USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 494 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 102 GLN : amide:sc= -0.998 K(o=-1,f=-2.2!) USER MOD Set 1.2: A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -9.01! C(o=-9!,f=-7.1!) USER MOD Single : A 41 THR OG1 : rot 180:sc=-0.00194 USER MOD Single : A 43 TYR OH : rot 171:sc= -0.402 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -164:sc= -0.821 (180deg=-2.13!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -109:sc= -3.24 (180deg=-8.99!) USER MOD Single : A 74 ASN : amide:sc=-0.00505 K(o=-0.0051,f=-1.6!) USER MOD Single : A 75 CYS SG : rot 94:sc= -3.77! USER MOD Single : A 79 THR OG1 : rot 69:sc= -1.28! USER MOD Single : A 80 TYR OH : rot -17:sc= -7.45! USER MOD Single : A 82 LYS NZ :NH3+ -152:sc= -0.118 (180deg=-0.77) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -88:sc= -0.976! USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 94 ASN : amide:sc= -0.112 K(o=-0.11,f=-3.2!) USER MOD Single : A 96 THR OG1 : rot -91:sc= 0.353 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 100 SER OG : rot 33:sc= 0.406 USER MOD ----------------------------------------------------------------- ATOM 78 N ASN A 40 21.612 22.613 14.678 1.00 0.00 N ATOM 79 CA ASN A 40 20.922 21.907 13.562 1.00 0.00 C ATOM 80 C ASN A 40 21.955 21.156 12.724 1.00 0.00 C ATOM 81 O ASN A 40 23.129 21.161 13.027 1.00 0.00 O ATOM 82 CB ASN A 40 20.185 22.920 12.683 1.00 0.00 C ATOM 83 CG ASN A 40 19.028 22.220 11.968 1.00 0.00 C ATOM 84 OD1 ASN A 40 18.560 21.190 12.409 1.00 0.00 O ATOM 85 ND2 ASN A 40 18.542 22.740 10.874 1.00 0.00 N ATOM 0 HA ASN A 40 20.200 21.200 13.972 1.00 0.00 H new ATOM 0 HB2 ASN A 40 19.808 23.741 13.292 1.00 0.00 H new ATOM 0 HB3 ASN A 40 20.870 23.353 11.954 1.00 0.00 H new ATOM 0 HD21 ASN A 40 17.770 22.281 10.390 1.00 0.00 H new ATOM 0 HD22 ASN A 40 18.934 23.605 10.503 1.00 0.00 H new ATOM 92 N THR A 41 21.529 20.504 11.678 1.00 0.00 N ATOM 93 CA THR A 41 22.494 19.750 10.830 1.00 0.00 C ATOM 94 C THR A 41 22.134 19.931 9.354 1.00 0.00 C ATOM 95 O THR A 41 21.018 20.271 9.013 1.00 0.00 O ATOM 96 CB THR A 41 22.435 18.264 11.190 1.00 0.00 C ATOM 97 OG1 THR A 41 22.447 18.121 12.604 1.00 0.00 O ATOM 98 CG2 THR A 41 23.643 17.544 10.591 1.00 0.00 C ATOM 0 H THR A 41 20.556 20.461 11.374 1.00 0.00 H new ATOM 0 HA THR A 41 23.501 20.129 11.005 1.00 0.00 H new ATOM 0 HB THR A 41 21.520 17.828 10.788 1.00 0.00 H new ATOM 0 HG1 THR A 41 22.408 17.170 12.837 1.00 0.00 H new ATOM 0 HG21 THR A 41 23.600 16.486 10.848 1.00 0.00 H new ATOM 0 HG22 THR A 41 23.632 17.655 9.507 1.00 0.00 H new ATOM 0 HG23 THR A 41 24.560 17.977 10.991 1.00 0.00 H new ATOM 106 N LEU A 42 23.072 19.706 8.475 1.00 0.00 N ATOM 107 CA LEU A 42 22.788 19.865 7.022 1.00 0.00 C ATOM 108 C LEU A 42 23.569 18.814 6.232 1.00 0.00 C ATOM 109 O LEU A 42 24.684 18.471 6.571 1.00 0.00 O ATOM 110 CB LEU A 42 23.211 21.263 6.568 1.00 0.00 C ATOM 111 CG LEU A 42 22.528 22.313 7.447 1.00 0.00 C ATOM 112 CD1 LEU A 42 23.419 22.634 8.649 1.00 0.00 C ATOM 113 CD2 LEU A 42 22.297 23.586 6.629 1.00 0.00 C ATOM 0 H LEU A 42 24.024 19.418 8.702 1.00 0.00 H new ATOM 0 HA LEU A 42 21.721 19.734 6.845 1.00 0.00 H new ATOM 0 HB2 LEU A 42 24.294 21.366 6.634 1.00 0.00 H new ATOM 0 HB3 LEU A 42 22.940 21.415 5.523 1.00 0.00 H new ATOM 0 HG LEU A 42 21.572 21.926 7.799 1.00 0.00 H new ATOM 0 HD11 LEU A 42 22.931 23.382 9.274 1.00 0.00 H new ATOM 0 HD12 LEU A 42 23.585 21.727 9.231 1.00 0.00 H new ATOM 0 HD13 LEU A 42 24.376 23.022 8.299 1.00 0.00 H new ATOM 0 HD21 LEU A 42 21.810 24.336 7.253 1.00 0.00 H new ATOM 0 HD22 LEU A 42 23.254 23.972 6.278 1.00 0.00 H new ATOM 0 HD23 LEU A 42 21.662 23.358 5.773 1.00 0.00 H new ATOM 125 N TYR A 43 22.995 18.300 5.178 1.00 0.00 N ATOM 126 CA TYR A 43 23.709 17.274 4.370 1.00 0.00 C ATOM 127 C TYR A 43 24.212 17.906 3.070 1.00 0.00 C ATOM 128 O TYR A 43 23.441 18.235 2.191 1.00 0.00 O ATOM 129 CB TYR A 43 22.754 16.125 4.041 1.00 0.00 C ATOM 130 CG TYR A 43 23.410 15.195 3.051 1.00 0.00 C ATOM 131 CD1 TYR A 43 24.191 14.125 3.506 1.00 0.00 C ATOM 132 CD2 TYR A 43 23.243 15.403 1.677 1.00 0.00 C ATOM 133 CE1 TYR A 43 24.802 13.263 2.588 1.00 0.00 C ATOM 134 CE2 TYR A 43 23.854 14.542 0.758 1.00 0.00 C ATOM 135 CZ TYR A 43 24.634 13.472 1.213 1.00 0.00 C ATOM 136 OH TYR A 43 25.236 12.624 0.307 1.00 0.00 O ATOM 0 H TYR A 43 22.064 18.547 4.843 1.00 0.00 H new ATOM 0 HA TYR A 43 24.556 16.890 4.940 1.00 0.00 H new ATOM 0 HB2 TYR A 43 22.494 15.582 4.950 1.00 0.00 H new ATOM 0 HB3 TYR A 43 21.825 16.517 3.628 1.00 0.00 H new ATOM 0 HD1 TYR A 43 24.322 13.965 4.566 1.00 0.00 H new ATOM 0 HD2 TYR A 43 22.642 16.229 1.326 1.00 0.00 H new ATOM 0 HE1 TYR A 43 25.403 12.437 2.940 1.00 0.00 H new ATOM 0 HE2 TYR A 43 23.724 14.703 -0.302 1.00 0.00 H new ATOM 0 HH TYR A 43 24.904 12.819 -0.594 1.00 0.00 H new ATOM 146 N VAL A 44 25.499 18.075 2.942 1.00 0.00 N ATOM 147 CA VAL A 44 26.051 18.682 1.699 1.00 0.00 C ATOM 148 C VAL A 44 26.610 17.579 0.797 1.00 0.00 C ATOM 149 O VAL A 44 27.158 16.601 1.265 1.00 0.00 O ATOM 150 CB VAL A 44 27.170 19.660 2.061 1.00 0.00 C ATOM 151 CG1 VAL A 44 27.761 20.254 0.783 1.00 0.00 C ATOM 152 CG2 VAL A 44 26.603 20.786 2.929 1.00 0.00 C ATOM 0 H VAL A 44 26.192 17.819 3.645 1.00 0.00 H new ATOM 0 HA VAL A 44 25.259 19.215 1.173 1.00 0.00 H new ATOM 0 HB VAL A 44 27.949 19.132 2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 44 28.558 20.951 1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 44 28.165 19.454 0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 44 26.982 20.781 0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 44 27.400 21.483 3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 44 25.824 21.313 2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 44 26.180 20.365 3.841 1.00 0.00 H new ATOM 162 N TYR A 45 26.474 17.728 -0.492 1.00 0.00 N ATOM 163 CA TYR A 45 26.995 16.686 -1.421 1.00 0.00 C ATOM 164 C TYR A 45 27.724 17.361 -2.586 1.00 0.00 C ATOM 165 O TYR A 45 27.245 18.319 -3.158 1.00 0.00 O ATOM 166 CB TYR A 45 25.829 15.855 -1.960 1.00 0.00 C ATOM 167 CG TYR A 45 26.350 14.823 -2.931 1.00 0.00 C ATOM 168 CD1 TYR A 45 26.455 15.132 -4.292 1.00 0.00 C ATOM 169 CD2 TYR A 45 26.726 13.556 -2.469 1.00 0.00 C ATOM 170 CE1 TYR A 45 26.936 14.173 -5.193 1.00 0.00 C ATOM 171 CE2 TYR A 45 27.208 12.597 -3.370 1.00 0.00 C ATOM 172 CZ TYR A 45 27.313 12.906 -4.731 1.00 0.00 C ATOM 173 OH TYR A 45 27.787 11.962 -5.619 1.00 0.00 O ATOM 0 H TYR A 45 26.025 18.526 -0.942 1.00 0.00 H new ATOM 0 HA TYR A 45 27.688 16.035 -0.887 1.00 0.00 H new ATOM 0 HB2 TYR A 45 25.308 15.365 -1.138 1.00 0.00 H new ATOM 0 HB3 TYR A 45 25.106 16.503 -2.455 1.00 0.00 H new ATOM 0 HD1 TYR A 45 26.165 16.110 -4.648 1.00 0.00 H new ATOM 0 HD2 TYR A 45 26.645 13.318 -1.419 1.00 0.00 H new ATOM 0 HE1 TYR A 45 27.016 14.411 -6.243 1.00 0.00 H new ATOM 0 HE2 TYR A 45 27.498 11.620 -3.014 1.00 0.00 H new ATOM 0 HH TYR A 45 28.005 11.138 -5.135 1.00 0.00 H new ATOM 183 N GLY A 46 28.878 16.868 -2.940 1.00 0.00 N ATOM 184 CA GLY A 46 29.634 17.481 -4.068 1.00 0.00 C ATOM 185 C GLY A 46 30.987 16.782 -4.214 1.00 0.00 C ATOM 186 O GLY A 46 31.214 15.726 -3.657 1.00 0.00 O ATOM 0 H GLY A 46 29.330 16.068 -2.498 1.00 0.00 H new ATOM 0 HA2 GLY A 46 29.064 17.391 -4.993 1.00 0.00 H new ATOM 0 HA3 GLY A 46 29.780 18.546 -3.886 1.00 0.00 H new ATOM 190 N GLU A 47 31.888 17.363 -4.959 1.00 0.00 N ATOM 191 CA GLU A 47 33.225 16.730 -5.139 1.00 0.00 C ATOM 192 C GLU A 47 34.317 17.735 -4.768 1.00 0.00 C ATOM 193 O GLU A 47 34.103 18.931 -4.776 1.00 0.00 O ATOM 194 CB GLU A 47 33.397 16.308 -6.600 1.00 0.00 C ATOM 195 CG GLU A 47 32.345 15.254 -6.953 1.00 0.00 C ATOM 196 CD GLU A 47 32.610 14.721 -8.362 1.00 0.00 C ATOM 197 OE1 GLU A 47 33.467 15.273 -9.032 1.00 0.00 O ATOM 198 OE2 GLU A 47 31.951 13.768 -8.748 1.00 0.00 O ATOM 0 H GLU A 47 31.756 18.247 -5.450 1.00 0.00 H new ATOM 0 HA GLU A 47 33.302 15.853 -4.496 1.00 0.00 H new ATOM 0 HB2 GLU A 47 33.294 17.174 -7.254 1.00 0.00 H new ATOM 0 HB3 GLU A 47 34.398 15.906 -6.758 1.00 0.00 H new ATOM 0 HG2 GLU A 47 32.377 14.437 -6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 47 31.347 15.689 -6.899 1.00 0.00 H new ATOM 205 N ASP A 48 35.489 17.260 -4.441 1.00 0.00 N ATOM 206 CA ASP A 48 36.592 18.190 -4.070 1.00 0.00 C ATOM 207 C ASP A 48 36.055 19.268 -3.127 1.00 0.00 C ATOM 208 O ASP A 48 36.282 20.446 -3.322 1.00 0.00 O ATOM 209 CB ASP A 48 37.148 18.849 -5.333 1.00 0.00 C ATOM 210 CG ASP A 48 37.620 17.767 -6.307 1.00 0.00 C ATOM 211 OD1 ASP A 48 37.822 16.649 -5.866 1.00 0.00 O ATOM 212 OD2 ASP A 48 37.769 18.078 -7.478 1.00 0.00 O ATOM 0 H ASP A 48 35.729 16.269 -4.415 1.00 0.00 H new ATOM 0 HA ASP A 48 37.385 17.633 -3.571 1.00 0.00 H new ATOM 0 HB2 ASP A 48 36.381 19.466 -5.802 1.00 0.00 H new ATOM 0 HB3 ASP A 48 37.976 19.509 -5.077 1.00 0.00 H new ATOM 217 N MET A 49 35.344 18.876 -2.105 1.00 0.00 N ATOM 218 CA MET A 49 34.793 19.881 -1.151 1.00 0.00 C ATOM 219 C MET A 49 35.661 19.918 0.108 1.00 0.00 C ATOM 220 O MET A 49 36.125 18.903 0.585 1.00 0.00 O ATOM 221 CB MET A 49 33.363 19.494 -0.773 1.00 0.00 C ATOM 222 CG MET A 49 32.473 19.551 -2.017 1.00 0.00 C ATOM 223 SD MET A 49 30.749 19.274 -1.539 1.00 0.00 S ATOM 224 CE MET A 49 30.987 17.662 -0.752 1.00 0.00 C ATOM 0 H MET A 49 35.121 17.904 -1.889 1.00 0.00 H new ATOM 0 HA MET A 49 34.791 20.865 -1.620 1.00 0.00 H new ATOM 0 HB2 MET A 49 33.347 18.491 -0.347 1.00 0.00 H new ATOM 0 HB3 MET A 49 32.982 20.171 -0.009 1.00 0.00 H new ATOM 0 HG2 MET A 49 32.575 20.520 -2.506 1.00 0.00 H new ATOM 0 HG3 MET A 49 32.788 18.796 -2.737 1.00 0.00 H new ATOM 0 HE1 MET A 49 30.022 17.169 -0.633 1.00 0.00 H new ATOM 0 HE2 MET A 49 31.635 17.045 -1.374 1.00 0.00 H new ATOM 0 HE3 MET A 49 31.447 17.799 0.227 1.00 0.00 H new ATOM 234 N THR A 50 35.884 21.084 0.651 1.00 0.00 N ATOM 235 CA THR A 50 36.721 21.186 1.879 1.00 0.00 C ATOM 236 C THR A 50 35.910 21.851 2.994 1.00 0.00 C ATOM 237 O THR A 50 34.858 22.411 2.759 1.00 0.00 O ATOM 238 CB THR A 50 37.965 22.027 1.581 1.00 0.00 C ATOM 239 OG1 THR A 50 37.686 22.921 0.512 1.00 0.00 O ATOM 240 CG2 THR A 50 39.123 21.107 1.191 1.00 0.00 C ATOM 0 H THR A 50 35.523 21.970 0.297 1.00 0.00 H new ATOM 0 HA THR A 50 37.025 20.188 2.196 1.00 0.00 H new ATOM 0 HB THR A 50 38.240 22.597 2.468 1.00 0.00 H new ATOM 0 HG1 THR A 50 38.481 23.461 0.321 1.00 0.00 H new ATOM 0 HG21 THR A 50 40.008 21.706 0.979 1.00 0.00 H new ATOM 0 HG22 THR A 50 39.336 20.423 2.012 1.00 0.00 H new ATOM 0 HG23 THR A 50 38.851 20.536 0.304 1.00 0.00 H new ATOM 248 N PRO A 51 36.416 21.784 4.234 1.00 0.00 N ATOM 249 CA PRO A 51 35.744 22.378 5.397 1.00 0.00 C ATOM 250 C PRO A 51 35.788 23.908 5.361 1.00 0.00 C ATOM 251 O PRO A 51 34.771 24.569 5.427 1.00 0.00 O ATOM 252 CB PRO A 51 36.554 21.858 6.583 1.00 0.00 C ATOM 253 CG PRO A 51 37.904 21.563 6.020 1.00 0.00 C ATOM 254 CD PRO A 51 37.682 21.126 4.599 1.00 0.00 C ATOM 0 HA PRO A 51 34.687 22.114 5.437 1.00 0.00 H new ATOM 0 HB2 PRO A 51 36.611 22.600 7.379 1.00 0.00 H new ATOM 0 HB3 PRO A 51 36.100 20.965 7.011 1.00 0.00 H new ATOM 0 HG2 PRO A 51 38.543 22.445 6.060 1.00 0.00 H new ATOM 0 HG3 PRO A 51 38.402 20.782 6.594 1.00 0.00 H new ATOM 0 HD2 PRO A 51 38.500 21.439 3.950 1.00 0.00 H new ATOM 0 HD3 PRO A 51 37.609 20.041 4.519 1.00 0.00 H new ATOM 262 N THR A 52 36.958 24.477 5.253 1.00 0.00 N ATOM 263 CA THR A 52 37.061 25.962 5.211 1.00 0.00 C ATOM 264 C THR A 52 36.117 26.500 4.135 1.00 0.00 C ATOM 265 O THR A 52 35.372 27.434 4.358 1.00 0.00 O ATOM 266 CB THR A 52 38.500 26.366 4.879 1.00 0.00 C ATOM 267 OG1 THR A 52 39.389 25.739 5.792 1.00 0.00 O ATOM 268 CG2 THR A 52 38.642 27.886 4.987 1.00 0.00 C ATOM 0 H THR A 52 37.845 23.978 5.192 1.00 0.00 H new ATOM 0 HA THR A 52 36.786 26.377 6.181 1.00 0.00 H new ATOM 0 HB THR A 52 38.741 26.052 3.864 1.00 0.00 H new ATOM 0 HG1 THR A 52 40.311 25.995 5.580 1.00 0.00 H new ATOM 0 HG21 THR A 52 39.667 28.173 4.751 1.00 0.00 H new ATOM 0 HG22 THR A 52 37.959 28.366 4.286 1.00 0.00 H new ATOM 0 HG23 THR A 52 38.401 28.203 6.002 1.00 0.00 H new ATOM 276 N LEU A 53 36.139 25.915 2.969 1.00 0.00 N ATOM 277 CA LEU A 53 35.239 26.391 1.882 1.00 0.00 C ATOM 278 C LEU A 53 33.786 26.273 2.346 1.00 0.00 C ATOM 279 O LEU A 53 33.017 27.209 2.254 1.00 0.00 O ATOM 280 CB LEU A 53 35.446 25.535 0.631 1.00 0.00 C ATOM 281 CG LEU A 53 34.589 26.085 -0.511 1.00 0.00 C ATOM 282 CD1 LEU A 53 35.218 27.373 -1.046 1.00 0.00 C ATOM 283 CD2 LEU A 53 34.509 25.051 -1.635 1.00 0.00 C ATOM 0 H LEU A 53 36.741 25.129 2.723 1.00 0.00 H new ATOM 0 HA LEU A 53 35.468 27.431 1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 53 36.498 25.539 0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 53 35.175 24.499 0.837 1.00 0.00 H new ATOM 0 HG LEU A 53 33.586 26.297 -0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 53 34.608 27.765 -1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 53 35.273 28.111 -0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 53 36.222 27.162 -1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 53 33.898 25.444 -2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 53 35.512 24.837 -2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 53 34.060 24.134 -1.254 1.00 0.00 H new ATOM 295 N LEU A 54 33.406 25.130 2.848 1.00 0.00 N ATOM 296 CA LEU A 54 32.006 24.956 3.323 1.00 0.00 C ATOM 297 C LEU A 54 31.688 26.038 4.357 1.00 0.00 C ATOM 298 O LEU A 54 30.675 26.704 4.281 1.00 0.00 O ATOM 299 CB LEU A 54 31.850 23.575 3.962 1.00 0.00 C ATOM 300 CG LEU A 54 32.060 22.494 2.899 1.00 0.00 C ATOM 301 CD1 LEU A 54 32.670 21.250 3.549 1.00 0.00 C ATOM 302 CD2 LEU A 54 30.715 22.131 2.268 1.00 0.00 C ATOM 0 H LEU A 54 34.005 24.310 2.949 1.00 0.00 H new ATOM 0 HA LEU A 54 31.320 25.042 2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 54 32.573 23.452 4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 54 30.859 23.477 4.405 1.00 0.00 H new ATOM 0 HG LEU A 54 32.734 22.869 2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 54 32.820 20.480 2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 54 33.629 21.508 3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 54 31.997 20.875 4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 54 30.864 21.361 1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 54 30.041 21.756 3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.280 23.016 1.804 1.00 0.00 H new ATOM 314 N ARG A 55 32.549 26.222 5.320 1.00 0.00 N ATOM 315 CA ARG A 55 32.298 27.263 6.355 1.00 0.00 C ATOM 316 C ARG A 55 31.929 28.579 5.667 1.00 0.00 C ATOM 317 O ARG A 55 31.095 29.325 6.140 1.00 0.00 O ATOM 318 CB ARG A 55 33.559 27.464 7.196 1.00 0.00 C ATOM 319 CG ARG A 55 33.817 26.211 8.035 1.00 0.00 C ATOM 320 CD ARG A 55 35.040 26.437 8.927 1.00 0.00 C ATOM 321 NE ARG A 55 35.447 25.146 9.549 1.00 0.00 N ATOM 322 CZ ARG A 55 34.941 24.787 10.699 1.00 0.00 C ATOM 323 NH1 ARG A 55 33.876 25.384 11.159 1.00 0.00 N ATOM 324 NH2 ARG A 55 35.501 23.831 11.387 1.00 0.00 N ATOM 0 H ARG A 55 33.415 25.696 5.434 1.00 0.00 H new ATOM 0 HA ARG A 55 31.480 26.945 7.002 1.00 0.00 H new ATOM 0 HB2 ARG A 55 34.413 27.663 6.549 1.00 0.00 H new ATOM 0 HB3 ARG A 55 33.442 28.332 7.845 1.00 0.00 H new ATOM 0 HG2 ARG A 55 32.944 25.984 8.647 1.00 0.00 H new ATOM 0 HG3 ARG A 55 33.982 25.352 7.384 1.00 0.00 H new ATOM 0 HD2 ARG A 55 35.862 26.844 8.339 1.00 0.00 H new ATOM 0 HD3 ARG A 55 34.809 27.169 9.701 1.00 0.00 H new ATOM 0 HE ARG A 55 36.121 24.542 9.077 1.00 0.00 H new ATOM 0 HH11 ARG A 55 33.438 26.131 10.621 1.00 0.00 H new ATOM 0 HH12 ARG A 55 33.482 25.103 12.057 1.00 0.00 H new ATOM 0 HH21 ARG A 55 36.333 23.364 11.027 1.00 0.00 H new ATOM 0 HH22 ARG A 55 35.107 23.550 12.285 1.00 0.00 H new ATOM 338 N GLY A 56 32.545 28.869 4.554 1.00 0.00 N ATOM 339 CA GLY A 56 32.229 30.135 3.836 1.00 0.00 C ATOM 340 C GLY A 56 30.818 30.050 3.250 1.00 0.00 C ATOM 341 O GLY A 56 30.099 31.027 3.192 1.00 0.00 O ATOM 0 H GLY A 56 33.253 28.284 4.111 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.300 30.981 4.520 1.00 0.00 H new ATOM 0 HA3 GLY A 56 32.955 30.306 3.041 1.00 0.00 H new ATOM 345 N ALA A 57 30.415 28.886 2.815 1.00 0.00 N ATOM 346 CA ALA A 57 29.050 28.740 2.235 1.00 0.00 C ATOM 347 C ALA A 57 28.017 28.734 3.364 1.00 0.00 C ATOM 348 O ALA A 57 26.858 29.037 3.161 1.00 0.00 O ATOM 349 CB ALA A 57 28.962 27.427 1.456 1.00 0.00 C ATOM 0 H ALA A 57 30.972 28.032 2.836 1.00 0.00 H new ATOM 0 HA ALA A 57 28.850 29.574 1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 57 27.963 27.321 1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 57 29.698 27.431 0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 57 29.162 26.592 2.127 1.00 0.00 H new ATOM 355 N PHE A 58 28.430 28.394 4.554 1.00 0.00 N ATOM 356 CA PHE A 58 27.477 28.371 5.699 1.00 0.00 C ATOM 357 C PHE A 58 27.909 29.409 6.739 1.00 0.00 C ATOM 358 O PHE A 58 27.394 29.453 7.839 1.00 0.00 O ATOM 359 CB PHE A 58 27.483 26.980 6.339 1.00 0.00 C ATOM 360 CG PHE A 58 27.037 25.953 5.325 1.00 0.00 C ATOM 361 CD1 PHE A 58 25.674 25.697 5.142 1.00 0.00 C ATOM 362 CD2 PHE A 58 27.989 25.256 4.569 1.00 0.00 C ATOM 363 CE1 PHE A 58 25.260 24.745 4.204 1.00 0.00 C ATOM 364 CE2 PHE A 58 27.574 24.304 3.630 1.00 0.00 C ATOM 365 CZ PHE A 58 26.210 24.048 3.447 1.00 0.00 C ATOM 0 H PHE A 58 29.388 28.131 4.783 1.00 0.00 H new ATOM 0 HA PHE A 58 26.474 28.604 5.343 1.00 0.00 H new ATOM 0 HB2 PHE A 58 28.483 26.739 6.700 1.00 0.00 H new ATOM 0 HB3 PHE A 58 26.820 26.964 7.204 1.00 0.00 H new ATOM 0 HD1 PHE A 58 24.941 26.235 5.725 1.00 0.00 H new ATOM 0 HD2 PHE A 58 29.041 25.453 4.710 1.00 0.00 H new ATOM 0 HE1 PHE A 58 24.208 24.548 4.064 1.00 0.00 H new ATOM 0 HE2 PHE A 58 28.307 23.767 3.046 1.00 0.00 H new ATOM 0 HZ PHE A 58 25.890 23.314 2.723 1.00 0.00 H new ATOM 375 N SER A 59 28.858 30.239 6.401 1.00 0.00 N ATOM 376 CA SER A 59 29.336 31.268 7.367 1.00 0.00 C ATOM 377 C SER A 59 28.339 32.431 7.455 1.00 0.00 C ATOM 378 O SER A 59 27.917 32.810 8.529 1.00 0.00 O ATOM 379 CB SER A 59 30.694 31.803 6.906 1.00 0.00 C ATOM 380 OG SER A 59 30.802 33.178 7.244 1.00 0.00 O ATOM 0 H SER A 59 29.324 30.248 5.494 1.00 0.00 H new ATOM 0 HA SER A 59 29.428 30.808 8.351 1.00 0.00 H new ATOM 0 HB2 SER A 59 31.498 31.238 7.377 1.00 0.00 H new ATOM 0 HB3 SER A 59 30.801 31.673 5.829 1.00 0.00 H new ATOM 0 HG SER A 59 31.672 33.520 6.950 1.00 0.00 H new ATOM 386 N PRO A 60 27.969 33.021 6.304 1.00 0.00 N ATOM 387 CA PRO A 60 27.037 34.157 6.267 1.00 0.00 C ATOM 388 C PRO A 60 25.602 33.751 6.621 1.00 0.00 C ATOM 389 O PRO A 60 24.861 34.514 7.208 1.00 0.00 O ATOM 390 CB PRO A 60 27.104 34.628 4.814 1.00 0.00 C ATOM 391 CG PRO A 60 27.533 33.427 4.044 1.00 0.00 C ATOM 392 CD PRO A 60 28.425 32.632 4.957 1.00 0.00 C ATOM 0 HA PRO A 60 27.308 34.922 6.995 1.00 0.00 H new ATOM 0 HB2 PRO A 60 26.136 34.992 4.471 1.00 0.00 H new ATOM 0 HB3 PRO A 60 27.813 35.448 4.696 1.00 0.00 H new ATOM 0 HG2 PRO A 60 26.671 32.837 3.733 1.00 0.00 H new ATOM 0 HG3 PRO A 60 28.065 33.717 3.138 1.00 0.00 H new ATOM 0 HD2 PRO A 60 28.318 31.560 4.790 1.00 0.00 H new ATOM 0 HD3 PRO A 60 29.476 32.875 4.803 1.00 0.00 H new ATOM 400 N PHE A 61 25.199 32.561 6.269 1.00 0.00 N ATOM 401 CA PHE A 61 23.810 32.124 6.589 1.00 0.00 C ATOM 402 C PHE A 61 23.624 32.071 8.108 1.00 0.00 C ATOM 403 O PHE A 61 22.573 32.392 8.625 1.00 0.00 O ATOM 404 CB PHE A 61 23.560 30.740 5.991 1.00 0.00 C ATOM 405 CG PHE A 61 23.446 30.854 4.491 1.00 0.00 C ATOM 406 CD1 PHE A 61 22.230 31.227 3.906 1.00 0.00 C ATOM 407 CD2 PHE A 61 24.559 30.590 3.684 1.00 0.00 C ATOM 408 CE1 PHE A 61 22.127 31.334 2.513 1.00 0.00 C ATOM 409 CE2 PHE A 61 24.455 30.697 2.291 1.00 0.00 C ATOM 410 CZ PHE A 61 23.239 31.070 1.706 1.00 0.00 C ATOM 0 H PHE A 61 25.769 31.874 5.775 1.00 0.00 H new ATOM 0 HA PHE A 61 23.100 32.834 6.165 1.00 0.00 H new ATOM 0 HB2 PHE A 61 24.375 30.066 6.254 1.00 0.00 H new ATOM 0 HB3 PHE A 61 22.646 30.313 6.405 1.00 0.00 H new ATOM 0 HD1 PHE A 61 21.372 31.432 4.528 1.00 0.00 H new ATOM 0 HD2 PHE A 61 25.498 30.304 4.135 1.00 0.00 H new ATOM 0 HE1 PHE A 61 21.189 31.620 2.062 1.00 0.00 H new ATOM 0 HE2 PHE A 61 25.313 30.492 1.668 1.00 0.00 H new ATOM 0 HZ PHE A 61 23.159 31.154 0.632 1.00 0.00 H new ATOM 420 N GLY A 62 24.637 31.669 8.827 1.00 0.00 N ATOM 421 CA GLY A 62 24.515 31.598 10.310 1.00 0.00 C ATOM 422 C GLY A 62 25.827 31.082 10.905 1.00 0.00 C ATOM 423 O GLY A 62 26.790 30.850 10.202 1.00 0.00 O ATOM 0 H GLY A 62 25.542 31.387 8.451 1.00 0.00 H new ATOM 0 HA2 GLY A 62 24.283 32.583 10.714 1.00 0.00 H new ATOM 0 HA3 GLY A 62 23.693 30.938 10.587 1.00 0.00 H new ATOM 427 N ASN A 63 25.872 30.901 12.197 1.00 0.00 N ATOM 428 CA ASN A 63 27.122 30.400 12.835 1.00 0.00 C ATOM 429 C ASN A 63 27.062 28.876 12.953 1.00 0.00 C ATOM 430 O ASN A 63 26.041 28.309 13.290 1.00 0.00 O ATOM 431 CB ASN A 63 27.263 31.014 14.230 1.00 0.00 C ATOM 432 CG ASN A 63 27.327 32.538 14.110 1.00 0.00 C ATOM 433 OD1 ASN A 63 27.812 33.061 13.126 1.00 0.00 O ATOM 434 ND2 ASN A 63 26.855 33.276 15.076 1.00 0.00 N ATOM 0 H ASN A 63 25.098 31.078 12.837 1.00 0.00 H new ATOM 0 HA ASN A 63 27.979 30.682 12.224 1.00 0.00 H new ATOM 0 HB2 ASN A 63 26.419 30.722 14.855 1.00 0.00 H new ATOM 0 HB3 ASN A 63 28.164 30.638 14.716 1.00 0.00 H new ATOM 0 HD21 ASN A 63 26.893 34.293 15.006 1.00 0.00 H new ATOM 0 HD22 ASN A 63 26.448 32.836 15.902 1.00 0.00 H new ATOM 441 N ILE A 64 28.149 28.208 12.679 1.00 0.00 N ATOM 442 CA ILE A 64 28.155 26.721 12.775 1.00 0.00 C ATOM 443 C ILE A 64 28.778 26.300 14.109 1.00 0.00 C ATOM 444 O ILE A 64 29.746 26.878 14.562 1.00 0.00 O ATOM 445 CB ILE A 64 28.972 26.139 11.620 1.00 0.00 C ATOM 446 CG1 ILE A 64 28.423 26.667 10.292 1.00 0.00 C ATOM 447 CG2 ILE A 64 28.872 24.613 11.642 1.00 0.00 C ATOM 448 CD1 ILE A 64 29.470 26.472 9.193 1.00 0.00 C ATOM 0 H ILE A 64 29.033 28.628 12.393 1.00 0.00 H new ATOM 0 HA ILE A 64 27.133 26.347 12.719 1.00 0.00 H new ATOM 0 HB ILE A 64 30.015 26.436 11.727 1.00 0.00 H new ATOM 0 HG12 ILE A 64 27.504 26.141 10.031 1.00 0.00 H new ATOM 0 HG13 ILE A 64 28.170 27.723 10.385 1.00 0.00 H new ATOM 0 HG21 ILE A 64 29.454 24.198 10.819 1.00 0.00 H new ATOM 0 HG22 ILE A 64 29.261 24.236 12.588 1.00 0.00 H new ATOM 0 HG23 ILE A 64 27.829 24.315 11.535 1.00 0.00 H new ATOM 0 HD11 ILE A 64 29.079 26.848 8.247 1.00 0.00 H new ATOM 0 HD12 ILE A 64 30.377 27.018 9.453 1.00 0.00 H new ATOM 0 HD13 ILE A 64 29.701 25.411 9.094 1.00 0.00 H new ATOM 460 N ILE A 65 28.229 25.299 14.744 1.00 0.00 N ATOM 461 CA ILE A 65 28.788 24.847 16.050 1.00 0.00 C ATOM 462 C ILE A 65 29.590 23.560 15.850 1.00 0.00 C ATOM 463 O ILE A 65 30.411 23.195 16.669 1.00 0.00 O ATOM 464 CB ILE A 65 27.641 24.587 17.030 1.00 0.00 C ATOM 465 CG1 ILE A 65 26.865 23.343 16.592 1.00 0.00 C ATOM 466 CG2 ILE A 65 26.703 25.794 17.046 1.00 0.00 C ATOM 467 CD1 ILE A 65 25.750 23.057 17.600 1.00 0.00 C ATOM 0 H ILE A 65 27.418 24.775 14.415 1.00 0.00 H new ATOM 0 HA ILE A 65 29.443 25.620 16.451 1.00 0.00 H new ATOM 0 HB ILE A 65 28.046 24.427 18.029 1.00 0.00 H new ATOM 0 HG12 ILE A 65 26.442 23.496 15.599 1.00 0.00 H new ATOM 0 HG13 ILE A 65 27.537 22.487 16.524 1.00 0.00 H new ATOM 0 HG21 ILE A 65 25.886 25.610 17.743 1.00 0.00 H new ATOM 0 HG22 ILE A 65 27.255 26.680 17.359 1.00 0.00 H new ATOM 0 HG23 ILE A 65 26.298 25.954 16.047 1.00 0.00 H new ATOM 0 HD11 ILE A 65 25.197 22.171 17.289 1.00 0.00 H new ATOM 0 HD12 ILE A 65 26.185 22.886 18.585 1.00 0.00 H new ATOM 0 HD13 ILE A 65 25.073 23.910 17.646 1.00 0.00 H new ATOM 479 N ASP A 66 29.361 22.869 14.768 1.00 0.00 N ATOM 480 CA ASP A 66 30.112 21.607 14.517 1.00 0.00 C ATOM 481 C ASP A 66 30.215 21.368 13.009 1.00 0.00 C ATOM 482 O ASP A 66 29.226 21.361 12.304 1.00 0.00 O ATOM 483 CB ASP A 66 29.374 20.435 15.170 1.00 0.00 C ATOM 484 CG ASP A 66 30.218 19.166 15.044 1.00 0.00 C ATOM 485 OD1 ASP A 66 31.072 18.958 15.891 1.00 0.00 O ATOM 486 OD2 ASP A 66 29.997 18.421 14.103 1.00 0.00 O ATOM 0 H ASP A 66 28.686 23.124 14.047 1.00 0.00 H new ATOM 0 HA ASP A 66 31.112 21.688 14.942 1.00 0.00 H new ATOM 0 HB2 ASP A 66 29.181 20.653 16.220 1.00 0.00 H new ATOM 0 HB3 ASP A 66 28.406 20.289 14.691 1.00 0.00 H new ATOM 491 N LEU A 67 31.404 21.174 12.510 1.00 0.00 N ATOM 492 CA LEU A 67 31.565 20.937 11.048 1.00 0.00 C ATOM 493 C LEU A 67 32.010 19.493 10.815 1.00 0.00 C ATOM 494 O LEU A 67 33.025 19.057 11.322 1.00 0.00 O ATOM 495 CB LEU A 67 32.617 21.894 10.488 1.00 0.00 C ATOM 496 CG LEU A 67 32.802 21.628 8.992 1.00 0.00 C ATOM 497 CD1 LEU A 67 31.770 22.431 8.198 1.00 0.00 C ATOM 498 CD2 LEU A 67 34.211 22.049 8.569 1.00 0.00 C ATOM 0 H LEU A 67 32.269 21.169 13.050 1.00 0.00 H new ATOM 0 HA LEU A 67 30.615 21.111 10.543 1.00 0.00 H new ATOM 0 HB2 LEU A 67 32.308 22.927 10.649 1.00 0.00 H new ATOM 0 HB3 LEU A 67 33.563 21.759 11.012 1.00 0.00 H new ATOM 0 HG LEU A 67 32.665 20.565 8.793 1.00 0.00 H new ATOM 0 HD11 LEU A 67 31.902 22.241 7.133 1.00 0.00 H new ATOM 0 HD12 LEU A 67 30.766 22.131 8.498 1.00 0.00 H new ATOM 0 HD13 LEU A 67 31.905 23.494 8.397 1.00 0.00 H new ATOM 0 HD21 LEU A 67 34.343 21.860 7.504 1.00 0.00 H new ATOM 0 HD22 LEU A 67 34.348 23.112 8.768 1.00 0.00 H new ATOM 0 HD23 LEU A 67 34.947 21.476 9.133 1.00 0.00 H new ATOM 510 N SER A 68 31.259 18.748 10.052 1.00 0.00 N ATOM 511 CA SER A 68 31.638 17.332 9.788 1.00 0.00 C ATOM 512 C SER A 68 31.687 17.092 8.279 1.00 0.00 C ATOM 513 O SER A 68 30.848 17.565 7.538 1.00 0.00 O ATOM 514 CB SER A 68 30.603 16.401 10.421 1.00 0.00 C ATOM 515 OG SER A 68 30.842 15.068 9.995 1.00 0.00 O ATOM 0 H SER A 68 30.399 19.059 9.600 1.00 0.00 H new ATOM 0 HA SER A 68 32.618 17.130 10.220 1.00 0.00 H new ATOM 0 HB2 SER A 68 30.659 16.462 11.508 1.00 0.00 H new ATOM 0 HB3 SER A 68 29.597 16.710 10.136 1.00 0.00 H new ATOM 0 HG SER A 68 30.180 14.471 10.402 1.00 0.00 H new ATOM 521 N MET A 69 32.663 16.360 7.818 1.00 0.00 N ATOM 522 CA MET A 69 32.763 16.090 6.356 1.00 0.00 C ATOM 523 C MET A 69 32.884 14.583 6.123 1.00 0.00 C ATOM 524 O MET A 69 33.396 13.856 6.951 1.00 0.00 O ATOM 525 CB MET A 69 33.997 16.796 5.791 1.00 0.00 C ATOM 526 CG MET A 69 33.837 18.310 5.949 1.00 0.00 C ATOM 527 SD MET A 69 35.193 19.152 5.096 1.00 0.00 S ATOM 528 CE MET A 69 34.675 18.760 3.406 1.00 0.00 C ATOM 0 H MET A 69 33.395 15.938 8.389 1.00 0.00 H new ATOM 0 HA MET A 69 31.870 16.464 5.855 1.00 0.00 H new ATOM 0 HB2 MET A 69 34.893 16.458 6.312 1.00 0.00 H new ATOM 0 HB3 MET A 69 34.125 16.541 4.739 1.00 0.00 H new ATOM 0 HG2 MET A 69 32.880 18.630 5.538 1.00 0.00 H new ATOM 0 HG3 MET A 69 33.836 18.578 7.006 1.00 0.00 H new ATOM 0 HE1 MET A 69 35.361 18.030 2.975 1.00 0.00 H new ATOM 0 HE2 MET A 69 33.667 18.346 3.421 1.00 0.00 H new ATOM 0 HE3 MET A 69 34.685 19.668 2.803 1.00 0.00 H new ATOM 538 N ASP A 70 32.416 14.108 5.001 1.00 0.00 N ATOM 539 CA ASP A 70 32.504 12.648 4.714 1.00 0.00 C ATOM 540 C ASP A 70 33.124 12.437 3.330 1.00 0.00 C ATOM 541 O ASP A 70 32.470 12.587 2.319 1.00 0.00 O ATOM 542 CB ASP A 70 31.103 12.038 4.744 1.00 0.00 C ATOM 543 CG ASP A 70 31.201 10.527 4.528 1.00 0.00 C ATOM 544 OD1 ASP A 70 31.453 10.124 3.404 1.00 0.00 O ATOM 545 OD2 ASP A 70 31.024 9.797 5.490 1.00 0.00 O ATOM 0 H ASP A 70 31.976 14.668 4.271 1.00 0.00 H new ATOM 0 HA ASP A 70 33.126 12.166 5.468 1.00 0.00 H new ATOM 0 HB2 ASP A 70 30.623 12.249 5.700 1.00 0.00 H new ATOM 0 HB3 ASP A 70 30.482 12.488 3.969 1.00 0.00 H new ATOM 550 N PRO A 71 34.418 12.083 3.294 1.00 0.00 N ATOM 551 CA PRO A 71 35.137 11.852 2.040 1.00 0.00 C ATOM 552 C PRO A 71 34.778 10.516 1.355 1.00 0.00 C ATOM 553 O PRO A 71 34.875 10.409 0.149 1.00 0.00 O ATOM 554 CB PRO A 71 36.606 11.854 2.460 1.00 0.00 C ATOM 555 CG PRO A 71 36.608 11.472 3.903 1.00 0.00 C ATOM 556 CD PRO A 71 35.277 11.888 4.477 1.00 0.00 C ATOM 0 HA PRO A 71 34.881 12.611 1.301 1.00 0.00 H new ATOM 0 HB2 PRO A 71 37.185 11.147 1.866 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.055 12.836 2.313 1.00 0.00 H new ATOM 0 HG2 PRO A 71 36.757 10.398 4.016 1.00 0.00 H new ATOM 0 HG3 PRO A 71 37.425 11.965 4.430 1.00 0.00 H new ATOM 0 HD2 PRO A 71 34.873 11.124 5.141 1.00 0.00 H new ATOM 0 HD3 PRO A 71 35.364 12.804 5.061 1.00 0.00 H new ATOM 564 N PRO A 72 34.363 9.475 2.111 1.00 0.00 N ATOM 565 CA PRO A 72 34.016 8.182 1.510 1.00 0.00 C ATOM 566 C PRO A 72 32.657 8.229 0.804 1.00 0.00 C ATOM 567 O PRO A 72 32.361 7.413 -0.046 1.00 0.00 O ATOM 568 CB PRO A 72 33.948 7.232 2.701 1.00 0.00 C ATOM 569 CG PRO A 72 33.629 8.100 3.871 1.00 0.00 C ATOM 570 CD PRO A 72 34.199 9.462 3.580 1.00 0.00 C ATOM 0 HA PRO A 72 34.739 7.882 0.751 1.00 0.00 H new ATOM 0 HB2 PRO A 72 33.182 6.470 2.555 1.00 0.00 H new ATOM 0 HB3 PRO A 72 34.894 6.710 2.844 1.00 0.00 H new ATOM 0 HG2 PRO A 72 32.552 8.158 4.025 1.00 0.00 H new ATOM 0 HG3 PRO A 72 34.060 7.689 4.784 1.00 0.00 H new ATOM 0 HD2 PRO A 72 33.529 10.255 3.914 1.00 0.00 H new ATOM 0 HD3 PRO A 72 35.151 9.613 4.089 1.00 0.00 H new ATOM 578 N ARG A 73 31.830 9.176 1.150 1.00 0.00 N ATOM 579 CA ARG A 73 30.493 9.270 0.499 1.00 0.00 C ATOM 580 C ARG A 73 30.415 10.550 -0.337 1.00 0.00 C ATOM 581 O ARG A 73 29.410 10.838 -0.954 1.00 0.00 O ATOM 582 CB ARG A 73 29.404 9.293 1.574 1.00 0.00 C ATOM 583 CG ARG A 73 29.382 7.950 2.305 1.00 0.00 C ATOM 584 CD ARG A 73 28.206 7.918 3.281 1.00 0.00 C ATOM 585 NE ARG A 73 28.330 6.726 4.168 1.00 0.00 N ATOM 586 CZ ARG A 73 27.326 6.363 4.919 1.00 0.00 C ATOM 587 NH1 ARG A 73 26.169 6.098 4.377 1.00 0.00 N ATOM 588 NH2 ARG A 73 27.479 6.265 6.211 1.00 0.00 N ATOM 0 H ARG A 73 32.022 9.888 1.855 1.00 0.00 H new ATOM 0 HA ARG A 73 30.345 8.407 -0.150 1.00 0.00 H new ATOM 0 HB2 ARG A 73 29.593 10.101 2.281 1.00 0.00 H new ATOM 0 HB3 ARG A 73 28.433 9.488 1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 73 29.294 7.135 1.587 1.00 0.00 H new ATOM 0 HG3 ARG A 73 30.318 7.802 2.843 1.00 0.00 H new ATOM 0 HD2 ARG A 73 28.190 8.829 3.879 1.00 0.00 H new ATOM 0 HD3 ARG A 73 27.265 7.880 2.732 1.00 0.00 H new ATOM 0 HE ARG A 73 29.200 6.194 4.188 1.00 0.00 H new ATOM 0 HH11 ARG A 73 26.049 6.175 3.367 1.00 0.00 H new ATOM 0 HH12 ARG A 73 25.384 5.814 4.963 1.00 0.00 H new ATOM 0 HH21 ARG A 73 28.383 6.472 6.635 1.00 0.00 H new ATOM 0 HH22 ARG A 73 26.694 5.981 6.797 1.00 0.00 H new ATOM 602 N ASN A 74 31.469 11.319 -0.363 1.00 0.00 N ATOM 603 CA ASN A 74 31.451 12.577 -1.161 1.00 0.00 C ATOM 604 C ASN A 74 30.357 13.504 -0.628 1.00 0.00 C ATOM 605 O ASN A 74 29.638 14.130 -1.383 1.00 0.00 O ATOM 606 CB ASN A 74 31.168 12.247 -2.628 1.00 0.00 C ATOM 607 CG ASN A 74 32.302 11.384 -3.186 1.00 0.00 C ATOM 608 OD1 ASN A 74 33.371 11.320 -2.613 1.00 0.00 O ATOM 609 ND2 ASN A 74 32.111 10.712 -4.289 1.00 0.00 N ATOM 0 H ASN A 74 32.340 11.131 0.133 1.00 0.00 H new ATOM 0 HA ASN A 74 32.419 13.072 -1.080 1.00 0.00 H new ATOM 0 HB2 ASN A 74 30.218 11.719 -2.716 1.00 0.00 H new ATOM 0 HB3 ASN A 74 31.077 13.166 -3.207 1.00 0.00 H new ATOM 0 HD21 ASN A 74 32.860 10.133 -4.670 1.00 0.00 H new ATOM 0 HD22 ASN A 74 31.213 10.766 -4.770 1.00 0.00 H new ATOM 616 N CYS A 75 30.224 13.600 0.667 1.00 0.00 N ATOM 617 CA CYS A 75 29.177 14.488 1.245 1.00 0.00 C ATOM 618 C CYS A 75 29.705 15.129 2.529 1.00 0.00 C ATOM 619 O CYS A 75 30.491 14.544 3.249 1.00 0.00 O ATOM 620 CB CYS A 75 27.927 13.665 1.561 1.00 0.00 C ATOM 621 SG CYS A 75 28.369 12.289 2.651 1.00 0.00 S ATOM 0 H CYS A 75 30.795 13.102 1.349 1.00 0.00 H new ATOM 0 HA CYS A 75 28.925 15.268 0.527 1.00 0.00 H new ATOM 0 HB2 CYS A 75 27.176 14.294 2.038 1.00 0.00 H new ATOM 0 HB3 CYS A 75 27.486 13.285 0.639 1.00 0.00 H new ATOM 0 HG CYS A 75 28.184 12.639 3.889 1.00 0.00 H new ATOM 627 N ALA A 76 29.282 16.328 2.822 1.00 0.00 N ATOM 628 CA ALA A 76 29.762 17.005 4.060 1.00 0.00 C ATOM 629 C ALA A 76 28.563 17.362 4.942 1.00 0.00 C ATOM 630 O ALA A 76 27.481 17.624 4.459 1.00 0.00 O ATOM 631 CB ALA A 76 30.517 18.281 3.683 1.00 0.00 C ATOM 0 H ALA A 76 28.625 16.868 2.258 1.00 0.00 H new ATOM 0 HA ALA A 76 30.429 16.337 4.606 1.00 0.00 H new ATOM 0 HB1 ALA A 76 30.868 18.777 4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 76 31.370 18.027 3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 76 29.851 18.950 3.138 1.00 0.00 H new ATOM 637 N PHE A 77 28.748 17.373 6.234 1.00 0.00 N ATOM 638 CA PHE A 77 27.620 17.712 7.145 1.00 0.00 C ATOM 639 C PHE A 77 27.924 19.030 7.861 1.00 0.00 C ATOM 640 O PHE A 77 29.033 19.269 8.295 1.00 0.00 O ATOM 641 CB PHE A 77 27.447 16.598 8.179 1.00 0.00 C ATOM 642 CG PHE A 77 27.111 15.304 7.475 1.00 0.00 C ATOM 643 CD1 PHE A 77 28.138 14.484 6.992 1.00 0.00 C ATOM 644 CD2 PHE A 77 25.774 14.925 7.308 1.00 0.00 C ATOM 645 CE1 PHE A 77 27.827 13.284 6.340 1.00 0.00 C ATOM 646 CE2 PHE A 77 25.464 13.725 6.656 1.00 0.00 C ATOM 647 CZ PHE A 77 26.490 12.905 6.172 1.00 0.00 C ATOM 0 H PHE A 77 29.632 17.162 6.697 1.00 0.00 H new ATOM 0 HA PHE A 77 26.702 17.815 6.566 1.00 0.00 H new ATOM 0 HB2 PHE A 77 28.362 16.481 8.760 1.00 0.00 H new ATOM 0 HB3 PHE A 77 26.655 16.859 8.881 1.00 0.00 H new ATOM 0 HD1 PHE A 77 29.169 14.777 7.122 1.00 0.00 H new ATOM 0 HD2 PHE A 77 24.982 15.557 7.682 1.00 0.00 H new ATOM 0 HE1 PHE A 77 28.619 12.651 5.967 1.00 0.00 H new ATOM 0 HE2 PHE A 77 24.433 13.432 6.527 1.00 0.00 H new ATOM 0 HZ PHE A 77 26.250 11.980 5.669 1.00 0.00 H new ATOM 657 N VAL A 78 26.950 19.889 7.988 1.00 0.00 N ATOM 658 CA VAL A 78 27.192 21.188 8.674 1.00 0.00 C ATOM 659 C VAL A 78 26.209 21.346 9.837 1.00 0.00 C ATOM 660 O VAL A 78 25.075 20.916 9.766 1.00 0.00 O ATOM 661 CB VAL A 78 26.996 22.333 7.679 1.00 0.00 C ATOM 662 CG1 VAL A 78 27.279 23.665 8.375 1.00 0.00 C ATOM 663 CG2 VAL A 78 27.957 22.158 6.502 1.00 0.00 C ATOM 0 H VAL A 78 25.999 19.747 7.647 1.00 0.00 H new ATOM 0 HA VAL A 78 28.212 21.211 9.058 1.00 0.00 H new ATOM 0 HB VAL A 78 25.969 22.324 7.313 1.00 0.00 H new ATOM 0 HG11 VAL A 78 27.140 24.482 7.667 1.00 0.00 H new ATOM 0 HG12 VAL A 78 26.594 23.790 9.213 1.00 0.00 H new ATOM 0 HG13 VAL A 78 28.306 23.673 8.741 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.817 22.974 5.793 1.00 0.00 H new ATOM 0 HG22 VAL A 78 28.984 22.166 6.867 1.00 0.00 H new ATOM 0 HG23 VAL A 78 27.756 21.208 6.006 1.00 0.00 H new ATOM 673 N THR A 79 26.635 21.961 10.905 1.00 0.00 N ATOM 674 CA THR A 79 25.728 22.151 12.073 1.00 0.00 C ATOM 675 C THR A 79 25.450 23.646 12.250 1.00 0.00 C ATOM 676 O THR A 79 26.355 24.457 12.255 1.00 0.00 O ATOM 677 CB THR A 79 26.395 21.597 13.335 1.00 0.00 C ATOM 678 OG1 THR A 79 27.185 20.467 12.990 1.00 0.00 O ATOM 679 CG2 THR A 79 25.326 21.181 14.346 1.00 0.00 C ATOM 0 H THR A 79 27.574 22.341 11.020 1.00 0.00 H new ATOM 0 HA THR A 79 24.791 21.621 11.903 1.00 0.00 H new ATOM 0 HB THR A 79 27.027 22.367 13.778 1.00 0.00 H new ATOM 0 HG1 THR A 79 27.954 20.756 12.456 1.00 0.00 H new ATOM 0 HG21 THR A 79 25.806 20.788 15.242 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.719 22.047 14.610 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.690 20.412 13.908 1.00 0.00 H new ATOM 687 N TYR A 80 24.207 24.020 12.387 1.00 0.00 N ATOM 688 CA TYR A 80 23.882 25.466 12.555 1.00 0.00 C ATOM 689 C TYR A 80 23.347 25.716 13.964 1.00 0.00 C ATOM 690 O TYR A 80 22.482 25.011 14.441 1.00 0.00 O ATOM 691 CB TYR A 80 22.821 25.874 11.532 1.00 0.00 C ATOM 692 CG TYR A 80 23.489 26.570 10.372 1.00 0.00 C ATOM 693 CD1 TYR A 80 24.395 27.610 10.610 1.00 0.00 C ATOM 694 CD2 TYR A 80 23.207 26.173 9.061 1.00 0.00 C ATOM 695 CE1 TYR A 80 25.019 28.253 9.535 1.00 0.00 C ATOM 696 CE2 TYR A 80 23.829 26.816 7.987 1.00 0.00 C ATOM 697 CZ TYR A 80 24.736 27.856 8.223 1.00 0.00 C ATOM 698 OH TYR A 80 25.354 28.487 7.164 1.00 0.00 O ATOM 0 H TYR A 80 23.405 23.390 12.390 1.00 0.00 H new ATOM 0 HA TYR A 80 24.786 26.056 12.401 1.00 0.00 H new ATOM 0 HB2 TYR A 80 22.280 24.995 11.181 1.00 0.00 H new ATOM 0 HB3 TYR A 80 22.088 26.535 11.995 1.00 0.00 H new ATOM 0 HD1 TYR A 80 24.612 27.916 11.623 1.00 0.00 H new ATOM 0 HD2 TYR A 80 22.509 25.370 8.878 1.00 0.00 H new ATOM 0 HE1 TYR A 80 25.719 29.055 9.718 1.00 0.00 H new ATOM 0 HE2 TYR A 80 23.610 26.510 6.975 1.00 0.00 H new ATOM 0 HH TYR A 80 25.732 29.339 7.466 1.00 0.00 H new ATOM 708 N GLU A 81 23.851 26.720 14.629 1.00 0.00 N ATOM 709 CA GLU A 81 23.372 27.024 16.008 1.00 0.00 C ATOM 710 C GLU A 81 21.847 26.910 16.063 1.00 0.00 C ATOM 711 O GLU A 81 21.272 26.652 17.103 1.00 0.00 O ATOM 712 CB GLU A 81 23.790 28.445 16.393 1.00 0.00 C ATOM 713 CG GLU A 81 23.483 28.683 17.872 1.00 0.00 C ATOM 714 CD GLU A 81 23.880 30.111 18.254 1.00 0.00 C ATOM 715 OE1 GLU A 81 24.359 30.823 17.387 1.00 0.00 O ATOM 716 OE2 GLU A 81 23.698 30.467 19.407 1.00 0.00 O ATOM 0 H GLU A 81 24.576 27.345 14.276 1.00 0.00 H new ATOM 0 HA GLU A 81 23.812 26.312 16.706 1.00 0.00 H new ATOM 0 HB2 GLU A 81 24.854 28.586 16.204 1.00 0.00 H new ATOM 0 HB3 GLU A 81 23.258 29.171 15.779 1.00 0.00 H new ATOM 0 HG2 GLU A 81 22.422 28.526 18.064 1.00 0.00 H new ATOM 0 HG3 GLU A 81 24.027 27.966 18.487 1.00 0.00 H new ATOM 723 N LYS A 82 21.184 27.098 14.955 1.00 0.00 N ATOM 724 CA LYS A 82 19.697 26.998 14.950 1.00 0.00 C ATOM 725 C LYS A 82 19.236 26.352 13.644 1.00 0.00 C ATOM 726 O LYS A 82 19.976 26.264 12.685 1.00 0.00 O ATOM 727 CB LYS A 82 19.091 28.396 15.061 1.00 0.00 C ATOM 728 CG LYS A 82 19.657 29.106 16.292 1.00 0.00 C ATOM 729 CD LYS A 82 18.846 30.374 16.563 1.00 0.00 C ATOM 730 CE LYS A 82 19.209 31.442 15.528 1.00 0.00 C ATOM 731 NZ LYS A 82 20.626 31.859 15.722 1.00 0.00 N ATOM 0 H LYS A 82 21.608 27.316 14.053 1.00 0.00 H new ATOM 0 HA LYS A 82 19.372 26.391 15.795 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.313 28.972 14.163 1.00 0.00 H new ATOM 0 HB3 LYS A 82 18.006 28.328 15.135 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.618 28.444 17.157 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.705 29.359 16.130 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.780 30.154 16.515 1.00 0.00 H new ATOM 0 HD3 LYS A 82 19.051 30.742 17.568 1.00 0.00 H new ATOM 0 HE2 LYS A 82 19.069 31.050 14.521 1.00 0.00 H new ATOM 0 HE3 LYS A 82 18.548 32.303 15.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 20.747 32.840 15.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 20.872 31.794 16.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 21.250 31.234 15.173 1.00 0.00 H new ATOM 745 N MET A 83 18.013 25.901 13.599 1.00 0.00 N ATOM 746 CA MET A 83 17.498 25.263 12.358 1.00 0.00 C ATOM 747 C MET A 83 17.083 26.348 11.360 1.00 0.00 C ATOM 748 O MET A 83 16.859 26.081 10.196 1.00 0.00 O ATOM 749 CB MET A 83 16.296 24.386 12.707 1.00 0.00 C ATOM 750 CG MET A 83 16.613 23.596 13.981 1.00 0.00 C ATOM 751 SD MET A 83 15.279 22.422 14.319 1.00 0.00 S ATOM 752 CE MET A 83 16.220 21.326 15.410 1.00 0.00 C ATOM 0 H MET A 83 17.348 25.948 14.371 1.00 0.00 H new ATOM 0 HA MET A 83 18.276 24.646 11.908 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.410 25.003 12.856 1.00 0.00 H new ATOM 0 HB3 MET A 83 16.075 23.704 11.886 1.00 0.00 H new ATOM 0 HG2 MET A 83 17.557 23.064 13.865 1.00 0.00 H new ATOM 0 HG3 MET A 83 16.732 24.278 14.823 1.00 0.00 H new ATOM 0 HE1 MET A 83 15.580 20.510 15.746 1.00 0.00 H new ATOM 0 HE2 MET A 83 17.073 20.918 14.868 1.00 0.00 H new ATOM 0 HE3 MET A 83 16.574 21.889 16.273 1.00 0.00 H new ATOM 762 N GLU A 84 16.986 27.572 11.805 1.00 0.00 N ATOM 763 CA GLU A 84 16.592 28.671 10.878 1.00 0.00 C ATOM 764 C GLU A 84 17.769 28.998 9.957 1.00 0.00 C ATOM 765 O GLU A 84 17.601 29.226 8.776 1.00 0.00 O ATOM 766 CB GLU A 84 16.216 29.913 11.687 1.00 0.00 C ATOM 767 CG GLU A 84 14.923 29.645 12.459 1.00 0.00 C ATOM 768 CD GLU A 84 14.449 30.937 13.127 1.00 0.00 C ATOM 769 OE1 GLU A 84 15.192 31.904 13.095 1.00 0.00 O ATOM 770 OE2 GLU A 84 13.352 30.938 13.661 1.00 0.00 O ATOM 0 H GLU A 84 17.162 27.858 12.768 1.00 0.00 H new ATOM 0 HA GLU A 84 15.736 28.357 10.281 1.00 0.00 H new ATOM 0 HB2 GLU A 84 17.019 30.167 12.379 1.00 0.00 H new ATOM 0 HB3 GLU A 84 16.085 30.767 11.023 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.155 29.270 11.783 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.090 28.874 13.211 1.00 0.00 H new ATOM 777 N SER A 85 18.960 29.017 10.489 1.00 0.00 N ATOM 778 CA SER A 85 20.149 29.323 9.645 1.00 0.00 C ATOM 779 C SER A 85 20.355 28.193 8.635 1.00 0.00 C ATOM 780 O SER A 85 20.695 28.423 7.491 1.00 0.00 O ATOM 781 CB SER A 85 21.389 29.439 10.533 1.00 0.00 C ATOM 782 OG SER A 85 22.557 29.378 9.727 1.00 0.00 O ATOM 0 H SER A 85 19.161 28.834 11.472 1.00 0.00 H new ATOM 0 HA SER A 85 19.989 30.264 9.118 1.00 0.00 H new ATOM 0 HB2 SER A 85 21.366 30.377 11.087 1.00 0.00 H new ATOM 0 HB3 SER A 85 21.399 28.634 11.268 1.00 0.00 H new ATOM 0 HG SER A 85 22.829 28.443 9.615 1.00 0.00 H new ATOM 788 N ALA A 86 20.151 26.974 9.052 1.00 0.00 N ATOM 789 CA ALA A 86 20.335 25.826 8.120 1.00 0.00 C ATOM 790 C ALA A 86 19.190 25.812 7.105 1.00 0.00 C ATOM 791 O ALA A 86 19.317 25.281 6.019 1.00 0.00 O ATOM 792 CB ALA A 86 20.332 24.519 8.916 1.00 0.00 C ATOM 0 H ALA A 86 19.865 26.723 9.998 1.00 0.00 H new ATOM 0 HA ALA A 86 21.285 25.927 7.596 1.00 0.00 H new ATOM 0 HB1 ALA A 86 20.466 23.678 8.235 1.00 0.00 H new ATOM 0 HB2 ALA A 86 21.146 24.533 9.641 1.00 0.00 H new ATOM 0 HB3 ALA A 86 19.382 24.414 9.439 1.00 0.00 H new ATOM 798 N ASP A 87 18.075 26.392 7.450 1.00 0.00 N ATOM 799 CA ASP A 87 16.922 26.415 6.506 1.00 0.00 C ATOM 800 C ASP A 87 17.211 27.400 5.370 1.00 0.00 C ATOM 801 O ASP A 87 17.041 27.089 4.207 1.00 0.00 O ATOM 802 CB ASP A 87 15.662 26.856 7.254 1.00 0.00 C ATOM 803 CG ASP A 87 15.043 25.652 7.966 1.00 0.00 C ATOM 804 OD1 ASP A 87 15.504 24.547 7.730 1.00 0.00 O ATOM 805 OD2 ASP A 87 14.117 25.855 8.735 1.00 0.00 O ATOM 0 H ASP A 87 17.911 26.852 8.346 1.00 0.00 H new ATOM 0 HA ASP A 87 16.771 25.418 6.092 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.909 27.632 7.978 1.00 0.00 H new ATOM 0 HB3 ASP A 87 14.944 27.288 6.556 1.00 0.00 H new ATOM 810 N GLN A 88 17.645 28.586 5.698 1.00 0.00 N ATOM 811 CA GLN A 88 17.944 29.591 4.639 1.00 0.00 C ATOM 812 C GLN A 88 19.167 29.144 3.837 1.00 0.00 C ATOM 813 O GLN A 88 19.231 29.320 2.636 1.00 0.00 O ATOM 814 CB GLN A 88 18.228 30.947 5.288 1.00 0.00 C ATOM 815 CG GLN A 88 18.581 31.968 4.204 1.00 0.00 C ATOM 816 CD GLN A 88 18.993 33.288 4.859 1.00 0.00 C ATOM 817 OE1 GLN A 88 18.935 33.426 6.064 1.00 0.00 O ATOM 818 NE2 GLN A 88 19.411 34.272 4.110 1.00 0.00 N ATOM 0 H GLN A 88 17.806 28.903 6.654 1.00 0.00 H new ATOM 0 HA GLN A 88 17.086 29.679 3.972 1.00 0.00 H new ATOM 0 HB2 GLN A 88 17.356 31.283 5.849 1.00 0.00 H new ATOM 0 HB3 GLN A 88 19.049 30.857 5.999 1.00 0.00 H new ATOM 0 HG2 GLN A 88 19.393 31.589 3.583 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.726 32.127 3.547 1.00 0.00 H new ATOM 0 HE21 GLN A 88 19.460 34.157 3.098 1.00 0.00 H new ATOM 0 HE22 GLN A 88 19.689 35.156 4.537 1.00 0.00 H new ATOM 827 N ALA A 89 20.140 28.568 4.489 1.00 0.00 N ATOM 828 CA ALA A 89 21.356 28.115 3.759 1.00 0.00 C ATOM 829 C ALA A 89 21.000 26.930 2.859 1.00 0.00 C ATOM 830 O ALA A 89 21.449 26.836 1.735 1.00 0.00 O ATOM 831 CB ALA A 89 22.427 27.687 4.766 1.00 0.00 C ATOM 0 H ALA A 89 20.145 28.392 5.494 1.00 0.00 H new ATOM 0 HA ALA A 89 21.738 28.933 3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 89 23.317 27.355 4.231 1.00 0.00 H new ATOM 0 HB2 ALA A 89 22.682 28.531 5.407 1.00 0.00 H new ATOM 0 HB3 ALA A 89 22.045 26.869 5.378 1.00 0.00 H new ATOM 837 N VAL A 90 20.198 26.022 3.345 1.00 0.00 N ATOM 838 CA VAL A 90 19.816 24.844 2.517 1.00 0.00 C ATOM 839 C VAL A 90 19.061 25.314 1.272 1.00 0.00 C ATOM 840 O VAL A 90 19.153 24.719 0.216 1.00 0.00 O ATOM 841 CB VAL A 90 18.915 23.916 3.336 1.00 0.00 C ATOM 842 CG1 VAL A 90 18.330 22.836 2.422 1.00 0.00 C ATOM 843 CG2 VAL A 90 19.734 23.255 4.447 1.00 0.00 C ATOM 0 H VAL A 90 19.791 26.046 4.280 1.00 0.00 H new ATOM 0 HA VAL A 90 20.716 24.308 2.215 1.00 0.00 H new ATOM 0 HB VAL A 90 18.105 24.496 3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 90 17.688 22.175 3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 90 17.745 23.306 1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 90 19.140 22.257 1.978 1.00 0.00 H new ATOM 0 HG21 VAL A 90 19.091 22.595 5.029 1.00 0.00 H new ATOM 0 HG22 VAL A 90 20.545 22.676 4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 90 20.150 24.023 5.099 1.00 0.00 H new ATOM 853 N ALA A 91 18.309 26.374 1.388 1.00 0.00 N ATOM 854 CA ALA A 91 17.543 26.877 0.213 1.00 0.00 C ATOM 855 C ALA A 91 18.469 27.673 -0.709 1.00 0.00 C ATOM 856 O ALA A 91 18.482 27.480 -1.909 1.00 0.00 O ATOM 857 CB ALA A 91 16.411 27.785 0.698 1.00 0.00 C ATOM 0 H ALA A 91 18.192 26.913 2.246 1.00 0.00 H new ATOM 0 HA ALA A 91 17.129 26.031 -0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 91 15.849 28.155 -0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.746 27.220 1.352 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.831 28.628 1.247 1.00 0.00 H new ATOM 863 N GLU A 92 19.235 28.576 -0.162 1.00 0.00 N ATOM 864 CA GLU A 92 20.149 29.393 -1.009 1.00 0.00 C ATOM 865 C GLU A 92 21.335 28.542 -1.471 1.00 0.00 C ATOM 866 O GLU A 92 21.744 28.601 -2.614 1.00 0.00 O ATOM 867 CB GLU A 92 20.661 30.584 -0.199 1.00 0.00 C ATOM 868 CG GLU A 92 19.477 31.440 0.255 1.00 0.00 C ATOM 869 CD GLU A 92 18.804 32.069 -0.967 1.00 0.00 C ATOM 870 OE1 GLU A 92 19.406 32.044 -2.027 1.00 0.00 O ATOM 871 OE2 GLU A 92 17.699 32.564 -0.820 1.00 0.00 O ATOM 0 H GLU A 92 19.268 28.784 0.836 1.00 0.00 H new ATOM 0 HA GLU A 92 19.604 29.750 -1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 92 21.223 30.234 0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 92 21.345 31.181 -0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 92 18.761 30.828 0.803 1.00 0.00 H new ATOM 0 HG3 GLU A 92 19.818 32.219 0.937 1.00 0.00 H new ATOM 878 N LEU A 93 21.896 27.757 -0.593 1.00 0.00 N ATOM 879 CA LEU A 93 23.060 26.912 -0.988 1.00 0.00 C ATOM 880 C LEU A 93 22.598 25.809 -1.943 1.00 0.00 C ATOM 881 O LEU A 93 23.276 25.476 -2.895 1.00 0.00 O ATOM 882 CB LEU A 93 23.681 26.280 0.261 1.00 0.00 C ATOM 883 CG LEU A 93 24.204 27.383 1.186 1.00 0.00 C ATOM 884 CD1 LEU A 93 25.102 26.764 2.258 1.00 0.00 C ATOM 885 CD2 LEU A 93 25.009 28.400 0.372 1.00 0.00 C ATOM 0 H LEU A 93 21.600 27.664 0.379 1.00 0.00 H new ATOM 0 HA LEU A 93 23.802 27.534 -1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 93 22.939 25.675 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 93 24.495 25.612 -0.023 1.00 0.00 H new ATOM 0 HG LEU A 93 23.362 27.886 1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 93 25.475 27.548 2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 93 24.529 26.042 2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 93 25.943 26.260 1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 93 25.380 29.183 1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 93 25.851 27.899 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 93 24.370 28.842 -0.392 1.00 0.00 H new ATOM 897 N ASN A 94 21.450 25.238 -1.699 1.00 0.00 N ATOM 898 CA ASN A 94 20.951 24.158 -2.596 1.00 0.00 C ATOM 899 C ASN A 94 20.502 24.764 -3.927 1.00 0.00 C ATOM 900 O ASN A 94 19.618 25.596 -3.974 1.00 0.00 O ATOM 901 CB ASN A 94 19.770 23.448 -1.934 1.00 0.00 C ATOM 902 CG ASN A 94 19.421 22.189 -2.730 1.00 0.00 C ATOM 903 OD1 ASN A 94 20.079 21.868 -3.700 1.00 0.00 O ATOM 904 ND2 ASN A 94 18.408 21.457 -2.358 1.00 0.00 N ATOM 0 H ASN A 94 20.837 25.472 -0.918 1.00 0.00 H new ATOM 0 HA ASN A 94 21.751 23.440 -2.777 1.00 0.00 H new ATOM 0 HB2 ASN A 94 20.020 23.184 -0.906 1.00 0.00 H new ATOM 0 HB3 ASN A 94 18.909 24.115 -1.891 1.00 0.00 H new ATOM 0 HD21 ASN A 94 18.168 20.615 -2.881 1.00 0.00 H new ATOM 0 HD22 ASN A 94 17.856 21.726 -1.544 1.00 0.00 H new ATOM 911 N GLY A 95 21.103 24.354 -5.010 1.00 0.00 N ATOM 912 CA GLY A 95 20.709 24.907 -6.336 1.00 0.00 C ATOM 913 C GLY A 95 21.738 25.949 -6.781 1.00 0.00 C ATOM 914 O GLY A 95 21.433 26.854 -7.533 1.00 0.00 O ATOM 0 H GLY A 95 21.850 23.660 -5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 95 20.646 24.105 -7.072 1.00 0.00 H new ATOM 0 HA3 GLY A 95 19.720 25.361 -6.273 1.00 0.00 H new ATOM 918 N THR A 96 22.954 25.830 -6.322 1.00 0.00 N ATOM 919 CA THR A 96 24.000 26.815 -6.719 1.00 0.00 C ATOM 920 C THR A 96 25.203 26.072 -7.304 1.00 0.00 C ATOM 921 O THR A 96 25.442 24.922 -6.998 1.00 0.00 O ATOM 922 CB THR A 96 24.440 27.614 -5.490 1.00 0.00 C ATOM 923 OG1 THR A 96 25.312 26.818 -4.698 1.00 0.00 O ATOM 924 CG2 THR A 96 23.214 28.005 -4.666 1.00 0.00 C ATOM 0 H THR A 96 23.268 25.094 -5.690 1.00 0.00 H new ATOM 0 HA THR A 96 23.595 27.495 -7.468 1.00 0.00 H new ATOM 0 HB THR A 96 24.961 28.516 -5.810 1.00 0.00 H new ATOM 0 HG1 THR A 96 24.789 26.321 -4.034 1.00 0.00 H new ATOM 0 HG21 THR A 96 23.530 28.574 -3.791 1.00 0.00 H new ATOM 0 HG22 THR A 96 22.546 28.615 -5.274 1.00 0.00 H new ATOM 0 HG23 THR A 96 22.690 27.105 -4.344 1.00 0.00 H new ATOM 932 N GLN A 97 25.963 26.722 -8.143 1.00 0.00 N ATOM 933 CA GLN A 97 27.150 26.052 -8.746 1.00 0.00 C ATOM 934 C GLN A 97 28.387 26.931 -8.551 1.00 0.00 C ATOM 935 O GLN A 97 28.335 28.136 -8.701 1.00 0.00 O ATOM 936 CB GLN A 97 26.908 25.836 -10.241 1.00 0.00 C ATOM 937 CG GLN A 97 28.033 24.977 -10.820 1.00 0.00 C ATOM 938 CD GLN A 97 27.763 24.715 -12.303 1.00 0.00 C ATOM 939 OE1 GLN A 97 26.715 25.062 -12.811 1.00 0.00 O ATOM 940 NE2 GLN A 97 28.671 24.117 -13.024 1.00 0.00 N ATOM 0 H GLN A 97 25.813 27.687 -8.437 1.00 0.00 H new ATOM 0 HA GLN A 97 27.309 25.089 -8.260 1.00 0.00 H new ATOM 0 HB2 GLN A 97 25.946 25.348 -10.398 1.00 0.00 H new ATOM 0 HB3 GLN A 97 26.867 26.796 -10.756 1.00 0.00 H new ATOM 0 HG2 GLN A 97 28.991 25.483 -10.698 1.00 0.00 H new ATOM 0 HG3 GLN A 97 28.099 24.033 -10.279 1.00 0.00 H new ATOM 0 HE21 GLN A 97 29.551 23.826 -12.598 1.00 0.00 H new ATOM 0 HE22 GLN A 97 28.501 23.941 -14.014 1.00 0.00 H new ATOM 949 N VAL A 98 29.500 26.337 -8.215 1.00 0.00 N ATOM 950 CA VAL A 98 30.739 27.140 -8.010 1.00 0.00 C ATOM 951 C VAL A 98 31.367 27.462 -9.369 1.00 0.00 C ATOM 952 O VAL A 98 30.680 27.611 -10.360 1.00 0.00 O ATOM 953 CB VAL A 98 31.736 26.340 -7.165 1.00 0.00 C ATOM 954 CG1 VAL A 98 32.605 27.304 -6.356 1.00 0.00 C ATOM 955 CG2 VAL A 98 30.977 25.416 -6.210 1.00 0.00 C ATOM 0 H VAL A 98 29.605 25.332 -8.074 1.00 0.00 H new ATOM 0 HA VAL A 98 30.489 28.067 -7.494 1.00 0.00 H new ATOM 0 HB VAL A 98 32.367 25.741 -7.822 1.00 0.00 H new ATOM 0 HG11 VAL A 98 33.315 26.736 -5.754 1.00 0.00 H new ATOM 0 HG12 VAL A 98 33.149 27.961 -7.035 1.00 0.00 H new ATOM 0 HG13 VAL A 98 31.972 27.903 -5.701 1.00 0.00 H new ATOM 0 HG21 VAL A 98 31.689 24.848 -5.610 1.00 0.00 H new ATOM 0 HG22 VAL A 98 30.344 26.012 -5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 98 30.357 24.728 -6.785 1.00 0.00 H new ATOM 965 N GLU A 99 32.666 27.570 -9.423 1.00 0.00 N ATOM 966 CA GLU A 99 33.335 27.882 -10.719 1.00 0.00 C ATOM 967 C GLU A 99 33.078 26.746 -11.711 1.00 0.00 C ATOM 968 O GLU A 99 32.858 26.971 -12.885 1.00 0.00 O ATOM 969 CB GLU A 99 34.840 28.030 -10.491 1.00 0.00 C ATOM 970 CG GLU A 99 35.103 29.238 -9.589 1.00 0.00 C ATOM 971 CD GLU A 99 36.611 29.437 -9.431 1.00 0.00 C ATOM 972 OE1 GLU A 99 37.353 28.577 -9.876 1.00 0.00 O ATOM 973 OE2 GLU A 99 36.998 30.447 -8.867 1.00 0.00 O ATOM 0 H GLU A 99 33.293 27.456 -8.627 1.00 0.00 H new ATOM 0 HA GLU A 99 32.935 28.813 -11.121 1.00 0.00 H new ATOM 0 HB2 GLU A 99 35.240 27.126 -10.032 1.00 0.00 H new ATOM 0 HB3 GLU A 99 35.352 28.156 -11.445 1.00 0.00 H new ATOM 0 HG2 GLU A 99 34.650 30.132 -10.019 1.00 0.00 H new ATOM 0 HG3 GLU A 99 34.641 29.084 -8.614 1.00 0.00 H new ATOM 980 N SER A 100 33.103 25.526 -11.248 1.00 0.00 N ATOM 981 CA SER A 100 32.859 24.376 -12.165 1.00 0.00 C ATOM 982 C SER A 100 32.354 23.178 -11.357 1.00 0.00 C ATOM 983 O SER A 100 32.514 22.040 -11.751 1.00 0.00 O ATOM 984 CB SER A 100 34.162 24.002 -12.872 1.00 0.00 C ATOM 985 OG SER A 100 34.239 24.686 -14.115 1.00 0.00 O ATOM 0 H SER A 100 33.282 25.276 -10.275 1.00 0.00 H new ATOM 0 HA SER A 100 32.111 24.655 -12.907 1.00 0.00 H new ATOM 0 HB2 SER A 100 35.016 24.264 -12.247 1.00 0.00 H new ATOM 0 HB3 SER A 100 34.204 22.925 -13.034 1.00 0.00 H new ATOM 0 HG SER A 100 33.808 25.562 -14.033 1.00 0.00 H new ATOM 991 N VAL A 101 31.745 23.426 -10.230 1.00 0.00 N ATOM 992 CA VAL A 101 31.229 22.302 -9.399 1.00 0.00 C ATOM 993 C VAL A 101 29.862 22.681 -8.825 1.00 0.00 C ATOM 994 O VAL A 101 29.608 23.824 -8.503 1.00 0.00 O ATOM 995 CB VAL A 101 32.204 22.024 -8.253 1.00 0.00 C ATOM 996 CG1 VAL A 101 31.680 20.861 -7.408 1.00 0.00 C ATOM 997 CG2 VAL A 101 33.575 21.660 -8.827 1.00 0.00 C ATOM 0 H VAL A 101 31.583 24.358 -9.849 1.00 0.00 H new ATOM 0 HA VAL A 101 31.131 21.409 -10.016 1.00 0.00 H new ATOM 0 HB VAL A 101 32.295 22.914 -7.630 1.00 0.00 H new ATOM 0 HG11 VAL A 101 32.374 20.663 -6.592 1.00 0.00 H new ATOM 0 HG12 VAL A 101 30.703 21.120 -6.999 1.00 0.00 H new ATOM 0 HG13 VAL A 101 31.589 19.971 -8.031 1.00 0.00 H new ATOM 0 HG21 VAL A 101 34.270 21.462 -8.011 1.00 0.00 H new ATOM 0 HG22 VAL A 101 33.484 20.770 -9.450 1.00 0.00 H new ATOM 0 HG23 VAL A 101 33.949 22.488 -9.429 1.00 0.00 H new ATOM 1007 N GLN A 102 28.978 21.730 -8.697 1.00 0.00 N ATOM 1008 CA GLN A 102 27.628 22.036 -8.148 1.00 0.00 C ATOM 1009 C GLN A 102 27.545 21.567 -6.694 1.00 0.00 C ATOM 1010 O GLN A 102 28.022 20.505 -6.345 1.00 0.00 O ATOM 1011 CB GLN A 102 26.568 21.311 -8.980 1.00 0.00 C ATOM 1012 CG GLN A 102 25.181 21.808 -8.575 1.00 0.00 C ATOM 1013 CD GLN A 102 24.113 20.986 -9.300 1.00 0.00 C ATOM 1014 OE1 GLN A 102 23.992 19.797 -9.081 1.00 0.00 O ATOM 1015 NE2 GLN A 102 23.326 21.574 -10.159 1.00 0.00 N ATOM 0 H GLN A 102 29.133 20.754 -8.949 1.00 0.00 H new ATOM 0 HA GLN A 102 27.454 23.111 -8.189 1.00 0.00 H new ATOM 0 HB2 GLN A 102 26.736 21.492 -10.042 1.00 0.00 H new ATOM 0 HB3 GLN A 102 26.641 20.235 -8.825 1.00 0.00 H new ATOM 0 HG2 GLN A 102 25.052 21.721 -7.496 1.00 0.00 H new ATOM 0 HG3 GLN A 102 25.074 22.864 -8.824 1.00 0.00 H new ATOM 0 HE21 GLN A 102 23.427 22.572 -10.343 1.00 0.00 H new ATOM 0 HE22 GLN A 102 22.610 21.035 -10.646 1.00 0.00 H new ATOM 1024 N LEU A 103 26.941 22.351 -5.841 1.00 0.00 N ATOM 1025 CA LEU A 103 26.824 21.951 -4.410 1.00 0.00 C ATOM 1026 C LEU A 103 25.363 21.624 -4.092 1.00 0.00 C ATOM 1027 O LEU A 103 24.453 22.261 -4.586 1.00 0.00 O ATOM 1028 CB LEU A 103 27.294 23.100 -3.516 1.00 0.00 C ATOM 1029 CG LEU A 103 28.754 23.431 -3.832 1.00 0.00 C ATOM 1030 CD1 LEU A 103 29.146 24.733 -3.128 1.00 0.00 C ATOM 1031 CD2 LEU A 103 29.652 22.295 -3.340 1.00 0.00 C ATOM 0 H LEU A 103 26.523 23.252 -6.075 1.00 0.00 H new ATOM 0 HA LEU A 103 27.444 21.073 -4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 103 26.668 23.978 -3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 103 27.192 22.823 -2.467 1.00 0.00 H new ATOM 0 HG LEU A 103 28.875 23.550 -4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 103 30.186 24.969 -3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 103 28.506 25.543 -3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 103 29.025 24.615 -2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 103 30.692 22.530 -3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 103 29.531 22.176 -2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 103 29.373 21.368 -3.841 1.00 0.00 H new ATOM 1043 N LYS A 104 25.131 20.637 -3.271 1.00 0.00 N ATOM 1044 CA LYS A 104 23.728 20.273 -2.922 1.00 0.00 C ATOM 1045 C LYS A 104 23.565 20.275 -1.402 1.00 0.00 C ATOM 1046 O LYS A 104 24.282 19.601 -0.689 1.00 0.00 O ATOM 1047 CB LYS A 104 23.412 18.879 -3.468 1.00 0.00 C ATOM 1048 CG LYS A 104 23.484 18.905 -4.997 1.00 0.00 C ATOM 1049 CD LYS A 104 23.082 17.536 -5.550 1.00 0.00 C ATOM 1050 CE LYS A 104 23.317 17.509 -7.061 1.00 0.00 C ATOM 1051 NZ LYS A 104 24.721 17.092 -7.339 1.00 0.00 N ATOM 0 H LYS A 104 25.851 20.067 -2.827 1.00 0.00 H new ATOM 0 HA LYS A 104 23.044 20.998 -3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 104 24.120 18.152 -3.072 1.00 0.00 H new ATOM 0 HB3 LYS A 104 22.419 18.566 -3.145 1.00 0.00 H new ATOM 0 HG2 LYS A 104 22.822 19.677 -5.390 1.00 0.00 H new ATOM 0 HG3 LYS A 104 24.494 19.157 -5.320 1.00 0.00 H new ATOM 0 HD2 LYS A 104 23.664 16.751 -5.066 1.00 0.00 H new ATOM 0 HD3 LYS A 104 22.033 17.337 -5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 104 22.620 16.818 -7.536 1.00 0.00 H new ATOM 0 HE3 LYS A 104 23.128 18.494 -7.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 24.881 17.074 -8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 25.378 17.768 -6.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 24.886 16.143 -6.946 1.00 0.00 H new ATOM 1065 N VAL A 105 22.629 21.031 -0.898 1.00 0.00 N ATOM 1066 CA VAL A 105 22.421 21.079 0.577 1.00 0.00 C ATOM 1067 C VAL A 105 21.128 20.345 0.936 1.00 0.00 C ATOM 1068 O VAL A 105 20.190 20.304 0.165 1.00 0.00 O ATOM 1069 CB VAL A 105 22.323 22.538 1.029 1.00 0.00 C ATOM 1070 CG1 VAL A 105 22.380 22.603 2.555 1.00 0.00 C ATOM 1071 CG2 VAL A 105 23.491 23.333 0.440 1.00 0.00 C ATOM 0 H VAL A 105 21.999 21.618 -1.444 1.00 0.00 H new ATOM 0 HA VAL A 105 23.261 20.598 1.078 1.00 0.00 H new ATOM 0 HB VAL A 105 21.382 22.964 0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 105 22.310 23.642 2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 105 21.549 22.036 2.975 1.00 0.00 H new ATOM 0 HG13 VAL A 105 23.321 22.178 2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 105 23.422 24.372 0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 105 24.433 22.907 0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 105 23.451 23.286 -0.648 1.00 0.00 H new