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 Single : A 40 ASN : amide:sc= -0.91 K(o=-0.91,f=-2.6!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -155:sc= -0.466 (180deg=-2.28!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00179 USER MOD Single : A 59 SER OG : rot 73:sc= 0.687 USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -108:sc= -7.13! (180deg=-15.6!) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 75 CYS SG : rot 96:sc= -1.43 USER MOD Single : A 79 THR OG1 : rot 74:sc= -1.62! USER MOD Single : A 80 TYR OH : rot -10:sc= -7.18! USER MOD Single : A 82 LYS NZ :NH3+ -161:sc= -0.121 (180deg=-0.821) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 94 ASN : amide:sc= -0.804 K(o=-0.8,f=-6.4!) USER MOD Single : A 96 THR OG1 : rot -91:sc= 0.725 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N ASN A 40 21.636 22.364 14.223 1.00 0.00 N ATOM 79 CA ASN A 40 20.980 21.618 13.113 1.00 0.00 C ATOM 80 C ASN A 40 22.043 21.135 12.125 1.00 0.00 C ATOM 81 O ASN A 40 22.789 21.917 11.569 1.00 0.00 O ATOM 82 CB ASN A 40 19.994 22.540 12.393 1.00 0.00 C ATOM 83 CG ASN A 40 19.131 21.716 11.436 1.00 0.00 C ATOM 84 OD1 ASN A 40 19.199 20.503 11.432 1.00 0.00 O ATOM 85 ND2 ASN A 40 18.316 22.327 10.621 1.00 0.00 N ATOM 0 HA ASN A 40 20.445 20.759 13.518 1.00 0.00 H new ATOM 0 HB2 ASN A 40 19.363 23.053 13.119 1.00 0.00 H new ATOM 0 HB3 ASN A 40 20.535 23.309 11.841 1.00 0.00 H new ATOM 0 HD21 ASN A 40 17.735 21.786 9.980 1.00 0.00 H new ATOM 0 HD22 ASN A 40 18.259 23.345 10.625 1.00 0.00 H new ATOM 92 N THR A 41 22.121 19.851 11.903 1.00 0.00 N ATOM 93 CA THR A 41 23.138 19.321 10.951 1.00 0.00 C ATOM 94 C THR A 41 22.593 19.401 9.524 1.00 0.00 C ATOM 95 O THR A 41 21.433 19.143 9.277 1.00 0.00 O ATOM 96 CB THR A 41 23.448 17.862 11.298 1.00 0.00 C ATOM 97 OG1 THR A 41 23.879 17.780 12.648 1.00 0.00 O ATOM 98 CG2 THR A 41 24.550 17.339 10.376 1.00 0.00 C ATOM 0 H THR A 41 21.525 19.147 12.339 1.00 0.00 H new ATOM 0 HA THR A 41 24.049 19.915 11.025 1.00 0.00 H new ATOM 0 HB THR A 41 22.550 17.258 11.165 1.00 0.00 H new ATOM 0 HG1 THR A 41 24.076 16.847 12.872 1.00 0.00 H new ATOM 0 HG21 THR A 41 24.770 16.301 10.624 1.00 0.00 H new ATOM 0 HG22 THR A 41 24.218 17.402 9.340 1.00 0.00 H new ATOM 0 HG23 THR A 41 25.449 17.941 10.506 1.00 0.00 H new ATOM 106 N LEU A 42 23.425 19.756 8.582 1.00 0.00 N ATOM 107 CA LEU A 42 22.954 19.852 7.171 1.00 0.00 C ATOM 108 C LEU A 42 23.693 18.819 6.319 1.00 0.00 C ATOM 109 O LEU A 42 24.864 18.561 6.517 1.00 0.00 O ATOM 110 CB LEU A 42 23.235 21.256 6.633 1.00 0.00 C ATOM 111 CG LEU A 42 22.444 22.279 7.450 1.00 0.00 C ATOM 112 CD1 LEU A 42 23.303 22.777 8.613 1.00 0.00 C ATOM 113 CD2 LEU A 42 22.063 23.461 6.556 1.00 0.00 C ATOM 0 H LEU A 42 24.409 19.983 8.728 1.00 0.00 H new ATOM 0 HA LEU A 42 21.882 19.658 7.130 1.00 0.00 H new ATOM 0 HB2 LEU A 42 24.302 21.473 6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 42 22.954 21.318 5.582 1.00 0.00 H new ATOM 0 HG LEU A 42 21.540 21.811 7.840 1.00 0.00 H new ATOM 0 HD11 LEU A 42 22.740 23.506 9.195 1.00 0.00 H new ATOM 0 HD12 LEU A 42 23.575 21.936 9.250 1.00 0.00 H new ATOM 0 HD13 LEU A 42 24.207 23.245 8.223 1.00 0.00 H new ATOM 0 HD21 LEU A 42 21.499 24.190 7.138 1.00 0.00 H new ATOM 0 HD22 LEU A 42 22.967 23.929 6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 42 21.451 23.107 5.726 1.00 0.00 H new ATOM 125 N TYR A 43 23.018 18.228 5.371 1.00 0.00 N ATOM 126 CA TYR A 43 23.679 17.211 4.506 1.00 0.00 C ATOM 127 C TYR A 43 24.119 17.862 3.194 1.00 0.00 C ATOM 128 O TYR A 43 23.309 18.192 2.351 1.00 0.00 O ATOM 129 CB TYR A 43 22.694 16.079 4.209 1.00 0.00 C ATOM 130 CG TYR A 43 23.318 15.110 3.233 1.00 0.00 C ATOM 131 CD1 TYR A 43 24.113 14.058 3.704 1.00 0.00 C ATOM 132 CD2 TYR A 43 23.102 15.263 1.858 1.00 0.00 C ATOM 133 CE1 TYR A 43 24.691 13.158 2.800 1.00 0.00 C ATOM 134 CE2 TYR A 43 23.680 14.363 0.954 1.00 0.00 C ATOM 135 CZ TYR A 43 24.475 13.312 1.425 1.00 0.00 C ATOM 136 OH TYR A 43 25.044 12.425 0.534 1.00 0.00 O ATOM 0 H TYR A 43 22.036 18.406 5.158 1.00 0.00 H new ATOM 0 HA TYR A 43 24.552 16.809 5.020 1.00 0.00 H new ATOM 0 HB2 TYR A 43 22.429 15.562 5.131 1.00 0.00 H new ATOM 0 HB3 TYR A 43 21.771 16.485 3.795 1.00 0.00 H new ATOM 0 HD1 TYR A 43 24.280 13.941 4.764 1.00 0.00 H new ATOM 0 HD2 TYR A 43 22.490 16.075 1.495 1.00 0.00 H new ATOM 0 HE1 TYR A 43 25.303 12.346 3.163 1.00 0.00 H new ATOM 0 HE2 TYR A 43 23.512 14.480 -0.106 1.00 0.00 H new ATOM 0 HH TYR A 43 24.794 12.674 -0.380 1.00 0.00 H new ATOM 146 N VAL A 44 25.397 18.050 3.015 1.00 0.00 N ATOM 147 CA VAL A 44 25.890 18.680 1.757 1.00 0.00 C ATOM 148 C VAL A 44 26.520 17.608 0.866 1.00 0.00 C ATOM 149 O VAL A 44 27.260 16.761 1.326 1.00 0.00 O ATOM 150 CB VAL A 44 26.936 19.743 2.096 1.00 0.00 C ATOM 151 CG1 VAL A 44 27.517 20.321 0.805 1.00 0.00 C ATOM 152 CG2 VAL A 44 26.279 20.865 2.904 1.00 0.00 C ATOM 0 H VAL A 44 26.122 17.795 3.685 1.00 0.00 H new ATOM 0 HA VAL A 44 25.057 19.146 1.231 1.00 0.00 H new ATOM 0 HB VAL A 44 27.735 19.290 2.683 1.00 0.00 H new ATOM 0 HG11 VAL A 44 28.262 21.078 1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 44 27.985 19.524 0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 44 26.718 20.774 0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 44 27.024 21.623 3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 44 25.479 21.316 2.316 1.00 0.00 H new ATOM 0 HG23 VAL A 44 25.865 20.456 3.826 1.00 0.00 H new ATOM 162 N TYR A 45 26.234 17.635 -0.407 1.00 0.00 N ATOM 163 CA TYR A 45 26.817 16.616 -1.323 1.00 0.00 C ATOM 164 C TYR A 45 27.582 17.317 -2.447 1.00 0.00 C ATOM 165 O TYR A 45 27.087 18.233 -3.074 1.00 0.00 O ATOM 166 CB TYR A 45 25.694 15.767 -1.922 1.00 0.00 C ATOM 167 CG TYR A 45 26.281 14.752 -2.873 1.00 0.00 C ATOM 168 CD1 TYR A 45 26.696 13.503 -2.395 1.00 0.00 C ATOM 169 CD2 TYR A 45 26.410 15.059 -4.233 1.00 0.00 C ATOM 170 CE1 TYR A 45 27.239 12.560 -3.278 1.00 0.00 C ATOM 171 CE2 TYR A 45 26.954 14.118 -5.114 1.00 0.00 C ATOM 172 CZ TYR A 45 27.368 12.868 -4.637 1.00 0.00 C ATOM 173 OH TYR A 45 27.903 11.940 -5.506 1.00 0.00 O ATOM 0 H TYR A 45 25.622 18.319 -0.852 1.00 0.00 H new ATOM 0 HA TYR A 45 27.499 15.975 -0.765 1.00 0.00 H new ATOM 0 HB2 TYR A 45 25.143 15.262 -1.129 1.00 0.00 H new ATOM 0 HB3 TYR A 45 24.983 16.404 -2.447 1.00 0.00 H new ATOM 0 HD1 TYR A 45 26.598 13.266 -1.346 1.00 0.00 H new ATOM 0 HD2 TYR A 45 26.090 16.022 -4.602 1.00 0.00 H new ATOM 0 HE1 TYR A 45 27.558 11.596 -2.910 1.00 0.00 H new ATOM 0 HE2 TYR A 45 27.055 14.356 -6.163 1.00 0.00 H new ATOM 0 HH TYR A 45 27.921 12.313 -6.412 1.00 0.00 H new ATOM 183 N GLY A 46 28.789 16.894 -2.707 1.00 0.00 N ATOM 184 CA GLY A 46 29.588 17.534 -3.791 1.00 0.00 C ATOM 185 C GLY A 46 30.951 16.848 -3.890 1.00 0.00 C ATOM 186 O GLY A 46 31.214 15.868 -3.222 1.00 0.00 O ATOM 0 H GLY A 46 29.257 16.132 -2.215 1.00 0.00 H new ATOM 0 HA2 GLY A 46 29.060 17.457 -4.741 1.00 0.00 H new ATOM 0 HA3 GLY A 46 29.717 18.596 -3.584 1.00 0.00 H new ATOM 190 N GLU A 47 31.823 17.356 -4.719 1.00 0.00 N ATOM 191 CA GLU A 47 33.168 16.731 -4.860 1.00 0.00 C ATOM 192 C GLU A 47 34.247 17.759 -4.514 1.00 0.00 C ATOM 193 O GLU A 47 34.030 18.952 -4.595 1.00 0.00 O ATOM 194 CB GLU A 47 33.362 16.256 -6.302 1.00 0.00 C ATOM 195 CG GLU A 47 32.282 15.230 -6.651 1.00 0.00 C ATOM 196 CD GLU A 47 32.512 14.710 -8.072 1.00 0.00 C ATOM 197 OE1 GLU A 47 33.344 15.277 -8.762 1.00 0.00 O ATOM 198 OE2 GLU A 47 31.854 13.754 -8.445 1.00 0.00 O ATOM 0 H GLU A 47 31.662 18.176 -5.304 1.00 0.00 H new ATOM 0 HA GLU A 47 33.245 15.880 -4.183 1.00 0.00 H new ATOM 0 HB2 GLU A 47 33.308 17.103 -6.986 1.00 0.00 H new ATOM 0 HB3 GLU A 47 34.351 15.813 -6.420 1.00 0.00 H new ATOM 0 HG2 GLU A 47 32.308 14.403 -5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 47 31.295 15.685 -6.574 1.00 0.00 H new ATOM 205 N ASP A 48 35.409 17.307 -4.127 1.00 0.00 N ATOM 206 CA ASP A 48 36.500 18.259 -3.776 1.00 0.00 C ATOM 207 C ASP A 48 35.944 19.362 -2.872 1.00 0.00 C ATOM 208 O ASP A 48 36.106 20.536 -3.137 1.00 0.00 O ATOM 209 CB ASP A 48 37.063 18.884 -5.054 1.00 0.00 C ATOM 210 CG ASP A 48 38.291 19.731 -4.711 1.00 0.00 C ATOM 211 OD1 ASP A 48 38.699 19.707 -3.562 1.00 0.00 O ATOM 212 OD2 ASP A 48 38.801 20.387 -5.603 1.00 0.00 O ATOM 0 H ASP A 48 35.649 16.320 -4.039 1.00 0.00 H new ATOM 0 HA ASP A 48 37.293 17.725 -3.253 1.00 0.00 H new ATOM 0 HB2 ASP A 48 37.334 18.103 -5.764 1.00 0.00 H new ATOM 0 HB3 ASP A 48 36.304 19.502 -5.534 1.00 0.00 H new ATOM 217 N MET A 49 35.290 18.993 -1.805 1.00 0.00 N ATOM 218 CA MET A 49 34.723 20.019 -0.886 1.00 0.00 C ATOM 219 C MET A 49 35.593 20.119 0.369 1.00 0.00 C ATOM 220 O MET A 49 36.059 19.126 0.893 1.00 0.00 O ATOM 221 CB MET A 49 33.301 19.621 -0.490 1.00 0.00 C ATOM 222 CG MET A 49 32.397 19.664 -1.723 1.00 0.00 C ATOM 223 SD MET A 49 30.685 19.346 -1.228 1.00 0.00 S ATOM 224 CE MET A 49 30.974 17.751 -0.425 1.00 0.00 C ATOM 0 H MET A 49 35.124 18.025 -1.530 1.00 0.00 H new ATOM 0 HA MET A 49 34.702 20.985 -1.391 1.00 0.00 H new ATOM 0 HB2 MET A 49 33.299 18.620 -0.059 1.00 0.00 H new ATOM 0 HB3 MET A 49 32.922 20.298 0.276 1.00 0.00 H new ATOM 0 HG2 MET A 49 32.472 20.637 -2.208 1.00 0.00 H new ATOM 0 HG3 MET A 49 32.721 18.920 -2.451 1.00 0.00 H new ATOM 0 HE1 MET A 49 30.054 17.166 -0.436 1.00 0.00 H new ATOM 0 HE2 MET A 49 31.755 17.210 -0.960 1.00 0.00 H new ATOM 0 HE3 MET A 49 31.287 17.914 0.606 1.00 0.00 H new ATOM 234 N THR A 50 35.817 21.309 0.856 1.00 0.00 N ATOM 235 CA THR A 50 36.657 21.470 2.076 1.00 0.00 C ATOM 236 C THR A 50 35.843 22.173 3.165 1.00 0.00 C ATOM 237 O THR A 50 34.792 22.724 2.907 1.00 0.00 O ATOM 238 CB THR A 50 37.893 22.308 1.740 1.00 0.00 C ATOM 239 OG1 THR A 50 37.667 23.012 0.526 1.00 0.00 O ATOM 240 CG2 THR A 50 39.106 21.392 1.582 1.00 0.00 C ATOM 0 H THR A 50 35.454 22.177 0.461 1.00 0.00 H new ATOM 0 HA THR A 50 36.971 20.489 2.433 1.00 0.00 H new ATOM 0 HB THR A 50 38.081 23.019 2.545 1.00 0.00 H new ATOM 0 HG1 THR A 50 38.456 23.551 0.309 1.00 0.00 H new ATOM 0 HG21 THR A 50 39.985 21.990 1.343 1.00 0.00 H new ATOM 0 HG22 THR A 50 39.277 20.851 2.513 1.00 0.00 H new ATOM 0 HG23 THR A 50 38.922 20.680 0.778 1.00 0.00 H new ATOM 248 N PRO A 51 36.346 22.150 4.408 1.00 0.00 N ATOM 249 CA PRO A 51 35.671 22.785 5.546 1.00 0.00 C ATOM 250 C PRO A 51 35.709 24.314 5.453 1.00 0.00 C ATOM 251 O PRO A 51 34.688 24.972 5.481 1.00 0.00 O ATOM 252 CB PRO A 51 36.479 22.311 6.753 1.00 0.00 C ATOM 253 CG PRO A 51 37.830 21.995 6.204 1.00 0.00 C ATOM 254 CD PRO A 51 37.611 21.505 4.799 1.00 0.00 C ATOM 0 HA PRO A 51 34.615 22.519 5.594 1.00 0.00 H new ATOM 0 HB2 PRO A 51 36.534 23.083 7.521 1.00 0.00 H new ATOM 0 HB3 PRO A 51 36.024 21.435 7.215 1.00 0.00 H new ATOM 0 HG2 PRO A 51 38.469 22.878 6.213 1.00 0.00 H new ATOM 0 HG3 PRO A 51 38.327 21.236 6.808 1.00 0.00 H new ATOM 0 HD2 PRO A 51 38.430 21.794 4.140 1.00 0.00 H new ATOM 0 HD3 PRO A 51 37.538 20.418 4.759 1.00 0.00 H new ATOM 262 N THR A 52 36.877 24.884 5.340 1.00 0.00 N ATOM 263 CA THR A 52 36.972 26.368 5.243 1.00 0.00 C ATOM 264 C THR A 52 35.987 26.869 4.187 1.00 0.00 C ATOM 265 O THR A 52 35.212 27.775 4.426 1.00 0.00 O ATOM 266 CB THR A 52 38.396 26.764 4.846 1.00 0.00 C ATOM 267 OG1 THR A 52 39.322 26.133 5.718 1.00 0.00 O ATOM 268 CG2 THR A 52 38.551 28.282 4.945 1.00 0.00 C ATOM 0 H THR A 52 37.768 24.388 5.311 1.00 0.00 H new ATOM 0 HA THR A 52 36.730 26.814 6.208 1.00 0.00 H new ATOM 0 HB THR A 52 38.589 26.448 3.821 1.00 0.00 H new ATOM 0 HG1 THR A 52 40.234 26.384 5.464 1.00 0.00 H new ATOM 0 HG21 THR A 52 39.565 28.563 4.662 1.00 0.00 H new ATOM 0 HG22 THR A 52 37.840 28.765 4.274 1.00 0.00 H new ATOM 0 HG23 THR A 52 38.358 28.601 5.969 1.00 0.00 H new ATOM 276 N LEU A 53 36.005 26.285 3.019 1.00 0.00 N ATOM 277 CA LEU A 53 35.065 26.727 1.952 1.00 0.00 C ATOM 278 C LEU A 53 33.629 26.588 2.459 1.00 0.00 C ATOM 279 O LEU A 53 32.840 27.509 2.381 1.00 0.00 O ATOM 280 CB LEU A 53 35.255 25.856 0.708 1.00 0.00 C ATOM 281 CG LEU A 53 34.403 26.410 -0.435 1.00 0.00 C ATOM 282 CD1 LEU A 53 35.029 27.704 -0.958 1.00 0.00 C ATOM 283 CD2 LEU A 53 34.337 25.382 -1.567 1.00 0.00 C ATOM 0 H LEU A 53 36.630 25.522 2.759 1.00 0.00 H new ATOM 0 HA LEU A 53 35.265 27.768 1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 53 36.306 25.840 0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 53 34.969 24.827 0.924 1.00 0.00 H new ATOM 0 HG LEU A 53 33.396 26.615 -0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 53 34.422 28.099 -1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 53 35.076 28.437 -0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 53 36.036 27.500 -1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 53 33.730 25.776 -2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 53 35.344 25.177 -1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 53 33.890 24.460 -1.195 1.00 0.00 H new ATOM 295 N LEU A 54 33.285 25.444 2.984 1.00 0.00 N ATOM 296 CA LEU A 54 31.903 25.248 3.501 1.00 0.00 C ATOM 297 C LEU A 54 31.598 26.324 4.545 1.00 0.00 C ATOM 298 O LEU A 54 30.539 26.919 4.547 1.00 0.00 O ATOM 299 CB LEU A 54 31.788 23.864 4.145 1.00 0.00 C ATOM 300 CG LEU A 54 32.017 22.787 3.083 1.00 0.00 C ATOM 301 CD1 LEU A 54 32.585 21.530 3.744 1.00 0.00 C ATOM 302 CD2 LEU A 54 30.689 22.449 2.403 1.00 0.00 C ATOM 0 H LEU A 54 33.902 24.637 3.077 1.00 0.00 H new ATOM 0 HA LEU A 54 31.191 25.323 2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 54 32.520 23.762 4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 54 30.803 23.742 4.596 1.00 0.00 H new ATOM 0 HG LEU A 54 32.722 23.157 2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 54 32.748 20.763 2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 54 33.532 21.770 4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 54 31.880 21.161 4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 54 30.853 21.682 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.983 22.080 3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.284 23.344 1.930 1.00 0.00 H new ATOM 314 N ARG A 55 32.520 26.581 5.431 1.00 0.00 N ATOM 315 CA ARG A 55 32.284 27.621 6.471 1.00 0.00 C ATOM 316 C ARG A 55 31.825 28.914 5.798 1.00 0.00 C ATOM 317 O ARG A 55 30.968 29.616 6.297 1.00 0.00 O ATOM 318 CB ARG A 55 33.582 27.879 7.240 1.00 0.00 C ATOM 319 CG ARG A 55 33.871 26.697 8.167 1.00 0.00 C ATOM 320 CD ARG A 55 35.106 27.003 9.016 1.00 0.00 C ATOM 321 NE ARG A 55 35.606 25.745 9.638 1.00 0.00 N ATOM 322 CZ ARG A 55 36.659 25.772 10.408 1.00 0.00 C ATOM 323 NH1 ARG A 55 37.847 25.905 9.884 1.00 0.00 N ATOM 324 NH2 ARG A 55 36.525 25.666 11.702 1.00 0.00 N ATOM 0 H ARG A 55 33.426 26.116 5.480 1.00 0.00 H new ATOM 0 HA ARG A 55 31.516 27.277 7.163 1.00 0.00 H new ATOM 0 HB2 ARG A 55 34.408 28.018 6.543 1.00 0.00 H new ATOM 0 HB3 ARG A 55 33.496 28.797 7.821 1.00 0.00 H new ATOM 0 HG2 ARG A 55 33.012 26.508 8.811 1.00 0.00 H new ATOM 0 HG3 ARG A 55 34.035 25.793 7.580 1.00 0.00 H new ATOM 0 HD2 ARG A 55 35.884 27.449 8.397 1.00 0.00 H new ATOM 0 HD3 ARG A 55 34.858 27.730 9.789 1.00 0.00 H new ATOM 0 HE ARG A 55 35.125 24.863 9.462 1.00 0.00 H new ATOM 0 HH11 ARG A 55 37.952 25.988 8.873 1.00 0.00 H new ATOM 0 HH12 ARG A 55 38.670 25.926 10.486 1.00 0.00 H new ATOM 0 HH21 ARG A 55 35.597 25.562 12.112 1.00 0.00 H new ATOM 0 HH22 ARG A 55 37.349 25.687 12.303 1.00 0.00 H new ATOM 338 N GLY A 56 32.390 29.235 4.666 1.00 0.00 N ATOM 339 CA GLY A 56 31.985 30.483 3.959 1.00 0.00 C ATOM 340 C GLY A 56 30.564 30.323 3.413 1.00 0.00 C ATOM 341 O GLY A 56 29.805 31.269 3.349 1.00 0.00 O ATOM 0 H GLY A 56 33.114 28.687 4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.030 31.331 4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 56 32.678 30.693 3.144 1.00 0.00 H new ATOM 345 N ALA A 57 30.199 29.133 3.019 1.00 0.00 N ATOM 346 CA ALA A 57 28.827 28.917 2.479 1.00 0.00 C ATOM 347 C ALA A 57 27.822 28.898 3.633 1.00 0.00 C ATOM 348 O ALA A 57 26.648 29.157 3.451 1.00 0.00 O ATOM 349 CB ALA A 57 28.775 27.580 1.736 1.00 0.00 C ATOM 0 H ALA A 57 30.791 28.303 3.048 1.00 0.00 H new ATOM 0 HA ALA A 57 28.576 29.725 1.791 1.00 0.00 H new ATOM 0 HB1 ALA A 57 27.771 27.422 1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 57 29.491 27.592 0.914 1.00 0.00 H new ATOM 0 HB3 ALA A 57 29.026 26.772 2.423 1.00 0.00 H new ATOM 355 N PHE A 58 28.273 28.595 4.818 1.00 0.00 N ATOM 356 CA PHE A 58 27.346 28.559 5.985 1.00 0.00 C ATOM 357 C PHE A 58 27.775 29.614 7.008 1.00 0.00 C ATOM 358 O PHE A 58 27.266 29.668 8.110 1.00 0.00 O ATOM 359 CB PHE A 58 27.397 27.173 6.631 1.00 0.00 C ATOM 360 CG PHE A 58 26.875 26.141 5.657 1.00 0.00 C ATOM 361 CD1 PHE A 58 27.753 25.510 4.770 1.00 0.00 C ATOM 362 CD2 PHE A 58 25.514 25.817 5.645 1.00 0.00 C ATOM 363 CE1 PHE A 58 27.270 24.553 3.869 1.00 0.00 C ATOM 364 CE2 PHE A 58 25.030 24.861 4.744 1.00 0.00 C ATOM 365 CZ PHE A 58 25.908 24.229 3.856 1.00 0.00 C ATOM 0 H PHE A 58 29.245 28.370 5.030 1.00 0.00 H new ATOM 0 HA PHE A 58 26.330 28.768 5.651 1.00 0.00 H new ATOM 0 HB2 PHE A 58 28.420 26.932 6.918 1.00 0.00 H new ATOM 0 HB3 PHE A 58 26.799 27.163 7.542 1.00 0.00 H new ATOM 0 HD1 PHE A 58 28.803 25.761 4.780 1.00 0.00 H new ATOM 0 HD2 PHE A 58 24.837 26.304 6.331 1.00 0.00 H new ATOM 0 HE1 PHE A 58 27.948 24.065 3.184 1.00 0.00 H new ATOM 0 HE2 PHE A 58 23.979 24.611 4.734 1.00 0.00 H new ATOM 0 HZ PHE A 58 25.535 23.491 3.161 1.00 0.00 H new ATOM 375 N SER A 59 28.713 30.450 6.654 1.00 0.00 N ATOM 376 CA SER A 59 29.183 31.497 7.606 1.00 0.00 C ATOM 377 C SER A 59 28.145 32.620 7.707 1.00 0.00 C ATOM 378 O SER A 59 27.664 32.935 8.778 1.00 0.00 O ATOM 379 CB SER A 59 30.509 32.077 7.108 1.00 0.00 C ATOM 380 OG SER A 59 31.570 31.597 7.921 1.00 0.00 O ATOM 0 H SER A 59 29.175 30.453 5.745 1.00 0.00 H new ATOM 0 HA SER A 59 29.321 31.048 8.590 1.00 0.00 H new ATOM 0 HB2 SER A 59 30.675 31.793 6.069 1.00 0.00 H new ATOM 0 HB3 SER A 59 30.477 33.166 7.139 1.00 0.00 H new ATOM 0 HG SER A 59 31.734 30.652 7.721 1.00 0.00 H new ATOM 386 N PRO A 60 27.802 33.242 6.568 1.00 0.00 N ATOM 387 CA PRO A 60 26.827 34.340 6.528 1.00 0.00 C ATOM 388 C PRO A 60 25.402 33.860 6.820 1.00 0.00 C ATOM 389 O PRO A 60 24.564 34.615 7.270 1.00 0.00 O ATOM 390 CB PRO A 60 26.922 34.850 5.090 1.00 0.00 C ATOM 391 CG PRO A 60 27.422 33.683 4.310 1.00 0.00 C ATOM 392 CD PRO A 60 28.333 32.922 5.231 1.00 0.00 C ATOM 0 HA PRO A 60 27.040 35.098 7.282 1.00 0.00 H new ATOM 0 HB2 PRO A 60 25.952 35.186 4.723 1.00 0.00 H new ATOM 0 HB3 PRO A 60 27.602 35.698 5.014 1.00 0.00 H new ATOM 0 HG2 PRO A 60 26.596 33.056 3.975 1.00 0.00 H new ATOM 0 HG3 PRO A 60 27.956 34.011 3.418 1.00 0.00 H new ATOM 0 HD2 PRO A 60 28.304 31.851 5.032 1.00 0.00 H new ATOM 0 HD3 PRO A 60 29.371 33.238 5.123 1.00 0.00 H new ATOM 400 N PHE A 61 25.120 32.611 6.569 1.00 0.00 N ATOM 401 CA PHE A 61 23.749 32.092 6.835 1.00 0.00 C ATOM 402 C PHE A 61 23.537 31.960 8.345 1.00 0.00 C ATOM 403 O PHE A 61 22.428 32.038 8.834 1.00 0.00 O ATOM 404 CB PHE A 61 23.587 30.720 6.176 1.00 0.00 C ATOM 405 CG PHE A 61 23.413 30.894 4.685 1.00 0.00 C ATOM 406 CD1 PHE A 61 22.135 31.074 4.146 1.00 0.00 C ATOM 407 CD2 PHE A 61 24.532 30.873 3.844 1.00 0.00 C ATOM 408 CE1 PHE A 61 21.975 31.233 2.764 1.00 0.00 C ATOM 409 CE2 PHE A 61 24.372 31.032 2.463 1.00 0.00 C ATOM 410 CZ PHE A 61 23.094 31.213 1.922 1.00 0.00 C ATOM 0 H PHE A 61 25.778 31.929 6.192 1.00 0.00 H new ATOM 0 HA PHE A 61 23.013 32.783 6.424 1.00 0.00 H new ATOM 0 HB2 PHE A 61 24.460 30.101 6.381 1.00 0.00 H new ATOM 0 HB3 PHE A 61 22.724 30.203 6.596 1.00 0.00 H new ATOM 0 HD1 PHE A 61 21.272 31.090 4.795 1.00 0.00 H new ATOM 0 HD2 PHE A 61 25.519 30.734 4.261 1.00 0.00 H new ATOM 0 HE1 PHE A 61 20.988 31.371 2.347 1.00 0.00 H new ATOM 0 HE2 PHE A 61 25.235 31.015 1.814 1.00 0.00 H new ATOM 0 HZ PHE A 61 22.971 31.337 0.856 1.00 0.00 H new ATOM 420 N GLY A 62 24.592 31.762 9.087 1.00 0.00 N ATOM 421 CA GLY A 62 24.448 31.627 10.564 1.00 0.00 C ATOM 422 C GLY A 62 25.770 31.142 11.163 1.00 0.00 C ATOM 423 O GLY A 62 26.758 30.992 10.472 1.00 0.00 O ATOM 0 H GLY A 62 25.546 31.688 8.735 1.00 0.00 H new ATOM 0 HA2 GLY A 62 24.168 32.585 11.002 1.00 0.00 H new ATOM 0 HA3 GLY A 62 23.650 30.923 10.800 1.00 0.00 H new ATOM 427 N ASN A 63 25.795 30.893 12.444 1.00 0.00 N ATOM 428 CA ASN A 63 27.053 30.418 13.086 1.00 0.00 C ATOM 429 C ASN A 63 27.053 28.890 13.135 1.00 0.00 C ATOM 430 O ASN A 63 26.045 28.267 13.401 1.00 0.00 O ATOM 431 CB ASN A 63 27.143 30.974 14.507 1.00 0.00 C ATOM 432 CG ASN A 63 27.241 32.501 14.451 1.00 0.00 C ATOM 433 OD1 ASN A 63 27.531 33.064 13.415 1.00 0.00 O ATOM 434 ND2 ASN A 63 27.010 33.196 15.531 1.00 0.00 N ATOM 0 H ASN A 63 24.999 30.998 13.073 1.00 0.00 H new ATOM 0 HA ASN A 63 27.909 30.764 12.507 1.00 0.00 H new ATOM 0 HB2 ASN A 63 26.266 30.676 15.082 1.00 0.00 H new ATOM 0 HB3 ASN A 63 28.014 30.561 15.016 1.00 0.00 H new ATOM 0 HD21 ASN A 63 27.073 34.214 15.506 1.00 0.00 H new ATOM 0 HD22 ASN A 63 26.766 32.722 16.400 1.00 0.00 H new ATOM 441 N ILE A 64 28.178 28.280 12.880 1.00 0.00 N ATOM 442 CA ILE A 64 28.243 26.791 12.912 1.00 0.00 C ATOM 443 C ILE A 64 28.859 26.334 14.236 1.00 0.00 C ATOM 444 O ILE A 64 29.874 26.843 14.667 1.00 0.00 O ATOM 445 CB ILE A 64 29.103 26.294 11.750 1.00 0.00 C ATOM 446 CG1 ILE A 64 28.555 26.851 10.434 1.00 0.00 C ATOM 447 CG2 ILE A 64 29.071 24.765 11.709 1.00 0.00 C ATOM 448 CD1 ILE A 64 29.575 26.619 9.317 1.00 0.00 C ATOM 0 H ILE A 64 29.055 28.748 12.651 1.00 0.00 H new ATOM 0 HA ILE A 64 27.237 26.382 12.821 1.00 0.00 H new ATOM 0 HB ILE A 64 30.130 26.632 11.888 1.00 0.00 H new ATOM 0 HG12 ILE A 64 27.611 26.365 10.186 1.00 0.00 H new ATOM 0 HG13 ILE A 64 28.348 27.916 10.536 1.00 0.00 H new ATOM 0 HG21 ILE A 64 29.684 24.410 10.881 1.00 0.00 H new ATOM 0 HG22 ILE A 64 29.462 24.368 12.646 1.00 0.00 H new ATOM 0 HG23 ILE A 64 28.044 24.426 11.571 1.00 0.00 H new ATOM 0 HD11 ILE A 64 29.185 27.016 8.380 1.00 0.00 H new ATOM 0 HD12 ILE A 64 30.508 27.126 9.565 1.00 0.00 H new ATOM 0 HD13 ILE A 64 29.760 25.550 9.210 1.00 0.00 H new ATOM 460 N ILE A 65 28.252 25.377 14.883 1.00 0.00 N ATOM 461 CA ILE A 65 28.803 24.887 16.179 1.00 0.00 C ATOM 462 C ILE A 65 29.699 23.673 15.925 1.00 0.00 C ATOM 463 O ILE A 65 30.577 23.363 16.705 1.00 0.00 O ATOM 464 CB ILE A 65 27.653 24.487 17.104 1.00 0.00 C ATOM 465 CG1 ILE A 65 26.937 23.262 16.530 1.00 0.00 C ATOM 466 CG2 ILE A 65 26.663 25.648 17.220 1.00 0.00 C ATOM 467 CD1 ILE A 65 25.805 22.847 17.472 1.00 0.00 C ATOM 0 H ILE A 65 27.399 24.913 14.571 1.00 0.00 H new ATOM 0 HA ILE A 65 29.387 25.679 16.648 1.00 0.00 H new ATOM 0 HB ILE A 65 28.049 24.247 18.091 1.00 0.00 H new ATOM 0 HG12 ILE A 65 26.537 23.491 15.542 1.00 0.00 H new ATOM 0 HG13 ILE A 65 27.642 22.440 16.406 1.00 0.00 H new ATOM 0 HG21 ILE A 65 25.843 25.363 17.879 1.00 0.00 H new ATOM 0 HG22 ILE A 65 27.172 26.520 17.630 1.00 0.00 H new ATOM 0 HG23 ILE A 65 26.268 25.889 16.233 1.00 0.00 H new ATOM 0 HD11 ILE A 65 25.294 21.975 17.065 1.00 0.00 H new ATOM 0 HD12 ILE A 65 26.218 22.602 18.451 1.00 0.00 H new ATOM 0 HD13 ILE A 65 25.096 23.669 17.573 1.00 0.00 H new ATOM 479 N ASP A 66 29.484 22.982 14.839 1.00 0.00 N ATOM 480 CA ASP A 66 30.324 21.789 14.538 1.00 0.00 C ATOM 481 C ASP A 66 30.481 21.642 13.023 1.00 0.00 C ATOM 482 O ASP A 66 29.535 21.788 12.274 1.00 0.00 O ATOM 483 CB ASP A 66 29.653 20.536 15.105 1.00 0.00 C ATOM 484 CG ASP A 66 30.616 19.350 14.999 1.00 0.00 C ATOM 485 OD1 ASP A 66 31.751 19.568 14.608 1.00 0.00 O ATOM 486 OD2 ASP A 66 30.201 18.246 15.312 1.00 0.00 O ATOM 0 H ASP A 66 28.764 23.192 14.148 1.00 0.00 H new ATOM 0 HA ASP A 66 31.306 21.914 14.994 1.00 0.00 H new ATOM 0 HB2 ASP A 66 29.373 20.699 16.146 1.00 0.00 H new ATOM 0 HB3 ASP A 66 28.735 20.323 14.558 1.00 0.00 H new ATOM 491 N LEU A 67 31.668 21.352 12.568 1.00 0.00 N ATOM 492 CA LEU A 67 31.888 21.195 11.103 1.00 0.00 C ATOM 493 C LEU A 67 32.396 19.779 10.817 1.00 0.00 C ATOM 494 O LEU A 67 33.482 19.408 11.217 1.00 0.00 O ATOM 495 CB LEU A 67 32.927 22.217 10.632 1.00 0.00 C ATOM 496 CG LEU A 67 33.036 22.180 9.104 1.00 0.00 C ATOM 497 CD1 LEU A 67 33.803 20.929 8.675 1.00 0.00 C ATOM 498 CD2 LEU A 67 31.636 22.154 8.486 1.00 0.00 C ATOM 0 H LEU A 67 32.496 21.217 13.148 1.00 0.00 H new ATOM 0 HA LEU A 67 30.951 21.360 10.571 1.00 0.00 H new ATOM 0 HB2 LEU A 67 32.643 23.216 10.961 1.00 0.00 H new ATOM 0 HB3 LEU A 67 33.896 21.997 11.080 1.00 0.00 H new ATOM 0 HG LEU A 67 33.566 23.069 8.761 1.00 0.00 H new ATOM 0 HD11 LEU A 67 33.880 20.904 7.588 1.00 0.00 H new ATOM 0 HD12 LEU A 67 34.803 20.948 9.109 1.00 0.00 H new ATOM 0 HD13 LEU A 67 33.274 20.041 9.022 1.00 0.00 H new ATOM 0 HD21 LEU A 67 31.718 22.128 7.399 1.00 0.00 H new ATOM 0 HD22 LEU A 67 31.102 21.268 8.831 1.00 0.00 H new ATOM 0 HD23 LEU A 67 31.089 23.047 8.787 1.00 0.00 H new ATOM 510 N SER A 68 31.621 18.987 10.128 1.00 0.00 N ATOM 511 CA SER A 68 32.064 17.598 9.820 1.00 0.00 C ATOM 512 C SER A 68 32.035 17.373 8.307 1.00 0.00 C ATOM 513 O SER A 68 31.149 17.837 7.618 1.00 0.00 O ATOM 514 CB SER A 68 31.125 16.601 10.502 1.00 0.00 C ATOM 515 OG SER A 68 31.144 16.818 11.905 1.00 0.00 O ATOM 0 H SER A 68 30.702 19.241 9.766 1.00 0.00 H new ATOM 0 HA SER A 68 33.080 17.452 10.188 1.00 0.00 H new ATOM 0 HB2 SER A 68 30.111 16.719 10.119 1.00 0.00 H new ATOM 0 HB3 SER A 68 31.435 15.580 10.277 1.00 0.00 H new ATOM 0 HG SER A 68 30.541 16.181 12.343 1.00 0.00 H new ATOM 521 N MET A 69 32.998 16.663 7.784 1.00 0.00 N ATOM 522 CA MET A 69 33.025 16.406 6.317 1.00 0.00 C ATOM 523 C MET A 69 33.212 14.909 6.066 1.00 0.00 C ATOM 524 O MET A 69 33.854 14.217 6.831 1.00 0.00 O ATOM 525 CB MET A 69 34.184 17.178 5.685 1.00 0.00 C ATOM 526 CG MET A 69 33.927 18.681 5.818 1.00 0.00 C ATOM 527 SD MET A 69 35.151 19.590 4.841 1.00 0.00 S ATOM 528 CE MET A 69 34.530 19.119 3.209 1.00 0.00 C ATOM 0 H MET A 69 33.768 16.250 8.311 1.00 0.00 H new ATOM 0 HA MET A 69 32.085 16.735 5.873 1.00 0.00 H new ATOM 0 HB2 MET A 69 35.121 16.914 6.175 1.00 0.00 H new ATOM 0 HB3 MET A 69 34.286 16.907 4.634 1.00 0.00 H new ATOM 0 HG2 MET A 69 32.921 18.921 5.474 1.00 0.00 H new ATOM 0 HG3 MET A 69 33.986 18.980 6.865 1.00 0.00 H new ATOM 0 HE1 MET A 69 35.219 18.412 2.747 1.00 0.00 H new ATOM 0 HE2 MET A 69 33.549 18.654 3.313 1.00 0.00 H new ATOM 0 HE3 MET A 69 34.446 20.006 2.582 1.00 0.00 H new ATOM 538 N ASP A 70 32.656 14.402 4.999 1.00 0.00 N ATOM 539 CA ASP A 70 32.804 12.949 4.704 1.00 0.00 C ATOM 540 C ASP A 70 33.401 12.769 3.306 1.00 0.00 C ATOM 541 O ASP A 70 32.718 12.893 2.309 1.00 0.00 O ATOM 542 CB ASP A 70 31.431 12.276 4.762 1.00 0.00 C ATOM 543 CG ASP A 70 31.478 11.104 5.744 1.00 0.00 C ATOM 544 OD1 ASP A 70 32.155 10.134 5.446 1.00 0.00 O ATOM 545 OD2 ASP A 70 30.835 11.195 6.776 1.00 0.00 O ATOM 0 H ASP A 70 32.107 14.930 4.321 1.00 0.00 H new ATOM 0 HA ASP A 70 33.465 12.494 5.442 1.00 0.00 H new ATOM 0 HB2 ASP A 70 30.674 12.996 5.074 1.00 0.00 H new ATOM 0 HB3 ASP A 70 31.145 11.923 3.771 1.00 0.00 H new ATOM 550 N PRO A 71 34.708 12.467 3.239 1.00 0.00 N ATOM 551 CA PRO A 71 35.405 12.267 1.968 1.00 0.00 C ATOM 552 C PRO A 71 35.076 10.921 1.289 1.00 0.00 C ATOM 553 O PRO A 71 35.147 10.817 0.081 1.00 0.00 O ATOM 554 CB PRO A 71 36.882 12.321 2.352 1.00 0.00 C ATOM 555 CG PRO A 71 36.931 11.936 3.794 1.00 0.00 C ATOM 556 CD PRO A 71 35.601 12.306 4.401 1.00 0.00 C ATOM 0 HA PRO A 71 35.107 13.019 1.238 1.00 0.00 H new ATOM 0 HB2 PRO A 71 37.472 11.636 1.742 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.292 13.319 2.198 1.00 0.00 H new ATOM 0 HG2 PRO A 71 37.118 10.868 3.901 1.00 0.00 H new ATOM 0 HG3 PRO A 71 37.744 12.454 4.303 1.00 0.00 H new ATOM 0 HD2 PRO A 71 35.241 11.529 5.076 1.00 0.00 H new ATOM 0 HD3 PRO A 71 35.670 13.226 4.981 1.00 0.00 H new ATOM 564 N PRO A 72 34.710 9.865 2.053 1.00 0.00 N ATOM 565 CA PRO A 72 34.389 8.564 1.457 1.00 0.00 C ATOM 566 C PRO A 72 33.010 8.571 0.793 1.00 0.00 C ATOM 567 O PRO A 72 32.777 7.887 -0.185 1.00 0.00 O ATOM 568 CB PRO A 72 34.386 7.608 2.646 1.00 0.00 C ATOM 569 CG PRO A 72 34.073 8.462 3.828 1.00 0.00 C ATOM 570 CD PRO A 72 34.583 9.845 3.525 1.00 0.00 C ATOM 0 HA PRO A 72 35.099 8.289 0.677 1.00 0.00 H new ATOM 0 HB2 PRO A 72 33.641 6.822 2.519 1.00 0.00 H new ATOM 0 HB3 PRO A 72 35.352 7.116 2.759 1.00 0.00 H new ATOM 0 HG2 PRO A 72 32.999 8.480 4.016 1.00 0.00 H new ATOM 0 HG3 PRO A 72 34.547 8.065 4.726 1.00 0.00 H new ATOM 0 HD2 PRO A 72 33.892 10.611 3.876 1.00 0.00 H new ATOM 0 HD3 PRO A 72 35.541 10.033 4.011 1.00 0.00 H new ATOM 578 N ARG A 73 32.092 9.340 1.315 1.00 0.00 N ATOM 579 CA ARG A 73 30.730 9.391 0.713 1.00 0.00 C ATOM 580 C ARG A 73 30.569 10.686 -0.086 1.00 0.00 C ATOM 581 O ARG A 73 29.550 10.921 -0.704 1.00 0.00 O ATOM 582 CB ARG A 73 29.680 9.345 1.824 1.00 0.00 C ATOM 583 CG ARG A 73 28.290 9.184 1.204 1.00 0.00 C ATOM 584 CD ARG A 73 27.233 9.198 2.311 1.00 0.00 C ATOM 585 NE ARG A 73 25.912 8.811 1.739 1.00 0.00 N ATOM 586 CZ ARG A 73 25.204 7.873 2.305 1.00 0.00 C ATOM 587 NH1 ARG A 73 25.794 6.819 2.800 1.00 0.00 N ATOM 588 NH2 ARG A 73 23.907 7.987 2.376 1.00 0.00 N ATOM 0 H ARG A 73 32.227 9.935 2.132 1.00 0.00 H new ATOM 0 HA ARG A 73 30.596 8.537 0.049 1.00 0.00 H new ATOM 0 HB2 ARG A 73 29.887 8.516 2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 73 29.722 10.258 2.417 1.00 0.00 H new ATOM 0 HG2 ARG A 73 28.101 9.990 0.495 1.00 0.00 H new ATOM 0 HG3 ARG A 73 28.235 8.249 0.646 1.00 0.00 H new ATOM 0 HD2 ARG A 73 27.514 8.507 3.106 1.00 0.00 H new ATOM 0 HD3 ARG A 73 27.172 10.190 2.758 1.00 0.00 H new ATOM 0 HE ARG A 73 25.561 9.280 0.904 1.00 0.00 H new ATOM 0 HH11 ARG A 73 26.808 6.729 2.744 1.00 0.00 H new ATOM 0 HH12 ARG A 73 25.241 6.085 3.243 1.00 0.00 H new ATOM 0 HH21 ARG A 73 23.445 8.810 1.989 1.00 0.00 H new ATOM 0 HH22 ARG A 73 23.354 7.253 2.819 1.00 0.00 H new ATOM 602 N ASN A 74 31.565 11.529 -0.078 1.00 0.00 N ATOM 603 CA ASN A 74 31.463 12.808 -0.837 1.00 0.00 C ATOM 604 C ASN A 74 30.316 13.645 -0.270 1.00 0.00 C ATOM 605 O ASN A 74 29.524 14.207 -1.001 1.00 0.00 O ATOM 606 CB ASN A 74 31.193 12.506 -2.312 1.00 0.00 C ATOM 607 CG ASN A 74 32.341 11.668 -2.881 1.00 0.00 C ATOM 608 OD1 ASN A 74 33.492 11.908 -2.575 1.00 0.00 O ATOM 609 ND2 ASN A 74 32.075 10.690 -3.702 1.00 0.00 N ATOM 0 H ASN A 74 32.444 11.388 0.420 1.00 0.00 H new ATOM 0 HA ASN A 74 32.398 13.361 -0.745 1.00 0.00 H new ATOM 0 HB2 ASN A 74 30.250 11.969 -2.417 1.00 0.00 H new ATOM 0 HB3 ASN A 74 31.095 13.436 -2.872 1.00 0.00 H new ATOM 0 HD21 ASN A 74 32.833 10.127 -4.087 1.00 0.00 H new ATOM 0 HD22 ASN A 74 31.109 10.488 -3.959 1.00 0.00 H new ATOM 616 N CYS A 75 30.218 13.732 1.028 1.00 0.00 N ATOM 617 CA CYS A 75 29.120 14.533 1.641 1.00 0.00 C ATOM 618 C CYS A 75 29.643 15.239 2.894 1.00 0.00 C ATOM 619 O CYS A 75 30.322 14.651 3.712 1.00 0.00 O ATOM 620 CB CYS A 75 27.965 13.605 2.024 1.00 0.00 C ATOM 621 SG CYS A 75 28.484 12.523 3.378 1.00 0.00 S ATOM 0 H CYS A 75 30.850 13.283 1.691 1.00 0.00 H new ATOM 0 HA CYS A 75 28.768 15.276 0.925 1.00 0.00 H new ATOM 0 HB2 CYS A 75 27.097 14.192 2.326 1.00 0.00 H new ATOM 0 HB3 CYS A 75 27.663 13.009 1.163 1.00 0.00 H new ATOM 0 HG CYS A 75 28.106 13.035 4.512 1.00 0.00 H new ATOM 627 N ALA A 76 29.332 16.496 3.049 1.00 0.00 N ATOM 628 CA ALA A 76 29.811 17.239 4.249 1.00 0.00 C ATOM 629 C ALA A 76 28.636 17.488 5.196 1.00 0.00 C ATOM 630 O ALA A 76 27.488 17.429 4.804 1.00 0.00 O ATOM 631 CB ALA A 76 30.409 18.579 3.814 1.00 0.00 C ATOM 0 H ALA A 76 28.767 17.041 2.397 1.00 0.00 H new ATOM 0 HA ALA A 76 30.572 16.651 4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 76 30.759 19.123 4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 76 31.246 18.402 3.139 1.00 0.00 H new ATOM 0 HB3 ALA A 76 29.648 19.168 3.302 1.00 0.00 H new ATOM 637 N PHE A 77 28.913 17.764 6.440 1.00 0.00 N ATOM 638 CA PHE A 77 27.811 18.015 7.410 1.00 0.00 C ATOM 639 C PHE A 77 28.059 19.339 8.135 1.00 0.00 C ATOM 640 O PHE A 77 29.136 19.591 8.637 1.00 0.00 O ATOM 641 CB PHE A 77 27.762 16.876 8.430 1.00 0.00 C ATOM 642 CG PHE A 77 27.337 15.603 7.741 1.00 0.00 C ATOM 643 CD1 PHE A 77 25.976 15.324 7.563 1.00 0.00 C ATOM 644 CD2 PHE A 77 28.303 14.700 7.279 1.00 0.00 C ATOM 645 CE1 PHE A 77 25.582 14.143 6.923 1.00 0.00 C ATOM 646 CE2 PHE A 77 27.907 13.519 6.639 1.00 0.00 C ATOM 647 CZ PHE A 77 26.547 13.240 6.461 1.00 0.00 C ATOM 0 H PHE A 77 29.855 17.827 6.827 1.00 0.00 H new ATOM 0 HA PHE A 77 26.862 18.067 6.876 1.00 0.00 H new ATOM 0 HB2 PHE A 77 28.741 16.744 8.891 1.00 0.00 H new ATOM 0 HB3 PHE A 77 27.063 17.120 9.230 1.00 0.00 H new ATOM 0 HD1 PHE A 77 25.231 16.020 7.919 1.00 0.00 H new ATOM 0 HD2 PHE A 77 29.353 14.914 7.416 1.00 0.00 H new ATOM 0 HE1 PHE A 77 24.533 13.928 6.785 1.00 0.00 H new ATOM 0 HE2 PHE A 77 28.652 12.823 6.282 1.00 0.00 H new ATOM 0 HZ PHE A 77 26.242 12.329 5.968 1.00 0.00 H new ATOM 657 N VAL A 78 27.070 20.190 8.195 1.00 0.00 N ATOM 658 CA VAL A 78 27.256 21.496 8.888 1.00 0.00 C ATOM 659 C VAL A 78 26.236 21.622 10.022 1.00 0.00 C ATOM 660 O VAL A 78 25.067 21.338 9.854 1.00 0.00 O ATOM 661 CB VAL A 78 27.057 22.639 7.891 1.00 0.00 C ATOM 662 CG1 VAL A 78 27.391 23.970 8.566 1.00 0.00 C ATOM 663 CG2 VAL A 78 27.978 22.434 6.687 1.00 0.00 C ATOM 0 H VAL A 78 26.144 20.037 7.795 1.00 0.00 H new ATOM 0 HA VAL A 78 28.264 21.547 9.299 1.00 0.00 H new ATOM 0 HB VAL A 78 26.020 22.651 7.557 1.00 0.00 H new ATOM 0 HG11 VAL A 78 27.249 24.784 7.855 1.00 0.00 H new ATOM 0 HG12 VAL A 78 26.734 24.118 9.423 1.00 0.00 H new ATOM 0 HG13 VAL A 78 28.428 23.958 8.901 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.836 23.249 5.977 1.00 0.00 H new ATOM 0 HG22 VAL A 78 29.016 22.421 7.021 1.00 0.00 H new ATOM 0 HG23 VAL A 78 27.740 21.486 6.204 1.00 0.00 H new ATOM 673 N THR A 79 26.671 22.045 11.179 1.00 0.00 N ATOM 674 CA THR A 79 25.728 22.189 12.324 1.00 0.00 C ATOM 675 C THR A 79 25.378 23.666 12.513 1.00 0.00 C ATOM 676 O THR A 79 26.244 24.517 12.568 1.00 0.00 O ATOM 677 CB THR A 79 26.387 21.653 13.597 1.00 0.00 C ATOM 678 OG1 THR A 79 27.051 20.431 13.305 1.00 0.00 O ATOM 679 CG2 THR A 79 25.320 21.415 14.666 1.00 0.00 C ATOM 0 H THR A 79 27.639 22.297 11.380 1.00 0.00 H new ATOM 0 HA THR A 79 24.819 21.624 12.120 1.00 0.00 H new ATOM 0 HB THR A 79 27.110 22.380 13.967 1.00 0.00 H new ATOM 0 HG1 THR A 79 27.872 20.617 12.803 1.00 0.00 H new ATOM 0 HG21 THR A 79 25.791 21.033 15.572 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.813 22.354 14.889 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.595 20.688 14.301 1.00 0.00 H new ATOM 687 N TYR A 80 24.114 23.981 12.610 1.00 0.00 N ATOM 688 CA TYR A 80 23.713 25.405 12.794 1.00 0.00 C ATOM 689 C TYR A 80 23.149 25.599 14.202 1.00 0.00 C ATOM 690 O TYR A 80 22.379 24.796 14.690 1.00 0.00 O ATOM 691 CB TYR A 80 22.643 25.772 11.763 1.00 0.00 C ATOM 692 CG TYR A 80 23.289 26.457 10.583 1.00 0.00 C ATOM 693 CD1 TYR A 80 24.282 27.423 10.788 1.00 0.00 C ATOM 694 CD2 TYR A 80 22.893 26.126 9.282 1.00 0.00 C ATOM 695 CE1 TYR A 80 24.878 28.057 9.692 1.00 0.00 C ATOM 696 CE2 TYR A 80 23.489 26.760 8.187 1.00 0.00 C ATOM 697 CZ TYR A 80 24.481 27.726 8.391 1.00 0.00 C ATOM 698 OH TYR A 80 25.070 28.351 7.311 1.00 0.00 O ATOM 0 H TYR A 80 23.343 23.314 12.570 1.00 0.00 H new ATOM 0 HA TYR A 80 24.584 26.047 12.659 1.00 0.00 H new ATOM 0 HB2 TYR A 80 22.119 24.875 11.433 1.00 0.00 H new ATOM 0 HB3 TYR A 80 21.899 26.428 12.214 1.00 0.00 H new ATOM 0 HD1 TYR A 80 24.588 27.679 11.792 1.00 0.00 H new ATOM 0 HD2 TYR A 80 22.127 25.381 9.124 1.00 0.00 H new ATOM 0 HE1 TYR A 80 25.644 28.802 9.850 1.00 0.00 H new ATOM 0 HE2 TYR A 80 23.183 26.504 7.183 1.00 0.00 H new ATOM 0 HH TYR A 80 25.618 29.100 7.625 1.00 0.00 H new ATOM 708 N GLU A 81 23.525 26.662 14.860 1.00 0.00 N ATOM 709 CA GLU A 81 23.011 26.908 16.235 1.00 0.00 C ATOM 710 C GLU A 81 21.481 26.883 16.219 1.00 0.00 C ATOM 711 O GLU A 81 20.845 26.552 17.200 1.00 0.00 O ATOM 712 CB GLU A 81 23.493 28.276 16.722 1.00 0.00 C ATOM 713 CG GLU A 81 23.165 28.434 18.208 1.00 0.00 C ATOM 714 CD GLU A 81 23.561 29.838 18.671 1.00 0.00 C ATOM 715 OE1 GLU A 81 24.079 30.584 17.855 1.00 0.00 O ATOM 716 OE2 GLU A 81 23.341 30.143 19.831 1.00 0.00 O ATOM 0 H GLU A 81 24.166 27.370 14.503 1.00 0.00 H new ATOM 0 HA GLU A 81 23.381 26.132 16.906 1.00 0.00 H new ATOM 0 HB2 GLU A 81 24.567 28.372 16.564 1.00 0.00 H new ATOM 0 HB3 GLU A 81 23.014 29.068 16.147 1.00 0.00 H new ATOM 0 HG2 GLU A 81 22.100 28.271 18.376 1.00 0.00 H new ATOM 0 HG3 GLU A 81 23.698 27.683 18.791 1.00 0.00 H new ATOM 723 N LYS A 82 20.884 27.234 15.113 1.00 0.00 N ATOM 724 CA LYS A 82 19.396 27.231 15.035 1.00 0.00 C ATOM 725 C LYS A 82 18.953 26.600 13.714 1.00 0.00 C ATOM 726 O LYS A 82 19.631 26.696 12.710 1.00 0.00 O ATOM 727 CB LYS A 82 18.879 28.670 15.111 1.00 0.00 C ATOM 728 CG LYS A 82 19.233 29.268 16.473 1.00 0.00 C ATOM 729 CD LYS A 82 18.615 30.662 16.594 1.00 0.00 C ATOM 730 CE LYS A 82 19.117 31.334 17.873 1.00 0.00 C ATOM 731 NZ LYS A 82 19.066 30.359 18.999 1.00 0.00 N ATOM 0 H LYS A 82 21.363 27.523 14.260 1.00 0.00 H new ATOM 0 HA LYS A 82 18.991 26.653 15.866 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.320 29.269 14.314 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.799 28.688 14.964 1.00 0.00 H new ATOM 0 HG2 LYS A 82 18.864 28.624 17.272 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.316 29.327 16.586 1.00 0.00 H new ATOM 0 HD2 LYS A 82 18.880 31.265 15.726 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.528 30.589 16.612 1.00 0.00 H new ATOM 0 HE2 LYS A 82 20.137 31.691 17.733 1.00 0.00 H new ATOM 0 HE3 LYS A 82 18.504 32.205 18.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 19.090 30.872 19.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 18.188 29.805 18.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 19.884 29.719 18.942 1.00 0.00 H new ATOM 745 N MET A 83 17.819 25.955 13.704 1.00 0.00 N ATOM 746 CA MET A 83 17.333 25.317 12.447 1.00 0.00 C ATOM 747 C MET A 83 16.972 26.403 11.430 1.00 0.00 C ATOM 748 O MET A 83 16.920 26.160 10.240 1.00 0.00 O ATOM 749 CB MET A 83 16.094 24.471 12.748 1.00 0.00 C ATOM 750 CG MET A 83 16.459 23.373 13.750 1.00 0.00 C ATOM 751 SD MET A 83 14.965 22.469 14.224 1.00 0.00 S ATOM 752 CE MET A 83 15.768 21.244 15.286 1.00 0.00 C ATOM 0 H MET A 83 17.207 25.842 14.512 1.00 0.00 H new ATOM 0 HA MET A 83 18.117 24.680 12.038 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.301 25.099 13.153 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.711 24.027 11.829 1.00 0.00 H new ATOM 0 HG2 MET A 83 17.186 22.690 13.309 1.00 0.00 H new ATOM 0 HG3 MET A 83 16.927 23.811 14.632 1.00 0.00 H new ATOM 0 HE1 MET A 83 15.017 20.568 15.695 1.00 0.00 H new ATOM 0 HE2 MET A 83 16.490 20.673 14.702 1.00 0.00 H new ATOM 0 HE3 MET A 83 16.282 21.751 16.102 1.00 0.00 H new ATOM 762 N GLU A 84 16.724 27.600 11.888 1.00 0.00 N ATOM 763 CA GLU A 84 16.366 28.698 10.946 1.00 0.00 C ATOM 764 C GLU A 84 17.574 29.029 10.066 1.00 0.00 C ATOM 765 O GLU A 84 17.445 29.246 8.878 1.00 0.00 O ATOM 766 CB GLU A 84 15.958 29.940 11.742 1.00 0.00 C ATOM 767 CG GLU A 84 14.670 29.651 12.514 1.00 0.00 C ATOM 768 CD GLU A 84 14.222 30.914 13.252 1.00 0.00 C ATOM 769 OE1 GLU A 84 14.980 31.869 13.263 1.00 0.00 O ATOM 770 OE2 GLU A 84 13.129 30.904 13.792 1.00 0.00 O ATOM 0 H GLU A 84 16.754 27.865 12.873 1.00 0.00 H new ATOM 0 HA GLU A 84 15.534 28.381 10.317 1.00 0.00 H new ATOM 0 HB2 GLU A 84 16.753 30.220 12.433 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.809 30.784 11.068 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.889 29.321 11.829 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.834 28.841 13.224 1.00 0.00 H new ATOM 777 N SER A 85 18.745 29.066 10.639 1.00 0.00 N ATOM 778 CA SER A 85 19.958 29.382 9.833 1.00 0.00 C ATOM 779 C SER A 85 20.177 28.284 8.790 1.00 0.00 C ATOM 780 O SER A 85 20.688 28.528 7.715 1.00 0.00 O ATOM 781 CB SER A 85 21.177 29.459 10.755 1.00 0.00 C ATOM 782 OG SER A 85 20.918 30.378 11.805 1.00 0.00 O ATOM 0 H SER A 85 18.915 28.891 11.630 1.00 0.00 H new ATOM 0 HA SER A 85 19.821 30.339 9.330 1.00 0.00 H new ATOM 0 HB2 SER A 85 21.399 28.474 11.166 1.00 0.00 H new ATOM 0 HB3 SER A 85 22.054 29.774 10.190 1.00 0.00 H new ATOM 0 HG SER A 85 21.698 30.427 12.397 1.00 0.00 H new ATOM 788 N ALA A 86 19.792 27.076 9.099 1.00 0.00 N ATOM 789 CA ALA A 86 19.976 25.964 8.125 1.00 0.00 C ATOM 790 C ALA A 86 18.956 26.104 6.993 1.00 0.00 C ATOM 791 O ALA A 86 19.209 25.730 5.866 1.00 0.00 O ATOM 792 CB ALA A 86 19.770 24.625 8.835 1.00 0.00 C ATOM 0 H ALA A 86 19.358 26.811 9.983 1.00 0.00 H new ATOM 0 HA ALA A 86 20.984 26.005 7.713 1.00 0.00 H new ATOM 0 HB1 ALA A 86 19.905 23.811 8.123 1.00 0.00 H new ATOM 0 HB2 ALA A 86 20.496 24.525 9.641 1.00 0.00 H new ATOM 0 HB3 ALA A 86 18.762 24.583 9.248 1.00 0.00 H new ATOM 798 N ASP A 87 17.803 26.642 7.284 1.00 0.00 N ATOM 799 CA ASP A 87 16.769 26.806 6.225 1.00 0.00 C ATOM 800 C ASP A 87 17.239 27.848 5.209 1.00 0.00 C ATOM 801 O ASP A 87 17.127 27.659 4.013 1.00 0.00 O ATOM 802 CB ASP A 87 15.457 27.272 6.861 1.00 0.00 C ATOM 803 CG ASP A 87 14.349 27.269 5.806 1.00 0.00 C ATOM 804 OD1 ASP A 87 14.608 26.809 4.705 1.00 0.00 O ATOM 805 OD2 ASP A 87 13.262 27.727 6.116 1.00 0.00 O ATOM 0 H ASP A 87 17.533 26.975 8.210 1.00 0.00 H new ATOM 0 HA ASP A 87 16.612 25.852 5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.188 26.615 7.688 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.577 28.273 7.275 1.00 0.00 H new ATOM 810 N GLN A 88 17.765 28.949 5.673 1.00 0.00 N ATOM 811 CA GLN A 88 18.243 30.000 4.732 1.00 0.00 C ATOM 812 C GLN A 88 19.406 29.453 3.905 1.00 0.00 C ATOM 813 O GLN A 88 19.515 29.708 2.723 1.00 0.00 O ATOM 814 CB GLN A 88 18.711 31.220 5.526 1.00 0.00 C ATOM 815 CG GLN A 88 19.020 32.368 4.563 1.00 0.00 C ATOM 816 CD GLN A 88 19.397 33.618 5.361 1.00 0.00 C ATOM 817 OE1 GLN A 88 19.261 33.646 6.568 1.00 0.00 O ATOM 818 NE2 GLN A 88 19.869 34.659 4.733 1.00 0.00 N ATOM 0 H GLN A 88 17.884 29.165 6.663 1.00 0.00 H new ATOM 0 HA GLN A 88 17.429 30.290 4.067 1.00 0.00 H new ATOM 0 HB2 GLN A 88 17.940 31.523 6.235 1.00 0.00 H new ATOM 0 HB3 GLN A 88 19.598 30.970 6.107 1.00 0.00 H new ATOM 0 HG2 GLN A 88 19.837 32.088 3.898 1.00 0.00 H new ATOM 0 HG3 GLN A 88 18.153 32.573 3.935 1.00 0.00 H new ATOM 0 HE21 GLN A 88 19.983 34.635 3.720 1.00 0.00 H new ATOM 0 HE22 GLN A 88 20.124 35.497 5.255 1.00 0.00 H new ATOM 827 N ALA A 89 20.280 28.703 4.519 1.00 0.00 N ATOM 828 CA ALA A 89 21.439 28.140 3.770 1.00 0.00 C ATOM 829 C ALA A 89 20.962 26.990 2.880 1.00 0.00 C ATOM 830 O ALA A 89 21.356 26.870 1.737 1.00 0.00 O ATOM 831 CB ALA A 89 22.481 27.620 4.761 1.00 0.00 C ATOM 0 H ALA A 89 20.241 28.456 5.508 1.00 0.00 H new ATOM 0 HA ALA A 89 21.884 28.918 3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 89 23.329 27.208 4.214 1.00 0.00 H new ATOM 0 HB2 ALA A 89 22.821 28.439 5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 89 22.037 26.842 5.381 1.00 0.00 H new ATOM 837 N VAL A 90 20.116 26.140 3.396 1.00 0.00 N ATOM 838 CA VAL A 90 19.615 24.996 2.583 1.00 0.00 C ATOM 839 C VAL A 90 18.858 25.524 1.361 1.00 0.00 C ATOM 840 O VAL A 90 18.854 24.914 0.310 1.00 0.00 O ATOM 841 CB VAL A 90 18.673 24.142 3.433 1.00 0.00 C ATOM 842 CG1 VAL A 90 18.064 23.036 2.571 1.00 0.00 C ATOM 843 CG2 VAL A 90 19.457 23.514 4.588 1.00 0.00 C ATOM 0 H VAL A 90 19.750 26.189 4.347 1.00 0.00 H new ATOM 0 HA VAL A 90 20.459 24.391 2.252 1.00 0.00 H new ATOM 0 HB VAL A 90 17.876 24.770 3.832 1.00 0.00 H new ATOM 0 HG11 VAL A 90 17.393 22.429 3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 90 17.505 23.482 1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 90 18.859 22.408 2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 90 18.786 22.905 5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 90 20.254 22.887 4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 90 19.889 24.302 5.205 1.00 0.00 H new ATOM 853 N ALA A 91 18.215 26.652 1.491 1.00 0.00 N ATOM 854 CA ALA A 91 17.457 27.214 0.337 1.00 0.00 C ATOM 855 C ALA A 91 18.420 27.924 -0.617 1.00 0.00 C ATOM 856 O ALA A 91 18.429 27.672 -1.806 1.00 0.00 O ATOM 857 CB ALA A 91 16.420 28.215 0.849 1.00 0.00 C ATOM 0 H ALA A 91 18.182 27.208 2.345 1.00 0.00 H new ATOM 0 HA ALA A 91 16.955 26.405 -0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 91 15.865 28.627 0.006 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.731 27.710 1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.925 29.022 1.380 1.00 0.00 H new ATOM 863 N GLU A 92 19.226 28.815 -0.107 1.00 0.00 N ATOM 864 CA GLU A 92 20.183 29.546 -0.985 1.00 0.00 C ATOM 865 C GLU A 92 21.300 28.603 -1.438 1.00 0.00 C ATOM 866 O GLU A 92 21.647 28.551 -2.602 1.00 0.00 O ATOM 867 CB GLU A 92 20.792 30.716 -0.209 1.00 0.00 C ATOM 868 CG GLU A 92 19.678 31.645 0.273 1.00 0.00 C ATOM 869 CD GLU A 92 20.285 32.969 0.739 1.00 0.00 C ATOM 870 OE1 GLU A 92 21.500 33.056 0.792 1.00 0.00 O ATOM 871 OE2 GLU A 92 19.523 33.875 1.037 1.00 0.00 O ATOM 0 H GLU A 92 19.263 29.068 0.880 1.00 0.00 H new ATOM 0 HA GLU A 92 19.652 29.920 -1.860 1.00 0.00 H new ATOM 0 HB2 GLU A 92 21.363 30.344 0.642 1.00 0.00 H new ATOM 0 HB3 GLU A 92 21.488 31.264 -0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 92 18.965 31.823 -0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 92 19.128 31.177 1.089 1.00 0.00 H new ATOM 878 N LEU A 93 21.872 27.863 -0.529 1.00 0.00 N ATOM 879 CA LEU A 93 22.971 26.932 -0.911 1.00 0.00 C ATOM 880 C LEU A 93 22.437 25.861 -1.865 1.00 0.00 C ATOM 881 O LEU A 93 23.116 25.440 -2.780 1.00 0.00 O ATOM 882 CB LEU A 93 23.532 26.266 0.346 1.00 0.00 C ATOM 883 CG LEU A 93 23.955 27.344 1.346 1.00 0.00 C ATOM 884 CD1 LEU A 93 24.398 26.684 2.653 1.00 0.00 C ATOM 885 CD2 LEU A 93 25.117 28.152 0.765 1.00 0.00 C ATOM 0 H LEU A 93 21.626 27.863 0.461 1.00 0.00 H new ATOM 0 HA LEU A 93 23.761 27.493 -1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 93 22.780 25.615 0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 93 24.385 25.638 0.089 1.00 0.00 H new ATOM 0 HG LEU A 93 23.112 28.007 1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 93 24.699 27.453 3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 93 23.571 26.109 3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 93 25.240 26.020 2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 93 25.418 28.920 1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 93 25.959 27.489 0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 93 24.802 28.624 -0.166 1.00 0.00 H new ATOM 897 N ASN A 94 21.228 25.413 -1.660 1.00 0.00 N ATOM 898 CA ASN A 94 20.663 24.367 -2.560 1.00 0.00 C ATOM 899 C ASN A 94 20.294 24.996 -3.904 1.00 0.00 C ATOM 900 O ASN A 94 19.562 25.964 -3.969 1.00 0.00 O ATOM 901 CB ASN A 94 19.413 23.763 -1.919 1.00 0.00 C ATOM 902 CG ASN A 94 18.884 22.632 -2.804 1.00 0.00 C ATOM 903 OD1 ASN A 94 19.434 22.356 -3.852 1.00 0.00 O ATOM 904 ND2 ASN A 94 17.831 21.961 -2.424 1.00 0.00 N ATOM 0 H ASN A 94 20.609 25.724 -0.911 1.00 0.00 H new ATOM 0 HA ASN A 94 21.405 23.584 -2.717 1.00 0.00 H new ATOM 0 HB2 ASN A 94 19.648 23.382 -0.925 1.00 0.00 H new ATOM 0 HB3 ASN A 94 18.648 24.530 -1.794 1.00 0.00 H new ATOM 0 HD21 ASN A 94 17.470 21.205 -3.006 1.00 0.00 H new ATOM 0 HD22 ASN A 94 17.369 22.192 -1.545 1.00 0.00 H new ATOM 911 N GLY A 95 20.793 24.452 -4.981 1.00 0.00 N ATOM 912 CA GLY A 95 20.469 25.018 -6.320 1.00 0.00 C ATOM 913 C GLY A 95 21.584 25.970 -6.754 1.00 0.00 C ATOM 914 O GLY A 95 21.386 26.837 -7.582 1.00 0.00 O ATOM 0 H GLY A 95 21.411 23.640 -4.991 1.00 0.00 H new ATOM 0 HA2 GLY A 95 20.357 24.215 -7.049 1.00 0.00 H new ATOM 0 HA3 GLY A 95 19.518 25.548 -6.282 1.00 0.00 H new ATOM 918 N THR A 96 22.756 25.818 -6.201 1.00 0.00 N ATOM 919 CA THR A 96 23.882 26.716 -6.583 1.00 0.00 C ATOM 920 C THR A 96 24.985 25.894 -7.252 1.00 0.00 C ATOM 921 O THR A 96 25.053 24.690 -7.100 1.00 0.00 O ATOM 922 CB THR A 96 24.440 27.396 -5.329 1.00 0.00 C ATOM 923 OG1 THR A 96 25.167 26.448 -4.561 1.00 0.00 O ATOM 924 CG2 THR A 96 23.287 27.955 -4.495 1.00 0.00 C ATOM 0 H THR A 96 22.982 25.111 -5.501 1.00 0.00 H new ATOM 0 HA THR A 96 23.523 27.475 -7.278 1.00 0.00 H new ATOM 0 HB THR A 96 25.103 28.211 -5.621 1.00 0.00 H new ATOM 0 HG1 THR A 96 24.569 26.030 -3.906 1.00 0.00 H new ATOM 0 HG21 THR A 96 23.684 28.439 -3.603 1.00 0.00 H new ATOM 0 HG22 THR A 96 22.731 28.683 -5.085 1.00 0.00 H new ATOM 0 HG23 THR A 96 22.623 27.142 -4.202 1.00 0.00 H new ATOM 932 N GLN A 97 25.849 26.533 -7.992 1.00 0.00 N ATOM 933 CA GLN A 97 26.945 25.786 -8.671 1.00 0.00 C ATOM 934 C GLN A 97 28.274 26.508 -8.440 1.00 0.00 C ATOM 935 O GLN A 97 28.308 27.686 -8.141 1.00 0.00 O ATOM 936 CB GLN A 97 26.659 25.712 -10.172 1.00 0.00 C ATOM 937 CG GLN A 97 27.739 24.871 -10.856 1.00 0.00 C ATOM 938 CD GLN A 97 27.456 24.804 -12.358 1.00 0.00 C ATOM 939 OE1 GLN A 97 26.432 25.269 -12.817 1.00 0.00 O ATOM 940 NE2 GLN A 97 28.328 24.239 -13.149 1.00 0.00 N ATOM 0 H GLN A 97 25.843 27.540 -8.156 1.00 0.00 H new ATOM 0 HA GLN A 97 27.004 24.777 -8.262 1.00 0.00 H new ATOM 0 HB2 GLN A 97 25.677 25.272 -10.345 1.00 0.00 H new ATOM 0 HB3 GLN A 97 26.639 26.715 -10.599 1.00 0.00 H new ATOM 0 HG2 GLN A 97 28.722 25.308 -10.679 1.00 0.00 H new ATOM 0 HG3 GLN A 97 27.756 23.867 -10.433 1.00 0.00 H new ATOM 0 HE21 GLN A 97 29.188 23.848 -12.764 1.00 0.00 H new ATOM 0 HE22 GLN A 97 28.149 24.188 -14.152 1.00 0.00 H new ATOM 949 N VAL A 98 29.369 25.813 -8.576 1.00 0.00 N ATOM 950 CA VAL A 98 30.695 26.460 -8.365 1.00 0.00 C ATOM 951 C VAL A 98 31.404 26.617 -9.712 1.00 0.00 C ATOM 952 O VAL A 98 30.773 26.709 -10.747 1.00 0.00 O ATOM 953 CB VAL A 98 31.548 25.591 -7.434 1.00 0.00 C ATOM 954 CG1 VAL A 98 32.505 26.483 -6.638 1.00 0.00 C ATOM 955 CG2 VAL A 98 30.641 24.830 -6.464 1.00 0.00 C ATOM 0 H VAL A 98 29.403 24.824 -8.824 1.00 0.00 H new ATOM 0 HA VAL A 98 30.553 27.441 -7.912 1.00 0.00 H new ATOM 0 HB VAL A 98 32.120 24.880 -8.030 1.00 0.00 H new ATOM 0 HG11 VAL A 98 33.112 25.866 -5.976 1.00 0.00 H new ATOM 0 HG12 VAL A 98 33.155 27.024 -7.326 1.00 0.00 H new ATOM 0 HG13 VAL A 98 31.931 27.195 -6.045 1.00 0.00 H new ATOM 0 HG21 VAL A 98 31.251 24.213 -5.804 1.00 0.00 H new ATOM 0 HG22 VAL A 98 30.067 25.541 -5.869 1.00 0.00 H new ATOM 0 HG23 VAL A 98 29.959 24.194 -7.027 1.00 0.00 H new ATOM 965 N GLU A 99 32.709 26.650 -9.710 1.00 0.00 N ATOM 966 CA GLU A 99 33.452 26.803 -10.992 1.00 0.00 C ATOM 967 C GLU A 99 33.071 25.668 -11.945 1.00 0.00 C ATOM 968 O GLU A 99 32.964 25.859 -13.140 1.00 0.00 O ATOM 969 CB GLU A 99 34.957 26.756 -10.717 1.00 0.00 C ATOM 970 CG GLU A 99 35.361 27.974 -9.883 1.00 0.00 C ATOM 971 CD GLU A 99 36.877 27.975 -9.681 1.00 0.00 C ATOM 972 OE1 GLU A 99 37.501 26.986 -10.029 1.00 0.00 O ATOM 973 OE2 GLU A 99 37.388 28.964 -9.182 1.00 0.00 O ATOM 0 H GLU A 99 33.292 26.578 -8.876 1.00 0.00 H new ATOM 0 HA GLU A 99 33.195 27.759 -11.448 1.00 0.00 H new ATOM 0 HB2 GLU A 99 35.212 25.838 -10.187 1.00 0.00 H new ATOM 0 HB3 GLU A 99 35.509 26.746 -11.657 1.00 0.00 H new ATOM 0 HG2 GLU A 99 35.050 28.890 -10.384 1.00 0.00 H new ATOM 0 HG3 GLU A 99 34.855 27.951 -8.918 1.00 0.00 H new ATOM 980 N SER A 100 32.864 24.489 -11.427 1.00 0.00 N ATOM 981 CA SER A 100 32.489 23.345 -12.305 1.00 0.00 C ATOM 982 C SER A 100 31.897 22.220 -11.453 1.00 0.00 C ATOM 983 O SER A 100 31.936 21.063 -11.821 1.00 0.00 O ATOM 984 CB SER A 100 33.733 22.831 -13.032 1.00 0.00 C ATOM 985 OG SER A 100 33.435 22.648 -14.408 1.00 0.00 O ATOM 0 H SER A 100 32.938 24.268 -10.434 1.00 0.00 H new ATOM 0 HA SER A 100 31.751 23.675 -13.036 1.00 0.00 H new ATOM 0 HB2 SER A 100 34.553 23.540 -12.918 1.00 0.00 H new ATOM 0 HB3 SER A 100 34.062 21.890 -12.592 1.00 0.00 H new ATOM 0 HG SER A 100 34.232 22.320 -14.875 1.00 0.00 H new ATOM 991 N VAL A 101 31.345 22.551 -10.317 1.00 0.00 N ATOM 992 CA VAL A 101 30.750 21.500 -9.444 1.00 0.00 C ATOM 993 C VAL A 101 29.437 22.014 -8.848 1.00 0.00 C ATOM 994 O VAL A 101 29.288 23.188 -8.574 1.00 0.00 O ATOM 995 CB VAL A 101 31.724 21.161 -8.313 1.00 0.00 C ATOM 996 CG1 VAL A 101 31.101 20.101 -7.404 1.00 0.00 C ATOM 997 CG2 VAL A 101 33.027 20.622 -8.907 1.00 0.00 C ATOM 0 H VAL A 101 31.281 23.503 -9.956 1.00 0.00 H new ATOM 0 HA VAL A 101 30.556 20.606 -10.036 1.00 0.00 H new ATOM 0 HB VAL A 101 31.934 22.059 -7.732 1.00 0.00 H new ATOM 0 HG11 VAL A 101 31.794 19.859 -6.598 1.00 0.00 H new ATOM 0 HG12 VAL A 101 30.173 20.485 -6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 101 30.891 19.202 -7.984 1.00 0.00 H new ATOM 0 HG21 VAL A 101 33.721 20.380 -8.102 1.00 0.00 H new ATOM 0 HG22 VAL A 101 32.818 19.724 -9.488 1.00 0.00 H new ATOM 0 HG23 VAL A 101 33.471 21.378 -9.555 1.00 0.00 H new ATOM 1007 N GLN A 102 28.486 21.146 -8.645 1.00 0.00 N ATOM 1008 CA GLN A 102 27.185 21.586 -8.068 1.00 0.00 C ATOM 1009 C GLN A 102 27.145 21.242 -6.577 1.00 0.00 C ATOM 1010 O GLN A 102 27.709 20.258 -6.142 1.00 0.00 O ATOM 1011 CB GLN A 102 26.039 20.873 -8.788 1.00 0.00 C ATOM 1012 CG GLN A 102 26.081 21.216 -10.277 1.00 0.00 C ATOM 1013 CD GLN A 102 24.987 20.439 -11.012 1.00 0.00 C ATOM 1014 OE1 GLN A 102 24.437 19.494 -10.482 1.00 0.00 O ATOM 1015 NE2 GLN A 102 24.645 20.800 -12.218 1.00 0.00 N ATOM 0 H GLN A 102 28.553 20.150 -8.854 1.00 0.00 H new ATOM 0 HA GLN A 102 27.078 22.663 -8.195 1.00 0.00 H new ATOM 0 HB2 GLN A 102 26.123 19.795 -8.650 1.00 0.00 H new ATOM 0 HB3 GLN A 102 25.083 21.176 -8.361 1.00 0.00 H new ATOM 0 HG2 GLN A 102 25.938 22.287 -10.418 1.00 0.00 H new ATOM 0 HG3 GLN A 102 27.058 20.968 -10.691 1.00 0.00 H new ATOM 0 HE21 GLN A 102 25.107 21.593 -12.663 1.00 0.00 H new ATOM 0 HE22 GLN A 102 23.916 20.289 -12.716 1.00 0.00 H new ATOM 1024 N LEU A 103 26.482 22.046 -5.790 1.00 0.00 N ATOM 1025 CA LEU A 103 26.408 21.763 -4.329 1.00 0.00 C ATOM 1026 C LEU A 103 24.964 21.428 -3.946 1.00 0.00 C ATOM 1027 O LEU A 103 24.034 22.104 -4.339 1.00 0.00 O ATOM 1028 CB LEU A 103 26.869 22.994 -3.546 1.00 0.00 C ATOM 1029 CG LEU A 103 28.344 23.264 -3.847 1.00 0.00 C ATOM 1030 CD1 LEU A 103 28.767 24.580 -3.190 1.00 0.00 C ATOM 1031 CD2 LEU A 103 29.196 22.122 -3.290 1.00 0.00 C ATOM 0 H LEU A 103 25.989 22.885 -6.096 1.00 0.00 H new ATOM 0 HA LEU A 103 27.053 20.918 -4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 103 26.266 23.860 -3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 103 26.728 22.833 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 103 28.487 23.333 -4.925 1.00 0.00 H new ATOM 0 HD11 LEU A 103 29.818 24.772 -3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 103 28.161 25.395 -3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 103 28.624 24.511 -2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 103 30.247 22.314 -3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 103 29.052 22.053 -2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 103 28.896 21.184 -3.756 1.00 0.00 H new ATOM 1043 N LYS A 104 24.770 20.388 -3.181 1.00 0.00 N ATOM 1044 CA LYS A 104 23.388 20.011 -2.773 1.00 0.00 C ATOM 1045 C LYS A 104 23.252 20.153 -1.256 1.00 0.00 C ATOM 1046 O LYS A 104 24.183 19.910 -0.514 1.00 0.00 O ATOM 1047 CB LYS A 104 23.114 18.560 -3.177 1.00 0.00 C ATOM 1048 CG LYS A 104 23.162 18.439 -4.702 1.00 0.00 C ATOM 1049 CD LYS A 104 22.816 17.007 -5.111 1.00 0.00 C ATOM 1050 CE LYS A 104 23.032 16.842 -6.617 1.00 0.00 C ATOM 1051 NZ LYS A 104 23.341 15.416 -6.921 1.00 0.00 N ATOM 0 H LYS A 104 25.509 19.784 -2.821 1.00 0.00 H new ATOM 0 HA LYS A 104 22.670 20.666 -3.267 1.00 0.00 H new ATOM 0 HB2 LYS A 104 23.854 17.899 -2.725 1.00 0.00 H new ATOM 0 HB3 LYS A 104 22.138 18.246 -2.807 1.00 0.00 H new ATOM 0 HG2 LYS A 104 22.459 19.138 -5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 104 24.154 18.703 -5.067 1.00 0.00 H new ATOM 0 HD2 LYS A 104 23.439 16.300 -4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 104 21.780 16.784 -4.854 1.00 0.00 H new ATOM 0 HE2 LYS A 104 22.140 17.156 -7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 104 23.849 17.481 -6.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 23.488 15.303 -7.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 24.203 15.132 -6.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 22.547 14.816 -6.617 1.00 0.00 H new ATOM 1065 N VAL A 105 22.100 20.548 -0.786 1.00 0.00 N ATOM 1066 CA VAL A 105 21.913 20.708 0.683 1.00 0.00 C ATOM 1067 C VAL A 105 20.676 19.928 1.134 1.00 0.00 C ATOM 1068 O VAL A 105 19.707 19.806 0.412 1.00 0.00 O ATOM 1069 CB VAL A 105 21.729 22.190 1.014 1.00 0.00 C ATOM 1070 CG1 VAL A 105 21.693 22.374 2.532 1.00 0.00 C ATOM 1071 CG2 VAL A 105 22.895 22.990 0.430 1.00 0.00 C ATOM 0 H VAL A 105 21.282 20.766 -1.355 1.00 0.00 H new ATOM 0 HA VAL A 105 22.791 20.324 1.202 1.00 0.00 H new ATOM 0 HB VAL A 105 20.792 22.545 0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 105 21.562 23.430 2.767 1.00 0.00 H new ATOM 0 HG12 VAL A 105 20.863 21.804 2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 105 22.629 22.019 2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 105 22.765 24.046 0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 105 23.831 22.635 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 105 22.920 22.859 -0.652 1.00 0.00 H new