USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=19 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 14 THR OG1 : rot 135:sc= 0.554 USER MOD Set 1.2: A 85 LYS NZ :NH3+ -165:sc= 1.28 (180deg=-0.0174) USER MOD Set 2.1: A 15 MET CE :methyl -115:sc= -3.47! (180deg=-2.71!) USER MOD Set 2.2: A 49 SER OG : rot -32:sc= 0.31 USER MOD Set 3.1: A 35 GLN : amide:sc= -1.07 K(o=-1.3,f=-4.6!) USER MOD Set 3.2: A 70 HIS : no HD1:sc= -0.198 K(o=-1.3,f=-2.4) USER MOD Single : A 13 CYS SG : rot 160:sc= -0.0418 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 1.29 (180deg=1.29) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0195 USER MOD Single : A 22 TYR OH : rot 172:sc= -0.853 USER MOD Single : A 25 ASN : amide:sc=-0.00302 K(o=-0.003,f=-2.7!) USER MOD Single : A 27 HIS : no HD1:sc= -0.764 K(o=-0.76,f=-0.25) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.126 USER MOD Single : A 44 SER OG : rot -122:sc= 1.51 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 61 ASN : amide:sc= -0.678 K(o=-0.68,f=0.48) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 170:sc= 0 (180deg=-0.0617) USER MOD Single : A 68 LYS NZ :NH3+ 144:sc= 1.27 (180deg=0.28) USER MOD Single : A 69 GLN : amide:sc= 0.657 K(o=0.66,f=-0.061) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -170:sc= 0 USER MOD Single : A 93 THR OG1 : rot -170:sc= -0.147 USER MOD Single : A 98 LYS NZ :NH3+ -179:sc= 2.26 (180deg=2.24) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 CYS SG : rot -32:sc= 0.018 USER MOD Single : A 105 SER OG : rot 180:sc= -0.129 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 110 ASN : amide:sc= 1.21 K(o=1.2,f=-0.004) USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 8 -8.251 -8.066 -1.286 1.00 0.80 N ATOM 107 CA LEU A 8 -8.227 -6.626 -1.503 1.00 0.56 C ATOM 108 C LEU A 8 -7.735 -5.897 -0.259 1.00 0.48 C ATOM 109 O LEU A 8 -8.260 -4.848 0.108 1.00 0.47 O ATOM 110 CB LEU A 8 -9.625 -6.131 -1.871 1.00 0.47 C ATOM 111 CG LEU A 8 -10.296 -6.879 -3.020 1.00 0.56 C ATOM 112 CD1 LEU A 8 -11.669 -6.302 -3.281 1.00 0.61 C ATOM 113 CD2 LEU A 8 -9.448 -6.812 -4.278 1.00 0.72 C ATOM 0 HA LEU A 8 -7.539 -6.415 -2.322 1.00 0.56 H new ATOM 0 HB2 LEU A 8 -10.263 -6.203 -0.990 1.00 0.47 H new ATOM 0 HB3 LEU A 8 -9.562 -5.075 -2.133 1.00 0.47 H new ATOM 0 HG LEU A 8 -10.399 -7.926 -2.736 1.00 0.56 H new ATOM 0 HD11 LEU A 8 -12.140 -6.842 -4.102 1.00 0.61 H new ATOM 0 HD12 LEU A 8 -12.281 -6.399 -2.384 1.00 0.61 H new ATOM 0 HD13 LEU A 8 -11.577 -5.248 -3.545 1.00 0.61 H new ATOM 0 HD21 LEU A 8 -9.947 -7.352 -5.082 1.00 0.72 H new ATOM 0 HD22 LEU A 8 -9.312 -5.771 -4.570 1.00 0.72 H new ATOM 0 HD23 LEU A 8 -8.475 -7.265 -4.086 1.00 0.72 H new ATOM 125 N ARG A 9 -6.722 -6.449 0.380 1.00 0.52 N ATOM 126 CA ARG A 9 -6.192 -5.877 1.602 1.00 0.51 C ATOM 127 C ARG A 9 -4.729 -5.506 1.411 1.00 0.43 C ATOM 128 O ARG A 9 -4.009 -6.163 0.655 1.00 0.47 O ATOM 129 CB ARG A 9 -6.368 -6.863 2.761 1.00 0.69 C ATOM 130 CG ARG A 9 -5.575 -8.154 2.616 1.00 1.15 C ATOM 131 CD ARG A 9 -6.049 -9.198 3.614 1.00 1.21 C ATOM 132 NE ARG A 9 -7.365 -9.731 3.261 1.00 1.84 N ATOM 133 CZ ARG A 9 -8.300 -10.081 4.146 1.00 2.23 C ATOM 134 NH1 ARG A 9 -8.080 -9.947 5.452 1.00 2.21 N ATOM 135 NH2 ARG A 9 -9.452 -10.575 3.716 1.00 3.09 N ATOM 0 H ARG A 9 -6.248 -7.297 0.071 1.00 0.52 H new ATOM 0 HA ARG A 9 -6.743 -4.968 1.844 1.00 0.51 H new ATOM 0 HB2 ARG A 9 -6.072 -6.372 3.688 1.00 0.69 H new ATOM 0 HB3 ARG A 9 -7.426 -7.109 2.855 1.00 0.69 H new ATOM 0 HG2 ARG A 9 -5.683 -8.539 1.602 1.00 1.15 H new ATOM 0 HG3 ARG A 9 -4.515 -7.953 2.770 1.00 1.15 H new ATOM 0 HD2 ARG A 9 -5.327 -10.013 3.657 1.00 1.21 H new ATOM 0 HD3 ARG A 9 -6.091 -8.756 4.609 1.00 1.21 H new ATOM 0 HE ARG A 9 -7.582 -9.843 2.271 1.00 1.84 H new ATOM 0 HH11 ARG A 9 -7.190 -9.574 5.784 1.00 2.21 H new ATOM 0 HH12 ARG A 9 -8.801 -10.217 6.121 1.00 2.21 H new ATOM 0 HH21 ARG A 9 -9.618 -10.685 2.716 1.00 3.09 H new ATOM 0 HH22 ARG A 9 -10.173 -10.845 4.385 1.00 3.09 H new ATOM 149 N PRO A 10 -4.277 -4.433 2.077 1.00 0.36 N ATOM 150 CA PRO A 10 -2.918 -3.939 1.947 1.00 0.30 C ATOM 151 C PRO A 10 -1.928 -4.859 2.634 1.00 0.28 C ATOM 152 O PRO A 10 -2.300 -5.722 3.430 1.00 0.38 O ATOM 153 CB PRO A 10 -2.943 -2.563 2.642 1.00 0.29 C ATOM 154 CG PRO A 10 -4.369 -2.303 2.991 1.00 0.47 C ATOM 155 CD PRO A 10 -5.051 -3.634 3.021 1.00 0.40 C ATOM 0 HA PRO A 10 -2.604 -3.882 0.905 1.00 0.30 H new ATOM 0 HB2 PRO A 10 -2.317 -2.566 3.535 1.00 0.29 H new ATOM 0 HB3 PRO A 10 -2.555 -1.786 1.983 1.00 0.29 H new ATOM 0 HG2 PRO A 10 -4.447 -1.806 3.958 1.00 0.47 H new ATOM 0 HG3 PRO A 10 -4.834 -1.646 2.256 1.00 0.47 H new ATOM 0 HD2 PRO A 10 -5.039 -4.069 4.020 1.00 0.40 H new ATOM 0 HD3 PRO A 10 -6.096 -3.557 2.720 1.00 0.40 H new ATOM 163 N ARG A 11 -0.673 -4.673 2.323 1.00 0.29 N ATOM 164 CA ARG A 11 0.380 -5.443 2.952 1.00 0.34 C ATOM 165 C ARG A 11 1.387 -4.524 3.624 1.00 0.27 C ATOM 166 O ARG A 11 1.847 -3.547 3.032 1.00 0.27 O ATOM 167 CB ARG A 11 1.055 -6.374 1.937 1.00 0.49 C ATOM 168 CG ARG A 11 1.276 -5.756 0.563 1.00 0.63 C ATOM 169 CD ARG A 11 1.752 -6.799 -0.439 1.00 1.00 C ATOM 170 NE ARG A 11 1.810 -6.278 -1.807 1.00 1.22 N ATOM 171 CZ ARG A 11 1.135 -6.797 -2.833 1.00 1.59 C ATOM 172 NH1 ARG A 11 0.307 -7.816 -2.647 1.00 1.95 N ATOM 173 NH2 ARG A 11 1.274 -6.291 -4.050 1.00 2.37 N ATOM 0 H ARG A 11 -0.349 -3.993 1.635 1.00 0.29 H new ATOM 0 HA ARG A 11 -0.064 -6.069 3.726 1.00 0.34 H new ATOM 0 HB2 ARG A 11 2.018 -6.691 2.338 1.00 0.49 H new ATOM 0 HB3 ARG A 11 0.446 -7.271 1.824 1.00 0.49 H new ATOM 0 HG2 ARG A 11 0.348 -5.306 0.210 1.00 0.63 H new ATOM 0 HG3 ARG A 11 2.012 -4.955 0.636 1.00 0.63 H new ATOM 0 HD2 ARG A 11 2.740 -7.154 -0.147 1.00 1.00 H new ATOM 0 HD3 ARG A 11 1.083 -7.659 -0.409 1.00 1.00 H new ATOM 0 HE ARG A 11 2.404 -5.468 -1.986 1.00 1.22 H new ATOM 0 HH11 ARG A 11 0.183 -8.208 -1.714 1.00 1.95 H new ATOM 0 HH12 ARG A 11 -0.206 -8.207 -3.437 1.00 1.95 H new ATOM 0 HH21 ARG A 11 1.900 -5.501 -4.205 1.00 2.37 H new ATOM 0 HH22 ARG A 11 0.755 -6.692 -4.831 1.00 2.37 H new ATOM 187 N LEU A 12 1.702 -4.832 4.874 1.00 0.29 N ATOM 188 CA LEU A 12 2.631 -4.030 5.649 1.00 0.26 C ATOM 189 C LEU A 12 3.990 -4.710 5.699 1.00 0.25 C ATOM 190 O LEU A 12 4.140 -5.785 6.285 1.00 0.32 O ATOM 191 CB LEU A 12 2.095 -3.809 7.066 1.00 0.34 C ATOM 192 CG LEU A 12 2.927 -2.862 7.936 1.00 0.60 C ATOM 193 CD1 LEU A 12 2.986 -1.473 7.317 1.00 1.32 C ATOM 194 CD2 LEU A 12 2.354 -2.795 9.341 1.00 1.28 C ATOM 0 H LEU A 12 1.324 -5.637 5.373 1.00 0.29 H new ATOM 0 HA LEU A 12 2.740 -3.059 5.167 1.00 0.26 H new ATOM 0 HB2 LEU A 12 1.081 -3.416 6.997 1.00 0.34 H new ATOM 0 HB3 LEU A 12 2.030 -4.775 7.568 1.00 0.34 H new ATOM 0 HG LEU A 12 3.943 -3.252 7.993 1.00 0.60 H new ATOM 0 HD11 LEU A 12 3.582 -0.817 7.952 1.00 1.32 H new ATOM 0 HD12 LEU A 12 3.442 -1.534 6.329 1.00 1.32 H new ATOM 0 HD13 LEU A 12 1.977 -1.072 7.227 1.00 1.32 H new ATOM 0 HD21 LEU A 12 2.956 -2.118 9.947 1.00 1.28 H new ATOM 0 HD22 LEU A 12 1.328 -2.429 9.298 1.00 1.28 H new ATOM 0 HD23 LEU A 12 2.366 -3.790 9.787 1.00 1.28 H new ATOM 206 N CYS A 13 4.967 -4.086 5.075 1.00 0.23 N ATOM 207 CA CYS A 13 6.300 -4.652 4.979 1.00 0.25 C ATOM 208 C CYS A 13 7.195 -4.076 6.065 1.00 0.22 C ATOM 209 O CYS A 13 7.273 -2.859 6.232 1.00 0.24 O ATOM 210 CB CYS A 13 6.887 -4.347 3.602 1.00 0.29 C ATOM 211 SG CYS A 13 5.787 -4.762 2.231 1.00 0.40 S ATOM 0 H CYS A 13 4.863 -3.178 4.622 1.00 0.23 H new ATOM 0 HA CYS A 13 6.239 -5.732 5.114 1.00 0.25 H new ATOM 0 HB2 CYS A 13 7.133 -3.287 3.549 1.00 0.29 H new ATOM 0 HB3 CYS A 13 7.821 -4.897 3.486 1.00 0.29 H new ATOM 0 HG CYS A 13 6.151 -4.107 1.169 1.00 0.40 H new ATOM 217 N THR A 14 7.860 -4.943 6.811 1.00 0.23 N ATOM 218 CA THR A 14 8.794 -4.495 7.826 1.00 0.24 C ATOM 219 C THR A 14 10.181 -4.996 7.473 1.00 0.22 C ATOM 220 O THR A 14 10.421 -6.203 7.423 1.00 0.25 O ATOM 221 CB THR A 14 8.395 -5.002 9.224 1.00 0.31 C ATOM 222 OG1 THR A 14 7.046 -4.611 9.509 1.00 0.35 O ATOM 223 CG2 THR A 14 9.325 -4.445 10.295 1.00 0.35 C ATOM 0 H THR A 14 7.770 -5.956 6.732 1.00 0.23 H new ATOM 0 HA THR A 14 8.781 -3.405 7.854 1.00 0.24 H new ATOM 0 HB THR A 14 8.476 -6.089 9.231 1.00 0.31 H new ATOM 0 HG1 THR A 14 6.559 -5.371 9.892 1.00 0.35 H new ATOM 0 HG21 THR A 14 9.020 -4.819 11.272 1.00 0.35 H new ATOM 0 HG22 THR A 14 10.348 -4.760 10.089 1.00 0.35 H new ATOM 0 HG23 THR A 14 9.273 -3.356 10.291 1.00 0.35 H new ATOM 231 N MET A 15 11.089 -4.073 7.236 1.00 0.20 N ATOM 232 CA MET A 15 12.403 -4.415 6.733 1.00 0.19 C ATOM 233 C MET A 15 13.453 -3.530 7.370 1.00 0.21 C ATOM 234 O MET A 15 13.218 -2.348 7.603 1.00 0.21 O ATOM 235 CB MET A 15 12.434 -4.244 5.210 1.00 0.21 C ATOM 236 CG MET A 15 12.228 -2.802 4.768 1.00 0.24 C ATOM 237 SD MET A 15 12.267 -2.584 2.979 1.00 0.88 S ATOM 238 CE MET A 15 10.604 -3.079 2.538 1.00 0.28 C ATOM 0 H MET A 15 10.940 -3.075 7.384 1.00 0.20 H new ATOM 0 HA MET A 15 12.619 -5.454 6.984 1.00 0.19 H new ATOM 0 HB2 MET A 15 13.391 -4.601 4.829 1.00 0.21 H new ATOM 0 HB3 MET A 15 11.660 -4.869 4.764 1.00 0.21 H new ATOM 0 HG2 MET A 15 11.270 -2.447 5.148 1.00 0.24 H new ATOM 0 HG3 MET A 15 13.000 -2.179 5.219 1.00 0.24 H new ATOM 0 HE1 MET A 15 10.643 -3.982 1.929 1.00 0.28 H new ATOM 0 HE2 MET A 15 10.031 -3.276 3.444 1.00 0.28 H new ATOM 0 HE3 MET A 15 10.125 -2.280 1.972 1.00 0.28 H new ATOM 248 N LYS A 16 14.605 -4.095 7.657 1.00 0.29 N ATOM 249 CA LYS A 16 15.688 -3.321 8.203 1.00 0.37 C ATOM 250 C LYS A 16 16.893 -3.360 7.283 1.00 0.40 C ATOM 251 O LYS A 16 17.086 -4.308 6.521 1.00 0.48 O ATOM 252 CB LYS A 16 16.029 -3.785 9.613 1.00 0.50 C ATOM 253 CG LYS A 16 16.181 -5.282 9.784 1.00 0.90 C ATOM 254 CD LYS A 16 16.294 -5.628 11.261 1.00 1.09 C ATOM 255 CE LYS A 16 16.311 -7.126 11.509 1.00 1.96 C ATOM 256 NZ LYS A 16 16.306 -7.432 12.967 1.00 2.58 N ATOM 0 H LYS A 16 14.812 -5.084 7.521 1.00 0.29 H new ATOM 0 HA LYS A 16 15.370 -2.281 8.275 1.00 0.37 H new ATOM 0 HB2 LYS A 16 16.958 -3.305 9.921 1.00 0.50 H new ATOM 0 HB3 LYS A 16 15.250 -3.436 10.291 1.00 0.50 H new ATOM 0 HG2 LYS A 16 15.325 -5.795 9.346 1.00 0.90 H new ATOM 0 HG3 LYS A 16 17.067 -5.629 9.252 1.00 0.90 H new ATOM 0 HD2 LYS A 16 17.205 -5.186 11.666 1.00 1.09 H new ATOM 0 HD3 LYS A 16 15.457 -5.183 11.800 1.00 1.09 H new ATOM 0 HE2 LYS A 16 15.443 -7.585 11.036 1.00 1.96 H new ATOM 0 HE3 LYS A 16 17.195 -7.564 11.046 1.00 1.96 H new ATOM 0 HZ1 LYS A 16 16.318 -8.463 13.105 1.00 2.58 H new ATOM 0 HZ2 LYS A 16 17.147 -7.013 13.413 1.00 2.58 H new ATOM 0 HZ3 LYS A 16 15.449 -7.034 13.402 1.00 2.58 H new ATOM 270 N LYS A 17 17.677 -2.298 7.366 1.00 0.41 N ATOM 271 CA LYS A 17 18.769 -2.021 6.440 1.00 0.50 C ATOM 272 C LYS A 17 19.765 -3.166 6.352 1.00 0.60 C ATOM 273 O LYS A 17 20.496 -3.449 7.298 1.00 0.67 O ATOM 274 CB LYS A 17 19.472 -0.730 6.859 1.00 0.51 C ATOM 275 CG LYS A 17 19.322 0.399 5.852 1.00 0.52 C ATOM 276 CD LYS A 17 19.694 1.746 6.451 1.00 0.53 C ATOM 277 CE LYS A 17 18.703 2.162 7.524 1.00 0.62 C ATOM 278 NZ LYS A 17 19.006 3.506 8.083 1.00 0.92 N ATOM 0 H LYS A 17 17.572 -1.589 8.092 1.00 0.41 H new ATOM 0 HA LYS A 17 18.341 -1.906 5.444 1.00 0.50 H new ATOM 0 HB2 LYS A 17 19.073 -0.404 7.820 1.00 0.51 H new ATOM 0 HB3 LYS A 17 20.532 -0.935 7.007 1.00 0.51 H new ATOM 0 HG2 LYS A 17 19.954 0.200 4.986 1.00 0.52 H new ATOM 0 HG3 LYS A 17 18.293 0.432 5.495 1.00 0.52 H new ATOM 0 HD2 LYS A 17 20.695 1.693 6.878 1.00 0.53 H new ATOM 0 HD3 LYS A 17 19.722 2.501 5.665 1.00 0.53 H new ATOM 0 HE2 LYS A 17 17.697 2.164 7.105 1.00 0.62 H new ATOM 0 HE3 LYS A 17 18.712 1.426 8.328 1.00 0.62 H new ATOM 0 HZ1 LYS A 17 18.303 3.746 8.811 1.00 0.92 H new ATOM 0 HZ2 LYS A 17 19.955 3.499 8.507 1.00 0.92 H new ATOM 0 HZ3 LYS A 17 18.972 4.214 7.322 1.00 0.92 H new ATOM 292 N GLY A 18 19.766 -3.828 5.204 1.00 0.68 N ATOM 293 CA GLY A 18 20.718 -4.886 4.949 1.00 0.85 C ATOM 294 C GLY A 18 21.892 -4.410 4.114 1.00 1.05 C ATOM 295 O GLY A 18 22.478 -3.373 4.417 1.00 1.28 O ATOM 0 H GLY A 18 19.117 -3.647 4.438 1.00 0.68 H new ATOM 0 HA2 GLY A 18 21.084 -5.279 5.897 1.00 0.85 H new ATOM 0 HA3 GLY A 18 20.218 -5.707 4.435 1.00 0.85 H new ATOM 299 N PRO A 19 22.230 -5.133 3.031 1.00 1.24 N ATOM 300 CA PRO A 19 23.417 -4.850 2.207 1.00 1.57 C ATOM 301 C PRO A 19 23.442 -3.431 1.635 1.00 1.57 C ATOM 302 O PRO A 19 24.168 -2.568 2.126 1.00 2.23 O ATOM 303 CB PRO A 19 23.326 -5.880 1.074 1.00 1.91 C ATOM 304 CG PRO A 19 22.462 -6.966 1.612 1.00 1.86 C ATOM 305 CD PRO A 19 21.480 -6.296 2.527 1.00 1.40 C ATOM 0 HA PRO A 19 24.329 -4.918 2.801 1.00 1.57 H new ATOM 0 HB2 PRO A 19 22.894 -5.441 0.175 1.00 1.91 H new ATOM 0 HB3 PRO A 19 24.312 -6.257 0.803 1.00 1.91 H new ATOM 0 HG2 PRO A 19 21.949 -7.492 0.807 1.00 1.86 H new ATOM 0 HG3 PRO A 19 23.055 -7.706 2.150 1.00 1.86 H new ATOM 0 HD2 PRO A 19 20.577 -5.994 1.997 1.00 1.40 H new ATOM 0 HD3 PRO A 19 21.169 -6.956 3.337 1.00 1.40 H new ATOM 313 N SER A 20 22.637 -3.190 0.608 1.00 1.40 N ATOM 314 CA SER A 20 22.626 -1.903 -0.071 1.00 1.65 C ATOM 315 C SER A 20 21.505 -1.009 0.452 1.00 1.43 C ATOM 316 O SER A 20 20.932 -0.211 -0.293 1.00 1.93 O ATOM 317 CB SER A 20 22.481 -2.124 -1.578 1.00 2.14 C ATOM 318 OG SER A 20 21.517 -3.131 -1.853 1.00 2.87 O ATOM 0 H SER A 20 21.982 -3.872 0.227 1.00 1.40 H new ATOM 0 HA SER A 20 23.569 -1.395 0.131 1.00 1.65 H new ATOM 0 HB2 SER A 20 22.186 -1.192 -2.059 1.00 2.14 H new ATOM 0 HB3 SER A 20 23.443 -2.411 -2.002 1.00 2.14 H new ATOM 0 HG SER A 20 21.440 -3.254 -2.822 1.00 2.87 H new ATOM 324 N GLY A 21 21.212 -1.130 1.742 1.00 1.04 N ATOM 325 CA GLY A 21 20.128 -0.370 2.325 1.00 0.94 C ATOM 326 C GLY A 21 18.777 -0.883 1.874 1.00 0.97 C ATOM 327 O GLY A 21 18.197 -0.357 0.927 1.00 1.93 O ATOM 0 H GLY A 21 21.707 -1.741 2.392 1.00 1.04 H new ATOM 0 HA2 GLY A 21 20.192 -0.421 3.412 1.00 0.94 H new ATOM 0 HA3 GLY A 21 20.229 0.679 2.048 1.00 0.94 H new ATOM 331 N TYR A 22 18.291 -1.920 2.560 1.00 0.74 N ATOM 332 CA TYR A 22 17.016 -2.572 2.238 1.00 0.70 C ATOM 333 C TYR A 22 17.109 -3.307 0.898 1.00 0.89 C ATOM 334 O TYR A 22 17.265 -4.524 0.866 1.00 1.82 O ATOM 335 CB TYR A 22 15.856 -1.566 2.210 1.00 0.64 C ATOM 336 CG TYR A 22 15.765 -0.675 3.434 1.00 0.50 C ATOM 337 CD1 TYR A 22 15.478 -1.201 4.689 1.00 0.47 C ATOM 338 CD2 TYR A 22 15.957 0.696 3.328 1.00 0.55 C ATOM 339 CE1 TYR A 22 15.388 -0.384 5.800 1.00 0.46 C ATOM 340 CE2 TYR A 22 15.868 1.519 4.434 1.00 0.54 C ATOM 341 CZ TYR A 22 15.584 0.974 5.668 1.00 0.46 C ATOM 342 OH TYR A 22 15.496 1.790 6.772 1.00 0.59 O ATOM 0 H TYR A 22 18.772 -2.334 3.359 1.00 0.74 H new ATOM 0 HA TYR A 22 16.812 -3.296 3.027 1.00 0.70 H new ATOM 0 HB2 TYR A 22 15.959 -0.937 1.326 1.00 0.64 H new ATOM 0 HB3 TYR A 22 14.919 -2.114 2.105 1.00 0.64 H new ATOM 0 HD1 TYR A 22 15.323 -2.264 4.797 1.00 0.47 H new ATOM 0 HD2 TYR A 22 16.180 1.127 2.363 1.00 0.55 H new ATOM 0 HE1 TYR A 22 15.165 -0.808 6.768 1.00 0.46 H new ATOM 0 HE2 TYR A 22 16.020 2.583 4.332 1.00 0.54 H new ATOM 0 HH TYR A 22 15.785 2.695 6.533 1.00 0.59 H new ATOM 352 N GLY A 23 17.020 -2.564 -0.196 1.00 0.43 N ATOM 353 CA GLY A 23 17.151 -3.151 -1.519 1.00 0.42 C ATOM 354 C GLY A 23 15.890 -3.008 -2.346 1.00 0.39 C ATOM 355 O GLY A 23 15.217 -3.997 -2.652 1.00 0.39 O ATOM 0 H GLY A 23 16.858 -1.557 -0.193 1.00 0.43 H new ATOM 0 HA2 GLY A 23 17.981 -2.676 -2.043 1.00 0.42 H new ATOM 0 HA3 GLY A 23 17.399 -4.208 -1.421 1.00 0.42 H new ATOM 359 N PHE A 24 15.577 -1.774 -2.718 1.00 0.37 N ATOM 360 CA PHE A 24 14.443 -1.486 -3.587 1.00 0.36 C ATOM 361 C PHE A 24 14.647 -0.142 -4.280 1.00 0.38 C ATOM 362 O PHE A 24 15.349 0.727 -3.764 1.00 0.40 O ATOM 363 CB PHE A 24 13.123 -1.491 -2.800 1.00 0.34 C ATOM 364 CG PHE A 24 13.032 -0.445 -1.717 1.00 0.32 C ATOM 365 CD1 PHE A 24 13.506 -0.702 -0.442 1.00 0.33 C ATOM 366 CD2 PHE A 24 12.462 0.794 -1.977 1.00 0.34 C ATOM 367 CE1 PHE A 24 13.415 0.254 0.553 1.00 0.35 C ATOM 368 CE2 PHE A 24 12.369 1.751 -0.987 1.00 0.36 C ATOM 369 CZ PHE A 24 12.847 1.481 0.279 1.00 0.36 C ATOM 0 H PHE A 24 16.099 -0.947 -2.428 1.00 0.37 H new ATOM 0 HA PHE A 24 14.382 -2.270 -4.342 1.00 0.36 H new ATOM 0 HB2 PHE A 24 12.299 -1.345 -3.498 1.00 0.34 H new ATOM 0 HB3 PHE A 24 12.988 -2.474 -2.349 1.00 0.34 H new ATOM 0 HD1 PHE A 24 13.952 -1.661 -0.222 1.00 0.33 H new ATOM 0 HD2 PHE A 24 12.087 1.012 -2.966 1.00 0.34 H new ATOM 0 HE1 PHE A 24 13.788 0.040 1.544 1.00 0.35 H new ATOM 0 HE2 PHE A 24 11.923 2.710 -1.203 1.00 0.36 H new ATOM 0 HZ PHE A 24 12.777 2.229 1.054 1.00 0.36 H new ATOM 379 N ASN A 25 14.048 0.022 -5.450 1.00 0.43 N ATOM 380 CA ASN A 25 14.155 1.275 -6.191 1.00 0.46 C ATOM 381 C ASN A 25 12.835 2.031 -6.159 1.00 0.42 C ATOM 382 O ASN A 25 11.760 1.435 -6.257 1.00 0.39 O ATOM 383 CB ASN A 25 14.595 1.027 -7.640 1.00 0.51 C ATOM 384 CG ASN A 25 16.058 0.629 -7.746 1.00 1.23 C ATOM 385 OD1 ASN A 25 16.618 0.018 -6.837 1.00 2.18 O ATOM 386 ND2 ASN A 25 16.689 0.965 -8.858 1.00 1.65 N ATOM 0 H ASN A 25 13.484 -0.694 -5.908 1.00 0.43 H new ATOM 0 HA ASN A 25 14.918 1.885 -5.707 1.00 0.46 H new ATOM 0 HB2 ASN A 25 13.976 0.242 -8.074 1.00 0.51 H new ATOM 0 HB3 ASN A 25 14.424 1.929 -8.227 1.00 0.51 H new ATOM 0 HD21 ASN A 25 17.671 0.718 -8.982 1.00 1.65 H new ATOM 0 HD22 ASN A 25 16.194 1.472 -9.592 1.00 1.65 H new ATOM 393 N LEU A 26 12.931 3.345 -6.039 1.00 0.50 N ATOM 394 CA LEU A 26 11.769 4.206 -5.869 1.00 0.52 C ATOM 395 C LEU A 26 11.386 4.898 -7.169 1.00 0.55 C ATOM 396 O LEU A 26 12.216 5.087 -8.059 1.00 0.73 O ATOM 397 CB LEU A 26 12.017 5.243 -4.773 1.00 0.69 C ATOM 398 CG LEU A 26 11.963 4.697 -3.345 1.00 0.87 C ATOM 399 CD1 LEU A 26 12.263 5.800 -2.341 1.00 1.52 C ATOM 400 CD2 LEU A 26 10.598 4.079 -3.065 1.00 1.48 C ATOM 0 H LEU A 26 13.819 3.847 -6.057 1.00 0.50 H new ATOM 0 HA LEU A 26 10.936 3.569 -5.570 1.00 0.52 H new ATOM 0 HB2 LEU A 26 12.995 5.696 -4.936 1.00 0.69 H new ATOM 0 HB3 LEU A 26 11.277 6.038 -4.871 1.00 0.69 H new ATOM 0 HG LEU A 26 12.723 3.922 -3.242 1.00 0.87 H new ATOM 0 HD11 LEU A 26 12.220 5.394 -1.330 1.00 1.52 H new ATOM 0 HD12 LEU A 26 13.259 6.202 -2.529 1.00 1.52 H new ATOM 0 HD13 LEU A 26 11.525 6.596 -2.444 1.00 1.52 H new ATOM 0 HD21 LEU A 26 10.575 3.695 -2.045 1.00 1.48 H new ATOM 0 HD22 LEU A 26 9.824 4.837 -3.185 1.00 1.48 H new ATOM 0 HD23 LEU A 26 10.418 3.263 -3.764 1.00 1.48 H new ATOM 412 N HIS A 27 10.114 5.260 -7.262 1.00 0.56 N ATOM 413 CA HIS A 27 9.553 5.863 -8.461 1.00 0.67 C ATOM 414 C HIS A 27 9.324 7.353 -8.250 1.00 0.68 C ATOM 415 O HIS A 27 8.920 7.783 -7.165 1.00 0.95 O ATOM 416 CB HIS A 27 8.214 5.200 -8.759 1.00 1.23 C ATOM 417 CG HIS A 27 7.952 4.938 -10.201 1.00 0.70 C ATOM 418 ND1 HIS A 27 7.383 5.859 -11.051 1.00 0.97 N ATOM 419 CD2 HIS A 27 8.138 3.817 -10.927 1.00 0.81 C ATOM 420 CE1 HIS A 27 7.225 5.311 -12.241 1.00 1.30 C ATOM 421 NE2 HIS A 27 7.676 4.069 -12.196 1.00 1.34 N ATOM 0 H HIS A 27 9.441 5.143 -6.505 1.00 0.56 H new ATOM 0 HA HIS A 27 10.248 5.724 -9.289 1.00 0.67 H new ATOM 0 HB2 HIS A 27 8.165 4.255 -8.218 1.00 1.23 H new ATOM 0 HB3 HIS A 27 7.417 5.833 -8.369 1.00 1.23 H new ATOM 0 HD2 HIS A 27 8.570 2.892 -10.576 1.00 0.81 H new ATOM 0 HE1 HIS A 27 6.799 5.796 -13.107 1.00 1.30 H new ATOM 0 HE2 HIS A 27 7.680 3.409 -12.973 1.00 1.34 H new ATOM 430 N SER A 28 9.583 8.131 -9.288 1.00 0.75 N ATOM 431 CA SER A 28 9.423 9.572 -9.225 1.00 1.14 C ATOM 432 C SER A 28 7.970 9.960 -9.493 1.00 1.03 C ATOM 433 O SER A 28 7.246 9.250 -10.200 1.00 1.34 O ATOM 434 CB SER A 28 10.346 10.241 -10.245 1.00 1.74 C ATOM 435 OG SER A 28 11.676 9.756 -10.122 1.00 2.30 O ATOM 0 H SER A 28 9.907 7.784 -10.191 1.00 0.75 H new ATOM 0 HA SER A 28 9.691 9.913 -8.225 1.00 1.14 H new ATOM 0 HB2 SER A 28 9.978 10.052 -11.253 1.00 1.74 H new ATOM 0 HB3 SER A 28 10.334 11.321 -10.099 1.00 1.74 H new ATOM 0 HG SER A 28 12.247 10.197 -10.785 1.00 2.30 H new ATOM 529 N GLN A 35 5.087 7.194 -3.554 1.00 0.74 N ATOM 530 CA GLN A 35 6.258 6.526 -4.091 1.00 0.59 C ATOM 531 C GLN A 35 5.927 5.105 -4.509 1.00 0.52 C ATOM 532 O GLN A 35 5.349 4.336 -3.744 1.00 0.58 O ATOM 533 CB GLN A 35 7.392 6.534 -3.067 1.00 0.58 C ATOM 534 CG GLN A 35 8.376 7.681 -3.252 1.00 0.82 C ATOM 535 CD GLN A 35 7.699 9.026 -3.453 1.00 0.75 C ATOM 536 OE1 GLN A 35 7.438 9.754 -2.500 1.00 1.50 O ATOM 537 NE2 GLN A 35 7.418 9.362 -4.705 1.00 0.78 N ATOM 0 HA GLN A 35 6.585 7.071 -4.976 1.00 0.59 H new ATOM 0 HB2 GLN A 35 6.965 6.591 -2.066 1.00 0.58 H new ATOM 0 HB3 GLN A 35 7.933 5.590 -3.129 1.00 0.58 H new ATOM 0 HG2 GLN A 35 9.027 7.736 -2.380 1.00 0.82 H new ATOM 0 HG3 GLN A 35 9.012 7.470 -4.112 1.00 0.82 H new ATOM 0 HE21 GLN A 35 7.652 8.727 -5.468 1.00 0.78 H new ATOM 0 HE22 GLN A 35 6.968 10.255 -4.905 1.00 0.78 H new ATOM 546 N PHE A 36 6.295 4.768 -5.731 1.00 0.47 N ATOM 547 CA PHE A 36 6.035 3.443 -6.267 1.00 0.43 C ATOM 548 C PHE A 36 7.314 2.620 -6.236 1.00 0.39 C ATOM 549 O PHE A 36 8.414 3.165 -6.330 1.00 0.45 O ATOM 550 CB PHE A 36 5.529 3.532 -7.714 1.00 0.48 C ATOM 551 CG PHE A 36 4.372 4.470 -7.924 1.00 0.58 C ATOM 552 CD1 PHE A 36 4.587 5.820 -8.145 1.00 0.70 C ATOM 553 CD2 PHE A 36 3.068 4.002 -7.878 1.00 0.68 C ATOM 554 CE1 PHE A 36 3.524 6.685 -8.320 1.00 0.83 C ATOM 555 CE2 PHE A 36 2.002 4.862 -8.055 1.00 0.81 C ATOM 556 CZ PHE A 36 2.242 6.202 -8.349 1.00 0.87 C ATOM 0 H PHE A 36 6.777 5.396 -6.374 1.00 0.47 H new ATOM 0 HA PHE A 36 5.270 2.967 -5.654 1.00 0.43 H new ATOM 0 HB2 PHE A 36 6.354 3.847 -8.353 1.00 0.48 H new ATOM 0 HB3 PHE A 36 5.234 2.535 -8.042 1.00 0.48 H new ATOM 0 HD1 PHE A 36 5.597 6.201 -8.181 1.00 0.70 H new ATOM 0 HD2 PHE A 36 2.884 2.953 -7.702 1.00 0.68 H new ATOM 0 HE1 PHE A 36 3.704 7.744 -8.434 1.00 0.83 H new ATOM 0 HE2 PHE A 36 0.989 4.498 -7.966 1.00 0.81 H new ATOM 0 HZ PHE A 36 1.421 6.858 -8.599 1.00 0.87 H new ATOM 566 N ILE A 37 7.167 1.318 -6.089 1.00 0.36 N ATOM 567 CA ILE A 37 8.305 0.419 -6.099 1.00 0.33 C ATOM 568 C ILE A 37 8.665 0.064 -7.537 1.00 0.33 C ATOM 569 O ILE A 37 7.959 -0.702 -8.199 1.00 0.38 O ATOM 570 CB ILE A 37 8.012 -0.866 -5.291 1.00 0.34 C ATOM 571 CG1 ILE A 37 7.583 -0.505 -3.863 1.00 0.39 C ATOM 572 CG2 ILE A 37 9.223 -1.790 -5.264 1.00 0.33 C ATOM 573 CD1 ILE A 37 8.604 0.319 -3.101 1.00 0.38 C ATOM 0 H ILE A 37 6.266 0.857 -5.961 1.00 0.36 H new ATOM 0 HA ILE A 37 9.147 0.926 -5.627 1.00 0.33 H new ATOM 0 HB ILE A 37 7.198 -1.398 -5.783 1.00 0.34 H new ATOM 0 HG12 ILE A 37 6.644 0.047 -3.905 1.00 0.39 H new ATOM 0 HG13 ILE A 37 7.387 -1.424 -3.310 1.00 0.39 H new ATOM 0 HG21 ILE A 37 8.985 -2.685 -4.688 1.00 0.33 H new ATOM 0 HG22 ILE A 37 9.487 -2.074 -6.283 1.00 0.33 H new ATOM 0 HG23 ILE A 37 10.064 -1.274 -4.801 1.00 0.33 H new ATOM 0 HD11 ILE A 37 8.226 0.533 -2.101 1.00 0.38 H new ATOM 0 HD12 ILE A 37 9.538 -0.238 -3.025 1.00 0.38 H new ATOM 0 HD13 ILE A 37 8.783 1.256 -3.629 1.00 0.38 H new ATOM 585 N ARG A 38 9.755 0.646 -8.017 1.00 0.34 N ATOM 586 CA ARG A 38 10.207 0.441 -9.387 1.00 0.41 C ATOM 587 C ARG A 38 10.729 -0.979 -9.557 1.00 0.40 C ATOM 588 O ARG A 38 10.484 -1.629 -10.573 1.00 0.49 O ATOM 589 CB ARG A 38 11.299 1.462 -9.726 1.00 0.50 C ATOM 590 CG ARG A 38 11.830 1.370 -11.149 1.00 0.67 C ATOM 591 CD ARG A 38 10.724 1.567 -12.170 1.00 1.24 C ATOM 592 NE ARG A 38 11.250 1.705 -13.525 1.00 1.56 N ATOM 593 CZ ARG A 38 11.094 0.792 -14.483 1.00 2.17 C ATOM 594 NH1 ARG A 38 10.480 -0.351 -14.222 1.00 2.83 N ATOM 595 NH2 ARG A 38 11.567 1.017 -15.703 1.00 2.62 N ATOM 0 H ARG A 38 10.349 1.271 -7.471 1.00 0.34 H new ATOM 0 HA ARG A 38 9.369 0.583 -10.070 1.00 0.41 H new ATOM 0 HB2 ARG A 38 10.904 2.465 -9.563 1.00 0.50 H new ATOM 0 HB3 ARG A 38 12.130 1.330 -9.033 1.00 0.50 H new ATOM 0 HG2 ARG A 38 12.603 2.123 -11.299 1.00 0.67 H new ATOM 0 HG3 ARG A 38 12.298 0.398 -11.301 1.00 0.67 H new ATOM 0 HD2 ARG A 38 10.039 0.720 -12.131 1.00 1.24 H new ATOM 0 HD3 ARG A 38 10.147 2.455 -11.913 1.00 1.24 H new ATOM 0 HE ARG A 38 11.769 2.553 -13.752 1.00 1.56 H new ATOM 0 HH11 ARG A 38 10.124 -0.536 -13.284 1.00 2.83 H new ATOM 0 HH12 ARG A 38 10.363 -1.047 -14.959 1.00 2.83 H new ATOM 0 HH21 ARG A 38 12.051 1.891 -15.909 1.00 2.62 H new ATOM 0 HH22 ARG A 38 11.446 0.316 -16.434 1.00 2.62 H new ATOM 609 N SER A 39 11.434 -1.444 -8.541 1.00 0.36 N ATOM 610 CA SER A 39 11.978 -2.791 -8.524 1.00 0.40 C ATOM 611 C SER A 39 12.422 -3.150 -7.115 1.00 0.32 C ATOM 612 O SER A 39 12.754 -2.266 -6.326 1.00 0.37 O ATOM 613 CB SER A 39 13.167 -2.896 -9.485 1.00 0.54 C ATOM 614 OG SER A 39 14.175 -1.950 -9.161 1.00 1.26 O ATOM 0 H SER A 39 11.646 -0.899 -7.705 1.00 0.36 H new ATOM 0 HA SER A 39 11.203 -3.487 -8.846 1.00 0.40 H new ATOM 0 HB2 SER A 39 13.583 -3.903 -9.444 1.00 0.54 H new ATOM 0 HB3 SER A 39 12.827 -2.733 -10.508 1.00 0.54 H new ATOM 0 HG SER A 39 14.922 -2.040 -9.789 1.00 1.26 H new ATOM 620 N VAL A 40 12.400 -4.432 -6.793 1.00 0.36 N ATOM 621 CA VAL A 40 12.938 -4.903 -5.529 1.00 0.30 C ATOM 622 C VAL A 40 13.996 -5.970 -5.796 1.00 0.31 C ATOM 623 O VAL A 40 13.762 -6.916 -6.552 1.00 0.37 O ATOM 624 CB VAL A 40 11.831 -5.447 -4.588 1.00 0.33 C ATOM 625 CG1 VAL A 40 11.090 -6.622 -5.207 1.00 0.37 C ATOM 626 CG2 VAL A 40 12.414 -5.834 -3.239 1.00 0.32 C ATOM 0 H VAL A 40 12.015 -5.165 -7.389 1.00 0.36 H new ATOM 0 HA VAL A 40 13.394 -4.056 -5.017 1.00 0.30 H new ATOM 0 HB VAL A 40 11.108 -4.645 -4.439 1.00 0.33 H new ATOM 0 HG11 VAL A 40 10.323 -6.973 -4.516 1.00 0.37 H new ATOM 0 HG12 VAL A 40 10.621 -6.306 -6.139 1.00 0.37 H new ATOM 0 HG13 VAL A 40 11.793 -7.430 -5.410 1.00 0.37 H new ATOM 0 HG21 VAL A 40 11.620 -6.213 -2.595 1.00 0.32 H new ATOM 0 HG22 VAL A 40 13.169 -6.608 -3.377 1.00 0.32 H new ATOM 0 HG23 VAL A 40 12.871 -4.960 -2.776 1.00 0.32 H new ATOM 636 N ASP A 41 15.166 -5.797 -5.204 1.00 0.35 N ATOM 637 CA ASP A 41 16.278 -6.709 -5.433 1.00 0.45 C ATOM 638 C ASP A 41 16.013 -8.053 -4.777 1.00 0.48 C ATOM 639 O ASP A 41 15.541 -8.115 -3.646 1.00 0.51 O ATOM 640 CB ASP A 41 17.584 -6.107 -4.907 1.00 0.54 C ATOM 641 CG ASP A 41 18.069 -4.956 -5.759 1.00 1.27 C ATOM 642 OD1 ASP A 41 18.689 -5.205 -6.813 1.00 1.32 O ATOM 643 OD2 ASP A 41 17.834 -3.789 -5.379 1.00 2.28 O ATOM 0 H ASP A 41 15.372 -5.033 -4.560 1.00 0.35 H new ATOM 0 HA ASP A 41 16.376 -6.864 -6.507 1.00 0.45 H new ATOM 0 HB2 ASP A 41 17.436 -5.762 -3.884 1.00 0.54 H new ATOM 0 HB3 ASP A 41 18.351 -6.881 -4.875 1.00 0.54 H new ATOM 648 N PRO A 42 16.298 -9.151 -5.493 1.00 0.58 N ATOM 649 CA PRO A 42 16.088 -10.508 -4.985 1.00 0.69 C ATOM 650 C PRO A 42 16.984 -10.818 -3.791 1.00 0.69 C ATOM 651 O PRO A 42 18.138 -10.376 -3.738 1.00 1.17 O ATOM 652 CB PRO A 42 16.451 -11.406 -6.173 1.00 0.84 C ATOM 653 CG PRO A 42 17.329 -10.565 -7.035 1.00 0.93 C ATOM 654 CD PRO A 42 16.847 -9.154 -6.860 1.00 0.69 C ATOM 0 HA PRO A 42 15.068 -10.653 -4.628 1.00 0.69 H new ATOM 0 HB2 PRO A 42 16.967 -12.308 -5.843 1.00 0.84 H new ATOM 0 HB3 PRO A 42 15.560 -11.728 -6.712 1.00 0.84 H new ATOM 0 HG2 PRO A 42 18.374 -10.660 -6.739 1.00 0.93 H new ATOM 0 HG3 PRO A 42 17.263 -10.874 -8.078 1.00 0.93 H new ATOM 0 HD2 PRO A 42 17.659 -8.435 -6.969 1.00 0.69 H new ATOM 0 HD3 PRO A 42 16.089 -8.893 -7.599 1.00 0.69 H new ATOM 662 N ASP A 43 16.433 -11.570 -2.841 1.00 0.75 N ATOM 663 CA ASP A 43 17.152 -11.977 -1.632 1.00 0.87 C ATOM 664 C ASP A 43 17.567 -10.767 -0.804 1.00 0.70 C ATOM 665 O ASP A 43 18.687 -10.705 -0.289 1.00 0.86 O ATOM 666 CB ASP A 43 18.386 -12.817 -1.977 1.00 1.14 C ATOM 667 CG ASP A 43 18.036 -14.201 -2.480 1.00 1.69 C ATOM 668 OD1 ASP A 43 17.793 -15.099 -1.647 1.00 1.92 O ATOM 669 OD2 ASP A 43 17.993 -14.394 -3.713 1.00 2.40 O ATOM 0 H ASP A 43 15.474 -11.916 -2.886 1.00 0.75 H new ATOM 0 HA ASP A 43 16.469 -12.587 -1.041 1.00 0.87 H new ATOM 0 HB2 ASP A 43 18.972 -12.298 -2.736 1.00 1.14 H new ATOM 0 HB3 ASP A 43 19.017 -12.906 -1.093 1.00 1.14 H new ATOM 674 N SER A 44 16.665 -9.808 -0.685 1.00 0.57 N ATOM 675 CA SER A 44 16.925 -8.613 0.097 1.00 0.48 C ATOM 676 C SER A 44 15.937 -8.512 1.252 1.00 0.40 C ATOM 677 O SER A 44 14.875 -9.143 1.213 1.00 0.39 O ATOM 678 CB SER A 44 16.809 -7.364 -0.781 1.00 0.47 C ATOM 679 OG SER A 44 15.476 -7.187 -1.232 1.00 0.46 O ATOM 0 H SER A 44 15.744 -9.835 -1.122 1.00 0.57 H new ATOM 0 HA SER A 44 17.938 -8.679 0.494 1.00 0.48 H new ATOM 0 HB2 SER A 44 17.126 -6.487 -0.217 1.00 0.47 H new ATOM 0 HB3 SER A 44 17.478 -7.452 -1.637 1.00 0.47 H new ATOM 0 HG SER A 44 15.462 -7.171 -2.212 1.00 0.46 H new ATOM 685 N PRO A 45 16.272 -7.738 2.300 1.00 0.43 N ATOM 686 CA PRO A 45 15.344 -7.455 3.393 1.00 0.45 C ATOM 687 C PRO A 45 14.003 -6.953 2.869 1.00 0.38 C ATOM 688 O PRO A 45 12.942 -7.331 3.369 1.00 0.39 O ATOM 689 CB PRO A 45 16.041 -6.352 4.193 1.00 0.57 C ATOM 690 CG PRO A 45 17.489 -6.469 3.864 1.00 0.65 C ATOM 691 CD PRO A 45 17.589 -7.112 2.508 1.00 0.52 C ATOM 0 HA PRO A 45 15.125 -8.344 3.984 1.00 0.45 H new ATOM 0 HB2 PRO A 45 15.656 -5.369 3.922 1.00 0.57 H new ATOM 0 HB3 PRO A 45 15.871 -6.477 5.262 1.00 0.57 H new ATOM 0 HG2 PRO A 45 17.963 -5.487 3.860 1.00 0.65 H new ATOM 0 HG3 PRO A 45 18.006 -7.069 4.613 1.00 0.65 H new ATOM 0 HD2 PRO A 45 17.805 -6.375 1.734 1.00 0.52 H new ATOM 0 HD3 PRO A 45 18.389 -7.851 2.477 1.00 0.52 H new ATOM 699 N ALA A 46 14.069 -6.121 1.833 1.00 0.35 N ATOM 700 CA ALA A 46 12.880 -5.533 1.237 1.00 0.33 C ATOM 701 C ALA A 46 11.971 -6.612 0.662 1.00 0.30 C ATOM 702 O ALA A 46 10.788 -6.682 0.995 1.00 0.31 O ATOM 703 CB ALA A 46 13.275 -4.536 0.159 1.00 0.36 C ATOM 0 H ALA A 46 14.943 -5.839 1.388 1.00 0.35 H new ATOM 0 HA ALA A 46 12.327 -5.007 2.015 1.00 0.33 H new ATOM 0 HB1 ALA A 46 12.378 -4.101 -0.281 1.00 0.36 H new ATOM 0 HB2 ALA A 46 13.883 -3.745 0.600 1.00 0.36 H new ATOM 0 HB3 ALA A 46 13.849 -5.046 -0.615 1.00 0.36 H new ATOM 709 N GLU A 47 12.539 -7.472 -0.170 1.00 0.31 N ATOM 710 CA GLU A 47 11.777 -8.539 -0.805 1.00 0.33 C ATOM 711 C GLU A 47 11.233 -9.508 0.243 1.00 0.34 C ATOM 712 O GLU A 47 10.089 -9.958 0.158 1.00 0.40 O ATOM 713 CB GLU A 47 12.660 -9.275 -1.814 1.00 0.40 C ATOM 714 CG GLU A 47 11.954 -10.395 -2.553 1.00 0.53 C ATOM 715 CD GLU A 47 12.857 -11.076 -3.559 1.00 1.12 C ATOM 716 OE1 GLU A 47 13.665 -11.935 -3.151 1.00 2.01 O ATOM 717 OE2 GLU A 47 12.769 -10.749 -4.763 1.00 1.51 O ATOM 0 H GLU A 47 13.527 -7.452 -0.422 1.00 0.31 H new ATOM 0 HA GLU A 47 10.929 -8.102 -1.332 1.00 0.33 H new ATOM 0 HB2 GLU A 47 13.039 -8.557 -2.541 1.00 0.40 H new ATOM 0 HB3 GLU A 47 13.524 -9.686 -1.292 1.00 0.40 H new ATOM 0 HG2 GLU A 47 11.594 -11.131 -1.834 1.00 0.53 H new ATOM 0 HG3 GLU A 47 11.079 -9.995 -3.065 1.00 0.53 H new ATOM 724 N ALA A 48 12.053 -9.792 1.247 1.00 0.34 N ATOM 725 CA ALA A 48 11.676 -10.712 2.315 1.00 0.38 C ATOM 726 C ALA A 48 10.534 -10.158 3.167 1.00 0.37 C ATOM 727 O ALA A 48 9.682 -10.912 3.638 1.00 0.47 O ATOM 728 CB ALA A 48 12.882 -11.022 3.189 1.00 0.44 C ATOM 0 H ALA A 48 12.988 -9.397 1.345 1.00 0.34 H new ATOM 0 HA ALA A 48 11.322 -11.631 1.849 1.00 0.38 H new ATOM 0 HB1 ALA A 48 12.589 -11.709 3.983 1.00 0.44 H new ATOM 0 HB2 ALA A 48 13.663 -11.480 2.582 1.00 0.44 H new ATOM 0 HB3 ALA A 48 13.259 -10.099 3.629 1.00 0.44 H new ATOM 734 N SER A 49 10.509 -8.837 3.349 1.00 0.31 N ATOM 735 CA SER A 49 9.494 -8.193 4.177 1.00 0.32 C ATOM 736 C SER A 49 8.126 -8.236 3.497 1.00 0.35 C ATOM 737 O SER A 49 7.099 -7.976 4.123 1.00 0.40 O ATOM 738 CB SER A 49 9.900 -6.746 4.468 1.00 0.32 C ATOM 739 OG SER A 49 9.803 -5.935 3.315 1.00 0.31 O ATOM 0 H SER A 49 11.182 -8.193 2.933 1.00 0.31 H new ATOM 0 HA SER A 49 9.419 -8.738 5.118 1.00 0.32 H new ATOM 0 HB2 SER A 49 9.263 -6.340 5.253 1.00 0.32 H new ATOM 0 HB3 SER A 49 10.923 -6.723 4.844 1.00 0.32 H new ATOM 0 HG SER A 49 10.006 -6.471 2.520 1.00 0.31 H new ATOM 745 N GLY A 50 8.123 -8.565 2.212 1.00 0.36 N ATOM 746 CA GLY A 50 6.877 -8.685 1.484 1.00 0.43 C ATOM 747 C GLY A 50 6.678 -7.583 0.466 1.00 0.43 C ATOM 748 O GLY A 50 5.570 -7.392 -0.034 1.00 0.62 O ATOM 0 H GLY A 50 8.961 -8.751 1.662 1.00 0.36 H new ATOM 0 HA2 GLY A 50 6.850 -9.650 0.977 1.00 0.43 H new ATOM 0 HA3 GLY A 50 6.047 -8.673 2.191 1.00 0.43 H new ATOM 752 N LEU A 51 7.746 -6.858 0.158 1.00 0.41 N ATOM 753 CA LEU A 51 7.672 -5.774 -0.809 1.00 0.40 C ATOM 754 C LEU A 51 7.618 -6.332 -2.225 1.00 0.48 C ATOM 755 O LEU A 51 8.489 -7.102 -2.638 1.00 0.65 O ATOM 756 CB LEU A 51 8.871 -4.840 -0.652 1.00 0.38 C ATOM 757 CG LEU A 51 8.781 -3.535 -1.441 1.00 0.35 C ATOM 758 CD1 LEU A 51 7.606 -2.705 -0.953 1.00 0.38 C ATOM 759 CD2 LEU A 51 10.077 -2.752 -1.318 1.00 0.37 C ATOM 0 H LEU A 51 8.671 -7.002 0.563 1.00 0.41 H new ATOM 0 HA LEU A 51 6.761 -5.204 -0.624 1.00 0.40 H new ATOM 0 HB2 LEU A 51 8.990 -4.601 0.405 1.00 0.38 H new ATOM 0 HB3 LEU A 51 9.770 -5.373 -0.961 1.00 0.38 H new ATOM 0 HG LEU A 51 8.622 -3.773 -2.493 1.00 0.35 H new ATOM 0 HD11 LEU A 51 7.554 -1.778 -1.524 1.00 0.38 H new ATOM 0 HD12 LEU A 51 6.682 -3.267 -1.089 1.00 0.38 H new ATOM 0 HD13 LEU A 51 7.738 -2.473 0.104 1.00 0.38 H new ATOM 0 HD21 LEU A 51 9.997 -1.825 -1.886 1.00 0.37 H new ATOM 0 HD22 LEU A 51 10.264 -2.521 -0.269 1.00 0.37 H new ATOM 0 HD23 LEU A 51 10.901 -3.348 -1.711 1.00 0.37 H new ATOM 771 N ARG A 52 6.585 -5.953 -2.955 1.00 0.53 N ATOM 772 CA ARG A 52 6.400 -6.414 -4.316 1.00 0.65 C ATOM 773 C ARG A 52 6.620 -5.264 -5.294 1.00 0.55 C ATOM 774 O ARG A 52 6.380 -4.102 -4.968 1.00 0.61 O ATOM 775 CB ARG A 52 4.994 -7.007 -4.477 1.00 0.86 C ATOM 776 CG ARG A 52 4.744 -7.645 -5.834 1.00 1.23 C ATOM 777 CD ARG A 52 3.403 -8.358 -5.879 1.00 2.05 C ATOM 778 NE ARG A 52 3.142 -8.949 -7.192 1.00 2.59 N ATOM 779 CZ ARG A 52 2.791 -10.221 -7.381 1.00 3.57 C ATOM 780 NH1 ARG A 52 2.660 -11.042 -6.349 1.00 4.13 N ATOM 781 NH2 ARG A 52 2.576 -10.677 -8.608 1.00 4.38 N ATOM 0 H ARG A 52 5.856 -5.321 -2.623 1.00 0.53 H new ATOM 0 HA ARG A 52 7.131 -7.192 -4.535 1.00 0.65 H new ATOM 0 HB2 ARG A 52 4.835 -7.755 -3.700 1.00 0.86 H new ATOM 0 HB3 ARG A 52 4.258 -6.219 -4.316 1.00 0.86 H new ATOM 0 HG2 ARG A 52 4.775 -6.878 -6.608 1.00 1.23 H new ATOM 0 HG3 ARG A 52 5.541 -8.354 -6.056 1.00 1.23 H new ATOM 0 HD2 ARG A 52 3.382 -9.139 -5.119 1.00 2.05 H new ATOM 0 HD3 ARG A 52 2.609 -7.653 -5.634 1.00 2.05 H new ATOM 0 HE ARG A 52 3.234 -8.351 -8.013 1.00 2.59 H new ATOM 0 HH11 ARG A 52 2.828 -10.702 -5.402 1.00 4.13 H new ATOM 0 HH12 ARG A 52 2.391 -12.014 -6.502 1.00 4.13 H new ATOM 0 HH21 ARG A 52 2.679 -10.054 -9.409 1.00 4.38 H new ATOM 0 HH22 ARG A 52 2.308 -11.651 -8.750 1.00 4.38 H new ATOM 795 N ALA A 53 7.116 -5.590 -6.478 1.00 0.53 N ATOM 796 CA ALA A 53 7.315 -4.596 -7.521 1.00 0.54 C ATOM 797 C ALA A 53 5.971 -4.098 -8.037 1.00 0.61 C ATOM 798 O ALA A 53 4.997 -4.851 -8.041 1.00 1.44 O ATOM 799 CB ALA A 53 8.147 -5.174 -8.657 1.00 0.68 C ATOM 0 H ALA A 53 7.388 -6.537 -6.741 1.00 0.53 H new ATOM 0 HA ALA A 53 7.858 -3.750 -7.098 1.00 0.54 H new ATOM 0 HB1 ALA A 53 8.286 -4.416 -9.428 1.00 0.68 H new ATOM 0 HB2 ALA A 53 9.119 -5.485 -8.274 1.00 0.68 H new ATOM 0 HB3 ALA A 53 7.633 -6.035 -9.083 1.00 0.68 H new ATOM 805 N GLN A 54 5.940 -2.828 -8.451 1.00 0.65 N ATOM 806 CA GLN A 54 4.724 -2.164 -8.956 1.00 0.74 C ATOM 807 C GLN A 54 3.809 -1.736 -7.809 1.00 0.59 C ATOM 808 O GLN A 54 2.741 -1.165 -8.040 1.00 0.67 O ATOM 809 CB GLN A 54 3.945 -3.045 -9.943 1.00 0.99 C ATOM 810 CG GLN A 54 4.725 -3.415 -11.193 1.00 1.46 C ATOM 811 CD GLN A 54 3.917 -4.273 -12.148 1.00 2.34 C ATOM 812 OE1 GLN A 54 2.693 -4.156 -12.227 1.00 2.99 O ATOM 813 NE2 GLN A 54 4.596 -5.146 -12.875 1.00 3.06 N ATOM 0 H GLN A 54 6.761 -2.223 -8.447 1.00 0.65 H new ATOM 0 HA GLN A 54 5.060 -1.277 -9.493 1.00 0.74 H new ATOM 0 HB2 GLN A 54 3.640 -3.959 -9.434 1.00 0.99 H new ATOM 0 HB3 GLN A 54 3.034 -2.524 -10.237 1.00 0.99 H new ATOM 0 HG2 GLN A 54 5.039 -2.505 -11.704 1.00 1.46 H new ATOM 0 HG3 GLN A 54 5.631 -3.949 -10.907 1.00 1.46 H new ATOM 0 HE21 GLN A 54 5.609 -5.211 -12.779 1.00 3.06 H new ATOM 0 HE22 GLN A 54 4.106 -5.754 -13.531 1.00 3.06 H new ATOM 822 N ASP A 55 4.232 -2.000 -6.582 1.00 0.47 N ATOM 823 CA ASP A 55 3.476 -1.591 -5.402 1.00 0.45 C ATOM 824 C ASP A 55 3.693 -0.115 -5.113 1.00 0.39 C ATOM 825 O ASP A 55 4.784 0.412 -5.321 1.00 0.48 O ATOM 826 CB ASP A 55 3.893 -2.409 -4.177 1.00 0.50 C ATOM 827 CG ASP A 55 3.231 -3.774 -4.105 1.00 0.67 C ATOM 828 OD1 ASP A 55 2.717 -4.257 -5.135 1.00 1.02 O ATOM 829 OD2 ASP A 55 3.218 -4.372 -3.008 1.00 1.01 O ATOM 0 H ASP A 55 5.098 -2.498 -6.374 1.00 0.47 H new ATOM 0 HA ASP A 55 2.420 -1.768 -5.608 1.00 0.45 H new ATOM 0 HB2 ASP A 55 4.975 -2.539 -4.188 1.00 0.50 H new ATOM 0 HB3 ASP A 55 3.649 -1.848 -3.275 1.00 0.50 H new ATOM 834 N ARG A 56 2.652 0.560 -4.657 1.00 0.38 N ATOM 835 CA ARG A 56 2.779 1.953 -4.252 1.00 0.42 C ATOM 836 C ARG A 56 2.777 2.071 -2.736 1.00 0.39 C ATOM 837 O ARG A 56 1.939 1.476 -2.058 1.00 0.39 O ATOM 838 CB ARG A 56 1.646 2.806 -4.817 1.00 0.56 C ATOM 839 CG ARG A 56 1.791 4.284 -4.484 1.00 0.78 C ATOM 840 CD ARG A 56 0.497 5.041 -4.714 1.00 0.79 C ATOM 841 NE ARG A 56 -0.566 4.573 -3.826 1.00 0.89 N ATOM 842 CZ ARG A 56 -1.714 4.053 -4.253 1.00 0.91 C ATOM 843 NH1 ARG A 56 -1.989 4.006 -5.551 1.00 1.51 N ATOM 844 NH2 ARG A 56 -2.605 3.604 -3.381 1.00 1.57 N ATOM 0 H ARG A 56 1.714 0.171 -4.558 1.00 0.38 H new ATOM 0 HA ARG A 56 3.726 2.318 -4.650 1.00 0.42 H new ATOM 0 HB2 ARG A 56 1.613 2.685 -5.900 1.00 0.56 H new ATOM 0 HB3 ARG A 56 0.696 2.443 -4.426 1.00 0.56 H new ATOM 0 HG2 ARG A 56 2.097 4.394 -3.444 1.00 0.78 H new ATOM 0 HG3 ARG A 56 2.581 4.719 -5.096 1.00 0.78 H new ATOM 0 HD2 ARG A 56 0.664 6.106 -4.552 1.00 0.79 H new ATOM 0 HD3 ARG A 56 0.184 4.921 -5.751 1.00 0.79 H new ATOM 0 HE ARG A 56 -0.419 4.650 -2.820 1.00 0.89 H new ATOM 0 HH11 ARG A 56 -1.318 4.370 -6.228 1.00 1.51 H new ATOM 0 HH12 ARG A 56 -2.871 3.606 -5.871 1.00 1.51 H new ATOM 0 HH21 ARG A 56 -2.411 3.657 -2.381 1.00 1.57 H new ATOM 0 HH22 ARG A 56 -3.485 3.206 -3.710 1.00 1.57 H new ATOM 858 N ILE A 57 3.711 2.848 -2.214 1.00 0.40 N ATOM 859 CA ILE A 57 3.768 3.117 -0.791 1.00 0.38 C ATOM 860 C ILE A 57 2.684 4.117 -0.413 1.00 0.38 C ATOM 861 O ILE A 57 2.607 5.208 -0.981 1.00 0.49 O ATOM 862 CB ILE A 57 5.152 3.670 -0.384 1.00 0.46 C ATOM 863 CG1 ILE A 57 6.250 2.677 -0.774 1.00 0.53 C ATOM 864 CG2 ILE A 57 5.197 3.956 1.111 1.00 0.45 C ATOM 865 CD1 ILE A 57 7.652 3.177 -0.497 1.00 0.68 C ATOM 0 H ILE A 57 4.442 3.305 -2.759 1.00 0.40 H new ATOM 0 HA ILE A 57 3.605 2.180 -0.259 1.00 0.38 H new ATOM 0 HB ILE A 57 5.323 4.607 -0.914 1.00 0.46 H new ATOM 0 HG12 ILE A 57 6.093 1.745 -0.232 1.00 0.53 H new ATOM 0 HG13 ILE A 57 6.159 2.448 -1.836 1.00 0.53 H new ATOM 0 HG21 ILE A 57 6.180 4.345 1.378 1.00 0.45 H new ATOM 0 HG22 ILE A 57 4.435 4.693 1.364 1.00 0.45 H new ATOM 0 HG23 ILE A 57 5.009 3.035 1.663 1.00 0.45 H new ATOM 0 HD11 ILE A 57 8.375 2.419 -0.799 1.00 0.68 H new ATOM 0 HD12 ILE A 57 7.830 4.093 -1.060 1.00 0.68 H new ATOM 0 HD13 ILE A 57 7.762 3.379 0.568 1.00 0.68 H new ATOM 877 N VAL A 58 1.837 3.729 0.527 1.00 0.29 N ATOM 878 CA VAL A 58 0.746 4.580 0.981 1.00 0.32 C ATOM 879 C VAL A 58 1.094 5.232 2.313 1.00 0.30 C ATOM 880 O VAL A 58 0.911 6.435 2.503 1.00 0.37 O ATOM 881 CB VAL A 58 -0.565 3.782 1.137 1.00 0.37 C ATOM 882 CG1 VAL A 58 -1.717 4.702 1.508 1.00 0.87 C ATOM 883 CG2 VAL A 58 -0.877 3.016 -0.139 1.00 0.62 C ATOM 0 H VAL A 58 1.884 2.823 0.994 1.00 0.29 H new ATOM 0 HA VAL A 58 0.600 5.349 0.223 1.00 0.32 H new ATOM 0 HB VAL A 58 -0.434 3.063 1.946 1.00 0.37 H new ATOM 0 HG11 VAL A 58 -2.631 4.117 1.613 1.00 0.87 H new ATOM 0 HG12 VAL A 58 -1.495 5.200 2.452 1.00 0.87 H new ATOM 0 HG13 VAL A 58 -1.852 5.449 0.726 1.00 0.87 H new ATOM 0 HG21 VAL A 58 -1.805 2.459 -0.011 1.00 0.62 H new ATOM 0 HG22 VAL A 58 -0.986 3.717 -0.967 1.00 0.62 H new ATOM 0 HG23 VAL A 58 -0.064 2.323 -0.355 1.00 0.62 H new ATOM 893 N GLU A 59 1.604 4.423 3.233 1.00 0.24 N ATOM 894 CA GLU A 59 1.983 4.905 4.554 1.00 0.25 C ATOM 895 C GLU A 59 3.397 4.448 4.892 1.00 0.22 C ATOM 896 O GLU A 59 3.817 3.359 4.498 1.00 0.23 O ATOM 897 CB GLU A 59 1.004 4.407 5.626 1.00 0.29 C ATOM 898 CG GLU A 59 -0.433 4.859 5.412 1.00 0.40 C ATOM 899 CD GLU A 59 -1.295 4.683 6.648 1.00 0.44 C ATOM 900 OE1 GLU A 59 -1.693 3.537 6.951 1.00 0.43 O ATOM 901 OE2 GLU A 59 -1.576 5.691 7.323 1.00 0.89 O ATOM 0 H GLU A 59 1.765 3.426 3.087 1.00 0.24 H new ATOM 0 HA GLU A 59 1.949 5.994 4.539 1.00 0.25 H new ATOM 0 HB2 GLU A 59 1.031 3.318 5.650 1.00 0.29 H new ATOM 0 HB3 GLU A 59 1.342 4.756 6.602 1.00 0.29 H new ATOM 0 HG2 GLU A 59 -0.439 5.908 5.117 1.00 0.40 H new ATOM 0 HG3 GLU A 59 -0.868 4.294 4.588 1.00 0.40 H new ATOM 908 N VAL A 60 4.129 5.286 5.613 1.00 0.22 N ATOM 909 CA VAL A 60 5.481 4.949 6.040 1.00 0.21 C ATOM 910 C VAL A 60 5.592 5.100 7.548 1.00 0.22 C ATOM 911 O VAL A 60 5.168 6.113 8.099 1.00 0.27 O ATOM 912 CB VAL A 60 6.549 5.842 5.373 1.00 0.23 C ATOM 913 CG1 VAL A 60 7.947 5.345 5.717 1.00 0.54 C ATOM 914 CG2 VAL A 60 6.351 5.904 3.867 1.00 0.66 C ATOM 0 H VAL A 60 3.809 6.206 5.915 1.00 0.22 H new ATOM 0 HA VAL A 60 5.666 3.918 5.737 1.00 0.21 H new ATOM 0 HB VAL A 60 6.437 6.854 5.763 1.00 0.23 H new ATOM 0 HG11 VAL A 60 8.689 5.985 5.239 1.00 0.54 H new ATOM 0 HG12 VAL A 60 8.087 5.372 6.798 1.00 0.54 H new ATOM 0 HG13 VAL A 60 8.067 4.322 5.361 1.00 0.54 H new ATOM 0 HG21 VAL A 60 7.118 6.540 3.425 1.00 0.66 H new ATOM 0 HG22 VAL A 60 6.427 4.900 3.448 1.00 0.66 H new ATOM 0 HG23 VAL A 60 5.366 6.316 3.646 1.00 0.66 H new ATOM 924 N ASN A 61 6.132 4.074 8.210 1.00 0.25 N ATOM 925 CA ASN A 61 6.304 4.073 9.672 1.00 0.30 C ATOM 926 C ASN A 61 4.952 4.061 10.376 1.00 0.36 C ATOM 927 O ASN A 61 4.876 4.214 11.596 1.00 0.47 O ATOM 928 CB ASN A 61 7.105 5.296 10.155 1.00 0.39 C ATOM 929 CG ASN A 61 8.470 5.434 9.503 1.00 0.53 C ATOM 930 OD1 ASN A 61 8.936 6.545 9.265 1.00 1.17 O ATOM 931 ND2 ASN A 61 9.135 4.321 9.237 1.00 0.61 N ATOM 0 H ASN A 61 6.462 3.223 7.754 1.00 0.25 H new ATOM 0 HA ASN A 61 6.859 3.169 9.922 1.00 0.30 H new ATOM 0 HB2 ASN A 61 6.526 6.198 9.958 1.00 0.39 H new ATOM 0 HB3 ASN A 61 7.234 5.230 11.235 1.00 0.39 H new ATOM 0 HD21 ASN A 61 10.065 4.370 8.821 1.00 0.61 H new ATOM 0 HD22 ASN A 61 8.717 3.415 9.448 1.00 0.61 H new ATOM 938 N GLY A 62 3.888 3.871 9.606 1.00 0.37 N ATOM 939 CA GLY A 62 2.549 3.956 10.155 1.00 0.50 C ATOM 940 C GLY A 62 1.987 5.359 10.040 1.00 0.51 C ATOM 941 O GLY A 62 0.948 5.675 10.624 1.00 0.66 O ATOM 0 H GLY A 62 3.929 3.659 8.609 1.00 0.37 H new ATOM 0 HA2 GLY A 62 1.896 3.258 9.632 1.00 0.50 H new ATOM 0 HA3 GLY A 62 2.565 3.654 11.202 1.00 0.50 H new ATOM 945 N VAL A 63 2.697 6.205 9.302 1.00 0.42 N ATOM 946 CA VAL A 63 2.281 7.580 9.067 1.00 0.50 C ATOM 947 C VAL A 63 1.735 7.730 7.648 1.00 0.43 C ATOM 948 O VAL A 63 2.365 7.291 6.682 1.00 0.39 O ATOM 949 CB VAL A 63 3.455 8.562 9.268 1.00 0.61 C ATOM 950 CG1 VAL A 63 2.992 10.001 9.105 1.00 0.98 C ATOM 951 CG2 VAL A 63 4.098 8.360 10.631 1.00 1.17 C ATOM 0 H VAL A 63 3.577 5.956 8.850 1.00 0.42 H new ATOM 0 HA VAL A 63 1.500 7.818 9.789 1.00 0.50 H new ATOM 0 HB VAL A 63 4.202 8.356 8.501 1.00 0.61 H new ATOM 0 HG11 VAL A 63 3.837 10.674 9.251 1.00 0.98 H new ATOM 0 HG12 VAL A 63 2.586 10.141 8.103 1.00 0.98 H new ATOM 0 HG13 VAL A 63 2.221 10.221 9.843 1.00 0.98 H new ATOM 0 HG21 VAL A 63 4.923 9.062 10.752 1.00 1.17 H new ATOM 0 HG22 VAL A 63 3.357 8.533 11.412 1.00 1.17 H new ATOM 0 HG23 VAL A 63 4.475 7.340 10.708 1.00 1.17 H new ATOM 961 N CYS A 64 0.567 8.347 7.537 1.00 0.49 N ATOM 962 CA CYS A 64 -0.113 8.503 6.257 1.00 0.49 C ATOM 963 C CYS A 64 0.620 9.490 5.353 1.00 0.47 C ATOM 964 O CYS A 64 1.064 10.555 5.795 1.00 0.51 O ATOM 965 CB CYS A 64 -1.556 8.967 6.485 1.00 0.59 C ATOM 966 SG CYS A 64 -2.536 9.111 4.970 1.00 1.68 S ATOM 0 H CYS A 64 0.065 8.752 8.327 1.00 0.49 H new ATOM 0 HA CYS A 64 -0.119 7.534 5.757 1.00 0.49 H new ATOM 0 HB2 CYS A 64 -2.049 8.266 7.158 1.00 0.59 H new ATOM 0 HB3 CYS A 64 -1.540 9.934 6.988 1.00 0.59 H new ATOM 0 HG CYS A 64 -3.738 9.506 5.267 1.00 1.68 H new ATOM 972 N MET A 65 0.751 9.128 4.084 1.00 0.48 N ATOM 973 CA MET A 65 1.415 9.977 3.108 1.00 0.53 C ATOM 974 C MET A 65 0.459 10.343 1.977 1.00 0.61 C ATOM 975 O MET A 65 0.605 9.885 0.846 1.00 0.81 O ATOM 976 CB MET A 65 2.661 9.285 2.551 1.00 0.61 C ATOM 977 CG MET A 65 3.729 9.024 3.601 1.00 0.63 C ATOM 978 SD MET A 65 4.243 10.534 4.444 1.00 0.61 S ATOM 979 CE MET A 65 5.448 9.896 5.599 1.00 0.74 C ATOM 0 H MET A 65 0.404 8.247 3.706 1.00 0.48 H new ATOM 0 HA MET A 65 1.725 10.894 3.608 1.00 0.53 H new ATOM 0 HB2 MET A 65 2.369 8.338 2.098 1.00 0.61 H new ATOM 0 HB3 MET A 65 3.085 9.901 1.758 1.00 0.61 H new ATOM 0 HG2 MET A 65 3.349 8.313 4.334 1.00 0.63 H new ATOM 0 HG3 MET A 65 4.595 8.562 3.128 1.00 0.63 H new ATOM 0 HE1 MET A 65 5.980 10.725 6.065 1.00 0.74 H new ATOM 0 HE2 MET A 65 4.942 9.312 6.368 1.00 0.74 H new ATOM 0 HE3 MET A 65 6.158 9.261 5.070 1.00 0.74 H new ATOM 989 N GLU A 66 -0.530 11.164 2.302 1.00 0.83 N ATOM 990 CA GLU A 66 -1.505 11.624 1.323 1.00 1.01 C ATOM 991 C GLU A 66 -1.128 13.012 0.809 1.00 1.08 C ATOM 992 O GLU A 66 -0.834 13.192 -0.374 1.00 1.86 O ATOM 993 CB GLU A 66 -2.908 11.631 1.947 1.00 1.29 C ATOM 994 CG GLU A 66 -3.977 12.303 1.095 1.00 2.19 C ATOM 995 CD GLU A 66 -4.144 11.686 -0.281 1.00 3.03 C ATOM 996 OE1 GLU A 66 -3.582 10.601 -0.538 1.00 3.75 O ATOM 997 OE2 GLU A 66 -4.834 12.300 -1.119 1.00 3.33 O ATOM 0 H GLU A 66 -0.679 11.527 3.243 1.00 0.83 H new ATOM 0 HA GLU A 66 -1.508 10.940 0.474 1.00 1.01 H new ATOM 0 HB2 GLU A 66 -3.210 10.602 2.141 1.00 1.29 H new ATOM 0 HB3 GLU A 66 -2.860 12.136 2.912 1.00 1.29 H new ATOM 0 HG2 GLU A 66 -4.930 12.256 1.622 1.00 2.19 H new ATOM 0 HG3 GLU A 66 -3.727 13.358 0.982 1.00 2.19 H new ATOM 1004 N GLY A 67 -1.103 13.981 1.715 1.00 1.21 N ATOM 1005 CA GLY A 67 -0.772 15.343 1.347 1.00 1.36 C ATOM 1006 C GLY A 67 0.689 15.648 1.595 1.00 1.24 C ATOM 1007 O GLY A 67 1.034 16.712 2.109 1.00 1.47 O ATOM 0 H GLY A 67 -1.308 13.846 2.705 1.00 1.21 H new ATOM 0 HA2 GLY A 67 -1.004 15.502 0.294 1.00 1.36 H new ATOM 0 HA3 GLY A 67 -1.391 16.035 1.918 1.00 1.36 H new ATOM 1011 N LYS A 68 1.540 14.692 1.261 1.00 0.97 N ATOM 1012 CA LYS A 68 2.978 14.838 1.428 1.00 0.87 C ATOM 1013 C LYS A 68 3.645 15.019 0.073 1.00 0.90 C ATOM 1014 O LYS A 68 2.972 15.059 -0.957 1.00 1.06 O ATOM 1015 CB LYS A 68 3.546 13.602 2.123 1.00 0.73 C ATOM 1016 CG LYS A 68 2.815 13.243 3.401 1.00 1.24 C ATOM 1017 CD LYS A 68 2.883 14.361 4.421 1.00 2.01 C ATOM 1018 CE LYS A 68 2.056 14.031 5.647 1.00 2.81 C ATOM 1019 NZ LYS A 68 2.581 12.846 6.385 1.00 3.36 N ATOM 0 H LYS A 68 1.255 13.795 0.868 1.00 0.97 H new ATOM 0 HA LYS A 68 3.176 15.718 2.041 1.00 0.87 H new ATOM 0 HB2 LYS A 68 3.502 12.756 1.437 1.00 0.73 H new ATOM 0 HB3 LYS A 68 4.598 13.773 2.350 1.00 0.73 H new ATOM 0 HG2 LYS A 68 1.772 13.022 3.173 1.00 1.24 H new ATOM 0 HG3 LYS A 68 3.248 12.337 3.825 1.00 1.24 H new ATOM 0 HD2 LYS A 68 3.920 14.529 4.712 1.00 2.01 H new ATOM 0 HD3 LYS A 68 2.523 15.288 3.974 1.00 2.01 H new ATOM 0 HE2 LYS A 68 2.040 14.893 6.314 1.00 2.81 H new ATOM 0 HE3 LYS A 68 1.026 13.841 5.347 1.00 2.81 H new ATOM 0 HZ1 LYS A 68 2.453 12.989 7.407 1.00 3.36 H new ATOM 0 HZ2 LYS A 68 2.064 11.994 6.087 1.00 3.36 H new ATOM 0 HZ3 LYS A 68 3.593 12.727 6.176 1.00 3.36 H new ATOM 1033 N GLN A 69 4.966 15.134 0.072 1.00 0.87 N ATOM 1034 CA GLN A 69 5.716 15.287 -1.164 1.00 0.93 C ATOM 1035 C GLN A 69 6.803 14.226 -1.277 1.00 0.81 C ATOM 1036 O GLN A 69 7.055 13.492 -0.319 1.00 0.74 O ATOM 1037 CB GLN A 69 6.332 16.682 -1.242 1.00 1.07 C ATOM 1038 CG GLN A 69 5.307 17.790 -1.397 1.00 1.33 C ATOM 1039 CD GLN A 69 4.640 17.776 -2.759 1.00 2.12 C ATOM 1040 OE1 GLN A 69 5.113 18.415 -3.696 1.00 2.64 O ATOM 1041 NE2 GLN A 69 3.545 17.044 -2.886 1.00 2.89 N ATOM 0 H GLN A 69 5.540 15.124 0.915 1.00 0.87 H new ATOM 0 HA GLN A 69 5.025 15.159 -1.997 1.00 0.93 H new ATOM 0 HB2 GLN A 69 6.917 16.863 -0.340 1.00 1.07 H new ATOM 0 HB3 GLN A 69 7.024 16.718 -2.083 1.00 1.07 H new ATOM 0 HG2 GLN A 69 4.547 17.689 -0.622 1.00 1.33 H new ATOM 0 HG3 GLN A 69 5.792 18.754 -1.243 1.00 1.33 H new ATOM 0 HE21 GLN A 69 3.182 16.527 -2.085 1.00 2.89 H new ATOM 0 HE22 GLN A 69 3.064 16.997 -3.784 1.00 2.89 H new ATOM 1050 N HIS A 70 7.449 14.167 -2.436 1.00 0.84 N ATOM 1051 CA HIS A 70 8.451 13.142 -2.729 1.00 0.79 C ATOM 1052 C HIS A 70 9.549 13.116 -1.665 1.00 0.70 C ATOM 1053 O HIS A 70 9.940 12.052 -1.185 1.00 0.65 O ATOM 1054 CB HIS A 70 9.066 13.421 -4.107 1.00 0.88 C ATOM 1055 CG HIS A 70 10.001 12.360 -4.598 1.00 0.90 C ATOM 1056 ND1 HIS A 70 9.595 11.333 -5.410 1.00 1.42 N ATOM 1057 CD2 HIS A 70 11.332 12.191 -4.415 1.00 1.37 C ATOM 1058 CE1 HIS A 70 10.630 10.571 -5.707 1.00 1.31 C ATOM 1059 NE2 HIS A 70 11.701 11.069 -5.115 1.00 1.13 N ATOM 0 H HIS A 70 7.295 14.826 -3.199 1.00 0.84 H new ATOM 0 HA HIS A 70 7.962 12.168 -2.727 1.00 0.79 H new ATOM 0 HB2 HIS A 70 8.261 13.541 -4.832 1.00 0.88 H new ATOM 0 HB3 HIS A 70 9.602 14.369 -4.066 1.00 0.88 H new ATOM 0 HD2 HIS A 70 11.983 12.822 -3.827 1.00 1.37 H new ATOM 0 HE1 HIS A 70 10.606 9.689 -6.329 1.00 1.31 H new ATOM 0 HE2 HIS A 70 12.644 10.684 -5.169 1.00 1.13 H new ATOM 1068 N GLY A 71 10.017 14.296 -1.282 1.00 0.72 N ATOM 1069 CA GLY A 71 11.101 14.394 -0.326 1.00 0.69 C ATOM 1070 C GLY A 71 10.712 13.927 1.061 1.00 0.62 C ATOM 1071 O GLY A 71 11.531 13.346 1.777 1.00 0.62 O ATOM 0 H GLY A 71 9.663 15.191 -1.619 1.00 0.72 H new ATOM 0 HA2 GLY A 71 11.944 13.801 -0.680 1.00 0.69 H new ATOM 0 HA3 GLY A 71 11.439 15.429 -0.273 1.00 0.69 H new ATOM 1075 N ASP A 72 9.460 14.170 1.435 1.00 0.61 N ATOM 1076 CA ASP A 72 8.980 13.834 2.775 1.00 0.58 C ATOM 1077 C ASP A 72 8.861 12.328 2.940 1.00 0.49 C ATOM 1078 O ASP A 72 9.321 11.765 3.933 1.00 0.44 O ATOM 1079 CB ASP A 72 7.627 14.493 3.046 1.00 0.68 C ATOM 1080 CG ASP A 72 7.221 14.398 4.503 1.00 1.16 C ATOM 1081 OD1 ASP A 72 7.864 15.047 5.349 1.00 1.47 O ATOM 1082 OD2 ASP A 72 6.264 13.651 4.810 1.00 2.03 O ATOM 0 H ASP A 72 8.758 14.598 0.831 1.00 0.61 H new ATOM 0 HA ASP A 72 9.706 14.211 3.496 1.00 0.58 H new ATOM 0 HB2 ASP A 72 7.671 15.541 2.751 1.00 0.68 H new ATOM 0 HB3 ASP A 72 6.865 14.020 2.427 1.00 0.68 H new ATOM 1087 N VAL A 73 8.262 11.680 1.948 1.00 0.50 N ATOM 1088 CA VAL A 73 8.070 10.235 1.980 1.00 0.45 C ATOM 1089 C VAL A 73 9.412 9.512 2.049 1.00 0.44 C ATOM 1090 O VAL A 73 9.593 8.595 2.848 1.00 0.43 O ATOM 1091 CB VAL A 73 7.281 9.741 0.747 1.00 0.51 C ATOM 1092 CG1 VAL A 73 7.052 8.236 0.811 1.00 1.08 C ATOM 1093 CG2 VAL A 73 5.956 10.479 0.631 1.00 0.97 C ATOM 0 H VAL A 73 7.900 12.134 1.109 1.00 0.50 H new ATOM 0 HA VAL A 73 7.492 10.007 2.875 1.00 0.45 H new ATOM 0 HB VAL A 73 7.875 9.954 -0.142 1.00 0.51 H new ATOM 0 HG11 VAL A 73 6.494 7.915 -0.069 1.00 1.08 H new ATOM 0 HG12 VAL A 73 8.013 7.723 0.839 1.00 1.08 H new ATOM 0 HG13 VAL A 73 6.484 7.992 1.709 1.00 1.08 H new ATOM 0 HG21 VAL A 73 5.414 10.118 -0.243 1.00 0.97 H new ATOM 0 HG22 VAL A 73 5.361 10.301 1.526 1.00 0.97 H new ATOM 0 HG23 VAL A 73 6.143 11.548 0.526 1.00 0.97 H new ATOM 1103 N VAL A 74 10.359 9.946 1.220 1.00 0.49 N ATOM 1104 CA VAL A 74 11.685 9.336 1.193 1.00 0.53 C ATOM 1105 C VAL A 74 12.422 9.575 2.510 1.00 0.51 C ATOM 1106 O VAL A 74 13.140 8.701 3.000 1.00 0.52 O ATOM 1107 CB VAL A 74 12.533 9.867 0.014 1.00 0.64 C ATOM 1108 CG1 VAL A 74 13.931 9.259 0.021 1.00 0.72 C ATOM 1109 CG2 VAL A 74 11.839 9.585 -1.310 1.00 0.70 C ATOM 0 H VAL A 74 10.233 10.714 0.561 1.00 0.49 H new ATOM 0 HA VAL A 74 11.542 8.264 1.055 1.00 0.53 H new ATOM 0 HB VAL A 74 12.635 10.946 0.134 1.00 0.64 H new ATOM 0 HG11 VAL A 74 14.503 9.652 -0.820 1.00 0.72 H new ATOM 0 HG12 VAL A 74 14.434 9.515 0.953 1.00 0.72 H new ATOM 0 HG13 VAL A 74 13.857 8.175 -0.066 1.00 0.72 H new ATOM 0 HG21 VAL A 74 12.449 9.965 -2.129 1.00 0.70 H new ATOM 0 HG22 VAL A 74 11.703 8.510 -1.428 1.00 0.70 H new ATOM 0 HG23 VAL A 74 10.867 10.077 -1.323 1.00 0.70 H new ATOM 1119 N SER A 75 12.229 10.751 3.094 1.00 0.51 N ATOM 1120 CA SER A 75 12.855 11.070 4.367 1.00 0.52 C ATOM 1121 C SER A 75 12.292 10.171 5.460 1.00 0.47 C ATOM 1122 O SER A 75 13.015 9.747 6.361 1.00 0.51 O ATOM 1123 CB SER A 75 12.632 12.540 4.728 1.00 0.58 C ATOM 1124 OG SER A 75 13.470 12.938 5.800 1.00 0.66 O ATOM 0 H SER A 75 11.647 11.495 2.708 1.00 0.51 H new ATOM 0 HA SER A 75 13.928 10.899 4.278 1.00 0.52 H new ATOM 0 HB2 SER A 75 12.830 13.165 3.857 1.00 0.58 H new ATOM 0 HB3 SER A 75 11.588 12.696 5.002 1.00 0.58 H new ATOM 0 HG SER A 75 13.308 13.882 6.009 1.00 0.66 H new ATOM 1130 N ALA A 76 10.999 9.871 5.358 1.00 0.42 N ATOM 1131 CA ALA A 76 10.326 8.999 6.312 1.00 0.39 C ATOM 1132 C ALA A 76 10.914 7.591 6.278 1.00 0.37 C ATOM 1133 O ALA A 76 11.012 6.928 7.308 1.00 0.39 O ATOM 1134 CB ALA A 76 8.832 8.963 6.034 1.00 0.39 C ATOM 0 H ALA A 76 10.394 10.224 4.617 1.00 0.42 H new ATOM 0 HA ALA A 76 10.484 9.403 7.312 1.00 0.39 H new ATOM 0 HB1 ALA A 76 8.343 8.307 6.755 1.00 0.39 H new ATOM 0 HB2 ALA A 76 8.421 9.969 6.122 1.00 0.39 H new ATOM 0 HB3 ALA A 76 8.658 8.587 5.026 1.00 0.39 H new ATOM 1140 N ILE A 77 11.317 7.143 5.092 1.00 0.37 N ATOM 1141 CA ILE A 77 11.949 5.833 4.947 1.00 0.39 C ATOM 1142 C ILE A 77 13.189 5.765 5.836 1.00 0.41 C ATOM 1143 O ILE A 77 13.425 4.781 6.539 1.00 0.44 O ATOM 1144 CB ILE A 77 12.390 5.559 3.487 1.00 0.45 C ATOM 1145 CG1 ILE A 77 11.292 5.948 2.488 1.00 0.53 C ATOM 1146 CG2 ILE A 77 12.776 4.095 3.309 1.00 0.50 C ATOM 1147 CD1 ILE A 77 9.999 5.184 2.655 1.00 0.69 C ATOM 0 H ILE A 77 11.218 7.664 4.221 1.00 0.37 H new ATOM 0 HA ILE A 77 11.212 5.084 5.237 1.00 0.39 H new ATOM 0 HB ILE A 77 13.263 6.179 3.283 1.00 0.45 H new ATOM 0 HG12 ILE A 77 11.086 7.014 2.589 1.00 0.53 H new ATOM 0 HG13 ILE A 77 11.665 5.790 1.476 1.00 0.53 H new ATOM 0 HG21 ILE A 77 13.083 3.922 2.277 1.00 0.50 H new ATOM 0 HG22 ILE A 77 13.601 3.852 3.978 1.00 0.50 H new ATOM 0 HG23 ILE A 77 11.920 3.462 3.544 1.00 0.50 H new ATOM 0 HD11 ILE A 77 9.278 5.521 1.910 1.00 0.69 H new ATOM 0 HD12 ILE A 77 10.186 4.118 2.523 1.00 0.69 H new ATOM 0 HD13 ILE A 77 9.598 5.361 3.653 1.00 0.69 H new ATOM 1159 N ARG A 78 13.968 6.840 5.796 1.00 0.43 N ATOM 1160 CA ARG A 78 15.196 6.950 6.570 1.00 0.50 C ATOM 1161 C ARG A 78 14.891 7.219 8.042 1.00 0.50 C ATOM 1162 O ARG A 78 15.649 6.825 8.929 1.00 0.56 O ATOM 1163 CB ARG A 78 16.054 8.080 6.001 1.00 0.58 C ATOM 1164 CG ARG A 78 16.228 8.000 4.493 1.00 0.66 C ATOM 1165 CD ARG A 78 17.038 9.168 3.956 1.00 0.89 C ATOM 1166 NE ARG A 78 18.450 9.067 4.313 1.00 1.59 N ATOM 1167 CZ ARG A 78 19.346 10.023 4.084 1.00 2.11 C ATOM 1168 NH1 ARG A 78 18.968 11.189 3.575 1.00 2.12 N ATOM 1169 NH2 ARG A 78 20.621 9.808 4.379 1.00 3.09 N ATOM 0 H ARG A 78 13.764 7.660 5.225 1.00 0.43 H new ATOM 0 HA ARG A 78 15.738 6.006 6.503 1.00 0.50 H new ATOM 0 HB2 ARG A 78 15.599 9.037 6.257 1.00 0.58 H new ATOM 0 HB3 ARG A 78 17.035 8.056 6.475 1.00 0.58 H new ATOM 0 HG2 ARG A 78 16.723 7.064 4.233 1.00 0.66 H new ATOM 0 HG3 ARG A 78 15.249 7.986 4.014 1.00 0.66 H new ATOM 0 HD2 ARG A 78 16.941 9.208 2.871 1.00 0.89 H new ATOM 0 HD3 ARG A 78 16.631 10.101 4.347 1.00 0.89 H new ATOM 0 HE ARG A 78 18.769 8.211 4.766 1.00 1.59 H new ATOM 0 HH11 ARG A 78 17.986 11.356 3.357 1.00 2.12 H new ATOM 0 HH12 ARG A 78 19.660 11.918 3.402 1.00 2.12 H new ATOM 0 HH21 ARG A 78 20.908 8.915 4.778 1.00 3.09 H new ATOM 0 HH22 ARG A 78 21.314 10.536 4.206 1.00 3.09 H new ATOM 1183 N ALA A 79 13.767 7.881 8.291 1.00 0.47 N ATOM 1184 CA ALA A 79 13.380 8.284 9.641 1.00 0.51 C ATOM 1185 C ALA A 79 12.886 7.099 10.468 1.00 0.43 C ATOM 1186 O ALA A 79 12.612 7.235 11.660 1.00 0.46 O ATOM 1187 CB ALA A 79 12.315 9.367 9.586 1.00 0.65 C ATOM 0 H ALA A 79 13.100 8.153 7.568 1.00 0.47 H new ATOM 0 HA ALA A 79 14.269 8.681 10.131 1.00 0.51 H new ATOM 0 HB1 ALA A 79 12.038 9.656 10.600 1.00 0.65 H new ATOM 0 HB2 ALA A 79 12.706 10.235 9.055 1.00 0.65 H new ATOM 0 HB3 ALA A 79 11.437 8.987 9.064 1.00 0.65 H new ATOM 1193 N GLY A 80 12.764 5.941 9.835 1.00 0.41 N ATOM 1194 CA GLY A 80 12.380 4.743 10.560 1.00 0.42 C ATOM 1195 C GLY A 80 13.522 4.200 11.400 1.00 0.46 C ATOM 1196 O GLY A 80 13.323 3.341 12.262 1.00 0.60 O ATOM 0 H GLY A 80 12.923 5.808 8.836 1.00 0.41 H new ATOM 0 HA2 GLY A 80 11.529 4.965 11.204 1.00 0.42 H new ATOM 0 HA3 GLY A 80 12.054 3.980 9.853 1.00 0.42 H new ATOM 1200 N GLY A 81 14.718 4.714 11.160 1.00 0.49 N ATOM 1201 CA GLY A 81 15.888 4.225 11.850 1.00 0.63 C ATOM 1202 C GLY A 81 16.628 3.215 11.009 1.00 0.64 C ATOM 1203 O GLY A 81 16.969 3.495 9.861 1.00 1.10 O ATOM 0 H GLY A 81 14.898 5.466 10.495 1.00 0.49 H new ATOM 0 HA2 GLY A 81 16.549 5.058 12.089 1.00 0.63 H new ATOM 0 HA3 GLY A 81 15.593 3.770 12.796 1.00 0.63 H new ATOM 1207 N ASP A 82 16.872 2.038 11.562 1.00 0.43 N ATOM 1208 CA ASP A 82 17.494 0.966 10.800 1.00 0.44 C ATOM 1209 C ASP A 82 16.428 0.058 10.214 1.00 0.39 C ATOM 1210 O ASP A 82 16.693 -0.696 9.286 1.00 0.55 O ATOM 1211 CB ASP A 82 18.463 0.146 11.655 1.00 0.55 C ATOM 1212 CG ASP A 82 19.697 0.929 12.061 1.00 1.41 C ATOM 1213 OD1 ASP A 82 20.402 1.455 11.170 1.00 1.97 O ATOM 1214 OD2 ASP A 82 19.979 1.009 13.272 1.00 2.12 O ATOM 0 H ASP A 82 16.651 1.801 12.529 1.00 0.43 H new ATOM 0 HA ASP A 82 18.068 1.425 9.995 1.00 0.44 H new ATOM 0 HB2 ASP A 82 17.947 -0.199 12.551 1.00 0.55 H new ATOM 0 HB3 ASP A 82 18.768 -0.741 11.100 1.00 0.55 H new ATOM 1219 N GLU A 83 15.216 0.155 10.745 1.00 0.38 N ATOM 1220 CA GLU A 83 14.099 -0.638 10.252 1.00 0.39 C ATOM 1221 C GLU A 83 13.009 0.295 9.752 1.00 0.38 C ATOM 1222 O GLU A 83 12.738 1.325 10.368 1.00 0.53 O ATOM 1223 CB GLU A 83 13.503 -1.516 11.354 1.00 0.47 C ATOM 1224 CG GLU A 83 14.507 -2.079 12.341 1.00 0.86 C ATOM 1225 CD GLU A 83 13.842 -2.927 13.401 1.00 1.62 C ATOM 1226 OE1 GLU A 83 13.400 -2.364 14.425 1.00 2.00 O ATOM 1227 OE2 GLU A 83 13.731 -4.152 13.205 1.00 2.11 O ATOM 0 H GLU A 83 14.982 0.777 11.519 1.00 0.38 H new ATOM 0 HA GLU A 83 14.471 -1.279 9.452 1.00 0.39 H new ATOM 0 HB2 GLU A 83 12.765 -0.932 11.904 1.00 0.47 H new ATOM 0 HB3 GLU A 83 12.970 -2.345 10.888 1.00 0.47 H new ATOM 0 HG2 GLU A 83 15.244 -2.678 11.807 1.00 0.86 H new ATOM 0 HG3 GLU A 83 15.046 -1.260 12.817 1.00 0.86 H new ATOM 1234 N THR A 84 12.376 -0.054 8.653 1.00 0.27 N ATOM 1235 CA THR A 84 11.304 0.756 8.124 1.00 0.26 C ATOM 1236 C THR A 84 10.074 -0.105 7.836 1.00 0.22 C ATOM 1237 O THR A 84 10.190 -1.283 7.482 1.00 0.21 O ATOM 1238 CB THR A 84 11.750 1.515 6.852 1.00 0.30 C ATOM 1239 OG1 THR A 84 10.851 2.594 6.584 1.00 0.32 O ATOM 1240 CG2 THR A 84 11.817 0.600 5.639 1.00 0.30 C ATOM 0 H THR A 84 12.586 -0.892 8.110 1.00 0.27 H new ATOM 0 HA THR A 84 11.039 1.497 8.878 1.00 0.26 H new ATOM 0 HB THR A 84 12.752 1.902 7.039 1.00 0.30 H new ATOM 0 HG1 THR A 84 11.044 2.969 5.699 1.00 0.32 H new ATOM 0 HG21 THR A 84 12.134 1.173 4.768 1.00 0.30 H new ATOM 0 HG22 THR A 84 12.532 -0.201 5.826 1.00 0.30 H new ATOM 0 HG23 THR A 84 10.833 0.171 5.452 1.00 0.30 H new ATOM 1248 N LYS A 85 8.902 0.475 8.038 1.00 0.24 N ATOM 1249 CA LYS A 85 7.654 -0.199 7.735 1.00 0.23 C ATOM 1250 C LYS A 85 6.952 0.508 6.591 1.00 0.23 C ATOM 1251 O LYS A 85 6.585 1.680 6.704 1.00 0.26 O ATOM 1252 CB LYS A 85 6.734 -0.241 8.958 1.00 0.28 C ATOM 1253 CG LYS A 85 7.148 -1.257 10.013 1.00 0.37 C ATOM 1254 CD LYS A 85 6.286 -1.139 11.260 1.00 0.50 C ATOM 1255 CE LYS A 85 6.553 -2.268 12.249 1.00 0.78 C ATOM 1256 NZ LYS A 85 5.981 -3.565 11.792 1.00 1.63 N ATOM 0 H LYS A 85 8.791 1.417 8.413 1.00 0.24 H new ATOM 0 HA LYS A 85 7.885 -1.225 7.447 1.00 0.23 H new ATOM 0 HB2 LYS A 85 6.707 0.749 9.413 1.00 0.28 H new ATOM 0 HB3 LYS A 85 5.720 -0.468 8.629 1.00 0.28 H new ATOM 0 HG2 LYS A 85 7.064 -2.264 9.604 1.00 0.37 H new ATOM 0 HG3 LYS A 85 8.195 -1.106 10.276 1.00 0.37 H new ATOM 0 HD2 LYS A 85 6.477 -0.181 11.743 1.00 0.50 H new ATOM 0 HD3 LYS A 85 5.234 -1.148 10.975 1.00 0.50 H new ATOM 0 HE2 LYS A 85 7.628 -2.377 12.391 1.00 0.78 H new ATOM 0 HE3 LYS A 85 6.128 -2.007 13.218 1.00 0.78 H new ATOM 0 HZ1 LYS A 85 5.958 -4.234 12.588 1.00 1.63 H new ATOM 0 HZ2 LYS A 85 5.014 -3.413 11.440 1.00 1.63 H new ATOM 0 HZ3 LYS A 85 6.570 -3.955 11.029 1.00 1.63 H new ATOM 1270 N LEU A 86 6.772 -0.207 5.496 1.00 0.22 N ATOM 1271 CA LEU A 86 6.146 0.350 4.313 1.00 0.22 C ATOM 1272 C LEU A 86 4.774 -0.263 4.110 1.00 0.22 C ATOM 1273 O LEU A 86 4.597 -1.475 4.247 1.00 0.27 O ATOM 1274 CB LEU A 86 7.014 0.094 3.077 1.00 0.24 C ATOM 1275 CG LEU A 86 8.436 0.654 3.149 1.00 0.25 C ATOM 1276 CD1 LEU A 86 9.193 0.352 1.866 1.00 0.28 C ATOM 1277 CD2 LEU A 86 8.404 2.150 3.410 1.00 0.28 C ATOM 0 H LEU A 86 7.053 -1.183 5.402 1.00 0.22 H new ATOM 0 HA LEU A 86 6.041 1.426 4.453 1.00 0.22 H new ATOM 0 HB2 LEU A 86 7.073 -0.982 2.911 1.00 0.24 H new ATOM 0 HB3 LEU A 86 6.516 0.524 2.208 1.00 0.24 H new ATOM 0 HG LEU A 86 8.956 0.171 3.976 1.00 0.25 H new ATOM 0 HD11 LEU A 86 10.202 0.758 1.935 1.00 0.28 H new ATOM 0 HD12 LEU A 86 9.245 -0.727 1.719 1.00 0.28 H new ATOM 0 HD13 LEU A 86 8.675 0.808 1.022 1.00 0.28 H new ATOM 0 HD21 LEU A 86 9.423 2.533 3.458 1.00 0.28 H new ATOM 0 HD22 LEU A 86 7.867 2.649 2.603 1.00 0.28 H new ATOM 0 HD23 LEU A 86 7.899 2.344 4.356 1.00 0.28 H new ATOM 1289 N LEU A 87 3.805 0.575 3.794 1.00 0.20 N ATOM 1290 CA LEU A 87 2.471 0.102 3.487 1.00 0.21 C ATOM 1291 C LEU A 87 2.233 0.166 1.993 1.00 0.21 C ATOM 1292 O LEU A 87 2.247 1.243 1.401 1.00 0.26 O ATOM 1293 CB LEU A 87 1.412 0.935 4.205 1.00 0.27 C ATOM 1294 CG LEU A 87 -0.027 0.568 3.842 1.00 0.39 C ATOM 1295 CD1 LEU A 87 -0.287 -0.884 4.157 1.00 0.51 C ATOM 1296 CD2 LEU A 87 -1.006 1.456 4.580 1.00 0.45 C ATOM 0 H LEU A 87 3.918 1.587 3.743 1.00 0.20 H new ATOM 0 HA LEU A 87 2.392 -0.929 3.830 1.00 0.21 H new ATOM 0 HB2 LEU A 87 1.544 0.820 5.281 1.00 0.27 H new ATOM 0 HB3 LEU A 87 1.576 1.988 3.974 1.00 0.27 H new ATOM 0 HG LEU A 87 -0.167 0.724 2.772 1.00 0.39 H new ATOM 0 HD11 LEU A 87 -1.315 -1.135 3.895 1.00 0.51 H new ATOM 0 HD12 LEU A 87 0.397 -1.509 3.583 1.00 0.51 H new ATOM 0 HD13 LEU A 87 -0.131 -1.059 5.222 1.00 0.51 H new ATOM 0 HD21 LEU A 87 -2.025 1.179 4.308 1.00 0.45 H new ATOM 0 HD22 LEU A 87 -0.871 1.332 5.654 1.00 0.45 H new ATOM 0 HD23 LEU A 87 -0.828 2.497 4.309 1.00 0.45 H new ATOM 1308 N VAL A 88 2.016 -0.986 1.393 1.00 0.20 N ATOM 1309 CA VAL A 88 1.822 -1.068 -0.040 1.00 0.23 C ATOM 1310 C VAL A 88 0.547 -1.832 -0.368 1.00 0.24 C ATOM 1311 O VAL A 88 0.029 -2.588 0.460 1.00 0.27 O ATOM 1312 CB VAL A 88 3.027 -1.731 -0.739 1.00 0.28 C ATOM 1313 CG1 VAL A 88 4.219 -0.786 -0.775 1.00 0.31 C ATOM 1314 CG2 VAL A 88 3.406 -3.034 -0.048 1.00 0.33 C ATOM 0 H VAL A 88 1.969 -1.882 1.878 1.00 0.20 H new ATOM 0 HA VAL A 88 1.732 -0.048 -0.414 1.00 0.23 H new ATOM 0 HB VAL A 88 2.735 -1.958 -1.765 1.00 0.28 H new ATOM 0 HG11 VAL A 88 5.056 -1.275 -1.272 1.00 0.31 H new ATOM 0 HG12 VAL A 88 3.950 0.118 -1.322 1.00 0.31 H new ATOM 0 HG13 VAL A 88 4.505 -0.523 0.243 1.00 0.31 H new ATOM 0 HG21 VAL A 88 4.258 -3.482 -0.559 1.00 0.33 H new ATOM 0 HG22 VAL A 88 3.671 -2.832 0.990 1.00 0.33 H new ATOM 0 HG23 VAL A 88 2.561 -3.722 -0.079 1.00 0.33 H new ATOM 1324 N VAL A 89 0.038 -1.621 -1.569 1.00 0.24 N ATOM 1325 CA VAL A 89 -1.204 -2.243 -1.998 1.00 0.27 C ATOM 1326 C VAL A 89 -1.025 -2.933 -3.341 1.00 0.34 C ATOM 1327 O VAL A 89 -0.237 -2.490 -4.176 1.00 0.42 O ATOM 1328 CB VAL A 89 -2.345 -1.211 -2.106 1.00 0.25 C ATOM 1329 CG1 VAL A 89 -2.746 -0.707 -0.727 1.00 0.29 C ATOM 1330 CG2 VAL A 89 -1.943 -0.046 -3.002 1.00 0.30 C ATOM 0 H VAL A 89 0.469 -1.019 -2.270 1.00 0.24 H new ATOM 0 HA VAL A 89 -1.471 -2.982 -1.242 1.00 0.27 H new ATOM 0 HB VAL A 89 -3.205 -1.707 -2.557 1.00 0.25 H new ATOM 0 HG11 VAL A 89 -3.552 0.020 -0.826 1.00 0.29 H new ATOM 0 HG12 VAL A 89 -3.085 -1.545 -0.118 1.00 0.29 H new ATOM 0 HG13 VAL A 89 -1.888 -0.235 -0.249 1.00 0.29 H new ATOM 0 HG21 VAL A 89 -2.765 0.668 -3.062 1.00 0.30 H new ATOM 0 HG22 VAL A 89 -1.064 0.447 -2.586 1.00 0.30 H new ATOM 0 HG23 VAL A 89 -1.712 -0.418 -4.000 1.00 0.30 H new ATOM 1340 N ASP A 90 -1.764 -4.018 -3.537 1.00 0.41 N ATOM 1341 CA ASP A 90 -1.707 -4.774 -4.779 1.00 0.51 C ATOM 1342 C ASP A 90 -2.597 -4.102 -5.819 1.00 0.48 C ATOM 1343 O ASP A 90 -3.339 -3.173 -5.487 1.00 0.45 O ATOM 1344 CB ASP A 90 -2.164 -6.219 -4.547 1.00 0.68 C ATOM 1345 CG ASP A 90 -1.668 -7.175 -5.615 1.00 1.20 C ATOM 1346 OD1 ASP A 90 -2.281 -7.211 -6.704 1.00 1.92 O ATOM 1347 OD2 ASP A 90 -0.670 -7.887 -5.375 1.00 1.86 O ATOM 0 H ASP A 90 -2.413 -4.395 -2.846 1.00 0.41 H new ATOM 0 HA ASP A 90 -0.679 -4.794 -5.140 1.00 0.51 H new ATOM 0 HB2 ASP A 90 -1.809 -6.555 -3.573 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -3.253 -6.250 -4.517 1.00 0.68 H new ATOM 1352 N ARG A 91 -2.549 -4.571 -7.055 1.00 0.57 N ATOM 1353 CA ARG A 91 -3.309 -3.952 -8.132 1.00 0.61 C ATOM 1354 C ARG A 91 -4.805 -4.008 -7.838 1.00 0.55 C ATOM 1355 O ARG A 91 -5.495 -2.989 -7.899 1.00 0.55 O ATOM 1356 CB ARG A 91 -3.006 -4.655 -9.454 1.00 0.75 C ATOM 1357 CG ARG A 91 -3.821 -4.146 -10.631 1.00 0.82 C ATOM 1358 CD ARG A 91 -3.717 -5.100 -11.803 1.00 1.44 C ATOM 1359 NE ARG A 91 -4.043 -6.463 -11.395 1.00 2.25 N ATOM 1360 CZ ARG A 91 -3.407 -7.546 -11.825 1.00 3.13 C ATOM 1361 NH1 ARG A 91 -2.537 -7.458 -12.825 1.00 3.39 N ATOM 1362 NH2 ARG A 91 -3.688 -8.726 -11.288 1.00 4.16 N ATOM 0 H ARG A 91 -1.993 -5.377 -7.339 1.00 0.57 H new ATOM 0 HA ARG A 91 -3.014 -2.906 -8.208 1.00 0.61 H new ATOM 0 HB2 ARG A 91 -1.947 -4.536 -9.681 1.00 0.75 H new ATOM 0 HB3 ARG A 91 -3.188 -5.723 -9.335 1.00 0.75 H new ATOM 0 HG2 ARG A 91 -4.865 -4.035 -10.337 1.00 0.82 H new ATOM 0 HG3 ARG A 91 -3.466 -3.159 -10.926 1.00 0.82 H new ATOM 0 HD2 ARG A 91 -4.393 -4.782 -12.597 1.00 1.44 H new ATOM 0 HD3 ARG A 91 -2.707 -5.070 -12.213 1.00 1.44 H new ATOM 0 HE ARG A 91 -4.811 -6.592 -10.736 1.00 2.25 H new ATOM 0 HH11 ARG A 91 -2.356 -6.556 -13.265 1.00 3.39 H new ATOM 0 HH12 ARG A 91 -2.050 -8.292 -13.153 1.00 3.39 H new ATOM 0 HH21 ARG A 91 -4.389 -8.797 -10.550 1.00 4.16 H new ATOM 0 HH22 ARG A 91 -3.204 -9.563 -11.613 1.00 4.16 H new ATOM 1376 N GLU A 92 -5.290 -5.192 -7.470 1.00 0.57 N ATOM 1377 CA GLU A 92 -6.702 -5.370 -7.139 1.00 0.61 C ATOM 1378 C GLU A 92 -7.066 -4.544 -5.911 1.00 0.51 C ATOM 1379 O GLU A 92 -8.164 -3.991 -5.819 1.00 0.56 O ATOM 1380 CB GLU A 92 -7.027 -6.848 -6.884 1.00 0.74 C ATOM 1381 CG GLU A 92 -7.411 -7.638 -8.130 1.00 1.44 C ATOM 1382 CD GLU A 92 -6.310 -7.720 -9.166 1.00 1.98 C ATOM 1383 OE1 GLU A 92 -5.478 -8.645 -9.082 1.00 2.26 O ATOM 1384 OE2 GLU A 92 -6.249 -6.840 -10.050 1.00 2.68 O ATOM 0 H GLU A 92 -4.728 -6.040 -7.394 1.00 0.57 H new ATOM 0 HA GLU A 92 -7.291 -5.028 -7.990 1.00 0.61 H new ATOM 0 HB2 GLU A 92 -6.161 -7.322 -6.422 1.00 0.74 H new ATOM 0 HB3 GLU A 92 -7.845 -6.908 -6.166 1.00 0.74 H new ATOM 0 HG2 GLU A 92 -7.695 -8.648 -7.835 1.00 1.44 H new ATOM 0 HG3 GLU A 92 -8.290 -7.179 -8.583 1.00 1.44 H new ATOM 1391 N THR A 93 -6.129 -4.454 -4.979 1.00 0.44 N ATOM 1392 CA THR A 93 -6.337 -3.728 -3.742 1.00 0.38 C ATOM 1393 C THR A 93 -6.541 -2.239 -4.004 1.00 0.33 C ATOM 1394 O THR A 93 -7.519 -1.643 -3.551 1.00 0.37 O ATOM 1395 CB THR A 93 -5.123 -3.901 -2.817 1.00 0.36 C ATOM 1396 OG1 THR A 93 -4.700 -5.271 -2.818 1.00 0.47 O ATOM 1397 CG2 THR A 93 -5.449 -3.468 -1.401 1.00 0.36 C ATOM 0 H THR A 93 -5.207 -4.882 -5.061 1.00 0.44 H new ATOM 0 HA THR A 93 -7.232 -4.133 -3.269 1.00 0.38 H new ATOM 0 HB THR A 93 -4.318 -3.269 -3.192 1.00 0.36 H new ATOM 0 HG1 THR A 93 -4.033 -5.408 -2.113 1.00 0.47 H new ATOM 0 HG21 THR A 93 -4.571 -3.602 -0.769 1.00 0.36 H new ATOM 0 HG22 THR A 93 -5.741 -2.418 -1.400 1.00 0.36 H new ATOM 0 HG23 THR A 93 -6.270 -4.073 -1.015 1.00 0.36 H new ATOM 1405 N ASP A 94 -5.624 -1.649 -4.761 1.00 0.33 N ATOM 1406 CA ASP A 94 -5.635 -0.210 -4.985 1.00 0.39 C ATOM 1407 C ASP A 94 -6.851 0.218 -5.796 1.00 0.43 C ATOM 1408 O ASP A 94 -7.390 1.305 -5.596 1.00 0.50 O ATOM 1409 CB ASP A 94 -4.355 0.237 -5.686 1.00 0.48 C ATOM 1410 CG ASP A 94 -4.264 1.746 -5.787 1.00 0.71 C ATOM 1411 OD1 ASP A 94 -4.456 2.426 -4.761 1.00 0.77 O ATOM 1412 OD2 ASP A 94 -3.992 2.259 -6.891 1.00 1.18 O ATOM 0 H ASP A 94 -4.865 -2.144 -5.229 1.00 0.33 H new ATOM 0 HA ASP A 94 -5.691 0.272 -4.009 1.00 0.39 H new ATOM 0 HB2 ASP A 94 -3.491 -0.143 -5.141 1.00 0.48 H new ATOM 0 HB3 ASP A 94 -4.318 -0.197 -6.685 1.00 0.48 H new ATOM 1417 N GLU A 95 -7.284 -0.632 -6.716 1.00 0.43 N ATOM 1418 CA GLU A 95 -8.487 -0.354 -7.489 1.00 0.49 C ATOM 1419 C GLU A 95 -9.703 -0.317 -6.569 1.00 0.45 C ATOM 1420 O GLU A 95 -10.564 0.556 -6.693 1.00 0.50 O ATOM 1421 CB GLU A 95 -8.688 -1.412 -8.576 1.00 0.60 C ATOM 1422 CG GLU A 95 -7.551 -1.488 -9.579 1.00 0.72 C ATOM 1423 CD GLU A 95 -7.360 -0.196 -10.341 1.00 1.17 C ATOM 1424 OE1 GLU A 95 -6.591 0.665 -9.872 1.00 1.94 O ATOM 1425 OE2 GLU A 95 -7.977 -0.033 -11.412 1.00 1.23 O ATOM 0 H GLU A 95 -6.825 -1.514 -6.945 1.00 0.43 H new ATOM 0 HA GLU A 95 -8.371 0.618 -7.969 1.00 0.49 H new ATOM 0 HB2 GLU A 95 -8.808 -2.387 -8.103 1.00 0.60 H new ATOM 0 HB3 GLU A 95 -9.615 -1.200 -9.108 1.00 0.60 H new ATOM 0 HG2 GLU A 95 -6.627 -1.738 -9.057 1.00 0.72 H new ATOM 0 HG3 GLU A 95 -7.747 -2.296 -10.284 1.00 0.72 H new ATOM 1432 N PHE A 96 -9.746 -1.255 -5.629 1.00 0.41 N ATOM 1433 CA PHE A 96 -10.843 -1.347 -4.670 1.00 0.41 C ATOM 1434 C PHE A 96 -10.910 -0.109 -3.782 1.00 0.36 C ATOM 1435 O PHE A 96 -11.981 0.468 -3.588 1.00 0.40 O ATOM 1436 CB PHE A 96 -10.678 -2.606 -3.808 1.00 0.44 C ATOM 1437 CG PHE A 96 -11.635 -2.688 -2.650 1.00 0.51 C ATOM 1438 CD1 PHE A 96 -12.972 -2.990 -2.854 1.00 0.63 C ATOM 1439 CD2 PHE A 96 -11.193 -2.468 -1.356 1.00 0.52 C ATOM 1440 CE1 PHE A 96 -13.849 -3.069 -1.790 1.00 0.73 C ATOM 1441 CE2 PHE A 96 -12.065 -2.545 -0.286 1.00 0.62 C ATOM 1442 CZ PHE A 96 -13.396 -2.847 -0.504 1.00 0.72 C ATOM 0 H PHE A 96 -9.027 -1.969 -5.510 1.00 0.41 H new ATOM 0 HA PHE A 96 -11.777 -1.409 -5.228 1.00 0.41 H new ATOM 0 HB2 PHE A 96 -10.812 -3.485 -4.439 1.00 0.44 H new ATOM 0 HB3 PHE A 96 -9.658 -2.640 -3.425 1.00 0.44 H new ATOM 0 HD1 PHE A 96 -13.332 -3.166 -3.857 1.00 0.63 H new ATOM 0 HD2 PHE A 96 -10.154 -2.233 -1.181 1.00 0.52 H new ATOM 0 HE1 PHE A 96 -14.889 -3.304 -1.963 1.00 0.73 H new ATOM 0 HE2 PHE A 96 -11.707 -2.370 0.718 1.00 0.62 H new ATOM 0 HZ PHE A 96 -14.080 -2.909 0.329 1.00 0.72 H new ATOM 1452 N PHE A 97 -9.773 0.291 -3.241 1.00 0.32 N ATOM 1453 CA PHE A 97 -9.721 1.455 -2.368 1.00 0.32 C ATOM 1454 C PHE A 97 -10.030 2.747 -3.126 1.00 0.39 C ATOM 1455 O PHE A 97 -10.721 3.622 -2.607 1.00 0.44 O ATOM 1456 CB PHE A 97 -8.366 1.547 -1.664 1.00 0.30 C ATOM 1457 CG PHE A 97 -8.233 0.609 -0.494 1.00 0.29 C ATOM 1458 CD1 PHE A 97 -8.629 0.992 0.776 1.00 0.38 C ATOM 1459 CD2 PHE A 97 -7.707 -0.661 -0.668 1.00 0.37 C ATOM 1460 CE1 PHE A 97 -8.508 0.126 1.846 1.00 0.41 C ATOM 1461 CE2 PHE A 97 -7.584 -1.532 0.397 1.00 0.40 C ATOM 1462 CZ PHE A 97 -7.996 -1.113 1.679 1.00 0.35 C ATOM 0 H PHE A 97 -8.875 -0.170 -3.389 1.00 0.32 H new ATOM 0 HA PHE A 97 -10.494 1.329 -1.610 1.00 0.32 H new ATOM 0 HB2 PHE A 97 -7.576 1.332 -2.384 1.00 0.30 H new ATOM 0 HB3 PHE A 97 -8.213 2.570 -1.319 1.00 0.30 H new ATOM 0 HD1 PHE A 97 -9.037 1.979 0.932 1.00 0.38 H new ATOM 0 HD2 PHE A 97 -7.388 -0.975 -1.651 1.00 0.37 H new ATOM 0 HE1 PHE A 97 -8.827 0.444 2.828 1.00 0.41 H new ATOM 0 HE2 PHE A 97 -7.177 -2.522 0.250 1.00 0.40 H new ATOM 0 HZ PHE A 97 -7.903 -1.780 2.524 1.00 0.35 H new ATOM 1472 N LYS A 98 -9.539 2.855 -4.358 1.00 0.43 N ATOM 1473 CA LYS A 98 -9.746 4.064 -5.160 1.00 0.53 C ATOM 1474 C LYS A 98 -11.209 4.261 -5.547 1.00 0.56 C ATOM 1475 O LYS A 98 -11.724 5.377 -5.498 1.00 0.61 O ATOM 1476 CB LYS A 98 -8.884 4.041 -6.422 1.00 0.63 C ATOM 1477 CG LYS A 98 -7.438 4.459 -6.179 1.00 0.85 C ATOM 1478 CD LYS A 98 -6.748 4.889 -7.468 1.00 1.13 C ATOM 1479 CE LYS A 98 -6.843 3.824 -8.545 1.00 1.31 C ATOM 1480 NZ LYS A 98 -6.308 2.521 -8.083 1.00 1.92 N ATOM 0 H LYS A 98 -8.998 2.126 -4.823 1.00 0.43 H new ATOM 0 HA LYS A 98 -9.447 4.903 -4.532 1.00 0.53 H new ATOM 0 HB2 LYS A 98 -8.897 3.036 -6.843 1.00 0.63 H new ATOM 0 HB3 LYS A 98 -9.325 4.704 -7.166 1.00 0.63 H new ATOM 0 HG2 LYS A 98 -7.413 5.280 -5.462 1.00 0.85 H new ATOM 0 HG3 LYS A 98 -6.890 3.629 -5.733 1.00 0.85 H new ATOM 0 HD2 LYS A 98 -7.199 5.813 -7.830 1.00 1.13 H new ATOM 0 HD3 LYS A 98 -5.699 5.105 -7.263 1.00 1.13 H new ATOM 0 HE2 LYS A 98 -7.884 3.703 -8.845 1.00 1.31 H new ATOM 0 HE3 LYS A 98 -6.293 4.150 -9.427 1.00 1.31 H new ATOM 0 HZ1 LYS A 98 -6.375 1.825 -8.853 1.00 1.92 H new ATOM 0 HZ2 LYS A 98 -5.312 2.634 -7.804 1.00 1.92 H new ATOM 0 HZ3 LYS A 98 -6.860 2.189 -7.267 1.00 1.92 H new ATOM 1494 N LYS A 99 -11.883 3.185 -5.929 1.00 0.55 N ATOM 1495 CA LYS A 99 -13.284 3.273 -6.341 1.00 0.63 C ATOM 1496 C LYS A 99 -14.189 3.622 -5.157 1.00 0.63 C ATOM 1497 O LYS A 99 -15.344 4.006 -5.336 1.00 0.75 O ATOM 1498 CB LYS A 99 -13.750 1.968 -6.991 1.00 0.66 C ATOM 1499 CG LYS A 99 -13.642 0.751 -6.089 1.00 0.60 C ATOM 1500 CD LYS A 99 -14.328 -0.455 -6.702 1.00 0.76 C ATOM 1501 CE LYS A 99 -14.308 -1.647 -5.760 1.00 1.62 C ATOM 1502 NZ LYS A 99 -14.969 -2.837 -6.357 1.00 2.04 N ATOM 0 H LYS A 99 -11.489 2.245 -5.963 1.00 0.55 H new ATOM 0 HA LYS A 99 -13.356 4.073 -7.078 1.00 0.63 H new ATOM 0 HB2 LYS A 99 -14.787 2.082 -7.306 1.00 0.66 H new ATOM 0 HB3 LYS A 99 -13.161 1.793 -7.891 1.00 0.66 H new ATOM 0 HG2 LYS A 99 -12.592 0.522 -5.909 1.00 0.60 H new ATOM 0 HG3 LYS A 99 -14.090 0.973 -5.121 1.00 0.60 H new ATOM 0 HD2 LYS A 99 -15.359 -0.202 -6.948 1.00 0.76 H new ATOM 0 HD3 LYS A 99 -13.833 -0.720 -7.636 1.00 0.76 H new ATOM 0 HE2 LYS A 99 -13.277 -1.893 -5.508 1.00 1.62 H new ATOM 0 HE3 LYS A 99 -14.809 -1.382 -4.829 1.00 1.62 H new ATOM 0 HZ1 LYS A 99 -14.934 -3.628 -5.683 1.00 2.04 H new ATOM 0 HZ2 LYS A 99 -15.961 -2.611 -6.574 1.00 2.04 H new ATOM 0 HZ3 LYS A 99 -14.475 -3.106 -7.232 1.00 2.04 H new ATOM 1516 N CYS A 100 -13.653 3.494 -3.953 1.00 0.55 N ATOM 1517 CA CYS A 100 -14.409 3.766 -2.747 1.00 0.60 C ATOM 1518 C CYS A 100 -13.898 5.053 -2.102 1.00 0.61 C ATOM 1519 O CYS A 100 -14.522 5.605 -1.194 1.00 0.68 O ATOM 1520 CB CYS A 100 -14.298 2.586 -1.773 1.00 0.60 C ATOM 1521 SG CYS A 100 -15.404 2.685 -0.343 1.00 1.39 S ATOM 0 H CYS A 100 -12.690 3.201 -3.788 1.00 0.55 H new ATOM 0 HA CYS A 100 -15.461 3.896 -3.002 1.00 0.60 H new ATOM 0 HB2 CYS A 100 -14.507 1.663 -2.315 1.00 0.60 H new ATOM 0 HB3 CYS A 100 -13.270 2.521 -1.417 1.00 0.60 H new ATOM 0 HG CYS A 100 -15.586 3.931 -0.021 1.00 1.39 H new ATOM 1527 N ARG A 101 -12.750 5.518 -2.611 1.00 0.59 N ATOM 1528 CA ARG A 101 -12.138 6.778 -2.194 1.00 0.65 C ATOM 1529 C ARG A 101 -11.691 6.723 -0.741 1.00 0.64 C ATOM 1530 O ARG A 101 -11.738 7.716 -0.013 1.00 0.75 O ATOM 1531 CB ARG A 101 -13.101 7.934 -2.432 1.00 0.77 C ATOM 1532 CG ARG A 101 -13.504 8.058 -3.887 1.00 0.79 C ATOM 1533 CD ARG A 101 -14.645 9.030 -4.066 1.00 1.19 C ATOM 1534 NE ARG A 101 -14.287 10.378 -3.629 1.00 2.14 N ATOM 1535 CZ ARG A 101 -14.524 11.482 -4.336 1.00 3.08 C ATOM 1536 NH1 ARG A 101 -15.133 11.413 -5.514 1.00 3.37 N ATOM 1537 NH2 ARG A 101 -14.147 12.661 -3.865 1.00 4.09 N ATOM 0 H ARG A 101 -12.219 5.024 -3.328 1.00 0.59 H new ATOM 0 HA ARG A 101 -11.246 6.942 -2.799 1.00 0.65 H new ATOM 0 HB2 ARG A 101 -13.993 7.792 -1.821 1.00 0.77 H new ATOM 0 HB3 ARG A 101 -12.636 8.864 -2.106 1.00 0.77 H new ATOM 0 HG2 ARG A 101 -12.648 8.388 -4.475 1.00 0.79 H new ATOM 0 HG3 ARG A 101 -13.795 7.080 -4.269 1.00 0.79 H new ATOM 0 HD2 ARG A 101 -14.939 9.055 -5.115 1.00 1.19 H new ATOM 0 HD3 ARG A 101 -15.510 8.683 -3.500 1.00 1.19 H new ATOM 0 HE ARG A 101 -13.826 10.480 -2.725 1.00 2.14 H new ATOM 0 HH11 ARG A 101 -15.424 10.509 -5.885 1.00 3.37 H new ATOM 0 HH12 ARG A 101 -15.310 12.264 -6.047 1.00 3.37 H new ATOM 0 HH21 ARG A 101 -13.676 12.723 -2.962 1.00 4.09 H new ATOM 0 HH22 ARG A 101 -14.328 13.507 -4.405 1.00 4.09 H new ATOM 1551 N VAL A 102 -11.235 5.556 -0.336 1.00 0.55 N ATOM 1552 CA VAL A 102 -10.760 5.351 1.015 1.00 0.57 C ATOM 1553 C VAL A 102 -9.288 4.955 0.999 1.00 0.49 C ATOM 1554 O VAL A 102 -8.885 4.035 0.289 1.00 0.46 O ATOM 1555 CB VAL A 102 -11.605 4.287 1.750 1.00 0.69 C ATOM 1556 CG1 VAL A 102 -11.723 3.017 0.921 1.00 0.89 C ATOM 1557 CG2 VAL A 102 -11.027 3.984 3.126 1.00 1.42 C ATOM 0 H VAL A 102 -11.184 4.728 -0.930 1.00 0.55 H new ATOM 0 HA VAL A 102 -10.865 6.289 1.560 1.00 0.57 H new ATOM 0 HB VAL A 102 -12.607 4.694 1.888 1.00 0.69 H new ATOM 0 HG11 VAL A 102 -12.323 2.284 1.461 1.00 0.89 H new ATOM 0 HG12 VAL A 102 -12.202 3.247 -0.031 1.00 0.89 H new ATOM 0 HG13 VAL A 102 -10.729 2.608 0.738 1.00 0.89 H new ATOM 0 HG21 VAL A 102 -11.641 3.232 3.621 1.00 1.42 H new ATOM 0 HG22 VAL A 102 -10.010 3.608 3.019 1.00 1.42 H new ATOM 0 HG23 VAL A 102 -11.016 4.895 3.725 1.00 1.42 H new ATOM 1567 N ILE A 103 -8.486 5.681 1.758 1.00 0.54 N ATOM 1568 CA ILE A 103 -7.058 5.420 1.832 1.00 0.50 C ATOM 1569 C ILE A 103 -6.782 4.138 2.615 1.00 0.43 C ATOM 1570 O ILE A 103 -7.291 3.955 3.724 1.00 0.46 O ATOM 1571 CB ILE A 103 -6.315 6.604 2.489 1.00 0.61 C ATOM 1572 CG1 ILE A 103 -6.519 7.872 1.657 1.00 0.78 C ATOM 1573 CG2 ILE A 103 -4.828 6.300 2.644 1.00 0.62 C ATOM 1574 CD1 ILE A 103 -5.842 9.097 2.234 1.00 1.33 C ATOM 0 H ILE A 103 -8.801 6.461 2.335 1.00 0.54 H new ATOM 0 HA ILE A 103 -6.690 5.297 0.813 1.00 0.50 H new ATOM 0 HB ILE A 103 -6.729 6.762 3.485 1.00 0.61 H new ATOM 0 HG12 ILE A 103 -6.140 7.699 0.650 1.00 0.78 H new ATOM 0 HG13 ILE A 103 -7.587 8.068 1.566 1.00 0.78 H new ATOM 0 HG21 ILE A 103 -4.329 7.150 3.109 1.00 0.62 H new ATOM 0 HG22 ILE A 103 -4.700 5.417 3.271 1.00 0.62 H new ATOM 0 HG23 ILE A 103 -4.390 6.115 1.663 1.00 0.62 H new ATOM 0 HD11 ILE A 103 -6.032 9.955 1.589 1.00 1.33 H new ATOM 0 HD12 ILE A 103 -6.238 9.297 3.230 1.00 1.33 H new ATOM 0 HD13 ILE A 103 -4.768 8.922 2.299 1.00 1.33 H new ATOM 1586 N PRO A 104 -5.995 3.226 2.029 1.00 0.39 N ATOM 1587 CA PRO A 104 -5.595 1.983 2.691 1.00 0.37 C ATOM 1588 C PRO A 104 -4.666 2.255 3.867 1.00 0.37 C ATOM 1589 O PRO A 104 -3.835 3.160 3.808 1.00 0.45 O ATOM 1590 CB PRO A 104 -4.869 1.200 1.592 1.00 0.41 C ATOM 1591 CG PRO A 104 -4.433 2.223 0.599 1.00 0.53 C ATOM 1592 CD PRO A 104 -5.432 3.344 0.673 1.00 0.44 C ATOM 0 HA PRO A 104 -6.444 1.442 3.107 1.00 0.37 H new ATOM 0 HB2 PRO A 104 -4.015 0.656 1.996 1.00 0.41 H new ATOM 0 HB3 PRO A 104 -5.529 0.463 1.133 1.00 0.41 H new ATOM 0 HG2 PRO A 104 -3.430 2.582 0.827 1.00 0.53 H new ATOM 0 HG3 PRO A 104 -4.399 1.799 -0.405 1.00 0.53 H new ATOM 0 HD2 PRO A 104 -4.957 4.313 0.520 1.00 0.44 H new ATOM 0 HD3 PRO A 104 -6.203 3.243 -0.090 1.00 0.44 H new ATOM 1600 N SER A 105 -4.799 1.471 4.932 1.00 0.32 N ATOM 1601 CA SER A 105 -4.060 1.732 6.154 1.00 0.34 C ATOM 1602 C SER A 105 -3.812 0.430 6.901 1.00 0.34 C ATOM 1603 O SER A 105 -4.319 -0.619 6.488 1.00 0.33 O ATOM 1604 CB SER A 105 -4.832 2.716 7.039 1.00 0.43 C ATOM 1605 OG SER A 105 -5.190 3.883 6.315 1.00 1.42 O ATOM 0 H SER A 105 -5.409 0.655 4.970 1.00 0.32 H new ATOM 0 HA SER A 105 -3.099 2.177 5.897 1.00 0.34 H new ATOM 0 HB2 SER A 105 -5.730 2.234 7.426 1.00 0.43 H new ATOM 0 HB3 SER A 105 -4.222 2.991 7.900 1.00 0.43 H new ATOM 0 HG SER A 105 -5.683 4.494 6.902 1.00 1.42 H new ATOM 1611 N GLN A 106 -3.054 0.489 7.986 1.00 0.39 N ATOM 1612 CA GLN A 106 -2.738 -0.703 8.771 1.00 0.43 C ATOM 1613 C GLN A 106 -4.008 -1.394 9.259 1.00 0.45 C ATOM 1614 O GLN A 106 -4.107 -2.619 9.242 1.00 0.50 O ATOM 1615 CB GLN A 106 -1.867 -0.340 9.963 1.00 0.52 C ATOM 1616 CG GLN A 106 -0.555 0.322 9.589 1.00 0.68 C ATOM 1617 CD GLN A 106 0.170 0.875 10.798 1.00 0.96 C ATOM 1618 OE1 GLN A 106 0.993 0.198 11.416 1.00 1.66 O ATOM 1619 NE2 GLN A 106 -0.147 2.107 11.157 1.00 1.42 N ATOM 0 H GLN A 106 -2.644 1.350 8.346 1.00 0.39 H new ATOM 0 HA GLN A 106 -2.194 -1.390 8.123 1.00 0.43 H new ATOM 0 HB2 GLN A 106 -2.426 0.328 10.618 1.00 0.52 H new ATOM 0 HB3 GLN A 106 -1.656 -1.244 10.535 1.00 0.52 H new ATOM 0 HG2 GLN A 106 0.084 -0.402 9.083 1.00 0.68 H new ATOM 0 HG3 GLN A 106 -0.745 1.129 8.881 1.00 0.68 H new ATOM 0 HE21 GLN A 106 -0.834 2.634 10.618 1.00 1.42 H new ATOM 0 HE22 GLN A 106 0.295 2.530 11.973 1.00 1.42 H new ATOM 1628 N GLU A 107 -4.981 -0.597 9.676 1.00 0.46 N ATOM 1629 CA GLU A 107 -6.254 -1.120 10.162 1.00 0.51 C ATOM 1630 C GLU A 107 -6.935 -1.951 9.074 1.00 0.42 C ATOM 1631 O GLU A 107 -7.563 -2.971 9.349 1.00 0.49 O ATOM 1632 CB GLU A 107 -7.186 0.022 10.586 1.00 0.59 C ATOM 1633 CG GLU A 107 -6.510 1.138 11.373 1.00 1.41 C ATOM 1634 CD GLU A 107 -5.795 2.134 10.479 1.00 2.16 C ATOM 1635 OE1 GLU A 107 -6.450 3.071 9.989 1.00 2.63 O ATOM 1636 OE2 GLU A 107 -4.577 1.972 10.247 1.00 2.82 O ATOM 0 H GLU A 107 -4.914 0.421 9.688 1.00 0.46 H new ATOM 0 HA GLU A 107 -6.050 -1.750 11.028 1.00 0.51 H new ATOM 0 HB2 GLU A 107 -7.642 0.450 9.694 1.00 0.59 H new ATOM 0 HB3 GLU A 107 -7.994 -0.392 11.190 1.00 0.59 H new ATOM 0 HG2 GLU A 107 -7.258 1.662 11.968 1.00 1.41 H new ATOM 0 HG3 GLU A 107 -5.794 0.703 12.071 1.00 1.41 H new ATOM 1643 N HIS A 108 -6.763 -1.518 7.830 1.00 0.34 N ATOM 1644 CA HIS A 108 -7.391 -2.163 6.683 1.00 0.37 C ATOM 1645 C HIS A 108 -6.720 -3.483 6.350 1.00 0.46 C ATOM 1646 O HIS A 108 -7.357 -4.413 5.868 1.00 0.53 O ATOM 1647 CB HIS A 108 -7.327 -1.241 5.464 1.00 0.38 C ATOM 1648 CG HIS A 108 -8.288 -0.096 5.536 1.00 0.40 C ATOM 1649 ND1 HIS A 108 -7.895 1.224 5.494 1.00 0.52 N ATOM 1650 CD2 HIS A 108 -9.636 -0.080 5.636 1.00 0.52 C ATOM 1651 CE1 HIS A 108 -8.957 1.996 5.564 1.00 0.52 C ATOM 1652 NE2 HIS A 108 -10.031 1.233 5.653 1.00 0.52 N ATOM 0 H HIS A 108 -6.186 -0.712 7.589 1.00 0.34 H new ATOM 0 HA HIS A 108 -8.430 -2.362 6.944 1.00 0.37 H new ATOM 0 HB2 HIS A 108 -6.314 -0.850 5.365 1.00 0.38 H new ATOM 0 HB3 HIS A 108 -7.533 -1.823 4.566 1.00 0.38 H new ATOM 0 HD2 HIS A 108 -10.283 -0.943 5.692 1.00 0.52 H new ATOM 0 HE1 HIS A 108 -8.952 3.076 5.551 1.00 0.52 H new ATOM 0 HE2 HIS A 108 -10.993 1.565 5.723 1.00 0.52 H new ATOM 1661 N LEU A 109 -5.429 -3.556 6.611 1.00 0.52 N ATOM 1662 CA LEU A 109 -4.646 -4.721 6.242 1.00 0.70 C ATOM 1663 C LEU A 109 -4.672 -5.765 7.350 1.00 0.79 C ATOM 1664 O LEU A 109 -4.357 -6.935 7.126 1.00 1.24 O ATOM 1665 CB LEU A 109 -3.227 -4.274 5.883 1.00 0.96 C ATOM 1666 CG LEU A 109 -2.431 -3.678 7.022 1.00 0.44 C ATOM 1667 CD1 LEU A 109 -1.850 -4.797 7.831 1.00 0.84 C ATOM 1668 CD2 LEU A 109 -1.336 -2.772 6.517 1.00 0.67 C ATOM 0 H LEU A 109 -4.899 -2.821 7.078 1.00 0.52 H new ATOM 0 HA LEU A 109 -5.081 -5.201 5.365 1.00 0.70 H new ATOM 0 HB2 LEU A 109 -2.682 -5.132 5.490 1.00 0.96 H new ATOM 0 HB3 LEU A 109 -3.287 -3.540 5.080 1.00 0.96 H new ATOM 0 HG LEU A 109 -3.092 -3.070 7.639 1.00 0.44 H new ATOM 0 HD11 LEU A 109 -1.272 -4.386 8.658 1.00 0.84 H new ATOM 0 HD12 LEU A 109 -2.655 -5.418 8.224 1.00 0.84 H new ATOM 0 HD13 LEU A 109 -1.200 -5.403 7.200 1.00 0.84 H new ATOM 0 HD21 LEU A 109 -0.785 -2.361 7.363 1.00 0.67 H new ATOM 0 HD22 LEU A 109 -0.657 -3.341 5.883 1.00 0.67 H new ATOM 0 HD23 LEU A 109 -1.775 -1.958 5.940 1.00 0.67 H new ATOM 1680 N ASN A 110 -5.073 -5.343 8.540 1.00 1.37 N ATOM 1681 CA ASN A 110 -5.153 -6.248 9.679 1.00 1.67 C ATOM 1682 C ASN A 110 -6.434 -7.069 9.642 1.00 1.44 C ATOM 1683 O ASN A 110 -6.605 -7.991 10.437 1.00 1.77 O ATOM 1684 CB ASN A 110 -5.051 -5.480 11.000 1.00 2.17 C ATOM 1685 CG ASN A 110 -3.620 -5.372 11.496 1.00 2.95 C ATOM 1686 OD1 ASN A 110 -3.149 -6.222 12.253 1.00 3.70 O ATOM 1687 ND2 ASN A 110 -2.917 -4.332 11.079 1.00 3.35 N ATOM 0 H ASN A 110 -5.348 -4.382 8.743 1.00 1.37 H new ATOM 0 HA ASN A 110 -4.308 -6.933 9.613 1.00 1.67 H new ATOM 0 HB2 ASN A 110 -5.464 -4.480 10.869 1.00 2.17 H new ATOM 0 HB3 ASN A 110 -5.658 -5.979 11.755 1.00 2.17 H new ATOM 0 HD21 ASN A 110 -1.951 -4.214 11.384 1.00 3.35 H new ATOM 0 HD22 ASN A 110 -3.341 -3.648 10.452 1.00 3.35 H new ATOM 1694 N GLY A 111 -7.332 -6.738 8.722 1.00 1.12 N ATOM 1695 CA GLY A 111 -8.552 -7.505 8.592 1.00 1.12 C ATOM 1696 C GLY A 111 -9.671 -6.757 7.897 1.00 0.87 C ATOM 1697 O GLY A 111 -9.974 -7.036 6.738 1.00 0.93 O ATOM 0 H GLY A 111 -7.237 -5.959 8.070 1.00 1.12 H new ATOM 0 HA2 GLY A 111 -8.339 -8.419 8.037 1.00 1.12 H new ATOM 0 HA3 GLY A 111 -8.889 -7.805 9.584 1.00 1.12 H new ATOM 1701 N PRO A 112 -10.302 -5.793 8.585 1.00 0.86 N ATOM 1702 CA PRO A 112 -11.522 -5.131 8.111 1.00 0.93 C ATOM 1703 C PRO A 112 -11.302 -4.189 6.929 1.00 0.89 C ATOM 1704 O PRO A 112 -10.598 -3.178 7.030 1.00 1.31 O ATOM 1705 CB PRO A 112 -12.006 -4.341 9.339 1.00 1.25 C ATOM 1706 CG PRO A 112 -11.195 -4.853 10.483 1.00 1.30 C ATOM 1707 CD PRO A 112 -9.889 -5.267 9.892 1.00 1.10 C ATOM 0 HA PRO A 112 -12.236 -5.864 7.736 1.00 0.93 H new ATOM 0 HB2 PRO A 112 -11.858 -3.270 9.201 1.00 1.25 H new ATOM 0 HB3 PRO A 112 -13.071 -4.496 9.512 1.00 1.25 H new ATOM 0 HG2 PRO A 112 -11.056 -4.083 11.241 1.00 1.30 H new ATOM 0 HG3 PRO A 112 -11.690 -5.694 10.970 1.00 1.30 H new ATOM 0 HD2 PRO A 112 -9.200 -4.428 9.796 1.00 1.10 H new ATOM 0 HD3 PRO A 112 -9.388 -6.023 10.497 1.00 1.10 H new ATOM 1715 N LEU A 113 -11.911 -4.538 5.805 1.00 0.62 N ATOM 1716 CA LEU A 113 -11.948 -3.661 4.650 1.00 0.58 C ATOM 1717 C LEU A 113 -13.142 -2.717 4.759 1.00 0.69 C ATOM 1718 O LEU A 113 -14.148 -3.045 5.397 1.00 0.90 O ATOM 1719 CB LEU A 113 -12.039 -4.473 3.355 1.00 0.58 C ATOM 1720 CG LEU A 113 -10.837 -5.375 3.057 1.00 0.57 C ATOM 1721 CD1 LEU A 113 -10.963 -5.980 1.672 1.00 1.11 C ATOM 1722 CD2 LEU A 113 -9.534 -4.601 3.184 1.00 1.05 C ATOM 0 H LEU A 113 -12.389 -5.429 5.671 1.00 0.62 H new ATOM 0 HA LEU A 113 -11.027 -3.079 4.625 1.00 0.58 H new ATOM 0 HB2 LEU A 113 -12.935 -5.093 3.397 1.00 0.58 H new ATOM 0 HB3 LEU A 113 -12.168 -3.782 2.522 1.00 0.58 H new ATOM 0 HG LEU A 113 -10.824 -6.181 3.790 1.00 0.57 H new ATOM 0 HD11 LEU A 113 -10.102 -6.618 1.474 1.00 1.11 H new ATOM 0 HD12 LEU A 113 -11.875 -6.574 1.616 1.00 1.11 H new ATOM 0 HD13 LEU A 113 -11.002 -5.183 0.929 1.00 1.11 H new ATOM 0 HD21 LEU A 113 -8.695 -5.263 2.968 1.00 1.05 H new ATOM 0 HD22 LEU A 113 -9.533 -3.771 2.477 1.00 1.05 H new ATOM 0 HD23 LEU A 113 -9.438 -4.214 4.198 1.00 1.05 H new