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= -7.24! C(o=-7.2!,f=-5.2!) 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= -0.242 (180deg=-1.49!) USER MOD Single : A 50 THR OG1 : rot 180:sc=0.000504 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -108:sc= -5.49! (180deg=-12.6!) USER MOD Single : A 74 ASN : amide:sc= -1.36 K(o=-1.4,f=-0.02) USER MOD Single : A 75 CYS SG : rot 101:sc= -2.7! USER MOD Single : A 79 THR OG1 : rot 68:sc= -1.18! USER MOD Single : A 80 TYR OH : rot -12:sc= -7.36! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -166:sc= -2.15! (180deg=-2.83!) USER MOD Single : A 85 SER OG : rot -104:sc= -1.94! USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 94 ASN : amide:sc= -0.465 K(o=-0.47,f=-5.2!) USER MOD Single : A 96 THR OG1 : rot -85:sc= 0.871 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 100 SER OG : rot 36:sc= 0.177 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N ASN A 40 22.161 22.687 14.754 1.00 0.00 N ATOM 79 CA ASN A 40 21.374 22.003 13.688 1.00 0.00 C ATOM 80 C ASN A 40 22.331 21.492 12.609 1.00 0.00 C ATOM 81 O ASN A 40 22.942 22.260 11.895 1.00 0.00 O ATOM 82 CB ASN A 40 20.379 22.987 13.068 1.00 0.00 C ATOM 83 CG ASN A 40 19.552 22.269 12.000 1.00 0.00 C ATOM 84 OD1 ASN A 40 19.503 21.056 11.967 1.00 0.00 O ATOM 85 ND2 ASN A 40 18.895 22.972 11.118 1.00 0.00 N ATOM 0 HA ASN A 40 20.825 21.166 14.119 1.00 0.00 H new ATOM 0 HB2 ASN A 40 19.724 23.393 13.839 1.00 0.00 H new ATOM 0 HB3 ASN A 40 20.911 23.829 12.626 1.00 0.00 H new ATOM 0 HD21 ASN A 40 18.341 22.503 10.402 1.00 0.00 H new ATOM 0 HD22 ASN A 40 18.936 23.991 11.145 1.00 0.00 H new ATOM 92 N THR A 41 22.474 20.199 12.492 1.00 0.00 N ATOM 93 CA THR A 41 23.401 19.640 11.467 1.00 0.00 C ATOM 94 C THR A 41 22.740 19.676 10.085 1.00 0.00 C ATOM 95 O THR A 41 21.534 19.595 9.959 1.00 0.00 O ATOM 96 CB THR A 41 23.743 18.193 11.827 1.00 0.00 C ATOM 97 OG1 THR A 41 24.193 18.138 13.173 1.00 0.00 O ATOM 98 CG2 THR A 41 24.844 17.680 10.897 1.00 0.00 C ATOM 0 H THR A 41 21.989 19.506 13.062 1.00 0.00 H new ATOM 0 HA THR A 41 24.311 20.240 11.444 1.00 0.00 H new ATOM 0 HB THR A 41 22.856 17.569 11.713 1.00 0.00 H new ATOM 0 HG1 THR A 41 24.411 17.212 13.407 1.00 0.00 H new ATOM 0 HG21 THR A 41 25.087 16.649 11.155 1.00 0.00 H new ATOM 0 HG22 THR A 41 24.498 17.724 9.864 1.00 0.00 H new ATOM 0 HG23 THR A 41 25.733 18.301 11.009 1.00 0.00 H new ATOM 106 N LEU A 42 23.527 19.791 9.048 1.00 0.00 N ATOM 107 CA LEU A 42 22.954 19.824 7.672 1.00 0.00 C ATOM 108 C LEU A 42 23.639 18.756 6.818 1.00 0.00 C ATOM 109 O LEU A 42 24.772 18.389 7.061 1.00 0.00 O ATOM 110 CB LEU A 42 23.196 21.199 7.043 1.00 0.00 C ATOM 111 CG LEU A 42 22.457 22.270 7.847 1.00 0.00 C ATOM 112 CD1 LEU A 42 23.401 22.861 8.894 1.00 0.00 C ATOM 113 CD2 LEU A 42 21.985 23.380 6.906 1.00 0.00 C ATOM 0 H LEU A 42 24.543 19.864 9.095 1.00 0.00 H new ATOM 0 HA LEU A 42 21.882 19.632 7.722 1.00 0.00 H new ATOM 0 HB2 LEU A 42 24.264 21.418 7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 42 22.850 21.203 6.009 1.00 0.00 H new ATOM 0 HG LEU A 42 21.596 21.822 8.343 1.00 0.00 H new ATOM 0 HD11 LEU A 42 22.876 23.625 9.468 1.00 0.00 H new ATOM 0 HD12 LEU A 42 23.740 22.072 9.565 1.00 0.00 H new ATOM 0 HD13 LEU A 42 24.261 23.309 8.397 1.00 0.00 H new ATOM 0 HD21 LEU A 42 21.458 24.143 7.479 1.00 0.00 H new ATOM 0 HD22 LEU A 42 22.847 23.828 6.411 1.00 0.00 H new ATOM 0 HD23 LEU A 42 21.313 22.961 6.157 1.00 0.00 H new ATOM 125 N TYR A 43 22.966 18.256 5.819 1.00 0.00 N ATOM 126 CA TYR A 43 23.585 17.214 4.951 1.00 0.00 C ATOM 127 C TYR A 43 23.920 17.821 3.588 1.00 0.00 C ATOM 128 O TYR A 43 23.045 18.157 2.815 1.00 0.00 O ATOM 129 CB TYR A 43 22.609 16.052 4.765 1.00 0.00 C ATOM 130 CG TYR A 43 23.197 15.052 3.798 1.00 0.00 C ATOM 131 CD1 TYR A 43 23.041 15.238 2.420 1.00 0.00 C ATOM 132 CD2 TYR A 43 23.898 13.940 4.280 1.00 0.00 C ATOM 133 CE1 TYR A 43 23.586 14.311 1.523 1.00 0.00 C ATOM 134 CE2 TYR A 43 24.444 13.014 3.383 1.00 0.00 C ATOM 135 CZ TYR A 43 24.288 13.200 2.004 1.00 0.00 C ATOM 136 OH TYR A 43 24.825 12.286 1.120 1.00 0.00 O ATOM 0 H TYR A 43 22.015 18.523 5.566 1.00 0.00 H new ATOM 0 HA TYR A 43 24.497 16.847 5.422 1.00 0.00 H new ATOM 0 HB2 TYR A 43 22.410 15.573 5.724 1.00 0.00 H new ATOM 0 HB3 TYR A 43 21.655 16.421 4.388 1.00 0.00 H new ATOM 0 HD1 TYR A 43 22.501 16.096 2.048 1.00 0.00 H new ATOM 0 HD2 TYR A 43 24.018 13.797 5.344 1.00 0.00 H new ATOM 0 HE1 TYR A 43 23.465 14.454 0.459 1.00 0.00 H new ATOM 0 HE2 TYR A 43 24.985 12.157 3.755 1.00 0.00 H new ATOM 0 HH TYR A 43 25.281 11.577 1.620 1.00 0.00 H new ATOM 146 N VAL A 44 25.181 17.966 3.286 1.00 0.00 N ATOM 147 CA VAL A 44 25.570 18.551 1.972 1.00 0.00 C ATOM 148 C VAL A 44 26.171 17.457 1.087 1.00 0.00 C ATOM 149 O VAL A 44 26.882 16.589 1.554 1.00 0.00 O ATOM 150 CB VAL A 44 26.604 19.657 2.194 1.00 0.00 C ATOM 151 CG1 VAL A 44 27.066 20.203 0.842 1.00 0.00 C ATOM 152 CG2 VAL A 44 25.973 20.788 3.009 1.00 0.00 C ATOM 0 H VAL A 44 25.959 17.705 3.892 1.00 0.00 H new ATOM 0 HA VAL A 44 24.690 18.970 1.483 1.00 0.00 H new ATOM 0 HB VAL A 44 27.459 19.251 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 44 27.802 20.991 1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 44 27.515 19.399 0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 44 26.211 20.609 0.302 1.00 0.00 H new ATOM 0 HG21 VAL A 44 26.709 21.576 3.168 1.00 0.00 H new ATOM 0 HG22 VAL A 44 25.118 21.193 2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 44 25.642 20.401 3.973 1.00 0.00 H new ATOM 162 N TYR A 45 25.891 17.490 -0.187 1.00 0.00 N ATOM 163 CA TYR A 45 26.445 16.450 -1.098 1.00 0.00 C ATOM 164 C TYR A 45 27.132 17.124 -2.287 1.00 0.00 C ATOM 165 O TYR A 45 26.579 18.000 -2.922 1.00 0.00 O ATOM 166 CB TYR A 45 25.310 15.558 -1.603 1.00 0.00 C ATOM 167 CG TYR A 45 25.871 14.500 -2.522 1.00 0.00 C ATOM 168 CD1 TYR A 45 26.312 13.279 -1.997 1.00 0.00 C ATOM 169 CD2 TYR A 45 25.950 14.739 -3.900 1.00 0.00 C ATOM 170 CE1 TYR A 45 26.833 12.298 -2.850 1.00 0.00 C ATOM 171 CE2 TYR A 45 26.470 13.758 -4.752 1.00 0.00 C ATOM 172 CZ TYR A 45 26.912 12.538 -4.227 1.00 0.00 C ATOM 173 OH TYR A 45 27.424 11.570 -5.068 1.00 0.00 O ATOM 0 H TYR A 45 25.303 18.192 -0.636 1.00 0.00 H new ATOM 0 HA TYR A 45 27.171 15.843 -0.557 1.00 0.00 H new ATOM 0 HB2 TYR A 45 24.799 15.090 -0.761 1.00 0.00 H new ATOM 0 HB3 TYR A 45 24.569 16.158 -2.132 1.00 0.00 H new ATOM 0 HD1 TYR A 45 26.250 13.094 -0.935 1.00 0.00 H new ATOM 0 HD2 TYR A 45 25.610 15.681 -4.305 1.00 0.00 H new ATOM 0 HE1 TYR A 45 27.174 11.356 -2.446 1.00 0.00 H new ATOM 0 HE2 TYR A 45 26.530 13.942 -5.814 1.00 0.00 H new ATOM 0 HH TYR A 45 27.407 11.897 -5.992 1.00 0.00 H new ATOM 183 N GLY A 46 28.335 16.721 -2.595 1.00 0.00 N ATOM 184 CA GLY A 46 29.056 17.336 -3.742 1.00 0.00 C ATOM 185 C GLY A 46 30.399 16.629 -3.939 1.00 0.00 C ATOM 186 O GLY A 46 30.639 15.571 -3.392 1.00 0.00 O ATOM 0 H GLY A 46 28.849 15.992 -2.100 1.00 0.00 H new ATOM 0 HA2 GLY A 46 28.455 17.257 -4.648 1.00 0.00 H new ATOM 0 HA3 GLY A 46 29.216 18.398 -3.557 1.00 0.00 H new ATOM 190 N GLU A 47 31.275 17.205 -4.717 1.00 0.00 N ATOM 191 CA GLU A 47 32.600 16.565 -4.947 1.00 0.00 C ATOM 192 C GLU A 47 33.707 17.607 -4.774 1.00 0.00 C ATOM 193 O GLU A 47 33.467 18.797 -4.829 1.00 0.00 O ATOM 194 CB GLU A 47 32.654 15.998 -6.367 1.00 0.00 C ATOM 195 CG GLU A 47 31.579 14.921 -6.529 1.00 0.00 C ATOM 196 CD GLU A 47 31.709 14.276 -7.910 1.00 0.00 C ATOM 197 OE1 GLU A 47 32.480 14.782 -8.709 1.00 0.00 O ATOM 198 OE2 GLU A 47 31.036 13.286 -8.146 1.00 0.00 O ATOM 0 H GLU A 47 31.130 18.090 -5.202 1.00 0.00 H new ATOM 0 HA GLU A 47 32.743 15.759 -4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 47 32.498 16.795 -7.094 1.00 0.00 H new ATOM 0 HB3 GLU A 47 33.639 15.576 -6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 47 31.686 14.165 -5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 47 30.588 15.360 -6.413 1.00 0.00 H new ATOM 205 N ASP A 48 34.919 17.169 -4.564 1.00 0.00 N ATOM 206 CA ASP A 48 36.041 18.135 -4.389 1.00 0.00 C ATOM 207 C ASP A 48 35.598 19.275 -3.471 1.00 0.00 C ATOM 208 O ASP A 48 35.738 20.437 -3.797 1.00 0.00 O ATOM 209 CB ASP A 48 36.444 18.704 -5.750 1.00 0.00 C ATOM 210 CG ASP A 48 36.786 17.556 -6.702 1.00 0.00 C ATOM 211 OD1 ASP A 48 37.064 16.472 -6.216 1.00 0.00 O ATOM 212 OD2 ASP A 48 36.764 17.780 -7.901 1.00 0.00 O ATOM 0 H ASP A 48 35.180 16.185 -4.506 1.00 0.00 H new ATOM 0 HA ASP A 48 36.893 17.621 -3.944 1.00 0.00 H new ATOM 0 HB2 ASP A 48 35.631 19.302 -6.161 1.00 0.00 H new ATOM 0 HB3 ASP A 48 37.302 19.367 -5.639 1.00 0.00 H new ATOM 217 N MET A 49 35.064 18.953 -2.324 1.00 0.00 N ATOM 218 CA MET A 49 34.612 20.019 -1.388 1.00 0.00 C ATOM 219 C MET A 49 35.624 20.160 -0.248 1.00 0.00 C ATOM 220 O MET A 49 36.213 19.192 0.193 1.00 0.00 O ATOM 221 CB MET A 49 33.244 19.647 -0.814 1.00 0.00 C ATOM 222 CG MET A 49 32.206 19.642 -1.939 1.00 0.00 C ATOM 223 SD MET A 49 30.553 19.433 -1.231 1.00 0.00 S ATOM 224 CE MET A 49 30.836 17.818 -0.466 1.00 0.00 C ATOM 0 H MET A 49 34.922 17.998 -1.996 1.00 0.00 H new ATOM 0 HA MET A 49 34.535 20.965 -1.924 1.00 0.00 H new ATOM 0 HB2 MET A 49 33.290 18.666 -0.342 1.00 0.00 H new ATOM 0 HB3 MET A 49 32.956 20.359 -0.041 1.00 0.00 H new ATOM 0 HG2 MET A 49 32.258 20.575 -2.501 1.00 0.00 H new ATOM 0 HG3 MET A 49 32.418 18.835 -2.641 1.00 0.00 H new ATOM 0 HE1 MET A 49 29.886 17.294 -0.360 1.00 0.00 H new ATOM 0 HE2 MET A 49 31.506 17.230 -1.094 1.00 0.00 H new ATOM 0 HE3 MET A 49 31.287 17.955 0.517 1.00 0.00 H new ATOM 234 N THR A 50 35.831 21.355 0.231 1.00 0.00 N ATOM 235 CA THR A 50 36.805 21.555 1.341 1.00 0.00 C ATOM 236 C THR A 50 36.075 22.099 2.570 1.00 0.00 C ATOM 237 O THR A 50 34.978 22.612 2.474 1.00 0.00 O ATOM 238 CB THR A 50 37.880 22.553 0.904 1.00 0.00 C ATOM 239 OG1 THR A 50 37.447 23.231 -0.267 1.00 0.00 O ATOM 240 CG2 THR A 50 39.185 21.810 0.613 1.00 0.00 C ATOM 0 H THR A 50 35.368 22.202 -0.098 1.00 0.00 H new ATOM 0 HA THR A 50 37.273 20.602 1.588 1.00 0.00 H new ATOM 0 HB THR A 50 38.049 23.276 1.702 1.00 0.00 H new ATOM 0 HG1 THR A 50 38.134 23.872 -0.547 1.00 0.00 H new ATOM 0 HG21 THR A 50 39.948 22.523 0.302 1.00 0.00 H new ATOM 0 HG22 THR A 50 39.517 21.292 1.513 1.00 0.00 H new ATOM 0 HG23 THR A 50 39.021 21.084 -0.184 1.00 0.00 H new ATOM 248 N PRO A 51 36.703 21.983 3.748 1.00 0.00 N ATOM 249 CA PRO A 51 36.122 22.463 5.008 1.00 0.00 C ATOM 250 C PRO A 51 36.076 23.993 5.065 1.00 0.00 C ATOM 251 O PRO A 51 35.040 24.584 5.292 1.00 0.00 O ATOM 252 CB PRO A 51 37.079 21.926 6.072 1.00 0.00 C ATOM 253 CG PRO A 51 38.377 21.751 5.359 1.00 0.00 C ATOM 254 CD PRO A 51 38.032 21.376 3.944 1.00 0.00 C ATOM 0 HA PRO A 51 35.092 22.130 5.138 1.00 0.00 H new ATOM 0 HB2 PRO A 51 37.176 22.622 6.905 1.00 0.00 H new ATOM 0 HB3 PRO A 51 36.723 20.982 6.485 1.00 0.00 H new ATOM 0 HG2 PRO A 51 38.963 22.670 5.386 1.00 0.00 H new ATOM 0 HG3 PRO A 51 38.979 20.975 5.832 1.00 0.00 H new ATOM 0 HD2 PRO A 51 38.762 21.767 3.235 1.00 0.00 H new ATOM 0 HD3 PRO A 51 38.004 20.295 3.810 1.00 0.00 H new ATOM 262 N THR A 52 37.192 24.637 4.856 1.00 0.00 N ATOM 263 CA THR A 52 37.210 26.126 4.896 1.00 0.00 C ATOM 264 C THR A 52 36.202 26.672 3.883 1.00 0.00 C ATOM 265 O THR A 52 35.445 27.577 4.172 1.00 0.00 O ATOM 266 CB THR A 52 38.612 26.629 4.543 1.00 0.00 C ATOM 267 OG1 THR A 52 39.569 25.973 5.363 1.00 0.00 O ATOM 268 CG2 THR A 52 38.688 28.138 4.774 1.00 0.00 C ATOM 0 H THR A 52 38.091 24.197 4.660 1.00 0.00 H new ATOM 0 HA THR A 52 36.944 26.468 5.896 1.00 0.00 H new ATOM 0 HB THR A 52 38.822 26.414 3.495 1.00 0.00 H new ATOM 0 HG1 THR A 52 40.467 26.293 5.137 1.00 0.00 H new ATOM 0 HG21 THR A 52 39.687 28.495 4.522 1.00 0.00 H new ATOM 0 HG22 THR A 52 37.954 28.640 4.144 1.00 0.00 H new ATOM 0 HG23 THR A 52 38.478 28.357 5.821 1.00 0.00 H new ATOM 276 N LEU A 53 36.185 26.126 2.698 1.00 0.00 N ATOM 277 CA LEU A 53 35.226 26.612 1.666 1.00 0.00 C ATOM 278 C LEU A 53 33.795 26.433 2.178 1.00 0.00 C ATOM 279 O LEU A 53 32.982 27.333 2.105 1.00 0.00 O ATOM 280 CB LEU A 53 35.414 25.808 0.378 1.00 0.00 C ATOM 281 CG LEU A 53 34.719 26.525 -0.782 1.00 0.00 C ATOM 282 CD1 LEU A 53 33.203 26.477 -0.576 1.00 0.00 C ATOM 283 CD2 LEU A 53 35.181 27.983 -0.833 1.00 0.00 C ATOM 0 H LEU A 53 36.794 25.364 2.400 1.00 0.00 H new ATOM 0 HA LEU A 53 35.410 27.667 1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 53 36.476 25.691 0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 53 35.001 24.806 0.499 1.00 0.00 H new ATOM 0 HG LEU A 53 34.975 26.031 -1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 53 32.707 26.987 -1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 53 32.873 25.439 -0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 53 32.947 26.971 0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 53 34.686 28.493 -1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 53 34.926 28.478 0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 53 36.260 28.018 -0.980 1.00 0.00 H new ATOM 295 N LEU A 54 33.481 25.277 2.697 1.00 0.00 N ATOM 296 CA LEU A 54 32.103 25.043 3.213 1.00 0.00 C ATOM 297 C LEU A 54 31.797 26.056 4.317 1.00 0.00 C ATOM 298 O LEU A 54 30.797 26.744 4.282 1.00 0.00 O ATOM 299 CB LEU A 54 32.005 23.626 3.782 1.00 0.00 C ATOM 300 CG LEU A 54 32.166 22.610 2.650 1.00 0.00 C ATOM 301 CD1 LEU A 54 32.682 21.289 3.221 1.00 0.00 C ATOM 302 CD2 LEU A 54 30.813 22.382 1.974 1.00 0.00 C ATOM 0 H LEU A 54 34.119 24.486 2.786 1.00 0.00 H new ATOM 0 HA LEU A 54 31.385 25.159 2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 54 32.776 23.471 4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 54 31.043 23.487 4.276 1.00 0.00 H new ATOM 0 HG LEU A 54 32.878 22.991 1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 54 32.797 20.564 2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 54 33.646 21.453 3.702 1.00 0.00 H new ATOM 0 HD13 LEU A 54 31.971 20.907 3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 54 30.927 21.658 1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 54 30.100 22.001 2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.446 23.324 1.567 1.00 0.00 H new ATOM 314 N ARG A 55 32.653 26.156 5.296 1.00 0.00 N ATOM 315 CA ARG A 55 32.414 27.127 6.400 1.00 0.00 C ATOM 316 C ARG A 55 31.974 28.467 5.808 1.00 0.00 C ATOM 317 O ARG A 55 31.086 29.120 6.318 1.00 0.00 O ATOM 318 CB ARG A 55 33.704 27.321 7.198 1.00 0.00 C ATOM 319 CG ARG A 55 34.019 26.044 7.978 1.00 0.00 C ATOM 320 CD ARG A 55 35.311 26.237 8.774 1.00 0.00 C ATOM 321 NE ARG A 55 35.042 27.111 9.952 1.00 0.00 N ATOM 322 CZ ARG A 55 35.866 28.079 10.247 1.00 0.00 C ATOM 323 NH1 ARG A 55 37.132 27.971 9.953 1.00 0.00 N ATOM 324 NH2 ARG A 55 35.422 29.156 10.836 1.00 0.00 N ATOM 0 H ARG A 55 33.508 25.607 5.379 1.00 0.00 H new ATOM 0 HA ARG A 55 31.635 26.745 7.060 1.00 0.00 H new ATOM 0 HB2 ARG A 55 34.527 27.561 6.525 1.00 0.00 H new ATOM 0 HB3 ARG A 55 33.597 28.161 7.884 1.00 0.00 H new ATOM 0 HG2 ARG A 55 33.196 25.805 8.652 1.00 0.00 H new ATOM 0 HG3 ARG A 55 34.124 25.203 7.292 1.00 0.00 H new ATOM 0 HD2 ARG A 55 35.695 25.272 9.104 1.00 0.00 H new ATOM 0 HD3 ARG A 55 36.077 26.686 8.142 1.00 0.00 H new ATOM 0 HE ARG A 55 34.214 26.952 10.527 1.00 0.00 H new ATOM 0 HH11 ARG A 55 37.479 27.130 9.492 1.00 0.00 H new ATOM 0 HH12 ARG A 55 37.776 28.728 10.184 1.00 0.00 H new ATOM 0 HH21 ARG A 55 34.432 29.240 11.065 1.00 0.00 H new ATOM 0 HH22 ARG A 55 36.065 29.913 11.067 1.00 0.00 H new ATOM 338 N GLY A 56 32.589 28.879 4.733 1.00 0.00 N ATOM 339 CA GLY A 56 32.206 30.175 4.106 1.00 0.00 C ATOM 340 C GLY A 56 30.764 30.090 3.603 1.00 0.00 C ATOM 341 O GLY A 56 29.994 31.020 3.736 1.00 0.00 O ATOM 0 H GLY A 56 33.340 28.374 4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.303 30.984 4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 56 32.878 30.404 3.279 1.00 0.00 H new ATOM 345 N ALA A 57 30.392 28.979 3.028 1.00 0.00 N ATOM 346 CA ALA A 57 28.998 28.836 2.518 1.00 0.00 C ATOM 347 C ALA A 57 28.023 28.856 3.697 1.00 0.00 C ATOM 348 O ALA A 57 26.860 29.172 3.548 1.00 0.00 O ATOM 349 CB ALA A 57 28.864 27.510 1.767 1.00 0.00 C ATOM 0 H ALA A 57 30.991 28.165 2.889 1.00 0.00 H new ATOM 0 HA ALA A 57 28.770 29.660 1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 57 27.845 27.405 1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 57 29.561 27.494 0.929 1.00 0.00 H new ATOM 0 HB3 ALA A 57 29.090 26.685 2.442 1.00 0.00 H new ATOM 355 N PHE A 58 28.490 28.521 4.870 1.00 0.00 N ATOM 356 CA PHE A 58 27.590 28.521 6.060 1.00 0.00 C ATOM 357 C PHE A 58 28.084 29.559 7.071 1.00 0.00 C ATOM 358 O PHE A 58 27.616 29.620 8.191 1.00 0.00 O ATOM 359 CB PHE A 58 27.604 27.134 6.707 1.00 0.00 C ATOM 360 CG PHE A 58 27.086 26.110 5.725 1.00 0.00 C ATOM 361 CD1 PHE A 58 27.968 25.490 4.832 1.00 0.00 C ATOM 362 CD2 PHE A 58 25.726 25.781 5.708 1.00 0.00 C ATOM 363 CE1 PHE A 58 27.488 24.540 3.921 1.00 0.00 C ATOM 364 CE2 PHE A 58 25.247 24.831 4.798 1.00 0.00 C ATOM 365 CZ PHE A 58 26.129 24.211 3.905 1.00 0.00 C ATOM 0 H PHE A 58 29.455 28.248 5.056 1.00 0.00 H new ATOM 0 HA PHE A 58 26.575 28.769 5.750 1.00 0.00 H new ATOM 0 HB2 PHE A 58 28.617 26.876 7.016 1.00 0.00 H new ATOM 0 HB3 PHE A 58 26.987 27.135 7.606 1.00 0.00 H new ATOM 0 HD1 PHE A 58 29.018 25.744 4.845 1.00 0.00 H new ATOM 0 HD2 PHE A 58 25.046 26.260 6.397 1.00 0.00 H new ATOM 0 HE1 PHE A 58 28.168 24.062 3.231 1.00 0.00 H new ATOM 0 HE2 PHE A 58 24.197 24.577 4.785 1.00 0.00 H new ATOM 0 HZ PHE A 58 25.760 23.478 3.203 1.00 0.00 H new ATOM 375 N SER A 59 29.031 30.372 6.688 1.00 0.00 N ATOM 376 CA SER A 59 29.564 31.400 7.627 1.00 0.00 C ATOM 377 C SER A 59 28.585 32.575 7.744 1.00 0.00 C ATOM 378 O SER A 59 28.170 32.935 8.827 1.00 0.00 O ATOM 379 CB SER A 59 30.909 31.911 7.107 1.00 0.00 C ATOM 380 OG SER A 59 31.056 33.283 7.441 1.00 0.00 O ATOM 0 H SER A 59 29.460 30.368 5.762 1.00 0.00 H new ATOM 0 HA SER A 59 29.692 30.948 8.611 1.00 0.00 H new ATOM 0 HB2 SER A 59 31.723 31.331 7.542 1.00 0.00 H new ATOM 0 HB3 SER A 59 30.966 31.781 6.026 1.00 0.00 H new ATOM 0 HG SER A 59 31.918 33.610 7.109 1.00 0.00 H new ATOM 386 N PRO A 60 28.222 33.194 6.607 1.00 0.00 N ATOM 387 CA PRO A 60 27.304 34.341 6.591 1.00 0.00 C ATOM 388 C PRO A 60 25.873 33.941 6.964 1.00 0.00 C ATOM 389 O PRO A 60 25.131 34.719 7.530 1.00 0.00 O ATOM 390 CB PRO A 60 27.353 34.819 5.140 1.00 0.00 C ATOM 391 CG PRO A 60 27.758 33.616 4.360 1.00 0.00 C ATOM 392 CD PRO A 60 28.673 32.825 5.253 1.00 0.00 C ATOM 0 HA PRO A 60 27.593 35.102 7.316 1.00 0.00 H new ATOM 0 HB2 PRO A 60 26.383 35.195 4.814 1.00 0.00 H new ATOM 0 HB3 PRO A 60 28.068 35.632 5.015 1.00 0.00 H new ATOM 0 HG2 PRO A 60 26.887 33.026 4.074 1.00 0.00 H new ATOM 0 HG3 PRO A 60 28.265 33.902 3.439 1.00 0.00 H new ATOM 0 HD2 PRO A 60 28.581 31.753 5.076 1.00 0.00 H new ATOM 0 HD3 PRO A 60 29.719 33.087 5.091 1.00 0.00 H new ATOM 400 N PHE A 61 25.479 32.738 6.653 1.00 0.00 N ATOM 401 CA PHE A 61 24.097 32.299 6.995 1.00 0.00 C ATOM 402 C PHE A 61 23.946 32.231 8.516 1.00 0.00 C ATOM 403 O PHE A 61 22.917 32.575 9.064 1.00 0.00 O ATOM 404 CB PHE A 61 23.836 30.917 6.394 1.00 0.00 C ATOM 405 CG PHE A 61 23.707 31.037 4.894 1.00 0.00 C ATOM 406 CD1 PHE A 61 22.456 31.286 4.317 1.00 0.00 C ATOM 407 CD2 PHE A 61 24.838 30.898 4.082 1.00 0.00 C ATOM 408 CE1 PHE A 61 22.337 31.397 2.927 1.00 0.00 C ATOM 409 CE2 PHE A 61 24.718 31.009 2.691 1.00 0.00 C ATOM 410 CZ PHE A 61 23.469 31.258 2.114 1.00 0.00 C ATOM 0 H PHE A 61 26.052 32.041 6.178 1.00 0.00 H new ATOM 0 HA PHE A 61 23.379 33.012 6.590 1.00 0.00 H new ATOM 0 HB2 PHE A 61 24.651 30.239 6.647 1.00 0.00 H new ATOM 0 HB3 PHE A 61 22.925 30.491 6.815 1.00 0.00 H new ATOM 0 HD1 PHE A 61 21.583 31.392 4.944 1.00 0.00 H new ATOM 0 HD2 PHE A 61 25.803 30.705 4.528 1.00 0.00 H new ATOM 0 HE1 PHE A 61 21.372 31.590 2.481 1.00 0.00 H new ATOM 0 HE2 PHE A 61 25.591 30.902 2.064 1.00 0.00 H new ATOM 0 HZ PHE A 61 23.377 31.343 1.041 1.00 0.00 H new ATOM 420 N GLY A 62 24.964 31.789 9.203 1.00 0.00 N ATOM 421 CA GLY A 62 24.878 31.700 10.688 1.00 0.00 C ATOM 422 C GLY A 62 26.199 31.167 11.244 1.00 0.00 C ATOM 423 O GLY A 62 27.143 30.935 10.515 1.00 0.00 O ATOM 0 H GLY A 62 25.851 31.486 8.800 1.00 0.00 H new ATOM 0 HA2 GLY A 62 24.663 32.682 11.110 1.00 0.00 H new ATOM 0 HA3 GLY A 62 24.058 31.043 10.977 1.00 0.00 H new ATOM 427 N ASN A 63 26.276 30.971 12.532 1.00 0.00 N ATOM 428 CA ASN A 63 27.537 30.452 13.134 1.00 0.00 C ATOM 429 C ASN A 63 27.482 28.925 13.196 1.00 0.00 C ATOM 430 O ASN A 63 26.457 28.343 13.492 1.00 0.00 O ATOM 431 CB ASN A 63 27.698 31.015 14.546 1.00 0.00 C ATOM 432 CG ASN A 63 27.879 32.533 14.472 1.00 0.00 C ATOM 433 OD1 ASN A 63 28.153 33.072 13.420 1.00 0.00 O ATOM 434 ND2 ASN A 63 27.736 33.249 15.554 1.00 0.00 N ATOM 0 H ASN A 63 25.520 31.148 13.194 1.00 0.00 H new ATOM 0 HA ASN A 63 28.385 30.760 12.522 1.00 0.00 H new ATOM 0 HB2 ASN A 63 26.823 30.771 15.148 1.00 0.00 H new ATOM 0 HB3 ASN A 63 28.559 30.559 15.035 1.00 0.00 H new ATOM 0 HD21 ASN A 63 27.855 34.261 15.515 1.00 0.00 H new ATOM 0 HD22 ASN A 63 27.506 32.796 16.438 1.00 0.00 H new ATOM 441 N ILE A 64 28.576 28.270 12.918 1.00 0.00 N ATOM 442 CA ILE A 64 28.584 26.781 12.960 1.00 0.00 C ATOM 443 C ILE A 64 29.238 26.310 14.261 1.00 0.00 C ATOM 444 O ILE A 64 30.285 26.790 14.649 1.00 0.00 O ATOM 445 CB ILE A 64 29.373 26.242 11.764 1.00 0.00 C ATOM 446 CG1 ILE A 64 28.784 26.805 10.470 1.00 0.00 C ATOM 447 CG2 ILE A 64 29.285 24.715 11.744 1.00 0.00 C ATOM 448 CD1 ILE A 64 29.721 26.489 9.303 1.00 0.00 C ATOM 0 H ILE A 64 29.464 28.702 12.664 1.00 0.00 H new ATOM 0 HA ILE A 64 27.560 26.410 12.916 1.00 0.00 H new ATOM 0 HB ILE A 64 30.417 26.545 11.849 1.00 0.00 H new ATOM 0 HG12 ILE A 64 27.800 26.373 10.288 1.00 0.00 H new ATOM 0 HG13 ILE A 64 28.647 27.883 10.559 1.00 0.00 H new ATOM 0 HG21 ILE A 64 29.846 24.329 10.893 1.00 0.00 H new ATOM 0 HG22 ILE A 64 29.704 24.314 12.667 1.00 0.00 H new ATOM 0 HG23 ILE A 64 28.242 24.412 11.658 1.00 0.00 H new ATOM 0 HD11 ILE A 64 29.301 26.890 8.381 1.00 0.00 H new ATOM 0 HD12 ILE A 64 30.695 26.942 9.486 1.00 0.00 H new ATOM 0 HD13 ILE A 64 29.835 25.409 9.210 1.00 0.00 H new ATOM 460 N ILE A 65 28.629 25.376 14.938 1.00 0.00 N ATOM 461 CA ILE A 65 29.216 24.876 16.214 1.00 0.00 C ATOM 462 C ILE A 65 30.015 23.599 15.946 1.00 0.00 C ATOM 463 O ILE A 65 30.856 23.207 16.729 1.00 0.00 O ATOM 464 CB ILE A 65 28.092 24.573 17.208 1.00 0.00 C ATOM 465 CG1 ILE A 65 27.316 23.339 16.743 1.00 0.00 C ATOM 466 CG2 ILE A 65 27.144 25.771 17.287 1.00 0.00 C ATOM 467 CD1 ILE A 65 26.289 22.952 17.809 1.00 0.00 C ATOM 0 H ILE A 65 27.750 24.937 14.663 1.00 0.00 H new ATOM 0 HA ILE A 65 29.877 25.636 16.630 1.00 0.00 H new ATOM 0 HB ILE A 65 28.520 24.382 18.192 1.00 0.00 H new ATOM 0 HG12 ILE A 65 26.815 23.546 15.798 1.00 0.00 H new ATOM 0 HG13 ILE A 65 28.002 22.510 16.565 1.00 0.00 H new ATOM 0 HG21 ILE A 65 26.344 25.555 17.995 1.00 0.00 H new ATOM 0 HG22 ILE A 65 27.696 26.650 17.620 1.00 0.00 H new ATOM 0 HG23 ILE A 65 26.716 25.962 16.303 1.00 0.00 H new ATOM 0 HD11 ILE A 65 25.735 22.073 17.479 1.00 0.00 H new ATOM 0 HD12 ILE A 65 26.802 22.728 18.744 1.00 0.00 H new ATOM 0 HD13 ILE A 65 25.597 23.779 17.965 1.00 0.00 H new ATOM 479 N ASP A 66 29.760 22.946 14.845 1.00 0.00 N ATOM 480 CA ASP A 66 30.506 21.695 14.533 1.00 0.00 C ATOM 481 C ASP A 66 30.550 21.489 13.018 1.00 0.00 C ATOM 482 O ASP A 66 29.548 21.208 12.390 1.00 0.00 O ATOM 483 CB ASP A 66 29.804 20.505 15.190 1.00 0.00 C ATOM 484 CG ASP A 66 30.641 19.241 14.983 1.00 0.00 C ATOM 485 OD1 ASP A 66 31.751 19.363 14.491 1.00 0.00 O ATOM 486 OD2 ASP A 66 30.158 18.173 15.320 1.00 0.00 O ATOM 0 H ASP A 66 29.068 23.225 14.149 1.00 0.00 H new ATOM 0 HA ASP A 66 31.523 21.774 14.917 1.00 0.00 H new ATOM 0 HB2 ASP A 66 29.667 20.693 16.255 1.00 0.00 H new ATOM 0 HB3 ASP A 66 28.812 20.371 14.759 1.00 0.00 H new ATOM 491 N LEU A 67 31.705 21.624 12.425 1.00 0.00 N ATOM 492 CA LEU A 67 31.813 21.432 10.952 1.00 0.00 C ATOM 493 C LEU A 67 32.410 20.054 10.662 1.00 0.00 C ATOM 494 O LEU A 67 33.526 19.759 11.039 1.00 0.00 O ATOM 495 CB LEU A 67 32.719 22.515 10.363 1.00 0.00 C ATOM 496 CG LEU A 67 32.356 22.741 8.894 1.00 0.00 C ATOM 497 CD1 LEU A 67 32.361 21.401 8.155 1.00 0.00 C ATOM 498 CD2 LEU A 67 30.963 23.368 8.804 1.00 0.00 C ATOM 0 H LEU A 67 32.578 21.859 12.897 1.00 0.00 H new ATOM 0 HA LEU A 67 30.823 21.502 10.501 1.00 0.00 H new ATOM 0 HB2 LEU A 67 32.606 23.443 10.923 1.00 0.00 H new ATOM 0 HB3 LEU A 67 33.764 22.216 10.449 1.00 0.00 H new ATOM 0 HG LEU A 67 33.086 23.410 8.438 1.00 0.00 H new ATOM 0 HD11 LEU A 67 32.102 21.562 7.108 1.00 0.00 H new ATOM 0 HD12 LEU A 67 33.353 20.954 8.219 1.00 0.00 H new ATOM 0 HD13 LEU A 67 31.631 20.732 8.610 1.00 0.00 H new ATOM 0 HD21 LEU A 67 30.704 23.529 7.758 1.00 0.00 H new ATOM 0 HD22 LEU A 67 30.233 22.699 9.260 1.00 0.00 H new ATOM 0 HD23 LEU A 67 30.959 24.323 9.330 1.00 0.00 H new ATOM 510 N SER A 68 31.674 19.206 9.996 1.00 0.00 N ATOM 511 CA SER A 68 32.201 17.847 9.687 1.00 0.00 C ATOM 512 C SER A 68 32.092 17.585 8.183 1.00 0.00 C ATOM 513 O SER A 68 31.165 18.024 7.533 1.00 0.00 O ATOM 514 CB SER A 68 31.386 16.798 10.447 1.00 0.00 C ATOM 515 OG SER A 68 31.971 15.517 10.260 1.00 0.00 O ATOM 0 H SER A 68 30.732 19.395 9.653 1.00 0.00 H new ATOM 0 HA SER A 68 33.246 17.786 9.991 1.00 0.00 H new ATOM 0 HB2 SER A 68 31.356 17.044 11.508 1.00 0.00 H new ATOM 0 HB3 SER A 68 30.356 16.795 10.091 1.00 0.00 H new ATOM 0 HG SER A 68 31.450 14.845 10.748 1.00 0.00 H new ATOM 521 N MET A 69 33.033 16.871 7.628 1.00 0.00 N ATOM 522 CA MET A 69 32.985 16.578 6.167 1.00 0.00 C ATOM 523 C MET A 69 33.103 15.068 5.947 1.00 0.00 C ATOM 524 O MET A 69 33.712 14.365 6.729 1.00 0.00 O ATOM 525 CB MET A 69 34.145 17.288 5.466 1.00 0.00 C ATOM 526 CG MET A 69 33.931 18.801 5.526 1.00 0.00 C ATOM 527 SD MET A 69 35.199 19.631 4.537 1.00 0.00 S ATOM 528 CE MET A 69 34.598 19.104 2.913 1.00 0.00 C ATOM 0 H MET A 69 33.833 16.478 8.123 1.00 0.00 H new ATOM 0 HA MET A 69 32.040 16.933 5.755 1.00 0.00 H new ATOM 0 HB2 MET A 69 35.088 17.025 5.944 1.00 0.00 H new ATOM 0 HB3 MET A 69 34.211 16.961 4.428 1.00 0.00 H new ATOM 0 HG2 MET A 69 32.939 19.054 5.151 1.00 0.00 H new ATOM 0 HG3 MET A 69 33.978 19.145 6.559 1.00 0.00 H new ATOM 0 HE1 MET A 69 35.277 18.359 2.498 1.00 0.00 H new ATOM 0 HE2 MET A 69 33.603 18.671 3.016 1.00 0.00 H new ATOM 0 HE3 MET A 69 34.552 19.964 2.245 1.00 0.00 H new ATOM 538 N ASP A 70 32.529 14.565 4.889 1.00 0.00 N ATOM 539 CA ASP A 70 32.611 13.101 4.622 1.00 0.00 C ATOM 540 C ASP A 70 33.175 12.868 3.220 1.00 0.00 C ATOM 541 O ASP A 70 32.464 12.936 2.237 1.00 0.00 O ATOM 542 CB ASP A 70 31.214 12.484 4.720 1.00 0.00 C ATOM 543 CG ASP A 70 31.253 11.273 5.654 1.00 0.00 C ATOM 544 OD1 ASP A 70 31.177 11.473 6.855 1.00 0.00 O ATOM 545 OD2 ASP A 70 31.361 10.166 5.152 1.00 0.00 O ATOM 0 H ASP A 70 32.007 15.104 4.198 1.00 0.00 H new ATOM 0 HA ASP A 70 33.266 12.635 5.358 1.00 0.00 H new ATOM 0 HB2 ASP A 70 30.505 13.222 5.094 1.00 0.00 H new ATOM 0 HB3 ASP A 70 30.868 12.183 3.731 1.00 0.00 H new ATOM 550 N PRO A 71 34.483 12.585 3.131 1.00 0.00 N ATOM 551 CA PRO A 71 35.150 12.339 1.851 1.00 0.00 C ATOM 552 C PRO A 71 34.827 10.960 1.240 1.00 0.00 C ATOM 553 O PRO A 71 34.864 10.806 0.035 1.00 0.00 O ATOM 554 CB PRO A 71 36.636 12.436 2.193 1.00 0.00 C ATOM 555 CG PRO A 71 36.731 12.119 3.649 1.00 0.00 C ATOM 556 CD PRO A 71 35.410 12.489 4.275 1.00 0.00 C ATOM 0 HA PRO A 71 34.819 13.052 1.096 1.00 0.00 H new ATOM 0 HB2 PRO A 71 37.222 11.734 1.599 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.023 13.433 1.982 1.00 0.00 H new ATOM 0 HG2 PRO A 71 36.944 11.061 3.799 1.00 0.00 H new ATOM 0 HG3 PRO A 71 37.545 12.677 4.112 1.00 0.00 H new ATOM 0 HD2 PRO A 71 35.083 11.735 4.991 1.00 0.00 H new ATOM 0 HD3 PRO A 71 35.476 13.434 4.815 1.00 0.00 H new ATOM 564 N PRO A 72 34.504 9.932 2.058 1.00 0.00 N ATOM 565 CA PRO A 72 34.189 8.600 1.529 1.00 0.00 C ATOM 566 C PRO A 72 32.788 8.551 0.910 1.00 0.00 C ATOM 567 O PRO A 72 32.512 7.750 0.040 1.00 0.00 O ATOM 568 CB PRO A 72 34.242 7.696 2.756 1.00 0.00 C ATOM 569 CG PRO A 72 33.950 8.594 3.911 1.00 0.00 C ATOM 570 CD PRO A 72 34.420 9.973 3.532 1.00 0.00 C ATOM 0 HA PRO A 72 34.879 8.306 0.738 1.00 0.00 H new ATOM 0 HB2 PRO A 72 33.509 6.892 2.686 1.00 0.00 H new ATOM 0 HB3 PRO A 72 35.221 7.227 2.858 1.00 0.00 H new ATOM 0 HG2 PRO A 72 32.883 8.599 4.134 1.00 0.00 H new ATOM 0 HG3 PRO A 72 34.462 8.246 4.808 1.00 0.00 H new ATOM 0 HD2 PRO A 72 33.722 10.739 3.870 1.00 0.00 H new ATOM 0 HD3 PRO A 72 35.387 10.202 3.980 1.00 0.00 H new ATOM 578 N ARG A 73 31.903 9.400 1.355 1.00 0.00 N ATOM 579 CA ARG A 73 30.523 9.398 0.795 1.00 0.00 C ATOM 580 C ARG A 73 30.298 10.672 -0.025 1.00 0.00 C ATOM 581 O ARG A 73 29.236 10.886 -0.575 1.00 0.00 O ATOM 582 CB ARG A 73 29.508 9.347 1.939 1.00 0.00 C ATOM 583 CG ARG A 73 29.686 8.046 2.723 1.00 0.00 C ATOM 584 CD ARG A 73 28.596 7.945 3.793 1.00 0.00 C ATOM 585 NE ARG A 73 28.901 6.808 4.707 1.00 0.00 N ATOM 586 CZ ARG A 73 28.254 6.686 5.833 1.00 0.00 C ATOM 587 NH1 ARG A 73 28.597 7.408 6.865 1.00 0.00 N ATOM 588 NH2 ARG A 73 27.262 5.843 5.928 1.00 0.00 N ATOM 0 H ARG A 73 32.076 10.094 2.082 1.00 0.00 H new ATOM 0 HA ARG A 73 30.396 8.526 0.154 1.00 0.00 H new ATOM 0 HB2 ARG A 73 29.645 10.203 2.599 1.00 0.00 H new ATOM 0 HB3 ARG A 73 28.494 9.409 1.543 1.00 0.00 H new ATOM 0 HG2 ARG A 73 29.630 7.191 2.049 1.00 0.00 H new ATOM 0 HG3 ARG A 73 30.671 8.021 3.188 1.00 0.00 H new ATOM 0 HD2 ARG A 73 28.539 8.875 4.359 1.00 0.00 H new ATOM 0 HD3 ARG A 73 27.623 7.798 3.324 1.00 0.00 H new ATOM 0 HE ARG A 73 29.615 6.126 4.452 1.00 0.00 H new ATOM 0 HH11 ARG A 73 29.371 8.068 6.791 1.00 0.00 H new ATOM 0 HH12 ARG A 73 28.091 7.312 7.745 1.00 0.00 H new ATOM 0 HH21 ARG A 73 26.993 5.279 5.122 1.00 0.00 H new ATOM 0 HH22 ARG A 73 26.756 5.748 6.809 1.00 0.00 H new ATOM 602 N ASN A 74 31.285 11.521 -0.109 1.00 0.00 N ATOM 603 CA ASN A 74 31.121 12.778 -0.892 1.00 0.00 C ATOM 604 C ASN A 74 29.994 13.612 -0.281 1.00 0.00 C ATOM 605 O ASN A 74 29.149 14.138 -0.978 1.00 0.00 O ATOM 606 CB ASN A 74 30.775 12.434 -2.342 1.00 0.00 C ATOM 607 CG ASN A 74 31.874 11.552 -2.936 1.00 0.00 C ATOM 608 OD1 ASN A 74 31.660 10.882 -3.927 1.00 0.00 O ATOM 609 ND2 ASN A 74 33.050 11.521 -2.372 1.00 0.00 N ATOM 0 H ASN A 74 32.197 11.399 0.330 1.00 0.00 H new ATOM 0 HA ASN A 74 32.050 13.348 -0.867 1.00 0.00 H new ATOM 0 HB2 ASN A 74 29.817 11.917 -2.385 1.00 0.00 H new ATOM 0 HB3 ASN A 74 30.671 13.347 -2.928 1.00 0.00 H new ATOM 0 HD21 ASN A 74 33.788 10.935 -2.763 1.00 0.00 H new ATOM 0 HD22 ASN A 74 33.232 12.083 -1.540 1.00 0.00 H new ATOM 616 N CYS A 75 29.973 13.734 1.017 1.00 0.00 N ATOM 617 CA CYS A 75 28.902 14.534 1.674 1.00 0.00 C ATOM 618 C CYS A 75 29.485 15.275 2.878 1.00 0.00 C ATOM 619 O CYS A 75 30.257 14.729 3.640 1.00 0.00 O ATOM 620 CB CYS A 75 27.784 13.600 2.144 1.00 0.00 C ATOM 621 SG CYS A 75 28.389 12.572 3.505 1.00 0.00 S ATOM 0 H CYS A 75 30.652 13.314 1.652 1.00 0.00 H new ATOM 0 HA CYS A 75 28.499 15.255 0.963 1.00 0.00 H new ATOM 0 HB2 CYS A 75 26.922 14.182 2.469 1.00 0.00 H new ATOM 0 HB3 CYS A 75 27.451 12.970 1.319 1.00 0.00 H new ATOM 0 HG CYS A 75 27.968 13.057 4.635 1.00 0.00 H new ATOM 627 N ALA A 76 29.125 16.517 3.055 1.00 0.00 N ATOM 628 CA ALA A 76 29.661 17.290 4.210 1.00 0.00 C ATOM 629 C ALA A 76 28.534 17.569 5.204 1.00 0.00 C ATOM 630 O ALA A 76 27.373 17.615 4.845 1.00 0.00 O ATOM 631 CB ALA A 76 30.242 18.615 3.711 1.00 0.00 C ATOM 0 H ALA A 76 28.483 17.029 2.450 1.00 0.00 H new ATOM 0 HA ALA A 76 30.444 16.713 4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 76 30.634 19.181 4.556 1.00 0.00 H new ATOM 0 HB2 ALA A 76 31.046 18.416 3.003 1.00 0.00 H new ATOM 0 HB3 ALA A 76 29.460 19.193 3.219 1.00 0.00 H new ATOM 637 N PHE A 77 28.864 17.754 6.453 1.00 0.00 N ATOM 638 CA PHE A 77 27.808 18.028 7.467 1.00 0.00 C ATOM 639 C PHE A 77 28.090 19.367 8.152 1.00 0.00 C ATOM 640 O PHE A 77 29.180 19.615 8.629 1.00 0.00 O ATOM 641 CB PHE A 77 27.802 16.910 8.512 1.00 0.00 C ATOM 642 CG PHE A 77 27.420 15.607 7.853 1.00 0.00 C ATOM 643 CD1 PHE A 77 28.410 14.788 7.298 1.00 0.00 C ATOM 644 CD2 PHE A 77 26.076 15.218 7.797 1.00 0.00 C ATOM 645 CE1 PHE A 77 28.056 13.579 6.686 1.00 0.00 C ATOM 646 CE2 PHE A 77 25.722 14.010 7.185 1.00 0.00 C ATOM 647 CZ PHE A 77 26.712 13.190 6.630 1.00 0.00 C ATOM 0 H PHE A 77 29.818 17.727 6.814 1.00 0.00 H new ATOM 0 HA PHE A 77 26.836 18.071 6.976 1.00 0.00 H new ATOM 0 HB2 PHE A 77 28.786 16.822 8.972 1.00 0.00 H new ATOM 0 HB3 PHE A 77 27.098 17.147 9.309 1.00 0.00 H new ATOM 0 HD1 PHE A 77 29.447 15.088 7.342 1.00 0.00 H new ATOM 0 HD2 PHE A 77 25.313 15.850 8.226 1.00 0.00 H new ATOM 0 HE1 PHE A 77 28.820 12.947 6.257 1.00 0.00 H new ATOM 0 HE2 PHE A 77 24.685 13.710 7.141 1.00 0.00 H new ATOM 0 HZ PHE A 77 26.439 12.257 6.159 1.00 0.00 H new ATOM 657 N VAL A 78 27.115 20.232 8.208 1.00 0.00 N ATOM 658 CA VAL A 78 27.326 21.553 8.865 1.00 0.00 C ATOM 659 C VAL A 78 26.345 21.701 10.028 1.00 0.00 C ATOM 660 O VAL A 78 25.190 21.341 9.924 1.00 0.00 O ATOM 661 CB VAL A 78 27.090 22.673 7.850 1.00 0.00 C ATOM 662 CG1 VAL A 78 27.463 24.017 8.479 1.00 0.00 C ATOM 663 CG2 VAL A 78 27.953 22.430 6.611 1.00 0.00 C ATOM 0 H VAL A 78 26.181 20.081 7.827 1.00 0.00 H new ATOM 0 HA VAL A 78 28.348 21.616 9.239 1.00 0.00 H new ATOM 0 HB VAL A 78 26.039 22.687 7.561 1.00 0.00 H new ATOM 0 HG11 VAL A 78 27.295 24.816 7.757 1.00 0.00 H new ATOM 0 HG12 VAL A 78 26.846 24.190 9.361 1.00 0.00 H new ATOM 0 HG13 VAL A 78 28.514 24.004 8.768 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.785 23.228 5.888 1.00 0.00 H new ATOM 0 HG22 VAL A 78 29.005 22.416 6.897 1.00 0.00 H new ATOM 0 HG23 VAL A 78 27.686 21.473 6.163 1.00 0.00 H new ATOM 673 N THR A 79 26.794 22.227 11.135 1.00 0.00 N ATOM 674 CA THR A 79 25.883 22.392 12.303 1.00 0.00 C ATOM 675 C THR A 79 25.535 23.873 12.479 1.00 0.00 C ATOM 676 O THR A 79 26.384 24.735 12.388 1.00 0.00 O ATOM 677 CB THR A 79 26.579 21.879 13.566 1.00 0.00 C ATOM 678 OG1 THR A 79 27.416 20.782 13.231 1.00 0.00 O ATOM 679 CG2 THR A 79 25.527 21.430 14.583 1.00 0.00 C ATOM 0 H THR A 79 27.751 22.549 11.281 1.00 0.00 H new ATOM 0 HA THR A 79 24.969 21.824 12.132 1.00 0.00 H new ATOM 0 HB THR A 79 27.182 22.677 13.999 1.00 0.00 H new ATOM 0 HG1 THR A 79 28.162 21.096 12.678 1.00 0.00 H new ATOM 0 HG21 THR A 79 26.023 21.065 15.482 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.886 22.273 14.839 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.922 20.632 14.153 1.00 0.00 H new ATOM 687 N TYR A 80 24.289 24.172 12.731 1.00 0.00 N ATOM 688 CA TYR A 80 23.887 25.596 12.917 1.00 0.00 C ATOM 689 C TYR A 80 23.297 25.779 14.315 1.00 0.00 C ATOM 690 O TYR A 80 22.325 25.144 14.673 1.00 0.00 O ATOM 691 CB TYR A 80 22.835 25.971 11.872 1.00 0.00 C ATOM 692 CG TYR A 80 23.505 26.633 10.693 1.00 0.00 C ATOM 693 CD1 TYR A 80 24.512 27.585 10.898 1.00 0.00 C ATOM 694 CD2 TYR A 80 23.118 26.293 9.392 1.00 0.00 C ATOM 695 CE1 TYR A 80 25.131 28.196 9.801 1.00 0.00 C ATOM 696 CE2 TYR A 80 23.737 26.903 8.295 1.00 0.00 C ATOM 697 CZ TYR A 80 24.744 27.854 8.501 1.00 0.00 C ATOM 698 OH TYR A 80 25.354 28.455 7.419 1.00 0.00 O ATOM 0 H TYR A 80 23.533 23.493 12.816 1.00 0.00 H new ATOM 0 HA TYR A 80 24.761 26.237 12.801 1.00 0.00 H new ATOM 0 HB2 TYR A 80 22.299 25.080 11.545 1.00 0.00 H new ATOM 0 HB3 TYR A 80 22.098 26.644 12.309 1.00 0.00 H new ATOM 0 HD1 TYR A 80 24.811 27.848 11.902 1.00 0.00 H new ATOM 0 HD2 TYR A 80 22.341 25.559 9.234 1.00 0.00 H new ATOM 0 HE1 TYR A 80 25.907 28.931 9.958 1.00 0.00 H new ATOM 0 HE2 TYR A 80 23.438 26.641 7.291 1.00 0.00 H new ATOM 0 HH TYR A 80 25.885 29.220 7.726 1.00 0.00 H new ATOM 708 N GLU A 81 23.877 26.644 15.105 1.00 0.00 N ATOM 709 CA GLU A 81 23.356 26.876 16.483 1.00 0.00 C ATOM 710 C GLU A 81 21.827 26.887 16.465 1.00 0.00 C ATOM 711 O GLU A 81 21.183 26.364 17.354 1.00 0.00 O ATOM 712 CB GLU A 81 23.864 28.225 16.997 1.00 0.00 C ATOM 713 CG GLU A 81 23.550 28.353 18.489 1.00 0.00 C ATOM 714 CD GLU A 81 24.100 29.681 19.012 1.00 0.00 C ATOM 715 OE1 GLU A 81 24.690 30.405 18.229 1.00 0.00 O ATOM 716 OE2 GLU A 81 23.920 29.952 20.188 1.00 0.00 O ATOM 0 H GLU A 81 24.693 27.202 14.853 1.00 0.00 H new ATOM 0 HA GLU A 81 23.703 26.076 17.137 1.00 0.00 H new ATOM 0 HB2 GLU A 81 24.938 28.308 16.832 1.00 0.00 H new ATOM 0 HB3 GLU A 81 23.393 29.038 16.444 1.00 0.00 H new ATOM 0 HG2 GLU A 81 22.473 28.304 18.651 1.00 0.00 H new ATOM 0 HG3 GLU A 81 23.993 27.522 19.038 1.00 0.00 H new ATOM 723 N LYS A 82 21.239 27.475 15.462 1.00 0.00 N ATOM 724 CA LYS A 82 19.753 27.517 15.388 1.00 0.00 C ATOM 725 C LYS A 82 19.289 26.883 14.077 1.00 0.00 C ATOM 726 O LYS A 82 20.057 26.718 13.150 1.00 0.00 O ATOM 727 CB LYS A 82 19.281 28.971 15.444 1.00 0.00 C ATOM 728 CG LYS A 82 19.881 29.657 16.673 1.00 0.00 C ATOM 729 CD LYS A 82 19.267 31.049 16.832 1.00 0.00 C ATOM 730 CE LYS A 82 19.813 31.973 15.742 1.00 0.00 C ATOM 731 NZ LYS A 82 20.690 33.007 16.361 1.00 0.00 N ATOM 0 H LYS A 82 21.725 27.929 14.689 1.00 0.00 H new ATOM 0 HA LYS A 82 19.332 26.964 16.228 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.582 29.497 14.538 1.00 0.00 H new ATOM 0 HB3 LYS A 82 18.193 29.009 15.488 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.691 29.060 17.565 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.963 29.735 16.567 1.00 0.00 H new ATOM 0 HD2 LYS A 82 18.181 30.989 16.763 1.00 0.00 H new ATOM 0 HD3 LYS A 82 19.502 31.452 17.817 1.00 0.00 H new ATOM 0 HE2 LYS A 82 20.376 31.395 15.009 1.00 0.00 H new ATOM 0 HE3 LYS A 82 18.991 32.450 15.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 21.062 33.636 15.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 20.140 33.565 17.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 21.482 32.543 16.850 1.00 0.00 H new ATOM 745 N MET A 83 18.037 26.526 13.989 1.00 0.00 N ATOM 746 CA MET A 83 17.529 25.903 12.735 1.00 0.00 C ATOM 747 C MET A 83 17.249 26.997 11.703 1.00 0.00 C ATOM 748 O MET A 83 17.070 26.727 10.532 1.00 0.00 O ATOM 749 CB MET A 83 16.238 25.137 13.032 1.00 0.00 C ATOM 750 CG MET A 83 16.427 24.283 14.287 1.00 0.00 C ATOM 751 SD MET A 83 17.062 22.654 13.819 1.00 0.00 S ATOM 752 CE MET A 83 18.090 22.383 15.283 1.00 0.00 C ATOM 0 H MET A 83 17.345 26.639 14.730 1.00 0.00 H new ATOM 0 HA MET A 83 18.276 25.214 12.341 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.413 25.835 13.175 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.976 24.504 12.185 1.00 0.00 H new ATOM 0 HG2 MET A 83 17.120 24.772 14.972 1.00 0.00 H new ATOM 0 HG3 MET A 83 15.479 24.178 14.814 1.00 0.00 H new ATOM 0 HE1 MET A 83 18.770 21.551 15.101 1.00 0.00 H new ATOM 0 HE2 MET A 83 18.667 23.283 15.494 1.00 0.00 H new ATOM 0 HE3 MET A 83 17.453 22.151 16.137 1.00 0.00 H new ATOM 762 N GLU A 84 17.211 28.232 12.127 1.00 0.00 N ATOM 763 CA GLU A 84 16.945 29.342 11.169 1.00 0.00 C ATOM 764 C GLU A 84 18.148 29.513 10.239 1.00 0.00 C ATOM 765 O GLU A 84 18.005 29.821 9.072 1.00 0.00 O ATOM 766 CB GLU A 84 16.709 30.641 11.943 1.00 0.00 C ATOM 767 CG GLU A 84 15.408 30.531 12.741 1.00 0.00 C ATOM 768 CD GLU A 84 15.106 31.873 13.411 1.00 0.00 C ATOM 769 OE1 GLU A 84 15.967 32.737 13.378 1.00 0.00 O ATOM 770 OE2 GLU A 84 14.018 32.014 13.946 1.00 0.00 O ATOM 0 H GLU A 84 17.353 28.519 13.095 1.00 0.00 H new ATOM 0 HA GLU A 84 16.060 29.106 10.578 1.00 0.00 H new ATOM 0 HB2 GLU A 84 17.545 30.833 12.615 1.00 0.00 H new ATOM 0 HB3 GLU A 84 16.655 31.483 11.253 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.587 30.249 12.082 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.496 29.748 13.494 1.00 0.00 H new ATOM 777 N SER A 85 19.335 29.316 10.746 1.00 0.00 N ATOM 778 CA SER A 85 20.547 29.468 9.891 1.00 0.00 C ATOM 779 C SER A 85 20.623 28.304 8.903 1.00 0.00 C ATOM 780 O SER A 85 21.105 28.445 7.797 1.00 0.00 O ATOM 781 CB SER A 85 21.795 29.467 10.774 1.00 0.00 C ATOM 782 OG SER A 85 22.953 29.568 9.957 1.00 0.00 O ATOM 0 H SER A 85 19.518 29.056 11.715 1.00 0.00 H new ATOM 0 HA SER A 85 20.489 30.408 9.342 1.00 0.00 H new ATOM 0 HB2 SER A 85 21.758 30.300 11.475 1.00 0.00 H new ATOM 0 HB3 SER A 85 21.834 28.553 11.367 1.00 0.00 H new ATOM 0 HG SER A 85 23.391 28.693 9.901 1.00 0.00 H new ATOM 788 N ALA A 86 20.152 27.152 9.294 1.00 0.00 N ATOM 789 CA ALA A 86 20.197 25.977 8.380 1.00 0.00 C ATOM 790 C ALA A 86 19.061 26.079 7.359 1.00 0.00 C ATOM 791 O ALA A 86 19.182 25.630 6.237 1.00 0.00 O ATOM 792 CB ALA A 86 20.040 24.692 9.197 1.00 0.00 C ATOM 0 H ALA A 86 19.737 26.974 10.209 1.00 0.00 H new ATOM 0 HA ALA A 86 21.152 25.959 7.855 1.00 0.00 H new ATOM 0 HB1 ALA A 86 20.073 23.831 8.530 1.00 0.00 H new ATOM 0 HB2 ALA A 86 20.851 24.620 9.922 1.00 0.00 H new ATOM 0 HB3 ALA A 86 19.085 24.709 9.722 1.00 0.00 H new ATOM 798 N ASP A 87 17.959 26.665 7.738 1.00 0.00 N ATOM 799 CA ASP A 87 16.818 26.792 6.786 1.00 0.00 C ATOM 800 C ASP A 87 17.169 27.807 5.694 1.00 0.00 C ATOM 801 O ASP A 87 16.965 27.566 4.522 1.00 0.00 O ATOM 802 CB ASP A 87 15.574 27.264 7.541 1.00 0.00 C ATOM 803 CG ASP A 87 14.364 27.221 6.605 1.00 0.00 C ATOM 804 OD1 ASP A 87 14.512 26.728 5.500 1.00 0.00 O ATOM 805 OD2 ASP A 87 13.310 27.682 7.012 1.00 0.00 O ATOM 0 H ASP A 87 17.799 27.061 8.664 1.00 0.00 H new ATOM 0 HA ASP A 87 16.620 25.823 6.328 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.399 26.628 8.409 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.724 28.277 7.913 1.00 0.00 H new ATOM 810 N GLN A 88 17.692 28.941 6.071 1.00 0.00 N ATOM 811 CA GLN A 88 18.052 29.970 5.053 1.00 0.00 C ATOM 812 C GLN A 88 19.234 29.475 4.217 1.00 0.00 C ATOM 813 O GLN A 88 19.271 29.649 3.015 1.00 0.00 O ATOM 814 CB GLN A 88 18.437 31.273 5.759 1.00 0.00 C ATOM 815 CG GLN A 88 18.798 32.332 4.717 1.00 0.00 C ATOM 816 CD GLN A 88 19.145 33.643 5.424 1.00 0.00 C ATOM 817 OE1 GLN A 88 19.019 33.749 6.628 1.00 0.00 O ATOM 818 NE2 GLN A 88 19.582 34.653 4.722 1.00 0.00 N ATOM 0 H GLN A 88 17.886 29.200 7.038 1.00 0.00 H new ATOM 0 HA GLN A 88 17.197 30.147 4.401 1.00 0.00 H new ATOM 0 HB2 GLN A 88 17.609 31.623 6.376 1.00 0.00 H new ATOM 0 HB3 GLN A 88 19.282 31.101 6.426 1.00 0.00 H new ATOM 0 HG2 GLN A 88 19.643 31.995 4.117 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.963 32.485 4.033 1.00 0.00 H new ATOM 0 HE21 GLN A 88 19.688 34.564 3.711 1.00 0.00 H new ATOM 0 HE22 GLN A 88 19.818 35.531 5.184 1.00 0.00 H new ATOM 827 N ALA A 89 20.203 28.863 4.842 1.00 0.00 N ATOM 828 CA ALA A 89 21.380 28.361 4.078 1.00 0.00 C ATOM 829 C ALA A 89 20.950 27.207 3.170 1.00 0.00 C ATOM 830 O ALA A 89 21.375 27.106 2.037 1.00 0.00 O ATOM 831 CB ALA A 89 22.450 27.871 5.055 1.00 0.00 C ATOM 0 H ALA A 89 20.230 28.689 5.847 1.00 0.00 H new ATOM 0 HA ALA A 89 21.786 29.168 3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 89 23.311 27.504 4.497 1.00 0.00 H new ATOM 0 HB2 ALA A 89 22.759 28.694 5.699 1.00 0.00 H new ATOM 0 HB3 ALA A 89 22.043 27.065 5.666 1.00 0.00 H new ATOM 837 N VAL A 90 20.112 26.333 3.659 1.00 0.00 N ATOM 838 CA VAL A 90 19.661 25.187 2.819 1.00 0.00 C ATOM 839 C VAL A 90 18.948 25.712 1.572 1.00 0.00 C ATOM 840 O VAL A 90 19.051 25.146 0.502 1.00 0.00 O ATOM 841 CB VAL A 90 18.695 24.310 3.620 1.00 0.00 C ATOM 842 CG1 VAL A 90 18.039 23.292 2.685 1.00 0.00 C ATOM 843 CG2 VAL A 90 19.462 23.571 4.719 1.00 0.00 C ATOM 0 H VAL A 90 19.721 26.363 4.601 1.00 0.00 H new ATOM 0 HA VAL A 90 20.529 24.598 2.523 1.00 0.00 H new ATOM 0 HB VAL A 90 17.928 24.937 4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 90 17.351 22.667 3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 90 17.491 23.817 1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 90 18.808 22.666 2.232 1.00 0.00 H new ATOM 0 HG21 VAL A 90 18.772 22.947 5.288 1.00 0.00 H new ATOM 0 HG22 VAL A 90 20.230 22.943 4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 90 19.930 24.295 5.386 1.00 0.00 H new ATOM 853 N ALA A 91 18.220 26.787 1.700 1.00 0.00 N ATOM 854 CA ALA A 91 17.496 27.343 0.522 1.00 0.00 C ATOM 855 C ALA A 91 18.483 28.057 -0.405 1.00 0.00 C ATOM 856 O ALA A 91 18.555 27.776 -1.585 1.00 0.00 O ATOM 857 CB ALA A 91 16.438 28.340 0.997 1.00 0.00 C ATOM 0 H ALA A 91 18.095 27.305 2.570 1.00 0.00 H new ATOM 0 HA ALA A 91 17.016 26.528 -0.020 1.00 0.00 H new ATOM 0 HB1 ALA A 91 15.908 28.747 0.135 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.729 27.834 1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.921 29.151 1.542 1.00 0.00 H new ATOM 863 N GLU A 92 19.240 28.981 0.117 1.00 0.00 N ATOM 864 CA GLU A 92 20.213 29.718 -0.738 1.00 0.00 C ATOM 865 C GLU A 92 21.324 28.769 -1.194 1.00 0.00 C ATOM 866 O GLU A 92 21.716 28.765 -2.345 1.00 0.00 O ATOM 867 CB GLU A 92 20.823 30.871 0.061 1.00 0.00 C ATOM 868 CG GLU A 92 19.717 31.843 0.476 1.00 0.00 C ATOM 869 CD GLU A 92 19.103 32.479 -0.773 1.00 0.00 C ATOM 870 OE1 GLU A 92 19.714 32.383 -1.824 1.00 0.00 O ATOM 871 OE2 GLU A 92 18.031 33.051 -0.658 1.00 0.00 O ATOM 0 H GLU A 92 19.227 29.258 1.099 1.00 0.00 H new ATOM 0 HA GLU A 92 19.696 30.113 -1.612 1.00 0.00 H new ATOM 0 HB2 GLU A 92 21.334 30.486 0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 92 21.571 31.389 -0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 92 18.950 31.317 1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 92 20.123 32.616 1.129 1.00 0.00 H new ATOM 878 N LEU A 93 21.839 27.965 -0.304 1.00 0.00 N ATOM 879 CA LEU A 93 22.927 27.023 -0.693 1.00 0.00 C ATOM 880 C LEU A 93 22.377 25.981 -1.670 1.00 0.00 C ATOM 881 O LEU A 93 23.037 25.593 -2.613 1.00 0.00 O ATOM 882 CB LEU A 93 23.463 26.321 0.555 1.00 0.00 C ATOM 883 CG LEU A 93 24.027 27.362 1.524 1.00 0.00 C ATOM 884 CD1 LEU A 93 24.524 26.665 2.791 1.00 0.00 C ATOM 885 CD2 LEU A 93 25.192 28.100 0.857 1.00 0.00 C ATOM 0 H LEU A 93 21.554 27.920 0.674 1.00 0.00 H new ATOM 0 HA LEU A 93 23.734 27.578 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 93 22.666 25.754 1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 93 24.239 25.608 0.279 1.00 0.00 H new ATOM 0 HG LEU A 93 23.246 28.075 1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 93 24.926 27.407 3.481 1.00 0.00 H new ATOM 0 HD12 LEU A 93 23.696 26.139 3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 93 25.305 25.951 2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 93 25.595 28.842 1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 93 25.973 27.386 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 93 24.838 28.598 -0.046 1.00 0.00 H new ATOM 897 N ASN A 94 21.175 25.524 -1.452 1.00 0.00 N ATOM 898 CA ASN A 94 20.586 24.507 -2.369 1.00 0.00 C ATOM 899 C ASN A 94 20.217 25.169 -3.699 1.00 0.00 C ATOM 900 O ASN A 94 19.421 26.085 -3.746 1.00 0.00 O ATOM 901 CB ASN A 94 19.331 23.911 -1.732 1.00 0.00 C ATOM 902 CG ASN A 94 18.804 22.773 -2.609 1.00 0.00 C ATOM 903 OD1 ASN A 94 19.346 22.502 -3.662 1.00 0.00 O ATOM 904 ND2 ASN A 94 17.763 22.092 -2.216 1.00 0.00 N ATOM 0 H ASN A 94 20.575 25.811 -0.679 1.00 0.00 H new ATOM 0 HA ASN A 94 21.314 23.716 -2.547 1.00 0.00 H new ATOM 0 HB2 ASN A 94 19.559 23.539 -0.733 1.00 0.00 H new ATOM 0 HB3 ASN A 94 18.567 24.681 -1.619 1.00 0.00 H new ATOM 0 HD21 ASN A 94 17.404 21.331 -2.793 1.00 0.00 H new ATOM 0 HD22 ASN A 94 17.308 22.320 -1.332 1.00 0.00 H new ATOM 911 N GLY A 95 20.789 24.711 -4.779 1.00 0.00 N ATOM 912 CA GLY A 95 20.468 25.314 -6.104 1.00 0.00 C ATOM 913 C GLY A 95 21.636 26.189 -6.561 1.00 0.00 C ATOM 914 O GLY A 95 21.531 26.934 -7.515 1.00 0.00 O ATOM 0 H GLY A 95 21.464 23.946 -4.801 1.00 0.00 H new ATOM 0 HA2 GLY A 95 20.279 24.529 -6.837 1.00 0.00 H new ATOM 0 HA3 GLY A 95 19.558 25.910 -6.034 1.00 0.00 H new ATOM 918 N THR A 96 22.750 26.106 -5.888 1.00 0.00 N ATOM 919 CA THR A 96 23.924 26.934 -6.284 1.00 0.00 C ATOM 920 C THR A 96 24.988 26.039 -6.922 1.00 0.00 C ATOM 921 O THR A 96 25.023 24.844 -6.702 1.00 0.00 O ATOM 922 CB THR A 96 24.507 27.617 -5.045 1.00 0.00 C ATOM 923 OG1 THR A 96 25.147 26.647 -4.228 1.00 0.00 O ATOM 924 CG2 THR A 96 23.383 28.290 -4.255 1.00 0.00 C ATOM 0 H THR A 96 22.898 25.501 -5.081 1.00 0.00 H new ATOM 0 HA THR A 96 23.609 27.691 -7.002 1.00 0.00 H new ATOM 0 HB THR A 96 25.233 28.369 -5.353 1.00 0.00 H new ATOM 0 HG1 THR A 96 24.484 26.221 -3.646 1.00 0.00 H new ATOM 0 HG21 THR A 96 23.799 28.776 -3.373 1.00 0.00 H new ATOM 0 HG22 THR A 96 22.893 29.034 -4.882 1.00 0.00 H new ATOM 0 HG23 THR A 96 22.655 27.539 -3.946 1.00 0.00 H new ATOM 932 N GLN A 97 25.857 26.606 -7.713 1.00 0.00 N ATOM 933 CA GLN A 97 26.917 25.789 -8.366 1.00 0.00 C ATOM 934 C GLN A 97 28.282 26.438 -8.126 1.00 0.00 C ATOM 935 O GLN A 97 28.404 27.645 -8.067 1.00 0.00 O ATOM 936 CB GLN A 97 26.649 25.711 -9.870 1.00 0.00 C ATOM 937 CG GLN A 97 27.568 24.663 -10.499 1.00 0.00 C ATOM 938 CD GLN A 97 27.251 24.535 -11.991 1.00 0.00 C ATOM 939 OE1 GLN A 97 26.302 25.120 -12.474 1.00 0.00 O ATOM 940 NE2 GLN A 97 28.012 23.790 -12.745 1.00 0.00 N ATOM 0 H GLN A 97 25.878 27.601 -7.935 1.00 0.00 H new ATOM 0 HA GLN A 97 26.912 24.784 -7.943 1.00 0.00 H new ATOM 0 HB2 GLN A 97 25.606 25.451 -10.051 1.00 0.00 H new ATOM 0 HB3 GLN A 97 26.820 26.684 -10.331 1.00 0.00 H new ATOM 0 HG2 GLN A 97 28.611 24.949 -10.361 1.00 0.00 H new ATOM 0 HG3 GLN A 97 27.433 23.701 -10.004 1.00 0.00 H new ATOM 0 HE21 GLN A 97 28.809 23.299 -12.339 1.00 0.00 H new ATOM 0 HE22 GLN A 97 27.810 23.698 -13.741 1.00 0.00 H new ATOM 949 N VAL A 98 29.309 25.646 -7.987 1.00 0.00 N ATOM 950 CA VAL A 98 30.665 26.219 -7.751 1.00 0.00 C ATOM 951 C VAL A 98 31.330 26.521 -9.096 1.00 0.00 C ATOM 952 O VAL A 98 30.673 26.857 -10.061 1.00 0.00 O ATOM 953 CB VAL A 98 31.518 25.214 -6.970 1.00 0.00 C ATOM 954 CG1 VAL A 98 32.546 25.969 -6.125 1.00 0.00 C ATOM 955 CG2 VAL A 98 30.620 24.380 -6.053 1.00 0.00 C ATOM 0 H VAL A 98 29.269 24.628 -8.026 1.00 0.00 H new ATOM 0 HA VAL A 98 30.576 27.140 -7.175 1.00 0.00 H new ATOM 0 HB VAL A 98 32.032 24.555 -7.670 1.00 0.00 H new ATOM 0 HG11 VAL A 98 33.154 25.256 -5.568 1.00 0.00 H new ATOM 0 HG12 VAL A 98 33.188 26.562 -6.777 1.00 0.00 H new ATOM 0 HG13 VAL A 98 32.030 26.628 -5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 98 31.229 23.666 -5.499 1.00 0.00 H new ATOM 0 HG22 VAL A 98 30.104 25.037 -5.353 1.00 0.00 H new ATOM 0 HG23 VAL A 98 29.886 23.842 -6.653 1.00 0.00 H new ATOM 965 N GLU A 99 32.629 26.404 -9.169 1.00 0.00 N ATOM 966 CA GLU A 99 33.331 26.685 -10.454 1.00 0.00 C ATOM 967 C GLU A 99 32.876 25.681 -11.516 1.00 0.00 C ATOM 968 O GLU A 99 32.647 26.031 -12.657 1.00 0.00 O ATOM 969 CB GLU A 99 34.841 26.559 -10.245 1.00 0.00 C ATOM 970 CG GLU A 99 35.317 27.657 -9.292 1.00 0.00 C ATOM 971 CD GLU A 99 36.839 27.589 -9.154 1.00 0.00 C ATOM 972 OE1 GLU A 99 37.417 26.637 -9.654 1.00 0.00 O ATOM 973 OE2 GLU A 99 37.401 28.490 -8.552 1.00 0.00 O ATOM 0 H GLU A 99 33.233 26.126 -8.395 1.00 0.00 H new ATOM 0 HA GLU A 99 33.092 27.695 -10.786 1.00 0.00 H new ATOM 0 HB2 GLU A 99 35.082 25.578 -9.836 1.00 0.00 H new ATOM 0 HB3 GLU A 99 35.359 26.642 -11.200 1.00 0.00 H new ATOM 0 HG2 GLU A 99 35.019 28.635 -9.669 1.00 0.00 H new ATOM 0 HG3 GLU A 99 34.847 27.535 -8.316 1.00 0.00 H new ATOM 980 N SER A 100 32.746 24.435 -11.151 1.00 0.00 N ATOM 981 CA SER A 100 32.308 23.411 -12.141 1.00 0.00 C ATOM 982 C SER A 100 31.620 22.256 -11.410 1.00 0.00 C ATOM 983 O SER A 100 31.561 21.147 -11.900 1.00 0.00 O ATOM 984 CB SER A 100 33.526 22.882 -12.901 1.00 0.00 C ATOM 985 OG SER A 100 33.648 23.570 -14.136 1.00 0.00 O ATOM 0 H SER A 100 32.924 24.082 -10.211 1.00 0.00 H new ATOM 0 HA SER A 100 31.609 23.862 -12.845 1.00 0.00 H new ATOM 0 HB2 SER A 100 34.428 23.020 -12.305 1.00 0.00 H new ATOM 0 HB3 SER A 100 33.421 21.812 -13.078 1.00 0.00 H new ATOM 0 HG SER A 100 33.375 24.504 -14.019 1.00 0.00 H new ATOM 991 N VAL A 101 31.099 22.508 -10.240 1.00 0.00 N ATOM 992 CA VAL A 101 30.416 21.424 -9.479 1.00 0.00 C ATOM 993 C VAL A 101 29.155 21.983 -8.818 1.00 0.00 C ATOM 994 O VAL A 101 29.093 23.141 -8.453 1.00 0.00 O ATOM 995 CB VAL A 101 31.360 20.883 -8.403 1.00 0.00 C ATOM 996 CG1 VAL A 101 30.679 19.733 -7.658 1.00 0.00 C ATOM 997 CG2 VAL A 101 32.645 20.375 -9.060 1.00 0.00 C ATOM 0 H VAL A 101 31.117 23.417 -9.779 1.00 0.00 H new ATOM 0 HA VAL A 101 30.143 20.618 -10.160 1.00 0.00 H new ATOM 0 HB VAL A 101 31.602 21.679 -7.699 1.00 0.00 H new ATOM 0 HG11 VAL A 101 31.351 19.347 -6.891 1.00 0.00 H new ATOM 0 HG12 VAL A 101 29.764 20.094 -7.189 1.00 0.00 H new ATOM 0 HG13 VAL A 101 30.436 18.937 -8.362 1.00 0.00 H new ATOM 0 HG21 VAL A 101 33.318 19.990 -8.294 1.00 0.00 H new ATOM 0 HG22 VAL A 101 32.403 19.579 -9.764 1.00 0.00 H new ATOM 0 HG23 VAL A 101 33.131 21.194 -9.591 1.00 0.00 H new ATOM 1007 N GLN A 102 28.144 21.170 -8.663 1.00 0.00 N ATOM 1008 CA GLN A 102 26.888 21.656 -8.029 1.00 0.00 C ATOM 1009 C GLN A 102 26.882 21.274 -6.548 1.00 0.00 C ATOM 1010 O GLN A 102 27.302 20.197 -6.173 1.00 0.00 O ATOM 1011 CB GLN A 102 25.688 21.011 -8.726 1.00 0.00 C ATOM 1012 CG GLN A 102 24.403 21.698 -8.262 1.00 0.00 C ATOM 1013 CD GLN A 102 23.200 21.045 -8.946 1.00 0.00 C ATOM 1014 OE1 GLN A 102 22.897 19.894 -8.700 1.00 0.00 O ATOM 1015 NE2 GLN A 102 22.497 21.735 -9.800 1.00 0.00 N ATOM 0 H GLN A 102 28.135 20.191 -8.949 1.00 0.00 H new ATOM 0 HA GLN A 102 26.827 22.740 -8.123 1.00 0.00 H new ATOM 0 HB2 GLN A 102 25.791 21.099 -9.808 1.00 0.00 H new ATOM 0 HB3 GLN A 102 25.648 19.946 -8.495 1.00 0.00 H new ATOM 0 HG2 GLN A 102 24.306 21.619 -7.179 1.00 0.00 H new ATOM 0 HG3 GLN A 102 24.439 22.761 -8.502 1.00 0.00 H new ATOM 0 HE21 GLN A 102 22.751 22.701 -10.007 1.00 0.00 H new ATOM 0 HE22 GLN A 102 21.693 21.309 -10.261 1.00 0.00 H new ATOM 1024 N LEU A 103 26.408 22.148 -5.702 1.00 0.00 N ATOM 1025 CA LEU A 103 26.376 21.832 -4.247 1.00 0.00 C ATOM 1026 C LEU A 103 24.944 21.496 -3.830 1.00 0.00 C ATOM 1027 O LEU A 103 24.000 22.146 -4.236 1.00 0.00 O ATOM 1028 CB LEU A 103 26.867 23.042 -3.449 1.00 0.00 C ATOM 1029 CG LEU A 103 28.315 23.352 -3.833 1.00 0.00 C ATOM 1030 CD1 LEU A 103 28.747 24.662 -3.170 1.00 0.00 C ATOM 1031 CD2 LEU A 103 29.222 22.216 -3.358 1.00 0.00 C ATOM 0 H LEU A 103 26.042 23.066 -5.956 1.00 0.00 H new ATOM 0 HA LEU A 103 27.024 20.978 -4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 103 26.233 23.906 -3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 103 26.798 22.839 -2.380 1.00 0.00 H new ATOM 0 HG LEU A 103 28.392 23.449 -4.916 1.00 0.00 H new ATOM 0 HD11 LEU A 103 29.779 24.885 -3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 103 28.100 25.471 -3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 103 28.671 24.564 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 103 30.254 22.436 -3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 103 29.146 22.118 -2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 103 28.913 21.283 -3.829 1.00 0.00 H new ATOM 1043 N LYS A 104 24.774 20.487 -3.022 1.00 0.00 N ATOM 1044 CA LYS A 104 23.403 20.111 -2.577 1.00 0.00 C ATOM 1045 C LYS A 104 23.306 20.260 -1.058 1.00 0.00 C ATOM 1046 O LYS A 104 24.212 19.903 -0.331 1.00 0.00 O ATOM 1047 CB LYS A 104 23.120 18.659 -2.968 1.00 0.00 C ATOM 1048 CG LYS A 104 23.171 18.523 -4.492 1.00 0.00 C ATOM 1049 CD LYS A 104 22.804 17.093 -4.890 1.00 0.00 C ATOM 1050 CE LYS A 104 22.979 16.924 -6.401 1.00 0.00 C ATOM 1051 NZ LYS A 104 22.999 15.472 -6.739 1.00 0.00 N ATOM 0 H LYS A 104 25.526 19.906 -2.650 1.00 0.00 H new ATOM 0 HA LYS A 104 22.672 20.763 -3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 104 23.854 17.997 -2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 104 22.141 18.355 -2.597 1.00 0.00 H new ATOM 0 HG2 LYS A 104 22.481 19.229 -4.954 1.00 0.00 H new ATOM 0 HG3 LYS A 104 24.169 18.768 -4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 104 23.436 16.382 -4.358 1.00 0.00 H new ATOM 0 HD3 LYS A 104 21.774 16.878 -4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 104 22.165 17.420 -6.930 1.00 0.00 H new ATOM 0 HE3 LYS A 104 23.906 17.397 -6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 23.118 15.356 -7.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 23.790 15.011 -6.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 22.103 15.034 -6.443 1.00 0.00 H new ATOM 1065 N VAL A 105 22.217 20.786 -0.572 1.00 0.00 N ATOM 1066 CA VAL A 105 22.066 20.959 0.900 1.00 0.00 C ATOM 1067 C VAL A 105 20.808 20.230 1.372 1.00 0.00 C ATOM 1068 O VAL A 105 19.804 20.199 0.692 1.00 0.00 O ATOM 1069 CB VAL A 105 21.950 22.449 1.225 1.00 0.00 C ATOM 1070 CG1 VAL A 105 21.821 22.634 2.738 1.00 0.00 C ATOM 1071 CG2 VAL A 105 23.200 23.177 0.728 1.00 0.00 C ATOM 0 H VAL A 105 21.425 21.104 -1.130 1.00 0.00 H new ATOM 0 HA VAL A 105 22.936 20.543 1.409 1.00 0.00 H new ATOM 0 HB VAL A 105 21.069 22.860 0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 105 21.738 23.696 2.969 1.00 0.00 H new ATOM 0 HG12 VAL A 105 20.931 22.115 3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 105 22.702 22.223 3.231 1.00 0.00 H new ATOM 0 HG21 VAL A 105 23.118 24.239 0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 105 24.081 22.765 1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 105 23.293 23.046 -0.350 1.00 0.00 H new