 1.00 2.59 H new ATOM 0 HH11 ARG A 52 8.743 -10.852 -7.821 1.00 4.13 H new ATOM 0 HH12 ARG A 52 9.056 -12.530 -7.365 1.00 4.13 H new ATOM 0 HH21 ARG A 52 8.444 -11.996 -3.932 1.00 4.38 H new ATOM 0 HH22 ARG A 52 8.887 -13.174 -5.172 1.00 4.38 H new ATOM 795 N ALA A 53 7.659 -5.492 -6.871 1.00 0.53 N ATOM 796 CA ALA A 53 7.500 -4.459 -7.881 1.00 0.54 C ATOM 797 C ALA A 53 6.039 -4.306 -8.289 1.00 0.61 C ATOM 798 O ALA A 53 5.261 -5.257 -8.200 1.00 1.44 O ATOM 799 CB ALA A 53 8.356 -4.783 -9.096 1.00 0.68 C ATOM 0 H ALA A 53 8.079 -6.355 -7.216 1.00 0.53 H new ATOM 0 HA ALA A 53 7.829 -3.512 -7.454 1.00 0.54 H new ATOM 0 HB1 ALA A 53 8.231 -4.004 -9.848 1.00 0.68 H new ATOM 0 HB2 ALA A 53 9.404 -4.836 -8.799 1.00 0.68 H new ATOM 0 HB3 ALA A 53 8.048 -5.742 -9.513 1.00 0.68 H new ATOM 805 N GLN A 54 5.694 -3.098 -8.737 1.00 0.65 N ATOM 806 CA GLN A 54 4.351 -2.764 -9.218 1.00 0.74 C ATOM 807 C GLN A 54 3.348 -2.618 -8.072 1.00 0.59 C ATOM 808 O GLN A 54 2.137 -2.539 -8.303 1.00 0.67 O ATOM 809 CB GLN A 54 3.857 -3.789 -10.250 1.00 0.99 C ATOM 810 CG GLN A 54 4.700 -3.842 -11.518 1.00 1.46 C ATOM 811 CD GLN A 54 4.584 -2.586 -12.367 1.00 2.34 C ATOM 812 OE1 GLN A 54 4.348 -1.490 -11.861 1.00 2.99 O ATOM 813 NE2 GLN A 54 4.760 -2.740 -13.671 1.00 3.06 N ATOM 0 H GLN A 54 6.346 -2.315 -8.777 1.00 0.65 H new ATOM 0 HA GLN A 54 4.424 -1.794 -9.710 1.00 0.74 H new ATOM 0 HB2 GLN A 54 3.847 -4.777 -9.790 1.00 0.99 H new ATOM 0 HB3 GLN A 54 2.828 -3.552 -10.519 1.00 0.99 H new ATOM 0 HG2 GLN A 54 5.745 -3.994 -11.246 1.00 1.46 H new ATOM 0 HG3 GLN A 54 4.397 -4.704 -12.112 1.00 1.46 H new ATOM 0 HE21 GLN A 54 4.954 -3.665 -14.054 1.00 3.06 H new ATOM 0 HE22 GLN A 54 4.701 -1.933 -14.292 1.00 3.06 H new ATOM 822 N ASP A 55 3.855 -2.576 -6.845 1.00 0.47 N ATOM 823 CA ASP A 55 3.029 -2.270 -5.682 1.00 0.45 C ATOM 824 C ASP A 55 3.063 -0.770 -5.405 1.00 0.39 C ATOM 825 O ASP A 55 4.039 -0.092 -5.739 1.00 0.48 O ATOM 826 CB ASP A 55 3.506 -3.029 -4.436 1.00 0.50 C ATOM 827 CG ASP A 55 3.163 -4.507 -4.465 1.00 0.67 C ATOM 828 OD1 ASP A 55 1.977 -4.855 -4.292 1.00 1.01 O ATOM 829 OD2 ASP A 55 4.083 -5.339 -4.619 1.00 1.02 O ATOM 0 H ASP A 55 4.837 -2.750 -6.629 1.00 0.47 H new ATOM 0 HA ASP A 55 2.010 -2.586 -5.904 1.00 0.45 H new ATOM 0 HB2 ASP A 55 4.586 -2.916 -4.341 1.00 0.50 H new ATOM 0 HB3 ASP A 55 3.059 -2.577 -3.551 1.00 0.50 H new ATOM 834 N ARG A 56 1.997 -0.254 -4.812 1.00 0.38 N ATOM 835 CA ARG A 56 1.908 1.164 -4.495 1.00 0.42 C ATOM 836 C ARG A 56 2.095 1.393 -3.005 1.00 0.39 C ATOM 837 O ARG A 56 1.523 0.675 -2.188 1.00 0.39 O ATOM 838 CB ARG A 56 0.552 1.711 -4.923 1.00 0.56 C ATOM 839 CG ARG A 56 0.625 2.996 -5.729 1.00 0.78 C ATOM 840 CD ARG A 56 0.984 4.225 -4.899 1.00 0.79 C ATOM 841 NE ARG A 56 0.181 4.387 -3.678 1.00 0.89 N ATOM 842 CZ ARG A 56 -1.145 4.577 -3.637 1.00 0.91 C ATOM 843 NH1 ARG A 56 -1.896 4.499 -4.731 1.00 1.51 N ATOM 844 NH2 ARG A 56 -1.727 4.852 -2.481 1.00 1.57 N ATOM 0 H ARG A 56 1.178 -0.798 -4.540 1.00 0.38 H new ATOM 0 HA ARG A 56 2.699 1.684 -5.035 1.00 0.42 H new ATOM 0 HB2 ARG A 56 0.037 0.953 -5.514 1.00 0.56 H new ATOM 0 HB3 ARG A 56 -0.053 1.887 -4.034 1.00 0.56 H new ATOM 0 HG2 ARG A 56 1.364 2.876 -6.521 1.00 0.78 H new ATOM 0 HG3 ARG A 56 -0.337 3.165 -6.214 1.00 0.78 H new ATOM 0 HD2 ARG A 56 2.037 4.167 -4.622 1.00 0.79 H new ATOM 0 HD3 ARG A 56 0.866 5.114 -5.518 1.00 0.79 H new ATOM 0 HE ARG A 56 0.675 4.352 -2.786 1.00 0.89 H new ATOM 0 HH11 ARG A 56 -1.465 4.290 -5.632 1.00 1.51 H new ATOM 0 HH12 ARG A 56 -2.903 4.648 -4.670 1.00 1.51 H new ATOM 0 HH21 ARG A 56 -1.167 4.918 -1.631 1.00 1.57 H new ATOM 0 HH22 ARG A 56 -2.736 4.998 -2.440 1.00 1.57 H new ATOM 858 N ILE A 57 2.874 2.405 -2.661 1.00 0.40 N ATOM 859 CA ILE A 57 3.141 2.728 -1.262 1.00 0.38 C ATOM 860 C ILE A 57 2.085 3.684 -0.735 1.00 0.38 C ATOM 861 O ILE A 57 1.770 4.688 -1.375 1.00 0.49 O ATOM 862 CB ILE A 57 4.541 3.355 -1.069 1.00 0.46 C ATOM 863 CG1 ILE A 57 5.626 2.394 -1.566 1.00 0.53 C ATOM 864 CG2 ILE A 57 4.774 3.714 0.395 1.00 0.45 C ATOM 865 CD1 ILE A 57 7.033 2.923 -1.395 1.00 0.68 C ATOM 0 H ILE A 57 3.335 3.021 -3.330 1.00 0.40 H new ATOM 0 HA ILE A 57 3.109 1.793 -0.703 1.00 0.38 H new ATOM 0 HB ILE A 57 4.592 4.272 -1.656 1.00 0.46 H new ATOM 0 HG12 ILE A 57 5.535 1.449 -1.030 1.00 0.53 H new ATOM 0 HG13 ILE A 57 5.454 2.180 -2.621 1.00 0.53 H new ATOM 0 HG21 ILE A 57 5.765 4.154 0.509 1.00 0.45 H new ATOM 0 HG22 ILE A 57 4.020 4.431 0.718 1.00 0.45 H new ATOM 0 HG23 ILE A 57 4.704 2.814 1.006 1.00 0.45 H new ATOM 0 HD11 ILE A 57 7.746 2.188 -1.769 1.00 0.68 H new ATOM 0 HD12 ILE A 57 7.143 3.852 -1.954 1.00 0.68 H new ATOM 0 HD13 ILE A 57 7.225 3.110 -0.339 1.00 0.68 H new ATOM 877 N VAL A 58 1.517 3.346 0.412 1.00 0.29 N ATOM 878 CA VAL A 58 0.496 4.174 1.032 1.00 0.32 C ATOM 879 C VAL A 58 0.988 4.752 2.355 1.00 0.30 C ATOM 880 O VAL A 58 0.842 5.945 2.612 1.00 0.37 O ATOM 881 CB VAL A 58 -0.801 3.380 1.287 1.00 0.37 C ATOM 882 CG1 VAL A 58 -1.901 4.314 1.765 1.00 0.87 C ATOM 883 CG2 VAL A 58 -1.229 2.630 0.033 1.00 0.62 C ATOM 0 H VAL A 58 1.747 2.500 0.934 1.00 0.29 H new ATOM 0 HA VAL A 58 0.285 4.985 0.335 1.00 0.32 H new ATOM 0 HB VAL A 58 -0.612 2.643 2.068 1.00 0.37 H new ATOM 0 HG11 VAL A 58 -2.812 3.743 1.942 1.00 0.87 H new ATOM 0 HG12 VAL A 58 -1.591 4.798 2.691 1.00 0.87 H new ATOM 0 HG13 VAL A 58 -2.090 5.072 1.005 1.00 0.87 H new ATOM 0 HG21 VAL A 58 -2.146 2.077 0.235 1.00 0.62 H new ATOM 0 HG22 VAL A 58 -1.405 3.341 -0.774 1.00 0.62 H new ATOM 0 HG23 VAL A 58 -0.443 1.935 -0.261 1.00 0.62 H new ATOM 893 N GLU A 59 1.573 3.904 3.188 1.00 0.24 N ATOM 894 CA GLU A 59 2.049 4.336 4.497 1.00 0.25 C ATOM 895 C GLU A 59 3.514 3.972 4.690 1.00 0.22 C ATOM 896 O GLU A 59 3.994 2.973 4.151 1.00 0.23 O ATOM 897 CB GLU A 59 1.221 3.715 5.629 1.00 0.29 C ATOM 898 CG GLU A 59 -0.249 4.105 5.626 1.00 0.40 C ATOM 899 CD GLU A 59 -0.939 3.768 6.933 1.00 0.44 C ATOM 900 OE1 GLU A 59 -0.987 2.575 7.298 1.00 0.43 O ATOM 901 OE2 GLU A 59 -1.442 4.687 7.607 1.00 0.89 O ATOM 0 H GLU A 59 1.730 2.917 2.984 1.00 0.24 H new ATOM 0 HA GLU A 59 1.938 5.420 4.535 1.00 0.25 H new ATOM 0 HB2 GLU A 59 1.295 2.630 5.562 1.00 0.29 H new ATOM 0 HB3 GLU A 59 1.659 4.007 6.584 1.00 0.29 H new ATOM 0 HG2 GLU A 59 -0.338 5.175 5.437 1.00 0.40 H new ATOM 0 HG3 GLU A 59 -0.756 3.593 4.808 1.00 0.40 H new ATOM 908 N VAL A 60 4.213 4.798 5.455 1.00 0.22 N ATOM 909 CA VAL A 60 5.601 4.550 5.812 1.00 0.21 C ATOM 910 C VAL A 60 5.762 4.684 7.321 1.00 0.22 C ATOM 911 O VAL A 60 5.418 5.712 7.892 1.00 0.27 O ATOM 912 CB VAL A 60 6.563 5.536 5.111 1.00 0.23 C ATOM 913 CG1 VAL A 60 8.006 5.251 5.502 1.00 0.54 C ATOM 914 CG2 VAL A 60 6.405 5.475 3.601 1.00 0.66 C ATOM 0 H VAL A 60 3.833 5.660 5.846 1.00 0.22 H new ATOM 0 HA VAL A 60 5.855 3.542 5.484 1.00 0.21 H new ATOM 0 HB VAL A 60 6.305 6.542 5.441 1.00 0.23 H new ATOM 0 HG11 VAL A 60 8.666 5.957 4.997 1.00 0.54 H new ATOM 0 HG12 VAL A 60 8.118 5.357 6.581 1.00 0.54 H new ATOM 0 HG13 VAL A 60 8.269 4.235 5.208 1.00 0.54 H new ATOM 0 HG21 VAL A 60 7.094 6.179 3.134 1.00 0.66 H new ATOM 0 HG22 VAL A 60 6.626 4.466 3.253 1.00 0.66 H new ATOM 0 HG23 VAL A 60 5.382 5.736 3.331 1.00 0.66 H new ATOM 924 N ASN A 61 6.247 3.627 7.961 1.00 0.25 N ATOM 925 CA ASN A 61 6.463 3.607 9.412 1.00 0.30 C ATOM 926 C ASN A 61 5.147 3.771 10.164 1.00 0.36 C ATOM 927 O ASN A 61 5.131 4.162 11.330 1.00 0.47 O ATOM 928 CB ASN A 61 7.437 4.706 9.859 1.00 0.39 C ATOM 929 CG ASN A 61 8.778 4.637 9.163 1.00 0.53 C ATOM 930 OD1 ASN A 61 9.237 3.565 8.762 1.00 1.17 O ATOM 931 ND2 ASN A 61 9.423 5.782 9.027 1.00 0.61 N ATOM 0 H ASN A 61 6.503 2.757 7.494 1.00 0.25 H new ATOM 0 HA ASN A 61 6.899 2.636 9.649 1.00 0.30 H new ATOM 0 HB2 ASN A 61 6.987 5.680 9.669 1.00 0.39 H new ATOM 0 HB3 ASN A 61 7.590 4.630 10.936 1.00 0.39 H new ATOM 0 HD21 ASN A 61 10.337 5.802 8.576 1.00 0.61 H new ATOM 0 HD22 ASN A 61 9.006 6.646 9.373 1.00 0.61 H new ATOM 938 N GLY A 62 4.043 3.472 9.492 1.00 0.37 N ATOM 939 CA GLY A 62 2.740 3.577 10.122 1.00 0.50 C ATOM 940 C GLY A 62 2.068 4.921 9.897 1.00 0.51 C ATOM 941 O GLY A 62 0.927 5.122 10.310 1.00 0.66 O ATOM 0 H GLY A 62 4.026 3.158 8.522 1.00 0.37 H new ATOM 0 HA2 GLY A 62 2.094 2.787 9.738 1.00 0.50 H new ATOM 0 HA3 GLY A 62 2.848 3.408 11.193 1.00 0.50 H new ATOM 945 N VAL A 63 2.761 5.849 9.249 1.00 0.42 N ATOM 946 CA VAL A 63 2.161 7.136 8.923 1.00 0.50 C ATOM 947 C VAL A 63 1.877 7.219 7.421 1.00 0.43 C ATOM 948 O VAL A 63 2.682 6.783 6.595 1.00 0.39 O ATOM 949 CB VAL A 63 3.036 8.331 9.390 1.00 0.61 C ATOM 950 CG1 VAL A 63 4.373 8.371 8.668 1.00 0.98 C ATOM 951 CG2 VAL A 63 2.291 9.648 9.213 1.00 1.17 C ATOM 0 H VAL A 63 3.727 5.737 8.942 1.00 0.42 H new ATOM 0 HA VAL A 63 1.219 7.207 9.467 1.00 0.50 H new ATOM 0 HB VAL A 63 3.242 8.187 10.451 1.00 0.61 H new ATOM 0 HG11 VAL A 63 4.954 9.222 9.024 1.00 0.98 H new ATOM 0 HG12 VAL A 63 4.921 7.450 8.865 1.00 0.98 H new ATOM 0 HG13 VAL A 63 4.205 8.470 7.596 1.00 0.98 H new ATOM 0 HG21 VAL A 63 2.923 10.471 9.547 1.00 1.17 H new ATOM 0 HG22 VAL A 63 2.041 9.786 8.161 1.00 1.17 H new ATOM 0 HG23 VAL A 63 1.376 9.631 9.805 1.00 1.17 H new ATOM 961 N CYS A 64 0.715 7.761 7.083 1.00 0.49 N ATOM 962 CA CYS A 64 0.229 7.766 5.710 1.00 0.49 C ATOM 963 C CYS A 64 0.976 8.781 4.860 1.00 0.47 C ATOM 964 O CYS A 64 1.229 9.908 5.288 1.00 0.51 O ATOM 965 CB CYS A 64 -1.273 8.055 5.681 1.00 0.59 C ATOM 966 SG CYS A 64 -2.004 8.034 4.026 1.00 1.68 S ATOM 0 H CYS A 64 0.085 8.208 7.749 1.00 0.49 H new ATOM 0 HA CYS A 64 0.411 6.778 5.288 1.00 0.49 H new ATOM 0 HB2 CYS A 64 -1.785 7.319 6.301 1.00 0.59 H new ATOM 0 HB3 CYS A 64 -1.452 9.031 6.132 1.00 0.59 H new ATOM 0 HG CYS A 64 -3.220 8.491 4.083 1.00 1.68 H new ATOM 972 N MET A 65 1.326 8.365 3.655 1.00 0.48 N ATOM 973 CA MET A 65 2.065 9.207 2.737 1.00 0.53 C ATOM 974 C MET A 65 1.301 9.403 1.437 1.00 0.61 C ATOM 975 O MET A 65 1.716 8.924 0.383 1.00 0.81 O ATOM 976 CB MET A 65 3.442 8.600 2.454 1.00 0.61 C ATOM 977 CG MET A 65 4.382 8.647 3.642 1.00 0.63 C ATOM 978 SD MET A 65 4.740 10.332 4.161 1.00 0.61 S ATOM 979 CE MET A 65 5.701 10.021 5.635 1.00 0.74 C ATOM 0 H MET A 65 1.106 7.439 3.289 1.00 0.48 H new ATOM 0 HA MET A 65 2.195 10.183 3.204 1.00 0.53 H new ATOM 0 HB2 MET A 65 3.316 7.563 2.142 1.00 0.61 H new ATOM 0 HB3 MET A 65 3.899 9.131 1.619 1.00 0.61 H new ATOM 0 HG2 MET A 65 3.940 8.099 4.474 1.00 0.63 H new ATOM 0 HG3 MET A 65 5.313 8.142 3.386 1.00 0.63 H new ATOM 0 HE1 MET A 65 5.125 10.312 6.513 1.00 0.74 H new ATOM 0 HE2 MET A 65 5.942 8.960 5.695 1.00 0.74 H new ATOM 0 HE3 MET A 65 6.623 10.601 5.597 1.00 0.74 H new ATOM 989 N GLU A 66 0.189 10.114 1.512 1.00 0.83 N ATOM 990 CA GLU A 66 -0.562 10.469 0.316 1.00 1.01 C ATOM 991 C GLU A 66 -0.325 11.932 -0.050 1.00 1.08 C ATOM 992 O GLU A 66 0.174 12.235 -1.135 1.00 1.86 O ATOM 993 CB GLU A 66 -2.052 10.196 0.510 1.00 1.29 C ATOM 994 CG GLU A 66 -2.398 8.715 0.503 1.00 2.19 C ATOM 995 CD GLU A 66 -2.046 8.042 -0.810 1.00 3.03 C ATOM 996 OE1 GLU A 66 -2.828 8.156 -1.775 1.00 3.33 O ATOM 997 OE2 GLU A 66 -0.988 7.380 -0.876 1.00 3.75 O ATOM 0 H GLU A 66 -0.214 10.457 2.384 1.00 0.83 H new ATOM 0 HA GLU A 66 -0.208 9.847 -0.506 1.00 1.01 H new ATOM 0 HB2 GLU A 66 -2.374 10.633 1.455 1.00 1.29 H new ATOM 0 HB3 GLU A 66 -2.612 10.697 -0.280 1.00 1.29 H new ATOM 0 HG2 GLU A 66 -1.869 8.218 1.316 1.00 2.19 H new ATOM 0 HG3 GLU A 66 -3.464 8.593 0.696 1.00 2.19 H new ATOM 1004 N GLY A 67 -0.655 12.837 0.866 1.00 1.21 N ATOM 1005 CA GLY A 67 -0.397 14.253 0.650 1.00 1.36 C ATOM 1006 C GLY A 67 1.024 14.624 1.027 1.00 1.24 C ATOM 1007 O GLY A 67 1.257 15.558 1.794 1.00 1.47 O ATOM 0 H GLY A 67 -1.098 12.616 1.758 1.00 1.21 H new ATOM 0 HA2 GLY A 67 -0.573 14.500 -0.397 1.00 1.36 H new ATOM 0 HA3 GLY A 67 -1.097 14.845 1.239 1.00 1.36 H new ATOM 1011 N LYS A 68 1.971 13.889 0.470 1.00 0.97 N ATOM 1012 CA LYS A 68 3.370 13.992 0.854 1.00 0.87 C ATOM 1013 C LYS A 68 4.236 14.605 -0.238 1.00 0.90 C ATOM 1014 O LYS A 68 3.746 15.083 -1.264 1.00 1.06 O ATOM 1015 CB LYS A 68 3.892 12.596 1.194 1.00 0.73 C ATOM 1016 CG LYS A 68 3.400 11.509 0.244 1.00 1.24 C ATOM 1017 CD LYS A 68 3.915 11.676 -1.177 1.00 2.01 C ATOM 1018 CE LYS A 68 3.006 10.980 -2.177 1.00 2.81 C ATOM 1019 NZ LYS A 68 2.903 9.519 -1.924 1.00 3.36 N ATOM 0 H LYS A 68 1.792 13.202 -0.263 1.00 0.97 H new ATOM 0 HA LYS A 68 3.429 14.654 1.718 1.00 0.87 H new ATOM 0 HB2 LYS A 68 4.982 12.612 1.180 1.00 0.73 H new ATOM 0 HB3 LYS A 68 3.590 12.342 2.210 1.00 0.73 H new ATOM 0 HG2 LYS A 68 3.711 10.536 0.624 1.00 1.24 H new ATOM 0 HG3 LYS A 68 2.310 11.513 0.231 1.00 1.24 H new ATOM 0 HD2 LYS A 68 3.982 12.736 -1.420 1.00 2.01 H new ATOM 0 HD3 LYS A 68 4.923 11.267 -1.252 1.00 2.01 H new ATOM 0 HE2 LYS A 68 2.012 11.425 -2.132 1.00 2.81 H new ATOM 0 HE3 LYS A 68 3.385 11.146 -3.186 1.00 2.81 H new ATOM 0 HZ1 LYS A 68 2.221 9.099 -2.587 1.00 3.36 H new ATOM 0 HZ2 LYS A 68 3.835 9.077 -2.059 1.00 3.36 H new ATOM 0 HZ3 LYS A 68 2.581 9.357 -0.948 1.00 3.36 H new ATOM 1033 N GLN A 69 5.535 14.566 0.009 1.00 0.87 N ATOM 1034 CA GLN A 69 6.537 14.973 -0.955 1.00 0.93 C ATOM 1035 C GLN A 69 7.459 13.791 -1.213 1.00 0.81 C ATOM 1036 O GLN A 69 7.644 12.970 -0.314 1.00 0.74 O ATOM 1037 CB GLN A 69 7.348 16.143 -0.401 1.00 1.07 C ATOM 1038 CG GLN A 69 6.524 17.379 -0.095 1.00 1.33 C ATOM 1039 CD GLN A 69 7.183 18.261 0.944 1.00 2.12 C ATOM 1040 OE1 GLN A 69 8.015 19.108 0.626 1.00 2.64 O ATOM 1041 NE2 GLN A 69 6.802 18.075 2.198 1.00 2.89 N ATOM 0 H GLN A 69 5.925 14.247 0.896 1.00 0.87 H new ATOM 0 HA GLN A 69 6.056 15.288 -1.881 1.00 0.93 H new ATOM 0 HB2 GLN A 69 7.853 15.822 0.510 1.00 1.07 H new ATOM 0 HB3 GLN A 69 8.124 16.406 -1.120 1.00 1.07 H new ATOM 0 HG2 GLN A 69 6.374 17.950 -1.011 1.00 1.33 H new ATOM 0 HG3 GLN A 69 5.538 17.078 0.259 1.00 1.33 H new ATOM 0 HE21 GLN A 69 6.108 17.361 2.420 1.00 2.89 H new ATOM 0 HE22 GLN A 69 7.202 18.646 2.943 1.00 2.89 H new ATOM 1050 N HIS A 70 8.027 13.686 -2.408 1.00 0.84 N ATOM 1051 CA HIS A 70 8.920 12.567 -2.721 1.00 0.79 C ATOM 1052 C HIS A 70 10.066 12.509 -1.711 1.00 0.70 C ATOM 1053 O HIS A 70 10.397 11.442 -1.191 1.00 0.65 O ATOM 1054 CB HIS A 70 9.472 12.708 -4.147 1.00 0.88 C ATOM 1055 CG HIS A 70 10.090 11.456 -4.700 1.00 0.90 C ATOM 1056 ND1 HIS A 70 9.735 10.927 -5.918 1.00 1.42 N ATOM 1057 CD2 HIS A 70 11.054 10.643 -4.209 1.00 1.37 C ATOM 1058 CE1 HIS A 70 10.449 9.843 -6.152 1.00 1.31 C ATOM 1059 NE2 HIS A 70 11.260 9.647 -5.131 1.00 1.13 N ATOM 0 H HIS A 70 7.891 14.350 -3.170 1.00 0.84 H new ATOM 0 HA HIS A 70 8.352 11.639 -2.659 1.00 0.79 H new ATOM 0 HB2 HIS A 70 8.663 13.022 -4.807 1.00 0.88 H new ATOM 0 HB3 HIS A 70 10.218 13.502 -4.158 1.00 0.88 H new ATOM 0 HD2 HIS A 70 11.567 10.757 -3.265 1.00 1.37 H new ATOM 0 HE1 HIS A 70 10.381 9.221 -7.032 1.00 1.31 H new ATOM 0 HE2 HIS A 70 11.929 8.882 -5.041 1.00 1.13 H new ATOM 1068 N GLY A 71 10.625 13.673 -1.408 1.00 0.72 N ATOM 1069 CA GLY A 71 11.716 13.751 -0.457 1.00 0.69 C ATOM 1070 C GLY A 71 11.290 13.390 0.951 1.00 0.62 C ATOM 1071 O GLY A 71 12.054 12.781 1.699 1.00 0.62 O ATOM 0 H GLY A 71 10.341 14.568 -1.806 1.00 0.72 H new ATOM 0 HA2 GLY A 71 12.517 13.082 -0.773 1.00 0.69 H new ATOM 0 HA3 GLY A 71 12.125 14.761 -0.461 1.00 0.69 H new ATOM 1075 N ASP A 72 10.059 13.743 1.305 1.00 0.61 N ATOM 1076 CA ASP A 72 9.544 13.489 2.645 1.00 0.58 C ATOM 1077 C ASP A 72 9.372 11.992 2.872 1.00 0.49 C ATOM 1078 O ASP A 72 9.683 11.475 3.945 1.00 0.44 O ATOM 1079 CB ASP A 72 8.206 14.204 2.849 1.00 0.68 C ATOM 1080 CG ASP A 72 7.723 14.151 4.284 1.00 1.16 C ATOM 1081 OD1 ASP A 72 7.127 13.125 4.679 1.00 1.47 O ATOM 1082 OD2 ASP A 72 7.944 15.121 5.032 1.00 2.03 O ATOM 0 H ASP A 72 9.398 14.207 0.681 1.00 0.61 H new ATOM 0 HA ASP A 72 10.263 13.876 3.367 1.00 0.58 H new ATOM 0 HB2 ASP A 72 8.306 15.245 2.543 1.00 0.68 H new ATOM 0 HB3 ASP A 72 7.455 13.751 2.201 1.00 0.68 H new ATOM 1087 N VAL A 73 8.893 11.300 1.841 1.00 0.50 N ATOM 1088 CA VAL A 73 8.688 9.858 1.913 1.00 0.45 C ATOM 1089 C VAL A 73 10.017 9.129 2.070 1.00 0.44 C ATOM 1090 O VAL A 73 10.161 8.264 2.933 1.00 0.43 O ATOM 1091 CB VAL A 73 7.960 9.322 0.659 1.00 0.51 C ATOM 1092 CG1 VAL A 73 7.754 7.815 0.744 1.00 1.08 C ATOM 1093 CG2 VAL A 73 6.630 10.029 0.471 1.00 0.97 C ATOM 0 H VAL A 73 8.640 11.717 0.945 1.00 0.50 H new ATOM 0 HA VAL A 73 8.064 9.669 2.786 1.00 0.45 H new ATOM 0 HB VAL A 73 8.590 9.528 -0.207 1.00 0.51 H new ATOM 0 HG11 VAL A 73 7.240 7.467 -0.152 1.00 1.08 H new ATOM 0 HG12 VAL A 73 8.722 7.319 0.823 1.00 1.08 H new ATOM 0 HG13 VAL A 73 7.153 7.579 1.622 1.00 1.08 H new ATOM 0 HG21 VAL A 73 6.132 9.638 -0.417 1.00 0.97 H new ATOM 0 HG22 VAL A 73 6.001 9.859 1.344 1.00 0.97 H new ATOM 0 HG23 VAL A 73 6.801 11.099 0.350 1.00 0.97 H new ATOM 1103 N VAL A 74 10.993 9.501 1.248 1.00 0.49 N ATOM 1104 CA VAL A 74 12.312 8.886 1.309 1.00 0.53 C ATOM 1105 C VAL A 74 12.978 9.207 2.643 1.00 0.51 C ATOM 1106 O VAL A 74 13.667 8.369 3.232 1.00 0.52 O ATOM 1107 CB VAL A 74 13.207 9.358 0.142 1.00 0.64 C ATOM 1108 CG1 VAL A 74 14.574 8.699 0.209 1.00 0.72 C ATOM 1109 CG2 VAL A 74 12.541 9.060 -1.194 1.00 0.70 C ATOM 0 H VAL A 74 10.895 10.223 0.534 1.00 0.49 H new ATOM 0 HA VAL A 74 12.185 7.807 1.220 1.00 0.53 H new ATOM 0 HB VAL A 74 13.342 10.436 0.232 1.00 0.64 H new ATOM 0 HG11 VAL A 74 15.187 9.047 -0.623 1.00 0.72 H new ATOM 0 HG12 VAL A 74 15.058 8.960 1.150 1.00 0.72 H new ATOM 0 HG13 VAL A 74 14.460 7.617 0.148 1.00 0.72 H new ATOM 0 HG21 VAL A 74 13.185 9.399 -2.005 1.00 0.70 H new ATOM 0 HG22 VAL A 74 12.375 7.987 -1.287 1.00 0.70 H new ATOM 0 HG23 VAL A 74 11.585 9.581 -1.248 1.00 0.70 H new ATOM 1119 N SER A 75 12.746 10.420 3.121 1.00 0.51 N ATOM 1120 CA SER A 75 13.239 10.845 4.420 1.00 0.52 C ATOM 1121 C SER A 75 12.643 9.972 5.520 1.00 0.47 C ATOM 1122 O SER A 75 13.352 9.524 6.419 1.00 0.51 O ATOM 1123 CB SER A 75 12.881 12.315 4.660 1.00 0.58 C ATOM 1124 OG SER A 75 13.370 12.779 5.906 1.00 0.66 O ATOM 0 H SER A 75 12.214 11.133 2.622 1.00 0.51 H new ATOM 0 HA SER A 75 14.324 10.738 4.438 1.00 0.52 H new ATOM 0 HB2 SER A 75 13.294 12.925 3.857 1.00 0.58 H new ATOM 0 HB3 SER A 75 11.798 12.435 4.627 1.00 0.58 H new ATOM 0 HG SER A 75 13.124 13.720 6.024 1.00 0.66 H new ATOM 1130 N ALA A 76 11.340 9.719 5.429 1.00 0.42 N ATOM 1131 CA ALA A 76 10.640 8.894 6.408 1.00 0.39 C ATOM 1132 C ALA A 76 11.227 7.489 6.466 1.00 0.37 C ATOM 1133 O ALA A 76 11.416 6.930 7.546 1.00 0.39 O ATOM 1134 CB ALA A 76 9.155 8.836 6.084 1.00 0.39 C ATOM 0 H ALA A 76 10.745 10.076 4.682 1.00 0.42 H new ATOM 0 HA ALA A 76 10.769 9.352 7.389 1.00 0.39 H new ATOM 0 HB1 ALA A 76 8.645 8.217 6.823 1.00 0.39 H new ATOM 0 HB2 ALA A 76 8.738 9.843 6.105 1.00 0.39 H new ATOM 0 HB3 ALA A 76 9.016 8.406 5.092 1.00 0.39 H new ATOM 1140 N ILE A 77 11.519 6.930 5.297 1.00 0.37 N ATOM 1141 CA ILE A 77 12.130 5.609 5.203 1.00 0.39 C ATOM 1142 C ILE A 77 13.473 5.578 5.939 1.00 0.41 C ATOM 1143 O ILE A 77 13.792 4.618 6.642 1.00 0.44 O ATOM 1144 CB ILE A 77 12.339 5.214 3.726 1.00 0.45 C ATOM 1145 CG1 ILE A 77 11.003 5.236 2.981 1.00 0.53 C ATOM 1146 CG2 ILE A 77 12.982 3.837 3.625 1.00 0.50 C ATOM 1147 CD1 ILE A 77 11.142 5.120 1.482 1.00 0.69 C ATOM 0 H ILE A 77 11.341 7.374 4.396 1.00 0.37 H new ATOM 0 HA ILE A 77 11.455 4.893 5.672 1.00 0.39 H new ATOM 0 HB ILE A 77 13.010 5.939 3.264 1.00 0.45 H new ATOM 0 HG12 ILE A 77 10.381 4.417 3.344 1.00 0.53 H new ATOM 0 HG13 ILE A 77 10.480 6.163 3.218 1.00 0.53 H new ATOM 0 HG21 ILE A 77 13.121 3.576 2.576 1.00 0.50 H new ATOM 0 HG22 ILE A 77 13.949 3.849 4.127 1.00 0.50 H new ATOM 0 HG23 ILE A 77 12.336 3.098 4.100 1.00 0.50 H new ATOM 0 HD11 ILE A 77 10.154 5.143 1.022 1.00 0.69 H new ATOM 0 HD12 ILE A 77 11.737 5.953 1.106 1.00 0.69 H new ATOM 0 HD13 ILE A 77 11.636 4.181 1.234 1.00 0.69 H new ATOM 1159 N ARG A 78 14.244 6.650 5.792 1.00 0.43 N ATOM 1160 CA ARG A 78 15.546 6.750 6.441 1.00 0.50 C ATOM 1161 C ARG A 78 15.392 7.011 7.939 1.00 0.50 C ATOM 1162 O ARG A 78 16.120 6.452 8.755 1.00 0.56 O ATOM 1163 CB ARG A 78 16.378 7.864 5.804 1.00 0.58 C ATOM 1164 CG ARG A 78 16.661 7.649 4.326 1.00 0.66 C ATOM 1165 CD ARG A 78 17.604 8.710 3.782 1.00 0.89 C ATOM 1166 NE ARG A 78 17.209 10.055 4.199 1.00 1.59 N ATOM 1167 CZ ARG A 78 16.767 10.999 3.372 1.00 2.11 C ATOM 1168 NH1 ARG A 78 16.717 10.777 2.065 1.00 2.12 N ATOM 1169 NH2 ARG A 78 16.393 12.180 3.854 1.00 3.09 N ATOM 0 H ARG A 78 13.990 7.462 5.229 1.00 0.43 H new ATOM 0 HA ARG A 78 16.061 5.799 6.305 1.00 0.50 H new ATOM 0 HB2 ARG A 78 15.856 8.812 5.930 1.00 0.58 H new ATOM 0 HB3 ARG A 78 17.325 7.948 6.337 1.00 0.58 H new ATOM 0 HG2 ARG A 78 17.098 6.661 4.177 1.00 0.66 H new ATOM 0 HG3 ARG A 78 15.725 7.671 3.768 1.00 0.66 H new ATOM 0 HD2 ARG A 78 18.618 8.506 4.127 1.00 0.89 H new ATOM 0 HD3 ARG A 78 17.621 8.657 2.693 1.00 0.89 H new ATOM 0 HE ARG A 78 17.277 10.285 5.190 1.00 1.59 H new ATOM 0 HH11 ARG A 78 17.018 9.878 1.688 1.00 2.12 H new ATOM 0 HH12 ARG A 78 16.377 11.505 1.437 1.00 2.12 H new ATOM 0 HH21 ARG A 78 16.445 12.361 4.856 1.00 3.09 H new ATOM 0 HH22 ARG A 78 16.054 12.905 3.221 1.00 3.09 H new ATOM 1183 N ALA A 79 14.425 7.847 8.292 1.00 0.47 N ATOM 1184 CA ALA A 79 14.203 8.245 9.680 1.00 0.51 C ATOM 1185 C ALA A 79 13.359 7.220 10.430 1.00 0.43 C ATOM 1186 O ALA A 79 12.892 7.480 11.541 1.00 0.46 O ATOM 1187 CB ALA A 79 13.545 9.614 9.734 1.00 0.65 C ATOM 0 H ALA A 79 13.774 8.268 7.629 1.00 0.47 H new ATOM 0 HA ALA A 79 15.174 8.296 10.172 1.00 0.51 H new ATOM 0 HB1 ALA A 79 13.385 9.900 10.774 1.00 0.65 H new ATOM 0 HB2 ALA A 79 14.191 10.347 9.252 1.00 0.65 H new ATOM 0 HB3 ALA A 79 12.587 9.578 9.216 1.00 0.65 H new ATOM 1193 N GLY A 80 13.150 6.065 9.806 1.00 0.41 N ATOM 1194 CA GLY A 80 12.385 5.002 10.429 1.00 0.42 C ATOM 1195 C GLY A 80 12.981 4.548 11.747 1.00 0.46 C ATOM 1196 O GLY A 80 12.256 4.191 12.673 1.00 0.60 O ATOM 0 H GLY A 80 13.500 5.846 8.873 1.00 0.41 H new ATOM 0 HA2 GLY A 80 11.364 5.344 10.595 1.00 0.42 H new ATOM 0 HA3 GLY A 80 12.330 4.153 9.748 1.00 0.42 H new ATOM 1200 N GLY A 81 14.306 4.584 11.838 1.00 0.49 N ATOM 1201 CA GLY A 81 14.979 4.138 13.043 1.00 0.63 C ATOM 1202 C GLY A 81 15.724 2.840 12.818 1.00 0.64 C ATOM 1203 O GLY A 81 15.571 1.884 13.580 1.00 1.10 O ATOM 0 H GLY A 81 14.926 4.914 11.098 1.00 0.49 H new ATOM 0 HA2 GLY A 81 15.677 4.906 13.376 1.00 0.63 H new ATOM 0 HA3 GLY A 81 14.248 4.005 13.841 1.00 0.63 H new ATOM 1207 N ASP A 82 16.521 2.816 11.751 1.00 0.43 N ATOM 1208 CA ASP A 82 17.289 1.637 11.339 1.00 0.44 C ATOM 1209 C ASP A 82 16.396 0.499 10.855 1.00 0.39 C ATOM 1210 O ASP A 82 16.881 -0.578 10.506 1.00 0.55 O ATOM 1211 CB ASP A 82 18.234 1.156 12.441 1.00 0.55 C ATOM 1212 CG ASP A 82 19.439 2.062 12.575 1.00 1.41 C ATOM 1213 OD1 ASP A 82 20.182 2.213 11.580 1.00 2.12 O ATOM 1214 OD2 ASP A 82 19.650 2.635 13.666 1.00 1.97 O ATOM 0 H ASP A 82 16.655 3.622 11.140 1.00 0.43 H new ATOM 0 HA ASP A 82 17.897 1.954 10.492 1.00 0.44 H new ATOM 0 HB2 ASP A 82 17.699 1.119 13.390 1.00 0.55 H new ATOM 0 HB3 ASP A 82 18.564 0.141 12.221 1.00 0.55 H new ATOM 1219 N GLU A 83 15.099 0.742 10.845 1.00 0.38 N ATOM 1220 CA GLU A 83 14.149 -0.143 10.199 1.00 0.39 C ATOM 1221 C GLU A 83 12.952 0.672 9.743 1.00 0.38 C ATOM 1222 O GLU A 83 12.675 1.737 10.298 1.00 0.53 O ATOM 1223 CB GLU A 83 13.732 -1.297 11.126 1.00 0.47 C ATOM 1224 CG GLU A 83 13.003 -0.885 12.397 1.00 0.86 C ATOM 1225 CD GLU A 83 11.496 -0.780 12.216 1.00 1.62 C ATOM 1226 OE1 GLU A 83 10.866 -1.772 11.784 1.00 2.11 O ATOM 1227 OE2 GLU A 83 10.929 0.289 12.527 1.00 2.00 O ATOM 0 H GLU A 83 14.675 1.559 11.285 1.00 0.38 H new ATOM 0 HA GLU A 83 14.619 -0.604 9.330 1.00 0.39 H new ATOM 0 HB2 GLU A 83 13.092 -1.978 10.565 1.00 0.47 H new ATOM 0 HB3 GLU A 83 14.625 -1.857 11.405 1.00 0.47 H new ATOM 0 HG2 GLU A 83 13.219 -1.609 13.183 1.00 0.86 H new ATOM 0 HG3 GLU A 83 13.390 0.076 12.735 1.00 0.86 H new ATOM 1234 N THR A 84 12.265 0.198 8.728 1.00 0.27 N ATOM 1235 CA THR A 84 11.139 0.924 8.186 1.00 0.26 C ATOM 1236 C THR A 84 10.030 -0.043 7.798 1.00 0.22 C ATOM 1237 O THR A 84 10.288 -1.192 7.428 1.00 0.21 O ATOM 1238 CB THR A 84 11.555 1.783 6.968 1.00 0.30 C ATOM 1239 OG1 THR A 84 10.459 2.599 6.531 1.00 0.32 O ATOM 1240 CG2 THR A 84 12.032 0.911 5.816 1.00 0.30 C ATOM 0 H THR A 84 12.466 -0.687 8.262 1.00 0.27 H new ATOM 0 HA THR A 84 10.770 1.599 8.958 1.00 0.26 H new ATOM 0 HB THR A 84 12.379 2.424 7.283 1.00 0.30 H new ATOM 0 HG1 THR A 84 9.908 2.847 7.302 1.00 0.32 H new ATOM 0 HG21 THR A 84 12.317 1.543 4.975 1.00 0.30 H new ATOM 0 HG22 THR A 84 12.892 0.323 6.136 1.00 0.30 H new ATOM 0 HG23 THR A 84 11.229 0.241 5.510 1.00 0.30 H new ATOM 1248 N LYS A 85 8.798 0.412 7.917 1.00 0.24 N ATOM 1249 CA LYS A 85 7.653 -0.408 7.585 1.00 0.23 C ATOM 1250 C LYS A 85 6.872 0.244 6.457 1.00 0.23 C ATOM 1251 O LYS A 85 6.339 1.340 6.618 1.00 0.26 O ATOM 1252 CB LYS A 85 6.763 -0.578 8.814 1.00 0.28 C ATOM 1253 CG LYS A 85 7.531 -0.942 10.077 1.00 0.37 C ATOM 1254 CD LYS A 85 6.626 -0.948 11.294 1.00 0.50 C ATOM 1255 CE LYS A 85 7.423 -0.880 12.587 1.00 0.78 C ATOM 1256 NZ LYS A 85 8.357 -2.026 12.750 1.00 1.63 N ATOM 0 H LYS A 85 8.565 1.350 8.243 1.00 0.24 H new ATOM 0 HA LYS A 85 7.993 -1.392 7.261 1.00 0.23 H new ATOM 0 HB2 LYS A 85 6.215 0.348 8.986 1.00 0.28 H new ATOM 0 HB3 LYS A 85 6.024 -1.353 8.612 1.00 0.28 H new ATOM 0 HG2 LYS A 85 7.987 -1.925 9.956 1.00 0.37 H new ATOM 0 HG3 LYS A 85 8.342 -0.230 10.229 1.00 0.37 H new ATOM 0 HD2 LYS A 85 5.942 -0.101 11.243 1.00 0.50 H new ATOM 0 HD3 LYS A 85 6.016 -1.851 11.290 1.00 0.50 H new ATOM 0 HE2 LYS A 85 7.990 0.051 12.610 1.00 0.78 H new ATOM 0 HE3 LYS A 85 6.735 -0.855 13.432 1.00 0.78 H new ATOM 0 HZ1 LYS A 85 8.629 -2.113 13.750 1.00 1.63 H new ATOM 0 HZ2 LYS A 85 7.889 -2.902 12.441 1.00 1.63 H new ATOM 0 HZ3 LYS A 85 9.207 -1.866 12.173 1.00 1.63 H new ATOM 1270 N LEU A 86 6.799 -0.430 5.329 1.00 0.22 N ATOM 1271 CA LEU A 86 6.136 0.117 4.163 1.00 0.22 C ATOM 1272 C LEU A 86 4.807 -0.579 3.944 1.00 0.22 C ATOM 1273 O LEU A 86 4.729 -1.806 3.957 1.00 0.27 O ATOM 1274 CB LEU A 86 7.016 -0.038 2.921 1.00 0.24 C ATOM 1275 CG LEU A 86 8.384 0.646 2.999 1.00 0.25 C ATOM 1276 CD1 LEU A 86 9.174 0.399 1.723 1.00 0.28 C ATOM 1277 CD2 LEU A 86 8.224 2.137 3.242 1.00 0.28 C ATOM 0 H LEU A 86 7.192 -1.361 5.194 1.00 0.22 H new ATOM 0 HA LEU A 86 5.959 1.179 4.334 1.00 0.22 H new ATOM 0 HB2 LEU A 86 7.170 -1.101 2.735 1.00 0.24 H new ATOM 0 HB3 LEU A 86 6.477 0.361 2.062 1.00 0.24 H new ATOM 0 HG LEU A 86 8.934 0.218 3.837 1.00 0.25 H new ATOM 0 HD11 LEU A 86 10.144 0.892 1.794 1.00 0.28 H new ATOM 0 HD12 LEU A 86 9.320 -0.673 1.587 1.00 0.28 H new ATOM 0 HD13 LEU A 86 8.625 0.801 0.871 1.00 0.28 H new ATOM 0 HD21 LEU A 86 9.207 2.605 3.294 1.00 0.28 H new ATOM 0 HD22 LEU A 86 7.654 2.580 2.425 1.00 0.28 H new ATOM 0 HD23 LEU A 86 7.695 2.298 4.182 1.00 0.28 H new ATOM 1289 N LEU A 87 3.767 0.201 3.745 1.00 0.20 N ATOM 1290 CA LEU A 87 2.453 -0.349 3.487 1.00 0.21 C ATOM 1291 C LEU A 87 2.145 -0.214 2.010 1.00 0.21 C ATOM 1292 O LEU A 87 2.071 0.897 1.484 1.00 0.26 O ATOM 1293 CB LEU A 87 1.385 0.380 4.300 1.00 0.27 C ATOM 1294 CG LEU A 87 -0.013 -0.220 4.192 1.00 0.39 C ATOM 1295 CD1 LEU A 87 -0.123 -1.468 5.048 1.00 0.51 C ATOM 1296 CD2 LEU A 87 -1.064 0.800 4.586 1.00 0.45 C ATOM 0 H LEU A 87 3.805 1.220 3.757 1.00 0.20 H new ATOM 0 HA LEU A 87 2.447 -1.399 3.780 1.00 0.21 H new ATOM 0 HB2 LEU A 87 1.685 0.384 5.348 1.00 0.27 H new ATOM 0 HB3 LEU A 87 1.346 1.420 3.975 1.00 0.27 H new ATOM 0 HG LEU A 87 -0.188 -0.502 3.154 1.00 0.39 H new ATOM 0 HD11 LEU A 87 -1.127 -1.883 4.959 1.00 0.51 H new ATOM 0 HD12 LEU A 87 0.606 -2.205 4.711 1.00 0.51 H new ATOM 0 HD13 LEU A 87 0.073 -1.213 6.089 1.00 0.51 H new ATOM 0 HD21 LEU A 87 -2.054 0.353 4.502 1.00 0.45 H new ATOM 0 HD22 LEU A 87 -0.895 1.118 5.615 1.00 0.45 H new ATOM 0 HD23 LEU A 87 -0.999 1.664 3.924 1.00 0.45 H new ATOM 1308 N VAL A 88 1.976 -1.340 1.341 1.00 0.20 N ATOM 1309 CA VAL A 88 1.789 -1.338 -0.099 1.00 0.23 C ATOM 1310 C VAL A 88 0.536 -2.099 -0.505 1.00 0.24 C ATOM 1311 O VAL A 88 0.088 -3.013 0.196 1.00 0.27 O ATOM 1312 CB VAL A 88 3.010 -1.933 -0.837 1.00 0.28 C ATOM 1313 CG1 VAL A 88 4.225 -1.031 -0.681 1.00 0.31 C ATOM 1314 CG2 VAL A 88 3.320 -3.336 -0.333 1.00 0.33 C ATOM 0 H VAL A 88 1.964 -2.265 1.770 1.00 0.20 H new ATOM 0 HA VAL A 88 1.677 -0.294 -0.390 1.00 0.23 H new ATOM 0 HB VAL A 88 2.763 -1.999 -1.897 1.00 0.28 H new ATOM 0 HG11 VAL A 88 5.073 -1.468 -1.208 1.00 0.31 H new ATOM 0 HG12 VAL A 88 4.005 -0.049 -1.100 1.00 0.31 H new ATOM 0 HG13 VAL A 88 4.469 -0.928 0.376 1.00 0.31 H new ATOM 0 HG21 VAL A 88 4.183 -3.732 -0.868 1.00 0.33 H new ATOM 0 HG22 VAL A 88 3.540 -3.299 0.734 1.00 0.33 H new ATOM 0 HG23 VAL A 88 2.459 -3.982 -0.504 1.00 0.33 H new ATOM 1324 N VAL A 89 -0.028 -1.691 -1.629 1.00 0.24 N ATOM 1325 CA VAL A 89 -1.225 -2.309 -2.180 1.00 0.27 C ATOM 1326 C VAL A 89 -0.982 -2.694 -3.633 1.00 0.34 C ATOM 1327 O VAL A 89 -0.198 -2.042 -4.327 1.00 0.42 O ATOM 1328 CB VAL A 89 -2.440 -1.349 -2.113 1.00 0.25 C ATOM 1329 CG1 VAL A 89 -2.797 -1.023 -0.675 1.00 0.29 C ATOM 1330 CG2 VAL A 89 -2.165 -0.069 -2.888 1.00 0.30 C ATOM 0 H VAL A 89 0.332 -0.918 -2.189 1.00 0.24 H new ATOM 0 HA VAL A 89 -1.447 -3.194 -1.584 1.00 0.27 H new ATOM 0 HB VAL A 89 -3.288 -1.857 -2.573 1.00 0.25 H new ATOM 0 HG11 VAL A 89 -3.653 -0.348 -0.657 1.00 0.29 H new ATOM 0 HG12 VAL A 89 -3.048 -1.942 -0.145 1.00 0.29 H new ATOM 0 HG13 VAL A 89 -1.947 -0.545 -0.189 1.00 0.29 H new ATOM 0 HG21 VAL A 89 -3.033 0.588 -2.826 1.00 0.30 H new ATOM 0 HG22 VAL A 89 -1.297 0.435 -2.462 1.00 0.30 H new ATOM 0 HG23 VAL A 89 -1.968 -0.311 -3.932 1.00 0.30 H new ATOM 1340 N ASP A 90 -1.635 -3.759 -4.087 1.00 0.41 N ATOM 1341 CA ASP A 90 -1.541 -4.158 -5.486 1.00 0.51 C ATOM 1342 C ASP A 90 -2.557 -3.370 -6.302 1.00 0.48 C ATOM 1343 O ASP A 90 -3.356 -2.624 -5.736 1.00 0.45 O ATOM 1344 CB ASP A 90 -1.770 -5.665 -5.663 1.00 0.68 C ATOM 1345 CG ASP A 90 -3.238 -6.046 -5.657 1.00 1.20 C ATOM 1346 OD1 ASP A 90 -3.786 -6.286 -4.565 1.00 1.92 O ATOM 1347 OD2 ASP A 90 -3.843 -6.104 -6.749 1.00 1.86 O ATOM 0 H ASP A 90 -2.230 -4.356 -3.512 1.00 0.41 H new ATOM 0 HA ASP A 90 -0.533 -3.940 -5.839 1.00 0.51 H new ATOM 0 HB2 ASP A 90 -1.320 -5.987 -6.602 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -1.258 -6.201 -4.864 1.00 0.68 H new ATOM 1352 N ARG A 91 -2.549 -3.548 -7.613 1.00 0.57 N ATOM 1353 CA ARG A 91 -3.373 -2.730 -8.493 1.00 0.61 C ATOM 1354 C ARG A 91 -4.863 -2.875 -8.177 1.00 0.55 C ATOM 1355 O ARG A 91 -5.579 -1.875 -8.108 1.00 0.55 O ATOM 1356 CB ARG A 91 -3.116 -3.087 -9.956 1.00 0.75 C ATOM 1357 CG ARG A 91 -3.763 -2.118 -10.932 1.00 0.82 C ATOM 1358 CD ARG A 91 -3.251 -0.700 -10.728 1.00 1.44 C ATOM 1359 NE ARG A 91 -1.801 -0.616 -10.903 1.00 2.25 N ATOM 1360 CZ ARG A 91 -1.145 0.499 -11.211 1.00 3.13 C ATOM 1361 NH1 ARG A 91 -1.794 1.650 -11.361 1.00 3.39 N ATOM 1362 NH2 ARG A 91 0.170 0.463 -11.363 1.00 4.16 N ATOM 0 H ARG A 91 -1.983 -4.249 -8.092 1.00 0.57 H new ATOM 0 HA ARG A 91 -3.093 -1.691 -8.321 1.00 0.61 H new ATOM 0 HB2 ARG A 91 -2.041 -3.108 -10.134 1.00 0.75 H new ATOM 0 HB3 ARG A 91 -3.491 -4.092 -10.149 1.00 0.75 H new ATOM 0 HG2 ARG A 91 -3.558 -2.437 -11.954 1.00 0.82 H new ATOM 0 HG3 ARG A 91 -4.845 -2.138 -10.803 1.00 0.82 H new ATOM 0 HD2 ARG A 91 -3.742 -0.031 -11.435 1.00 1.44 H new ATOM 0 HD3 ARG A 91 -3.517 -0.358 -9.728 1.00 1.44 H new ATOM 0 HE ARG A 91 -1.257 -1.470 -10.781 1.00 2.25 H new ATOM 0 HH11 ARG A 91 -2.806 1.684 -11.240 1.00 3.39 H new ATOM 0 HH12 ARG A 91 -1.280 2.498 -11.597 1.00 3.39 H new ATOM 0 HH21 ARG A 91 0.673 -0.416 -11.244 1.00 4.16 H new ATOM 0 HH22 ARG A 91 0.680 1.314 -11.599 1.00 4.16 H new ATOM 1376 N GLU A 92 -5.322 -4.105 -7.956 1.00 0.57 N ATOM 1377 CA GLU A 92 -6.745 -4.348 -7.737 1.00 0.61 C ATOM 1378 C GLU A 92 -7.174 -3.741 -6.409 1.00 0.51 C ATOM 1379 O GLU A 92 -8.281 -3.217 -6.280 1.00 0.56 O ATOM 1380 CB GLU A 92 -7.063 -5.849 -7.773 1.00 0.74 C ATOM 1381 CG GLU A 92 -8.551 -6.159 -7.806 1.00 1.44 C ATOM 1382 CD GLU A 92 -8.838 -7.591 -8.206 1.00 1.98 C ATOM 1383 OE1 GLU A 92 -8.829 -7.880 -9.424 1.00 2.68 O ATOM 1384 OE2 GLU A 92 -9.096 -8.430 -7.316 1.00 2.26 O ATOM 0 H GLU A 92 -4.737 -4.940 -7.924 1.00 0.57 H new ATOM 0 HA GLU A 92 -7.304 -3.872 -8.543 1.00 0.61 H new ATOM 0 HB2 GLU A 92 -6.590 -6.291 -8.650 1.00 0.74 H new ATOM 0 HB3 GLU A 92 -6.621 -6.326 -6.898 1.00 0.74 H new ATOM 0 HG2 GLU A 92 -8.980 -5.967 -6.823 1.00 1.44 H new ATOM 0 HG3 GLU A 92 -9.044 -5.484 -8.506 1.00 1.44 H new ATOM 1391 N THR A 93 -6.278 -3.800 -5.437 1.00 0.44 N ATOM 1392 CA THR A 93 -6.513 -3.196 -4.137 1.00 0.38 C ATOM 1393 C THR A 93 -6.511 -1.669 -4.238 1.00 0.33 C ATOM 1394 O THR A 93 -7.378 -1.002 -3.672 1.00 0.37 O ATOM 1395 CB THR A 93 -5.448 -3.650 -3.125 1.00 0.36 C ATOM 1396 OG1 THR A 93 -5.459 -5.079 -3.024 1.00 0.47 O ATOM 1397 CG2 THR A 93 -5.700 -3.049 -1.753 1.00 0.36 C ATOM 0 H THR A 93 -5.374 -4.264 -5.526 1.00 0.44 H new ATOM 0 HA THR A 93 -7.493 -3.524 -3.790 1.00 0.38 H new ATOM 0 HB THR A 93 -4.476 -3.306 -3.479 1.00 0.36 H new ATOM 0 HG1 THR A 93 -5.117 -5.468 -3.856 1.00 0.47 H new ATOM 0 HG21 THR A 93 -4.930 -3.389 -1.060 1.00 0.36 H new ATOM 0 HG22 THR A 93 -5.672 -1.962 -1.821 1.00 0.36 H new ATOM 0 HG23 THR A 93 -6.679 -3.365 -1.392 1.00 0.36 H new ATOM 1405 N ASP A 94 -5.539 -1.125 -4.970 1.00 0.33 N ATOM 1406 CA ASP A 94 -5.441 0.321 -5.177 1.00 0.39 C ATOM 1407 C ASP A 94 -6.716 0.840 -5.837 1.00 0.43 C ATOM 1408 O ASP A 94 -7.316 1.809 -5.375 1.00 0.50 O ATOM 1409 CB ASP A 94 -4.207 0.648 -6.034 1.00 0.48 C ATOM 1410 CG ASP A 94 -3.976 2.141 -6.233 1.00 0.71 C ATOM 1411 OD1 ASP A 94 -4.360 2.945 -5.356 1.00 0.77 O ATOM 1412 OD2 ASP A 94 -3.383 2.520 -7.267 1.00 1.18 O ATOM 0 H ASP A 94 -4.806 -1.665 -5.431 1.00 0.33 H new ATOM 0 HA ASP A 94 -5.328 0.816 -4.212 1.00 0.39 H new ATOM 0 HB2 ASP A 94 -3.325 0.212 -5.565 1.00 0.48 H new ATOM 0 HB3 ASP A 94 -4.317 0.173 -7.009 1.00 0.48 H new ATOM 1417 N GLU A 95 -7.149 0.154 -6.893 1.00 0.43 N ATOM 1418 CA GLU A 95 -8.401 0.491 -7.573 1.00 0.49 C ATOM 1419 C GLU A 95 -9.592 0.357 -6.619 1.00 0.45 C ATOM 1420 O GLU A 95 -10.519 1.169 -6.647 1.00 0.50 O ATOM 1421 CB GLU A 95 -8.611 -0.411 -8.798 1.00 0.60 C ATOM 1422 CG GLU A 95 -7.601 -0.197 -9.915 1.00 0.72 C ATOM 1423 CD GLU A 95 -7.655 1.201 -10.497 1.00 1.17 C ATOM 1424 OE1 GLU A 95 -8.644 1.528 -11.190 1.00 1.23 O ATOM 1425 OE2 GLU A 95 -6.706 1.976 -10.282 1.00 1.94 O ATOM 0 H GLU A 95 -6.652 -0.639 -7.298 1.00 0.43 H new ATOM 0 HA GLU A 95 -8.333 1.527 -7.905 1.00 0.49 H new ATOM 0 HB2 GLU A 95 -8.567 -1.452 -8.479 1.00 0.60 H new ATOM 0 HB3 GLU A 95 -9.613 -0.240 -9.192 1.00 0.60 H new ATOM 0 HG2 GLU A 95 -6.598 -0.388 -9.533 1.00 0.72 H new ATOM 0 HG3 GLU A 95 -7.784 -0.923 -10.708 1.00 0.72 H new ATOM 1432 N PHE A 96 -9.546 -0.661 -5.761 1.00 0.41 N ATOM 1433 CA PHE A 96 -10.613 -0.915 -4.796 1.00 0.41 C ATOM 1434 C PHE A 96 -10.755 0.255 -3.831 1.00 0.36 C ATOM 1435 O PHE A 96 -11.862 0.742 -3.584 1.00 0.40 O ATOM 1436 CB PHE A 96 -10.325 -2.211 -4.021 1.00 0.44 C ATOM 1437 CG PHE A 96 -11.224 -2.444 -2.836 1.00 0.51 C ATOM 1438 CD1 PHE A 96 -12.504 -2.944 -3.006 1.00 0.63 C ATOM 1439 CD2 PHE A 96 -10.780 -2.172 -1.551 1.00 0.52 C ATOM 1440 CE1 PHE A 96 -13.326 -3.164 -1.916 1.00 0.73 C ATOM 1441 CE2 PHE A 96 -11.597 -2.389 -0.458 1.00 0.62 C ATOM 1442 CZ PHE A 96 -12.872 -2.887 -0.642 1.00 0.72 C ATOM 0 H PHE A 96 -8.775 -1.327 -5.715 1.00 0.41 H new ATOM 0 HA PHE A 96 -11.551 -1.028 -5.339 1.00 0.41 H new ATOM 0 HB2 PHE A 96 -10.419 -3.056 -4.703 1.00 0.44 H new ATOM 0 HB3 PHE A 96 -9.291 -2.192 -3.678 1.00 0.44 H new ATOM 0 HD1 PHE A 96 -12.864 -3.164 -4.000 1.00 0.63 H new ATOM 0 HD2 PHE A 96 -9.783 -1.785 -1.402 1.00 0.52 H new ATOM 0 HE1 PHE A 96 -14.323 -3.553 -2.061 1.00 0.73 H new ATOM 0 HE2 PHE A 96 -11.240 -2.170 0.537 1.00 0.62 H new ATOM 0 HZ PHE A 96 -13.513 -3.060 0.210 1.00 0.72 H new ATOM 1452 N PHE A 97 -9.633 0.699 -3.291 1.00 0.32 N ATOM 1453 CA PHE A 97 -9.627 1.823 -2.369 1.00 0.32 C ATOM 1454 C PHE A 97 -10.010 3.131 -3.065 1.00 0.39 C ATOM 1455 O PHE A 97 -10.711 3.960 -2.480 1.00 0.44 O ATOM 1456 CB PHE A 97 -8.274 1.929 -1.659 1.00 0.30 C ATOM 1457 CG PHE A 97 -8.154 0.970 -0.503 1.00 0.29 C ATOM 1458 CD1 PHE A 97 -7.695 -0.323 -0.689 1.00 0.37 C ATOM 1459 CD2 PHE A 97 -8.519 1.363 0.771 1.00 0.38 C ATOM 1460 CE1 PHE A 97 -7.607 -1.202 0.374 1.00 0.40 C ATOM 1461 CE2 PHE A 97 -8.431 0.492 1.836 1.00 0.41 C ATOM 1462 CZ PHE A 97 -7.975 -0.793 1.640 1.00 0.35 C ATOM 0 H PHE A 97 -8.713 0.298 -3.475 1.00 0.32 H new ATOM 0 HA PHE A 97 -10.389 1.640 -1.611 1.00 0.32 H new ATOM 0 HB2 PHE A 97 -7.475 1.733 -2.374 1.00 0.30 H new ATOM 0 HB3 PHE A 97 -8.135 2.948 -1.298 1.00 0.30 H new ATOM 0 HD1 PHE A 97 -7.402 -0.649 -1.676 1.00 0.37 H new ATOM 0 HD2 PHE A 97 -8.879 2.368 0.935 1.00 0.38 H new ATOM 0 HE1 PHE A 97 -7.250 -2.209 0.214 1.00 0.40 H new ATOM 0 HE2 PHE A 97 -8.720 0.817 2.825 1.00 0.41 H new ATOM 0 HZ PHE A 97 -7.906 -1.477 2.473 1.00 0.35 H new ATOM 1472 N LYS A 98 -9.570 3.309 -4.314 1.00 0.43 N ATOM 1473 CA LYS A 98 -9.908 4.513 -5.083 1.00 0.53 C ATOM 1474 C LYS A 98 -11.418 4.671 -5.234 1.00 0.56 C ATOM 1475 O LYS A 98 -11.979 5.726 -4.937 1.00 0.61 O ATOM 1476 CB LYS A 98 -9.310 4.453 -6.488 1.00 0.63 C ATOM 1477 CG LYS A 98 -7.797 4.484 -6.550 1.00 0.85 C ATOM 1478 CD LYS A 98 -7.320 4.486 -7.994 1.00 1.13 C ATOM 1479 CE LYS A 98 -5.829 4.232 -8.107 1.00 1.31 C ATOM 1480 NZ LYS A 98 -5.034 5.187 -7.296 1.00 1.92 N ATOM 0 H LYS A 98 -8.983 2.640 -4.813 1.00 0.43 H new ATOM 0 HA LYS A 98 -9.497 5.358 -4.530 1.00 0.53 H new ATOM 0 HB2 LYS A 98 -9.658 3.542 -6.975 1.00 0.63 H new ATOM 0 HB3 LYS A 98 -9.698 5.292 -7.066 1.00 0.63 H new ATOM 0 HG2 LYS A 98 -7.425 5.371 -6.037 1.00 0.85 H new ATOM 0 HG3 LYS A 98 -7.389 3.619 -6.028 1.00 0.85 H new ATOM 0 HD2 LYS A 98 -7.860 3.722 -8.554 1.00 1.13 H new ATOM 0 HD3 LYS A 98 -7.559 5.446 -8.452 1.00 1.13 H new ATOM 0 HE2 LYS A 98 -5.610 3.214 -7.784 1.00 1.31 H new ATOM 0 HE3 LYS A 98 -5.528 4.307 -9.152 1.00 1.31 H new ATOM 0 HZ1 LYS A 98 -4.212 5.509 -7.846 1.00 1.92 H new ATOM 0 HZ2 LYS A 98 -5.625 6.005 -7.045 1.00 1.92 H new ATOM 0 HZ3 LYS A 98 -4.707 4.717 -6.428 1.00 1.92 H new ATOM 1494 N LYS A 99 -12.067 3.604 -5.679 1.00 0.55 N ATOM 1495 CA LYS A 99 -13.494 3.640 -5.984 1.00 0.63 C ATOM 1496 C LYS A 99 -14.331 3.739 -4.714 1.00 0.63 C ATOM 1497 O LYS A 99 -15.414 4.316 -4.721 1.00 0.75 O ATOM 1498 CB LYS A 99 -13.897 2.396 -6.775 1.00 0.66 C ATOM 1499 CG LYS A 99 -13.601 1.108 -6.039 1.00 0.60 C ATOM 1500 CD LYS A 99 -14.146 -0.101 -6.762 1.00 0.76 C ATOM 1501 CE LYS A 99 -14.074 -1.327 -5.878 1.00 1.62 C ATOM 1502 NZ LYS A 99 -14.885 -1.162 -4.641 1.00 2.04 N ATOM 0 H LYS A 99 -11.627 2.698 -5.838 1.00 0.55 H new ATOM 0 HA LYS A 99 -13.683 4.528 -6.586 1.00 0.63 H new ATOM 0 HB2 LYS A 99 -14.963 2.444 -6.999 1.00 0.66 H new ATOM 0 HB3 LYS A 99 -13.370 2.392 -7.729 1.00 0.66 H new ATOM 0 HG2 LYS A 99 -12.523 1.001 -5.917 1.00 0.60 H new ATOM 0 HG3 LYS A 99 -14.032 1.156 -5.039 1.00 0.60 H new ATOM 0 HD2 LYS A 99 -15.179 0.081 -7.058 1.00 0.76 H new ATOM 0 HD3 LYS A 99 -13.578 -0.271 -7.676 1.00 0.76 H new ATOM 0 HE2 LYS A 99 -14.428 -2.196 -6.432 1.00 1.62 H new ATOM 0 HE3 LYS A 99 -13.036 -1.521 -5.609 1.00 1.62 H new ATOM 0 HZ1 LYS A 99 -15.151 -2.098 -4.273 1.00 2.04 H new ATOM 0 HZ2 LYS A 99 -14.327 -0.654 -3.925 1.00 2.04 H new ATOM 0 HZ3 LYS A 99 -15.745 -0.619 -4.859 1.00 2.04 H new ATOM 1516 N CYS A 100 -13.839 3.150 -3.634 1.00 0.55 N ATOM 1517 CA CYS A 100 -14.529 3.222 -2.351 1.00 0.60 C ATOM 1518 C CYS A 100 -14.217 4.536 -1.615 1.00 0.61 C ATOM 1519 O CYS A 100 -14.808 4.834 -0.575 1.00 0.68 O ATOM 1520 CB CYS A 100 -14.147 2.018 -1.487 1.00 0.60 C ATOM 1521 SG CYS A 100 -15.119 1.852 0.029 1.00 1.39 S ATOM 0 H CYS A 100 -12.968 2.619 -3.618 1.00 0.55 H new ATOM 0 HA CYS A 100 -15.602 3.201 -2.541 1.00 0.60 H new ATOM 0 HB2 CYS A 100 -14.261 1.110 -2.079 1.00 0.60 H new ATOM 0 HB3 CYS A 100 -13.093 2.096 -1.222 1.00 0.60 H new ATOM 0 HG CYS A 100 -15.434 3.032 0.474 1.00 1.39 H new ATOM 1527 N ARG A 101 -13.284 5.312 -2.184 1.00 0.59 N ATOM 1528 CA ARG A 101 -12.855 6.603 -1.626 1.00 0.65 C ATOM 1529 C ARG A 101 -12.350 6.458 -0.195 1.00 0.64 C ATOM 1530 O ARG A 101 -12.615 7.308 0.655 1.00 0.75 O ATOM 1531 CB ARG A 101 -13.981 7.646 -1.664 1.00 0.77 C ATOM 1532 CG ARG A 101 -14.364 8.127 -3.059 1.00 0.79 C ATOM 1533 CD ARG A 101 -15.336 7.180 -3.736 1.00 1.19 C ATOM 1534 NE ARG A 101 -16.524 6.941 -2.917 1.00 2.14 N ATOM 1535 CZ ARG A 101 -17.738 6.715 -3.414 1.00 3.08 C ATOM 1536 NH1 ARG A 101 -17.935 6.728 -4.727 1.00 3.37 N ATOM 1537 NH2 ARG A 101 -18.757 6.477 -2.597 1.00 4.09 N ATOM 0 H ARG A 101 -12.803 5.061 -3.048 1.00 0.59 H new ATOM 0 HA ARG A 101 -12.036 6.950 -2.257 1.00 0.65 H new ATOM 0 HB2 ARG A 101 -14.865 7.223 -1.186 1.00 0.77 H new ATOM 0 HB3 ARG A 101 -13.679 8.508 -1.069 1.00 0.77 H new ATOM 0 HG2 ARG A 101 -14.811 9.119 -2.991 1.00 0.79 H new ATOM 0 HG3 ARG A 101 -13.466 8.223 -3.669 1.00 0.79 H new ATOM 0 HD2 ARG A 101 -15.636 7.594 -4.698 1.00 1.19 H new ATOM 0 HD3 ARG A 101 -14.838 6.232 -3.938 1.00 1.19 H new ATOM 0 HE ARG A 101 -16.416 6.948 -1.903 1.00 2.14 H new ATOM 0 HH11 ARG A 101 -17.155 6.912 -5.358 1.00 3.37 H new ATOM 0 HH12 ARG A 101 -18.866 6.554 -5.105 1.00 3.37 H new ATOM 0 HH21 ARG A 101 -18.610 6.467 -1.588 1.00 4.09 H new ATOM 0 HH22 ARG A 101 -19.687 6.304 -2.979 1.00 4.09 H new ATOM 1551 N VAL A 102 -11.607 5.399 0.059 1.00 0.55 N ATOM 1552 CA VAL A 102 -11.119 5.120 1.398 1.00 0.57 C ATOM 1553 C VAL A 102 -9.603 4.930 1.386 1.00 0.49 C ATOM 1554 O VAL A 102 -9.044 4.414 0.419 1.00 0.46 O ATOM 1555 CB VAL A 102 -11.827 3.879 1.993 1.00 0.69 C ATOM 1556 CG1 VAL A 102 -11.689 2.678 1.070 1.00 0.89 C ATOM 1557 CG2 VAL A 102 -11.295 3.560 3.383 1.00 1.42 C ATOM 0 H VAL A 102 -11.327 4.716 -0.645 1.00 0.55 H new ATOM 0 HA VAL A 102 -11.350 5.975 2.033 1.00 0.57 H new ATOM 0 HB VAL A 102 -12.888 4.112 2.085 1.00 0.69 H new ATOM 0 HG11 VAL A 102 -12.195 1.820 1.512 1.00 0.89 H new ATOM 0 HG12 VAL A 102 -12.139 2.908 0.104 1.00 0.89 H new ATOM 0 HG13 VAL A 102 -10.633 2.445 0.932 1.00 0.89 H new ATOM 0 HG21 VAL A 102 -11.810 2.684 3.777 1.00 1.42 H new ATOM 0 HG22 VAL A 102 -10.226 3.357 3.326 1.00 1.42 H new ATOM 0 HG23 VAL A 102 -11.468 4.410 4.043 1.00 1.42 H new ATOM 1567 N ILE A 103 -8.943 5.368 2.453 1.00 0.54 N ATOM 1568 CA ILE A 103 -7.492 5.313 2.531 1.00 0.50 C ATOM 1569 C ILE A 103 -7.024 4.007 3.175 1.00 0.43 C ATOM 1570 O ILE A 103 -7.406 3.682 4.306 1.00 0.46 O ATOM 1571 CB ILE A 103 -6.927 6.515 3.329 1.00 0.61 C ATOM 1572 CG1 ILE A 103 -7.332 7.840 2.668 1.00 0.78 C ATOM 1573 CG2 ILE A 103 -5.410 6.420 3.449 1.00 0.62 C ATOM 1574 CD1 ILE A 103 -6.834 7.994 1.245 1.00 1.33 C ATOM 0 H ILE A 103 -9.394 5.766 3.277 1.00 0.54 H new ATOM 0 HA ILE A 103 -7.113 5.360 1.510 1.00 0.50 H new ATOM 0 HB ILE A 103 -7.351 6.486 4.333 1.00 0.61 H new ATOM 0 HG12 ILE A 103 -8.419 7.920 2.673 1.00 0.78 H new ATOM 0 HG13 ILE A 103 -6.949 8.666 3.268 1.00 0.78 H new ATOM 0 HG21 ILE A 103 -5.035 7.274 4.013 1.00 0.62 H new ATOM 0 HG22 ILE A 103 -5.143 5.498 3.966 1.00 0.62 H new ATOM 0 HG23 ILE A 103 -4.966 6.419 2.454 1.00 0.62 H new ATOM 0 HD11 ILE A 103 -7.161 8.955 0.847 1.00 1.33 H new ATOM 0 HD12 ILE A 103 -5.745 7.948 1.234 1.00 1.33 H new ATOM 0 HD13 ILE A 103 -7.238 7.190 0.629 1.00 1.33 H new ATOM 1586 N PRO A 104 -6.208 3.228 2.449 1.00 0.39 N ATOM 1587 CA PRO A 104 -5.610 2.004 2.981 1.00 0.37 C ATOM 1588 C PRO A 104 -4.635 2.312 4.108 1.00 0.37 C ATOM 1589 O PRO A 104 -3.866 3.265 4.028 1.00 0.45 O ATOM 1590 CB PRO A 104 -4.882 1.391 1.781 1.00 0.41 C ATOM 1591 CG PRO A 104 -4.693 2.511 0.813 1.00 0.53 C ATOM 1592 CD PRO A 104 -5.809 3.488 1.054 1.00 0.44 C ATOM 0 HA PRO A 104 -6.354 1.332 3.409 1.00 0.37 H new ATOM 0 HB2 PRO A 104 -3.924 0.965 2.079 1.00 0.41 H new ATOM 0 HB3 PRO A 104 -5.466 0.584 1.338 1.00 0.41 H new ATOM 0 HG2 PRO A 104 -3.724 2.988 0.959 1.00 0.53 H new ATOM 0 HG3 PRO A 104 -4.716 2.143 -0.213 1.00 0.53 H new ATOM 0 HD2 PRO A 104 -5.476 4.517 0.918 1.00 0.44 H new ATOM 0 HD3 PRO A 104 -6.638 3.327 0.364 1.00 0.44 H new ATOM 1600 N SER A 105 -4.670 1.507 5.159 1.00 0.32 N ATOM 1601 CA SER A 105 -3.856 1.773 6.329 1.00 0.34 C ATOM 1602 C SER A 105 -3.690 0.497 7.142 1.00 0.34 C ATOM 1603 O SER A 105 -4.247 -0.542 6.778 1.00 0.33 O ATOM 1604 CB SER A 105 -4.509 2.879 7.175 1.00 0.43 C ATOM 1605 OG SER A 105 -3.687 3.272 8.259 1.00 1.42 O ATOM 0 H SER A 105 -5.250 0.670 5.223 1.00 0.32 H new ATOM 0 HA SER A 105 -2.869 2.114 6.017 1.00 0.34 H new ATOM 0 HB2 SER A 105 -4.716 3.744 6.544 1.00 0.43 H new ATOM 0 HB3 SER A 105 -5.467 2.526 7.556 1.00 0.43 H new ATOM 0 HG SER A 105 -4.136 3.977 8.771 1.00 1.42 H new ATOM 1611 N GLN A 106 -2.935 0.579 8.230 1.00 0.39 N ATOM 1612 CA GLN A 106 -2.756 -0.544 9.147 1.00 0.43 C ATOM 1613 C GLN A 106 -4.106 -1.071 9.632 1.00 0.45 C ATOM 1614 O GLN A 106 -4.270 -2.260 9.895 1.00 0.50 O ATOM 1615 CB GLN A 106 -1.883 -0.123 10.332 1.00 0.52 C ATOM 1616 CG GLN A 106 -0.442 0.171 9.944 1.00 0.68 C ATOM 1617 CD GLN A 106 0.366 0.769 11.078 1.00 0.96 C ATOM 1618 OE1 GLN A 106 -0.161 1.495 11.920 1.00 1.66 O ATOM 1619 NE2 GLN A 106 1.655 0.464 11.115 1.00 1.42 N ATOM 0 H GLN A 106 -2.430 1.422 8.503 1.00 0.39 H new ATOM 0 HA GLN A 106 -2.254 -1.350 8.612 1.00 0.43 H new ATOM 0 HB2 GLN A 106 -2.315 0.764 10.796 1.00 0.52 H new ATOM 0 HB3 GLN A 106 -1.896 -0.913 11.083 1.00 0.52 H new ATOM 0 HG2 GLN A 106 0.035 -0.751 9.613 1.00 0.68 H new ATOM 0 HG3 GLN A 106 -0.432 0.857 9.097 1.00 0.68 H new ATOM 0 HE21 GLN A 106 2.057 -0.141 10.399 1.00 1.42 H new ATOM 0 HE22 GLN A 106 2.246 0.835 11.859 1.00 1.42 H new ATOM 1628 N GLU A 107 -5.076 -0.172 9.714 1.00 0.46 N ATOM 1629 CA GLU A 107 -6.439 -0.523 10.090 1.00 0.51 C ATOM 1630 C GLU A 107 -7.040 -1.558 9.125 1.00 0.42 C ATOM 1631 O GLU A 107 -7.844 -2.397 9.524 1.00 0.49 O ATOM 1632 CB GLU A 107 -7.279 0.763 10.149 1.00 0.59 C ATOM 1633 CG GLU A 107 -8.786 0.564 10.091 1.00 1.41 C ATOM 1634 CD GLU A 107 -9.334 0.761 8.690 1.00 2.16 C ATOM 1635 OE1 GLU A 107 -9.285 1.907 8.187 1.00 2.82 O ATOM 1636 OE2 GLU A 107 -9.807 -0.222 8.085 1.00 2.63 O ATOM 0 H GLU A 107 -4.941 0.821 9.522 1.00 0.46 H new ATOM 0 HA GLU A 107 -6.437 -0.992 11.074 1.00 0.51 H new ATOM 0 HB2 GLU A 107 -7.035 1.294 11.069 1.00 0.59 H new ATOM 0 HB3 GLU A 107 -6.983 1.408 9.322 1.00 0.59 H new ATOM 0 HG2 GLU A 107 -9.032 -0.439 10.438 1.00 1.41 H new ATOM 0 HG3 GLU A 107 -9.270 1.265 10.771 1.00 1.41 H new ATOM 1643 N HIS A 108 -6.613 -1.524 7.868 1.00 0.34 N ATOM 1644 CA HIS A 108 -7.164 -2.406 6.846 1.00 0.37 C ATOM 1645 C HIS A 108 -6.421 -3.734 6.760 1.00 0.46 C ATOM 1646 O HIS A 108 -6.903 -4.661 6.116 1.00 0.53 O ATOM 1647 CB HIS A 108 -7.158 -1.719 5.483 1.00 0.38 C ATOM 1648 CG HIS A 108 -8.247 -0.710 5.323 1.00 0.40 C ATOM 1649 ND1 HIS A 108 -8.025 0.647 5.364 1.00 0.52 N ATOM 1650 CD2 HIS A 108 -9.574 -0.866 5.114 1.00 0.52 C ATOM 1651 CE1 HIS A 108 -9.167 1.279 5.190 1.00 0.52 C ATOM 1652 NE2 HIS A 108 -10.129 0.389 5.038 1.00 0.52 N ATOM 0 H HIS A 108 -5.885 -0.894 7.532 1.00 0.34 H new ATOM 0 HA HIS A 108 -8.191 -2.623 7.140 1.00 0.37 H new ATOM 0 HB2 HIS A 108 -6.195 -1.230 5.335 1.00 0.38 H new ATOM 0 HB3 HIS A 108 -7.255 -2.474 4.703 1.00 0.38 H new ATOM 0 HD2 HIS A 108 -10.101 -1.804 5.023 1.00 0.52 H new ATOM 0 HE1 HIS A 108 -9.295 2.351 5.174 1.00 0.52 H new ATOM 0 HE2 HIS A 108 -11.116 0.597 4.889 1.00 0.52 H new ATOM 1661 N LEU A 109 -5.241 -3.807 7.381 1.00 0.52 N ATOM 1662 CA LEU A 109 -4.411 -5.017 7.347 1.00 0.70 C ATOM 1663 C LEU A 109 -5.230 -6.266 7.662 1.00 0.79 C ATOM 1664 O LEU A 109 -5.243 -7.223 6.889 1.00 1.24 O ATOM 1665 CB LEU A 109 -3.257 -4.890 8.343 1.00 0.96 C ATOM 1666 CG LEU A 109 -2.204 -3.842 7.988 1.00 0.44 C ATOM 1667 CD1 LEU A 109 -1.221 -3.667 9.140 1.00 0.84 C ATOM 1668 CD2 LEU A 109 -1.464 -4.248 6.726 1.00 0.67 C ATOM 0 H LEU A 109 -4.836 -3.039 7.916 1.00 0.52 H new ATOM 0 HA LEU A 109 -4.013 -5.119 6.338 1.00 0.70 H new ATOM 0 HB2 LEU A 109 -3.669 -4.650 9.323 1.00 0.96 H new ATOM 0 HB3 LEU A 109 -2.766 -5.859 8.432 1.00 0.96 H new ATOM 0 HG LEU A 109 -2.706 -2.891 7.810 1.00 0.44 H new ATOM 0 HD11 LEU A 109 -0.477 -2.917 8.872 1.00 0.84 H new ATOM 0 HD12 LEU A 109 -1.759 -3.343 10.031 1.00 0.84 H new ATOM 0 HD13 LEU A 109 -0.724 -4.616 9.341 1.00 0.84 H new ATOM 0 HD21 LEU A 109 -0.716 -3.493 6.484 1.00 0.67 H new ATOM 0 HD22 LEU A 109 -0.972 -5.208 6.885 1.00 0.67 H new ATOM 0 HD23 LEU A 109 -2.172 -4.336 5.902 1.00 0.67 H new ATOM 1680 N ASN A 110 -5.914 -6.255 8.795 1.00 1.37 N ATOM 1681 CA ASN A 110 -6.819 -7.344 9.135 1.00 1.67 C ATOM 1682 C ASN A 110 -8.151 -6.770 9.599 1.00 1.44 C ATOM 1683 O ASN A 110 -8.890 -7.380 10.376 1.00 1.77 O ATOM 1684 CB ASN A 110 -6.209 -8.264 10.201 1.00 2.17 C ATOM 1685 CG ASN A 110 -6.976 -9.570 10.351 1.00 2.95 C ATOM 1686 OD1 ASN A 110 -7.616 -10.044 9.410 1.00 3.70 O ATOM 1687 ND2 ASN A 110 -6.907 -10.169 11.529 1.00 3.35 N ATOM 0 H ASN A 110 -5.862 -5.511 9.491 1.00 1.37 H new ATOM 0 HA ASN A 110 -6.986 -7.953 8.247 1.00 1.67 H new ATOM 0 HB2 ASN A 110 -5.174 -8.482 9.939 1.00 2.17 H new ATOM 0 HB3 ASN A 110 -6.192 -7.744 11.159 1.00 2.17 H new ATOM 0 HD21 ASN A 110 -7.393 -11.053 11.681 1.00 3.35 H new ATOM 0 HD22 ASN A 110 -6.368 -9.747 12.285 1.00 3.35 H new ATOM 1694 N GLY A 111 -8.445 -5.575 9.113 1.00 1.12 N ATOM 1695 CA GLY A 111 -9.709 -4.946 9.407 1.00 1.12 C ATOM 1696 C GLY A 111 -10.695 -5.177 8.288 1.00 0.87 C ATOM 1697 O GLY A 111 -10.299 -5.602 7.200 1.00 0.93 O ATOM 0 H GLY A 111 -7.824 -5.028 8.516 1.00 1.12 H new ATOM 0 HA2 GLY A 111 -10.110 -5.344 10.339 1.00 1.12 H new ATOM 0 HA3 GLY A 111 -9.563 -3.876 9.554 1.00 1.12 H new ATOM 1701 N PRO A 112 -11.984 -4.919 8.516 1.00 0.86 N ATOM 1702 CA PRO A 112 -13.013 -5.132 7.500 1.00 0.93 C ATOM 1703 C PRO A 112 -12.890 -4.147 6.340 1.00 0.89 C ATOM 1704 O PRO A 112 -12.852 -2.931 6.548 1.00 1.31 O ATOM 1705 CB PRO A 112 -14.321 -4.904 8.263 1.00 1.25 C ATOM 1706 CG PRO A 112 -13.949 -4.016 9.399 1.00 1.30 C ATOM 1707 CD PRO A 112 -12.542 -4.393 9.775 1.00 1.10 C ATOM 0 HA PRO A 112 -12.940 -6.120 7.044 1.00 0.93 H new ATOM 0 HB2 PRO A 112 -15.074 -4.438 7.627 1.00 1.25 H new ATOM 0 HB3 PRO A 112 -14.741 -5.845 8.618 1.00 1.25 H new ATOM 0 HG2 PRO A 112 -14.008 -2.967 9.110 1.00 1.30 H new ATOM 0 HG3 PRO A 112 -14.628 -4.153 10.240 1.00 1.30 H new ATOM 0 HD2 PRO A 112 -11.978 -3.533 10.137 1.00 1.10 H new ATOM 0 HD3 PRO A 112 -12.524 -5.142 10.567 1.00 1.10 H new ATOM 1715 N LEU A 113 -12.793 -4.674 5.125 1.00 0.62 N ATOM 1716 CA LEU A 113 -12.784 -3.834 3.937 1.00 0.58 C ATOM 1717 C LEU A 113 -14.149 -3.173 3.780 1.00 0.69 C ATOM 1718 O LEU A 113 -15.179 -3.848 3.802 1.00 0.90 O ATOM 1719 CB LEU A 113 -12.437 -4.643 2.681 1.00 0.58 C ATOM 1720 CG LEU A 113 -11.080 -5.359 2.703 1.00 0.57 C ATOM 1721 CD1 LEU A 113 -10.794 -5.984 1.350 1.00 1.11 C ATOM 1722 CD2 LEU A 113 -9.957 -4.408 3.101 1.00 1.05 C ATOM 0 H LEU A 113 -12.720 -5.674 4.939 1.00 0.62 H new ATOM 0 HA LEU A 113 -12.016 -3.070 4.057 1.00 0.58 H new ATOM 0 HB2 LEU A 113 -13.217 -5.388 2.524 1.00 0.58 H new ATOM 0 HB3 LEU A 113 -12.459 -3.972 1.822 1.00 0.58 H new ATOM 0 HG LEU A 113 -11.127 -6.148 3.453 1.00 0.57 H new ATOM 0 HD11 LEU A 113 -9.828 -6.489 1.379 1.00 1.11 H new ATOM 0 HD12 LEU A 113 -11.574 -6.707 1.111 1.00 1.11 H new ATOM 0 HD13 LEU A 113 -10.774 -5.206 0.587 1.00 1.11 H new ATOM 0 HD21 LEU A 113 -9.009 -4.946 3.107 1.00 1.05 H new ATOM 0 HD22 LEU A 113 -9.904 -3.588 2.385 1.00 1.05 H new ATOM 0 HD23 LEU A 113 -10.154 -4.009 4.096 1.00 1.05 H new