USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 698 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 44 GLN : amide:sc= 0.579 K(o=-0.41,f=-1.5) USER MOD Set 1.2: B 64 HIS : no HE2:sc= -0.992 K(o=-0.41,f=-2) USER MOD Set 2.1: A 64 HIS : no HE2:sc= -1.04 K(o=-0.42,f=-1.8) USER MOD Set 2.2: B 44 GLN : amide:sc= 0.621 K(o=-0.42,f=-1.6) USER MOD Set 3.1: B 43 MET CE :methyl 146:sc= -2.47 (180deg=-2.68!) USER MOD Set 3.2: B 46 MET CE :methyl -123:sc= -2.02 (180deg=-2.47!) USER MOD Set 4.1: A 43 MET CE :methyl 145:sc= -2.42 (180deg=-2.58!) USER MOD Set 4.2: A 46 MET CE :methyl -120:sc= -2.08! (180deg=-2.71!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00268 USER MOD Single : A 41 TYR OH : rot -28:sc= 1.18 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 49 LYS NZ :NH3+ 175:sc= 1.22 (180deg=1.2) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -176:sc= -6.32! (180deg=-6.55!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -24:sc= 0.0762 USER MOD Single : A 57 ASN : amide:sc= -0.138 K(o=-0.14,f=-3!) USER MOD Single : A 59 SER OG : rot 180:sc= 0.00217 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 161:sc= -0.101 (180deg=-0.514) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0.00122 USER MOD Single : B 41 TYR OH : rot -30:sc= 1.17 USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : B 49 LYS NZ :NH3+ -167:sc= 1.19 (180deg=1.13) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 MET CE :methyl 179:sc= -6.31! (180deg=-6.32!) USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 54 SER OG : rot -35:sc= 0.0519 USER MOD Single : B 57 ASN : amide:sc= -0.19 K(o=-0.19,f=-3!) USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 63 THR OG1 : rot 180:sc= 0 USER MOD Single : B 74 SER OG : rot 180:sc= 0 USER MOD Single : B 78 LYS NZ :NH3+ 160:sc= -0.11 (180deg=-0.489) USER MOD ----------------------------------------------------------------- ATOM 130 N THR A 38 12.183 -5.989 -4.687 1.00 0.97 N ATOM 131 CA THR A 38 13.613 -5.813 -4.849 1.00 0.83 C ATOM 132 C THR A 38 14.098 -4.667 -3.969 1.00 0.72 C ATOM 133 O THR A 38 13.276 -3.919 -3.439 1.00 0.65 O ATOM 134 CB THR A 38 13.959 -5.515 -6.321 1.00 0.79 C ATOM 135 OG1 THR A 38 13.164 -4.415 -6.793 1.00 0.85 O ATOM 136 CG2 THR A 38 13.716 -6.736 -7.195 1.00 0.95 C ATOM 0 HA THR A 38 14.110 -6.736 -4.551 1.00 0.83 H new ATOM 0 HB THR A 38 15.016 -5.255 -6.380 1.00 0.79 H new ATOM 0 HG1 THR A 38 13.388 -4.228 -7.729 1.00 0.85 H new ATOM 0 HG21 THR A 38 13.968 -6.499 -8.229 1.00 0.95 H new ATOM 0 HG22 THR A 38 14.339 -7.561 -6.849 1.00 0.95 H new ATOM 0 HG23 THR A 38 12.667 -7.024 -7.134 1.00 0.95 H new ATOM 144 N PRO A 39 15.415 -4.516 -3.759 1.00 0.74 N ATOM 145 CA PRO A 39 15.944 -3.375 -3.013 1.00 0.70 C ATOM 146 C PRO A 39 15.433 -2.055 -3.576 1.00 0.62 C ATOM 147 O PRO A 39 15.039 -1.168 -2.828 1.00 0.56 O ATOM 148 CB PRO A 39 17.453 -3.495 -3.186 1.00 0.78 C ATOM 149 CG PRO A 39 17.686 -4.949 -3.422 1.00 0.87 C ATOM 150 CD PRO A 39 16.483 -5.442 -4.181 1.00 0.83 C ATOM 0 HA PRO A 39 15.635 -3.383 -1.968 1.00 0.70 H new ATOM 0 HB2 PRO A 39 17.806 -2.895 -4.025 1.00 0.78 H new ATOM 0 HB3 PRO A 39 17.983 -3.146 -2.300 1.00 0.78 H new ATOM 0 HG2 PRO A 39 18.601 -5.110 -3.992 1.00 0.87 H new ATOM 0 HG3 PRO A 39 17.799 -5.484 -2.479 1.00 0.87 H new ATOM 0 HD2 PRO A 39 16.644 -5.406 -5.258 1.00 0.83 H new ATOM 0 HD3 PRO A 39 16.243 -6.475 -3.929 1.00 0.83 H new ATOM 158 N ASP A 40 15.404 -1.947 -4.898 1.00 0.66 N ATOM 159 CA ASP A 40 14.859 -0.763 -5.557 1.00 0.64 C ATOM 160 C ASP A 40 13.410 -0.541 -5.142 1.00 0.58 C ATOM 161 O ASP A 40 12.989 0.586 -4.880 1.00 0.58 O ATOM 162 CB ASP A 40 14.948 -0.904 -7.076 1.00 0.72 C ATOM 163 CG ASP A 40 16.361 -0.740 -7.595 1.00 1.44 C ATOM 164 OD1 ASP A 40 16.649 0.297 -8.231 1.00 2.22 O ATOM 165 OD2 ASP A 40 17.193 -1.645 -7.368 1.00 2.15 O ATOM 0 H ASP A 40 15.751 -2.663 -5.536 1.00 0.66 H new ATOM 0 HA ASP A 40 15.451 0.099 -5.249 1.00 0.64 H new ATOM 0 HB2 ASP A 40 14.569 -1.883 -7.369 1.00 0.72 H new ATOM 0 HB3 ASP A 40 14.304 -0.160 -7.544 1.00 0.72 H new ATOM 170 N TYR A 41 12.661 -1.633 -5.066 1.00 0.57 N ATOM 171 CA TYR A 41 11.272 -1.598 -4.621 1.00 0.54 C ATOM 172 C TYR A 41 11.193 -1.087 -3.180 1.00 0.46 C ATOM 173 O TYR A 41 10.253 -0.383 -2.808 1.00 0.43 O ATOM 174 CB TYR A 41 10.670 -3.008 -4.723 1.00 0.61 C ATOM 175 CG TYR A 41 9.166 -3.087 -4.550 1.00 0.63 C ATOM 176 CD1 TYR A 41 8.585 -3.176 -3.289 1.00 0.64 C ATOM 177 CD2 TYR A 41 8.328 -3.097 -5.657 1.00 0.83 C ATOM 178 CE1 TYR A 41 7.211 -3.273 -3.140 1.00 0.69 C ATOM 179 CE2 TYR A 41 6.959 -3.188 -5.517 1.00 0.88 C ATOM 180 CZ TYR A 41 6.405 -3.279 -4.258 1.00 0.73 C ATOM 181 OH TYR A 41 5.040 -3.375 -4.122 1.00 0.81 O ATOM 0 H TYR A 41 12.996 -2.565 -5.310 1.00 0.57 H new ATOM 0 HA TYR A 41 10.704 -0.919 -5.257 1.00 0.54 H new ATOM 0 HB2 TYR A 41 10.929 -3.426 -5.696 1.00 0.61 H new ATOM 0 HB3 TYR A 41 11.139 -3.640 -3.969 1.00 0.61 H new ATOM 0 HD1 TYR A 41 9.215 -3.169 -2.412 1.00 0.64 H new ATOM 0 HD2 TYR A 41 8.756 -3.032 -6.646 1.00 0.83 H new ATOM 0 HE1 TYR A 41 6.775 -3.343 -2.155 1.00 0.69 H new ATOM 0 HE2 TYR A 41 6.324 -3.188 -6.390 1.00 0.88 H new ATOM 0 HH TYR A 41 4.827 -3.858 -3.297 1.00 0.81 H new ATOM 191 N LEU A 42 12.210 -1.416 -2.390 1.00 0.44 N ATOM 192 CA LEU A 42 12.237 -1.063 -0.976 1.00 0.39 C ATOM 193 C LEU A 42 12.749 0.359 -0.765 1.00 0.37 C ATOM 194 O LEU A 42 12.251 1.082 0.092 1.00 0.34 O ATOM 195 CB LEU A 42 13.115 -2.047 -0.195 1.00 0.43 C ATOM 196 CG LEU A 42 13.259 -1.753 1.302 1.00 0.41 C ATOM 197 CD1 LEU A 42 11.904 -1.761 1.985 1.00 0.37 C ATOM 198 CD2 LEU A 42 14.193 -2.758 1.959 1.00 0.48 C ATOM 0 H LEU A 42 13.031 -1.930 -2.709 1.00 0.44 H new ATOM 0 HA LEU A 42 11.213 -1.118 -0.605 1.00 0.39 H new ATOM 0 HB2 LEU A 42 12.702 -3.049 -0.313 1.00 0.43 H new ATOM 0 HB3 LEU A 42 14.108 -2.056 -0.643 1.00 0.43 H new ATOM 0 HG LEU A 42 13.691 -0.758 1.412 1.00 0.41 H new ATOM 0 HD11 LEU A 42 12.031 -1.550 3.047 1.00 0.37 H new ATOM 0 HD12 LEU A 42 11.266 -0.999 1.537 1.00 0.37 H new ATOM 0 HD13 LEU A 42 11.440 -2.740 1.862 1.00 0.37 H new ATOM 0 HD21 LEU A 42 14.282 -2.532 3.022 1.00 0.48 H new ATOM 0 HD22 LEU A 42 13.791 -3.764 1.834 1.00 0.48 H new ATOM 0 HD23 LEU A 42 15.176 -2.700 1.492 1.00 0.48 H new ATOM 210 N MET A 43 13.725 0.771 -1.567 1.00 0.40 N ATOM 211 CA MET A 43 14.352 2.075 -1.394 1.00 0.40 C ATOM 212 C MET A 43 13.367 3.165 -1.762 1.00 0.37 C ATOM 213 O MET A 43 13.354 4.244 -1.166 1.00 0.36 O ATOM 214 CB MET A 43 15.620 2.200 -2.245 1.00 0.47 C ATOM 215 CG MET A 43 16.917 1.927 -1.514 1.00 0.63 C ATOM 216 SD MET A 43 17.348 0.173 -1.402 1.00 0.85 S ATOM 217 CE MET A 43 16.328 -0.395 -0.043 1.00 0.55 C ATOM 0 H MET A 43 14.098 0.222 -2.341 1.00 0.40 H new ATOM 0 HA MET A 43 14.641 2.182 -0.348 1.00 0.40 H new ATOM 0 HB2 MET A 43 15.543 1.510 -3.086 1.00 0.47 H new ATOM 0 HB3 MET A 43 15.661 3.207 -2.661 1.00 0.47 H new ATOM 0 HG2 MET A 43 17.725 2.457 -2.019 1.00 0.63 H new ATOM 0 HG3 MET A 43 16.847 2.338 -0.507 1.00 0.63 H new ATOM 0 HE1 MET A 43 16.001 -1.417 -0.236 1.00 0.55 H new ATOM 0 HE2 MET A 43 16.905 -0.366 0.881 1.00 0.55 H new ATOM 0 HE3 MET A 43 15.456 0.252 0.053 1.00 0.55 H new ATOM 227 N GLN A 44 12.531 2.861 -2.738 1.00 0.36 N ATOM 228 CA GLN A 44 11.459 3.763 -3.132 1.00 0.35 C ATOM 229 C GLN A 44 10.428 3.851 -2.015 1.00 0.30 C ATOM 230 O GLN A 44 9.946 4.930 -1.684 1.00 0.30 O ATOM 231 CB GLN A 44 10.798 3.279 -4.422 1.00 0.42 C ATOM 232 CG GLN A 44 11.698 3.377 -5.640 1.00 0.52 C ATOM 233 CD GLN A 44 11.094 2.719 -6.864 1.00 0.64 C ATOM 234 OE1 GLN A 44 10.364 3.347 -7.625 1.00 0.91 O ATOM 235 NE2 GLN A 44 11.393 1.445 -7.055 1.00 0.75 N ATOM 0 H GLN A 44 12.572 1.995 -3.275 1.00 0.36 H new ATOM 0 HA GLN A 44 11.879 4.752 -3.312 1.00 0.35 H new ATOM 0 HB2 GLN A 44 10.486 2.243 -4.294 1.00 0.42 H new ATOM 0 HB3 GLN A 44 9.896 3.864 -4.600 1.00 0.42 H new ATOM 0 HG2 GLN A 44 11.897 4.427 -5.857 1.00 0.52 H new ATOM 0 HG3 GLN A 44 12.657 2.910 -5.417 1.00 0.52 H new ATOM 0 HE21 GLN A 44 12.004 0.960 -6.398 1.00 0.75 H new ATOM 0 HE22 GLN A 44 11.013 0.947 -7.860 1.00 0.75 H new ATOM 244 N LEU A 45 10.122 2.703 -1.421 1.00 0.27 N ATOM 245 CA LEU A 45 9.168 2.632 -0.323 1.00 0.25 C ATOM 246 C LEU A 45 9.639 3.428 0.886 1.00 0.23 C ATOM 247 O LEU A 45 8.840 4.087 1.552 1.00 0.23 O ATOM 248 CB LEU A 45 8.945 1.181 0.095 1.00 0.29 C ATOM 249 CG LEU A 45 7.900 0.412 -0.707 1.00 0.32 C ATOM 250 CD1 LEU A 45 7.829 -1.031 -0.234 1.00 0.38 C ATOM 251 CD2 LEU A 45 6.545 1.079 -0.560 1.00 0.31 C ATOM 0 H LEU A 45 10.525 1.804 -1.685 1.00 0.27 H new ATOM 0 HA LEU A 45 8.234 3.064 -0.682 1.00 0.25 H new ATOM 0 HB2 LEU A 45 9.895 0.651 0.021 1.00 0.29 H new ATOM 0 HB3 LEU A 45 8.653 1.166 1.145 1.00 0.29 H new ATOM 0 HG LEU A 45 8.187 0.418 -1.759 1.00 0.32 H new ATOM 0 HD11 LEU A 45 7.079 -1.568 -0.815 1.00 0.38 H new ATOM 0 HD12 LEU A 45 8.801 -1.506 -0.368 1.00 0.38 H new ATOM 0 HD13 LEU A 45 7.556 -1.055 0.821 1.00 0.38 H new ATOM 0 HD21 LEU A 45 5.803 0.525 -1.135 1.00 0.31 H new ATOM 0 HD22 LEU A 45 6.256 1.089 0.491 1.00 0.31 H new ATOM 0 HD23 LEU A 45 6.601 2.103 -0.930 1.00 0.31 H new ATOM 263 N MET A 46 10.935 3.379 1.157 1.00 0.26 N ATOM 264 CA MET A 46 11.478 4.021 2.343 1.00 0.28 C ATOM 265 C MET A 46 11.319 5.526 2.250 1.00 0.27 C ATOM 266 O MET A 46 11.081 6.193 3.254 1.00 0.41 O ATOM 267 CB MET A 46 12.949 3.669 2.550 1.00 0.33 C ATOM 268 CG MET A 46 13.192 2.200 2.839 1.00 0.39 C ATOM 269 SD MET A 46 14.857 1.883 3.452 1.00 0.49 S ATOM 270 CE MET A 46 15.846 2.653 2.173 1.00 0.49 C ATOM 0 H MET A 46 11.626 2.904 0.575 1.00 0.26 H new ATOM 0 HA MET A 46 10.917 3.650 3.201 1.00 0.28 H new ATOM 0 HB2 MET A 46 13.510 3.952 1.659 1.00 0.33 H new ATOM 0 HB3 MET A 46 13.342 4.262 3.376 1.00 0.33 H new ATOM 0 HG2 MET A 46 12.466 1.853 3.574 1.00 0.39 H new ATOM 0 HG3 MET A 46 13.027 1.622 1.930 1.00 0.39 H new ATOM 0 HE1 MET A 46 16.494 1.906 1.715 1.00 0.49 H new ATOM 0 HE2 MET A 46 15.191 3.080 1.414 1.00 0.49 H new ATOM 0 HE3 MET A 46 16.456 3.443 2.611 1.00 0.49 H new ATOM 280 N ASN A 47 11.422 6.053 1.040 1.00 0.24 N ATOM 281 CA ASN A 47 11.302 7.484 0.821 1.00 0.30 C ATOM 282 C ASN A 47 9.835 7.893 0.750 1.00 0.26 C ATOM 283 O ASN A 47 9.466 8.995 1.156 1.00 0.27 O ATOM 284 CB ASN A 47 12.035 7.873 -0.465 1.00 0.42 C ATOM 285 CG ASN A 47 11.920 9.349 -0.792 1.00 0.80 C ATOM 286 OD1 ASN A 47 11.045 9.763 -1.550 1.00 1.61 O ATOM 287 ND2 ASN A 47 12.811 10.150 -0.233 1.00 1.42 N ATOM 0 H ASN A 47 11.589 5.509 0.193 1.00 0.24 H new ATOM 0 HA ASN A 47 11.758 8.011 1.659 1.00 0.30 H new ATOM 0 HB2 ASN A 47 13.088 7.609 -0.370 1.00 0.42 H new ATOM 0 HB3 ASN A 47 11.634 7.291 -1.295 1.00 0.42 H new ATOM 0 HD21 ASN A 47 12.788 11.151 -0.425 1.00 1.42 H new ATOM 0 HD22 ASN A 47 13.521 9.767 0.391 1.00 1.42 H new ATOM 294 N ASP A 48 8.992 6.978 0.282 1.00 0.24 N ATOM 295 CA ASP A 48 7.560 7.242 0.155 1.00 0.24 C ATOM 296 C ASP A 48 6.908 7.295 1.530 1.00 0.25 C ATOM 297 O ASP A 48 6.058 8.146 1.801 1.00 0.30 O ATOM 298 CB ASP A 48 6.885 6.164 -0.693 1.00 0.25 C ATOM 299 CG ASP A 48 7.005 6.410 -2.184 1.00 0.29 C ATOM 300 OD1 ASP A 48 7.810 7.270 -2.598 1.00 0.93 O ATOM 301 OD2 ASP A 48 6.284 5.743 -2.953 1.00 0.74 O ATOM 0 H ASP A 48 9.275 6.045 -0.017 1.00 0.24 H new ATOM 0 HA ASP A 48 7.435 8.206 -0.338 1.00 0.24 H new ATOM 0 HB2 ASP A 48 7.326 5.196 -0.455 1.00 0.25 H new ATOM 0 HB3 ASP A 48 5.830 6.109 -0.425 1.00 0.25 H new ATOM 306 N LYS A 49 7.325 6.380 2.399 1.00 0.22 N ATOM 307 CA LYS A 49 6.854 6.356 3.775 1.00 0.27 C ATOM 308 C LYS A 49 7.279 7.635 4.490 1.00 0.32 C ATOM 309 O LYS A 49 6.575 8.136 5.367 1.00 0.44 O ATOM 310 CB LYS A 49 7.407 5.126 4.511 1.00 0.31 C ATOM 311 CG LYS A 49 6.454 4.560 5.559 1.00 0.59 C ATOM 312 CD LYS A 49 6.326 5.474 6.765 1.00 0.92 C ATOM 313 CE LYS A 49 5.017 5.250 7.501 1.00 1.45 C ATOM 314 NZ LYS A 49 4.884 3.865 8.017 1.00 2.10 N ATOM 0 H LYS A 49 7.992 5.643 2.171 1.00 0.22 H new ATOM 0 HA LYS A 49 5.766 6.295 3.773 1.00 0.27 H new ATOM 0 HB2 LYS A 49 7.634 4.349 3.782 1.00 0.31 H new ATOM 0 HB3 LYS A 49 8.347 5.394 4.994 1.00 0.31 H new ATOM 0 HG2 LYS A 49 5.471 4.410 5.112 1.00 0.59 H new ATOM 0 HG3 LYS A 49 6.810 3.582 5.882 1.00 0.59 H new ATOM 0 HD2 LYS A 49 7.160 5.300 7.444 1.00 0.92 H new ATOM 0 HD3 LYS A 49 6.389 6.513 6.443 1.00 0.92 H new ATOM 0 HE2 LYS A 49 4.947 5.952 8.332 1.00 1.45 H new ATOM 0 HE3 LYS A 49 4.185 5.466 6.830 1.00 1.45 H new ATOM 0 HZ1 LYS A 49 4.015 3.787 8.583 1.00 2.10 H new ATOM 0 HZ2 LYS A 49 4.838 3.200 7.219 1.00 2.10 H new ATOM 0 HZ3 LYS A 49 5.706 3.636 8.612 1.00 2.10 H new ATOM 328 N LYS A 50 8.406 8.195 4.074 1.00 0.30 N ATOM 329 CA LYS A 50 8.923 9.396 4.707 1.00 0.37 C ATOM 330 C LYS A 50 8.219 10.619 4.146 1.00 0.39 C ATOM 331 O LYS A 50 7.944 11.569 4.874 1.00 0.43 O ATOM 332 CB LYS A 50 10.438 9.513 4.523 1.00 0.42 C ATOM 333 CG LYS A 50 11.231 8.499 5.333 1.00 1.14 C ATOM 334 CD LYS A 50 10.973 8.649 6.825 1.00 1.67 C ATOM 335 CE LYS A 50 11.772 7.642 7.634 1.00 2.35 C ATOM 336 NZ LYS A 50 11.507 7.770 9.091 1.00 3.05 N ATOM 0 H LYS A 50 8.975 7.839 3.306 1.00 0.30 H new ATOM 0 HA LYS A 50 8.726 9.332 5.777 1.00 0.37 H new ATOM 0 HB2 LYS A 50 10.678 9.389 3.467 1.00 0.42 H new ATOM 0 HB3 LYS A 50 10.753 10.517 4.806 1.00 0.42 H new ATOM 0 HG2 LYS A 50 10.964 7.491 5.017 1.00 1.14 H new ATOM 0 HG3 LYS A 50 12.295 8.625 5.133 1.00 1.14 H new ATOM 0 HD2 LYS A 50 11.234 9.659 7.140 1.00 1.67 H new ATOM 0 HD3 LYS A 50 9.910 8.517 7.026 1.00 1.67 H new ATOM 0 HE2 LYS A 50 11.523 6.633 7.306 1.00 2.35 H new ATOM 0 HE3 LYS A 50 12.836 7.785 7.444 1.00 2.35 H new ATOM 0 HZ1 LYS A 50 12.070 7.066 9.609 1.00 3.05 H new ATOM 0 HZ2 LYS A 50 11.769 8.725 9.409 1.00 3.05 H new ATOM 0 HZ3 LYS A 50 10.496 7.608 9.276 1.00 3.05 H new ATOM 350 N LEU A 51 7.932 10.591 2.849 1.00 0.38 N ATOM 351 CA LEU A 51 7.131 11.628 2.216 1.00 0.44 C ATOM 352 C LEU A 51 5.756 11.733 2.863 1.00 0.42 C ATOM 353 O LEU A 51 5.288 12.834 3.144 1.00 0.47 O ATOM 354 CB LEU A 51 7.000 11.363 0.716 1.00 0.48 C ATOM 355 CG LEU A 51 8.195 11.820 -0.123 1.00 0.70 C ATOM 356 CD1 LEU A 51 8.169 11.171 -1.494 1.00 1.10 C ATOM 357 CD2 LEU A 51 8.190 13.336 -0.260 1.00 1.22 C ATOM 0 H LEU A 51 8.245 9.857 2.214 1.00 0.38 H new ATOM 0 HA LEU A 51 7.642 12.581 2.358 1.00 0.44 H new ATOM 0 HB2 LEU A 51 6.853 10.294 0.562 1.00 0.48 H new ATOM 0 HB3 LEU A 51 6.104 11.864 0.350 1.00 0.48 H new ATOM 0 HG LEU A 51 9.109 11.513 0.385 1.00 0.70 H new ATOM 0 HD11 LEU A 51 9.028 11.510 -2.073 1.00 1.10 H new ATOM 0 HD12 LEU A 51 8.210 10.087 -1.384 1.00 1.10 H new ATOM 0 HD13 LEU A 51 7.250 11.449 -2.011 1.00 1.10 H new ATOM 0 HD21 LEU A 51 9.045 13.650 -0.859 1.00 1.22 H new ATOM 0 HD22 LEU A 51 7.269 13.654 -0.748 1.00 1.22 H new ATOM 0 HD23 LEU A 51 8.253 13.791 0.729 1.00 1.22 H new ATOM 369 N MET A 52 5.115 10.597 3.132 1.00 0.39 N ATOM 370 CA MET A 52 3.822 10.604 3.804 1.00 0.37 C ATOM 371 C MET A 52 3.960 11.088 5.243 1.00 0.41 C ATOM 372 O MET A 52 3.062 11.725 5.786 1.00 0.47 O ATOM 373 CB MET A 52 3.185 9.214 3.773 1.00 0.33 C ATOM 374 CG MET A 52 2.623 8.832 2.422 1.00 1.29 C ATOM 375 SD MET A 52 1.727 7.274 2.464 1.00 1.25 S ATOM 376 CE MET A 52 3.048 6.145 2.874 1.00 0.31 C ATOM 0 H MET A 52 5.468 9.669 2.897 1.00 0.39 H new ATOM 0 HA MET A 52 3.171 11.295 3.268 1.00 0.37 H new ATOM 0 HB2 MET A 52 3.931 8.476 4.068 1.00 0.33 H new ATOM 0 HB3 MET A 52 2.386 9.174 4.513 1.00 0.33 H new ATOM 0 HG2 MET A 52 1.957 9.621 2.073 1.00 1.29 H new ATOM 0 HG3 MET A 52 3.437 8.760 1.701 1.00 1.29 H new ATOM 0 HE1 MET A 52 2.668 5.123 2.868 1.00 0.31 H new ATOM 0 HE2 MET A 52 3.848 6.239 2.140 1.00 0.31 H new ATOM 0 HE3 MET A 52 3.435 6.382 3.865 1.00 0.31 H new ATOM 386 N SER A 53 5.106 10.807 5.846 1.00 0.40 N ATOM 387 CA SER A 53 5.368 11.224 7.216 1.00 0.47 C ATOM 388 C SER A 53 5.737 12.709 7.255 1.00 0.50 C ATOM 389 O SER A 53 5.688 13.350 8.306 1.00 0.62 O ATOM 390 CB SER A 53 6.494 10.375 7.814 1.00 0.52 C ATOM 391 OG SER A 53 6.622 10.587 9.211 1.00 1.15 O ATOM 0 H SER A 53 5.870 10.292 5.408 1.00 0.40 H new ATOM 0 HA SER A 53 4.466 11.077 7.811 1.00 0.47 H new ATOM 0 HB2 SER A 53 6.297 9.320 7.622 1.00 0.52 H new ATOM 0 HB3 SER A 53 7.435 10.618 7.321 1.00 0.52 H new ATOM 0 HG SER A 53 7.348 10.029 9.561 1.00 1.15 H new ATOM 397 N SER A 54 6.096 13.247 6.097 1.00 0.49 N ATOM 398 CA SER A 54 6.462 14.651 5.976 1.00 0.53 C ATOM 399 C SER A 54 5.208 15.503 5.791 1.00 0.53 C ATOM 400 O SER A 54 5.256 16.732 5.857 1.00 0.53 O ATOM 401 CB SER A 54 7.421 14.834 4.792 1.00 0.60 C ATOM 402 OG SER A 54 7.968 16.142 4.757 1.00 1.30 O ATOM 0 H SER A 54 6.141 12.726 5.221 1.00 0.49 H new ATOM 0 HA SER A 54 6.966 14.974 6.887 1.00 0.53 H new ATOM 0 HB2 SER A 54 8.228 14.104 4.861 1.00 0.60 H new ATOM 0 HB3 SER A 54 6.891 14.636 3.860 1.00 0.60 H new ATOM 0 HG SER A 54 7.365 16.761 5.219 1.00 1.30 H new ATOM 408 N LEU A 55 4.085 14.835 5.580 1.00 0.54 N ATOM 409 CA LEU A 55 2.816 15.514 5.388 1.00 0.57 C ATOM 410 C LEU A 55 2.039 15.523 6.701 1.00 0.65 C ATOM 411 O LEU A 55 1.683 14.470 7.228 1.00 0.65 O ATOM 412 CB LEU A 55 2.013 14.830 4.277 1.00 0.51 C ATOM 413 CG LEU A 55 2.720 14.763 2.917 1.00 0.53 C ATOM 414 CD1 LEU A 55 1.886 13.984 1.913 1.00 0.56 C ATOM 415 CD2 LEU A 55 3.014 16.161 2.392 1.00 0.64 C ATOM 0 H LEU A 55 4.028 13.817 5.537 1.00 0.54 H new ATOM 0 HA LEU A 55 2.997 16.545 5.084 1.00 0.57 H new ATOM 0 HB2 LEU A 55 1.771 13.816 4.595 1.00 0.51 H new ATOM 0 HB3 LEU A 55 1.068 15.359 4.153 1.00 0.51 H new ATOM 0 HG LEU A 55 3.667 14.241 3.055 1.00 0.53 H new ATOM 0 HD11 LEU A 55 2.407 13.950 0.956 1.00 0.56 H new ATOM 0 HD12 LEU A 55 1.731 12.969 2.279 1.00 0.56 H new ATOM 0 HD13 LEU A 55 0.921 14.474 1.783 1.00 0.56 H new ATOM 0 HD21 LEU A 55 3.515 16.089 1.427 1.00 0.64 H new ATOM 0 HD22 LEU A 55 2.080 16.710 2.276 1.00 0.64 H new ATOM 0 HD23 LEU A 55 3.658 16.687 3.097 1.00 0.64 H new ATOM 427 N PRO A 56 1.768 16.714 7.252 1.00 0.81 N ATOM 428 CA PRO A 56 1.148 16.852 8.571 1.00 0.94 C ATOM 429 C PRO A 56 -0.363 16.661 8.528 1.00 0.88 C ATOM 430 O PRO A 56 -1.033 16.658 9.559 1.00 1.19 O ATOM 431 CB PRO A 56 1.501 18.283 8.961 1.00 1.14 C ATOM 432 CG PRO A 56 1.577 19.021 7.667 1.00 1.26 C ATOM 433 CD PRO A 56 2.035 18.026 6.630 1.00 0.98 C ATOM 0 HA PRO A 56 1.501 16.099 9.276 1.00 0.94 H new ATOM 0 HB2 PRO A 56 0.744 18.712 9.618 1.00 1.14 H new ATOM 0 HB3 PRO A 56 2.449 18.325 9.497 1.00 1.14 H new ATOM 0 HG2 PRO A 56 0.606 19.438 7.401 1.00 1.26 H new ATOM 0 HG3 PRO A 56 2.274 19.856 7.737 1.00 1.26 H new ATOM 0 HD2 PRO A 56 1.487 18.143 5.695 1.00 0.98 H new ATOM 0 HD3 PRO A 56 3.093 18.150 6.398 1.00 0.98 H new ATOM 441 N ASN A 57 -0.889 16.504 7.326 1.00 0.63 N ATOM 442 CA ASN A 57 -2.310 16.265 7.132 1.00 0.62 C ATOM 443 C ASN A 57 -2.537 14.834 6.672 1.00 0.57 C ATOM 444 O ASN A 57 -3.649 14.451 6.304 1.00 0.59 O ATOM 445 CB ASN A 57 -2.885 17.255 6.110 1.00 0.68 C ATOM 446 CG ASN A 57 -2.039 17.371 4.853 1.00 1.32 C ATOM 447 OD1 ASN A 57 -1.366 16.423 4.442 1.00 2.22 O ATOM 448 ND2 ASN A 57 -2.059 18.541 4.235 1.00 1.73 N ATOM 0 H ASN A 57 -0.348 16.538 6.462 1.00 0.63 H new ATOM 0 HA ASN A 57 -2.825 16.415 8.081 1.00 0.62 H new ATOM 0 HB2 ASN A 57 -3.892 16.941 5.836 1.00 0.68 H new ATOM 0 HB3 ASN A 57 -2.973 18.237 6.574 1.00 0.68 H new ATOM 0 HD21 ASN A 57 -1.506 18.681 3.390 1.00 1.73 H new ATOM 0 HD22 ASN A 57 -2.628 19.303 4.604 1.00 1.73 H new ATOM 455 N PHE A 58 -1.461 14.050 6.719 1.00 0.62 N ATOM 456 CA PHE A 58 -1.454 12.677 6.231 1.00 0.70 C ATOM 457 C PHE A 58 -2.525 11.821 6.897 1.00 0.90 C ATOM 458 O PHE A 58 -3.317 11.168 6.213 1.00 1.77 O ATOM 459 CB PHE A 58 -0.079 12.056 6.468 1.00 0.69 C ATOM 460 CG PHE A 58 -0.010 10.597 6.137 1.00 0.65 C ATOM 461 CD1 PHE A 58 -0.217 10.159 4.844 1.00 0.89 C ATOM 462 CD2 PHE A 58 0.267 9.665 7.121 1.00 1.13 C ATOM 463 CE1 PHE A 58 -0.151 8.818 4.536 1.00 0.90 C ATOM 464 CE2 PHE A 58 0.335 8.322 6.819 1.00 1.15 C ATOM 465 CZ PHE A 58 0.126 7.899 5.523 1.00 0.69 C ATOM 0 H PHE A 58 -0.565 14.354 7.100 1.00 0.62 H new ATOM 0 HA PHE A 58 -1.676 12.707 5.164 1.00 0.70 H new ATOM 0 HB2 PHE A 58 0.659 12.590 5.869 1.00 0.69 H new ATOM 0 HB3 PHE A 58 0.197 12.195 7.513 1.00 0.69 H new ATOM 0 HD1 PHE A 58 -0.433 10.876 4.066 1.00 0.89 H new ATOM 0 HD2 PHE A 58 0.432 9.993 8.137 1.00 1.13 H new ATOM 0 HE1 PHE A 58 -0.316 8.488 3.521 1.00 0.90 H new ATOM 0 HE2 PHE A 58 0.551 7.603 7.595 1.00 1.15 H new ATOM 0 HZ PHE A 58 0.180 6.847 5.283 1.00 0.69 H new ATOM 475 N SER A 59 -2.533 11.820 8.223 1.00 0.91 N ATOM 476 CA SER A 59 -3.465 11.009 8.994 1.00 1.02 C ATOM 477 C SER A 59 -4.916 11.240 8.565 1.00 1.10 C ATOM 478 O SER A 59 -5.734 10.320 8.612 1.00 1.84 O ATOM 479 CB SER A 59 -3.295 11.319 10.481 1.00 1.21 C ATOM 480 OG SER A 59 -1.930 11.238 10.859 1.00 1.84 O ATOM 0 H SER A 59 -1.897 12.378 8.792 1.00 0.91 H new ATOM 0 HA SER A 59 -3.238 9.960 8.806 1.00 1.02 H new ATOM 0 HB2 SER A 59 -3.678 12.317 10.695 1.00 1.21 H new ATOM 0 HB3 SER A 59 -3.883 10.618 11.073 1.00 1.21 H new ATOM 0 HG SER A 59 -1.842 11.441 11.814 1.00 1.84 H new ATOM 486 N GLY A 60 -5.229 12.455 8.131 1.00 0.91 N ATOM 487 CA GLY A 60 -6.586 12.768 7.739 1.00 0.87 C ATOM 488 C GLY A 60 -6.865 12.505 6.270 1.00 0.66 C ATOM 489 O GLY A 60 -8.020 12.312 5.887 1.00 0.73 O ATOM 0 H GLY A 60 -4.567 13.226 8.044 1.00 0.91 H new ATOM 0 HA2 GLY A 60 -7.276 12.179 8.343 1.00 0.87 H new ATOM 0 HA3 GLY A 60 -6.787 13.817 7.957 1.00 0.87 H new ATOM 493 N ILE A 61 -5.831 12.501 5.434 1.00 0.50 N ATOM 494 CA ILE A 61 -6.042 12.297 4.003 1.00 0.54 C ATOM 495 C ILE A 61 -5.997 10.825 3.616 1.00 0.73 C ATOM 496 O ILE A 61 -6.710 10.415 2.707 1.00 1.81 O ATOM 497 CB ILE A 61 -5.058 13.091 3.104 1.00 0.58 C ATOM 498 CG1 ILE A 61 -3.615 12.930 3.582 1.00 0.64 C ATOM 499 CG2 ILE A 61 -5.453 14.559 3.048 1.00 0.79 C ATOM 500 CD1 ILE A 61 -2.606 13.697 2.752 1.00 0.78 C ATOM 0 H ILE A 61 -4.859 12.633 5.713 1.00 0.50 H new ATOM 0 HA ILE A 61 -7.043 12.688 3.822 1.00 0.54 H new ATOM 0 HB ILE A 61 -5.117 12.681 2.096 1.00 0.58 H new ATOM 0 HG12 ILE A 61 -3.546 13.262 4.618 1.00 0.64 H new ATOM 0 HG13 ILE A 61 -3.354 11.872 3.568 1.00 0.64 H new ATOM 0 HG21 ILE A 61 -4.752 15.101 2.413 1.00 0.79 H new ATOM 0 HG22 ILE A 61 -6.459 14.650 2.638 1.00 0.79 H new ATOM 0 HG23 ILE A 61 -5.432 14.980 4.053 1.00 0.79 H new ATOM 0 HD11 ILE A 61 -1.606 13.533 3.153 1.00 0.78 H new ATOM 0 HD12 ILE A 61 -2.645 13.350 1.720 1.00 0.78 H new ATOM 0 HD13 ILE A 61 -2.841 14.761 2.786 1.00 0.78 H new ATOM 512 N PHE A 62 -5.192 10.008 4.295 1.00 0.58 N ATOM 513 CA PHE A 62 -5.065 8.604 3.915 1.00 0.50 C ATOM 514 C PHE A 62 -5.152 7.720 5.151 1.00 0.51 C ATOM 515 O PHE A 62 -4.426 7.926 6.125 1.00 0.76 O ATOM 516 CB PHE A 62 -3.733 8.341 3.214 1.00 0.50 C ATOM 517 CG PHE A 62 -3.436 9.268 2.073 1.00 0.48 C ATOM 518 CD1 PHE A 62 -4.352 9.463 1.053 1.00 0.48 C ATOM 519 CD2 PHE A 62 -2.235 9.949 2.027 1.00 0.63 C ATOM 520 CE1 PHE A 62 -4.072 10.319 0.013 1.00 0.53 C ATOM 521 CE2 PHE A 62 -1.950 10.803 0.987 1.00 0.68 C ATOM 522 CZ PHE A 62 -2.870 10.988 -0.019 1.00 0.59 C ATOM 0 H PHE A 62 -4.628 10.289 5.097 1.00 0.58 H new ATOM 0 HA PHE A 62 -5.879 8.371 3.229 1.00 0.50 H new ATOM 0 HB2 PHE A 62 -2.930 8.419 3.947 1.00 0.50 H new ATOM 0 HB3 PHE A 62 -3.728 7.316 2.843 1.00 0.50 H new ATOM 0 HD1 PHE A 62 -5.296 8.938 1.074 1.00 0.48 H new ATOM 0 HD2 PHE A 62 -1.512 9.809 2.817 1.00 0.63 H new ATOM 0 HE1 PHE A 62 -4.794 10.466 -0.777 1.00 0.53 H new ATOM 0 HE2 PHE A 62 -1.006 11.327 0.960 1.00 0.68 H new ATOM 0 HZ PHE A 62 -2.648 11.660 -0.835 1.00 0.59 H new ATOM 532 N THR A 63 -6.041 6.745 5.112 1.00 0.34 N ATOM 533 CA THR A 63 -6.233 5.845 6.234 1.00 0.38 C ATOM 534 C THR A 63 -5.356 4.595 6.108 1.00 0.30 C ATOM 535 O THR A 63 -4.594 4.260 7.014 1.00 0.38 O ATOM 536 CB THR A 63 -7.710 5.429 6.348 1.00 0.48 C ATOM 537 OG1 THR A 63 -8.545 6.596 6.359 1.00 0.78 O ATOM 538 CG2 THR A 63 -7.953 4.619 7.613 1.00 0.66 C ATOM 0 H THR A 63 -6.644 6.556 4.312 1.00 0.34 H new ATOM 0 HA THR A 63 -5.939 6.383 7.135 1.00 0.38 H new ATOM 0 HB THR A 63 -7.956 4.808 5.487 1.00 0.48 H new ATOM 0 HG1 THR A 63 -9.484 6.326 6.430 1.00 0.78 H new ATOM 0 HG21 THR A 63 -9.005 4.338 7.669 1.00 0.66 H new ATOM 0 HG22 THR A 63 -7.338 3.720 7.593 1.00 0.66 H new ATOM 0 HG23 THR A 63 -7.691 5.218 8.485 1.00 0.66 H new ATOM 546 N HIS A 64 -5.463 3.917 4.971 1.00 0.26 N ATOM 547 CA HIS A 64 -4.829 2.612 4.786 1.00 0.25 C ATOM 548 C HIS A 64 -3.432 2.715 4.188 1.00 0.25 C ATOM 549 O HIS A 64 -2.623 1.801 4.343 1.00 0.54 O ATOM 550 CB HIS A 64 -5.702 1.710 3.913 1.00 0.33 C ATOM 551 CG HIS A 64 -6.847 1.099 4.656 1.00 0.43 C ATOM 552 ND1 HIS A 64 -7.207 -0.221 4.530 1.00 0.86 N ATOM 553 CD2 HIS A 64 -7.703 1.636 5.552 1.00 0.71 C ATOM 554 CE1 HIS A 64 -8.235 -0.468 5.321 1.00 0.83 C ATOM 555 NE2 HIS A 64 -8.555 0.641 5.955 1.00 0.68 N ATOM 0 H HIS A 64 -5.984 4.249 4.159 1.00 0.26 H new ATOM 0 HA HIS A 64 -4.726 2.173 5.778 1.00 0.25 H new ATOM 0 HB2 HIS A 64 -6.089 2.291 3.076 1.00 0.33 H new ATOM 0 HB3 HIS A 64 -5.085 0.916 3.492 1.00 0.33 H new ATOM 0 HD1 HIS A 64 -6.752 -0.902 3.922 1.00 0.86 H new ATOM 0 HD2 HIS A 64 -7.714 2.662 5.889 1.00 0.71 H new ATOM 0 HE1 HIS A 64 -8.731 -1.421 5.430 1.00 0.83 H new ATOM 564 N LEU A 65 -3.151 3.824 3.517 1.00 0.32 N ATOM 565 CA LEU A 65 -1.866 4.011 2.841 1.00 0.22 C ATOM 566 C LEU A 65 -0.713 3.935 3.845 1.00 0.20 C ATOM 567 O LEU A 65 0.383 3.474 3.522 1.00 0.24 O ATOM 568 CB LEU A 65 -1.847 5.350 2.081 1.00 0.29 C ATOM 569 CG LEU A 65 -2.682 5.407 0.781 1.00 0.36 C ATOM 570 CD1 LEU A 65 -2.158 4.425 -0.245 1.00 0.84 C ATOM 571 CD2 LEU A 65 -4.154 5.141 1.051 1.00 0.99 C ATOM 0 H LEU A 65 -3.794 4.611 3.424 1.00 0.32 H new ATOM 0 HA LEU A 65 -1.736 3.207 2.116 1.00 0.22 H new ATOM 0 HB2 LEU A 65 -2.204 6.131 2.753 1.00 0.29 H new ATOM 0 HB3 LEU A 65 -0.813 5.590 1.835 1.00 0.29 H new ATOM 0 HG LEU A 65 -2.586 6.416 0.381 1.00 0.36 H new ATOM 0 HD11 LEU A 65 -2.763 4.486 -1.149 1.00 0.84 H new ATOM 0 HD12 LEU A 65 -1.123 4.667 -0.485 1.00 0.84 H new ATOM 0 HD13 LEU A 65 -2.210 3.414 0.159 1.00 0.84 H new ATOM 0 HD21 LEU A 65 -4.710 5.189 0.115 1.00 0.99 H new ATOM 0 HD22 LEU A 65 -4.270 4.151 1.492 1.00 0.99 H new ATOM 0 HD23 LEU A 65 -4.539 5.892 1.741 1.00 0.99 H new ATOM 583 N GLU A 66 -0.985 4.371 5.071 1.00 0.30 N ATOM 584 CA GLU A 66 -0.027 4.286 6.170 1.00 0.40 C ATOM 585 C GLU A 66 0.391 2.837 6.438 1.00 0.38 C ATOM 586 O GLU A 66 1.579 2.505 6.401 1.00 0.38 O ATOM 587 CB GLU A 66 -0.651 4.918 7.426 1.00 0.53 C ATOM 588 CG GLU A 66 0.060 4.605 8.739 1.00 0.88 C ATOM 589 CD GLU A 66 1.517 5.022 8.763 1.00 1.12 C ATOM 590 OE1 GLU A 66 2.385 4.123 8.802 1.00 1.75 O ATOM 591 OE2 GLU A 66 1.805 6.235 8.764 1.00 1.75 O ATOM 0 H GLU A 66 -1.876 4.794 5.332 1.00 0.30 H new ATOM 0 HA GLU A 66 0.876 4.832 5.896 1.00 0.40 H new ATOM 0 HB2 GLU A 66 -0.674 6.000 7.294 1.00 0.53 H new ATOM 0 HB3 GLU A 66 -1.686 4.584 7.504 1.00 0.53 H new ATOM 0 HG2 GLU A 66 -0.464 5.105 9.553 1.00 0.88 H new ATOM 0 HG3 GLU A 66 -0.004 3.534 8.929 1.00 0.88 H new ATOM 598 N ARG A 67 -0.584 1.965 6.670 1.00 0.42 N ATOM 599 CA ARG A 67 -0.285 0.602 7.091 1.00 0.44 C ATOM 600 C ARG A 67 0.184 -0.257 5.922 1.00 0.39 C ATOM 601 O ARG A 67 0.920 -1.221 6.116 1.00 0.40 O ATOM 602 CB ARG A 67 -1.498 -0.036 7.779 1.00 0.54 C ATOM 603 CG ARG A 67 -1.266 -1.477 8.211 1.00 0.74 C ATOM 604 CD ARG A 67 -2.236 -1.910 9.298 1.00 0.86 C ATOM 605 NE ARG A 67 -3.635 -1.760 8.900 1.00 1.08 N ATOM 606 CZ ARG A 67 -4.665 -2.069 9.688 1.00 1.45 C ATOM 607 NH1 ARG A 67 -4.455 -2.549 10.908 1.00 1.71 N ATOM 608 NH2 ARG A 67 -5.905 -1.896 9.255 1.00 2.07 N ATOM 0 H ARG A 67 -1.578 2.174 6.575 1.00 0.42 H new ATOM 0 HA ARG A 67 0.532 0.655 7.811 1.00 0.44 H new ATOM 0 HB2 ARG A 67 -1.763 0.558 8.653 1.00 0.54 H new ATOM 0 HB3 ARG A 67 -2.350 -0.002 7.100 1.00 0.54 H new ATOM 0 HG2 ARG A 67 -1.371 -2.135 7.349 1.00 0.74 H new ATOM 0 HG3 ARG A 67 -0.244 -1.587 8.573 1.00 0.74 H new ATOM 0 HD2 ARG A 67 -2.046 -2.952 9.555 1.00 0.86 H new ATOM 0 HD3 ARG A 67 -2.053 -1.322 10.197 1.00 0.86 H new ATOM 0 HE ARG A 67 -3.834 -1.399 7.967 1.00 1.08 H new ATOM 0 HH11 ARG A 67 -3.502 -2.683 11.246 1.00 1.71 H new ATOM 0 HH12 ARG A 67 -5.247 -2.784 11.507 1.00 1.71 H new ATOM 0 HH21 ARG A 67 -6.071 -1.527 8.319 1.00 2.07 H new ATOM 0 HH22 ARG A 67 -6.693 -2.132 9.858 1.00 2.07 H new ATOM 622 N LEU A 68 -0.209 0.098 4.707 1.00 0.35 N ATOM 623 CA LEU A 68 0.195 -0.680 3.540 1.00 0.34 C ATOM 624 C LEU A 68 1.689 -0.535 3.256 1.00 0.31 C ATOM 625 O LEU A 68 2.283 -1.388 2.609 1.00 0.40 O ATOM 626 CB LEU A 68 -0.637 -0.317 2.310 1.00 0.33 C ATOM 627 CG LEU A 68 -2.060 -0.885 2.307 1.00 0.41 C ATOM 628 CD1 LEU A 68 -2.732 -0.630 0.971 1.00 0.37 C ATOM 629 CD2 LEU A 68 -2.050 -2.376 2.618 1.00 0.61 C ATOM 0 H LEU A 68 -0.797 0.906 4.503 1.00 0.35 H new ATOM 0 HA LEU A 68 0.005 -1.728 3.771 1.00 0.34 H new ATOM 0 HB2 LEU A 68 -0.694 0.769 2.235 1.00 0.33 H new ATOM 0 HB3 LEU A 68 -0.117 -0.671 1.420 1.00 0.33 H new ATOM 0 HG LEU A 68 -2.629 -0.377 3.086 1.00 0.41 H new ATOM 0 HD11 LEU A 68 -3.742 -1.040 0.987 1.00 0.37 H new ATOM 0 HD12 LEU A 68 -2.779 0.443 0.787 1.00 0.37 H new ATOM 0 HD13 LEU A 68 -2.158 -1.109 0.178 1.00 0.37 H new ATOM 0 HD21 LEU A 68 -3.072 -2.756 2.610 1.00 0.61 H new ATOM 0 HD22 LEU A 68 -1.462 -2.901 1.865 1.00 0.61 H new ATOM 0 HD23 LEU A 68 -1.610 -2.540 3.602 1.00 0.61 H new ATOM 641 N LEU A 69 2.305 0.521 3.774 1.00 0.27 N ATOM 642 CA LEU A 69 3.759 0.646 3.696 1.00 0.24 C ATOM 643 C LEU A 69 4.372 -0.095 4.877 1.00 0.25 C ATOM 644 O LEU A 69 5.397 -0.778 4.766 1.00 0.26 O ATOM 645 CB LEU A 69 4.218 2.116 3.715 1.00 0.25 C ATOM 646 CG LEU A 69 4.262 2.841 2.357 1.00 0.23 C ATOM 647 CD1 LEU A 69 5.653 3.367 2.077 1.00 0.25 C ATOM 648 CD2 LEU A 69 3.823 1.931 1.229 1.00 0.30 C ATOM 0 H LEU A 69 1.832 1.292 4.245 1.00 0.27 H new ATOM 0 HA LEU A 69 4.090 0.216 2.751 1.00 0.24 H new ATOM 0 HB2 LEU A 69 3.554 2.672 4.377 1.00 0.25 H new ATOM 0 HB3 LEU A 69 5.214 2.156 4.155 1.00 0.25 H new ATOM 0 HG LEU A 69 3.567 3.679 2.413 1.00 0.23 H new ATOM 0 HD11 LEU A 69 5.662 3.876 1.113 1.00 0.25 H new ATOM 0 HD12 LEU A 69 5.941 4.068 2.860 1.00 0.25 H new ATOM 0 HD13 LEU A 69 6.359 2.536 2.056 1.00 0.25 H new ATOM 0 HD21 LEU A 69 3.866 2.475 0.285 1.00 0.30 H new ATOM 0 HD22 LEU A 69 4.485 1.066 1.180 1.00 0.30 H new ATOM 0 HD23 LEU A 69 2.801 1.596 1.408 1.00 0.30 H new ATOM 660 N ASP A 70 3.668 -0.045 5.990 1.00 0.29 N ATOM 661 CA ASP A 70 4.194 -0.584 7.226 1.00 0.35 C ATOM 662 C ASP A 70 4.217 -2.096 7.126 1.00 0.38 C ATOM 663 O ASP A 70 5.086 -2.758 7.693 1.00 0.43 O ATOM 664 CB ASP A 70 3.359 -0.120 8.418 1.00 0.43 C ATOM 665 CG ASP A 70 3.890 -0.635 9.741 1.00 0.91 C ATOM 666 OD1 ASP A 70 3.188 -1.432 10.394 1.00 1.62 O ATOM 667 OD2 ASP A 70 5.010 -0.236 10.140 1.00 1.56 O ATOM 0 H ASP A 70 2.735 0.361 6.063 1.00 0.29 H new ATOM 0 HA ASP A 70 5.209 -0.219 7.384 1.00 0.35 H new ATOM 0 HB2 ASP A 70 3.338 0.970 8.439 1.00 0.43 H new ATOM 0 HB3 ASP A 70 2.330 -0.456 8.289 1.00 0.43 H new ATOM 672 N GLU A 71 3.275 -2.638 6.362 1.00 0.42 N ATOM 673 CA GLU A 71 3.257 -4.050 6.063 1.00 0.50 C ATOM 674 C GLU A 71 4.189 -4.362 4.899 1.00 0.45 C ATOM 675 O GLU A 71 5.051 -5.207 5.035 1.00 0.48 O ATOM 676 CB GLU A 71 1.837 -4.520 5.741 1.00 0.61 C ATOM 677 CG GLU A 71 1.270 -5.483 6.768 1.00 0.94 C ATOM 678 CD GLU A 71 2.142 -6.708 6.964 1.00 1.47 C ATOM 679 OE1 GLU A 71 2.971 -6.714 7.896 1.00 2.14 O ATOM 680 OE2 GLU A 71 2.003 -7.681 6.188 1.00 2.18 O ATOM 0 H GLU A 71 2.512 -2.109 5.939 1.00 0.42 H new ATOM 0 HA GLU A 71 3.606 -4.586 6.945 1.00 0.50 H new ATOM 0 HB2 GLU A 71 1.183 -3.651 5.669 1.00 0.61 H new ATOM 0 HB3 GLU A 71 1.835 -5.002 4.763 1.00 0.61 H new ATOM 0 HG2 GLU A 71 1.157 -4.966 7.721 1.00 0.94 H new ATOM 0 HG3 GLU A 71 0.274 -5.797 6.455 1.00 0.94 H new ATOM 687 N GLU A 72 4.053 -3.648 3.773 1.00 0.43 N ATOM 688 CA GLU A 72 4.827 -3.974 2.564 1.00 0.45 C ATOM 689 C GLU A 72 6.319 -3.766 2.793 1.00 0.42 C ATOM 690 O GLU A 72 7.139 -4.607 2.432 1.00 0.47 O ATOM 691 CB GLU A 72 4.386 -3.128 1.368 1.00 0.46 C ATOM 692 CG GLU A 72 5.170 -3.438 0.100 1.00 0.57 C ATOM 693 CD GLU A 72 4.755 -4.743 -0.546 1.00 0.91 C ATOM 694 OE1 GLU A 72 4.684 -5.772 0.159 1.00 1.69 O ATOM 695 OE2 GLU A 72 4.514 -4.749 -1.768 1.00 1.33 O ATOM 0 H GLU A 72 3.424 -2.851 3.672 1.00 0.43 H new ATOM 0 HA GLU A 72 4.637 -5.025 2.345 1.00 0.45 H new ATOM 0 HB2 GLU A 72 3.325 -3.295 1.183 1.00 0.46 H new ATOM 0 HB3 GLU A 72 4.504 -2.072 1.613 1.00 0.46 H new ATOM 0 HG2 GLU A 72 5.033 -2.626 -0.614 1.00 0.57 H new ATOM 0 HG3 GLU A 72 6.233 -3.478 0.337 1.00 0.57 H new ATOM 702 N ILE A 73 6.653 -2.663 3.442 1.00 0.35 N ATOM 703 CA ILE A 73 8.040 -2.337 3.732 1.00 0.34 C ATOM 704 C ILE A 73 8.583 -3.378 4.680 1.00 0.40 C ATOM 705 O ILE A 73 9.756 -3.747 4.632 1.00 0.45 O ATOM 706 CB ILE A 73 8.185 -0.930 4.348 1.00 0.29 C ATOM 707 CG1 ILE A 73 8.017 0.122 3.264 1.00 0.27 C ATOM 708 CG2 ILE A 73 9.519 -0.758 5.060 1.00 0.33 C ATOM 709 CD1 ILE A 73 8.151 1.535 3.771 1.00 0.27 C ATOM 0 H ILE A 73 5.980 -1.975 3.779 1.00 0.35 H new ATOM 0 HA ILE A 73 8.604 -2.335 2.799 1.00 0.34 H new ATOM 0 HB ILE A 73 7.404 -0.806 5.098 1.00 0.29 H new ATOM 0 HG12 ILE A 73 8.761 -0.048 2.485 1.00 0.27 H new ATOM 0 HG13 ILE A 73 7.038 0.002 2.801 1.00 0.27 H new ATOM 0 HG21 ILE A 73 9.581 0.246 5.479 1.00 0.33 H new ATOM 0 HG22 ILE A 73 9.601 -1.492 5.862 1.00 0.33 H new ATOM 0 HG23 ILE A 73 10.332 -0.905 4.349 1.00 0.33 H new ATOM 0 HD11 ILE A 73 8.020 2.232 2.944 1.00 0.27 H new ATOM 0 HD12 ILE A 73 7.390 1.723 4.529 1.00 0.27 H new ATOM 0 HD13 ILE A 73 9.140 1.673 4.208 1.00 0.27 H new ATOM 721 N SER A 74 7.693 -3.885 5.510 1.00 0.41 N ATOM 722 CA SER A 74 8.053 -4.967 6.408 1.00 0.49 C ATOM 723 C SER A 74 8.277 -6.268 5.618 1.00 0.54 C ATOM 724 O SER A 74 9.303 -6.929 5.784 1.00 0.60 O ATOM 725 CB SER A 74 6.969 -5.162 7.476 1.00 0.52 C ATOM 726 OG SER A 74 7.294 -6.218 8.365 1.00 1.34 O ATOM 0 H SER A 74 6.725 -3.570 5.582 1.00 0.41 H new ATOM 0 HA SER A 74 8.984 -4.705 6.910 1.00 0.49 H new ATOM 0 HB2 SER A 74 6.843 -4.238 8.039 1.00 0.52 H new ATOM 0 HB3 SER A 74 6.015 -5.374 6.992 1.00 0.52 H new ATOM 0 HG SER A 74 6.583 -6.314 9.033 1.00 1.34 H new ATOM 732 N ARG A 75 7.329 -6.589 4.728 1.00 0.55 N ATOM 733 CA ARG A 75 7.364 -7.822 3.925 1.00 0.63 C ATOM 734 C ARG A 75 8.676 -7.907 3.173 1.00 0.65 C ATOM 735 O ARG A 75 9.398 -8.904 3.230 1.00 0.72 O ATOM 736 CB ARG A 75 6.231 -7.843 2.887 1.00 0.74 C ATOM 737 CG ARG A 75 4.851 -7.559 3.443 1.00 0.76 C ATOM 738 CD ARG A 75 4.309 -8.705 4.278 1.00 1.25 C ATOM 739 NE ARG A 75 3.767 -9.778 3.447 1.00 1.84 N ATOM 740 CZ ARG A 75 2.478 -10.123 3.421 1.00 2.73 C ATOM 741 NH1 ARG A 75 1.591 -9.481 4.180 1.00 3.05 N ATOM 742 NH2 ARG A 75 2.074 -11.111 2.631 1.00 3.67 N ATOM 0 H ARG A 75 6.515 -6.002 4.543 1.00 0.55 H new ATOM 0 HA ARG A 75 7.249 -8.662 4.610 1.00 0.63 H new ATOM 0 HB2 ARG A 75 6.453 -7.108 2.113 1.00 0.74 H new ATOM 0 HB3 ARG A 75 6.218 -8.820 2.404 1.00 0.74 H new ATOM 0 HG2 ARG A 75 4.888 -6.656 4.053 1.00 0.76 H new ATOM 0 HG3 ARG A 75 4.166 -7.359 2.619 1.00 0.76 H new ATOM 0 HD2 ARG A 75 5.104 -9.102 4.909 1.00 1.25 H new ATOM 0 HD3 ARG A 75 3.530 -8.332 4.943 1.00 1.25 H new ATOM 0 HE ARG A 75 4.413 -10.295 2.851 1.00 1.84 H new ATOM 0 HH11 ARG A 75 1.895 -8.720 4.787 1.00 3.05 H new ATOM 0 HH12 ARG A 75 0.608 -9.751 4.154 1.00 3.05 H new ATOM 0 HH21 ARG A 75 2.748 -11.604 2.046 1.00 3.67 H new ATOM 0 HH22 ARG A 75 1.089 -11.377 2.609 1.00 3.67 H new ATOM 756 N VAL A 76 8.967 -6.820 2.485 1.00 0.62 N ATOM 757 CA VAL A 76 10.138 -6.703 1.637 1.00 0.67 C ATOM 758 C VAL A 76 11.436 -6.818 2.446 1.00 0.71 C ATOM 759 O VAL A 76 12.476 -7.193 1.917 1.00 0.84 O ATOM 760 CB VAL A 76 10.082 -5.357 0.879 1.00 0.61 C ATOM 761 CG1 VAL A 76 11.290 -5.156 -0.012 1.00 0.64 C ATOM 762 CG2 VAL A 76 8.805 -5.265 0.054 1.00 0.58 C ATOM 0 H VAL A 76 8.388 -5.980 2.500 1.00 0.62 H new ATOM 0 HA VAL A 76 10.135 -7.526 0.922 1.00 0.67 H new ATOM 0 HB VAL A 76 10.087 -4.564 1.627 1.00 0.61 H new ATOM 0 HG11 VAL A 76 11.208 -4.198 -0.525 1.00 0.64 H new ATOM 0 HG12 VAL A 76 12.195 -5.167 0.595 1.00 0.64 H new ATOM 0 HG13 VAL A 76 11.337 -5.959 -0.748 1.00 0.64 H new ATOM 0 HG21 VAL A 76 8.781 -4.312 -0.474 1.00 0.58 H new ATOM 0 HG22 VAL A 76 8.779 -6.080 -0.669 1.00 0.58 H new ATOM 0 HG23 VAL A 76 7.940 -5.337 0.713 1.00 0.58 H new ATOM 772 N ARG A 77 11.373 -6.529 3.737 1.00 0.65 N ATOM 773 CA ARG A 77 12.562 -6.600 4.577 1.00 0.73 C ATOM 774 C ARG A 77 12.733 -7.985 5.208 1.00 0.86 C ATOM 775 O ARG A 77 13.827 -8.337 5.650 1.00 0.98 O ATOM 776 CB ARG A 77 12.525 -5.527 5.666 1.00 0.75 C ATOM 777 CG ARG A 77 12.848 -4.132 5.157 1.00 0.81 C ATOM 778 CD ARG A 77 12.773 -3.102 6.272 1.00 0.84 C ATOM 779 NE ARG A 77 13.258 -1.789 5.843 1.00 1.39 N ATOM 780 CZ ARG A 77 12.879 -0.637 6.393 1.00 1.71 C ATOM 781 NH1 ARG A 77 11.990 -0.627 7.376 1.00 1.45 N ATOM 782 NH2 ARG A 77 13.388 0.509 5.959 1.00 2.73 N ATOM 0 H ARG A 77 10.522 -6.246 4.223 1.00 0.65 H new ATOM 0 HA ARG A 77 13.421 -6.418 3.931 1.00 0.73 H new ATOM 0 HB2 ARG A 77 11.535 -5.518 6.122 1.00 0.75 H new ATOM 0 HB3 ARG A 77 13.235 -5.792 6.450 1.00 0.75 H new ATOM 0 HG2 ARG A 77 13.847 -4.125 4.720 1.00 0.81 H new ATOM 0 HG3 ARG A 77 12.151 -3.862 4.364 1.00 0.81 H new ATOM 0 HD2 ARG A 77 11.742 -3.013 6.614 1.00 0.84 H new ATOM 0 HD3 ARG A 77 13.362 -3.445 7.122 1.00 0.84 H new ATOM 0 HE ARG A 77 13.928 -1.754 5.075 1.00 1.39 H new ATOM 0 HH11 ARG A 77 11.593 -1.504 7.714 1.00 1.45 H new ATOM 0 HH12 ARG A 77 11.702 0.258 7.795 1.00 1.45 H new ATOM 0 HH21 ARG A 77 14.072 0.509 5.202 1.00 2.73 H new ATOM 0 HH22 ARG A 77 13.096 1.390 6.382 1.00 2.73 H new ATOM 796 N LYS A 78 11.655 -8.756 5.281 1.00 0.90 N ATOM 797 CA LYS A 78 11.743 -10.124 5.774 1.00 1.08 C ATOM 798 C LYS A 78 12.244 -11.036 4.679 1.00 1.11 C ATOM 799 O LYS A 78 13.132 -11.863 4.888 1.00 1.32 O ATOM 800 CB LYS A 78 10.389 -10.616 6.231 1.00 1.13 C ATOM 801 CG LYS A 78 9.806 -9.820 7.369 1.00 1.35 C ATOM 802 CD LYS A 78 8.385 -9.461 7.038 1.00 2.01 C ATOM 803 CE LYS A 78 7.464 -10.667 7.121 1.00 2.67 C ATOM 804 NZ LYS A 78 7.438 -11.247 8.489 1.00 3.44 N ATOM 0 H LYS A 78 10.718 -8.461 5.008 1.00 0.90 H new ATOM 0 HA LYS A 78 12.435 -10.135 6.616 1.00 1.08 H new ATOM 0 HB2 LYS A 78 9.699 -10.587 5.388 1.00 1.13 H new ATOM 0 HB3 LYS A 78 10.476 -11.659 6.536 1.00 1.13 H new ATOM 0 HG2 LYS A 78 9.843 -10.400 8.291 1.00 1.35 H new ATOM 0 HG3 LYS A 78 10.393 -8.917 7.536 1.00 1.35 H new ATOM 0 HD2 LYS A 78 8.036 -8.689 7.724 1.00 2.01 H new ATOM 0 HD3 LYS A 78 8.341 -9.039 6.034 1.00 2.01 H new ATOM 0 HE2 LYS A 78 6.455 -10.375 6.831 1.00 2.67 H new ATOM 0 HE3 LYS A 78 7.793 -11.425 6.411 1.00 2.67 H new ATOM 0 HZ1 LYS A 78 6.590 -11.839 8.599 1.00 3.44 H new ATOM 0 HZ2 LYS A 78 8.288 -11.829 8.636 1.00 3.44 H new ATOM 0 HZ3 LYS A 78 7.418 -10.480 9.191 1.00 3.44 H new ATOM 999 N THR B 38 -11.619 -7.127 5.100 1.00 0.97 N ATOM 1000 CA THR B 38 -13.060 -7.100 5.258 1.00 0.84 C ATOM 1001 C THR B 38 -13.661 -6.037 4.345 1.00 0.72 C ATOM 1002 O THR B 38 -12.922 -5.222 3.792 1.00 0.66 O ATOM 1003 CB THR B 38 -13.440 -6.798 6.720 1.00 0.79 C ATOM 1004 OG1 THR B 38 -12.771 -5.606 7.157 1.00 0.85 O ATOM 1005 CG2 THR B 38 -13.066 -7.959 7.629 1.00 0.95 C ATOM 0 HA THR B 38 -13.455 -8.079 4.988 1.00 0.84 H new ATOM 0 HB THR B 38 -14.519 -6.653 6.773 1.00 0.79 H new ATOM 0 HG1 THR B 38 -13.016 -5.416 8.087 1.00 0.85 H new ATOM 0 HG21 THR B 38 -13.344 -7.721 8.656 1.00 0.95 H new ATOM 0 HG22 THR B 38 -13.594 -8.857 7.308 1.00 0.95 H new ATOM 0 HG23 THR B 38 -11.991 -8.132 7.575 1.00 0.95 H new ATOM 1013 N PRO B 39 -14.986 -6.031 4.130 1.00 0.74 N ATOM 1014 CA PRO B 39 -15.630 -4.975 3.354 1.00 0.70 C ATOM 1015 C PRO B 39 -15.267 -3.592 3.881 1.00 0.62 C ATOM 1016 O PRO B 39 -14.975 -2.686 3.110 1.00 0.56 O ATOM 1017 CB PRO B 39 -17.118 -5.252 3.530 1.00 0.78 C ATOM 1018 CG PRO B 39 -17.196 -6.714 3.808 1.00 0.87 C ATOM 1019 CD PRO B 39 -15.946 -7.057 4.575 1.00 0.83 C ATOM 0 HA PRO B 39 -15.317 -4.978 2.310 1.00 0.70 H new ATOM 0 HB2 PRO B 39 -17.536 -4.669 4.351 1.00 0.78 H new ATOM 0 HB3 PRO B 39 -17.679 -4.988 2.634 1.00 0.78 H new ATOM 0 HG2 PRO B 39 -18.088 -6.954 4.387 1.00 0.87 H new ATOM 0 HG3 PRO B 39 -17.254 -7.285 2.881 1.00 0.87 H new ATOM 0 HD2 PRO B 39 -16.110 -7.015 5.652 1.00 0.83 H new ATOM 0 HD3 PRO B 39 -15.596 -8.063 4.345 1.00 0.83 H new ATOM 1027 N ASP B 40 -15.250 -3.446 5.200 1.00 0.65 N ATOM 1028 CA ASP B 40 -14.837 -2.190 5.824 1.00 0.64 C ATOM 1029 C ASP B 40 -13.421 -1.826 5.402 1.00 0.57 C ATOM 1030 O ASP B 40 -13.126 -0.667 5.107 1.00 0.57 O ATOM 1031 CB ASP B 40 -14.913 -2.296 7.346 1.00 0.72 C ATOM 1032 CG ASP B 40 -16.333 -2.260 7.863 1.00 1.44 C ATOM 1033 OD1 ASP B 40 -16.723 -1.237 8.466 1.00 2.22 O ATOM 1034 OD2 ASP B 40 -17.069 -3.250 7.669 1.00 2.16 O ATOM 0 H ASP B 40 -15.516 -4.178 5.859 1.00 0.65 H new ATOM 0 HA ASP B 40 -15.517 -1.406 5.492 1.00 0.64 H new ATOM 0 HB2 ASP B 40 -14.438 -3.223 7.666 1.00 0.72 H new ATOM 0 HB3 ASP B 40 -14.347 -1.478 7.792 1.00 0.72 H new ATOM 1039 N TYR B 41 -12.557 -2.831 5.356 1.00 0.57 N ATOM 1040 CA TYR B 41 -11.180 -2.659 4.910 1.00 0.54 C ATOM 1041 C TYR B 41 -11.152 -2.184 3.457 1.00 0.46 C ATOM 1042 O TYR B 41 -10.293 -1.391 3.065 1.00 0.43 O ATOM 1043 CB TYR B 41 -10.432 -3.994 5.053 1.00 0.61 C ATOM 1044 CG TYR B 41 -8.928 -3.918 4.883 1.00 0.63 C ATOM 1045 CD1 TYR B 41 -8.336 -3.978 3.626 1.00 0.64 C ATOM 1046 CD2 TYR B 41 -8.097 -3.804 5.991 1.00 0.84 C ATOM 1047 CE1 TYR B 41 -6.961 -3.927 3.479 1.00 0.69 C ATOM 1048 CE2 TYR B 41 -6.724 -3.749 5.853 1.00 0.88 C ATOM 1049 CZ TYR B 41 -6.161 -3.814 4.595 1.00 0.73 C ATOM 1050 OH TYR B 41 -4.795 -3.760 4.459 1.00 0.82 O ATOM 0 H TYR B 41 -12.790 -3.787 5.626 1.00 0.57 H new ATOM 0 HA TYR B 41 -10.689 -1.905 5.525 1.00 0.54 H new ATOM 0 HB2 TYR B 41 -10.649 -4.409 6.037 1.00 0.61 H new ATOM 0 HB3 TYR B 41 -10.829 -4.694 4.318 1.00 0.61 H new ATOM 0 HD1 TYR B 41 -8.960 -4.066 2.749 1.00 0.64 H new ATOM 0 HD2 TYR B 41 -8.533 -3.758 6.978 1.00 0.84 H new ATOM 0 HE1 TYR B 41 -6.518 -3.975 2.495 1.00 0.69 H new ATOM 0 HE2 TYR B 41 -6.094 -3.656 6.725 1.00 0.88 H new ATOM 0 HH TYR B 41 -4.526 -4.259 3.660 1.00 0.82 H new ATOM 1060 N LEU B 42 -12.127 -2.640 2.677 1.00 0.44 N ATOM 1061 CA LEU B 42 -12.187 -2.332 1.253 1.00 0.39 C ATOM 1062 C LEU B 42 -12.849 -0.980 1.004 1.00 0.36 C ATOM 1063 O LEU B 42 -12.427 -0.232 0.126 1.00 0.34 O ATOM 1064 CB LEU B 42 -12.952 -3.427 0.501 1.00 0.43 C ATOM 1065 CG LEU B 42 -13.124 -3.192 -1.003 1.00 0.41 C ATOM 1066 CD1 LEU B 42 -11.775 -3.074 -1.687 1.00 0.37 C ATOM 1067 CD2 LEU B 42 -13.941 -4.311 -1.630 1.00 0.48 C ATOM 0 H LEU B 42 -12.891 -3.228 3.010 1.00 0.44 H new ATOM 0 HA LEU B 42 -11.163 -2.287 0.882 1.00 0.39 H new ATOM 0 HB2 LEU B 42 -12.434 -4.375 0.647 1.00 0.43 H new ATOM 0 HB3 LEU B 42 -13.939 -3.531 0.951 1.00 0.43 H new ATOM 0 HG LEU B 42 -13.661 -2.253 -1.140 1.00 0.41 H new ATOM 0 HD11 LEU B 42 -11.921 -2.907 -2.754 1.00 0.37 H new ATOM 0 HD12 LEU B 42 -11.223 -2.236 -1.261 1.00 0.37 H new ATOM 0 HD13 LEU B 42 -11.210 -3.994 -1.538 1.00 0.37 H new ATOM 0 HD21 LEU B 42 -14.052 -4.126 -2.698 1.00 0.48 H new ATOM 0 HD22 LEU B 42 -13.432 -5.263 -1.478 1.00 0.48 H new ATOM 0 HD23 LEU B 42 -14.926 -4.348 -1.164 1.00 0.48 H new ATOM 1079 N MET B 43 -13.863 -0.654 1.796 1.00 0.39 N ATOM 1080 CA MET B 43 -14.628 0.570 1.586 1.00 0.40 C ATOM 1081 C MET B 43 -13.767 1.769 1.923 1.00 0.36 C ATOM 1082 O MET B 43 -13.868 2.825 1.297 1.00 0.36 O ATOM 1083 CB MET B 43 -15.904 0.582 2.436 1.00 0.47 C ATOM 1084 CG MET B 43 -17.162 0.155 1.712 1.00 0.63 C ATOM 1085 SD MET B 43 -17.413 -1.637 1.651 1.00 0.85 S ATOM 1086 CE MET B 43 -16.325 -2.132 0.315 1.00 0.54 C ATOM 0 H MET B 43 -14.174 -1.218 2.587 1.00 0.39 H new ATOM 0 HA MET B 43 -14.925 0.615 0.538 1.00 0.40 H new ATOM 0 HB2 MET B 43 -15.757 -0.074 3.294 1.00 0.47 H new ATOM 0 HB3 MET B 43 -16.052 1.589 2.827 1.00 0.47 H new ATOM 0 HG2 MET B 43 -18.022 0.614 2.200 1.00 0.63 H new ATOM 0 HG3 MET B 43 -17.130 0.541 0.693 1.00 0.63 H new ATOM 0 HE1 MET B 43 -15.910 -3.117 0.530 1.00 0.54 H new ATOM 0 HE2 MET B 43 -16.888 -2.171 -0.617 1.00 0.54 H new ATOM 0 HE3 MET B 43 -15.514 -1.410 0.219 1.00 0.54 H new ATOM 1096 N GLN B 44 -12.903 1.582 2.907 1.00 0.36 N ATOM 1097 CA GLN B 44 -11.937 2.605 3.275 1.00 0.35 C ATOM 1098 C GLN B 44 -10.915 2.772 2.159 1.00 0.30 C ATOM 1099 O GLN B 44 -10.540 3.885 1.804 1.00 0.30 O ATOM 1100 CB GLN B 44 -11.234 2.234 4.579 1.00 0.42 C ATOM 1101 CG GLN B 44 -12.139 2.276 5.797 1.00 0.52 C ATOM 1102 CD GLN B 44 -11.467 1.719 7.034 1.00 0.64 C ATOM 1103 OE1 GLN B 44 -10.800 2.437 7.773 1.00 0.92 O ATOM 1104 NE2 GLN B 44 -11.634 0.429 7.259 1.00 0.75 N ATOM 0 H GLN B 44 -12.850 0.731 3.466 1.00 0.36 H new ATOM 0 HA GLN B 44 -12.464 3.548 3.424 1.00 0.35 H new ATOM 0 HB2 GLN B 44 -10.816 1.232 4.483 1.00 0.42 H new ATOM 0 HB3 GLN B 44 -10.397 2.915 4.736 1.00 0.42 H new ATOM 0 HG2 GLN B 44 -12.444 3.306 5.985 1.00 0.52 H new ATOM 0 HG3 GLN B 44 -13.046 1.707 5.592 1.00 0.52 H new ATOM 0 HE21 GLN B 44 -12.197 -0.132 6.619 1.00 0.75 H new ATOM 0 HE22 GLN B 44 -11.200 -0.007 8.073 1.00 0.75 H new ATOM 1113 N LEU B 45 -10.487 1.647 1.595 1.00 0.27 N ATOM 1114 CA LEU B 45 -9.527 1.648 0.500 1.00 0.25 C ATOM 1115 C LEU B 45 -10.076 2.355 -0.730 1.00 0.23 C ATOM 1116 O LEU B 45 -9.349 3.070 -1.420 1.00 0.23 O ATOM 1117 CB LEU B 45 -9.149 0.219 0.122 1.00 0.29 C ATOM 1118 CG LEU B 45 -8.032 -0.412 0.943 1.00 0.32 C ATOM 1119 CD1 LEU B 45 -7.805 -1.851 0.510 1.00 0.38 C ATOM 1120 CD2 LEU B 45 -6.755 0.394 0.779 1.00 0.31 C ATOM 0 H LEU B 45 -10.793 0.717 1.882 1.00 0.27 H new ATOM 0 HA LEU B 45 -8.646 2.187 0.847 1.00 0.25 H new ATOM 0 HB2 LEU B 45 -10.037 -0.407 0.211 1.00 0.29 H new ATOM 0 HB3 LEU B 45 -8.854 0.207 -0.927 1.00 0.29 H new ATOM 0 HG LEU B 45 -8.321 -0.410 1.994 1.00 0.32 H new ATOM 0 HD11 LEU B 45 -7.004 -2.288 1.106 1.00 0.38 H new ATOM 0 HD12 LEU B 45 -8.721 -2.424 0.657 1.00 0.38 H new ATOM 0 HD13 LEU B 45 -7.528 -1.874 -0.544 1.00 0.38 H new ATOM 0 HD21 LEU B 45 -5.959 -0.061 1.368 1.00 0.31 H new ATOM 0 HD22 LEU B 45 -6.466 0.408 -0.272 1.00 0.31 H new ATOM 0 HD23 LEU B 45 -6.922 1.415 1.123 1.00 0.31 H new ATOM 1132 N MET B 46 -11.360 2.164 -0.997 1.00 0.26 N ATOM 1133 CA MET B 46 -11.966 2.711 -2.200 1.00 0.27 C ATOM 1134 C MET B 46 -11.977 4.226 -2.148 1.00 0.26 C ATOM 1135 O MET B 46 -11.830 4.892 -3.171 1.00 0.40 O ATOM 1136 CB MET B 46 -13.391 2.198 -2.396 1.00 0.33 C ATOM 1137 CG MET B 46 -13.477 0.705 -2.649 1.00 0.38 C ATOM 1138 SD MET B 46 -15.095 0.204 -3.263 1.00 0.49 S ATOM 1139 CE MET B 46 -16.167 0.889 -2.003 1.00 0.49 C ATOM 0 H MET B 46 -11.998 1.638 -0.400 1.00 0.26 H new ATOM 0 HA MET B 46 -11.363 2.380 -3.045 1.00 0.27 H new ATOM 0 HB2 MET B 46 -13.979 2.441 -1.511 1.00 0.33 H new ATOM 0 HB3 MET B 46 -13.845 2.726 -3.235 1.00 0.33 H new ATOM 0 HG2 MET B 46 -12.713 0.417 -3.371 1.00 0.38 H new ATOM 0 HG3 MET B 46 -13.261 0.170 -1.725 1.00 0.38 H new ATOM 0 HE1 MET B 46 -16.774 0.094 -1.570 1.00 0.49 H new ATOM 0 HE2 MET B 46 -15.562 1.350 -1.222 1.00 0.49 H new ATOM 0 HE3 MET B 46 -16.818 1.641 -2.449 1.00 0.49 H new ATOM 1149 N ASN B 47 -12.132 4.771 -0.951 1.00 0.24 N ATOM 1150 CA ASN B 47 -12.168 6.211 -0.771 1.00 0.30 C ATOM 1151 C ASN B 47 -10.752 6.778 -0.715 1.00 0.26 C ATOM 1152 O ASN B 47 -10.502 7.900 -1.153 1.00 0.28 O ATOM 1153 CB ASN B 47 -12.942 6.555 0.505 1.00 0.42 C ATOM 1154 CG ASN B 47 -12.985 8.043 0.792 1.00 0.80 C ATOM 1155 OD1 ASN B 47 -12.159 8.567 1.537 1.00 1.60 O ATOM 1156 ND2 ASN B 47 -13.951 8.733 0.207 1.00 1.43 N ATOM 0 H ASN B 47 -12.235 4.235 -0.089 1.00 0.24 H new ATOM 0 HA ASN B 47 -12.678 6.663 -1.622 1.00 0.30 H new ATOM 0 HB2 ASN B 47 -13.961 6.178 0.417 1.00 0.42 H new ATOM 0 HB3 ASN B 47 -12.484 6.041 1.350 1.00 0.42 H new ATOM 0 HD21 ASN B 47 -14.030 9.737 0.368 1.00 1.43 H new ATOM 0 HD22 ASN B 47 -14.617 8.261 -0.405 1.00 1.43 H new ATOM 1163 N ASP B 48 -9.817 5.972 -0.220 1.00 0.24 N ATOM 1164 CA ASP B 48 -8.420 6.389 -0.104 1.00 0.25 C ATOM 1165 C ASP B 48 -7.777 6.477 -1.480 1.00 0.25 C ATOM 1166 O ASP B 48 -7.027 7.410 -1.776 1.00 0.30 O ATOM 1167 CB ASP B 48 -7.634 5.411 0.769 1.00 0.25 C ATOM 1168 CG ASP B 48 -7.775 5.682 2.255 1.00 0.29 C ATOM 1169 OD1 ASP B 48 -8.667 6.459 2.650 1.00 0.93 O ATOM 1170 OD2 ASP B 48 -6.981 5.121 3.039 1.00 0.74 O ATOM 0 H ASP B 48 -10.001 5.024 0.108 1.00 0.24 H new ATOM 0 HA ASP B 48 -8.399 7.373 0.364 1.00 0.25 H new ATOM 0 HB2 ASP B 48 -7.971 4.396 0.559 1.00 0.25 H new ATOM 0 HB3 ASP B 48 -6.580 5.459 0.497 1.00 0.25 H new ATOM 1175 N LYS B 49 -8.090 5.498 -2.323 1.00 0.22 N ATOM 1176 CA LYS B 49 -7.613 5.486 -3.697 1.00 0.27 C ATOM 1177 C LYS B 49 -8.171 6.692 -4.447 1.00 0.33 C ATOM 1178 O LYS B 49 -7.525 7.239 -5.340 1.00 0.44 O ATOM 1179 CB LYS B 49 -8.027 4.185 -4.400 1.00 0.31 C ATOM 1180 CG LYS B 49 -7.018 3.695 -5.433 1.00 0.58 C ATOM 1181 CD LYS B 49 -6.986 4.581 -6.666 1.00 0.92 C ATOM 1182 CE LYS B 49 -5.657 4.478 -7.391 1.00 1.45 C ATOM 1183 NZ LYS B 49 -5.369 3.099 -7.863 1.00 2.10 N ATOM 0 H LYS B 49 -8.675 4.700 -2.075 1.00 0.22 H new ATOM 0 HA LYS B 49 -6.524 5.541 -3.692 1.00 0.27 H new ATOM 0 HB2 LYS B 49 -8.171 3.408 -3.650 1.00 0.31 H new ATOM 0 HB3 LYS B 49 -8.989 4.338 -4.890 1.00 0.31 H new ATOM 0 HG2 LYS B 49 -6.026 3.664 -4.983 1.00 0.58 H new ATOM 0 HG3 LYS B 49 -7.267 2.675 -5.726 1.00 0.58 H new ATOM 0 HD2 LYS B 49 -7.793 4.296 -7.341 1.00 0.92 H new ATOM 0 HD3 LYS B 49 -7.164 5.616 -6.376 1.00 0.92 H new ATOM 0 HE2 LYS B 49 -5.659 5.157 -8.244 1.00 1.45 H new ATOM 0 HE3 LYS B 49 -4.858 4.805 -6.725 1.00 1.45 H new ATOM 0 HZ1 LYS B 49 -4.372 3.032 -8.150 1.00 2.10 H new ATOM 0 HZ2 LYS B 49 -5.555 2.423 -7.095 1.00 2.10 H new ATOM 0 HZ3 LYS B 49 -5.979 2.876 -8.675 1.00 2.10 H new ATOM 1197 N LYS B 50 -9.353 7.140 -4.047 1.00 0.30 N ATOM 1198 CA LYS B 50 -9.995 8.260 -4.713 1.00 0.37 C ATOM 1199 C LYS B 50 -9.430 9.567 -4.185 1.00 0.39 C ATOM 1200 O LYS B 50 -9.264 10.525 -4.935 1.00 0.44 O ATOM 1201 CB LYS B 50 -11.513 8.218 -4.532 1.00 0.42 C ATOM 1202 CG LYS B 50 -12.194 7.103 -5.314 1.00 1.14 C ATOM 1203 CD LYS B 50 -11.951 7.238 -6.811 1.00 1.67 C ATOM 1204 CE LYS B 50 -12.636 6.128 -7.590 1.00 2.35 C ATOM 1205 NZ LYS B 50 -12.393 6.246 -9.051 1.00 3.05 N ATOM 0 H LYS B 50 -9.883 6.747 -3.269 1.00 0.30 H new ATOM 0 HA LYS B 50 -9.789 8.188 -5.781 1.00 0.37 H new ATOM 0 HB2 LYS B 50 -11.740 8.097 -3.473 1.00 0.42 H new ATOM 0 HB3 LYS B 50 -11.933 9.175 -4.841 1.00 0.42 H new ATOM 0 HG2 LYS B 50 -11.823 6.138 -4.970 1.00 1.14 H new ATOM 0 HG3 LYS B 50 -13.266 7.121 -5.116 1.00 1.14 H new ATOM 0 HD2 LYS B 50 -12.319 8.205 -7.154 1.00 1.67 H new ATOM 0 HD3 LYS B 50 -10.880 7.216 -7.010 1.00 1.67 H new ATOM 0 HE2 LYS B 50 -12.275 5.161 -7.239 1.00 2.35 H new ATOM 0 HE3 LYS B 50 -13.708 6.157 -7.397 1.00 2.35 H new ATOM 0 HZ1 LYS B 50 -12.877 5.471 -9.547 1.00 3.05 H new ATOM 0 HZ2 LYS B 50 -12.760 7.157 -9.392 1.00 3.05 H new ATOM 0 HZ3 LYS B 50 -11.371 6.193 -9.238 1.00 3.05 H new ATOM 1219 N LEU B 51 -9.144 9.604 -2.888 1.00 0.38 N ATOM 1220 CA LEU B 51 -8.459 10.738 -2.287 1.00 0.44 C ATOM 1221 C LEU B 51 -7.103 10.971 -2.938 1.00 0.43 C ATOM 1222 O LEU B 51 -6.751 12.108 -3.246 1.00 0.47 O ATOM 1223 CB LEU B 51 -8.302 10.531 -0.780 1.00 0.48 C ATOM 1224 CG LEU B 51 -9.540 10.882 0.048 1.00 0.70 C ATOM 1225 CD1 LEU B 51 -9.442 10.276 1.436 1.00 1.10 C ATOM 1226 CD2 LEU B 51 -9.696 12.392 0.145 1.00 1.22 C ATOM 0 H LEU B 51 -9.378 8.858 -2.233 1.00 0.38 H new ATOM 0 HA LEU B 51 -9.068 11.626 -2.456 1.00 0.44 H new ATOM 0 HB2 LEU B 51 -8.042 9.489 -0.596 1.00 0.48 H new ATOM 0 HB3 LEU B 51 -7.465 11.135 -0.430 1.00 0.48 H new ATOM 0 HG LEU B 51 -10.417 10.468 -0.449 1.00 0.70 H new ATOM 0 HD11 LEU B 51 -10.331 10.536 2.010 1.00 1.10 H new ATOM 0 HD12 LEU B 51 -9.367 9.192 1.355 1.00 1.10 H new ATOM 0 HD13 LEU B 51 -8.557 10.664 1.941 1.00 1.10 H new ATOM 0 HD21 LEU B 51 -10.580 12.629 0.736 1.00 1.22 H new ATOM 0 HD22 LEU B 51 -8.814 12.819 0.623 1.00 1.22 H new ATOM 0 HD23 LEU B 51 -9.805 12.811 -0.855 1.00 1.22 H new ATOM 1238 N MET B 52 -6.344 9.901 -3.175 1.00 0.39 N ATOM 1239 CA MET B 52 -5.058 10.027 -3.848 1.00 0.37 C ATOM 1240 C MET B 52 -5.243 10.447 -5.301 1.00 0.41 C ATOM 1241 O MET B 52 -4.407 11.145 -5.870 1.00 0.47 O ATOM 1242 CB MET B 52 -4.275 8.717 -3.776 1.00 0.33 C ATOM 1243 CG MET B 52 -3.680 8.436 -2.416 1.00 1.29 C ATOM 1244 SD MET B 52 -2.621 6.981 -2.419 1.00 1.25 S ATOM 1245 CE MET B 52 -3.814 5.706 -2.796 1.00 0.32 C ATOM 0 H MET B 52 -6.597 8.948 -2.913 1.00 0.39 H new ATOM 0 HA MET B 52 -4.489 10.801 -3.333 1.00 0.37 H new ATOM 0 HB2 MET B 52 -4.935 7.894 -4.050 1.00 0.33 H new ATOM 0 HB3 MET B 52 -3.474 8.742 -4.515 1.00 0.33 H new ATOM 0 HG2 MET B 52 -3.103 9.301 -2.089 1.00 1.29 H new ATOM 0 HG3 MET B 52 -4.483 8.296 -1.693 1.00 1.29 H new ATOM 0 HE1 MET B 52 -3.310 4.741 -2.851 1.00 0.32 H new ATOM 0 HE2 MET B 52 -4.573 5.675 -2.014 1.00 0.32 H new ATOM 0 HE3 MET B 52 -4.288 5.923 -3.753 1.00 0.32 H new ATOM 1255 N SER B 53 -6.354 10.036 -5.892 1.00 0.41 N ATOM 1256 CA SER B 53 -6.657 10.383 -7.271 1.00 0.47 C ATOM 1257 C SER B 53 -7.175 11.820 -7.355 1.00 0.51 C ATOM 1258 O SER B 53 -7.181 12.434 -8.423 1.00 0.62 O ATOM 1259 CB SER B 53 -7.686 9.403 -7.841 1.00 0.52 C ATOM 1260 OG SER B 53 -7.816 9.542 -9.247 1.00 1.15 O ATOM 0 H SER B 53 -7.062 9.460 -5.437 1.00 0.41 H new ATOM 0 HA SER B 53 -5.745 10.314 -7.864 1.00 0.47 H new ATOM 0 HB2 SER B 53 -7.389 8.382 -7.602 1.00 0.52 H new ATOM 0 HB3 SER B 53 -8.653 9.573 -7.367 1.00 0.52 H new ATOM 0 HG SER B 53 -8.479 8.901 -9.579 1.00 1.15 H new ATOM 1266 N SER B 54 -7.593 12.351 -6.213 1.00 0.49 N ATOM 1267 CA SER B 54 -8.107 13.709 -6.130 1.00 0.54 C ATOM 1268 C SER B 54 -6.952 14.698 -5.970 1.00 0.53 C ATOM 1269 O SER B 54 -7.129 15.913 -6.077 1.00 0.53 O ATOM 1270 CB SER B 54 -9.083 13.816 -4.949 1.00 0.60 C ATOM 1271 OG SER B 54 -9.786 15.046 -4.949 1.00 1.30 O ATOM 0 H SER B 54 -7.585 11.854 -5.323 1.00 0.49 H new ATOM 0 HA SER B 54 -8.640 13.953 -7.049 1.00 0.54 H new ATOM 0 HB2 SER B 54 -9.795 12.992 -4.992 1.00 0.60 H new ATOM 0 HB3 SER B 54 -8.533 13.713 -4.014 1.00 0.60 H new ATOM 0 HG SER B 54 -9.201 15.757 -5.285 1.00 1.30 H new ATOM 1277 N LEU B 55 -5.764 14.161 -5.738 1.00 0.55 N ATOM 1278 CA LEU B 55 -4.575 14.976 -5.565 1.00 0.57 C ATOM 1279 C LEU B 55 -3.800 15.033 -6.878 1.00 0.65 C ATOM 1280 O LEU B 55 -3.331 14.011 -7.376 1.00 0.65 O ATOM 1281 CB LEU B 55 -3.707 14.411 -4.438 1.00 0.51 C ATOM 1282 CG LEU B 55 -4.404 14.306 -3.075 1.00 0.53 C ATOM 1283 CD1 LEU B 55 -3.495 13.646 -2.049 1.00 0.56 C ATOM 1284 CD2 LEU B 55 -4.844 15.680 -2.588 1.00 0.65 C ATOM 0 H LEU B 55 -5.599 13.157 -5.665 1.00 0.55 H new ATOM 0 HA LEU B 55 -4.866 15.990 -5.289 1.00 0.57 H new ATOM 0 HB2 LEU B 55 -3.360 13.420 -4.729 1.00 0.51 H new ATOM 0 HB3 LEU B 55 -2.823 15.040 -4.330 1.00 0.51 H new ATOM 0 HG LEU B 55 -5.290 13.683 -3.198 1.00 0.53 H new ATOM 0 HD11 LEU B 55 -4.012 13.583 -1.092 1.00 0.56 H new ATOM 0 HD12 LEU B 55 -3.233 12.643 -2.386 1.00 0.56 H new ATOM 0 HD13 LEU B 55 -2.587 14.238 -1.933 1.00 0.56 H new ATOM 0 HD21 LEU B 55 -5.336 15.583 -1.620 1.00 0.65 H new ATOM 0 HD22 LEU B 55 -3.973 16.327 -2.489 1.00 0.65 H new ATOM 0 HD23 LEU B 55 -5.539 16.115 -3.306 1.00 0.65 H new ATOM 1296 N PRO B 56 -3.658 16.230 -7.461 1.00 0.81 N ATOM 1297 CA PRO B 56 -3.049 16.398 -8.782 1.00 0.95 C ATOM 1298 C PRO B 56 -1.526 16.369 -8.733 1.00 0.88 C ATOM 1299 O PRO B 56 -0.854 16.408 -9.763 1.00 1.19 O ATOM 1300 CB PRO B 56 -3.549 17.772 -9.212 1.00 1.14 C ATOM 1301 CG PRO B 56 -3.713 18.531 -7.939 1.00 1.26 C ATOM 1302 CD PRO B 56 -4.068 17.521 -6.876 1.00 0.98 C ATOM 0 HA PRO B 56 -3.317 15.593 -9.466 1.00 0.95 H new ATOM 0 HB2 PRO B 56 -2.837 18.262 -9.876 1.00 1.14 H new ATOM 0 HB3 PRO B 56 -4.492 17.699 -9.753 1.00 1.14 H new ATOM 0 HG2 PRO B 56 -2.794 19.058 -7.681 1.00 1.26 H new ATOM 0 HG3 PRO B 56 -4.496 19.284 -8.035 1.00 1.26 H new ATOM 0 HD2 PRO B 56 -3.542 17.722 -5.943 1.00 0.98 H new ATOM 0 HD3 PRO B 56 -5.134 17.537 -6.650 1.00 0.98 H new ATOM 1310 N ASN B 57 -0.990 16.302 -7.528 1.00 0.63 N ATOM 1311 CA ASN B 57 0.448 16.223 -7.327 1.00 0.62 C ATOM 1312 C ASN B 57 0.827 14.835 -6.831 1.00 0.57 C ATOM 1313 O ASN B 57 1.974 14.580 -6.464 1.00 0.59 O ATOM 1314 CB ASN B 57 0.911 17.298 -6.332 1.00 0.68 C ATOM 1315 CG ASN B 57 0.053 17.359 -5.077 1.00 1.32 C ATOM 1316 OD1 ASN B 57 -0.512 16.357 -4.638 1.00 2.22 O ATOM 1317 ND2 ASN B 57 -0.061 18.545 -4.498 1.00 1.73 N ATOM 0 H ASN B 57 -1.534 16.301 -6.665 1.00 0.63 H new ATOM 0 HA ASN B 57 0.948 16.403 -8.279 1.00 0.62 H new ATOM 0 HB2 ASN B 57 1.945 17.101 -6.049 1.00 0.68 H new ATOM 0 HB3 ASN B 57 0.895 18.271 -6.824 1.00 0.68 H new ATOM 0 HD21 ASN B 57 -0.632 18.650 -3.659 1.00 1.73 H new ATOM 0 HD22 ASN B 57 0.422 19.353 -4.891 1.00 1.73 H new ATOM 1324 N PHE B 58 -0.159 13.941 -6.856 1.00 0.62 N ATOM 1325 CA PHE B 58 -0.021 12.588 -6.329 1.00 0.70 C ATOM 1326 C PHE B 58 1.135 11.835 -6.971 1.00 0.90 C ATOM 1327 O PHE B 58 1.993 11.289 -6.273 1.00 1.77 O ATOM 1328 CB PHE B 58 -1.322 11.819 -6.550 1.00 0.69 C ATOM 1329 CG PHE B 58 -1.236 10.370 -6.181 1.00 0.65 C ATOM 1330 CD1 PHE B 58 -0.986 9.994 -4.875 1.00 0.90 C ATOM 1331 CD2 PHE B 58 -1.409 9.388 -7.139 1.00 1.13 C ATOM 1332 CE1 PHE B 58 -0.909 8.660 -4.532 1.00 0.90 C ATOM 1333 CE2 PHE B 58 -1.333 8.053 -6.801 1.00 1.15 C ATOM 1334 CZ PHE B 58 -1.083 7.691 -5.494 1.00 0.69 C ATOM 0 H PHE B 58 -1.081 14.138 -7.245 1.00 0.62 H new ATOM 0 HA PHE B 58 0.193 12.669 -5.263 1.00 0.70 H new ATOM 0 HB2 PHE B 58 -2.114 12.287 -5.965 1.00 0.69 H new ATOM 0 HB3 PHE B 58 -1.609 11.901 -7.598 1.00 0.69 H new ATOM 0 HD1 PHE B 58 -0.850 10.751 -4.117 1.00 0.90 H new ATOM 0 HD2 PHE B 58 -1.606 9.669 -8.163 1.00 1.13 H new ATOM 0 HE1 PHE B 58 -0.712 8.376 -3.509 1.00 0.90 H new ATOM 0 HE2 PHE B 58 -1.469 7.294 -7.557 1.00 1.15 H new ATOM 0 HZ PHE B 58 -1.024 6.647 -5.225 1.00 0.69 H new ATOM 1344 N SER B 59 1.146 11.800 -8.297 1.00 0.91 N ATOM 1345 CA SER B 59 2.159 11.073 -9.048 1.00 1.02 C ATOM 1346 C SER B 59 3.575 11.470 -8.634 1.00 1.10 C ATOM 1347 O SER B 59 4.488 10.646 -8.674 1.00 1.84 O ATOM 1348 CB SER B 59 1.961 11.314 -10.544 1.00 1.21 C ATOM 1349 OG SER B 59 0.612 11.078 -10.916 1.00 1.84 O ATOM 0 H SER B 59 0.455 12.273 -8.880 1.00 0.91 H new ATOM 0 HA SER B 59 2.042 10.012 -8.826 1.00 1.02 H new ATOM 0 HB2 SER B 59 2.238 12.339 -10.792 1.00 1.21 H new ATOM 0 HB3 SER B 59 2.620 10.659 -11.113 1.00 1.21 H new ATOM 0 HG SER B 59 0.505 11.239 -11.877 1.00 1.84 H new ATOM 1355 N GLY B 60 3.754 12.722 -8.221 1.00 0.91 N ATOM 1356 CA GLY B 60 5.069 13.188 -7.841 1.00 0.88 C ATOM 1357 C GLY B 60 5.376 12.994 -6.367 1.00 0.67 C ATOM 1358 O GLY B 60 6.545 12.923 -5.985 1.00 0.74 O ATOM 0 H GLY B 60 3.012 13.418 -8.144 1.00 0.91 H new ATOM 0 HA2 GLY B 60 5.818 12.661 -8.433 1.00 0.88 H new ATOM 0 HA3 GLY B 60 5.156 14.247 -8.086 1.00 0.88 H new ATOM 1362 N ILE B 61 4.347 12.903 -5.528 1.00 0.51 N ATOM 1363 CA ILE B 61 4.574 12.761 -4.094 1.00 0.54 C ATOM 1364 C ILE B 61 4.684 11.303 -3.668 1.00 0.73 C ATOM 1365 O ILE B 61 5.434 10.996 -2.748 1.00 1.81 O ATOM 1366 CB ILE B 61 3.510 13.471 -3.217 1.00 0.58 C ATOM 1367 CG1 ILE B 61 2.092 13.144 -3.691 1.00 0.64 C ATOM 1368 CG2 ILE B 61 3.745 14.973 -3.203 1.00 0.79 C ATOM 1369 CD1 ILE B 61 1.004 13.822 -2.880 1.00 0.79 C ATOM 0 H ILE B 61 3.367 12.924 -5.809 1.00 0.51 H new ATOM 0 HA ILE B 61 5.528 13.260 -3.923 1.00 0.54 H new ATOM 0 HB ILE B 61 3.611 13.098 -2.198 1.00 0.58 H new ATOM 0 HG12 ILE B 61 1.991 13.439 -4.735 1.00 0.64 H new ATOM 0 HG13 ILE B 61 1.945 12.065 -3.649 1.00 0.64 H new ATOM 0 HG21 ILE B 61 2.989 15.454 -2.583 1.00 0.79 H new ATOM 0 HG22 ILE B 61 4.734 15.183 -2.797 1.00 0.79 H new ATOM 0 HG23 ILE B 61 3.681 15.361 -4.220 1.00 0.79 H new ATOM 0 HD11 ILE B 61 0.028 13.542 -3.275 1.00 0.79 H new ATOM 0 HD12 ILE B 61 1.077 13.508 -1.839 1.00 0.79 H new ATOM 0 HD13 ILE B 61 1.124 14.904 -2.942 1.00 0.79 H new ATOM 1381 N PHE B 62 3.973 10.388 -4.326 1.00 0.58 N ATOM 1382 CA PHE B 62 3.997 8.989 -3.908 1.00 0.50 C ATOM 1383 C PHE B 62 4.181 8.085 -5.118 1.00 0.51 C ATOM 1384 O PHE B 62 3.441 8.183 -6.097 1.00 0.76 O ATOM 1385 CB PHE B 62 2.697 8.604 -3.197 1.00 0.50 C ATOM 1386 CG PHE B 62 2.301 9.525 -2.083 1.00 0.48 C ATOM 1387 CD1 PHE B 62 3.188 9.842 -1.070 1.00 0.48 C ATOM 1388 CD2 PHE B 62 1.035 10.073 -2.054 1.00 0.64 C ATOM 1389 CE1 PHE B 62 2.816 10.691 -0.053 1.00 0.53 C ATOM 1390 CE2 PHE B 62 0.658 10.921 -1.039 1.00 0.68 C ATOM 1391 CZ PHE B 62 1.550 11.229 -0.037 1.00 0.59 C ATOM 0 H PHE B 62 3.384 10.585 -5.135 1.00 0.58 H new ATOM 0 HA PHE B 62 4.831 8.863 -3.217 1.00 0.50 H new ATOM 0 HB2 PHE B 62 1.891 8.575 -3.931 1.00 0.50 H new ATOM 0 HB3 PHE B 62 2.801 7.595 -2.798 1.00 0.50 H new ATOM 0 HD1 PHE B 62 4.182 9.419 -1.077 1.00 0.48 H new ATOM 0 HD2 PHE B 62 0.332 9.833 -2.838 1.00 0.64 H new ATOM 0 HE1 PHE B 62 3.517 10.935 0.732 1.00 0.53 H new ATOM 0 HE2 PHE B 62 -0.336 11.344 -1.028 1.00 0.68 H new ATOM 0 HZ PHE B 62 1.256 11.893 0.762 1.00 0.59 H new ATOM 1401 N THR B 63 5.170 7.212 -5.051 1.00 0.35 N ATOM 1402 CA THR B 63 5.459 6.307 -6.149 1.00 0.38 C ATOM 1403 C THR B 63 4.718 4.976 -5.987 1.00 0.30 C ATOM 1404 O THR B 63 3.993 4.542 -6.878 1.00 0.38 O ATOM 1405 CB THR B 63 6.973 6.041 -6.248 1.00 0.49 C ATOM 1406 OG1 THR B 63 7.686 7.284 -6.284 1.00 0.79 O ATOM 1407 CG2 THR B 63 7.304 5.231 -7.492 1.00 0.66 C ATOM 0 H THR B 63 5.788 7.110 -4.246 1.00 0.35 H new ATOM 0 HA THR B 63 5.114 6.787 -7.065 1.00 0.38 H new ATOM 0 HB THR B 63 7.275 5.469 -5.370 1.00 0.49 H new ATOM 0 HG1 THR B 63 8.648 7.108 -6.345 1.00 0.79 H new ATOM 0 HG21 THR B 63 8.379 5.057 -7.538 1.00 0.66 H new ATOM 0 HG22 THR B 63 6.783 4.274 -7.452 1.00 0.66 H new ATOM 0 HG23 THR B 63 6.987 5.780 -8.379 1.00 0.66 H new ATOM 1415 N HIS B 64 4.893 4.344 -4.833 1.00 0.26 N ATOM 1416 CA HIS B 64 4.400 2.985 -4.612 1.00 0.25 C ATOM 1417 C HIS B 64 3.001 2.956 -4.017 1.00 0.25 C ATOM 1418 O HIS B 64 2.297 1.955 -4.142 1.00 0.54 O ATOM 1419 CB HIS B 64 5.362 2.205 -3.717 1.00 0.34 C ATOM 1420 CG HIS B 64 6.564 1.699 -4.447 1.00 0.43 C ATOM 1421 ND1 HIS B 64 7.066 0.429 -4.280 1.00 0.86 N ATOM 1422 CD2 HIS B 64 7.355 2.295 -5.365 1.00 0.71 C ATOM 1423 CE1 HIS B 64 8.112 0.270 -5.067 1.00 0.83 C ATOM 1424 NE2 HIS B 64 8.310 1.385 -5.739 1.00 0.68 N ATOM 0 H HIS B 64 5.374 4.751 -4.031 1.00 0.26 H new ATOM 0 HA HIS B 64 4.345 2.511 -5.592 1.00 0.25 H new ATOM 0 HB2 HIS B 64 5.686 2.846 -2.897 1.00 0.34 H new ATOM 0 HB3 HIS B 64 4.833 1.362 -3.273 1.00 0.34 H new ATOM 0 HD1 HIS B 64 6.689 -0.277 -3.648 1.00 0.86 H new ATOM 0 HD2 HIS B 64 7.254 3.304 -5.737 1.00 0.71 H new ATOM 0 HE1 HIS B 64 8.708 -0.627 -5.147 1.00 0.83 H new ATOM 1433 N LEU B 65 2.603 4.046 -3.379 1.00 0.32 N ATOM 1434 CA LEU B 65 1.304 4.112 -2.706 1.00 0.22 C ATOM 1435 C LEU B 65 0.166 3.886 -3.706 1.00 0.21 C ATOM 1436 O LEU B 65 -0.875 3.323 -3.367 1.00 0.24 O ATOM 1437 CB LEU B 65 1.139 5.462 -1.982 1.00 0.29 C ATOM 1438 CG LEU B 65 1.960 5.643 -0.686 1.00 0.36 C ATOM 1439 CD1 LEU B 65 1.542 4.637 0.367 1.00 0.84 C ATOM 1440 CD2 LEU B 65 3.453 5.529 -0.948 1.00 0.99 C ATOM 0 H LEU B 65 3.157 4.900 -3.310 1.00 0.32 H new ATOM 0 HA LEU B 65 1.261 3.318 -1.960 1.00 0.22 H new ATOM 0 HB2 LEU B 65 1.411 6.258 -2.675 1.00 0.29 H new ATOM 0 HB3 LEU B 65 0.084 5.596 -1.741 1.00 0.29 H new ATOM 0 HG LEU B 65 1.755 6.647 -0.315 1.00 0.36 H new ATOM 0 HD11 LEU B 65 2.136 4.786 1.269 1.00 0.84 H new ATOM 0 HD12 LEU B 65 0.486 4.773 0.601 1.00 0.84 H new ATOM 0 HD13 LEU B 65 1.703 3.627 -0.010 1.00 0.84 H new ATOM 0 HD21 LEU B 65 3.998 5.662 -0.013 1.00 0.99 H new ATOM 0 HD22 LEU B 65 3.676 4.545 -1.361 1.00 0.99 H new ATOM 0 HD23 LEU B 65 3.758 6.298 -1.658 1.00 0.99 H new ATOM 1452 N GLU B 66 0.393 4.314 -4.944 1.00 0.31 N ATOM 1453 CA GLU B 66 -0.549 4.098 -6.039 1.00 0.40 C ATOM 1454 C GLU B 66 -0.810 2.606 -6.269 1.00 0.38 C ATOM 1455 O GLU B 66 -1.957 2.151 -6.219 1.00 0.38 O ATOM 1456 CB GLU B 66 0.007 4.760 -7.312 1.00 0.53 C ATOM 1457 CG GLU B 66 -0.660 4.334 -8.615 1.00 0.88 C ATOM 1458 CD GLU B 66 -2.153 4.594 -8.661 1.00 1.12 C ATOM 1459 OE1 GLU B 66 -2.924 3.613 -8.702 1.00 1.75 O ATOM 1460 OE2 GLU B 66 -2.566 5.773 -8.685 1.00 1.75 O ATOM 0 H GLU B 66 1.235 4.821 -5.217 1.00 0.31 H new ATOM 0 HA GLU B 66 -1.506 4.551 -5.778 1.00 0.40 H new ATOM 0 HB2 GLU B 66 -0.089 5.841 -7.211 1.00 0.53 H new ATOM 0 HB3 GLU B 66 1.072 4.540 -7.380 1.00 0.53 H new ATOM 0 HG2 GLU B 66 -0.185 4.861 -9.443 1.00 0.88 H new ATOM 0 HG3 GLU B 66 -0.483 3.270 -8.770 1.00 0.88 H new ATOM 1467 N ARG B 67 0.252 1.837 -6.481 1.00 0.42 N ATOM 1468 CA ARG B 67 0.103 0.438 -6.863 1.00 0.44 C ATOM 1469 C ARG B 67 -0.275 -0.434 -5.668 1.00 0.39 C ATOM 1470 O ARG B 67 -0.901 -1.477 -5.834 1.00 0.40 O ATOM 1471 CB ARG B 67 1.380 -0.084 -7.532 1.00 0.54 C ATOM 1472 CG ARG B 67 1.307 -1.555 -7.922 1.00 0.74 C ATOM 1473 CD ARG B 67 2.323 -1.908 -8.999 1.00 0.86 C ATOM 1474 NE ARG B 67 3.697 -1.600 -8.605 1.00 1.08 N ATOM 1475 CZ ARG B 67 4.759 -1.816 -9.384 1.00 1.45 C ATOM 1476 NH1 ARG B 67 4.607 -2.348 -10.590 1.00 1.71 N ATOM 1477 NH2 ARG B 67 5.971 -1.493 -8.954 1.00 2.07 N ATOM 0 H ARG B 67 1.217 2.155 -6.396 1.00 0.42 H new ATOM 0 HA ARG B 67 -0.712 0.381 -7.584 1.00 0.44 H new ATOM 0 HB2 ARG B 67 1.582 0.510 -8.423 1.00 0.54 H new ATOM 0 HB3 ARG B 67 2.221 0.062 -6.854 1.00 0.54 H new ATOM 0 HG2 ARG B 67 1.482 -2.173 -7.041 1.00 0.74 H new ATOM 0 HG3 ARG B 67 0.304 -1.786 -8.280 1.00 0.74 H new ATOM 0 HD2 ARG B 67 2.246 -2.970 -9.231 1.00 0.86 H new ATOM 0 HD3 ARG B 67 2.081 -1.364 -9.912 1.00 0.86 H new ATOM 0 HE ARG B 67 3.853 -1.197 -7.681 1.00 1.08 H new ATOM 0 HH11 ARG B 67 3.676 -2.594 -10.925 1.00 1.71 H new ATOM 0 HH12 ARG B 67 5.422 -2.511 -11.182 1.00 1.71 H new ATOM 0 HH21 ARG B 67 6.091 -1.080 -8.029 1.00 2.07 H new ATOM 0 HH22 ARG B 67 6.784 -1.657 -9.548 1.00 2.07 H new ATOM 1491 N LEU B 68 0.077 -0.005 -4.464 1.00 0.36 N ATOM 1492 CA LEU B 68 -0.245 -0.789 -3.275 1.00 0.34 C ATOM 1493 C LEU B 68 -1.746 -0.797 -2.995 1.00 0.31 C ATOM 1494 O LEU B 68 -2.246 -1.691 -2.323 1.00 0.41 O ATOM 1495 CB LEU B 68 0.541 -0.306 -2.055 1.00 0.33 C ATOM 1496 CG LEU B 68 2.015 -0.721 -2.039 1.00 0.41 C ATOM 1497 CD1 LEU B 68 2.654 -0.360 -0.711 1.00 0.37 C ATOM 1498 CD2 LEU B 68 2.165 -2.212 -2.309 1.00 0.62 C ATOM 0 H LEU B 68 0.577 0.866 -4.283 1.00 0.36 H new ATOM 0 HA LEU B 68 0.057 -1.817 -3.477 1.00 0.34 H new ATOM 0 HB2 LEU B 68 0.483 0.782 -2.010 1.00 0.33 H new ATOM 0 HB3 LEU B 68 0.060 -0.689 -1.155 1.00 0.33 H new ATOM 0 HG LEU B 68 2.527 -0.178 -2.833 1.00 0.41 H new ATOM 0 HD11 LEU B 68 3.701 -0.662 -0.717 1.00 0.37 H new ATOM 0 HD12 LEU B 68 2.588 0.717 -0.556 1.00 0.37 H new ATOM 0 HD13 LEU B 68 2.133 -0.875 0.096 1.00 0.37 H new ATOM 0 HD21 LEU B 68 3.221 -2.480 -2.292 1.00 0.62 H new ATOM 0 HD22 LEU B 68 1.635 -2.776 -1.541 1.00 0.62 H new ATOM 0 HD23 LEU B 68 1.746 -2.449 -3.287 1.00 0.62 H new ATOM 1510 N LEU B 69 -2.470 0.172 -3.542 1.00 0.27 N ATOM 1511 CA LEU B 69 -3.929 0.143 -3.467 1.00 0.24 C ATOM 1512 C LEU B 69 -4.457 -0.692 -4.625 1.00 0.25 C ATOM 1513 O LEU B 69 -5.405 -1.476 -4.495 1.00 0.26 O ATOM 1514 CB LEU B 69 -4.542 1.554 -3.524 1.00 0.25 C ATOM 1515 CG LEU B 69 -4.667 2.306 -2.188 1.00 0.24 C ATOM 1516 CD1 LEU B 69 -6.106 2.688 -1.923 1.00 0.26 C ATOM 1517 CD2 LEU B 69 -4.133 1.480 -1.034 1.00 0.30 C ATOM 0 H LEU B 69 -2.081 0.976 -4.035 1.00 0.27 H new ATOM 0 HA LEU B 69 -4.215 -0.294 -2.510 1.00 0.24 H new ATOM 0 HB2 LEU B 69 -3.939 2.160 -4.201 1.00 0.25 H new ATOM 0 HB3 LEU B 69 -5.536 1.476 -3.965 1.00 0.25 H new ATOM 0 HG LEU B 69 -4.066 3.212 -2.267 1.00 0.24 H new ATOM 0 HD11 LEU B 69 -6.173 3.219 -0.973 1.00 0.26 H new ATOM 0 HD12 LEU B 69 -6.465 3.333 -2.725 1.00 0.26 H new ATOM 0 HD13 LEU B 69 -6.719 1.788 -1.879 1.00 0.26 H new ATOM 0 HD21 LEU B 69 -4.237 2.042 -0.106 1.00 0.30 H new ATOM 0 HD22 LEU B 69 -4.697 0.550 -0.960 1.00 0.30 H new ATOM 0 HD23 LEU B 69 -3.081 1.253 -1.205 1.00 0.30 H new ATOM 1529 N ASP B 70 -3.758 -0.600 -5.740 1.00 0.30 N ATOM 1530 CA ASP B 70 -4.219 -1.225 -6.963 1.00 0.35 C ATOM 1531 C ASP B 70 -4.080 -2.728 -6.824 1.00 0.38 C ATOM 1532 O ASP B 70 -4.864 -3.496 -7.376 1.00 0.43 O ATOM 1533 CB ASP B 70 -3.434 -0.703 -8.167 1.00 0.43 C ATOM 1534 CG ASP B 70 -3.907 -1.289 -9.482 1.00 0.91 C ATOM 1535 OD1 ASP B 70 -3.123 -2.009 -10.133 1.00 1.62 O ATOM 1536 OD2 ASP B 70 -5.061 -1.017 -9.878 1.00 1.56 O ATOM 0 H ASP B 70 -2.873 -0.101 -5.824 1.00 0.30 H new ATOM 0 HA ASP B 70 -5.267 -0.977 -7.132 1.00 0.35 H new ATOM 0 HB2 ASP B 70 -3.521 0.383 -8.207 1.00 0.43 H new ATOM 0 HB3 ASP B 70 -2.377 -0.933 -8.032 1.00 0.43 H new ATOM 1541 N GLU B 71 -3.090 -3.143 -6.040 1.00 0.42 N ATOM 1542 CA GLU B 71 -2.922 -4.535 -5.701 1.00 0.50 C ATOM 1543 C GLU B 71 -3.817 -4.916 -4.529 1.00 0.46 C ATOM 1544 O GLU B 71 -4.580 -5.854 -4.642 1.00 0.49 O ATOM 1545 CB GLU B 71 -1.461 -4.840 -5.369 1.00 0.61 C ATOM 1546 CG GLU B 71 -0.794 -5.768 -6.368 1.00 0.94 C ATOM 1547 CD GLU B 71 -1.539 -7.080 -6.531 1.00 1.47 C ATOM 1548 OE1 GLU B 71 -2.366 -7.190 -7.458 1.00 2.14 O ATOM 1549 OE2 GLU B 71 -1.304 -8.012 -5.732 1.00 2.18 O ATOM 0 H GLU B 71 -2.392 -2.523 -5.629 1.00 0.42 H new ATOM 0 HA GLU B 71 -3.212 -5.129 -6.568 1.00 0.50 H new ATOM 0 HB2 GLU B 71 -0.904 -3.904 -5.326 1.00 0.61 H new ATOM 0 HB3 GLU B 71 -1.408 -5.289 -4.377 1.00 0.61 H new ATOM 0 HG2 GLU B 71 -0.728 -5.269 -7.335 1.00 0.94 H new ATOM 0 HG3 GLU B 71 0.227 -5.971 -6.044 1.00 0.94 H new ATOM 1556 N GLU B 72 -3.762 -4.161 -3.424 1.00 0.43 N ATOM 1557 CA GLU B 72 -4.500 -4.535 -2.206 1.00 0.45 C ATOM 1558 C GLU B 72 -6.005 -4.494 -2.443 1.00 0.42 C ATOM 1559 O GLU B 72 -6.731 -5.408 -2.063 1.00 0.47 O ATOM 1560 CB GLU B 72 -4.158 -3.615 -1.035 1.00 0.46 C ATOM 1561 CG GLU B 72 -4.906 -3.971 0.242 1.00 0.57 C ATOM 1562 CD GLU B 72 -4.357 -5.207 0.926 1.00 0.91 C ATOM 1563 OE1 GLU B 72 -4.165 -6.239 0.246 1.00 1.69 O ATOM 1564 OE2 GLU B 72 -4.131 -5.154 2.152 1.00 1.33 O ATOM 0 H GLU B 72 -3.223 -3.299 -3.346 1.00 0.43 H new ATOM 0 HA GLU B 72 -4.198 -5.552 -1.957 1.00 0.45 H new ATOM 0 HB2 GLU B 72 -3.086 -3.661 -0.846 1.00 0.46 H new ATOM 0 HB3 GLU B 72 -4.389 -2.586 -1.310 1.00 0.46 H new ATOM 0 HG2 GLU B 72 -4.857 -3.129 0.932 1.00 0.57 H new ATOM 0 HG3 GLU B 72 -5.959 -4.130 0.008 1.00 0.57 H new ATOM 1571 N ILE B 73 -6.453 -3.448 -3.122 1.00 0.35 N ATOM 1572 CA ILE B 73 -7.867 -3.281 -3.420 1.00 0.35 C ATOM 1573 C ILE B 73 -8.292 -4.396 -4.339 1.00 0.40 C ATOM 1574 O ILE B 73 -9.422 -4.881 -4.288 1.00 0.45 O ATOM 1575 CB ILE B 73 -8.159 -1.915 -4.073 1.00 0.29 C ATOM 1576 CG1 ILE B 73 -8.108 -0.823 -3.017 1.00 0.27 C ATOM 1577 CG2 ILE B 73 -9.500 -1.905 -4.790 1.00 0.33 C ATOM 1578 CD1 ILE B 73 -8.391 0.554 -3.563 1.00 0.27 C ATOM 0 H ILE B 73 -5.856 -2.701 -3.477 1.00 0.35 H new ATOM 0 HA ILE B 73 -8.430 -3.316 -2.487 1.00 0.35 H new ATOM 0 HB ILE B 73 -7.393 -1.728 -4.825 1.00 0.29 H new ATOM 0 HG12 ILE B 73 -8.832 -1.051 -2.234 1.00 0.27 H new ATOM 0 HG13 ILE B 73 -7.123 -0.825 -2.551 1.00 0.27 H new ATOM 0 HG21 ILE B 73 -9.667 -0.924 -5.236 1.00 0.33 H new ATOM 0 HG22 ILE B 73 -9.500 -2.664 -5.572 1.00 0.33 H new ATOM 0 HG23 ILE B 73 -10.296 -2.119 -4.076 1.00 0.33 H new ATOM 0 HD11 ILE B 73 -8.338 1.284 -2.755 1.00 0.27 H new ATOM 0 HD12 ILE B 73 -7.652 0.802 -4.325 1.00 0.27 H new ATOM 0 HD13 ILE B 73 -9.388 0.573 -4.004 1.00 0.27 H new ATOM 1590 N SER B 74 -7.351 -4.831 -5.153 1.00 0.41 N ATOM 1591 CA SER B 74 -7.594 -5.970 -6.020 1.00 0.49 C ATOM 1592 C SER B 74 -7.680 -7.265 -5.192 1.00 0.54 C ATOM 1593 O SER B 74 -8.629 -8.035 -5.336 1.00 0.60 O ATOM 1594 CB SER B 74 -6.492 -6.077 -7.080 1.00 0.52 C ATOM 1595 OG SER B 74 -6.701 -7.182 -7.941 1.00 1.34 O ATOM 0 H SER B 74 -6.421 -4.420 -5.234 1.00 0.41 H new ATOM 0 HA SER B 74 -8.547 -5.825 -6.529 1.00 0.49 H new ATOM 0 HB2 SER B 74 -6.461 -5.159 -7.667 1.00 0.52 H new ATOM 0 HB3 SER B 74 -5.523 -6.175 -6.590 1.00 0.52 H new ATOM 0 HG SER B 74 -5.982 -7.220 -8.605 1.00 1.34 H new ATOM 1601 N ARG B 75 -6.704 -7.458 -4.297 1.00 0.56 N ATOM 1602 CA ARG B 75 -6.609 -8.664 -3.460 1.00 0.63 C ATOM 1603 C ARG B 75 -7.906 -8.867 -2.707 1.00 0.65 C ATOM 1604 O ARG B 75 -8.519 -9.936 -2.740 1.00 0.72 O ATOM 1605 CB ARG B 75 -5.485 -8.534 -2.424 1.00 0.74 C ATOM 1606 CG ARG B 75 -4.140 -8.122 -2.988 1.00 0.76 C ATOM 1607 CD ARG B 75 -3.482 -9.229 -3.792 1.00 1.26 C ATOM 1608 NE ARG B 75 -2.833 -10.215 -2.931 1.00 1.84 N ATOM 1609 CZ ARG B 75 -1.513 -10.422 -2.898 1.00 2.74 C ATOM 1610 NH1 ARG B 75 -0.695 -9.707 -3.672 1.00 3.06 N ATOM 1611 NH2 ARG B 75 -1.008 -11.339 -2.084 1.00 3.67 N ATOM 0 H ARG B 75 -5.957 -6.784 -4.131 1.00 0.56 H new ATOM 0 HA ARG B 75 -6.402 -9.506 -4.120 1.00 0.63 H new ATOM 0 HB2 ARG B 75 -5.786 -7.804 -1.673 1.00 0.74 H new ATOM 0 HB3 ARG B 75 -5.370 -9.490 -1.912 1.00 0.74 H new ATOM 0 HG2 ARG B 75 -4.269 -7.245 -3.622 1.00 0.76 H new ATOM 0 HG3 ARG B 75 -3.481 -7.830 -2.170 1.00 0.76 H new ATOM 0 HD2 ARG B 75 -4.231 -9.724 -4.410 1.00 1.26 H new ATOM 0 HD3 ARG B 75 -2.745 -8.797 -4.469 1.00 1.26 H new ATOM 0 HE ARG B 75 -3.422 -10.779 -2.319 1.00 1.84 H new ATOM 0 HH11 ARG B 75 -1.076 -8.995 -4.296 1.00 3.06 H new ATOM 0 HH12 ARG B 75 0.311 -9.872 -3.640 1.00 3.06 H new ATOM 0 HH21 ARG B 75 -1.627 -11.885 -1.484 1.00 3.67 H new ATOM 0 HH22 ARG B 75 -0.001 -11.498 -2.058 1.00 3.67 H new ATOM 1625 N VAL B 76 -8.315 -7.799 -2.049 1.00 0.62 N ATOM 1626 CA VAL B 76 -9.491 -7.786 -1.203 1.00 0.67 C ATOM 1627 C VAL B 76 -10.770 -8.064 -2.005 1.00 0.71 C ATOM 1628 O VAL B 76 -11.761 -8.536 -1.460 1.00 0.84 O ATOM 1629 CB VAL B 76 -9.583 -6.420 -0.484 1.00 0.61 C ATOM 1630 CG1 VAL B 76 -10.806 -6.325 0.401 1.00 0.64 C ATOM 1631 CG2 VAL B 76 -8.324 -6.171 0.337 1.00 0.59 C ATOM 0 H VAL B 76 -7.831 -6.902 -2.089 1.00 0.62 H new ATOM 0 HA VAL B 76 -9.398 -8.583 -0.465 1.00 0.67 H new ATOM 0 HB VAL B 76 -9.673 -5.653 -1.253 1.00 0.61 H new ATOM 0 HG11 VAL B 76 -10.829 -5.349 0.886 1.00 0.64 H new ATOM 0 HG12 VAL B 76 -11.704 -6.451 -0.204 1.00 0.64 H new ATOM 0 HG13 VAL B 76 -10.767 -7.106 1.160 1.00 0.64 H new ATOM 0 HG21 VAL B 76 -8.401 -5.206 0.838 1.00 0.59 H new ATOM 0 HG22 VAL B 76 -8.214 -6.959 1.082 1.00 0.59 H new ATOM 0 HG23 VAL B 76 -7.455 -6.169 -0.321 1.00 0.59 H new ATOM 1641 N ARG B 77 -10.736 -7.806 -3.304 1.00 0.66 N ATOM 1642 CA ARG B 77 -11.908 -8.026 -4.142 1.00 0.73 C ATOM 1643 C ARG B 77 -11.928 -9.438 -4.735 1.00 0.87 C ATOM 1644 O ARG B 77 -12.975 -9.920 -5.165 1.00 0.98 O ATOM 1645 CB ARG B 77 -11.981 -6.984 -5.258 1.00 0.75 C ATOM 1646 CG ARG B 77 -12.453 -5.618 -4.789 1.00 0.80 C ATOM 1647 CD ARG B 77 -12.485 -4.620 -5.933 1.00 0.84 C ATOM 1648 NE ARG B 77 -13.106 -3.356 -5.543 1.00 1.38 N ATOM 1649 CZ ARG B 77 -12.858 -2.187 -6.133 1.00 1.70 C ATOM 1650 NH1 ARG B 77 -11.980 -2.111 -7.127 1.00 1.45 N ATOM 1651 NH2 ARG B 77 -13.488 -1.090 -5.727 1.00 2.73 N ATOM 0 H ARG B 77 -9.919 -7.448 -3.798 1.00 0.66 H new ATOM 0 HA ARG B 77 -12.784 -7.921 -3.503 1.00 0.73 H new ATOM 0 HB2 ARG B 77 -10.996 -6.882 -5.712 1.00 0.75 H new ATOM 0 HB3 ARG B 77 -12.655 -7.344 -6.036 1.00 0.75 H new ATOM 0 HG2 ARG B 77 -13.448 -5.705 -4.352 1.00 0.80 H new ATOM 0 HG3 ARG B 77 -11.791 -5.253 -4.004 1.00 0.80 H new ATOM 0 HD2 ARG B 77 -11.468 -4.432 -6.278 1.00 0.84 H new ATOM 0 HD3 ARG B 77 -13.033 -5.049 -6.772 1.00 0.84 H new ATOM 0 HE ARG B 77 -13.772 -3.369 -4.770 1.00 1.38 H new ATOM 0 HH11 ARG B 77 -11.492 -2.950 -7.442 1.00 1.45 H new ATOM 0 HH12 ARG B 77 -11.794 -1.214 -7.575 1.00 1.45 H new ATOM 0 HH21 ARG B 77 -14.162 -1.142 -4.963 1.00 2.73 H new ATOM 0 HH22 ARG B 77 -13.298 -0.196 -6.179 1.00 2.73 H new ATOM 1665 N LYS B 78 -10.774 -10.090 -4.791 1.00 0.90 N ATOM 1666 CA LYS B 78 -10.712 -11.472 -5.245 1.00 1.08 C ATOM 1667 C LYS B 78 -11.113 -12.402 -4.125 1.00 1.12 C ATOM 1668 O LYS B 78 -11.906 -13.328 -4.310 1.00 1.32 O ATOM 1669 CB LYS B 78 -9.314 -11.828 -5.688 1.00 1.13 C ATOM 1670 CG LYS B 78 -8.816 -11.007 -6.844 1.00 1.35 C ATOM 1671 CD LYS B 78 -7.442 -10.490 -6.524 1.00 2.01 C ATOM 1672 CE LYS B 78 -6.395 -11.591 -6.578 1.00 2.67 C ATOM 1673 NZ LYS B 78 -6.298 -12.201 -7.929 1.00 3.44 N ATOM 0 H LYS B 78 -9.874 -9.687 -4.530 1.00 0.90 H new ATOM 0 HA LYS B 78 -11.396 -11.580 -6.086 1.00 1.08 H new ATOM 0 HB2 LYS B 78 -8.633 -11.703 -4.846 1.00 1.13 H new ATOM 0 HB3 LYS B 78 -9.288 -12.882 -5.965 1.00 1.13 H new ATOM 0 HG2 LYS B 78 -8.789 -11.612 -7.750 1.00 1.35 H new ATOM 0 HG3 LYS B 78 -9.495 -10.176 -7.035 1.00 1.35 H new ATOM 0 HD2 LYS B 78 -7.177 -9.702 -7.229 1.00 2.01 H new ATOM 0 HD3 LYS B 78 -7.445 -10.041 -5.531 1.00 2.01 H new ATOM 0 HE2 LYS B 78 -5.425 -11.183 -6.294 1.00 2.67 H new ATOM 0 HE3 LYS B 78 -6.642 -12.362 -5.849 1.00 2.67 H new ATOM 0 HZ1 LYS B 78 -5.382 -12.685 -8.027 1.00 3.44 H new ATOM 0 HZ2 LYS B 78 -7.068 -12.889 -8.056 1.00 3.44 H new ATOM 0 HZ3 LYS B 78 -6.376 -11.457 -8.652 1.00 3.44 H new