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 41 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 79 THR OG1 : rot 75:sc= -1.39! USER MOD Single : A 40 ASN : amide:sc= -3.08 X(o=-3.1,f=-3.1!) USER MOD Single : A 43 TYR OH : rot 180:sc=-0.00458 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -161:sc= -0.568 (180deg=-2.1!) 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 65:sc= 0.822 USER MOD Single : A 63 ASN : amide:sc= -0.0117 K(o=-0.012,f=-1.2) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -137:sc= -6.38! (180deg=-8.34!) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 75 CYS SG : rot 109:sc= -2.23 USER MOD Single : A 80 TYR OH : rot -12:sc= -7.58! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -99:sc= -0.731! USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 94 ASN : amide:sc= -0.619 K(o=-0.62,f=-6.1!) USER MOD Single : A 96 THR OG1 : rot -116:sc= -2.67! USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 104 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0154) USER MOD ----------------------------------------------------------------- ATOM 78 N ASN A 40 21.891 22.573 14.157 1.00 0.00 N ATOM 79 CA ASN A 40 21.056 21.944 13.096 1.00 0.00 C ATOM 80 C ASN A 40 21.971 21.272 12.070 1.00 0.00 C ATOM 81 O ASN A 40 22.504 21.914 11.186 1.00 0.00 O ATOM 82 CB ASN A 40 20.212 23.018 12.407 1.00 0.00 C ATOM 83 CG ASN A 40 19.038 22.356 11.681 1.00 0.00 C ATOM 84 OD1 ASN A 40 18.724 21.209 11.930 1.00 0.00 O ATOM 85 ND2 ASN A 40 18.373 23.035 10.788 1.00 0.00 N ATOM 0 HA ASN A 40 20.396 21.199 13.540 1.00 0.00 H new ATOM 0 HB2 ASN A 40 19.842 23.733 13.142 1.00 0.00 H new ATOM 0 HB3 ASN A 40 20.823 23.577 11.698 1.00 0.00 H new ATOM 0 HD21 ASN A 40 17.589 22.603 10.299 1.00 0.00 H new ATOM 0 HD22 ASN A 40 18.637 23.998 10.579 1.00 0.00 H new ATOM 92 N THR A 41 22.162 19.987 12.184 1.00 0.00 N ATOM 93 CA THR A 41 23.051 19.273 11.223 1.00 0.00 C ATOM 94 C THR A 41 22.464 19.349 9.812 1.00 0.00 C ATOM 95 O THR A 41 21.289 19.122 9.605 1.00 0.00 O ATOM 96 CB THR A 41 23.179 17.807 11.643 1.00 0.00 C ATOM 97 OG1 THR A 41 23.419 17.737 13.041 1.00 0.00 O ATOM 98 CG2 THR A 41 24.339 17.158 10.890 1.00 0.00 C ATOM 0 H THR A 41 21.740 19.399 12.903 1.00 0.00 H new ATOM 0 HA THR A 41 24.034 19.744 11.227 1.00 0.00 H new ATOM 0 HB THR A 41 22.256 17.278 11.406 1.00 0.00 H new ATOM 0 HG1 THR A 41 23.500 16.799 13.313 1.00 0.00 H new ATOM 0 HG21 THR A 41 24.429 16.114 11.190 1.00 0.00 H new ATOM 0 HG22 THR A 41 24.152 17.212 9.817 1.00 0.00 H new ATOM 0 HG23 THR A 41 25.265 17.684 11.124 1.00 0.00 H new ATOM 106 N LEU A 42 23.278 19.661 8.841 1.00 0.00 N ATOM 107 CA LEU A 42 22.777 19.747 7.440 1.00 0.00 C ATOM 108 C LEU A 42 23.536 18.745 6.569 1.00 0.00 C ATOM 109 O LEU A 42 24.646 18.356 6.876 1.00 0.00 O ATOM 110 CB LEU A 42 23.005 21.161 6.899 1.00 0.00 C ATOM 111 CG LEU A 42 22.567 22.186 7.944 1.00 0.00 C ATOM 112 CD1 LEU A 42 22.730 23.596 7.372 1.00 0.00 C ATOM 113 CD2 LEU A 42 21.099 21.951 8.306 1.00 0.00 C ATOM 0 H LEU A 42 24.271 19.861 8.958 1.00 0.00 H new ATOM 0 HA LEU A 42 21.711 19.518 7.421 1.00 0.00 H new ATOM 0 HB2 LEU A 42 24.058 21.303 6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 42 22.442 21.304 5.977 1.00 0.00 H new ATOM 0 HG LEU A 42 23.183 22.081 8.837 1.00 0.00 H new ATOM 0 HD11 LEU A 42 22.418 24.329 8.116 1.00 0.00 H new ATOM 0 HD12 LEU A 42 23.775 23.765 7.112 1.00 0.00 H new ATOM 0 HD13 LEU A 42 22.113 23.700 6.479 1.00 0.00 H new ATOM 0 HD21 LEU A 42 20.787 22.682 9.052 1.00 0.00 H new ATOM 0 HD22 LEU A 42 20.483 22.057 7.413 1.00 0.00 H new ATOM 0 HD23 LEU A 42 20.981 20.946 8.711 1.00 0.00 H new ATOM 125 N TYR A 43 22.949 18.323 5.484 1.00 0.00 N ATOM 126 CA TYR A 43 23.639 17.347 4.595 1.00 0.00 C ATOM 127 C TYR A 43 24.047 18.042 3.294 1.00 0.00 C ATOM 128 O TYR A 43 23.240 18.660 2.630 1.00 0.00 O ATOM 129 CB TYR A 43 22.690 16.189 4.278 1.00 0.00 C ATOM 130 CG TYR A 43 23.425 15.138 3.481 1.00 0.00 C ATOM 131 CD1 TYR A 43 24.197 14.173 4.139 1.00 0.00 C ATOM 132 CD2 TYR A 43 23.333 15.127 2.084 1.00 0.00 C ATOM 133 CE1 TYR A 43 24.878 13.198 3.400 1.00 0.00 C ATOM 134 CE2 TYR A 43 24.015 14.152 1.346 1.00 0.00 C ATOM 135 CZ TYR A 43 24.787 13.188 2.004 1.00 0.00 C ATOM 136 OH TYR A 43 25.457 12.227 1.275 1.00 0.00 O ATOM 0 H TYR A 43 22.021 18.612 5.174 1.00 0.00 H new ATOM 0 HA TYR A 43 24.528 16.963 5.096 1.00 0.00 H new ATOM 0 HB2 TYR A 43 22.305 15.757 5.202 1.00 0.00 H new ATOM 0 HB3 TYR A 43 21.831 16.553 3.715 1.00 0.00 H new ATOM 0 HD1 TYR A 43 24.267 14.181 5.217 1.00 0.00 H new ATOM 0 HD2 TYR A 43 22.736 15.870 1.576 1.00 0.00 H new ATOM 0 HE1 TYR A 43 25.474 12.454 3.908 1.00 0.00 H new ATOM 0 HE2 TYR A 43 23.945 14.144 0.268 1.00 0.00 H new ATOM 0 HH TYR A 43 25.286 12.363 0.320 1.00 0.00 H new ATOM 146 N VAL A 44 25.293 17.947 2.924 1.00 0.00 N ATOM 147 CA VAL A 44 25.745 18.603 1.665 1.00 0.00 C ATOM 148 C VAL A 44 26.450 17.573 0.780 1.00 0.00 C ATOM 149 O VAL A 44 27.244 16.781 1.245 1.00 0.00 O ATOM 150 CB VAL A 44 26.711 19.739 1.998 1.00 0.00 C ATOM 151 CG1 VAL A 44 27.109 20.463 0.709 1.00 0.00 C ATOM 152 CG2 VAL A 44 26.028 20.727 2.946 1.00 0.00 C ATOM 0 H VAL A 44 26.017 17.445 3.437 1.00 0.00 H new ATOM 0 HA VAL A 44 24.882 19.007 1.136 1.00 0.00 H new ATOM 0 HB VAL A 44 27.601 19.331 2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 44 27.798 21.274 0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 44 27.594 19.760 0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 44 26.218 20.871 0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 44 26.716 21.538 3.184 1.00 0.00 H new ATOM 0 HG22 VAL A 44 25.138 21.135 2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 44 25.742 20.213 3.863 1.00 0.00 H new ATOM 162 N TYR A 45 26.161 17.575 -0.492 1.00 0.00 N ATOM 163 CA TYR A 45 26.812 16.594 -1.404 1.00 0.00 C ATOM 164 C TYR A 45 27.439 17.332 -2.588 1.00 0.00 C ATOM 165 O TYR A 45 26.845 18.224 -3.161 1.00 0.00 O ATOM 166 CB TYR A 45 25.764 15.604 -1.916 1.00 0.00 C ATOM 167 CG TYR A 45 26.432 14.574 -2.793 1.00 0.00 C ATOM 168 CD1 TYR A 45 26.941 13.398 -2.230 1.00 0.00 C ATOM 169 CD2 TYR A 45 26.542 14.794 -4.171 1.00 0.00 C ATOM 170 CE1 TYR A 45 27.560 12.443 -3.043 1.00 0.00 C ATOM 171 CE2 TYR A 45 27.161 13.839 -4.986 1.00 0.00 C ATOM 172 CZ TYR A 45 27.670 12.663 -4.422 1.00 0.00 C ATOM 173 OH TYR A 45 28.281 11.721 -5.225 1.00 0.00 O ATOM 0 H TYR A 45 25.503 18.213 -0.939 1.00 0.00 H new ATOM 0 HA TYR A 45 27.589 16.055 -0.862 1.00 0.00 H new ATOM 0 HB2 TYR A 45 25.268 15.116 -1.077 1.00 0.00 H new ATOM 0 HB3 TYR A 45 24.994 16.132 -2.478 1.00 0.00 H new ATOM 0 HD1 TYR A 45 26.856 13.228 -1.167 1.00 0.00 H new ATOM 0 HD2 TYR A 45 26.149 15.701 -4.606 1.00 0.00 H new ATOM 0 HE1 TYR A 45 27.953 11.536 -2.608 1.00 0.00 H new ATOM 0 HE2 TYR A 45 27.246 14.009 -6.049 1.00 0.00 H new ATOM 0 HH TYR A 45 28.272 12.029 -6.155 1.00 0.00 H new ATOM 183 N GLY A 46 28.635 16.966 -2.961 1.00 0.00 N ATOM 184 CA GLY A 46 29.300 17.646 -4.108 1.00 0.00 C ATOM 185 C GLY A 46 30.609 16.926 -4.435 1.00 0.00 C ATOM 186 O GLY A 46 30.836 15.809 -4.015 1.00 0.00 O ATOM 0 H GLY A 46 29.180 16.225 -2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 46 28.643 17.643 -4.978 1.00 0.00 H new ATOM 0 HA3 GLY A 46 29.498 18.689 -3.862 1.00 0.00 H new ATOM 190 N GLU A 47 31.474 17.555 -5.183 1.00 0.00 N ATOM 191 CA GLU A 47 32.768 16.906 -5.535 1.00 0.00 C ATOM 192 C GLU A 47 33.926 17.771 -5.035 1.00 0.00 C ATOM 193 O GLU A 47 33.838 18.983 -5.000 1.00 0.00 O ATOM 194 CB GLU A 47 32.867 16.755 -7.054 1.00 0.00 C ATOM 195 CG GLU A 47 31.829 15.738 -7.535 1.00 0.00 C ATOM 196 CD GLU A 47 32.099 15.390 -8.999 1.00 0.00 C ATOM 197 OE1 GLU A 47 32.970 16.011 -9.584 1.00 0.00 O ATOM 198 OE2 GLU A 47 31.430 14.507 -9.511 1.00 0.00 O ATOM 0 H GLU A 47 31.340 18.491 -5.566 1.00 0.00 H new ATOM 0 HA GLU A 47 32.819 15.923 -5.067 1.00 0.00 H new ATOM 0 HB2 GLU A 47 32.700 17.718 -7.537 1.00 0.00 H new ATOM 0 HB3 GLU A 47 33.869 16.428 -7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 47 31.874 14.838 -6.922 1.00 0.00 H new ATOM 0 HG3 GLU A 47 30.825 16.148 -7.426 1.00 0.00 H new ATOM 205 N ASP A 48 35.013 17.160 -4.649 1.00 0.00 N ATOM 206 CA ASP A 48 36.177 17.948 -4.152 1.00 0.00 C ATOM 207 C ASP A 48 35.683 19.051 -3.213 1.00 0.00 C ATOM 208 O ASP A 48 35.977 20.215 -3.400 1.00 0.00 O ATOM 209 CB ASP A 48 36.911 18.578 -5.338 1.00 0.00 C ATOM 210 CG ASP A 48 37.320 17.485 -6.326 1.00 0.00 C ATOM 211 OD1 ASP A 48 37.385 16.337 -5.917 1.00 0.00 O ATOM 212 OD2 ASP A 48 37.562 17.813 -7.476 1.00 0.00 O ATOM 0 H ASP A 48 35.145 16.149 -4.656 1.00 0.00 H new ATOM 0 HA ASP A 48 36.858 17.289 -3.612 1.00 0.00 H new ATOM 0 HB2 ASP A 48 36.268 19.307 -5.832 1.00 0.00 H new ATOM 0 HB3 ASP A 48 37.793 19.116 -4.989 1.00 0.00 H new ATOM 217 N MET A 49 34.934 18.694 -2.206 1.00 0.00 N ATOM 218 CA MET A 49 34.421 19.724 -1.259 1.00 0.00 C ATOM 219 C MET A 49 35.325 19.784 -0.027 1.00 0.00 C ATOM 220 O MET A 49 35.720 18.771 0.515 1.00 0.00 O ATOM 221 CB MET A 49 32.999 19.358 -0.831 1.00 0.00 C ATOM 222 CG MET A 49 32.062 19.464 -2.037 1.00 0.00 C ATOM 223 SD MET A 49 30.349 19.262 -1.488 1.00 0.00 S ATOM 224 CE MET A 49 30.578 17.704 -0.596 1.00 0.00 C ATOM 0 H MET A 49 34.655 17.735 -1.998 1.00 0.00 H new ATOM 0 HA MET A 49 34.415 20.697 -1.750 1.00 0.00 H new ATOM 0 HB2 MET A 49 32.978 18.345 -0.428 1.00 0.00 H new ATOM 0 HB3 MET A 49 32.664 20.024 -0.036 1.00 0.00 H new ATOM 0 HG2 MET A 49 32.187 20.431 -2.525 1.00 0.00 H new ATOM 0 HG3 MET A 49 32.312 18.700 -2.774 1.00 0.00 H new ATOM 0 HE1 MET A 49 29.612 17.217 -0.460 1.00 0.00 H new ATOM 0 HE2 MET A 49 31.236 17.050 -1.168 1.00 0.00 H new ATOM 0 HE3 MET A 49 31.024 17.905 0.378 1.00 0.00 H new ATOM 234 N THR A 50 35.654 20.965 0.422 1.00 0.00 N ATOM 235 CA THR A 50 36.531 21.090 1.620 1.00 0.00 C ATOM 236 C THR A 50 35.776 21.821 2.731 1.00 0.00 C ATOM 237 O THR A 50 34.785 22.482 2.489 1.00 0.00 O ATOM 238 CB THR A 50 37.789 21.882 1.251 1.00 0.00 C ATOM 239 OG1 THR A 50 37.661 22.380 -0.074 1.00 0.00 O ATOM 240 CG2 THR A 50 39.014 20.971 1.339 1.00 0.00 C ATOM 0 H THR A 50 35.353 21.848 0.011 1.00 0.00 H new ATOM 0 HA THR A 50 36.815 20.097 1.967 1.00 0.00 H new ATOM 0 HB THR A 50 37.910 22.715 1.944 1.00 0.00 H new ATOM 0 HG1 THR A 50 38.464 22.889 -0.311 1.00 0.00 H new ATOM 0 HG21 THR A 50 39.908 21.537 1.076 1.00 0.00 H new ATOM 0 HG22 THR A 50 39.112 20.590 2.356 1.00 0.00 H new ATOM 0 HG23 THR A 50 38.897 20.136 0.648 1.00 0.00 H new ATOM 248 N PRO A 51 36.258 21.696 3.977 1.00 0.00 N ATOM 249 CA PRO A 51 35.633 22.341 5.138 1.00 0.00 C ATOM 250 C PRO A 51 35.813 23.862 5.107 1.00 0.00 C ATOM 251 O PRO A 51 34.869 24.611 5.257 1.00 0.00 O ATOM 252 CB PRO A 51 36.387 21.748 6.326 1.00 0.00 C ATOM 253 CG PRO A 51 37.708 21.337 5.767 1.00 0.00 C ATOM 254 CD PRO A 51 37.451 20.916 4.348 1.00 0.00 C ATOM 0 HA PRO A 51 34.557 22.170 5.172 1.00 0.00 H new ATOM 0 HB2 PRO A 51 36.505 22.479 7.125 1.00 0.00 H new ATOM 0 HB3 PRO A 51 35.854 20.897 6.749 1.00 0.00 H new ATOM 0 HG2 PRO A 51 38.420 22.161 5.805 1.00 0.00 H new ATOM 0 HG3 PRO A 51 38.137 20.518 6.344 1.00 0.00 H new ATOM 0 HD2 PRO A 51 38.298 21.143 3.701 1.00 0.00 H new ATOM 0 HD3 PRO A 51 37.271 19.844 4.272 1.00 0.00 H new ATOM 262 N THR A 52 37.018 24.323 4.912 1.00 0.00 N ATOM 263 CA THR A 52 37.253 25.793 4.870 1.00 0.00 C ATOM 264 C THR A 52 36.301 26.429 3.854 1.00 0.00 C ATOM 265 O THR A 52 35.654 27.419 4.131 1.00 0.00 O ATOM 266 CB THR A 52 38.700 26.069 4.455 1.00 0.00 C ATOM 267 OG1 THR A 52 39.581 25.381 5.333 1.00 0.00 O ATOM 268 CG2 THR A 52 38.976 27.571 4.526 1.00 0.00 C ATOM 0 H THR A 52 37.849 23.746 4.780 1.00 0.00 H new ATOM 0 HA THR A 52 37.073 26.219 5.857 1.00 0.00 H new ATOM 0 HB THR A 52 38.858 25.722 3.434 1.00 0.00 H new ATOM 0 HG1 THR A 52 40.508 25.555 5.068 1.00 0.00 H new ATOM 0 HG21 THR A 52 40.007 27.766 4.230 1.00 0.00 H new ATOM 0 HG22 THR A 52 38.300 28.097 3.853 1.00 0.00 H new ATOM 0 HG23 THR A 52 38.819 27.922 5.546 1.00 0.00 H new ATOM 276 N LEU A 53 36.208 25.862 2.683 1.00 0.00 N ATOM 277 CA LEU A 53 35.295 26.431 1.653 1.00 0.00 C ATOM 278 C LEU A 53 33.857 26.379 2.170 1.00 0.00 C ATOM 279 O LEU A 53 33.182 27.385 2.259 1.00 0.00 O ATOM 280 CB LEU A 53 35.404 25.615 0.364 1.00 0.00 C ATOM 281 CG LEU A 53 34.550 26.265 -0.725 1.00 0.00 C ATOM 282 CD1 LEU A 53 35.346 27.387 -1.396 1.00 0.00 C ATOM 283 CD2 LEU A 53 34.167 25.216 -1.770 1.00 0.00 C ATOM 0 H LEU A 53 36.724 25.031 2.395 1.00 0.00 H new ATOM 0 HA LEU A 53 35.574 27.465 1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 53 36.444 25.561 0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 53 35.072 24.592 0.540 1.00 0.00 H new ATOM 0 HG LEU A 53 33.646 26.678 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 53 34.738 27.851 -2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 53 35.617 28.136 -0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 53 36.251 26.975 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 53 33.558 25.681 -2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 53 35.070 24.801 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 53 33.599 24.417 -1.293 1.00 0.00 H new ATOM 295 N LEU A 54 33.384 25.213 2.515 1.00 0.00 N ATOM 296 CA LEU A 54 31.992 25.099 3.031 1.00 0.00 C ATOM 297 C LEU A 54 31.807 26.069 4.199 1.00 0.00 C ATOM 298 O LEU A 54 30.862 26.830 4.242 1.00 0.00 O ATOM 299 CB LEU A 54 31.738 23.668 3.509 1.00 0.00 C ATOM 300 CG LEU A 54 31.746 22.721 2.307 1.00 0.00 C ATOM 301 CD1 LEU A 54 32.429 21.409 2.697 1.00 0.00 C ATOM 302 CD2 LEU A 54 30.306 22.437 1.871 1.00 0.00 C ATOM 0 H LEU A 54 33.901 24.335 2.462 1.00 0.00 H new ATOM 0 HA LEU A 54 31.287 25.343 2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 54 32.504 23.371 4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 54 30.780 23.610 4.025 1.00 0.00 H new ATOM 0 HG LEU A 54 32.290 23.183 1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 54 32.435 20.734 1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 54 33.454 21.611 3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 54 31.885 20.946 3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 54 30.311 21.762 1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.761 21.974 2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 54 29.819 23.372 1.593 1.00 0.00 H new ATOM 314 N ARG A 55 32.706 26.049 5.147 1.00 0.00 N ATOM 315 CA ARG A 55 32.583 26.972 6.310 1.00 0.00 C ATOM 316 C ARG A 55 32.193 28.363 5.809 1.00 0.00 C ATOM 317 O ARG A 55 31.323 29.010 6.355 1.00 0.00 O ATOM 318 CB ARG A 55 33.921 27.051 7.047 1.00 0.00 C ATOM 319 CG ARG A 55 33.746 27.863 8.331 1.00 0.00 C ATOM 320 CD ARG A 55 35.061 27.875 9.114 1.00 0.00 C ATOM 321 NE ARG A 55 34.852 28.550 10.425 1.00 0.00 N ATOM 322 CZ ARG A 55 35.840 28.650 11.273 1.00 0.00 C ATOM 323 NH1 ARG A 55 36.926 29.290 10.935 1.00 0.00 N ATOM 324 NH2 ARG A 55 35.740 28.112 12.457 1.00 0.00 N ATOM 0 H ARG A 55 33.519 25.433 5.165 1.00 0.00 H new ATOM 0 HA ARG A 55 31.818 26.600 6.992 1.00 0.00 H new ATOM 0 HB2 ARG A 55 34.278 26.049 7.283 1.00 0.00 H new ATOM 0 HB3 ARG A 55 34.673 27.516 6.409 1.00 0.00 H new ATOM 0 HG2 ARG A 55 33.445 28.883 8.090 1.00 0.00 H new ATOM 0 HG3 ARG A 55 32.952 27.432 8.941 1.00 0.00 H new ATOM 0 HD2 ARG A 55 35.413 26.855 9.270 1.00 0.00 H new ATOM 0 HD3 ARG A 55 35.831 28.395 8.544 1.00 0.00 H new ATOM 0 HE ARG A 55 33.937 28.934 10.661 1.00 0.00 H new ATOM 0 HH11 ARG A 55 37.002 29.711 10.009 1.00 0.00 H new ATOM 0 HH12 ARG A 55 37.698 29.369 11.597 1.00 0.00 H new ATOM 0 HH21 ARG A 55 34.890 27.613 12.720 1.00 0.00 H new ATOM 0 HH22 ARG A 55 36.512 28.190 13.119 1.00 0.00 H new ATOM 338 N GLY A 56 32.828 28.824 4.766 1.00 0.00 N ATOM 339 CA GLY A 56 32.491 30.170 4.225 1.00 0.00 C ATOM 340 C GLY A 56 31.091 30.127 3.607 1.00 0.00 C ATOM 341 O GLY A 56 30.355 31.093 3.647 1.00 0.00 O ATOM 0 H GLY A 56 33.565 28.327 4.266 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.528 30.915 5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 56 33.224 30.468 3.475 1.00 0.00 H new ATOM 345 N ALA A 57 30.718 29.012 3.040 1.00 0.00 N ATOM 346 CA ALA A 57 29.366 28.905 2.421 1.00 0.00 C ATOM 347 C ALA A 57 28.308 28.840 3.525 1.00 0.00 C ATOM 348 O ALA A 57 27.146 29.113 3.301 1.00 0.00 O ATOM 349 CB ALA A 57 29.294 27.636 1.569 1.00 0.00 C ATOM 0 H ALA A 57 31.291 28.170 2.979 1.00 0.00 H new ATOM 0 HA ALA A 57 29.183 29.775 1.791 1.00 0.00 H new ATOM 0 HB1 ALA A 57 28.306 27.557 1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 57 30.050 27.681 0.785 1.00 0.00 H new ATOM 0 HB3 ALA A 57 29.475 26.765 2.198 1.00 0.00 H new ATOM 355 N PHE A 58 28.703 28.484 4.716 1.00 0.00 N ATOM 356 CA PHE A 58 27.725 28.403 5.839 1.00 0.00 C ATOM 357 C PHE A 58 28.120 29.404 6.928 1.00 0.00 C ATOM 358 O PHE A 58 27.562 29.416 8.007 1.00 0.00 O ATOM 359 CB PHE A 58 27.735 26.988 6.421 1.00 0.00 C ATOM 360 CG PHE A 58 27.200 26.013 5.398 1.00 0.00 C ATOM 361 CD1 PHE A 58 28.067 25.438 4.461 1.00 0.00 C ATOM 362 CD2 PHE A 58 25.840 25.682 5.390 1.00 0.00 C ATOM 363 CE1 PHE A 58 27.573 24.533 3.514 1.00 0.00 C ATOM 364 CE2 PHE A 58 25.346 24.776 4.441 1.00 0.00 C ATOM 365 CZ PHE A 58 26.213 24.201 3.504 1.00 0.00 C ATOM 0 H PHE A 58 29.664 28.245 4.961 1.00 0.00 H new ATOM 0 HA PHE A 58 26.726 28.638 5.471 1.00 0.00 H new ATOM 0 HB2 PHE A 58 28.749 26.709 6.708 1.00 0.00 H new ATOM 0 HB3 PHE A 58 27.127 26.952 7.325 1.00 0.00 H new ATOM 0 HD1 PHE A 58 29.117 25.693 4.469 1.00 0.00 H new ATOM 0 HD2 PHE A 58 25.172 26.124 6.114 1.00 0.00 H new ATOM 0 HE1 PHE A 58 28.242 24.091 2.790 1.00 0.00 H new ATOM 0 HE2 PHE A 58 24.296 24.522 4.433 1.00 0.00 H new ATOM 0 HZ PHE A 58 25.833 23.502 2.774 1.00 0.00 H new ATOM 375 N SER A 59 29.087 30.239 6.656 1.00 0.00 N ATOM 376 CA SER A 59 29.528 31.235 7.673 1.00 0.00 C ATOM 377 C SER A 59 28.529 32.398 7.758 1.00 0.00 C ATOM 378 O SER A 59 28.102 32.771 8.833 1.00 0.00 O ATOM 379 CB SER A 59 30.905 31.779 7.285 1.00 0.00 C ATOM 380 OG SER A 59 31.911 31.063 7.987 1.00 0.00 O ATOM 0 H SER A 59 29.592 30.274 5.770 1.00 0.00 H new ATOM 0 HA SER A 59 29.580 30.744 8.645 1.00 0.00 H new ATOM 0 HB2 SER A 59 31.057 31.681 6.210 1.00 0.00 H new ATOM 0 HB3 SER A 59 30.968 32.841 7.521 1.00 0.00 H new ATOM 0 HG SER A 59 31.909 30.127 7.697 1.00 0.00 H new ATOM 386 N PRO A 60 28.162 32.993 6.610 1.00 0.00 N ATOM 387 CA PRO A 60 27.226 34.127 6.579 1.00 0.00 C ATOM 388 C PRO A 60 25.791 33.711 6.920 1.00 0.00 C ATOM 389 O PRO A 60 25.047 34.461 7.520 1.00 0.00 O ATOM 390 CB PRO A 60 27.302 34.617 5.134 1.00 0.00 C ATOM 391 CG PRO A 60 27.739 33.427 4.350 1.00 0.00 C ATOM 392 CD PRO A 60 28.621 32.617 5.258 1.00 0.00 C ATOM 0 HA PRO A 60 27.489 34.885 7.317 1.00 0.00 H new ATOM 0 HB2 PRO A 60 26.335 34.984 4.790 1.00 0.00 H new ATOM 0 HB3 PRO A 60 28.010 35.439 5.032 1.00 0.00 H new ATOM 0 HG2 PRO A 60 26.880 32.842 4.021 1.00 0.00 H new ATOM 0 HG3 PRO A 60 28.280 33.730 3.454 1.00 0.00 H new ATOM 0 HD2 PRO A 60 28.508 31.548 5.079 1.00 0.00 H new ATOM 0 HD3 PRO A 60 29.675 32.855 5.111 1.00 0.00 H new ATOM 400 N PHE A 61 25.393 32.526 6.545 1.00 0.00 N ATOM 401 CA PHE A 61 24.006 32.078 6.854 1.00 0.00 C ATOM 402 C PHE A 61 23.808 32.037 8.371 1.00 0.00 C ATOM 403 O PHE A 61 22.798 32.472 8.887 1.00 0.00 O ATOM 404 CB PHE A 61 23.776 30.682 6.271 1.00 0.00 C ATOM 405 CG PHE A 61 23.694 30.772 4.767 1.00 0.00 C ATOM 406 CD1 PHE A 61 22.505 31.179 4.152 1.00 0.00 C ATOM 407 CD2 PHE A 61 24.809 30.446 3.987 1.00 0.00 C ATOM 408 CE1 PHE A 61 22.431 31.262 2.756 1.00 0.00 C ATOM 409 CE2 PHE A 61 24.737 30.528 2.592 1.00 0.00 C ATOM 410 CZ PHE A 61 23.546 30.936 1.976 1.00 0.00 C ATOM 0 H PHE A 61 25.966 31.851 6.040 1.00 0.00 H new ATOM 0 HA PHE A 61 23.294 32.776 6.414 1.00 0.00 H new ATOM 0 HB2 PHE A 61 24.588 30.016 6.562 1.00 0.00 H new ATOM 0 HB3 PHE A 61 22.856 30.256 6.671 1.00 0.00 H new ATOM 0 HD1 PHE A 61 21.644 31.429 4.754 1.00 0.00 H new ATOM 0 HD2 PHE A 61 25.726 30.131 4.462 1.00 0.00 H new ATOM 0 HE1 PHE A 61 21.514 31.578 2.282 1.00 0.00 H new ATOM 0 HE2 PHE A 61 25.598 30.277 1.991 1.00 0.00 H new ATOM 0 HZ PHE A 61 23.489 30.999 0.899 1.00 0.00 H new ATOM 420 N GLY A 62 24.764 31.515 9.089 1.00 0.00 N ATOM 421 CA GLY A 62 24.629 31.446 10.572 1.00 0.00 C ATOM 422 C GLY A 62 25.933 30.923 11.179 1.00 0.00 C ATOM 423 O GLY A 62 26.946 30.831 10.514 1.00 0.00 O ATOM 0 H GLY A 62 25.632 31.133 8.714 1.00 0.00 H new ATOM 0 HA2 GLY A 62 24.399 32.433 10.973 1.00 0.00 H new ATOM 0 HA3 GLY A 62 23.801 30.791 10.842 1.00 0.00 H new ATOM 427 N ASN A 63 25.916 30.578 12.438 1.00 0.00 N ATOM 428 CA ASN A 63 27.153 30.062 13.087 1.00 0.00 C ATOM 429 C ASN A 63 27.113 28.532 13.114 1.00 0.00 C ATOM 430 O ASN A 63 26.072 27.933 13.292 1.00 0.00 O ATOM 431 CB ASN A 63 27.241 30.596 14.518 1.00 0.00 C ATOM 432 CG ASN A 63 27.362 32.121 14.485 1.00 0.00 C ATOM 433 OD1 ASN A 63 27.898 32.680 13.548 1.00 0.00 O ATOM 434 ND2 ASN A 63 26.882 32.823 15.474 1.00 0.00 N ATOM 0 H ASN A 63 25.098 30.632 13.045 1.00 0.00 H new ATOM 0 HA ASN A 63 28.025 30.394 12.523 1.00 0.00 H new ATOM 0 HB2 ASN A 63 26.356 30.303 15.082 1.00 0.00 H new ATOM 0 HB3 ASN A 63 28.102 30.163 15.027 1.00 0.00 H new ATOM 0 HD21 ASN A 63 26.957 33.840 15.461 1.00 0.00 H new ATOM 0 HD22 ASN A 63 26.432 32.355 16.261 1.00 0.00 H new ATOM 441 N ILE A 64 28.239 27.895 12.936 1.00 0.00 N ATOM 442 CA ILE A 64 28.261 26.406 12.950 1.00 0.00 C ATOM 443 C ILE A 64 28.864 25.915 14.269 1.00 0.00 C ATOM 444 O ILE A 64 29.921 26.350 14.679 1.00 0.00 O ATOM 445 CB ILE A 64 29.108 25.898 11.781 1.00 0.00 C ATOM 446 CG1 ILE A 64 28.575 26.485 10.472 1.00 0.00 C ATOM 447 CG2 ILE A 64 29.031 24.371 11.722 1.00 0.00 C ATOM 448 CD1 ILE A 64 29.657 26.398 9.394 1.00 0.00 C ATOM 0 H ILE A 64 29.143 28.342 12.782 1.00 0.00 H new ATOM 0 HA ILE A 64 27.244 26.027 12.854 1.00 0.00 H new ATOM 0 HB ILE A 64 30.144 26.205 11.923 1.00 0.00 H new ATOM 0 HG12 ILE A 64 27.685 25.942 10.153 1.00 0.00 H new ATOM 0 HG13 ILE A 64 28.278 27.523 10.621 1.00 0.00 H new ATOM 0 HG21 ILE A 64 29.634 24.008 10.890 1.00 0.00 H new ATOM 0 HG22 ILE A 64 29.409 23.951 12.654 1.00 0.00 H new ATOM 0 HG23 ILE A 64 27.995 24.064 11.580 1.00 0.00 H new ATOM 0 HD11 ILE A 64 29.277 26.816 8.462 1.00 0.00 H new ATOM 0 HD12 ILE A 64 30.534 26.961 9.713 1.00 0.00 H new ATOM 0 HD13 ILE A 64 29.932 25.355 9.238 1.00 0.00 H new ATOM 460 N ILE A 65 28.197 25.014 14.936 1.00 0.00 N ATOM 461 CA ILE A 65 28.729 24.496 16.229 1.00 0.00 C ATOM 462 C ILE A 65 29.475 23.183 15.988 1.00 0.00 C ATOM 463 O ILE A 65 30.305 22.775 16.777 1.00 0.00 O ATOM 464 CB ILE A 65 27.568 24.250 17.195 1.00 0.00 C ATOM 465 CG1 ILE A 65 26.739 23.061 16.705 1.00 0.00 C ATOM 466 CG2 ILE A 65 26.682 25.497 17.254 1.00 0.00 C ATOM 467 CD1 ILE A 65 25.588 22.804 17.681 1.00 0.00 C ATOM 0 H ILE A 65 27.306 24.614 14.642 1.00 0.00 H new ATOM 0 HA ILE A 65 29.413 25.228 16.658 1.00 0.00 H new ATOM 0 HB ILE A 65 27.962 24.034 18.188 1.00 0.00 H new ATOM 0 HG12 ILE A 65 26.346 23.264 15.709 1.00 0.00 H new ATOM 0 HG13 ILE A 65 27.367 22.174 16.626 1.00 0.00 H new ATOM 0 HG21 ILE A 65 25.854 25.323 17.942 1.00 0.00 H new ATOM 0 HG22 ILE A 65 27.271 26.346 17.602 1.00 0.00 H new ATOM 0 HG23 ILE A 65 26.289 25.711 16.260 1.00 0.00 H new ATOM 0 HD11 ILE A 65 24.997 21.957 17.332 1.00 0.00 H new ATOM 0 HD12 ILE A 65 25.991 22.583 18.669 1.00 0.00 H new ATOM 0 HD13 ILE A 65 24.955 23.689 17.738 1.00 0.00 H new ATOM 479 N ASP A 66 29.188 22.516 14.904 1.00 0.00 N ATOM 480 CA ASP A 66 29.883 21.229 14.615 1.00 0.00 C ATOM 481 C ASP A 66 30.097 21.090 13.107 1.00 0.00 C ATOM 482 O ASP A 66 29.165 20.894 12.353 1.00 0.00 O ATOM 483 CB ASP A 66 29.027 20.064 15.117 1.00 0.00 C ATOM 484 CG ASP A 66 29.811 18.758 14.975 1.00 0.00 C ATOM 485 OD1 ASP A 66 30.984 18.827 14.645 1.00 0.00 O ATOM 486 OD2 ASP A 66 29.227 17.711 15.201 1.00 0.00 O ATOM 0 H ASP A 66 28.503 22.806 14.206 1.00 0.00 H new ATOM 0 HA ASP A 66 30.848 21.217 15.121 1.00 0.00 H new ATOM 0 HB2 ASP A 66 28.751 20.224 16.159 1.00 0.00 H new ATOM 0 HB3 ASP A 66 28.100 20.008 14.547 1.00 0.00 H new ATOM 491 N LEU A 67 31.320 21.189 12.662 1.00 0.00 N ATOM 492 CA LEU A 67 31.593 21.062 11.203 1.00 0.00 C ATOM 493 C LEU A 67 32.287 19.725 10.929 1.00 0.00 C ATOM 494 O LEU A 67 33.343 19.442 11.461 1.00 0.00 O ATOM 495 CB LEU A 67 32.500 22.209 10.753 1.00 0.00 C ATOM 496 CG LEU A 67 32.854 22.030 9.275 1.00 0.00 C ATOM 497 CD1 LEU A 67 31.684 22.502 8.409 1.00 0.00 C ATOM 498 CD2 LEU A 67 34.098 22.857 8.945 1.00 0.00 C ATOM 0 H LEU A 67 32.141 21.352 13.245 1.00 0.00 H new ATOM 0 HA LEU A 67 30.654 21.104 10.652 1.00 0.00 H new ATOM 0 HB2 LEU A 67 31.998 23.165 10.905 1.00 0.00 H new ATOM 0 HB3 LEU A 67 33.408 22.227 11.356 1.00 0.00 H new ATOM 0 HG LEU A 67 33.053 20.977 9.074 1.00 0.00 H new ATOM 0 HD11 LEU A 67 31.936 22.375 7.356 1.00 0.00 H new ATOM 0 HD12 LEU A 67 30.797 21.913 8.644 1.00 0.00 H new ATOM 0 HD13 LEU A 67 31.484 23.555 8.609 1.00 0.00 H new ATOM 0 HD21 LEU A 67 34.351 22.730 7.892 1.00 0.00 H new ATOM 0 HD22 LEU A 67 33.899 23.910 9.146 1.00 0.00 H new ATOM 0 HD23 LEU A 67 34.932 22.521 9.561 1.00 0.00 H new ATOM 510 N SER A 68 31.701 18.900 10.104 1.00 0.00 N ATOM 511 CA SER A 68 32.327 17.582 9.798 1.00 0.00 C ATOM 512 C SER A 68 32.358 17.373 8.282 1.00 0.00 C ATOM 513 O SER A 68 31.415 17.688 7.583 1.00 0.00 O ATOM 514 CB SER A 68 31.510 16.466 10.452 1.00 0.00 C ATOM 515 OG SER A 68 32.199 15.231 10.314 1.00 0.00 O ATOM 0 H SER A 68 30.817 19.082 9.629 1.00 0.00 H new ATOM 0 HA SER A 68 33.345 17.562 10.188 1.00 0.00 H new ATOM 0 HB2 SER A 68 31.349 16.689 11.507 1.00 0.00 H new ATOM 0 HB3 SER A 68 30.527 16.400 9.986 1.00 0.00 H new ATOM 0 HG SER A 68 31.677 14.516 10.734 1.00 0.00 H new ATOM 521 N MET A 69 33.434 16.845 7.767 1.00 0.00 N ATOM 522 CA MET A 69 33.523 16.617 6.297 1.00 0.00 C ATOM 523 C MET A 69 33.597 15.114 6.016 1.00 0.00 C ATOM 524 O MET A 69 34.088 14.346 6.818 1.00 0.00 O ATOM 525 CB MET A 69 34.780 17.299 5.753 1.00 0.00 C ATOM 526 CG MET A 69 34.653 18.815 5.925 1.00 0.00 C ATOM 527 SD MET A 69 33.311 19.429 4.877 1.00 0.00 S ATOM 528 CE MET A 69 34.061 19.013 3.283 1.00 0.00 C ATOM 0 H MET A 69 34.256 16.561 8.301 1.00 0.00 H new ATOM 0 HA MET A 69 32.641 17.034 5.810 1.00 0.00 H new ATOM 0 HB2 MET A 69 35.662 16.935 6.281 1.00 0.00 H new ATOM 0 HB3 MET A 69 34.914 17.052 4.700 1.00 0.00 H new ATOM 0 HG2 MET A 69 34.454 19.058 6.969 1.00 0.00 H new ATOM 0 HG3 MET A 69 35.590 19.302 5.657 1.00 0.00 H new ATOM 0 HE1 MET A 69 33.916 19.839 2.586 1.00 0.00 H new ATOM 0 HE2 MET A 69 35.128 18.835 3.418 1.00 0.00 H new ATOM 0 HE3 MET A 69 33.591 18.114 2.883 1.00 0.00 H new ATOM 538 N ASP A 70 33.110 14.688 4.881 1.00 0.00 N ATOM 539 CA ASP A 70 33.152 13.236 4.550 1.00 0.00 C ATOM 540 C ASP A 70 33.688 13.051 3.129 1.00 0.00 C ATOM 541 O ASP A 70 32.956 13.141 2.164 1.00 0.00 O ATOM 542 CB ASP A 70 31.739 12.652 4.643 1.00 0.00 C ATOM 543 CG ASP A 70 31.809 11.233 5.213 1.00 0.00 C ATOM 544 OD1 ASP A 70 32.908 10.773 5.473 1.00 0.00 O ATOM 545 OD2 ASP A 70 30.761 10.632 5.380 1.00 0.00 O ATOM 0 H ASP A 70 32.685 15.283 4.170 1.00 0.00 H new ATOM 0 HA ASP A 70 33.806 12.721 5.254 1.00 0.00 H new ATOM 0 HB2 ASP A 70 31.116 13.280 5.279 1.00 0.00 H new ATOM 0 HB3 ASP A 70 31.275 12.637 3.657 1.00 0.00 H new ATOM 550 N PRO A 71 34.998 12.789 3.004 1.00 0.00 N ATOM 551 CA PRO A 71 35.639 12.593 1.703 1.00 0.00 C ATOM 552 C PRO A 71 35.324 11.227 1.058 1.00 0.00 C ATOM 553 O PRO A 71 35.340 11.110 -0.152 1.00 0.00 O ATOM 554 CB PRO A 71 37.129 12.704 2.015 1.00 0.00 C ATOM 555 CG PRO A 71 37.263 12.341 3.457 1.00 0.00 C ATOM 556 CD PRO A 71 35.950 12.670 4.124 1.00 0.00 C ATOM 0 HA PRO A 71 35.280 13.322 0.977 1.00 0.00 H new ATOM 0 HB2 PRO A 71 37.713 12.032 1.385 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.495 13.714 1.829 1.00 0.00 H new ATOM 0 HG2 PRO A 71 37.496 11.282 3.567 1.00 0.00 H new ATOM 0 HG3 PRO A 71 38.079 12.896 3.919 1.00 0.00 H new ATOM 0 HD2 PRO A 71 35.650 11.888 4.821 1.00 0.00 H new ATOM 0 HD3 PRO A 71 36.013 13.597 4.694 1.00 0.00 H new ATOM 564 N PRO A 72 35.036 10.169 1.850 1.00 0.00 N ATOM 565 CA PRO A 72 34.733 8.849 1.286 1.00 0.00 C ATOM 566 C PRO A 72 33.326 8.797 0.682 1.00 0.00 C ATOM 567 O PRO A 72 33.053 8.020 -0.211 1.00 0.00 O ATOM 568 CB PRO A 72 34.818 7.911 2.485 1.00 0.00 C ATOM 569 CG PRO A 72 34.531 8.771 3.669 1.00 0.00 C ATOM 570 CD PRO A 72 34.983 10.164 3.327 1.00 0.00 C ATOM 0 HA PRO A 72 35.416 8.588 0.478 1.00 0.00 H new ATOM 0 HB2 PRO A 72 34.096 7.099 2.403 1.00 0.00 H new ATOM 0 HB3 PRO A 72 35.805 7.454 2.559 1.00 0.00 H new ATOM 0 HG2 PRO A 72 33.467 8.759 3.904 1.00 0.00 H new ATOM 0 HG3 PRO A 72 35.057 8.401 4.549 1.00 0.00 H new ATOM 0 HD2 PRO A 72 34.287 10.913 3.704 1.00 0.00 H new ATOM 0 HD3 PRO A 72 35.957 10.386 3.762 1.00 0.00 H new ATOM 578 N ARG A 73 32.431 9.614 1.164 1.00 0.00 N ATOM 579 CA ARG A 73 31.044 9.607 0.619 1.00 0.00 C ATOM 580 C ARG A 73 30.801 10.885 -0.188 1.00 0.00 C ATOM 581 O ARG A 73 29.743 11.079 -0.756 1.00 0.00 O ATOM 582 CB ARG A 73 30.043 9.536 1.774 1.00 0.00 C ATOM 583 CG ARG A 73 30.259 8.237 2.554 1.00 0.00 C ATOM 584 CD ARG A 73 29.200 8.119 3.652 1.00 0.00 C ATOM 585 NE ARG A 73 29.526 6.961 4.532 1.00 0.00 N ATOM 586 CZ ARG A 73 30.245 7.139 5.607 1.00 0.00 C ATOM 587 NH1 ARG A 73 29.929 8.079 6.456 1.00 0.00 N ATOM 588 NH2 ARG A 73 31.281 6.378 5.831 1.00 0.00 N ATOM 0 H ARG A 73 32.600 10.287 1.912 1.00 0.00 H new ATOM 0 HA ARG A 73 30.915 8.740 -0.029 1.00 0.00 H new ATOM 0 HB2 ARG A 73 30.170 10.395 2.433 1.00 0.00 H new ATOM 0 HB3 ARG A 73 29.024 9.577 1.390 1.00 0.00 H new ATOM 0 HG2 ARG A 73 30.197 7.382 1.881 1.00 0.00 H new ATOM 0 HG3 ARG A 73 31.256 8.226 2.993 1.00 0.00 H new ATOM 0 HD2 ARG A 73 29.165 9.037 4.239 1.00 0.00 H new ATOM 0 HD3 ARG A 73 28.213 7.986 3.208 1.00 0.00 H new ATOM 0 HE ARG A 73 29.187 6.029 4.294 1.00 0.00 H new ATOM 0 HH11 ARG A 73 29.120 8.675 6.280 1.00 0.00 H new ATOM 0 HH12 ARG A 73 30.491 8.218 7.296 1.00 0.00 H new ATOM 0 HH21 ARG A 73 31.528 5.645 5.166 1.00 0.00 H new ATOM 0 HH22 ARG A 73 31.843 6.516 6.671 1.00 0.00 H new ATOM 602 N ASN A 74 31.768 11.759 -0.245 1.00 0.00 N ATOM 603 CA ASN A 74 31.588 13.020 -1.016 1.00 0.00 C ATOM 604 C ASN A 74 30.442 13.833 -0.410 1.00 0.00 C ATOM 605 O ASN A 74 29.617 14.379 -1.113 1.00 0.00 O ATOM 606 CB ASN A 74 31.258 12.684 -2.472 1.00 0.00 C ATOM 607 CG ASN A 74 32.430 11.924 -3.098 1.00 0.00 C ATOM 608 OD1 ASN A 74 33.525 11.935 -2.574 1.00 0.00 O ATOM 609 ND2 ASN A 74 32.242 11.260 -4.205 1.00 0.00 N ATOM 0 H ASN A 74 32.675 11.654 0.209 1.00 0.00 H new ATOM 0 HA ASN A 74 32.508 13.603 -0.975 1.00 0.00 H new ATOM 0 HB2 ASN A 74 30.352 12.081 -2.521 1.00 0.00 H new ATOM 0 HB3 ASN A 74 31.063 13.598 -3.032 1.00 0.00 H new ATOM 0 HD21 ASN A 74 33.015 10.749 -4.631 1.00 0.00 H new ATOM 0 HD22 ASN A 74 31.322 11.251 -4.644 1.00 0.00 H new ATOM 616 N CYS A 75 30.387 13.919 0.891 1.00 0.00 N ATOM 617 CA CYS A 75 29.295 14.698 1.541 1.00 0.00 C ATOM 618 C CYS A 75 29.824 15.347 2.821 1.00 0.00 C ATOM 619 O CYS A 75 30.608 14.765 3.545 1.00 0.00 O ATOM 620 CB CYS A 75 28.134 13.762 1.884 1.00 0.00 C ATOM 621 SG CYS A 75 28.702 12.494 3.045 1.00 0.00 S ATOM 0 H CYS A 75 31.051 13.484 1.532 1.00 0.00 H new ATOM 0 HA CYS A 75 28.946 15.473 0.859 1.00 0.00 H new ATOM 0 HB2 CYS A 75 27.313 14.329 2.322 1.00 0.00 H new ATOM 0 HB3 CYS A 75 27.750 13.294 0.977 1.00 0.00 H new ATOM 0 HG CYS A 75 28.189 12.719 4.218 1.00 0.00 H new ATOM 627 N ALA A 76 29.405 16.550 3.106 1.00 0.00 N ATOM 628 CA ALA A 76 29.887 17.235 4.339 1.00 0.00 C ATOM 629 C ALA A 76 28.718 17.430 5.307 1.00 0.00 C ATOM 630 O ALA A 76 27.566 17.360 4.927 1.00 0.00 O ATOM 631 CB ALA A 76 30.476 18.598 3.968 1.00 0.00 C ATOM 0 H ALA A 76 28.750 17.088 2.538 1.00 0.00 H new ATOM 0 HA ALA A 76 30.654 16.625 4.816 1.00 0.00 H new ATOM 0 HB1 ALA A 76 30.829 19.099 4.869 1.00 0.00 H new ATOM 0 HB2 ALA A 76 31.310 18.459 3.280 1.00 0.00 H new ATOM 0 HB3 ALA A 76 29.709 19.208 3.490 1.00 0.00 H new ATOM 637 N PHE A 77 29.005 17.674 6.557 1.00 0.00 N ATOM 638 CA PHE A 77 27.911 17.872 7.550 1.00 0.00 C ATOM 639 C PHE A 77 28.087 19.229 8.236 1.00 0.00 C ATOM 640 O PHE A 77 29.158 19.566 8.699 1.00 0.00 O ATOM 641 CB PHE A 77 27.968 16.759 8.598 1.00 0.00 C ATOM 642 CG PHE A 77 27.691 15.430 7.937 1.00 0.00 C ATOM 643 CD1 PHE A 77 26.372 15.037 7.681 1.00 0.00 C ATOM 644 CD2 PHE A 77 28.754 14.591 7.578 1.00 0.00 C ATOM 645 CE1 PHE A 77 26.115 13.804 7.068 1.00 0.00 C ATOM 646 CE2 PHE A 77 28.496 13.359 6.964 1.00 0.00 C ATOM 647 CZ PHE A 77 27.177 12.966 6.709 1.00 0.00 C ATOM 0 H PHE A 77 29.950 17.745 6.933 1.00 0.00 H new ATOM 0 HA PHE A 77 26.947 17.844 7.042 1.00 0.00 H new ATOM 0 HB2 PHE A 77 28.948 16.743 9.074 1.00 0.00 H new ATOM 0 HB3 PHE A 77 27.235 16.946 9.383 1.00 0.00 H new ATOM 0 HD1 PHE A 77 25.553 15.684 7.956 1.00 0.00 H new ATOM 0 HD2 PHE A 77 29.772 14.894 7.775 1.00 0.00 H new ATOM 0 HE1 PHE A 77 25.097 13.500 6.872 1.00 0.00 H new ATOM 0 HE2 PHE A 77 29.315 12.712 6.687 1.00 0.00 H new ATOM 0 HZ PHE A 77 26.979 12.016 6.235 1.00 0.00 H new ATOM 657 N VAL A 78 27.043 20.012 8.306 1.00 0.00 N ATOM 658 CA VAL A 78 27.157 21.346 8.962 1.00 0.00 C ATOM 659 C VAL A 78 26.047 21.502 10.004 1.00 0.00 C ATOM 660 O VAL A 78 24.892 21.235 9.740 1.00 0.00 O ATOM 661 CB VAL A 78 27.026 22.445 7.909 1.00 0.00 C ATOM 662 CG1 VAL A 78 27.272 23.808 8.561 1.00 0.00 C ATOM 663 CG2 VAL A 78 28.056 22.217 6.801 1.00 0.00 C ATOM 0 H VAL A 78 26.119 19.786 7.938 1.00 0.00 H new ATOM 0 HA VAL A 78 28.127 21.426 9.452 1.00 0.00 H new ATOM 0 HB VAL A 78 26.023 22.421 7.483 1.00 0.00 H new ATOM 0 HG11 VAL A 78 27.179 24.593 7.810 1.00 0.00 H new ATOM 0 HG12 VAL A 78 26.538 23.972 9.350 1.00 0.00 H new ATOM 0 HG13 VAL A 78 28.275 23.832 8.988 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.962 23.001 6.050 1.00 0.00 H new ATOM 0 HG22 VAL A 78 29.059 22.240 7.226 1.00 0.00 H new ATOM 0 HG23 VAL A 78 27.881 21.247 6.336 1.00 0.00 H new ATOM 673 N THR A 79 26.388 21.935 11.189 1.00 0.00 N ATOM 674 CA THR A 79 25.352 22.109 12.245 1.00 0.00 C ATOM 675 C THR A 79 25.081 23.600 12.458 1.00 0.00 C ATOM 676 O THR A 79 25.975 24.366 12.756 1.00 0.00 O ATOM 677 CB THR A 79 25.850 21.491 13.554 1.00 0.00 C ATOM 678 OG1 THR A 79 26.421 20.218 13.288 1.00 0.00 O ATOM 679 CG2 THR A 79 24.679 21.335 14.525 1.00 0.00 C ATOM 0 H THR A 79 27.339 22.175 11.470 1.00 0.00 H new ATOM 0 HA THR A 79 24.432 21.614 11.934 1.00 0.00 H new ATOM 0 HB THR A 79 26.603 22.141 13.999 1.00 0.00 H new ATOM 0 HG1 THR A 79 27.296 20.334 12.863 1.00 0.00 H new ATOM 0 HG21 THR A 79 25.035 20.895 15.457 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.243 22.313 14.729 1.00 0.00 H new ATOM 0 HG23 THR A 79 23.923 20.686 14.082 1.00 0.00 H new ATOM 687 N TYR A 80 23.852 24.017 12.311 1.00 0.00 N ATOM 688 CA TYR A 80 23.525 25.458 12.508 1.00 0.00 C ATOM 689 C TYR A 80 22.881 25.647 13.883 1.00 0.00 C ATOM 690 O TYR A 80 21.917 24.991 14.221 1.00 0.00 O ATOM 691 CB TYR A 80 22.546 25.911 11.424 1.00 0.00 C ATOM 692 CG TYR A 80 23.313 26.514 10.273 1.00 0.00 C ATOM 693 CD1 TYR A 80 24.326 27.449 10.518 1.00 0.00 C ATOM 694 CD2 TYR A 80 23.009 26.139 8.959 1.00 0.00 C ATOM 695 CE1 TYR A 80 25.035 28.008 9.448 1.00 0.00 C ATOM 696 CE2 TYR A 80 23.718 26.697 7.890 1.00 0.00 C ATOM 697 CZ TYR A 80 24.731 27.632 8.133 1.00 0.00 C ATOM 698 OH TYR A 80 25.428 28.184 7.080 1.00 0.00 O ATOM 0 H TYR A 80 23.061 23.422 12.063 1.00 0.00 H new ATOM 0 HA TYR A 80 24.437 26.051 12.445 1.00 0.00 H new ATOM 0 HB2 TYR A 80 21.954 25.064 11.077 1.00 0.00 H new ATOM 0 HB3 TYR A 80 21.848 26.642 11.832 1.00 0.00 H new ATOM 0 HD1 TYR A 80 24.560 27.739 11.532 1.00 0.00 H new ATOM 0 HD2 TYR A 80 22.227 25.419 8.771 1.00 0.00 H new ATOM 0 HE1 TYR A 80 25.816 28.729 9.636 1.00 0.00 H new ATOM 0 HE2 TYR A 80 23.484 26.406 6.877 1.00 0.00 H new ATOM 0 HH TYR A 80 25.954 28.947 7.400 1.00 0.00 H new ATOM 708 N GLU A 81 23.409 26.536 14.681 1.00 0.00 N ATOM 709 CA GLU A 81 22.830 26.762 16.035 1.00 0.00 C ATOM 710 C GLU A 81 21.303 26.788 15.944 1.00 0.00 C ATOM 711 O GLU A 81 20.617 26.139 16.707 1.00 0.00 O ATOM 712 CB GLU A 81 23.330 28.096 16.592 1.00 0.00 C ATOM 713 CG GLU A 81 22.876 28.243 18.045 1.00 0.00 C ATOM 714 CD GLU A 81 23.347 29.593 18.593 1.00 0.00 C ATOM 715 OE1 GLU A 81 23.959 30.333 17.840 1.00 0.00 O ATOM 716 OE2 GLU A 81 23.087 29.862 19.753 1.00 0.00 O ATOM 0 H GLU A 81 24.217 27.115 14.453 1.00 0.00 H new ATOM 0 HA GLU A 81 23.140 25.954 16.697 1.00 0.00 H new ATOM 0 HB2 GLU A 81 24.417 28.142 16.533 1.00 0.00 H new ATOM 0 HB3 GLU A 81 22.943 28.921 15.993 1.00 0.00 H new ATOM 0 HG2 GLU A 81 21.790 28.172 18.107 1.00 0.00 H new ATOM 0 HG3 GLU A 81 23.283 27.432 18.648 1.00 0.00 H new ATOM 723 N LYS A 82 20.765 27.530 15.018 1.00 0.00 N ATOM 724 CA LYS A 82 19.282 27.591 14.885 1.00 0.00 C ATOM 725 C LYS A 82 18.856 26.898 13.590 1.00 0.00 C ATOM 726 O LYS A 82 19.609 26.819 12.641 1.00 0.00 O ATOM 727 CB LYS A 82 18.831 29.052 14.852 1.00 0.00 C ATOM 728 CG LYS A 82 19.233 29.740 16.158 1.00 0.00 C ATOM 729 CD LYS A 82 18.686 31.169 16.171 1.00 0.00 C ATOM 730 CE LYS A 82 19.304 31.941 17.339 1.00 0.00 C ATOM 731 NZ LYS A 82 18.230 32.652 18.088 1.00 0.00 N ATOM 0 H LYS A 82 21.286 28.096 14.348 1.00 0.00 H new ATOM 0 HA LYS A 82 18.822 27.088 15.735 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.285 29.565 14.004 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.751 29.107 14.717 1.00 0.00 H new ATOM 0 HG2 LYS A 82 18.844 29.182 17.010 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.319 29.754 16.255 1.00 0.00 H new ATOM 0 HD2 LYS A 82 18.917 31.667 15.229 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.600 31.153 16.265 1.00 0.00 H new ATOM 0 HE2 LYS A 82 19.833 31.256 18.002 1.00 0.00 H new ATOM 0 HE3 LYS A 82 20.038 32.656 16.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 18.649 33.177 18.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.744 33.316 17.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 17.545 31.960 18.454 1.00 0.00 H new ATOM 745 N MET A 83 17.654 26.395 13.545 1.00 0.00 N ATOM 746 CA MET A 83 17.180 25.706 12.312 1.00 0.00 C ATOM 747 C MET A 83 16.905 26.745 11.222 1.00 0.00 C ATOM 748 O MET A 83 16.803 26.422 10.055 1.00 0.00 O ATOM 749 CB MET A 83 15.896 24.935 12.621 1.00 0.00 C ATOM 750 CG MET A 83 16.184 23.880 13.693 1.00 0.00 C ATOM 751 SD MET A 83 14.646 23.032 14.132 1.00 0.00 S ATOM 752 CE MET A 83 15.243 22.260 15.657 1.00 0.00 C ATOM 0 H MET A 83 16.979 26.431 14.309 1.00 0.00 H new ATOM 0 HA MET A 83 17.945 25.011 11.966 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.122 25.620 12.967 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.518 24.458 11.717 1.00 0.00 H new ATOM 0 HG2 MET A 83 16.916 23.161 13.324 1.00 0.00 H new ATOM 0 HG3 MET A 83 16.617 24.351 14.575 1.00 0.00 H new ATOM 0 HE1 MET A 83 14.441 21.675 16.107 1.00 0.00 H new ATOM 0 HE2 MET A 83 16.085 21.607 15.429 1.00 0.00 H new ATOM 0 HE3 MET A 83 15.563 23.033 16.355 1.00 0.00 H new ATOM 762 N GLU A 84 16.787 27.991 11.593 1.00 0.00 N ATOM 763 CA GLU A 84 16.520 29.048 10.579 1.00 0.00 C ATOM 764 C GLU A 84 17.779 29.278 9.739 1.00 0.00 C ATOM 765 O GLU A 84 17.715 29.443 8.537 1.00 0.00 O ATOM 766 CB GLU A 84 16.136 30.349 11.286 1.00 0.00 C ATOM 767 CG GLU A 84 14.800 30.161 12.008 1.00 0.00 C ATOM 768 CD GLU A 84 13.712 29.820 10.988 1.00 0.00 C ATOM 769 OE1 GLU A 84 13.937 30.053 9.812 1.00 0.00 O ATOM 770 OE2 GLU A 84 12.672 29.332 11.400 1.00 0.00 O ATOM 0 H GLU A 84 16.864 28.322 12.555 1.00 0.00 H new ATOM 0 HA GLU A 84 15.702 28.731 9.931 1.00 0.00 H new ATOM 0 HB2 GLU A 84 16.911 30.630 11.999 1.00 0.00 H new ATOM 0 HB3 GLU A 84 16.059 31.160 10.562 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.883 29.364 12.747 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.535 31.070 12.548 1.00 0.00 H new ATOM 777 N SER A 85 18.925 29.288 10.363 1.00 0.00 N ATOM 778 CA SER A 85 20.186 29.505 9.600 1.00 0.00 C ATOM 779 C SER A 85 20.328 28.415 8.535 1.00 0.00 C ATOM 780 O SER A 85 20.749 28.670 7.424 1.00 0.00 O ATOM 781 CB SER A 85 21.378 29.441 10.556 1.00 0.00 C ATOM 782 OG SER A 85 22.581 29.364 9.807 1.00 0.00 O ATOM 0 H SER A 85 19.042 29.155 11.368 1.00 0.00 H new ATOM 0 HA SER A 85 20.158 30.483 9.120 1.00 0.00 H new ATOM 0 HB2 SER A 85 21.392 30.323 11.197 1.00 0.00 H new ATOM 0 HB3 SER A 85 21.288 28.573 11.210 1.00 0.00 H new ATOM 0 HG SER A 85 22.883 28.433 9.768 1.00 0.00 H new ATOM 788 N ALA A 86 19.978 27.203 8.867 1.00 0.00 N ATOM 789 CA ALA A 86 20.091 26.097 7.876 1.00 0.00 C ATOM 790 C ALA A 86 19.076 26.314 6.753 1.00 0.00 C ATOM 791 O ALA A 86 19.347 26.050 5.598 1.00 0.00 O ATOM 792 CB ALA A 86 19.807 24.763 8.569 1.00 0.00 C ATOM 0 H ALA A 86 19.619 26.931 9.782 1.00 0.00 H new ATOM 0 HA ALA A 86 21.098 26.083 7.458 1.00 0.00 H new ATOM 0 HB1 ALA A 86 19.889 23.952 7.845 1.00 0.00 H new ATOM 0 HB2 ALA A 86 20.529 24.608 9.371 1.00 0.00 H new ATOM 0 HB3 ALA A 86 18.800 24.777 8.986 1.00 0.00 H new ATOM 798 N ASP A 87 17.908 26.792 7.082 1.00 0.00 N ATOM 799 CA ASP A 87 16.876 27.025 6.033 1.00 0.00 C ATOM 800 C ASP A 87 17.405 28.028 5.007 1.00 0.00 C ATOM 801 O ASP A 87 17.213 27.873 3.817 1.00 0.00 O ATOM 802 CB ASP A 87 15.607 27.580 6.683 1.00 0.00 C ATOM 803 CG ASP A 87 14.480 27.621 5.649 1.00 0.00 C ATOM 804 OD1 ASP A 87 14.693 27.133 4.551 1.00 0.00 O ATOM 805 OD2 ASP A 87 13.424 28.139 5.972 1.00 0.00 O ATOM 0 H ASP A 87 17.623 27.031 8.032 1.00 0.00 H new ATOM 0 HA ASP A 87 16.648 26.084 5.533 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.316 26.957 7.529 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.793 28.580 7.073 1.00 0.00 H new ATOM 810 N GLN A 88 18.072 29.057 5.456 1.00 0.00 N ATOM 811 CA GLN A 88 18.612 30.067 4.503 1.00 0.00 C ATOM 812 C GLN A 88 19.835 29.489 3.787 1.00 0.00 C ATOM 813 O GLN A 88 20.006 29.657 2.596 1.00 0.00 O ATOM 814 CB GLN A 88 19.018 31.327 5.270 1.00 0.00 C ATOM 815 CG GLN A 88 19.416 32.421 4.276 1.00 0.00 C ATOM 816 CD GLN A 88 19.896 33.655 5.042 1.00 0.00 C ATOM 817 OE1 GLN A 88 19.792 33.713 6.252 1.00 0.00 O ATOM 818 NE2 GLN A 88 20.420 34.654 4.385 1.00 0.00 N ATOM 0 H GLN A 88 18.266 29.241 6.440 1.00 0.00 H new ATOM 0 HA GLN A 88 17.847 30.320 3.769 1.00 0.00 H new ATOM 0 HB2 GLN A 88 18.191 31.669 5.893 1.00 0.00 H new ATOM 0 HB3 GLN A 88 19.851 31.107 5.938 1.00 0.00 H new ATOM 0 HG2 GLN A 88 20.205 32.059 3.617 1.00 0.00 H new ATOM 0 HG3 GLN A 88 18.566 32.680 3.644 1.00 0.00 H new ATOM 0 HE21 GLN A 88 20.508 34.607 3.370 1.00 0.00 H new ATOM 0 HE22 GLN A 88 20.742 35.482 4.887 1.00 0.00 H new ATOM 827 N ALA A 89 20.687 28.809 4.503 1.00 0.00 N ATOM 828 CA ALA A 89 21.897 28.222 3.863 1.00 0.00 C ATOM 829 C ALA A 89 21.480 27.072 2.944 1.00 0.00 C ATOM 830 O ALA A 89 21.917 26.976 1.816 1.00 0.00 O ATOM 831 CB ALA A 89 22.841 27.695 4.944 1.00 0.00 C ATOM 0 H ALA A 89 20.597 28.634 5.504 1.00 0.00 H new ATOM 0 HA ALA A 89 22.407 28.988 3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 89 23.727 27.265 4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 89 23.138 28.514 5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 89 22.332 26.929 5.529 1.00 0.00 H new ATOM 837 N VAL A 90 20.637 26.197 3.419 1.00 0.00 N ATOM 838 CA VAL A 90 20.195 25.054 2.572 1.00 0.00 C ATOM 839 C VAL A 90 19.398 25.579 1.376 1.00 0.00 C ATOM 840 O VAL A 90 19.703 25.285 0.238 1.00 0.00 O ATOM 841 CB VAL A 90 19.313 24.119 3.403 1.00 0.00 C ATOM 842 CG1 VAL A 90 18.624 23.112 2.480 1.00 0.00 C ATOM 843 CG2 VAL A 90 20.178 23.372 4.419 1.00 0.00 C ATOM 0 H VAL A 90 20.236 26.224 4.356 1.00 0.00 H new ATOM 0 HA VAL A 90 21.068 24.509 2.212 1.00 0.00 H new ATOM 0 HB VAL A 90 18.558 24.704 3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 90 17.996 22.446 3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 90 18.007 23.645 1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 90 19.378 22.527 1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 90 19.550 22.706 5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 90 20.933 22.787 3.894 1.00 0.00 H new ATOM 0 HG23 VAL A 90 20.668 24.090 5.077 1.00 0.00 H new ATOM 853 N ALA A 91 18.377 26.351 1.623 1.00 0.00 N ATOM 854 CA ALA A 91 17.557 26.888 0.501 1.00 0.00 C ATOM 855 C ALA A 91 18.426 27.765 -0.405 1.00 0.00 C ATOM 856 O ALA A 91 18.307 27.731 -1.615 1.00 0.00 O ATOM 857 CB ALA A 91 16.409 27.727 1.066 1.00 0.00 C ATOM 0 H ALA A 91 18.074 26.634 2.555 1.00 0.00 H new ATOM 0 HA ALA A 91 17.155 26.057 -0.079 1.00 0.00 H new ATOM 0 HB1 ALA A 91 15.808 28.121 0.246 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.785 27.105 1.707 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.815 28.554 1.648 1.00 0.00 H new ATOM 863 N GLU A 92 19.292 28.554 0.167 1.00 0.00 N ATOM 864 CA GLU A 92 20.160 29.436 -0.665 1.00 0.00 C ATOM 865 C GLU A 92 21.301 28.618 -1.275 1.00 0.00 C ATOM 866 O GLU A 92 21.599 28.729 -2.448 1.00 0.00 O ATOM 867 CB GLU A 92 20.741 30.547 0.211 1.00 0.00 C ATOM 868 CG GLU A 92 21.519 31.530 -0.664 1.00 0.00 C ATOM 869 CD GLU A 92 20.552 32.258 -1.599 1.00 0.00 C ATOM 870 OE1 GLU A 92 19.394 32.387 -1.238 1.00 0.00 O ATOM 871 OE2 GLU A 92 20.986 32.675 -2.661 1.00 0.00 O ATOM 0 H GLU A 92 19.437 28.627 1.174 1.00 0.00 H new ATOM 0 HA GLU A 92 19.565 29.873 -1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 92 19.940 31.067 0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 92 21.397 30.121 0.970 1.00 0.00 H new ATOM 0 HG2 GLU A 92 22.048 32.249 -0.039 1.00 0.00 H new ATOM 0 HG3 GLU A 92 22.272 30.998 -1.245 1.00 0.00 H new ATOM 878 N LEU A 93 21.946 27.800 -0.489 1.00 0.00 N ATOM 879 CA LEU A 93 23.070 26.980 -1.026 1.00 0.00 C ATOM 880 C LEU A 93 22.527 25.948 -2.013 1.00 0.00 C ATOM 881 O LEU A 93 23.140 25.654 -3.020 1.00 0.00 O ATOM 882 CB LEU A 93 23.772 26.262 0.128 1.00 0.00 C ATOM 883 CG LEU A 93 24.359 27.298 1.090 1.00 0.00 C ATOM 884 CD1 LEU A 93 24.727 26.618 2.410 1.00 0.00 C ATOM 885 CD2 LEU A 93 25.612 27.917 0.469 1.00 0.00 C ATOM 0 H LEU A 93 21.744 27.664 0.501 1.00 0.00 H new ATOM 0 HA LEU A 93 23.780 27.630 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 93 23.066 25.620 0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 93 24.563 25.618 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 93 23.622 28.079 1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 93 25.145 27.356 3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 93 23.834 26.176 2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 93 25.464 25.837 2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 93 26.031 28.655 1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 93 26.349 27.136 0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 93 25.350 28.402 -0.472 1.00 0.00 H new ATOM 897 N ASN A 94 21.383 25.393 -1.731 1.00 0.00 N ATOM 898 CA ASN A 94 20.800 24.377 -2.650 1.00 0.00 C ATOM 899 C ASN A 94 20.537 25.013 -4.016 1.00 0.00 C ATOM 900 O ASN A 94 20.085 26.136 -4.113 1.00 0.00 O ATOM 901 CB ASN A 94 19.487 23.863 -2.064 1.00 0.00 C ATOM 902 CG ASN A 94 19.038 22.617 -2.830 1.00 0.00 C ATOM 903 OD1 ASN A 94 19.682 22.206 -3.775 1.00 0.00 O ATOM 904 ND2 ASN A 94 17.954 21.994 -2.459 1.00 0.00 N ATOM 0 H ASN A 94 20.825 25.599 -0.902 1.00 0.00 H new ATOM 0 HA ASN A 94 21.497 23.548 -2.768 1.00 0.00 H new ATOM 0 HB2 ASN A 94 19.616 23.626 -1.008 1.00 0.00 H new ATOM 0 HB3 ASN A 94 18.721 24.636 -2.126 1.00 0.00 H new ATOM 0 HD21 ASN A 94 17.647 21.162 -2.962 1.00 0.00 H new ATOM 0 HD22 ASN A 94 17.414 22.339 -1.666 1.00 0.00 H new ATOM 911 N GLY A 95 20.816 24.301 -5.073 1.00 0.00 N ATOM 912 CA GLY A 95 20.582 24.863 -6.433 1.00 0.00 C ATOM 913 C GLY A 95 21.654 25.910 -6.744 1.00 0.00 C ATOM 914 O GLY A 95 21.418 26.856 -7.468 1.00 0.00 O ATOM 0 H GLY A 95 21.196 23.355 -5.054 1.00 0.00 H new ATOM 0 HA2 GLY A 95 20.610 24.067 -7.177 1.00 0.00 H new ATOM 0 HA3 GLY A 95 19.591 25.315 -6.486 1.00 0.00 H new ATOM 918 N THR A 96 22.830 25.748 -6.203 1.00 0.00 N ATOM 919 CA THR A 96 23.915 26.735 -6.468 1.00 0.00 C ATOM 920 C THR A 96 25.109 26.020 -7.104 1.00 0.00 C ATOM 921 O THR A 96 25.389 24.875 -6.808 1.00 0.00 O ATOM 922 CB THR A 96 24.350 27.382 -5.152 1.00 0.00 C ATOM 923 OG1 THR A 96 25.078 26.437 -4.379 1.00 0.00 O ATOM 924 CG2 THR A 96 23.115 27.839 -4.372 1.00 0.00 C ATOM 0 H THR A 96 23.087 24.975 -5.589 1.00 0.00 H new ATOM 0 HA THR A 96 23.548 27.505 -7.147 1.00 0.00 H new ATOM 0 HB THR A 96 24.983 28.244 -5.363 1.00 0.00 H new ATOM 0 HG1 THR A 96 24.588 26.243 -3.553 1.00 0.00 H new ATOM 0 HG21 THR A 96 23.427 28.300 -3.435 1.00 0.00 H new ATOM 0 HG22 THR A 96 22.558 28.564 -4.965 1.00 0.00 H new ATOM 0 HG23 THR A 96 22.480 26.979 -4.160 1.00 0.00 H new ATOM 932 N GLN A 97 25.815 26.686 -7.977 1.00 0.00 N ATOM 933 CA GLN A 97 26.990 26.043 -8.630 1.00 0.00 C ATOM 934 C GLN A 97 28.265 26.795 -8.243 1.00 0.00 C ATOM 935 O GLN A 97 28.299 28.009 -8.224 1.00 0.00 O ATOM 936 CB GLN A 97 26.816 26.086 -10.150 1.00 0.00 C ATOM 937 CG GLN A 97 27.966 25.328 -10.816 1.00 0.00 C ATOM 938 CD GLN A 97 27.803 25.387 -12.336 1.00 0.00 C ATOM 939 OE1 GLN A 97 26.803 25.865 -12.833 1.00 0.00 O ATOM 940 NE2 GLN A 97 28.750 24.917 -13.100 1.00 0.00 N ATOM 0 H GLN A 97 25.629 27.646 -8.266 1.00 0.00 H new ATOM 0 HA GLN A 97 27.065 25.007 -8.301 1.00 0.00 H new ATOM 0 HB2 GLN A 97 25.862 25.640 -10.430 1.00 0.00 H new ATOM 0 HB3 GLN A 97 26.799 27.120 -10.496 1.00 0.00 H new ATOM 0 HG2 GLN A 97 28.921 25.765 -10.525 1.00 0.00 H new ATOM 0 HG3 GLN A 97 27.975 24.291 -10.480 1.00 0.00 H new ATOM 0 HE21 GLN A 97 29.590 24.516 -12.683 1.00 0.00 H new ATOM 0 HE22 GLN A 97 28.651 24.951 -14.115 1.00 0.00 H new ATOM 949 N VAL A 98 29.314 26.084 -7.936 1.00 0.00 N ATOM 950 CA VAL A 98 30.586 26.758 -7.550 1.00 0.00 C ATOM 951 C VAL A 98 31.352 27.156 -8.814 1.00 0.00 C ATOM 952 O VAL A 98 30.768 27.455 -9.837 1.00 0.00 O ATOM 953 CB VAL A 98 31.442 25.803 -6.713 1.00 0.00 C ATOM 954 CG1 VAL A 98 32.306 26.612 -5.743 1.00 0.00 C ATOM 955 CG2 VAL A 98 30.535 24.858 -5.921 1.00 0.00 C ATOM 0 H VAL A 98 29.346 25.064 -7.936 1.00 0.00 H new ATOM 0 HA VAL A 98 30.361 27.648 -6.963 1.00 0.00 H new ATOM 0 HB VAL A 98 32.083 25.219 -7.373 1.00 0.00 H new ATOM 0 HG11 VAL A 98 32.916 25.934 -5.146 1.00 0.00 H new ATOM 0 HG12 VAL A 98 32.955 27.283 -6.306 1.00 0.00 H new ATOM 0 HG13 VAL A 98 31.664 27.197 -5.084 1.00 0.00 H new ATOM 0 HG21 VAL A 98 31.147 24.180 -5.326 1.00 0.00 H new ATOM 0 HG22 VAL A 98 29.892 25.440 -5.261 1.00 0.00 H new ATOM 0 HG23 VAL A 98 29.920 24.281 -6.611 1.00 0.00 H new ATOM 965 N GLU A 99 32.655 27.162 -8.754 1.00 0.00 N ATOM 966 CA GLU A 99 33.454 27.541 -9.953 1.00 0.00 C ATOM 967 C GLU A 99 33.128 26.587 -11.105 1.00 0.00 C ATOM 968 O GLU A 99 33.082 26.979 -12.254 1.00 0.00 O ATOM 969 CB GLU A 99 34.946 27.451 -9.623 1.00 0.00 C ATOM 970 CG GLU A 99 35.295 28.491 -8.557 1.00 0.00 C ATOM 971 CD GLU A 99 36.805 28.481 -8.310 1.00 0.00 C ATOM 972 OE1 GLU A 99 37.465 27.599 -8.835 1.00 0.00 O ATOM 973 OE2 GLU A 99 37.275 29.355 -7.601 1.00 0.00 O ATOM 0 H GLU A 99 33.201 26.921 -7.927 1.00 0.00 H new ATOM 0 HA GLU A 99 33.208 28.562 -10.245 1.00 0.00 H new ATOM 0 HB2 GLU A 99 35.191 26.451 -9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 99 35.539 27.622 -10.521 1.00 0.00 H new ATOM 0 HG2 GLU A 99 34.975 29.481 -8.881 1.00 0.00 H new ATOM 0 HG3 GLU A 99 34.763 28.271 -7.631 1.00 0.00 H new ATOM 980 N SER A 100 32.900 25.338 -10.806 1.00 0.00 N ATOM 981 CA SER A 100 32.575 24.362 -11.884 1.00 0.00 C ATOM 982 C SER A 100 31.906 23.129 -11.274 1.00 0.00 C ATOM 983 O SER A 100 31.927 22.055 -11.841 1.00 0.00 O ATOM 984 CB SER A 100 33.863 23.942 -12.597 1.00 0.00 C ATOM 985 OG SER A 100 33.801 24.338 -13.959 1.00 0.00 O ATOM 0 H SER A 100 32.925 24.951 -9.863 1.00 0.00 H new ATOM 0 HA SER A 100 31.897 24.826 -12.600 1.00 0.00 H new ATOM 0 HB2 SER A 100 34.725 24.400 -12.113 1.00 0.00 H new ATOM 0 HB3 SER A 100 33.995 22.862 -12.527 1.00 0.00 H new ATOM 0 HG SER A 100 34.626 24.071 -14.415 1.00 0.00 H new ATOM 991 N VAL A 101 31.309 23.274 -10.123 1.00 0.00 N ATOM 992 CA VAL A 101 30.637 22.110 -9.479 1.00 0.00 C ATOM 993 C VAL A 101 29.263 22.538 -8.960 1.00 0.00 C ATOM 994 O VAL A 101 29.010 23.704 -8.732 1.00 0.00 O ATOM 995 CB VAL A 101 31.491 21.611 -8.310 1.00 0.00 C ATOM 996 CG1 VAL A 101 30.780 20.445 -7.621 1.00 0.00 C ATOM 997 CG2 VAL A 101 32.849 21.141 -8.835 1.00 0.00 C ATOM 0 H VAL A 101 31.257 24.148 -9.600 1.00 0.00 H new ATOM 0 HA VAL A 101 30.517 21.310 -10.209 1.00 0.00 H new ATOM 0 HB VAL A 101 31.638 22.421 -7.595 1.00 0.00 H new ATOM 0 HG11 VAL A 101 31.387 20.089 -6.789 1.00 0.00 H new ATOM 0 HG12 VAL A 101 29.812 20.779 -7.247 1.00 0.00 H new ATOM 0 HG13 VAL A 101 30.633 19.635 -8.335 1.00 0.00 H new ATOM 0 HG21 VAL A 101 33.457 20.786 -8.003 1.00 0.00 H new ATOM 0 HG22 VAL A 101 32.702 20.331 -9.549 1.00 0.00 H new ATOM 0 HG23 VAL A 101 33.356 21.971 -9.327 1.00 0.00 H new ATOM 1007 N GLN A 102 28.372 21.603 -8.772 1.00 0.00 N ATOM 1008 CA GLN A 102 27.015 21.958 -8.268 1.00 0.00 C ATOM 1009 C GLN A 102 26.921 21.625 -6.778 1.00 0.00 C ATOM 1010 O GLN A 102 27.705 20.858 -6.253 1.00 0.00 O ATOM 1011 CB GLN A 102 25.961 21.160 -9.038 1.00 0.00 C ATOM 1012 CG GLN A 102 25.898 21.661 -10.482 1.00 0.00 C ATOM 1013 CD GLN A 102 24.759 20.952 -11.219 1.00 0.00 C ATOM 1014 OE1 GLN A 102 24.235 19.965 -10.744 1.00 0.00 O ATOM 1015 NE2 GLN A 102 24.354 21.417 -12.368 1.00 0.00 N ATOM 0 H GLN A 102 28.525 20.610 -8.945 1.00 0.00 H new ATOM 0 HA GLN A 102 26.840 23.024 -8.413 1.00 0.00 H new ATOM 0 HB2 GLN A 102 26.208 20.099 -9.020 1.00 0.00 H new ATOM 0 HB3 GLN A 102 24.987 21.268 -8.561 1.00 0.00 H new ATOM 0 HG2 GLN A 102 25.740 22.739 -10.497 1.00 0.00 H new ATOM 0 HG3 GLN A 102 26.846 21.471 -10.986 1.00 0.00 H new ATOM 0 HE21 GLN A 102 24.795 22.246 -12.767 1.00 0.00 H new ATOM 0 HE22 GLN A 102 23.597 20.952 -12.868 1.00 0.00 H new ATOM 1024 N LEU A 103 25.970 22.197 -6.091 1.00 0.00 N ATOM 1025 CA LEU A 103 25.831 21.913 -4.634 1.00 0.00 C ATOM 1026 C LEU A 103 24.511 21.185 -4.376 1.00 0.00 C ATOM 1027 O LEU A 103 23.471 21.564 -4.877 1.00 0.00 O ATOM 1028 CB LEU A 103 25.851 23.227 -3.853 1.00 0.00 C ATOM 1029 CG LEU A 103 27.264 23.815 -3.882 1.00 0.00 C ATOM 1030 CD1 LEU A 103 27.297 25.103 -3.056 1.00 0.00 C ATOM 1031 CD2 LEU A 103 28.250 22.806 -3.290 1.00 0.00 C ATOM 0 H LEU A 103 25.284 22.848 -6.475 1.00 0.00 H new ATOM 0 HA LEU A 103 26.660 21.284 -4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 103 25.143 23.932 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 103 25.538 23.055 -2.823 1.00 0.00 H new ATOM 0 HG LEU A 103 27.544 24.035 -4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 103 28.303 25.522 -3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 103 26.595 25.823 -3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 103 27.017 24.882 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 103 29.256 23.225 -3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 103 27.970 22.585 -2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 103 28.227 21.888 -3.877 1.00 0.00 H new ATOM 1043 N LYS A 104 24.547 20.145 -3.590 1.00 0.00 N ATOM 1044 CA LYS A 104 23.301 19.388 -3.287 1.00 0.00 C ATOM 1045 C LYS A 104 23.148 19.281 -1.769 1.00 0.00 C ATOM 1046 O LYS A 104 23.698 18.399 -1.141 1.00 0.00 O ATOM 1047 CB LYS A 104 23.390 17.987 -3.894 1.00 0.00 C ATOM 1048 CG LYS A 104 23.438 18.096 -5.419 1.00 0.00 C ATOM 1049 CD LYS A 104 23.310 16.699 -6.032 1.00 0.00 C ATOM 1050 CE LYS A 104 23.480 16.791 -7.550 1.00 0.00 C ATOM 1051 NZ LYS A 104 22.234 17.342 -8.156 1.00 0.00 N ATOM 0 H LYS A 104 25.390 19.785 -3.143 1.00 0.00 H new ATOM 0 HA LYS A 104 22.440 19.905 -3.712 1.00 0.00 H new ATOM 0 HB2 LYS A 104 24.280 17.475 -3.527 1.00 0.00 H new ATOM 0 HB3 LYS A 104 22.530 17.391 -3.588 1.00 0.00 H new ATOM 0 HG2 LYS A 104 22.631 18.737 -5.775 1.00 0.00 H new ATOM 0 HG3 LYS A 104 24.374 18.559 -5.732 1.00 0.00 H new ATOM 0 HD2 LYS A 104 24.064 16.035 -5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 104 22.337 16.271 -5.789 1.00 0.00 H new ATOM 0 HE2 LYS A 104 24.329 17.430 -7.794 1.00 0.00 H new ATOM 0 HE3 LYS A 104 23.693 15.805 -7.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 22.322 17.342 -9.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 21.423 16.754 -7.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 22.086 18.316 -7.821 1.00 0.00 H new ATOM 1065 N VAL A 105 22.416 20.180 -1.178 1.00 0.00 N ATOM 1066 CA VAL A 105 22.236 20.142 0.299 1.00 0.00 C ATOM 1067 C VAL A 105 20.930 19.424 0.648 1.00 0.00 C ATOM 1068 O VAL A 105 19.921 19.591 -0.009 1.00 0.00 O ATOM 1069 CB VAL A 105 22.193 21.571 0.830 1.00 0.00 C ATOM 1070 CG1 VAL A 105 21.020 22.292 0.196 1.00 0.00 C ATOM 1071 CG2 VAL A 105 22.028 21.551 2.350 1.00 0.00 C ATOM 0 H VAL A 105 21.933 20.942 -1.654 1.00 0.00 H new ATOM 0 HA VAL A 105 23.067 19.603 0.754 1.00 0.00 H new ATOM 0 HB VAL A 105 23.121 22.087 0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 105 20.978 23.316 0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 105 21.143 22.304 -0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 105 20.095 21.775 0.451 1.00 0.00 H new ATOM 0 HG21 VAL A 105 21.998 22.574 2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 105 21.100 21.042 2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 105 22.869 21.024 2.800 1.00 0.00 H new