USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 622 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 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= -0.282 USER MOD Single : A 14 SER OG : rot 160:sc= -1.06 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 30:sc= -0.0981 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0221 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -120:sc= -1.37 USER MOD Single : A 35 LYS NZ :NH3+ 137:sc= 0.22 (180deg=0) USER MOD Single : A 36 CYS SG : rot 16:sc= 0.313 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.357 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= -0.418 USER MOD Single : A 49 MET CE :methyl -154:sc= -6.05! (180deg=-7.3!) USER MOD Single : A 54 TYR OH : rot -4:sc= 0.243 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00119) USER MOD Single : A 66 GLN : amide:sc=-0.000815 X(o=-0.00081,f=-0.4) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -68:sc= -0.233 USER MOD Single : A 80 CYS SG : rot 110:sc= -0.293 USER MOD Single : A 83 HIS : no HD1:sc= -0.129 K(o=-0.13,f=-0.78) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -0.097 F(o=-0.6,f=-0.097) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 0.131 -9.050 9.501 1.00 0.00 N ATOM 60 CA GLY A 7 0.608 -8.043 8.569 1.00 0.00 C ATOM 61 C GLY A 7 0.982 -6.752 9.300 1.00 0.00 C ATOM 62 O GLY A 7 1.376 -6.786 10.465 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.475 -8.424 8.029 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.163 -7.835 7.827 1.00 0.00 H new ATOM 66 N VAL A 8 0.845 -5.644 8.586 1.00 0.00 N ATOM 67 CA VAL A 8 1.164 -4.345 9.153 1.00 0.00 C ATOM 68 C VAL A 8 0.083 -3.339 8.750 1.00 0.00 C ATOM 69 O VAL A 8 -0.308 -3.276 7.586 1.00 0.00 O ATOM 70 CB VAL A 8 2.569 -3.917 8.724 1.00 0.00 C ATOM 71 CG1 VAL A 8 3.612 -4.345 9.758 1.00 0.00 C ATOM 72 CG2 VAL A 8 2.911 -4.469 7.339 1.00 0.00 C ATOM 0 H VAL A 8 0.518 -5.619 7.620 1.00 0.00 H new ATOM 0 HA VAL A 8 1.173 -4.395 10.242 1.00 0.00 H new ATOM 0 HB VAL A 8 2.584 -2.829 8.664 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.602 -4.029 9.429 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.384 -3.882 10.718 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.595 -5.430 9.865 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.915 -4.150 7.058 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.869 -5.558 7.361 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.193 -4.093 6.610 1.00 0.00 H new ATOM 82 N MET A 9 -0.367 -2.577 9.736 1.00 0.00 N ATOM 83 CA MET A 9 -1.395 -1.577 9.499 1.00 0.00 C ATOM 84 C MET A 9 -0.789 -0.292 8.932 1.00 0.00 C ATOM 85 O MET A 9 0.034 0.351 9.583 1.00 0.00 O ATOM 86 CB MET A 9 -2.117 -1.265 10.811 1.00 0.00 C ATOM 87 CG MET A 9 -3.293 -2.218 11.030 1.00 0.00 C ATOM 88 SD MET A 9 -3.388 -2.687 12.750 1.00 0.00 S ATOM 89 CE MET A 9 -4.282 -4.225 12.603 1.00 0.00 C ATOM 0 H MET A 9 -0.039 -2.632 10.700 1.00 0.00 H new ATOM 0 HA MET A 9 -2.102 -1.976 8.771 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.418 -1.347 11.643 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.476 -0.236 10.797 1.00 0.00 H new ATOM 0 HG2 MET A 9 -4.222 -1.738 10.724 1.00 0.00 H new ATOM 0 HG3 MET A 9 -3.173 -3.106 10.409 1.00 0.00 H new ATOM 0 HE1 MET A 9 -4.429 -4.656 13.593 1.00 0.00 H new ATOM 0 HE2 MET A 9 -5.251 -4.040 12.140 1.00 0.00 H new ATOM 0 HE3 MET A 9 -3.712 -4.919 11.986 1.00 0.00 H new ATOM 99 N VAL A 10 -1.218 0.045 7.724 1.00 0.00 N ATOM 100 CA VAL A 10 -0.728 1.241 7.062 1.00 0.00 C ATOM 101 C VAL A 10 -1.917 2.088 6.602 1.00 0.00 C ATOM 102 O VAL A 10 -2.983 1.554 6.299 1.00 0.00 O ATOM 103 CB VAL A 10 0.212 0.858 5.917 1.00 0.00 C ATOM 104 CG1 VAL A 10 1.400 0.044 6.432 1.00 0.00 C ATOM 105 CG2 VAL A 10 -0.540 0.099 4.822 1.00 0.00 C ATOM 0 H VAL A 10 -1.900 -0.490 7.187 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.145 1.848 7.754 1.00 0.00 H new ATOM 0 HB VAL A 10 0.601 1.778 5.480 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.052 -0.215 5.598 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.958 0.634 7.159 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.038 -0.868 6.906 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.151 -0.162 4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.971 -0.811 5.240 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.337 0.728 4.425 1.00 0.00 H new ATOM 115 N PHE A 11 -1.693 3.393 6.564 1.00 0.00 N ATOM 116 CA PHE A 11 -2.733 4.319 6.147 1.00 0.00 C ATOM 117 C PHE A 11 -2.648 4.597 4.645 1.00 0.00 C ATOM 118 O PHE A 11 -1.790 5.358 4.198 1.00 0.00 O ATOM 119 CB PHE A 11 -2.502 5.625 6.909 1.00 0.00 C ATOM 120 CG PHE A 11 -3.106 5.640 8.315 1.00 0.00 C ATOM 121 CD1 PHE A 11 -2.466 5.010 9.337 1.00 0.00 C ATOM 122 CD2 PHE A 11 -4.282 6.283 8.543 1.00 0.00 C ATOM 123 CE1 PHE A 11 -3.027 5.023 10.641 1.00 0.00 C ATOM 124 CE2 PHE A 11 -4.843 6.296 9.848 1.00 0.00 C ATOM 125 CZ PHE A 11 -4.203 5.666 10.869 1.00 0.00 C ATOM 0 H PHE A 11 -0.807 3.831 6.815 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.715 3.895 6.357 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.430 5.806 6.983 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.925 6.449 6.334 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.531 4.500 9.156 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.790 6.784 7.732 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -2.520 4.522 11.452 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.778 6.806 10.029 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.629 5.676 11.861 1.00 0.00 H new ATOM 135 N ILE A 12 -3.549 3.966 3.906 1.00 0.00 N ATOM 136 CA ILE A 12 -3.587 4.136 2.464 1.00 0.00 C ATOM 137 C ILE A 12 -4.390 5.393 2.124 1.00 0.00 C ATOM 138 O ILE A 12 -5.424 5.657 2.735 1.00 0.00 O ATOM 139 CB ILE A 12 -4.113 2.868 1.788 1.00 0.00 C ATOM 140 CG1 ILE A 12 -3.423 1.622 2.347 1.00 0.00 C ATOM 141 CG2 ILE A 12 -3.981 2.963 0.267 1.00 0.00 C ATOM 142 CD1 ILE A 12 -2.047 1.424 1.708 1.00 0.00 C ATOM 0 H ILE A 12 -4.259 3.336 4.280 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.581 4.284 2.071 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.175 2.776 2.014 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.316 1.715 3.428 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.043 0.745 2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.362 2.049 -0.189 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.555 3.816 -0.095 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.932 3.092 0.000 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.578 0.532 2.123 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.160 1.307 0.630 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.421 2.292 1.915 1.00 0.00 H new ATOM 154 N SER A 13 -3.883 6.135 1.150 1.00 0.00 N ATOM 155 CA SER A 13 -4.541 7.358 0.721 1.00 0.00 C ATOM 156 C SER A 13 -4.603 7.410 -0.807 1.00 0.00 C ATOM 157 O SER A 13 -4.124 6.502 -1.483 1.00 0.00 O ATOM 158 CB SER A 13 -3.819 8.592 1.266 1.00 0.00 C ATOM 159 OG SER A 13 -4.654 9.746 1.257 1.00 0.00 O ATOM 0 H SER A 13 -3.025 5.913 0.646 1.00 0.00 H new ATOM 0 HA SER A 13 -5.556 7.359 1.120 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.483 8.395 2.284 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.928 8.784 0.668 1.00 0.00 H new ATOM 0 HG SER A 13 -4.157 10.512 1.614 1.00 0.00 H new ATOM 165 N SER A 14 -5.199 8.484 -1.306 1.00 0.00 N ATOM 166 CA SER A 14 -5.330 8.667 -2.742 1.00 0.00 C ATOM 167 C SER A 14 -5.906 10.052 -3.042 1.00 0.00 C ATOM 168 O SER A 14 -6.876 10.474 -2.414 1.00 0.00 O ATOM 169 CB SER A 14 -6.214 7.580 -3.357 1.00 0.00 C ATOM 170 OG SER A 14 -7.482 7.496 -2.714 1.00 0.00 O ATOM 0 H SER A 14 -5.596 9.235 -0.742 1.00 0.00 H new ATOM 0 HA SER A 14 -4.339 8.588 -3.189 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.358 7.787 -4.417 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.707 6.618 -3.286 1.00 0.00 H new ATOM 0 HG SER A 14 -8.120 7.045 -3.306 1.00 0.00 H new ATOM 176 N SER A 15 -5.284 10.721 -4.002 1.00 0.00 N ATOM 177 CA SER A 15 -5.722 12.050 -4.393 1.00 0.00 C ATOM 178 C SER A 15 -7.226 12.043 -4.673 1.00 0.00 C ATOM 179 O SER A 15 -7.882 13.081 -4.590 1.00 0.00 O ATOM 180 CB SER A 15 -4.956 12.544 -5.621 1.00 0.00 C ATOM 181 OG SER A 15 -4.862 13.965 -5.657 1.00 0.00 O ATOM 0 H SER A 15 -4.480 10.367 -4.521 1.00 0.00 H new ATOM 0 HA SER A 15 -5.515 12.734 -3.570 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.954 12.115 -5.620 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.453 12.191 -6.524 1.00 0.00 H new ATOM 0 HG SER A 15 -4.365 14.240 -6.455 1.00 0.00 H new ATOM 187 N LEU A 16 -7.730 10.862 -5.000 1.00 0.00 N ATOM 188 CA LEU A 16 -9.144 10.706 -5.294 1.00 0.00 C ATOM 189 C LEU A 16 -9.947 10.833 -3.997 1.00 0.00 C ATOM 190 O LEU A 16 -10.924 11.578 -3.938 1.00 0.00 O ATOM 191 CB LEU A 16 -9.395 9.398 -6.046 1.00 0.00 C ATOM 192 CG LEU A 16 -8.405 9.068 -7.165 1.00 0.00 C ATOM 193 CD1 LEU A 16 -7.977 7.600 -7.103 1.00 0.00 C ATOM 194 CD2 LEU A 16 -8.979 9.439 -8.533 1.00 0.00 C ATOM 0 H LEU A 16 -7.183 10.003 -5.068 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.484 11.499 -5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.385 8.580 -5.326 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.397 9.434 -6.473 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.510 9.672 -7.017 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.273 7.392 -7.909 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.499 7.400 -6.144 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.853 6.961 -7.212 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.255 9.194 -9.310 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.899 8.880 -8.705 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.193 10.507 -8.560 1.00 0.00 H new ATOM 206 N ASN A 17 -9.504 10.095 -2.990 1.00 0.00 N ATOM 207 CA ASN A 17 -10.168 10.115 -1.698 1.00 0.00 C ATOM 208 C ASN A 17 -9.720 11.353 -0.918 1.00 0.00 C ATOM 209 O ASN A 17 -8.561 11.757 -1.002 1.00 0.00 O ATOM 210 CB ASN A 17 -9.806 8.879 -0.873 1.00 0.00 C ATOM 211 CG ASN A 17 -10.956 7.870 -0.862 1.00 0.00 C ATOM 212 OD1 ASN A 17 -11.535 7.561 0.167 1.00 0.00 O ATOM 213 ND2 ASN A 17 -11.254 7.377 -2.060 1.00 0.00 N ATOM 0 H ASN A 17 -8.693 9.479 -3.043 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.244 10.129 -1.872 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.912 8.412 -1.285 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.569 9.176 0.148 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.008 6.697 -2.159 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.729 7.679 -2.881 1.00 0.00 H new ATOM 220 N SER A 18 -10.661 11.919 -0.178 1.00 0.00 N ATOM 221 CA SER A 18 -10.377 13.103 0.617 1.00 0.00 C ATOM 222 C SER A 18 -9.434 12.746 1.768 1.00 0.00 C ATOM 223 O SER A 18 -8.341 13.300 1.874 1.00 0.00 O ATOM 224 CB SER A 18 -11.665 13.724 1.159 1.00 0.00 C ATOM 225 OG SER A 18 -11.762 15.111 0.844 1.00 0.00 O ATOM 0 H SER A 18 -11.621 11.581 -0.111 1.00 0.00 H new ATOM 0 HA SER A 18 -9.894 13.839 -0.025 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.524 13.197 0.744 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.703 13.594 2.241 1.00 0.00 H new ATOM 0 HG SER A 18 -12.599 15.471 1.206 1.00 0.00 H new ATOM 231 N PHE A 19 -9.892 11.823 2.601 1.00 0.00 N ATOM 232 CA PHE A 19 -9.103 11.387 3.741 1.00 0.00 C ATOM 233 C PHE A 19 -8.431 10.041 3.459 1.00 0.00 C ATOM 234 O PHE A 19 -8.693 9.415 2.433 1.00 0.00 O ATOM 235 CB PHE A 19 -10.068 11.225 4.917 1.00 0.00 C ATOM 236 CG PHE A 19 -9.455 11.570 6.276 1.00 0.00 C ATOM 237 CD1 PHE A 19 -9.410 12.863 6.693 1.00 0.00 C ATOM 238 CD2 PHE A 19 -8.957 10.582 7.067 1.00 0.00 C ATOM 239 CE1 PHE A 19 -8.841 13.183 7.954 1.00 0.00 C ATOM 240 CE2 PHE A 19 -8.388 10.902 8.328 1.00 0.00 C ATOM 241 CZ PHE A 19 -8.342 12.196 8.745 1.00 0.00 C ATOM 0 H PHE A 19 -10.799 11.365 2.509 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.321 12.116 3.954 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.938 11.860 4.750 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.425 10.195 4.942 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.807 13.647 6.065 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -8.994 9.555 6.736 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.805 14.210 8.285 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -7.992 10.118 8.956 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.909 12.439 9.704 1.00 0.00 H new ATOM 251 N ARG A 20 -7.577 9.636 4.388 1.00 0.00 N ATOM 252 CA ARG A 20 -6.866 8.377 4.252 1.00 0.00 C ATOM 253 C ARG A 20 -7.748 7.216 4.718 1.00 0.00 C ATOM 254 O ARG A 20 -8.688 7.416 5.486 1.00 0.00 O ATOM 255 CB ARG A 20 -5.572 8.384 5.069 1.00 0.00 C ATOM 256 CG ARG A 20 -4.577 9.403 4.509 1.00 0.00 C ATOM 257 CD ARG A 20 -4.255 10.482 5.546 1.00 0.00 C ATOM 258 NE ARG A 20 -5.167 11.635 5.376 1.00 0.00 N ATOM 259 CZ ARG A 20 -5.262 12.652 6.243 1.00 0.00 C ATOM 260 NH1 ARG A 20 -4.502 12.664 7.347 1.00 0.00 N ATOM 261 NH2 ARG A 20 -6.117 13.657 6.007 1.00 0.00 N ATOM 0 H ARG A 20 -7.362 10.158 5.238 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.617 8.249 3.199 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.795 8.622 6.109 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.125 7.390 5.058 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.660 8.895 4.211 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.991 9.866 3.613 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.356 10.073 6.551 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.220 10.807 5.436 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.761 11.657 4.547 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.852 11.899 7.527 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.574 13.438 8.007 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.696 13.648 5.167 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.189 14.431 6.667 1.00 0.00 H new ATOM 275 N SER A 21 -7.413 6.029 4.234 1.00 0.00 N ATOM 276 CA SER A 21 -8.163 4.837 4.591 1.00 0.00 C ATOM 277 C SER A 21 -7.359 3.990 5.580 1.00 0.00 C ATOM 278 O SER A 21 -6.189 4.270 5.835 1.00 0.00 O ATOM 279 CB SER A 21 -8.512 4.013 3.350 1.00 0.00 C ATOM 280 OG SER A 21 -9.774 4.383 2.802 1.00 0.00 O ATOM 0 H SER A 21 -6.632 5.867 3.598 1.00 0.00 H new ATOM 0 HA SER A 21 -9.096 5.148 5.062 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.736 4.146 2.596 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.526 2.954 3.610 1.00 0.00 H new ATOM 0 HG SER A 21 -9.960 3.836 2.011 1.00 0.00 H new ATOM 286 N GLU A 22 -8.020 2.972 6.112 1.00 0.00 N ATOM 287 CA GLU A 22 -7.382 2.083 7.068 1.00 0.00 C ATOM 288 C GLU A 22 -7.442 0.638 6.570 1.00 0.00 C ATOM 289 O GLU A 22 -8.465 -0.029 6.711 1.00 0.00 O ATOM 290 CB GLU A 22 -8.023 2.214 8.451 1.00 0.00 C ATOM 291 CG GLU A 22 -7.251 1.402 9.492 1.00 0.00 C ATOM 292 CD GLU A 22 -7.882 1.547 10.879 1.00 0.00 C ATOM 293 OE1 GLU A 22 -8.277 2.686 11.206 1.00 0.00 O ATOM 294 OE2 GLU A 22 -7.955 0.515 11.580 1.00 0.00 O ATOM 0 H GLU A 22 -8.991 2.743 5.899 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.335 2.372 7.161 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.046 3.263 8.747 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.057 1.871 8.411 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.238 0.351 9.202 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.214 1.737 9.523 1.00 0.00 H new ATOM 301 N LYS A 23 -6.331 0.196 5.998 1.00 0.00 N ATOM 302 CA LYS A 23 -6.244 -1.158 5.479 1.00 0.00 C ATOM 303 C LYS A 23 -5.039 -1.863 6.104 1.00 0.00 C ATOM 304 O LYS A 23 -4.294 -1.260 6.876 1.00 0.00 O ATOM 305 CB LYS A 23 -6.223 -1.145 3.949 1.00 0.00 C ATOM 306 CG LYS A 23 -7.632 -0.963 3.383 1.00 0.00 C ATOM 307 CD LYS A 23 -8.157 -2.272 2.788 1.00 0.00 C ATOM 308 CE LYS A 23 -9.104 -2.001 1.617 1.00 0.00 C ATOM 309 NZ LYS A 23 -10.349 -2.787 1.765 1.00 0.00 N ATOM 0 H LYS A 23 -5.484 0.752 5.883 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.129 -1.730 5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.579 -0.339 3.597 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.797 -2.078 3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.303 -0.623 4.171 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.623 -0.189 2.616 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.320 -2.883 2.450 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.678 -2.842 3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.341 -0.938 1.572 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.614 -2.258 0.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.981 -2.591 0.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.119 -3.801 1.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.824 -2.522 2.651 1.00 0.00 H new ATOM 323 N ARG A 24 -4.884 -3.130 5.748 1.00 0.00 N ATOM 324 CA ARG A 24 -3.782 -3.923 6.265 1.00 0.00 C ATOM 325 C ARG A 24 -3.186 -4.791 5.154 1.00 0.00 C ATOM 326 O ARG A 24 -3.901 -5.234 4.257 1.00 0.00 O ATOM 327 CB ARG A 24 -4.242 -4.823 7.413 1.00 0.00 C ATOM 328 CG ARG A 24 -3.163 -5.846 7.774 1.00 0.00 C ATOM 329 CD ARG A 24 -3.651 -6.792 8.874 1.00 0.00 C ATOM 330 NE ARG A 24 -3.542 -8.196 8.420 1.00 0.00 N ATOM 331 CZ ARG A 24 -4.227 -9.215 8.957 1.00 0.00 C ATOM 332 NH1 ARG A 24 -5.074 -8.992 9.970 1.00 0.00 N ATOM 333 NH2 ARG A 24 -4.064 -10.456 8.480 1.00 0.00 N ATOM 0 H ARG A 24 -5.503 -3.627 5.108 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.025 -3.234 6.639 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.477 -4.214 8.286 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.158 -5.340 7.129 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.891 -6.421 6.889 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.263 -5.329 8.107 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.060 -6.647 9.778 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.686 -6.563 9.129 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.905 -8.401 7.650 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.198 -8.047 10.333 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.595 -9.767 10.379 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.419 -10.625 7.708 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.585 -11.232 8.888 1.00 0.00 H new ATOM 347 N TYR A 25 -1.882 -5.006 5.251 1.00 0.00 N ATOM 348 CA TYR A 25 -1.182 -5.813 4.266 1.00 0.00 C ATOM 349 C TYR A 25 0.065 -6.459 4.872 1.00 0.00 C ATOM 350 O TYR A 25 0.752 -5.846 5.688 1.00 0.00 O ATOM 351 CB TYR A 25 -0.754 -4.848 3.158 1.00 0.00 C ATOM 352 CG TYR A 25 -1.889 -3.974 2.622 1.00 0.00 C ATOM 353 CD1 TYR A 25 -2.666 -4.419 1.572 1.00 0.00 C ATOM 354 CD2 TYR A 25 -2.137 -2.740 3.189 1.00 0.00 C ATOM 355 CE1 TYR A 25 -3.735 -3.596 1.067 1.00 0.00 C ATOM 356 CE2 TYR A 25 -3.205 -1.917 2.684 1.00 0.00 C ATOM 357 CZ TYR A 25 -3.951 -2.385 1.648 1.00 0.00 C ATOM 358 OH TYR A 25 -4.960 -1.608 1.171 1.00 0.00 O ATOM 0 H TYR A 25 -1.292 -4.636 5.996 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.825 -6.613 3.899 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.039 -4.204 3.538 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.331 -5.422 2.334 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -2.473 -5.385 1.129 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.530 -2.392 4.012 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.351 -3.933 0.246 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.409 -0.949 3.118 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.672 -2.179 0.814 1.00 0.00 H new ATOM 368 N SER A 26 0.320 -7.689 4.451 1.00 0.00 N ATOM 369 CA SER A 26 1.472 -8.425 4.943 1.00 0.00 C ATOM 370 C SER A 26 2.762 -7.782 4.429 1.00 0.00 C ATOM 371 O SER A 26 2.789 -7.229 3.330 1.00 0.00 O ATOM 372 CB SER A 26 1.408 -9.895 4.522 1.00 0.00 C ATOM 373 OG SER A 26 2.516 -10.641 5.016 1.00 0.00 O ATOM 0 H SER A 26 -0.252 -8.195 3.774 1.00 0.00 H new ATOM 0 HA SER A 26 1.463 -8.386 6.032 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.481 -10.337 4.888 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.384 -9.960 3.434 1.00 0.00 H new ATOM 0 HG SER A 26 2.437 -11.574 4.727 1.00 0.00 H new ATOM 379 N ARG A 27 3.799 -7.876 5.247 1.00 0.00 N ATOM 380 CA ARG A 27 5.089 -7.311 4.890 1.00 0.00 C ATOM 381 C ARG A 27 5.752 -8.151 3.796 1.00 0.00 C ATOM 382 O ARG A 27 6.823 -7.801 3.303 1.00 0.00 O ATOM 383 CB ARG A 27 6.017 -7.242 6.104 1.00 0.00 C ATOM 384 CG ARG A 27 5.501 -6.234 7.132 1.00 0.00 C ATOM 385 CD ARG A 27 6.642 -5.708 8.005 1.00 0.00 C ATOM 386 NE ARG A 27 6.310 -5.891 9.436 1.00 0.00 N ATOM 387 CZ ARG A 27 7.154 -5.625 10.443 1.00 0.00 C ATOM 388 NH1 ARG A 27 8.384 -5.162 10.182 1.00 0.00 N ATOM 389 NH2 ARG A 27 6.767 -5.822 11.711 1.00 0.00 N ATOM 0 H ARG A 27 3.772 -8.336 6.157 1.00 0.00 H new ATOM 0 HA ARG A 27 4.917 -6.299 4.522 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.095 -8.228 6.563 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.020 -6.959 5.784 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.017 -5.402 6.620 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.745 -6.705 7.760 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.566 -6.235 7.767 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.815 -4.652 7.795 1.00 0.00 H new ATOM 0 HE ARG A 27 5.381 -6.241 9.670 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.678 -5.012 9.217 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.026 -4.960 10.948 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.831 -6.174 11.910 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.409 -5.620 12.477 1.00 0.00 H new ATOM 403 N SER A 28 5.088 -9.244 3.450 1.00 0.00 N ATOM 404 CA SER A 28 5.600 -10.137 2.424 1.00 0.00 C ATOM 405 C SER A 28 4.956 -9.808 1.076 1.00 0.00 C ATOM 406 O SER A 28 5.329 -10.377 0.051 1.00 0.00 O ATOM 407 CB SER A 28 5.345 -11.600 2.791 1.00 0.00 C ATOM 408 OG SER A 28 6.558 -12.336 2.927 1.00 0.00 O ATOM 0 H SER A 28 4.200 -9.532 3.862 1.00 0.00 H new ATOM 0 HA SER A 28 6.678 -9.992 2.350 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.786 -11.647 3.725 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.724 -12.063 2.024 1.00 0.00 H new ATOM 0 HG SER A 28 6.352 -13.265 3.163 1.00 0.00 H new ATOM 414 N LEU A 29 4.001 -8.891 1.120 1.00 0.00 N ATOM 415 CA LEU A 29 3.303 -8.480 -0.086 1.00 0.00 C ATOM 416 C LEU A 29 4.237 -7.626 -0.946 1.00 0.00 C ATOM 417 O LEU A 29 4.512 -6.474 -0.614 1.00 0.00 O ATOM 418 CB LEU A 29 1.987 -7.785 0.268 1.00 0.00 C ATOM 419 CG LEU A 29 0.735 -8.664 0.242 1.00 0.00 C ATOM 420 CD1 LEU A 29 -0.533 -7.818 0.366 1.00 0.00 C ATOM 421 CD2 LEU A 29 0.713 -9.550 -1.006 1.00 0.00 C ATOM 0 H LEU A 29 3.694 -8.421 1.972 1.00 0.00 H new ATOM 0 HA LEU A 29 3.028 -9.350 -0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.083 -7.354 1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.839 -6.956 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 29 0.765 -9.326 1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.408 -8.468 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.513 -7.268 1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.584 -7.114 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.187 -10.165 -1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.718 -8.923 -1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.592 -10.194 -1.010 1.00 0.00 H new ATOM 433 N THR A 30 4.701 -8.224 -2.033 1.00 0.00 N ATOM 434 CA THR A 30 5.599 -7.533 -2.943 1.00 0.00 C ATOM 435 C THR A 30 4.964 -6.230 -3.431 1.00 0.00 C ATOM 436 O THR A 30 3.780 -6.199 -3.766 1.00 0.00 O ATOM 437 CB THR A 30 5.957 -8.497 -4.076 1.00 0.00 C ATOM 438 OG1 THR A 30 4.734 -9.170 -4.359 1.00 0.00 O ATOM 439 CG2 THR A 30 6.900 -9.612 -3.620 1.00 0.00 C ATOM 0 H THR A 30 4.472 -9.180 -2.304 1.00 0.00 H new ATOM 0 HA THR A 30 6.522 -7.240 -2.442 1.00 0.00 H new ATOM 0 HB THR A 30 6.420 -7.942 -4.892 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.850 -10.133 -4.218 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.122 -10.268 -4.462 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.826 -9.175 -3.246 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.425 -10.189 -2.827 1.00 0.00 H new ATOM 447 N ILE A 31 5.778 -5.185 -3.456 1.00 0.00 N ATOM 448 CA ILE A 31 5.311 -3.882 -3.898 1.00 0.00 C ATOM 449 C ILE A 31 4.331 -4.064 -5.059 1.00 0.00 C ATOM 450 O ILE A 31 3.244 -3.489 -5.054 1.00 0.00 O ATOM 451 CB ILE A 31 6.496 -2.973 -4.230 1.00 0.00 C ATOM 452 CG1 ILE A 31 7.409 -2.797 -3.015 1.00 0.00 C ATOM 453 CG2 ILE A 31 6.017 -1.630 -4.786 1.00 0.00 C ATOM 454 CD1 ILE A 31 6.612 -2.344 -1.790 1.00 0.00 C ATOM 0 H ILE A 31 6.759 -5.214 -3.177 1.00 0.00 H new ATOM 0 HA ILE A 31 4.768 -3.379 -3.098 1.00 0.00 H new ATOM 0 HB ILE A 31 7.087 -3.453 -5.010 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.915 -3.738 -2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.183 -2.064 -3.241 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.879 -1.002 -5.014 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.440 -1.798 -5.695 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.391 -1.132 -4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.285 -2.227 -0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.127 -1.391 -2.003 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.855 -3.091 -1.552 1.00 0.00 H new ATOM 466 N ALA A 32 4.751 -4.865 -6.027 1.00 0.00 N ATOM 467 CA ALA A 32 3.924 -5.129 -7.192 1.00 0.00 C ATOM 468 C ALA A 32 2.569 -5.673 -6.737 1.00 0.00 C ATOM 469 O ALA A 32 1.524 -5.155 -7.130 1.00 0.00 O ATOM 470 CB ALA A 32 4.655 -6.094 -8.129 1.00 0.00 C ATOM 0 H ALA A 32 5.654 -5.340 -6.028 1.00 0.00 H new ATOM 0 HA ALA A 32 3.740 -4.210 -7.749 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.035 -6.292 -9.003 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.598 -5.649 -8.447 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.854 -7.029 -7.605 1.00 0.00 H new ATOM 476 N GLU A 33 2.629 -6.710 -5.914 1.00 0.00 N ATOM 477 CA GLU A 33 1.418 -7.329 -5.401 1.00 0.00 C ATOM 478 C GLU A 33 0.626 -6.328 -4.558 1.00 0.00 C ATOM 479 O GLU A 33 -0.580 -6.171 -4.744 1.00 0.00 O ATOM 480 CB GLU A 33 1.746 -8.588 -4.595 1.00 0.00 C ATOM 481 CG GLU A 33 2.077 -9.761 -5.519 1.00 0.00 C ATOM 482 CD GLU A 33 0.876 -10.698 -5.667 1.00 0.00 C ATOM 483 OE1 GLU A 33 -0.257 -10.171 -5.675 1.00 0.00 O ATOM 484 OE2 GLU A 33 1.119 -11.920 -5.767 1.00 0.00 O ATOM 0 H GLU A 33 3.497 -7.137 -5.590 1.00 0.00 H new ATOM 0 HA GLU A 33 0.800 -7.630 -6.247 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.591 -8.391 -3.935 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.899 -8.848 -3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.372 -9.385 -6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.927 -10.314 -5.120 1.00 0.00 H new ATOM 491 N PHE A 34 1.336 -5.677 -3.648 1.00 0.00 N ATOM 492 CA PHE A 34 0.714 -4.696 -2.775 1.00 0.00 C ATOM 493 C PHE A 34 -0.236 -3.788 -3.560 1.00 0.00 C ATOM 494 O PHE A 34 -1.363 -3.544 -3.131 1.00 0.00 O ATOM 495 CB PHE A 34 1.840 -3.846 -2.184 1.00 0.00 C ATOM 496 CG PHE A 34 1.358 -2.748 -1.234 1.00 0.00 C ATOM 497 CD1 PHE A 34 0.079 -2.764 -0.769 1.00 0.00 C ATOM 498 CD2 PHE A 34 2.207 -1.756 -0.853 1.00 0.00 C ATOM 499 CE1 PHE A 34 -0.368 -1.745 0.113 1.00 0.00 C ATOM 500 CE2 PHE A 34 1.759 -0.737 0.029 1.00 0.00 C ATOM 501 CZ PHE A 34 0.481 -0.753 0.493 1.00 0.00 C ATOM 0 H PHE A 34 2.336 -5.810 -3.496 1.00 0.00 H new ATOM 0 HA PHE A 34 0.135 -5.200 -2.001 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.531 -4.498 -1.649 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.401 -3.387 -2.998 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.596 -3.551 -1.071 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.222 -1.743 -1.221 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.383 -1.758 0.482 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.433 0.051 0.331 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.140 0.022 1.163 1.00 0.00 H new ATOM 511 N LYS A 35 0.254 -3.313 -4.695 1.00 0.00 N ATOM 512 CA LYS A 35 -0.537 -2.438 -5.544 1.00 0.00 C ATOM 513 C LYS A 35 -1.791 -3.182 -6.008 1.00 0.00 C ATOM 514 O LYS A 35 -2.895 -2.645 -5.943 1.00 0.00 O ATOM 515 CB LYS A 35 0.315 -1.892 -6.692 1.00 0.00 C ATOM 516 CG LYS A 35 1.599 -1.248 -6.164 1.00 0.00 C ATOM 517 CD LYS A 35 2.748 -1.421 -7.160 1.00 0.00 C ATOM 518 CE LYS A 35 3.497 -0.103 -7.365 1.00 0.00 C ATOM 519 NZ LYS A 35 3.039 0.566 -8.604 1.00 0.00 N ATOM 0 H LYS A 35 1.189 -3.517 -5.047 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.873 -1.565 -4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.565 -2.700 -7.380 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.258 -1.158 -7.258 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.429 -0.187 -5.980 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.870 -1.698 -5.209 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.438 -2.183 -6.797 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.357 -1.774 -8.114 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.334 0.552 -6.509 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.569 -0.292 -7.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.918 1.583 -8.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.746 0.428 -9.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.131 0.157 -8.904 1.00 0.00 H new ATOM 533 N CYS A 36 -1.578 -4.406 -6.467 1.00 0.00 N ATOM 534 CA CYS A 36 -2.677 -5.229 -6.942 1.00 0.00 C ATOM 535 C CYS A 36 -3.852 -5.065 -5.977 1.00 0.00 C ATOM 536 O CYS A 36 -5.010 -5.176 -6.377 1.00 0.00 O ATOM 537 CB CYS A 36 -2.263 -6.695 -7.093 1.00 0.00 C ATOM 538 SG CYS A 36 -2.879 -7.359 -8.682 1.00 0.00 S ATOM 0 H CYS A 36 -0.660 -4.848 -6.520 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.976 -4.900 -7.937 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.177 -6.781 -7.050 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.662 -7.281 -6.265 1.00 0.00 H new ATOM 0 HG CYS A 36 -3.230 -6.376 -9.456 1.00 0.00 H new ATOM 544 N LYS A 37 -3.514 -4.802 -4.723 1.00 0.00 N ATOM 545 CA LYS A 37 -4.527 -4.621 -3.697 1.00 0.00 C ATOM 546 C LYS A 37 -5.134 -3.223 -3.826 1.00 0.00 C ATOM 547 O LYS A 37 -6.346 -3.079 -3.976 1.00 0.00 O ATOM 548 CB LYS A 37 -3.946 -4.914 -2.312 1.00 0.00 C ATOM 549 CG LYS A 37 -3.078 -6.174 -2.337 1.00 0.00 C ATOM 550 CD LYS A 37 -3.682 -7.273 -1.460 1.00 0.00 C ATOM 551 CE LYS A 37 -3.406 -8.658 -2.049 1.00 0.00 C ATOM 552 NZ LYS A 37 -4.358 -9.651 -1.505 1.00 0.00 N ATOM 0 H LYS A 37 -2.553 -4.710 -4.394 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.339 -5.335 -3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.351 -4.065 -1.976 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.756 -5.040 -1.593 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.981 -6.533 -3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.074 -5.935 -1.987 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.265 -7.212 -0.455 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.757 -7.120 -1.369 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.491 -8.621 -3.135 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.384 -8.961 -1.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.157 -10.585 -1.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.258 -9.698 -0.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.330 -9.369 -1.746 1.00 0.00 H new ATOM 566 N LEU A 38 -4.262 -2.227 -3.764 1.00 0.00 N ATOM 567 CA LEU A 38 -4.697 -0.844 -3.872 1.00 0.00 C ATOM 568 C LEU A 38 -5.637 -0.702 -5.071 1.00 0.00 C ATOM 569 O LEU A 38 -6.493 0.181 -5.091 1.00 0.00 O ATOM 570 CB LEU A 38 -3.490 0.094 -3.922 1.00 0.00 C ATOM 571 CG LEU A 38 -2.365 -0.205 -2.928 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.372 0.956 -2.858 1.00 0.00 C ATOM 573 CD2 LEU A 38 -2.930 -0.561 -1.552 1.00 0.00 C ATOM 0 H LEU A 38 -3.257 -2.350 -3.640 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.262 -0.552 -2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.075 0.066 -4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.839 1.112 -3.750 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.816 -1.076 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.583 0.718 -2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.934 1.120 -3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.891 1.859 -2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.110 -0.769 -0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.518 0.275 -1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.565 -1.443 -1.636 1.00 0.00 H new ATOM 585 N GLU A 39 -5.445 -1.584 -6.040 1.00 0.00 N ATOM 586 CA GLU A 39 -6.265 -1.568 -7.240 1.00 0.00 C ATOM 587 C GLU A 39 -7.749 -1.550 -6.868 1.00 0.00 C ATOM 588 O GLU A 39 -8.569 -0.995 -7.598 1.00 0.00 O ATOM 589 CB GLU A 39 -5.941 -2.761 -8.142 1.00 0.00 C ATOM 590 CG GLU A 39 -4.533 -2.638 -8.727 1.00 0.00 C ATOM 591 CD GLU A 39 -4.392 -3.478 -9.998 1.00 0.00 C ATOM 592 OE1 GLU A 39 -5.162 -3.207 -10.946 1.00 0.00 O ATOM 593 OE2 GLU A 39 -3.519 -4.373 -9.994 1.00 0.00 O ATOM 0 H GLU A 39 -4.734 -2.315 -6.019 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.039 -0.660 -7.799 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.022 -3.686 -7.571 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.671 -2.820 -8.950 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.319 -1.593 -8.952 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.799 -2.962 -7.989 1.00 0.00 H new ATOM 600 N LEU A 40 -8.050 -2.162 -5.732 1.00 0.00 N ATOM 601 CA LEU A 40 -9.421 -2.223 -5.255 1.00 0.00 C ATOM 602 C LEU A 40 -9.678 -1.051 -4.306 1.00 0.00 C ATOM 603 O LEU A 40 -10.824 -0.652 -4.102 1.00 0.00 O ATOM 604 CB LEU A 40 -9.712 -3.591 -4.635 1.00 0.00 C ATOM 605 CG LEU A 40 -9.622 -4.790 -5.582 1.00 0.00 C ATOM 606 CD1 LEU A 40 -9.638 -6.106 -4.803 1.00 0.00 C ATOM 607 CD2 LEU A 40 -10.726 -4.736 -6.640 1.00 0.00 C ATOM 0 H LEU A 40 -7.368 -2.620 -5.128 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.119 -2.120 -6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.015 -3.750 -3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.713 -3.567 -4.205 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.669 -4.740 -6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.573 -6.942 -5.500 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.788 -6.135 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.564 -6.180 -4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.640 -5.599 -7.300 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.700 -4.749 -6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.626 -3.821 -7.224 1.00 0.00 H new ATOM 619 N VAL A 41 -8.593 -0.531 -3.750 1.00 0.00 N ATOM 620 CA VAL A 41 -8.687 0.587 -2.828 1.00 0.00 C ATOM 621 C VAL A 41 -8.979 1.867 -3.613 1.00 0.00 C ATOM 622 O VAL A 41 -9.985 2.532 -3.372 1.00 0.00 O ATOM 623 CB VAL A 41 -7.413 0.679 -1.986 1.00 0.00 C ATOM 624 CG1 VAL A 41 -7.477 1.867 -1.023 1.00 0.00 C ATOM 625 CG2 VAL A 41 -7.159 -0.626 -1.230 1.00 0.00 C ATOM 0 H VAL A 41 -7.644 -0.864 -3.921 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.511 0.439 -2.131 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.575 0.841 -2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.559 1.910 -0.436 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.588 2.791 -1.591 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.330 1.748 -0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.247 -0.533 -0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.000 -0.833 -0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.048 -1.444 -1.942 1.00 0.00 H new ATOM 635 N VAL A 42 -8.080 2.174 -4.538 1.00 0.00 N ATOM 636 CA VAL A 42 -8.229 3.363 -5.360 1.00 0.00 C ATOM 637 C VAL A 42 -9.125 3.040 -6.557 1.00 0.00 C ATOM 638 O VAL A 42 -9.629 3.945 -7.221 1.00 0.00 O ATOM 639 CB VAL A 42 -6.852 3.891 -5.769 1.00 0.00 C ATOM 640 CG1 VAL A 42 -6.223 4.711 -4.640 1.00 0.00 C ATOM 641 CG2 VAL A 42 -5.930 2.747 -6.195 1.00 0.00 C ATOM 0 H VAL A 42 -7.247 1.620 -4.736 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.714 4.160 -4.796 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.987 4.549 -6.627 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.245 5.075 -4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.867 5.558 -4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.109 4.085 -3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.958 3.150 -6.481 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.805 2.052 -5.365 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.369 2.223 -7.044 1.00 0.00 H new ATOM 651 N GLY A 43 -9.296 1.749 -6.797 1.00 0.00 N ATOM 652 CA GLY A 43 -10.122 1.296 -7.903 1.00 0.00 C ATOM 653 C GLY A 43 -9.426 1.539 -9.244 1.00 0.00 C ATOM 654 O GLY A 43 -10.014 1.319 -10.302 1.00 0.00 O ATOM 0 H GLY A 43 -8.876 1.002 -6.244 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.338 0.234 -7.789 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.078 1.819 -7.886 1.00 0.00 H new ATOM 658 N SER A 44 -8.183 1.988 -9.155 1.00 0.00 N ATOM 659 CA SER A 44 -7.400 2.263 -10.348 1.00 0.00 C ATOM 660 C SER A 44 -6.380 1.145 -10.574 1.00 0.00 C ATOM 661 O SER A 44 -6.237 0.252 -9.740 1.00 0.00 O ATOM 662 CB SER A 44 -6.690 3.614 -10.242 1.00 0.00 C ATOM 663 OG SER A 44 -6.902 4.231 -8.974 1.00 0.00 O ATOM 0 H SER A 44 -7.699 2.168 -8.276 1.00 0.00 H new ATOM 0 HA SER A 44 -8.079 2.305 -11.200 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.621 3.475 -10.403 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.049 4.275 -11.031 1.00 0.00 H new ATOM 0 HG SER A 44 -6.431 5.090 -8.946 1.00 0.00 H new ATOM 669 N PRO A 45 -5.680 1.232 -11.737 1.00 0.00 N ATOM 670 CA PRO A 45 -4.678 0.238 -12.083 1.00 0.00 C ATOM 671 C PRO A 45 -3.403 0.435 -11.260 1.00 0.00 C ATOM 672 O PRO A 45 -2.901 1.552 -11.144 1.00 0.00 O ATOM 673 CB PRO A 45 -4.453 0.410 -13.576 1.00 0.00 C ATOM 674 CG PRO A 45 -4.987 1.791 -13.922 1.00 0.00 C ATOM 675 CD PRO A 45 -5.823 2.274 -12.748 1.00 0.00 C ATOM 0 HA PRO A 45 -4.998 -0.779 -11.856 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.395 0.327 -13.824 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.974 -0.363 -14.141 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.165 2.481 -14.115 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.590 1.751 -14.829 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.468 3.236 -12.378 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.866 2.408 -13.034 1.00 0.00 H new ATOM 683 N ALA A 46 -2.917 -0.668 -10.709 1.00 0.00 N ATOM 684 CA ALA A 46 -1.710 -0.630 -9.900 1.00 0.00 C ATOM 685 C ALA A 46 -0.498 -0.420 -10.809 1.00 0.00 C ATOM 686 O ALA A 46 0.566 -0.012 -10.346 1.00 0.00 O ATOM 687 CB ALA A 46 -1.606 -1.917 -9.078 1.00 0.00 C ATOM 0 H ALA A 46 -3.337 -1.593 -10.807 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.744 0.204 -9.199 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.701 -1.889 -8.471 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.476 -2.005 -8.428 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.566 -2.775 -9.749 1.00 0.00 H new ATOM 693 N SER A 47 -0.700 -0.707 -12.087 1.00 0.00 N ATOM 694 CA SER A 47 0.364 -0.554 -13.065 1.00 0.00 C ATOM 695 C SER A 47 0.458 0.906 -13.511 1.00 0.00 C ATOM 696 O SER A 47 1.220 1.233 -14.419 1.00 0.00 O ATOM 697 CB SER A 47 0.136 -1.465 -14.273 1.00 0.00 C ATOM 698 OG SER A 47 1.329 -2.137 -14.668 1.00 0.00 O ATOM 0 H SER A 47 -1.584 -1.044 -12.468 1.00 0.00 H new ATOM 0 HA SER A 47 1.304 -0.845 -12.597 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.632 -2.201 -14.033 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.240 -0.873 -15.108 1.00 0.00 H new ATOM 0 HG SER A 47 1.141 -2.710 -15.441 1.00 0.00 H new ATOM 704 N CYS A 48 -0.328 1.745 -12.852 1.00 0.00 N ATOM 705 CA CYS A 48 -0.342 3.163 -13.170 1.00 0.00 C ATOM 706 C CYS A 48 -0.115 3.947 -11.876 1.00 0.00 C ATOM 707 O CYS A 48 0.848 4.704 -11.765 1.00 0.00 O ATOM 708 CB CYS A 48 -1.641 3.573 -13.866 1.00 0.00 C ATOM 709 SG CYS A 48 -1.777 2.731 -15.485 1.00 0.00 S ATOM 0 H CYS A 48 -0.959 1.470 -12.100 1.00 0.00 H new ATOM 0 HA CYS A 48 0.458 3.389 -13.875 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.495 3.315 -13.240 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.663 4.654 -14.006 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.885 3.085 -16.066 1.00 0.00 H new ATOM 715 N MET A 49 -1.019 3.739 -10.930 1.00 0.00 N ATOM 716 CA MET A 49 -0.930 4.418 -9.648 1.00 0.00 C ATOM 717 C MET A 49 0.450 4.219 -9.017 1.00 0.00 C ATOM 718 O MET A 49 1.114 3.216 -9.272 1.00 0.00 O ATOM 719 CB MET A 49 -2.005 3.873 -8.705 1.00 0.00 C ATOM 720 CG MET A 49 -1.457 2.727 -7.852 1.00 0.00 C ATOM 721 SD MET A 49 -2.740 2.091 -6.787 1.00 0.00 S ATOM 722 CE MET A 49 -3.703 1.172 -7.977 1.00 0.00 C ATOM 0 H MET A 49 -1.816 3.110 -11.025 1.00 0.00 H new ATOM 0 HA MET A 49 -1.084 5.484 -9.812 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.365 4.673 -8.058 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.859 3.523 -9.285 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.080 1.932 -8.495 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.617 3.078 -7.253 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.735 1.101 -7.633 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.676 1.683 -8.939 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.287 0.170 -8.086 1.00 0.00 H new ATOM 732 N GLU A 50 0.841 5.192 -8.207 1.00 0.00 N ATOM 733 CA GLU A 50 2.129 5.137 -7.538 1.00 0.00 C ATOM 734 C GLU A 50 1.939 5.096 -6.020 1.00 0.00 C ATOM 735 O GLU A 50 0.903 5.519 -5.510 1.00 0.00 O ATOM 736 CB GLU A 50 3.011 6.318 -7.948 1.00 0.00 C ATOM 737 CG GLU A 50 4.437 5.857 -8.255 1.00 0.00 C ATOM 738 CD GLU A 50 4.489 5.068 -9.565 1.00 0.00 C ATOM 739 OE1 GLU A 50 4.053 5.638 -10.588 1.00 0.00 O ATOM 740 OE2 GLU A 50 4.964 3.913 -9.513 1.00 0.00 O ATOM 0 H GLU A 50 0.288 6.023 -7.999 1.00 0.00 H new ATOM 0 HA GLU A 50 2.636 4.223 -7.846 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.586 6.806 -8.825 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.029 7.058 -7.148 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.096 6.722 -8.321 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.806 5.237 -7.438 1.00 0.00 H new ATOM 747 N LEU A 51 2.954 4.582 -5.342 1.00 0.00 N ATOM 748 CA LEU A 51 2.911 4.481 -3.893 1.00 0.00 C ATOM 749 C LEU A 51 3.955 5.423 -3.289 1.00 0.00 C ATOM 750 O LEU A 51 4.952 5.746 -3.933 1.00 0.00 O ATOM 751 CB LEU A 51 3.070 3.024 -3.453 1.00 0.00 C ATOM 752 CG LEU A 51 2.246 1.995 -4.229 1.00 0.00 C ATOM 753 CD1 LEU A 51 2.355 0.610 -3.589 1.00 0.00 C ATOM 754 CD2 LEU A 51 0.792 2.450 -4.369 1.00 0.00 C ATOM 0 H LEU A 51 3.811 4.231 -5.769 1.00 0.00 H new ATOM 0 HA LEU A 51 1.939 4.799 -3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.123 2.753 -3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.804 2.953 -2.398 1.00 0.00 H new ATOM 0 HG LEU A 51 2.657 1.917 -5.236 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.760 -0.103 -4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.398 0.292 -3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.985 0.652 -2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.228 1.701 -4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.353 2.575 -3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.758 3.400 -4.903 1.00 0.00 H new ATOM 766 N GLU A 52 3.689 5.839 -2.059 1.00 0.00 N ATOM 767 CA GLU A 52 4.592 6.737 -1.361 1.00 0.00 C ATOM 768 C GLU A 52 4.615 6.411 0.134 1.00 0.00 C ATOM 769 O GLU A 52 3.576 6.124 0.726 1.00 0.00 O ATOM 770 CB GLU A 52 4.203 8.198 -1.598 1.00 0.00 C ATOM 771 CG GLU A 52 4.604 8.652 -3.003 1.00 0.00 C ATOM 772 CD GLU A 52 4.298 10.137 -3.208 1.00 0.00 C ATOM 773 OE1 GLU A 52 3.099 10.484 -3.136 1.00 0.00 O ATOM 774 OE2 GLU A 52 5.269 10.891 -3.432 1.00 0.00 O ATOM 0 H GLU A 52 2.860 5.570 -1.528 1.00 0.00 H new ATOM 0 HA GLU A 52 5.596 6.593 -1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.128 8.317 -1.467 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.687 8.832 -0.855 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.668 8.472 -3.157 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.069 8.061 -3.746 1.00 0.00 H new ATOM 781 N LEU A 53 5.812 6.467 0.700 1.00 0.00 N ATOM 782 CA LEU A 53 5.984 6.181 2.114 1.00 0.00 C ATOM 783 C LEU A 53 6.268 7.484 2.863 1.00 0.00 C ATOM 784 O LEU A 53 7.402 7.962 2.875 1.00 0.00 O ATOM 785 CB LEU A 53 7.056 5.108 2.317 1.00 0.00 C ATOM 786 CG LEU A 53 7.768 5.119 3.672 1.00 0.00 C ATOM 787 CD1 LEU A 53 6.793 4.795 4.806 1.00 0.00 C ATOM 788 CD2 LEU A 53 8.973 4.177 3.666 1.00 0.00 C ATOM 0 H LEU A 53 6.671 6.706 0.205 1.00 0.00 H new ATOM 0 HA LEU A 53 5.067 5.766 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.594 4.130 2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.806 5.219 1.534 1.00 0.00 H new ATOM 0 HG LEU A 53 8.147 6.125 3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.324 4.809 5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.996 5.538 4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.363 3.806 4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.461 4.204 4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.639 3.161 3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.679 4.494 2.898 1.00 0.00 H new ATOM 800 N TYR A 54 5.220 8.022 3.469 1.00 0.00 N ATOM 801 CA TYR A 54 5.343 9.261 4.218 1.00 0.00 C ATOM 802 C TYR A 54 5.575 8.983 5.704 1.00 0.00 C ATOM 803 O TYR A 54 4.991 8.056 6.264 1.00 0.00 O ATOM 804 CB TYR A 54 4.008 9.990 4.050 1.00 0.00 C ATOM 805 CG TYR A 54 3.854 10.703 2.705 1.00 0.00 C ATOM 806 CD1 TYR A 54 3.511 9.984 1.578 1.00 0.00 C ATOM 807 CD2 TYR A 54 4.056 12.066 2.620 1.00 0.00 C ATOM 808 CE1 TYR A 54 3.366 10.656 0.313 1.00 0.00 C ATOM 809 CE2 TYR A 54 3.911 12.737 1.354 1.00 0.00 C ATOM 810 CZ TYR A 54 3.573 11.999 0.263 1.00 0.00 C ATOM 811 OH TYR A 54 3.435 12.633 -0.932 1.00 0.00 O ATOM 0 H TYR A 54 4.282 7.623 3.457 1.00 0.00 H new ATOM 0 HA TYR A 54 6.188 9.846 3.855 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.196 9.271 4.164 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.901 10.721 4.852 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.351 8.918 1.645 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.323 12.629 3.502 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.099 10.105 -0.577 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.067 13.803 1.273 1.00 0.00 H new ATOM 0 HH TYR A 54 3.254 11.973 -1.634 1.00 0.00 H new ATOM 821 N GLY A 55 6.428 9.802 6.301 1.00 0.00 N ATOM 822 CA GLY A 55 6.745 9.655 7.712 1.00 0.00 C ATOM 823 C GLY A 55 5.499 9.859 8.577 1.00 0.00 C ATOM 824 O GLY A 55 4.402 9.451 8.198 1.00 0.00 O ATOM 0 H GLY A 55 6.910 10.570 5.834 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.160 8.664 7.894 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.510 10.378 7.994 1.00 0.00 H new ATOM 828 N ALA A 56 5.711 10.491 9.722 1.00 0.00 N ATOM 829 CA ALA A 56 4.619 10.754 10.644 1.00 0.00 C ATOM 830 C ALA A 56 3.840 11.982 10.169 1.00 0.00 C ATOM 831 O ALA A 56 2.729 11.857 9.656 1.00 0.00 O ATOM 832 CB ALA A 56 5.175 10.928 12.059 1.00 0.00 C ATOM 0 H ALA A 56 6.622 10.828 10.032 1.00 0.00 H new ATOM 0 HA ALA A 56 3.926 9.913 10.667 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.356 11.125 12.750 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.693 10.018 12.361 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.873 11.765 12.075 1.00 0.00 H new ATOM 838 N ASP A 57 4.454 13.141 10.356 1.00 0.00 N ATOM 839 CA ASP A 57 3.832 14.391 9.953 1.00 0.00 C ATOM 840 C ASP A 57 3.902 14.522 8.430 1.00 0.00 C ATOM 841 O ASP A 57 4.461 15.487 7.911 1.00 0.00 O ATOM 842 CB ASP A 57 4.559 15.590 10.564 1.00 0.00 C ATOM 843 CG ASP A 57 3.711 16.855 10.709 1.00 0.00 C ATOM 844 OD1 ASP A 57 2.821 17.042 9.852 1.00 0.00 O ATOM 845 OD2 ASP A 57 3.973 17.607 11.673 1.00 0.00 O ATOM 0 H ASP A 57 5.376 13.241 10.781 1.00 0.00 H new ATOM 0 HA ASP A 57 2.799 14.381 10.300 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.933 15.306 11.548 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.428 15.822 9.948 1.00 0.00 H new ATOM 850 N ASP A 58 3.327 13.537 7.756 1.00 0.00 N ATOM 851 CA ASP A 58 3.317 13.530 6.303 1.00 0.00 C ATOM 852 C ASP A 58 4.669 14.027 5.786 1.00 0.00 C ATOM 853 O ASP A 58 4.783 15.163 5.330 1.00 0.00 O ATOM 854 CB ASP A 58 2.231 14.459 5.755 1.00 0.00 C ATOM 855 CG ASP A 58 0.834 14.232 6.335 1.00 0.00 C ATOM 856 OD1 ASP A 58 0.229 13.200 5.970 1.00 0.00 O ATOM 857 OD2 ASP A 58 0.401 15.095 7.129 1.00 0.00 O ATOM 0 H ASP A 58 2.864 12.738 8.189 1.00 0.00 H new ATOM 0 HA ASP A 58 3.120 12.510 5.972 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.525 15.491 5.948 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.183 14.338 4.673 1.00 0.00 H new ATOM 862 N LYS A 59 5.658 13.150 5.873 1.00 0.00 N ATOM 863 CA LYS A 59 6.997 13.484 5.420 1.00 0.00 C ATOM 864 C LYS A 59 7.510 12.377 4.498 1.00 0.00 C ATOM 865 O LYS A 59 8.028 11.364 4.967 1.00 0.00 O ATOM 866 CB LYS A 59 7.912 13.765 6.613 1.00 0.00 C ATOM 867 CG LYS A 59 8.051 15.269 6.856 1.00 0.00 C ATOM 868 CD LYS A 59 7.825 15.610 8.330 1.00 0.00 C ATOM 869 CE LYS A 59 9.138 15.556 9.113 1.00 0.00 C ATOM 870 NZ LYS A 59 9.326 14.219 9.719 1.00 0.00 N ATOM 0 H LYS A 59 5.558 12.208 6.251 1.00 0.00 H new ATOM 0 HA LYS A 59 6.983 14.404 4.836 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.510 13.285 7.505 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.895 13.330 6.432 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.044 15.600 6.551 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.332 15.808 6.240 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.388 16.605 8.414 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.110 14.911 8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.973 15.782 8.450 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.135 16.318 9.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.222 14.200 10.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.538 14.018 10.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.350 13.498 8.969 1.00 0.00 H new ATOM 884 N PHE A 60 7.350 12.606 3.203 1.00 0.00 N ATOM 885 CA PHE A 60 7.791 11.640 2.211 1.00 0.00 C ATOM 886 C PHE A 60 9.219 11.173 2.497 1.00 0.00 C ATOM 887 O PHE A 60 10.084 11.981 2.834 1.00 0.00 O ATOM 888 CB PHE A 60 7.760 12.347 0.854 1.00 0.00 C ATOM 889 CG PHE A 60 8.361 11.525 -0.289 1.00 0.00 C ATOM 890 CD1 PHE A 60 9.694 11.592 -0.546 1.00 0.00 C ATOM 891 CD2 PHE A 60 7.561 10.729 -1.047 1.00 0.00 C ATOM 892 CE1 PHE A 60 10.252 10.829 -1.607 1.00 0.00 C ATOM 893 CE2 PHE A 60 8.118 9.967 -2.108 1.00 0.00 C ATOM 894 CZ PHE A 60 9.451 10.033 -2.365 1.00 0.00 C ATOM 0 H PHE A 60 6.921 13.447 2.817 1.00 0.00 H new ATOM 0 HA PHE A 60 7.141 10.765 2.229 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.727 12.593 0.607 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.302 13.289 0.934 1.00 0.00 H new ATOM 0 HD1 PHE A 60 10.329 12.225 0.056 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.502 10.676 -0.842 1.00 0.00 H new ATOM 0 HE1 PHE A 60 11.311 10.881 -1.811 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.482 9.335 -2.711 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.874 9.453 -3.172 1.00 0.00 H new ATOM 904 N TYR A 61 9.422 9.872 2.353 1.00 0.00 N ATOM 905 CA TYR A 61 10.731 9.288 2.593 1.00 0.00 C ATOM 906 C TYR A 61 11.321 8.717 1.301 1.00 0.00 C ATOM 907 O TYR A 61 12.235 9.302 0.721 1.00 0.00 O ATOM 908 CB TYR A 61 10.508 8.146 3.586 1.00 0.00 C ATOM 909 CG TYR A 61 10.641 8.561 5.052 1.00 0.00 C ATOM 910 CD1 TYR A 61 10.587 9.896 5.399 1.00 0.00 C ATOM 911 CD2 TYR A 61 10.815 7.602 6.028 1.00 0.00 C ATOM 912 CE1 TYR A 61 10.712 10.288 6.779 1.00 0.00 C ATOM 913 CE2 TYR A 61 10.940 7.993 7.409 1.00 0.00 C ATOM 914 CZ TYR A 61 10.882 9.316 7.716 1.00 0.00 C ATOM 915 OH TYR A 61 11.000 9.686 9.019 1.00 0.00 O ATOM 0 H TYR A 61 8.702 9.206 2.073 1.00 0.00 H new ATOM 0 HA TYR A 61 11.424 10.040 2.970 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.514 7.728 3.426 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.225 7.352 3.377 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.451 10.647 4.635 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.858 6.557 5.757 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.672 11.329 7.064 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.077 7.252 8.183 1.00 0.00 H new ATOM 0 HH TYR A 61 11.115 8.888 9.576 1.00 0.00 H new ATOM 925 N SER A 62 10.775 7.582 0.890 1.00 0.00 N ATOM 926 CA SER A 62 11.236 6.926 -0.322 1.00 0.00 C ATOM 927 C SER A 62 10.039 6.500 -1.174 1.00 0.00 C ATOM 928 O SER A 62 8.892 6.635 -0.751 1.00 0.00 O ATOM 929 CB SER A 62 12.112 5.715 0.007 1.00 0.00 C ATOM 930 OG SER A 62 13.497 6.049 0.030 1.00 0.00 O ATOM 0 H SER A 62 10.018 7.100 1.375 1.00 0.00 H new ATOM 0 HA SER A 62 11.841 7.635 -0.887 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.821 5.309 0.976 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.940 4.932 -0.731 1.00 0.00 H new ATOM 0 HG SER A 62 14.023 5.250 0.245 1.00 0.00 H new ATOM 936 N LYS A 63 10.347 5.994 -2.359 1.00 0.00 N ATOM 937 CA LYS A 63 9.311 5.547 -3.274 1.00 0.00 C ATOM 938 C LYS A 63 9.339 4.020 -3.364 1.00 0.00 C ATOM 939 O LYS A 63 10.409 3.413 -3.337 1.00 0.00 O ATOM 940 CB LYS A 63 9.454 6.246 -4.628 1.00 0.00 C ATOM 941 CG LYS A 63 8.852 7.652 -4.585 1.00 0.00 C ATOM 942 CD LYS A 63 7.587 7.733 -5.442 1.00 0.00 C ATOM 943 CE LYS A 63 7.775 8.707 -6.607 1.00 0.00 C ATOM 944 NZ LYS A 63 8.738 8.159 -7.589 1.00 0.00 N ATOM 0 H LYS A 63 11.300 5.884 -2.707 1.00 0.00 H new ATOM 0 HA LYS A 63 8.326 5.826 -2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.508 6.306 -4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.958 5.657 -5.400 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.616 7.919 -3.555 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.584 8.376 -4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.340 6.744 -5.827 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.747 8.054 -4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.817 8.892 -7.092 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.134 9.666 -6.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.842 8.824 -8.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.661 8.021 -7.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.389 7.247 -7.946 1.00 0.00 H new ATOM 958 N LEU A 64 8.152 3.443 -3.470 1.00 0.00 N ATOM 959 CA LEU A 64 8.027 1.998 -3.564 1.00 0.00 C ATOM 960 C LEU A 64 8.054 1.584 -5.037 1.00 0.00 C ATOM 961 O LEU A 64 7.076 1.042 -5.550 1.00 0.00 O ATOM 962 CB LEU A 64 6.785 1.517 -2.812 1.00 0.00 C ATOM 963 CG LEU A 64 6.772 1.774 -1.304 1.00 0.00 C ATOM 964 CD1 LEU A 64 8.171 2.133 -0.797 1.00 0.00 C ATOM 965 CD2 LEU A 64 5.739 2.841 -0.938 1.00 0.00 C ATOM 0 H LEU A 64 7.267 3.950 -3.493 1.00 0.00 H new ATOM 0 HA LEU A 64 8.872 1.510 -3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.911 1.998 -3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.676 0.445 -2.979 1.00 0.00 H new ATOM 0 HG LEU A 64 6.474 0.853 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.134 2.311 0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.856 1.311 -1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.521 3.033 -1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.751 3.004 0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.982 3.773 -1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.747 2.507 -1.244 1.00 0.00 H new ATOM 977 N ASP A 65 9.183 1.854 -5.674 1.00 0.00 N ATOM 978 CA ASP A 65 9.350 1.516 -7.078 1.00 0.00 C ATOM 979 C ASP A 65 9.733 0.040 -7.200 1.00 0.00 C ATOM 980 O ASP A 65 9.220 -0.669 -8.064 1.00 0.00 O ATOM 981 CB ASP A 65 10.463 2.348 -7.716 1.00 0.00 C ATOM 982 CG ASP A 65 10.801 1.976 -9.161 1.00 0.00 C ATOM 983 OD1 ASP A 65 9.950 2.256 -10.033 1.00 0.00 O ATOM 984 OD2 ASP A 65 11.903 1.420 -9.361 1.00 0.00 O ATOM 0 H ASP A 65 9.992 2.303 -5.244 1.00 0.00 H new ATOM 0 HA ASP A 65 8.409 1.721 -7.589 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.174 3.399 -7.685 1.00 0.00 H new ATOM 0 HB3 ASP A 65 11.364 2.247 -7.111 1.00 0.00 H new ATOM 989 N GLN A 66 10.633 -0.380 -6.322 1.00 0.00 N ATOM 990 CA GLN A 66 11.091 -1.759 -6.320 1.00 0.00 C ATOM 991 C GLN A 66 9.898 -2.714 -6.257 1.00 0.00 C ATOM 992 O GLN A 66 9.182 -2.754 -5.257 1.00 0.00 O ATOM 993 CB GLN A 66 12.060 -2.013 -5.164 1.00 0.00 C ATOM 994 CG GLN A 66 13.261 -2.840 -5.627 1.00 0.00 C ATOM 995 CD GLN A 66 14.438 -1.936 -6.000 1.00 0.00 C ATOM 996 OE1 GLN A 66 14.275 -0.801 -6.417 1.00 0.00 O ATOM 997 NE2 GLN A 66 15.630 -2.501 -5.828 1.00 0.00 N ATOM 0 H GLN A 66 11.057 0.211 -5.607 1.00 0.00 H new ATOM 0 HA GLN A 66 11.630 -1.944 -7.249 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.404 -1.062 -4.757 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.543 -2.535 -4.359 1.00 0.00 H new ATOM 0 HG2 GLN A 66 13.562 -3.526 -4.835 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.979 -3.449 -6.486 1.00 0.00 H new ATOM 0 HE21 GLN A 66 15.696 -3.456 -5.475 1.00 0.00 H new ATOM 0 HE22 GLN A 66 16.478 -1.980 -6.049 1.00 0.00 H new ATOM 1006 N GLU A 67 9.721 -3.462 -7.337 1.00 0.00 N ATOM 1007 CA GLU A 67 8.627 -4.415 -7.416 1.00 0.00 C ATOM 1008 C GLU A 67 9.072 -5.779 -6.887 1.00 0.00 C ATOM 1009 O GLU A 67 8.251 -6.564 -6.414 1.00 0.00 O ATOM 1010 CB GLU A 67 8.100 -4.527 -8.848 1.00 0.00 C ATOM 1011 CG GLU A 67 7.316 -3.274 -9.243 1.00 0.00 C ATOM 1012 CD GLU A 67 7.619 -2.871 -10.688 1.00 0.00 C ATOM 1013 OE1 GLU A 67 8.675 -2.232 -10.889 1.00 0.00 O ATOM 1014 OE2 GLU A 67 6.789 -3.210 -11.558 1.00 0.00 O ATOM 0 H GLU A 67 10.317 -3.427 -8.164 1.00 0.00 H new ATOM 0 HA GLU A 67 7.810 -4.054 -6.791 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.933 -4.671 -9.536 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.459 -5.404 -8.936 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.248 -3.458 -9.129 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.571 -2.454 -8.572 1.00 0.00 H new ATOM 1021 N ASP A 68 10.371 -6.021 -6.985 1.00 0.00 N ATOM 1022 CA ASP A 68 10.936 -7.277 -6.522 1.00 0.00 C ATOM 1023 C ASP A 68 11.280 -7.160 -5.036 1.00 0.00 C ATOM 1024 O ASP A 68 11.958 -8.025 -4.482 1.00 0.00 O ATOM 1025 CB ASP A 68 12.221 -7.616 -7.280 1.00 0.00 C ATOM 1026 CG ASP A 68 12.171 -8.912 -8.091 1.00 0.00 C ATOM 1027 OD1 ASP A 68 11.667 -8.848 -9.233 1.00 0.00 O ATOM 1028 OD2 ASP A 68 12.638 -9.938 -7.550 1.00 0.00 O ATOM 0 H ASP A 68 11.049 -5.368 -7.378 1.00 0.00 H new ATOM 0 HA ASP A 68 10.199 -8.061 -6.694 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.455 -6.792 -7.954 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.040 -7.685 -6.564 1.00 0.00 H new ATOM 1033 N ALA A 69 10.798 -6.084 -4.433 1.00 0.00 N ATOM 1034 CA ALA A 69 11.046 -5.842 -3.021 1.00 0.00 C ATOM 1035 C ALA A 69 9.823 -6.277 -2.211 1.00 0.00 C ATOM 1036 O ALA A 69 8.719 -6.366 -2.746 1.00 0.00 O ATOM 1037 CB ALA A 69 11.392 -4.367 -2.809 1.00 0.00 C ATOM 0 H ALA A 69 10.237 -5.369 -4.896 1.00 0.00 H new ATOM 0 HA ALA A 69 11.896 -6.429 -2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.578 -4.185 -1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.285 -4.117 -3.382 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.560 -3.747 -3.143 1.00 0.00 H new ATOM 1043 N LEU A 70 10.061 -6.537 -0.934 1.00 0.00 N ATOM 1044 CA LEU A 70 8.993 -6.961 -0.045 1.00 0.00 C ATOM 1045 C LEU A 70 8.623 -5.805 0.887 1.00 0.00 C ATOM 1046 O LEU A 70 9.499 -5.152 1.451 1.00 0.00 O ATOM 1047 CB LEU A 70 9.386 -8.243 0.692 1.00 0.00 C ATOM 1048 CG LEU A 70 9.894 -9.390 -0.183 1.00 0.00 C ATOM 1049 CD1 LEU A 70 10.601 -10.452 0.662 1.00 0.00 C ATOM 1050 CD2 LEU A 70 8.760 -9.985 -1.020 1.00 0.00 C ATOM 0 H LEU A 70 10.978 -6.462 -0.494 1.00 0.00 H new ATOM 0 HA LEU A 70 8.099 -7.211 -0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.159 -7.998 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.521 -8.596 1.253 1.00 0.00 H new ATOM 0 HG LEU A 70 10.631 -8.989 -0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.953 -11.256 0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.450 -10.002 1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.904 -10.855 1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.148 -10.798 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.982 -10.368 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.340 -9.213 -1.665 1.00 0.00 H new ATOM 1062 N LEU A 71 7.322 -5.587 1.019 1.00 0.00 N ATOM 1063 CA LEU A 71 6.825 -4.522 1.873 1.00 0.00 C ATOM 1064 C LEU A 71 7.376 -4.709 3.288 1.00 0.00 C ATOM 1065 O LEU A 71 6.874 -5.534 4.049 1.00 0.00 O ATOM 1066 CB LEU A 71 5.298 -4.455 1.811 1.00 0.00 C ATOM 1067 CG LEU A 71 4.686 -3.052 1.842 1.00 0.00 C ATOM 1068 CD1 LEU A 71 3.176 -3.118 2.079 1.00 0.00 C ATOM 1069 CD2 LEU A 71 5.390 -2.170 2.875 1.00 0.00 C ATOM 0 H LEU A 71 6.598 -6.130 0.549 1.00 0.00 H new ATOM 0 HA LEU A 71 7.178 -3.553 1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.969 -4.953 0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.895 -5.024 2.649 1.00 0.00 H new ATOM 0 HG LEU A 71 4.839 -2.591 0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.766 -2.108 2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.706 -3.686 1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.978 -3.606 3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.936 -1.179 2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.290 -2.617 3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.447 -2.085 2.621 1.00 0.00 H new ATOM 1081 N GLY A 72 8.400 -3.928 3.597 1.00 0.00 N ATOM 1082 CA GLY A 72 9.025 -3.997 4.908 1.00 0.00 C ATOM 1083 C GLY A 72 10.486 -3.549 4.843 1.00 0.00 C ATOM 1084 O GLY A 72 10.942 -2.783 5.691 1.00 0.00 O ATOM 0 H GLY A 72 8.813 -3.244 2.963 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.478 -3.366 5.609 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.970 -5.017 5.288 1.00 0.00 H new ATOM 1088 N SER A 73 11.179 -4.045 3.829 1.00 0.00 N ATOM 1089 CA SER A 73 12.580 -3.704 3.643 1.00 0.00 C ATOM 1090 C SER A 73 12.759 -2.186 3.681 1.00 0.00 C ATOM 1091 O SER A 73 13.854 -1.693 3.948 1.00 0.00 O ATOM 1092 CB SER A 73 13.113 -4.269 2.324 1.00 0.00 C ATOM 1093 OG SER A 73 13.087 -3.300 1.280 1.00 0.00 O ATOM 0 H SER A 73 10.797 -4.680 3.128 1.00 0.00 H new ATOM 0 HA SER A 73 13.152 -4.151 4.456 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.135 -4.621 2.467 1.00 0.00 H new ATOM 0 HB3 SER A 73 12.516 -5.133 2.032 1.00 0.00 H new ATOM 0 HG SER A 73 13.436 -3.698 0.455 1.00 0.00 H new ATOM 1099 N TYR A 74 11.667 -1.486 3.410 1.00 0.00 N ATOM 1100 CA TYR A 74 11.690 -0.033 3.410 1.00 0.00 C ATOM 1101 C TYR A 74 11.483 0.519 4.822 1.00 0.00 C ATOM 1102 O TYR A 74 11.103 -0.218 5.730 1.00 0.00 O ATOM 1103 CB TYR A 74 10.521 0.407 2.526 1.00 0.00 C ATOM 1104 CG TYR A 74 10.842 0.418 1.030 1.00 0.00 C ATOM 1105 CD1 TYR A 74 11.750 1.326 0.526 1.00 0.00 C ATOM 1106 CD2 TYR A 74 10.222 -0.480 0.185 1.00 0.00 C ATOM 1107 CE1 TYR A 74 12.052 1.337 -0.882 1.00 0.00 C ATOM 1108 CE2 TYR A 74 10.524 -0.469 -1.223 1.00 0.00 C ATOM 1109 CZ TYR A 74 11.424 0.438 -1.687 1.00 0.00 C ATOM 1110 OH TYR A 74 11.709 0.448 -3.017 1.00 0.00 O ATOM 0 H TYR A 74 10.761 -1.898 3.189 1.00 0.00 H new ATOM 0 HA TYR A 74 12.650 0.336 3.048 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.676 -0.259 2.701 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.207 1.406 2.827 1.00 0.00 H new ATOM 0 HD1 TYR A 74 12.235 2.029 1.188 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.511 -1.191 0.580 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.761 2.043 -1.289 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.046 -1.166 -1.895 1.00 0.00 H new ATOM 0 HH TYR A 74 11.361 1.271 -3.420 1.00 0.00 H new ATOM 1120 N PRO A 75 11.748 1.845 4.965 1.00 0.00 N ATOM 1121 CA PRO A 75 11.594 2.504 6.251 1.00 0.00 C ATOM 1122 C PRO A 75 10.117 2.728 6.579 1.00 0.00 C ATOM 1123 O PRO A 75 9.698 3.857 6.834 1.00 0.00 O ATOM 1124 CB PRO A 75 12.378 3.800 6.125 1.00 0.00 C ATOM 1125 CG PRO A 75 12.553 4.038 4.634 1.00 0.00 C ATOM 1126 CD PRO A 75 12.199 2.749 3.911 1.00 0.00 C ATOM 0 HA PRO A 75 11.972 1.904 7.079 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.843 4.627 6.592 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.344 3.722 6.624 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.910 4.852 4.299 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.579 4.331 4.412 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.418 2.913 3.169 1.00 0.00 H new ATOM 0 HD3 PRO A 75 13.061 2.342 3.382 1.00 0.00 H new ATOM 1134 N VAL A 76 9.367 1.636 6.562 1.00 0.00 N ATOM 1135 CA VAL A 76 7.945 1.700 6.855 1.00 0.00 C ATOM 1136 C VAL A 76 7.649 0.874 8.108 1.00 0.00 C ATOM 1137 O VAL A 76 8.524 0.172 8.614 1.00 0.00 O ATOM 1138 CB VAL A 76 7.140 1.246 5.636 1.00 0.00 C ATOM 1139 CG1 VAL A 76 7.173 -0.277 5.492 1.00 0.00 C ATOM 1140 CG2 VAL A 76 5.700 1.758 5.708 1.00 0.00 C ATOM 0 H VAL A 76 9.717 0.702 6.350 1.00 0.00 H new ATOM 0 HA VAL A 76 7.643 2.726 7.064 1.00 0.00 H new ATOM 0 HB VAL A 76 7.605 1.676 4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.593 -0.572 4.618 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.204 -0.609 5.372 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.745 -0.736 6.383 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.150 1.421 4.829 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.221 1.371 6.607 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.702 2.848 5.739 1.00 0.00 H new ATOM 1150 N ASP A 77 6.414 0.984 8.573 1.00 0.00 N ATOM 1151 CA ASP A 77 5.991 0.257 9.757 1.00 0.00 C ATOM 1152 C ASP A 77 4.488 0.451 9.961 1.00 0.00 C ATOM 1153 O ASP A 77 3.899 1.384 9.417 1.00 0.00 O ATOM 1154 CB ASP A 77 6.709 0.773 11.006 1.00 0.00 C ATOM 1155 CG ASP A 77 8.077 0.144 11.273 1.00 0.00 C ATOM 1156 OD1 ASP A 77 8.233 -1.045 10.920 1.00 0.00 O ATOM 1157 OD2 ASP A 77 8.936 0.865 11.824 1.00 0.00 O ATOM 0 H ASP A 77 5.691 1.567 8.150 1.00 0.00 H new ATOM 0 HA ASP A 77 6.234 -0.795 9.610 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.834 1.852 10.915 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.070 0.598 11.872 1.00 0.00 H new ATOM 1162 N ASP A 78 3.909 -0.445 10.747 1.00 0.00 N ATOM 1163 CA ASP A 78 2.485 -0.383 11.030 1.00 0.00 C ATOM 1164 C ASP A 78 2.155 0.964 11.675 1.00 0.00 C ATOM 1165 O ASP A 78 2.305 1.130 12.885 1.00 0.00 O ATOM 1166 CB ASP A 78 2.068 -1.488 12.003 1.00 0.00 C ATOM 1167 CG ASP A 78 3.111 -1.841 13.066 1.00 0.00 C ATOM 1168 OD1 ASP A 78 4.056 -2.578 12.711 1.00 0.00 O ATOM 1169 OD2 ASP A 78 2.939 -1.365 14.209 1.00 0.00 O ATOM 0 H ASP A 78 4.400 -1.218 11.197 1.00 0.00 H new ATOM 0 HA ASP A 78 1.949 -0.509 10.089 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.149 -1.183 12.504 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.836 -2.386 11.431 1.00 0.00 H new ATOM 1174 N GLY A 79 1.712 1.892 10.840 1.00 0.00 N ATOM 1175 CA GLY A 79 1.360 3.219 11.314 1.00 0.00 C ATOM 1176 C GLY A 79 1.748 4.288 10.290 1.00 0.00 C ATOM 1177 O GLY A 79 1.276 5.422 10.361 1.00 0.00 O ATOM 0 H GLY A 79 1.589 1.751 9.837 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.288 3.268 11.507 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.864 3.417 12.260 1.00 0.00 H new ATOM 1181 N CYS A 80 2.603 3.889 9.360 1.00 0.00 N ATOM 1182 CA CYS A 80 3.060 4.798 8.323 1.00 0.00 C ATOM 1183 C CYS A 80 1.856 5.190 7.464 1.00 0.00 C ATOM 1184 O CYS A 80 0.720 4.847 7.787 1.00 0.00 O ATOM 1185 CB CYS A 80 4.183 4.182 7.485 1.00 0.00 C ATOM 1186 SG CYS A 80 5.810 4.713 8.134 1.00 0.00 S ATOM 0 H CYS A 80 2.992 2.948 9.303 1.00 0.00 H new ATOM 0 HA CYS A 80 3.486 5.691 8.780 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.110 3.095 7.507 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.080 4.487 6.444 1.00 0.00 H new ATOM 0 HG CYS A 80 6.406 3.701 8.691 1.00 0.00 H new ATOM 1192 N ARG A 81 2.146 5.903 6.385 1.00 0.00 N ATOM 1193 CA ARG A 81 1.102 6.345 5.477 1.00 0.00 C ATOM 1194 C ARG A 81 1.485 6.024 4.031 1.00 0.00 C ATOM 1195 O ARG A 81 2.592 6.336 3.595 1.00 0.00 O ATOM 1196 CB ARG A 81 0.856 7.850 5.611 1.00 0.00 C ATOM 1197 CG ARG A 81 -0.360 8.282 4.790 1.00 0.00 C ATOM 1198 CD ARG A 81 -0.008 9.443 3.858 1.00 0.00 C ATOM 1199 NE ARG A 81 -1.191 10.310 3.662 1.00 0.00 N ATOM 1200 CZ ARG A 81 -1.178 11.453 2.961 1.00 0.00 C ATOM 1201 NH1 ARG A 81 -0.042 11.873 2.387 1.00 0.00 N ATOM 1202 NH2 ARG A 81 -2.299 12.175 2.835 1.00 0.00 N ATOM 0 H ARG A 81 3.090 6.185 6.120 1.00 0.00 H new ATOM 0 HA ARG A 81 0.187 5.814 5.740 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.701 8.105 6.659 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.738 8.397 5.277 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.726 7.439 4.204 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.168 8.580 5.459 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.813 10.023 4.280 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.335 9.058 2.897 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.072 10.020 4.087 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.812 11.323 2.484 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.031 12.742 1.854 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.163 11.855 3.272 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.288 13.044 2.302 1.00 0.00 H new ATOM 1216 N ILE A 82 0.548 5.405 3.328 1.00 0.00 N ATOM 1217 CA ILE A 82 0.774 5.039 1.940 1.00 0.00 C ATOM 1218 C ILE A 82 -0.120 5.894 1.040 1.00 0.00 C ATOM 1219 O ILE A 82 -1.314 5.625 0.909 1.00 0.00 O ATOM 1220 CB ILE A 82 0.582 3.533 1.746 1.00 0.00 C ATOM 1221 CG1 ILE A 82 1.734 2.748 2.376 1.00 0.00 C ATOM 1222 CG2 ILE A 82 0.398 3.191 0.266 1.00 0.00 C ATOM 1223 CD1 ILE A 82 2.994 2.833 1.512 1.00 0.00 C ATOM 0 H ILE A 82 -0.369 5.148 3.693 1.00 0.00 H new ATOM 0 HA ILE A 82 1.805 5.245 1.654 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.331 3.235 2.262 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.944 3.140 3.371 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.443 1.705 2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.264 2.115 0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.480 3.708 -0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.279 3.506 -0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.797 2.266 1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.787 2.418 0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.296 3.875 1.411 1.00 0.00 H new ATOM 1235 N HIS A 83 0.491 6.906 0.442 1.00 0.00 N ATOM 1236 CA HIS A 83 -0.235 7.802 -0.443 1.00 0.00 C ATOM 1237 C HIS A 83 -0.211 7.246 -1.868 1.00 0.00 C ATOM 1238 O HIS A 83 0.836 7.226 -2.513 1.00 0.00 O ATOM 1239 CB HIS A 83 0.322 9.224 -0.352 1.00 0.00 C ATOM 1240 CG HIS A 83 -0.555 10.269 -0.999 1.00 0.00 C ATOM 1241 ND1 HIS A 83 -1.665 10.808 -0.373 1.00 0.00 N ATOM 1242 CD2 HIS A 83 -0.472 10.869 -2.221 1.00 0.00 C ATOM 1243 CE1 HIS A 83 -2.219 11.691 -1.191 1.00 0.00 C ATOM 1244 NE2 HIS A 83 -1.479 11.727 -2.336 1.00 0.00 N ATOM 0 H HIS A 83 1.481 7.126 0.553 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.278 7.862 -0.131 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.463 9.482 0.698 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.306 9.249 -0.821 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.284 10.679 -2.968 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.102 12.279 -0.987 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.668 12.316 -3.147 1.00 0.00 H new ATOM 1252 N VAL A 84 -1.378 6.808 -2.317 1.00 0.00 N ATOM 1253 CA VAL A 84 -1.505 6.254 -3.654 1.00 0.00 C ATOM 1254 C VAL A 84 -1.720 7.391 -4.655 1.00 0.00 C ATOM 1255 O VAL A 84 -2.714 8.111 -4.578 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.624 5.211 -3.685 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -2.722 4.552 -5.062 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.427 4.163 -2.588 1.00 0.00 C ATOM 0 H VAL A 84 -2.244 6.826 -1.779 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.589 5.737 -3.941 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.566 5.725 -3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.525 3.815 -5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.932 5.312 -5.815 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.779 4.059 -5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.236 3.434 -2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.473 3.657 -2.736 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.431 4.651 -1.613 1.00 0.00 H new ATOM 1268 N ILE A 85 -0.771 7.517 -5.571 1.00 0.00 N ATOM 1269 CA ILE A 85 -0.845 8.555 -6.586 1.00 0.00 C ATOM 1270 C ILE A 85 -1.644 8.036 -7.783 1.00 0.00 C ATOM 1271 O ILE A 85 -1.129 7.264 -8.591 1.00 0.00 O ATOM 1272 CB ILE A 85 0.557 9.048 -6.950 1.00 0.00 C ATOM 1273 CG1 ILE A 85 1.334 9.465 -5.700 1.00 0.00 C ATOM 1274 CG2 ILE A 85 0.491 10.172 -7.986 1.00 0.00 C ATOM 1275 CD1 ILE A 85 2.809 9.708 -6.026 1.00 0.00 C ATOM 0 H ILE A 85 0.053 6.918 -5.632 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.375 9.426 -6.202 1.00 0.00 H new ATOM 0 HB ILE A 85 1.102 8.221 -7.406 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.897 10.371 -5.281 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.249 8.689 -4.939 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.501 10.504 -8.227 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.004 9.806 -8.890 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.079 11.008 -7.580 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.338 10.003 -5.120 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.250 8.793 -6.422 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.892 10.501 -6.769 1.00 0.00 H new ATOM 1287 N ASP A 86 -2.890 8.480 -7.860 1.00 0.00 N ATOM 1288 CA ASP A 86 -3.765 8.070 -8.944 1.00 0.00 C ATOM 1289 C ASP A 86 -3.201 8.583 -10.271 1.00 0.00 C ATOM 1290 O ASP A 86 -3.354 9.757 -10.602 1.00 0.00 O ATOM 1291 CB ASP A 86 -5.169 8.655 -8.770 1.00 0.00 C ATOM 1292 CG ASP A 86 -5.980 8.785 -10.061 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -6.199 7.734 -10.701 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -6.362 9.932 -10.378 1.00 0.00 O ATOM 0 H ASP A 86 -3.314 9.120 -7.189 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.824 6.982 -8.936 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.724 8.028 -8.072 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.082 9.641 -8.313 1.00 0.00 H new ATOM 1299 N HIS A 87 -2.561 7.676 -10.994 1.00 0.00 N ATOM 1300 CA HIS A 87 -1.973 8.021 -12.277 1.00 0.00 C ATOM 1301 C HIS A 87 -3.021 7.866 -13.381 1.00 0.00 C ATOM 1302 O HIS A 87 -2.922 8.501 -14.430 1.00 0.00 O ATOM 1303 CB HIS A 87 -0.712 7.195 -12.537 1.00 0.00 C ATOM 1304 CG HIS A 87 0.566 7.868 -12.096 1.00 0.00 C ATOM 1305 ND1 HIS A 87 1.325 7.692 -10.976 1.00 0.00 N flip ATOM 1306 CD2 HIS A 87 1.194 8.848 -12.844 1.00 0.00 C flip ATOM 1307 CE1 HIS A 87 2.361 8.519 -11.038 1.00 0.00 C flip ATOM 1308 NE2 HIS A 87 2.282 9.237 -12.194 1.00 0.00 N flip ATOM 0 H HIS A 87 -2.437 6.703 -10.716 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.658 9.064 -12.267 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.804 6.239 -12.021 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -0.646 6.977 -13.603 1.00 0.00 H new ATOM 0 HD2 HIS A 87 0.856 9.231 -13.795 1.00 0.00 H new ATOM 0 HE1 HIS A 87 3.139 8.608 -10.294 1.00 0.00 H new ATOM 0 HE2 HIS A 87 2.944 9.949 -12.504 1.00 0.00 H new