USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=21 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 Set 1.1: A 54 TYR OH : rot -71:sc= -0.772 USER MOD Set 1.2: A 83 HIS : no HD1:sc= 0 X(o=-0.77,f=-1) USER MOD Set 2.1: A 47 SER OG : rot 38:sc= 0.549! USER MOD Set 2.2: A 48 CYS SG : rot -6:sc= 0.224 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 47:sc= 0.235 USER MOD Single : A 14 SER OG : rot 140:sc= -0.0558 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 -132:sc= -2.58! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 170:sc= -1.4 USER MOD Single : A 35 LYS NZ :NH3+ -158:sc= -3! (180deg=-4.86!) USER MOD Single : A 36 CYS SG : rot -6:sc= 1.26 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 170:sc= 0 USER MOD Single : A 49 MET CE :methyl -154:sc= -3.81! (180deg=-4.37!) 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 9:sc= 1.25 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.0162 X(o=-0.016,f=-0.16) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 18:sc= -1.54 USER MOD Single : A 80 CYS SG : rot -88:sc= 1.21 USER MOD Single : A 87 HIS : no HD1:sc= -0.175 X(o=-0.18,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 1.279 -9.079 10.038 1.00 0.00 N ATOM 60 CA GLY A 7 0.588 -8.014 9.331 1.00 0.00 C ATOM 61 C GLY A 7 1.033 -6.641 9.838 1.00 0.00 C ATOM 62 O GLY A 7 1.617 -6.532 10.915 1.00 0.00 O ATOM 0 HA2 GLY A 7 0.787 -8.093 8.262 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.488 -8.123 9.464 1.00 0.00 H new ATOM 66 N VAL A 8 0.740 -5.627 9.037 1.00 0.00 N ATOM 67 CA VAL A 8 1.103 -4.265 9.391 1.00 0.00 C ATOM 68 C VAL A 8 -0.019 -3.316 8.964 1.00 0.00 C ATOM 69 O VAL A 8 -0.527 -3.412 7.849 1.00 0.00 O ATOM 70 CB VAL A 8 2.456 -3.906 8.774 1.00 0.00 C ATOM 71 CG1 VAL A 8 3.599 -4.204 9.748 1.00 0.00 C ATOM 72 CG2 VAL A 8 2.664 -4.637 7.446 1.00 0.00 C ATOM 0 H VAL A 8 0.256 -5.721 8.144 1.00 0.00 H new ATOM 0 HA VAL A 8 1.218 -4.169 10.471 1.00 0.00 H new ATOM 0 HB VAL A 8 2.458 -2.835 8.571 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.550 -3.940 9.285 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.464 -3.619 10.658 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.599 -5.265 9.996 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.633 -4.364 7.028 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.631 -5.713 7.614 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.876 -4.355 6.748 1.00 0.00 H new ATOM 82 N MET A 9 -0.372 -2.421 9.876 1.00 0.00 N ATOM 83 CA MET A 9 -1.424 -1.455 9.608 1.00 0.00 C ATOM 84 C MET A 9 -0.848 -0.166 9.018 1.00 0.00 C ATOM 85 O MET A 9 -0.149 0.577 9.706 1.00 0.00 O ATOM 86 CB MET A 9 -2.166 -1.135 10.906 1.00 0.00 C ATOM 87 CG MET A 9 -3.290 -2.143 11.158 1.00 0.00 C ATOM 88 SD MET A 9 -3.549 -2.344 12.912 1.00 0.00 S ATOM 89 CE MET A 9 -4.607 -0.943 13.232 1.00 0.00 C ATOM 0 H MET A 9 0.052 -2.345 10.801 1.00 0.00 H new ATOM 0 HA MET A 9 -2.113 -1.888 8.883 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.466 -1.148 11.742 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.581 -0.128 10.853 1.00 0.00 H new ATOM 0 HG2 MET A 9 -4.210 -1.801 10.683 1.00 0.00 H new ATOM 0 HG3 MET A 9 -3.037 -3.103 10.707 1.00 0.00 H new ATOM 0 HE1 MET A 9 -4.867 -0.917 14.290 1.00 0.00 H new ATOM 0 HE2 MET A 9 -4.085 -0.024 12.964 1.00 0.00 H new ATOM 0 HE3 MET A 9 -5.516 -1.030 12.637 1.00 0.00 H new ATOM 99 N VAL A 10 -1.162 0.060 7.751 1.00 0.00 N ATOM 100 CA VAL A 10 -0.685 1.247 7.062 1.00 0.00 C ATOM 101 C VAL A 10 -1.882 2.088 6.614 1.00 0.00 C ATOM 102 O VAL A 10 -2.941 1.547 6.298 1.00 0.00 O ATOM 103 CB VAL A 10 0.231 0.846 5.904 1.00 0.00 C ATOM 104 CG1 VAL A 10 1.485 0.134 6.417 1.00 0.00 C ATOM 105 CG2 VAL A 10 -0.516 -0.022 4.889 1.00 0.00 C ATOM 0 H VAL A 10 -1.741 -0.559 7.183 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.088 1.864 7.733 1.00 0.00 H new ATOM 0 HB VAL A 10 0.548 1.757 5.397 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.119 -0.140 5.573 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.035 0.800 7.083 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.196 -0.765 6.961 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.158 -0.293 4.076 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.876 -0.927 5.379 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.363 0.535 4.488 1.00 0.00 H new ATOM 115 N PHE A 11 -1.673 3.396 6.600 1.00 0.00 N ATOM 116 CA PHE A 11 -2.722 4.317 6.196 1.00 0.00 C ATOM 117 C PHE A 11 -2.639 4.619 4.699 1.00 0.00 C ATOM 118 O PHE A 11 -1.796 5.404 4.266 1.00 0.00 O ATOM 119 CB PHE A 11 -2.505 5.613 6.979 1.00 0.00 C ATOM 120 CG PHE A 11 -3.176 5.629 8.354 1.00 0.00 C ATOM 121 CD1 PHE A 11 -2.587 4.999 9.406 1.00 0.00 C ATOM 122 CD2 PHE A 11 -4.362 6.273 8.525 1.00 0.00 C ATOM 123 CE1 PHE A 11 -3.209 5.014 10.682 1.00 0.00 C ATOM 124 CE2 PHE A 11 -4.984 6.288 9.801 1.00 0.00 C ATOM 125 CZ PHE A 11 -4.395 5.658 10.853 1.00 0.00 C ATOM 0 H PHE A 11 -0.793 3.840 6.862 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.700 3.879 6.397 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.434 5.773 7.107 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.885 6.449 6.391 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.646 4.487 9.270 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.830 6.773 7.690 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -2.741 4.514 11.517 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.925 6.800 9.937 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.869 5.669 11.823 1.00 0.00 H new ATOM 135 N ILE A 12 -3.525 3.981 3.948 1.00 0.00 N ATOM 136 CA ILE A 12 -3.563 4.172 2.508 1.00 0.00 C ATOM 137 C ILE A 12 -4.392 5.416 2.185 1.00 0.00 C ATOM 138 O ILE A 12 -5.323 5.753 2.915 1.00 0.00 O ATOM 139 CB ILE A 12 -4.060 2.903 1.812 1.00 0.00 C ATOM 140 CG1 ILE A 12 -3.387 1.659 2.395 1.00 0.00 C ATOM 141 CG2 ILE A 12 -3.872 3.000 0.297 1.00 0.00 C ATOM 142 CD1 ILE A 12 -1.917 1.583 1.977 1.00 0.00 C ATOM 0 H ILE A 12 -4.223 3.331 4.310 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.560 4.348 2.120 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.130 2.807 1.998 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.459 1.678 3.482 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.911 0.765 2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.233 2.086 -0.174 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.434 3.852 -0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.814 3.132 0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.463 0.689 2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.850 1.539 0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.390 2.466 2.338 1.00 0.00 H new ATOM 154 N SER A 13 -4.024 6.065 1.090 1.00 0.00 N ATOM 155 CA SER A 13 -4.722 7.265 0.661 1.00 0.00 C ATOM 156 C SER A 13 -4.681 7.377 -0.865 1.00 0.00 C ATOM 157 O SER A 13 -4.171 6.487 -1.543 1.00 0.00 O ATOM 158 CB SER A 13 -4.115 8.515 1.302 1.00 0.00 C ATOM 159 OG SER A 13 -4.982 9.641 1.200 1.00 0.00 O ATOM 0 H SER A 13 -3.251 5.782 0.487 1.00 0.00 H new ATOM 0 HA SER A 13 -5.760 7.191 0.986 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.901 8.316 2.352 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.164 8.744 0.820 1.00 0.00 H new ATOM 0 HG SER A 13 -5.889 9.380 1.462 1.00 0.00 H new ATOM 165 N SER A 14 -5.225 8.479 -1.360 1.00 0.00 N ATOM 166 CA SER A 14 -5.256 8.720 -2.793 1.00 0.00 C ATOM 167 C SER A 14 -5.783 10.128 -3.076 1.00 0.00 C ATOM 168 O SER A 14 -6.438 10.731 -2.227 1.00 0.00 O ATOM 169 CB SER A 14 -6.118 7.677 -3.507 1.00 0.00 C ATOM 170 OG SER A 14 -7.439 7.620 -2.975 1.00 0.00 O ATOM 0 H SER A 14 -5.648 9.215 -0.794 1.00 0.00 H new ATOM 0 HA SER A 14 -4.239 8.636 -3.176 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.165 7.913 -4.570 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.649 6.697 -3.418 1.00 0.00 H new ATOM 0 HG SER A 14 -8.082 7.511 -3.707 1.00 0.00 H new ATOM 176 N SER A 15 -5.478 10.610 -4.271 1.00 0.00 N ATOM 177 CA SER A 15 -5.912 11.936 -4.677 1.00 0.00 C ATOM 178 C SER A 15 -7.382 11.898 -5.100 1.00 0.00 C ATOM 179 O SER A 15 -8.005 12.942 -5.289 1.00 0.00 O ATOM 180 CB SER A 15 -5.045 12.476 -5.816 1.00 0.00 C ATOM 181 OG SER A 15 -4.928 13.895 -5.771 1.00 0.00 O ATOM 0 H SER A 15 -4.935 10.106 -4.972 1.00 0.00 H new ATOM 0 HA SER A 15 -5.802 12.607 -3.825 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.053 12.028 -5.760 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.475 12.178 -6.772 1.00 0.00 H new ATOM 0 HG SER A 15 -4.366 14.201 -6.513 1.00 0.00 H new ATOM 187 N LEU A 16 -7.894 10.684 -5.238 1.00 0.00 N ATOM 188 CA LEU A 16 -9.279 10.496 -5.636 1.00 0.00 C ATOM 189 C LEU A 16 -10.187 10.711 -4.423 1.00 0.00 C ATOM 190 O LEU A 16 -11.089 11.546 -4.459 1.00 0.00 O ATOM 191 CB LEU A 16 -9.463 9.135 -6.309 1.00 0.00 C ATOM 192 CG LEU A 16 -8.433 8.771 -7.381 1.00 0.00 C ATOM 193 CD1 LEU A 16 -8.096 7.280 -7.334 1.00 0.00 C ATOM 194 CD2 LEU A 16 -8.908 9.209 -8.768 1.00 0.00 C ATOM 0 H LEU A 16 -7.374 9.820 -5.081 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.565 11.236 -6.384 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.443 8.365 -5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.454 9.107 -6.762 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.512 9.315 -7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.362 7.048 -8.106 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.685 7.031 -6.356 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.001 6.697 -7.507 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.158 8.939 -9.512 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.849 8.712 -9.004 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.056 10.289 -8.778 1.00 0.00 H new ATOM 206 N ASN A 17 -9.917 9.942 -3.378 1.00 0.00 N ATOM 207 CA ASN A 17 -10.698 10.038 -2.157 1.00 0.00 C ATOM 208 C ASN A 17 -10.152 11.178 -1.295 1.00 0.00 C ATOM 209 O ASN A 17 -10.903 11.821 -0.563 1.00 0.00 O ATOM 210 CB ASN A 17 -10.608 8.745 -1.343 1.00 0.00 C ATOM 211 CG ASN A 17 -11.817 7.846 -1.608 1.00 0.00 C ATOM 212 OD1 ASN A 17 -12.639 7.596 -0.741 1.00 0.00 O ATOM 213 ND2 ASN A 17 -11.879 7.374 -2.849 1.00 0.00 N ATOM 0 H ASN A 17 -9.168 9.250 -3.352 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.737 10.219 -2.434 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.692 8.213 -1.599 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.553 8.983 -0.281 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.648 6.763 -3.125 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.158 7.623 -3.526 1.00 0.00 H new ATOM 220 N SER A 18 -8.850 11.394 -1.411 1.00 0.00 N ATOM 221 CA SER A 18 -8.195 12.445 -0.652 1.00 0.00 C ATOM 222 C SER A 18 -7.964 11.984 0.788 1.00 0.00 C ATOM 223 O SER A 18 -6.824 11.918 1.247 1.00 0.00 O ATOM 224 CB SER A 18 -9.021 13.734 -0.670 1.00 0.00 C ATOM 225 OG SER A 18 -8.196 14.896 -0.682 1.00 0.00 O ATOM 0 H SER A 18 -8.231 10.859 -2.020 1.00 0.00 H new ATOM 0 HA SER A 18 -7.233 12.655 -1.119 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.667 13.739 -1.548 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.672 13.760 0.204 1.00 0.00 H new ATOM 0 HG SER A 18 -8.760 15.697 -0.695 1.00 0.00 H new ATOM 231 N PHE A 19 -9.062 11.677 1.462 1.00 0.00 N ATOM 232 CA PHE A 19 -8.993 11.224 2.840 1.00 0.00 C ATOM 233 C PHE A 19 -8.179 9.933 2.953 1.00 0.00 C ATOM 234 O PHE A 19 -8.041 9.195 1.979 1.00 0.00 O ATOM 235 CB PHE A 19 -10.428 10.948 3.293 1.00 0.00 C ATOM 236 CG PHE A 19 -11.064 12.098 4.078 1.00 0.00 C ATOM 237 CD1 PHE A 19 -10.527 12.491 5.264 1.00 0.00 C ATOM 238 CD2 PHE A 19 -12.167 12.726 3.589 1.00 0.00 C ATOM 239 CE1 PHE A 19 -11.118 13.557 5.992 1.00 0.00 C ATOM 240 CE2 PHE A 19 -12.757 13.793 4.317 1.00 0.00 C ATOM 241 CZ PHE A 19 -12.220 14.186 5.503 1.00 0.00 C ATOM 0 H PHE A 19 -10.006 11.733 1.079 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.510 11.982 3.456 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -11.041 10.737 2.417 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.437 10.051 3.912 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.651 11.992 5.652 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.594 12.413 2.648 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.692 13.868 6.934 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -13.632 14.292 3.929 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.669 14.998 6.056 1.00 0.00 H new ATOM 251 N ARG A 20 -7.660 9.701 4.150 1.00 0.00 N ATOM 252 CA ARG A 20 -6.864 8.512 4.402 1.00 0.00 C ATOM 253 C ARG A 20 -7.768 7.335 4.773 1.00 0.00 C ATOM 254 O ARG A 20 -8.824 7.525 5.376 1.00 0.00 O ATOM 255 CB ARG A 20 -5.861 8.751 5.533 1.00 0.00 C ATOM 256 CG ARG A 20 -4.659 9.559 5.039 1.00 0.00 C ATOM 257 CD ARG A 20 -4.919 11.061 5.164 1.00 0.00 C ATOM 258 NE ARG A 20 -4.951 11.452 6.591 1.00 0.00 N ATOM 259 CZ ARG A 20 -5.444 12.614 7.041 1.00 0.00 C ATOM 260 NH1 ARG A 20 -5.949 13.506 6.178 1.00 0.00 N ATOM 261 NH2 ARG A 20 -5.431 12.884 8.353 1.00 0.00 N ATOM 0 H ARG A 20 -7.775 10.316 4.955 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.317 8.280 3.488 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.349 9.282 6.350 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.522 7.795 5.931 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.774 9.290 5.616 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.450 9.308 3.999 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.140 11.618 4.643 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.866 11.316 4.687 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.574 10.796 7.275 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.958 13.300 5.179 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.324 14.391 6.520 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.046 12.205 9.010 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.806 13.769 8.695 1.00 0.00 H new ATOM 275 N SER A 21 -7.322 6.146 4.396 1.00 0.00 N ATOM 276 CA SER A 21 -8.078 4.938 4.681 1.00 0.00 C ATOM 277 C SER A 21 -7.297 4.047 5.648 1.00 0.00 C ATOM 278 O SER A 21 -6.137 4.324 5.953 1.00 0.00 O ATOM 279 CB SER A 21 -8.399 4.173 3.396 1.00 0.00 C ATOM 280 OG SER A 21 -9.663 4.545 2.854 1.00 0.00 O ATOM 0 H SER A 21 -6.446 5.993 3.895 1.00 0.00 H new ATOM 0 HA SER A 21 -9.021 5.227 5.145 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.619 4.361 2.658 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.393 3.102 3.601 1.00 0.00 H new ATOM 0 HG SER A 21 -9.830 4.036 2.034 1.00 0.00 H new ATOM 286 N GLU A 22 -7.962 2.997 6.104 1.00 0.00 N ATOM 287 CA GLU A 22 -7.344 2.063 7.031 1.00 0.00 C ATOM 288 C GLU A 22 -7.365 0.647 6.451 1.00 0.00 C ATOM 289 O GLU A 22 -8.380 -0.043 6.527 1.00 0.00 O ATOM 290 CB GLU A 22 -8.035 2.107 8.395 1.00 0.00 C ATOM 291 CG GLU A 22 -7.213 1.363 9.450 1.00 0.00 C ATOM 292 CD GLU A 22 -7.691 1.708 10.862 1.00 0.00 C ATOM 293 OE1 GLU A 22 -8.900 1.993 10.997 1.00 0.00 O ATOM 294 OE2 GLU A 22 -6.836 1.679 11.773 1.00 0.00 O ATOM 0 H GLU A 22 -8.924 2.771 5.849 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.305 2.359 7.177 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.175 3.143 8.702 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.026 1.660 8.319 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.294 0.288 9.287 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.160 1.623 9.345 1.00 0.00 H new ATOM 301 N LYS A 23 -6.233 0.258 5.884 1.00 0.00 N ATOM 302 CA LYS A 23 -6.109 -1.063 5.292 1.00 0.00 C ATOM 303 C LYS A 23 -4.940 -1.803 5.946 1.00 0.00 C ATOM 304 O LYS A 23 -4.194 -1.221 6.732 1.00 0.00 O ATOM 305 CB LYS A 23 -5.996 -0.959 3.769 1.00 0.00 C ATOM 306 CG LYS A 23 -7.372 -0.759 3.130 1.00 0.00 C ATOM 307 CD LYS A 23 -7.915 -2.076 2.573 1.00 0.00 C ATOM 308 CE LYS A 23 -9.056 -1.824 1.585 1.00 0.00 C ATOM 309 NZ LYS A 23 -10.299 -2.478 2.051 1.00 0.00 N ATOM 0 H LYS A 23 -5.394 0.834 5.822 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.006 -1.652 5.483 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.344 -0.126 3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.535 -1.863 3.372 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.066 -0.360 3.870 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.301 -0.023 2.329 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.113 -2.623 2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.269 -2.703 3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.221 -0.752 1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.784 -2.206 0.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.063 -2.297 1.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.143 -3.503 2.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.566 -2.094 2.980 1.00 0.00 H new ATOM 323 N ARG A 24 -4.816 -3.075 5.597 1.00 0.00 N ATOM 324 CA ARG A 24 -3.751 -3.900 6.140 1.00 0.00 C ATOM 325 C ARG A 24 -3.160 -4.792 5.046 1.00 0.00 C ATOM 326 O ARG A 24 -3.877 -5.249 4.157 1.00 0.00 O ATOM 327 CB ARG A 24 -4.263 -4.779 7.283 1.00 0.00 C ATOM 328 CG ARG A 24 -3.200 -5.790 7.715 1.00 0.00 C ATOM 329 CD ARG A 24 -3.770 -6.787 8.726 1.00 0.00 C ATOM 330 NE ARG A 24 -3.376 -8.165 8.356 1.00 0.00 N ATOM 331 CZ ARG A 24 -3.954 -9.269 8.848 1.00 0.00 C ATOM 332 NH1 ARG A 24 -4.956 -9.165 9.732 1.00 0.00 N ATOM 333 NH2 ARG A 24 -3.531 -10.479 8.455 1.00 0.00 N ATOM 0 H ARG A 24 -5.436 -3.555 4.944 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.980 -3.233 6.527 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.541 -4.153 8.131 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.163 -5.305 6.966 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.826 -6.325 6.842 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.352 -5.266 8.155 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.405 -6.552 9.726 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.857 -6.706 8.756 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.617 -8.281 7.685 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.279 -8.245 10.031 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.395 -10.006 10.106 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.769 -10.559 7.781 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.971 -11.320 8.830 1.00 0.00 H new ATOM 347 N TYR A 25 -1.857 -5.012 5.146 1.00 0.00 N ATOM 348 CA TYR A 25 -1.161 -5.841 4.177 1.00 0.00 C ATOM 349 C TYR A 25 0.082 -6.483 4.795 1.00 0.00 C ATOM 350 O TYR A 25 0.760 -5.866 5.616 1.00 0.00 O ATOM 351 CB TYR A 25 -0.728 -4.899 3.051 1.00 0.00 C ATOM 352 CG TYR A 25 -1.856 -4.022 2.505 1.00 0.00 C ATOM 353 CD1 TYR A 25 -2.647 -4.480 1.470 1.00 0.00 C ATOM 354 CD2 TYR A 25 -2.083 -2.773 3.046 1.00 0.00 C ATOM 355 CE1 TYR A 25 -3.708 -3.654 0.956 1.00 0.00 C ATOM 356 CE2 TYR A 25 -3.144 -1.947 2.531 1.00 0.00 C ATOM 357 CZ TYR A 25 -3.905 -2.428 1.512 1.00 0.00 C ATOM 358 OH TYR A 25 -4.908 -1.649 1.026 1.00 0.00 O ATOM 0 H TYR A 25 -1.265 -4.630 5.884 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.808 -6.645 3.825 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.073 -4.257 3.417 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.314 -5.491 2.235 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -2.470 -5.457 1.046 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.465 -2.415 3.856 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.334 -4.000 0.147 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.331 -0.967 2.945 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.570 -0.744 0.863 1.00 0.00 H new ATOM 368 N SER A 26 0.343 -7.713 4.379 1.00 0.00 N ATOM 369 CA SER A 26 1.493 -8.445 4.882 1.00 0.00 C ATOM 370 C SER A 26 2.786 -7.781 4.405 1.00 0.00 C ATOM 371 O SER A 26 2.835 -7.226 3.308 1.00 0.00 O ATOM 372 CB SER A 26 1.451 -9.909 4.437 1.00 0.00 C ATOM 373 OG SER A 26 2.410 -10.704 5.129 1.00 0.00 O ATOM 0 H SER A 26 -0.222 -8.222 3.699 1.00 0.00 H new ATOM 0 HA SER A 26 1.463 -8.424 5.971 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.453 -10.312 4.610 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.637 -9.968 3.365 1.00 0.00 H new ATOM 0 HG SER A 26 2.351 -11.632 4.819 1.00 0.00 H new ATOM 379 N ARG A 27 3.802 -7.861 5.252 1.00 0.00 N ATOM 380 CA ARG A 27 5.092 -7.275 4.930 1.00 0.00 C ATOM 381 C ARG A 27 5.811 -8.120 3.878 1.00 0.00 C ATOM 382 O ARG A 27 6.903 -7.768 3.433 1.00 0.00 O ATOM 383 CB ARG A 27 5.973 -7.165 6.176 1.00 0.00 C ATOM 384 CG ARG A 27 5.580 -5.952 7.021 1.00 0.00 C ATOM 385 CD ARG A 27 6.656 -5.636 8.062 1.00 0.00 C ATOM 386 NE ARG A 27 7.034 -4.207 7.981 1.00 0.00 N ATOM 387 CZ ARG A 27 8.150 -3.694 8.517 1.00 0.00 C ATOM 388 NH1 ARG A 27 9.004 -4.490 9.175 1.00 0.00 N ATOM 389 NH2 ARG A 27 8.411 -2.386 8.395 1.00 0.00 N ATOM 0 H ARG A 27 3.758 -8.323 6.160 1.00 0.00 H new ATOM 0 HA ARG A 27 4.913 -6.275 4.536 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.881 -8.073 6.772 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.019 -7.083 5.880 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.430 -5.087 6.374 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.631 -6.145 7.521 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.286 -5.867 9.061 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.532 -6.263 7.894 1.00 0.00 H new ATOM 0 HE ARG A 27 6.406 -3.573 7.486 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.805 -5.486 9.268 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.854 -4.100 9.583 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.760 -1.781 7.894 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.260 -1.995 8.803 1.00 0.00 H new ATOM 403 N SER A 28 5.171 -9.220 3.509 1.00 0.00 N ATOM 404 CA SER A 28 5.736 -10.119 2.517 1.00 0.00 C ATOM 405 C SER A 28 5.077 -9.878 1.157 1.00 0.00 C ATOM 406 O SER A 28 5.430 -10.522 0.170 1.00 0.00 O ATOM 407 CB SER A 28 5.567 -11.580 2.938 1.00 0.00 C ATOM 408 OG SER A 28 6.386 -11.912 4.056 1.00 0.00 O ATOM 0 H SER A 28 4.266 -9.509 3.880 1.00 0.00 H new ATOM 0 HA SER A 28 6.804 -9.914 2.438 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.522 -11.767 3.186 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.817 -12.230 2.100 1.00 0.00 H new ATOM 0 HG SER A 28 6.248 -12.852 4.295 1.00 0.00 H new ATOM 414 N LEU A 29 4.132 -8.950 1.150 1.00 0.00 N ATOM 415 CA LEU A 29 3.421 -8.616 -0.073 1.00 0.00 C ATOM 416 C LEU A 29 4.329 -7.776 -0.973 1.00 0.00 C ATOM 417 O LEU A 29 4.657 -6.638 -0.641 1.00 0.00 O ATOM 418 CB LEU A 29 2.085 -7.945 0.251 1.00 0.00 C ATOM 419 CG LEU A 29 0.853 -8.852 0.215 1.00 0.00 C ATOM 420 CD1 LEU A 29 -0.433 -8.038 0.374 1.00 0.00 C ATOM 421 CD2 LEU A 29 0.837 -9.706 -1.054 1.00 0.00 C ATOM 0 H LEU A 29 3.842 -8.419 1.971 1.00 0.00 H new ATOM 0 HA LEU A 29 3.171 -9.520 -0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.156 -7.501 1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.931 -7.128 -0.454 1.00 0.00 H new ATOM 0 HG LEU A 29 0.908 -9.535 1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.293 -8.707 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.415 -7.512 1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.508 -7.315 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.049 -10.341 -1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.818 -9.057 -1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.730 -10.330 -1.084 1.00 0.00 H new ATOM 433 N THR A 30 4.709 -8.369 -2.095 1.00 0.00 N ATOM 434 CA THR A 30 5.573 -7.690 -3.045 1.00 0.00 C ATOM 435 C THR A 30 4.948 -6.362 -3.479 1.00 0.00 C ATOM 436 O THR A 30 3.767 -6.310 -3.819 1.00 0.00 O ATOM 437 CB THR A 30 5.838 -8.645 -4.210 1.00 0.00 C ATOM 438 OG1 THR A 30 4.546 -8.896 -4.756 1.00 0.00 O ATOM 439 CG2 THR A 30 6.318 -10.021 -3.742 1.00 0.00 C ATOM 0 H THR A 30 4.434 -9.313 -2.368 1.00 0.00 H new ATOM 0 HA THR A 30 6.531 -7.431 -2.593 1.00 0.00 H new ATOM 0 HB THR A 30 6.583 -8.207 -4.875 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.638 -9.372 -5.608 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.491 -10.660 -4.608 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.246 -9.911 -3.181 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.559 -10.473 -3.104 1.00 0.00 H new ATOM 447 N ILE A 31 5.768 -5.322 -3.453 1.00 0.00 N ATOM 448 CA ILE A 31 5.311 -3.998 -3.839 1.00 0.00 C ATOM 449 C ILE A 31 4.328 -4.123 -5.005 1.00 0.00 C ATOM 450 O ILE A 31 3.293 -3.459 -5.022 1.00 0.00 O ATOM 451 CB ILE A 31 6.502 -3.084 -4.133 1.00 0.00 C ATOM 452 CG1 ILE A 31 7.356 -2.876 -2.881 1.00 0.00 C ATOM 453 CG2 ILE A 31 6.039 -1.758 -4.740 1.00 0.00 C ATOM 454 CD1 ILE A 31 6.577 -2.114 -1.807 1.00 0.00 C ATOM 0 H ILE A 31 6.747 -5.369 -3.170 1.00 0.00 H new ATOM 0 HA ILE A 31 4.773 -3.526 -3.017 1.00 0.00 H new ATOM 0 HB ILE A 31 7.134 -3.573 -4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.674 -3.842 -2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.260 -2.324 -3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.905 -1.127 -4.939 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.508 -1.950 -5.672 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.374 -1.251 -4.041 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.207 -1.979 -0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.282 -1.139 -2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.687 -2.680 -1.533 1.00 0.00 H new ATOM 466 N ALA A 32 4.688 -4.978 -5.951 1.00 0.00 N ATOM 467 CA ALA A 32 3.851 -5.198 -7.118 1.00 0.00 C ATOM 468 C ALA A 32 2.488 -5.730 -6.670 1.00 0.00 C ATOM 469 O ALA A 32 1.452 -5.168 -7.021 1.00 0.00 O ATOM 470 CB ALA A 32 4.560 -6.149 -8.084 1.00 0.00 C ATOM 0 H ALA A 32 5.548 -5.526 -5.933 1.00 0.00 H new ATOM 0 HA ALA A 32 3.681 -4.262 -7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.932 -6.314 -8.959 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.508 -5.711 -8.395 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.746 -7.101 -7.587 1.00 0.00 H new ATOM 476 N GLU A 33 2.534 -6.809 -5.902 1.00 0.00 N ATOM 477 CA GLU A 33 1.316 -7.424 -5.402 1.00 0.00 C ATOM 478 C GLU A 33 0.542 -6.435 -4.529 1.00 0.00 C ATOM 479 O GLU A 33 -0.678 -6.324 -4.643 1.00 0.00 O ATOM 480 CB GLU A 33 1.627 -8.709 -4.632 1.00 0.00 C ATOM 481 CG GLU A 33 1.866 -9.878 -5.589 1.00 0.00 C ATOM 482 CD GLU A 33 0.631 -10.777 -5.676 1.00 0.00 C ATOM 483 OE1 GLU A 33 0.441 -11.574 -4.732 1.00 0.00 O ATOM 484 OE2 GLU A 33 -0.096 -10.646 -6.685 1.00 0.00 O ATOM 0 H GLU A 33 3.395 -7.273 -5.614 1.00 0.00 H new ATOM 0 HA GLU A 33 0.691 -7.692 -6.254 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.508 -8.559 -4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.800 -8.945 -3.963 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.113 -9.497 -6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.722 -10.462 -5.249 1.00 0.00 H new ATOM 491 N PHE A 34 1.282 -5.742 -3.676 1.00 0.00 N ATOM 492 CA PHE A 34 0.680 -4.765 -2.784 1.00 0.00 C ATOM 493 C PHE A 34 -0.243 -3.817 -3.552 1.00 0.00 C ATOM 494 O PHE A 34 -1.369 -3.561 -3.126 1.00 0.00 O ATOM 495 CB PHE A 34 1.824 -3.957 -2.168 1.00 0.00 C ATOM 496 CG PHE A 34 1.366 -2.896 -1.165 1.00 0.00 C ATOM 497 CD1 PHE A 34 0.121 -2.965 -0.623 1.00 0.00 C ATOM 498 CD2 PHE A 34 2.204 -1.883 -0.817 1.00 0.00 C ATOM 499 CE1 PHE A 34 -0.304 -1.981 0.308 1.00 0.00 C ATOM 500 CE2 PHE A 34 1.780 -0.899 0.114 1.00 0.00 C ATOM 501 CZ PHE A 34 0.535 -0.968 0.657 1.00 0.00 C ATOM 0 H PHE A 34 2.293 -5.838 -3.584 1.00 0.00 H new ATOM 0 HA PHE A 34 0.085 -5.272 -2.024 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.511 -4.641 -1.670 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.383 -3.470 -2.967 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.545 -3.769 -0.901 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.192 -1.827 -1.249 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.293 -2.036 0.739 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.446 -0.095 0.391 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.212 -0.219 1.365 1.00 0.00 H new ATOM 511 N LYS A 35 0.267 -3.322 -4.670 1.00 0.00 N ATOM 512 CA LYS A 35 -0.498 -2.407 -5.500 1.00 0.00 C ATOM 513 C LYS A 35 -1.735 -3.129 -6.040 1.00 0.00 C ATOM 514 O LYS A 35 -2.834 -2.576 -6.029 1.00 0.00 O ATOM 515 CB LYS A 35 0.389 -1.807 -6.593 1.00 0.00 C ATOM 516 CG LYS A 35 1.671 -1.220 -5.998 1.00 0.00 C ATOM 517 CD LYS A 35 2.838 -1.346 -6.979 1.00 0.00 C ATOM 518 CE LYS A 35 3.910 -0.293 -6.692 1.00 0.00 C ATOM 519 NZ LYS A 35 5.189 -0.667 -7.337 1.00 0.00 N ATOM 0 H LYS A 35 1.200 -3.537 -5.020 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.853 -1.562 -4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.642 -2.575 -7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.159 -1.029 -7.125 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.513 -0.171 -5.748 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.915 -1.736 -5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.273 -2.343 -6.906 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.474 -1.231 -8.000 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.581 0.679 -7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.053 -0.195 -5.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.975 -0.184 -6.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.323 -1.696 -7.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.169 -0.383 -8.337 1.00 0.00 H new ATOM 533 N CYS A 36 -1.514 -4.352 -6.499 1.00 0.00 N ATOM 534 CA CYS A 36 -2.597 -5.154 -7.042 1.00 0.00 C ATOM 535 C CYS A 36 -3.764 -5.118 -6.052 1.00 0.00 C ATOM 536 O CYS A 36 -4.921 -5.260 -6.446 1.00 0.00 O ATOM 537 CB CYS A 36 -2.146 -6.585 -7.340 1.00 0.00 C ATOM 538 SG CYS A 36 -2.498 -7.001 -9.087 1.00 0.00 S ATOM 0 H CYS A 36 -0.601 -4.807 -6.506 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.918 -4.738 -7.997 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.079 -6.688 -7.141 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.662 -7.283 -6.680 1.00 0.00 H new ATOM 0 HG CYS A 36 -3.162 -6.029 -9.639 1.00 0.00 H new ATOM 544 N LYS A 37 -3.420 -4.927 -4.787 1.00 0.00 N ATOM 545 CA LYS A 37 -4.425 -4.870 -3.739 1.00 0.00 C ATOM 546 C LYS A 37 -5.059 -3.478 -3.721 1.00 0.00 C ATOM 547 O LYS A 37 -6.282 -3.349 -3.706 1.00 0.00 O ATOM 548 CB LYS A 37 -3.822 -5.289 -2.396 1.00 0.00 C ATOM 549 CG LYS A 37 -3.175 -6.672 -2.493 1.00 0.00 C ATOM 550 CD LYS A 37 -4.083 -7.745 -1.888 1.00 0.00 C ATOM 551 CE LYS A 37 -3.610 -9.147 -2.277 1.00 0.00 C ATOM 552 NZ LYS A 37 -4.726 -10.114 -2.186 1.00 0.00 N ATOM 0 H LYS A 37 -2.460 -4.810 -4.464 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.226 -5.582 -3.939 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.078 -4.557 -2.083 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.599 -5.300 -1.632 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.971 -6.910 -3.537 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.217 -6.666 -1.974 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.092 -7.649 -0.802 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.107 -7.595 -2.230 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.213 -9.135 -3.292 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.797 -9.458 -1.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.388 -11.060 -2.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.086 -10.138 -1.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.490 -9.825 -2.830 1.00 0.00 H new ATOM 566 N LEU A 38 -4.198 -2.470 -3.723 1.00 0.00 N ATOM 567 CA LEU A 38 -4.659 -1.093 -3.708 1.00 0.00 C ATOM 568 C LEU A 38 -5.584 -0.855 -4.904 1.00 0.00 C ATOM 569 O LEU A 38 -6.463 0.003 -4.852 1.00 0.00 O ATOM 570 CB LEU A 38 -3.471 -0.131 -3.648 1.00 0.00 C ATOM 571 CG LEU A 38 -2.362 -0.495 -2.659 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.319 0.620 -2.570 1.00 0.00 C ATOM 573 CD2 LEU A 38 -2.944 -0.847 -1.289 1.00 0.00 C ATOM 0 H LEU A 38 -3.184 -2.580 -3.735 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.244 -0.897 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.034 -0.062 -4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.845 0.861 -3.395 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.851 -1.384 -3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.542 0.336 -1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.873 0.780 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.798 1.540 -2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.135 -1.102 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.495 0.008 -0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.618 -1.698 -1.388 1.00 0.00 H new ATOM 585 N GLU A 39 -5.352 -1.630 -5.953 1.00 0.00 N ATOM 586 CA GLU A 39 -6.153 -1.515 -7.160 1.00 0.00 C ATOM 587 C GLU A 39 -7.632 -1.353 -6.802 1.00 0.00 C ATOM 588 O GLU A 39 -8.375 -0.676 -7.511 1.00 0.00 O ATOM 589 CB GLU A 39 -5.940 -2.721 -8.077 1.00 0.00 C ATOM 590 CG GLU A 39 -4.599 -2.624 -8.807 1.00 0.00 C ATOM 591 CD GLU A 39 -4.553 -3.583 -9.999 1.00 0.00 C ATOM 592 OE1 GLU A 39 -4.184 -4.755 -9.770 1.00 0.00 O ATOM 593 OE2 GLU A 39 -4.888 -3.121 -11.111 1.00 0.00 O ATOM 0 H GLU A 39 -4.621 -2.340 -5.992 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.831 -0.626 -7.703 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.973 -3.639 -7.490 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.751 -2.778 -8.804 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.442 -1.602 -9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.788 -2.856 -8.117 1.00 0.00 H new ATOM 600 N LEU A 40 -8.015 -1.985 -5.703 1.00 0.00 N ATOM 601 CA LEU A 40 -9.391 -1.920 -5.242 1.00 0.00 C ATOM 602 C LEU A 40 -9.540 -0.761 -4.255 1.00 0.00 C ATOM 603 O LEU A 40 -10.576 -0.099 -4.220 1.00 0.00 O ATOM 604 CB LEU A 40 -9.832 -3.271 -4.675 1.00 0.00 C ATOM 605 CG LEU A 40 -9.935 -4.419 -5.681 1.00 0.00 C ATOM 606 CD1 LEU A 40 -9.241 -5.676 -5.153 1.00 0.00 C ATOM 607 CD2 LEU A 40 -11.394 -4.686 -6.060 1.00 0.00 C ATOM 0 H LEU A 40 -7.396 -2.545 -5.118 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.062 -1.717 -6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.130 -3.561 -3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.804 -3.143 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.414 -4.123 -6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.329 -6.476 -5.888 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.187 -5.462 -4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.711 -5.987 -4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.440 -5.506 -6.776 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.959 -4.952 -5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.824 -3.790 -6.507 1.00 0.00 H new ATOM 619 N VAL A 41 -8.488 -0.550 -3.477 1.00 0.00 N ATOM 620 CA VAL A 41 -8.488 0.518 -2.491 1.00 0.00 C ATOM 621 C VAL A 41 -8.765 1.851 -3.190 1.00 0.00 C ATOM 622 O VAL A 41 -9.442 2.717 -2.637 1.00 0.00 O ATOM 623 CB VAL A 41 -7.171 0.513 -1.714 1.00 0.00 C ATOM 624 CG1 VAL A 41 -7.118 1.672 -0.717 1.00 0.00 C ATOM 625 CG2 VAL A 41 -6.955 -0.828 -1.009 1.00 0.00 C ATOM 0 H VAL A 41 -7.630 -1.100 -3.509 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.281 0.363 -1.760 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.360 0.650 -2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.171 1.645 -0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.204 2.617 -1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.942 1.581 -0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.011 -0.805 -0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.773 -1.008 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.927 -1.628 -1.749 1.00 0.00 H new ATOM 635 N VAL A 42 -8.229 1.973 -4.395 1.00 0.00 N ATOM 636 CA VAL A 42 -8.410 3.186 -5.175 1.00 0.00 C ATOM 637 C VAL A 42 -9.275 2.876 -6.398 1.00 0.00 C ATOM 638 O VAL A 42 -9.755 3.788 -7.070 1.00 0.00 O ATOM 639 CB VAL A 42 -7.048 3.781 -5.541 1.00 0.00 C ATOM 640 CG1 VAL A 42 -6.542 4.711 -4.437 1.00 0.00 C ATOM 641 CG2 VAL A 42 -6.031 2.678 -5.838 1.00 0.00 C ATOM 0 H VAL A 42 -7.669 1.252 -4.851 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.933 3.942 -4.590 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.173 4.374 -6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.573 5.120 -4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.252 5.526 -4.294 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.440 4.151 -3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.072 3.127 -6.095 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.911 2.047 -4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.384 2.073 -6.673 1.00 0.00 H new ATOM 651 N GLY A 43 -9.449 1.587 -6.649 1.00 0.00 N ATOM 652 CA GLY A 43 -10.249 1.145 -7.779 1.00 0.00 C ATOM 653 C GLY A 43 -9.557 1.478 -9.103 1.00 0.00 C ATOM 654 O GLY A 43 -10.188 1.459 -10.158 1.00 0.00 O ATOM 0 H GLY A 43 -9.050 0.834 -6.089 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.417 0.070 -7.712 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.228 1.623 -7.746 1.00 0.00 H new ATOM 658 N SER A 44 -8.270 1.775 -9.003 1.00 0.00 N ATOM 659 CA SER A 44 -7.486 2.112 -10.179 1.00 0.00 C ATOM 660 C SER A 44 -6.501 0.984 -10.492 1.00 0.00 C ATOM 661 O SER A 44 -6.218 0.147 -9.636 1.00 0.00 O ATOM 662 CB SER A 44 -6.737 3.432 -9.983 1.00 0.00 C ATOM 663 OG SER A 44 -7.438 4.319 -9.116 1.00 0.00 O ATOM 0 H SER A 44 -7.750 1.789 -8.125 1.00 0.00 H new ATOM 0 HA SER A 44 -8.168 2.234 -11.021 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.748 3.230 -9.572 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.589 3.912 -10.950 1.00 0.00 H new ATOM 0 HG SER A 44 -6.861 5.077 -8.887 1.00 0.00 H new ATOM 669 N PRO A 45 -5.993 0.998 -11.753 1.00 0.00 N ATOM 670 CA PRO A 45 -5.045 -0.013 -12.190 1.00 0.00 C ATOM 671 C PRO A 45 -3.660 0.239 -11.591 1.00 0.00 C ATOM 672 O PRO A 45 -3.147 1.355 -11.652 1.00 0.00 O ATOM 673 CB PRO A 45 -5.059 0.063 -13.708 1.00 0.00 C ATOM 674 CG PRO A 45 -5.658 1.418 -14.051 1.00 0.00 C ATOM 675 CD PRO A 45 -6.305 1.974 -12.794 1.00 0.00 C ATOM 0 HA PRO A 45 -5.313 -1.014 -11.853 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.052 -0.033 -14.113 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.652 -0.746 -14.134 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.885 2.096 -14.414 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.395 1.319 -14.848 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.907 2.958 -12.546 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.382 2.088 -12.920 1.00 0.00 H new ATOM 683 N ALA A 46 -3.093 -0.818 -11.027 1.00 0.00 N ATOM 684 CA ALA A 46 -1.777 -0.725 -10.418 1.00 0.00 C ATOM 685 C ALA A 46 -0.745 -0.382 -11.495 1.00 0.00 C ATOM 686 O ALA A 46 0.388 -0.021 -11.180 1.00 0.00 O ATOM 687 CB ALA A 46 -1.455 -2.036 -9.698 1.00 0.00 C ATOM 0 H ALA A 46 -3.521 -1.743 -10.979 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.753 0.071 -9.673 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.468 -1.967 -9.241 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.201 -2.219 -8.925 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.466 -2.857 -10.415 1.00 0.00 H new ATOM 693 N SER A 47 -1.174 -0.507 -12.742 1.00 0.00 N ATOM 694 CA SER A 47 -0.301 -0.215 -13.866 1.00 0.00 C ATOM 695 C SER A 47 -0.365 1.276 -14.204 1.00 0.00 C ATOM 696 O SER A 47 0.280 1.730 -15.148 1.00 0.00 O ATOM 697 CB SER A 47 -0.679 -1.053 -15.089 1.00 0.00 C ATOM 698 OG SER A 47 -0.811 -0.256 -16.263 1.00 0.00 O ATOM 0 H SER A 47 -2.115 -0.807 -12.999 1.00 0.00 H new ATOM 0 HA SER A 47 0.719 -0.474 -13.583 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.081 -1.817 -15.253 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.618 -1.573 -14.896 1.00 0.00 H new ATOM 0 HG SER A 47 -0.128 0.447 -16.260 1.00 0.00 H new ATOM 704 N CYS A 48 -1.149 1.996 -13.416 1.00 0.00 N ATOM 705 CA CYS A 48 -1.306 3.426 -13.620 1.00 0.00 C ATOM 706 C CYS A 48 -1.465 4.092 -12.252 1.00 0.00 C ATOM 707 O CYS A 48 -2.238 5.037 -12.103 1.00 0.00 O ATOM 708 CB CYS A 48 -2.482 3.740 -14.547 1.00 0.00 C ATOM 709 SG CYS A 48 -2.214 2.962 -16.182 1.00 0.00 S ATOM 0 H CYS A 48 -1.683 1.616 -12.634 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.421 3.824 -14.116 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.410 3.373 -14.108 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.588 4.819 -14.661 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.031 2.424 -16.218 1.00 0.00 H new ATOM 715 N MET A 49 -0.721 3.573 -11.286 1.00 0.00 N ATOM 716 CA MET A 49 -0.770 4.105 -9.935 1.00 0.00 C ATOM 717 C MET A 49 0.592 3.985 -9.249 1.00 0.00 C ATOM 718 O MET A 49 1.235 2.939 -9.316 1.00 0.00 O ATOM 719 CB MET A 49 -1.819 3.343 -9.123 1.00 0.00 C ATOM 720 CG MET A 49 -1.173 2.599 -7.953 1.00 0.00 C ATOM 721 SD MET A 49 -2.431 2.027 -6.823 1.00 0.00 S ATOM 722 CE MET A 49 -3.231 0.801 -7.845 1.00 0.00 C ATOM 0 H MET A 49 -0.081 2.789 -11.413 1.00 0.00 H new ATOM 0 HA MET A 49 -1.037 5.160 -9.990 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.569 4.039 -8.746 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.338 2.634 -9.768 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.594 1.753 -8.324 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.477 3.257 -7.433 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.265 0.677 -7.522 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.212 1.126 -8.885 1.00 0.00 H new ATOM 0 HE3 MET A 49 -2.705 -0.149 -7.752 1.00 0.00 H new ATOM 732 N GLU A 50 0.993 5.072 -8.605 1.00 0.00 N ATOM 733 CA GLU A 50 2.267 5.101 -7.907 1.00 0.00 C ATOM 734 C GLU A 50 2.045 5.051 -6.394 1.00 0.00 C ATOM 735 O GLU A 50 0.980 5.428 -5.907 1.00 0.00 O ATOM 736 CB GLU A 50 3.079 6.337 -8.301 1.00 0.00 C ATOM 737 CG GLU A 50 4.580 6.046 -8.248 1.00 0.00 C ATOM 738 CD GLU A 50 4.998 5.108 -9.382 1.00 0.00 C ATOM 739 OE1 GLU A 50 5.202 5.626 -10.501 1.00 0.00 O ATOM 740 OE2 GLU A 50 5.103 3.893 -9.104 1.00 0.00 O ATOM 0 H GLU A 50 0.458 5.939 -8.552 1.00 0.00 H new ATOM 0 HA GLU A 50 2.840 4.221 -8.200 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.802 6.654 -9.306 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.841 7.162 -7.630 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.138 6.980 -8.320 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.833 5.597 -7.288 1.00 0.00 H new ATOM 747 N LEU A 51 3.067 4.583 -5.694 1.00 0.00 N ATOM 748 CA LEU A 51 2.997 4.478 -4.246 1.00 0.00 C ATOM 749 C LEU A 51 3.934 5.512 -3.618 1.00 0.00 C ATOM 750 O LEU A 51 4.921 5.914 -4.233 1.00 0.00 O ATOM 751 CB LEU A 51 3.277 3.042 -3.798 1.00 0.00 C ATOM 752 CG LEU A 51 2.324 1.973 -4.336 1.00 0.00 C ATOM 753 CD1 LEU A 51 2.432 0.683 -3.522 1.00 0.00 C ATOM 754 CD2 LEU A 51 0.887 2.498 -4.391 1.00 0.00 C ATOM 0 H LEU A 51 3.949 4.272 -6.102 1.00 0.00 H new ATOM 0 HA LEU A 51 1.990 4.705 -3.896 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.292 2.780 -4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.249 3.010 -2.709 1.00 0.00 H new ATOM 0 HG LEU A 51 2.619 1.734 -5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.744 -0.060 -3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.452 0.302 -3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.177 0.887 -2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.230 1.719 -4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.565 2.782 -3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.842 3.368 -5.046 1.00 0.00 H new ATOM 766 N GLU A 52 3.592 5.913 -2.403 1.00 0.00 N ATOM 767 CA GLU A 52 4.390 6.892 -1.685 1.00 0.00 C ATOM 768 C GLU A 52 4.463 6.532 -0.200 1.00 0.00 C ATOM 769 O GLU A 52 3.453 6.180 0.408 1.00 0.00 O ATOM 770 CB GLU A 52 3.832 8.303 -1.880 1.00 0.00 C ATOM 771 CG GLU A 52 4.067 8.793 -3.311 1.00 0.00 C ATOM 772 CD GLU A 52 4.389 10.288 -3.333 1.00 0.00 C ATOM 773 OE1 GLU A 52 3.593 11.049 -2.740 1.00 0.00 O ATOM 774 OE2 GLU A 52 5.423 10.637 -3.942 1.00 0.00 O ATOM 0 H GLU A 52 2.772 5.578 -1.897 1.00 0.00 H new ATOM 0 HA GLU A 52 5.401 6.877 -2.092 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.764 8.309 -1.660 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.306 8.986 -1.175 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.888 8.234 -3.760 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.181 8.599 -3.916 1.00 0.00 H new ATOM 781 N LEU A 53 5.668 6.632 0.342 1.00 0.00 N ATOM 782 CA LEU A 53 5.886 6.321 1.744 1.00 0.00 C ATOM 783 C LEU A 53 6.108 7.620 2.521 1.00 0.00 C ATOM 784 O LEU A 53 6.836 8.502 2.068 1.00 0.00 O ATOM 785 CB LEU A 53 7.024 5.310 1.898 1.00 0.00 C ATOM 786 CG LEU A 53 7.436 4.977 3.334 1.00 0.00 C ATOM 787 CD1 LEU A 53 6.274 4.351 4.106 1.00 0.00 C ATOM 788 CD2 LEU A 53 8.682 4.089 3.355 1.00 0.00 C ATOM 0 H LEU A 53 6.504 6.924 -0.165 1.00 0.00 H new ATOM 0 HA LEU A 53 5.005 5.841 2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.731 4.385 1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.897 5.693 1.370 1.00 0.00 H new ATOM 0 HG LEU A 53 7.695 5.907 3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.593 4.124 5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.438 5.050 4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.961 3.432 3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.953 3.867 4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.475 3.159 2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.507 4.608 2.866 1.00 0.00 H new ATOM 800 N TYR A 54 5.468 7.696 3.679 1.00 0.00 N ATOM 801 CA TYR A 54 5.586 8.873 4.523 1.00 0.00 C ATOM 802 C TYR A 54 6.045 8.492 5.932 1.00 0.00 C ATOM 803 O TYR A 54 5.814 7.371 6.383 1.00 0.00 O ATOM 804 CB TYR A 54 4.183 9.478 4.603 1.00 0.00 C ATOM 805 CG TYR A 54 3.635 9.956 3.257 1.00 0.00 C ATOM 806 CD1 TYR A 54 3.272 9.037 2.294 1.00 0.00 C ATOM 807 CD2 TYR A 54 3.504 11.307 3.006 1.00 0.00 C ATOM 808 CE1 TYR A 54 2.756 9.488 1.027 1.00 0.00 C ATOM 809 CE2 TYR A 54 2.988 11.758 1.740 1.00 0.00 C ATOM 810 CZ TYR A 54 2.639 10.826 0.813 1.00 0.00 C ATOM 811 OH TYR A 54 2.152 11.252 -0.384 1.00 0.00 O ATOM 0 H TYR A 54 4.866 6.962 4.052 1.00 0.00 H new ATOM 0 HA TYR A 54 6.318 9.568 4.112 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.501 8.736 5.019 1.00 0.00 H new ATOM 0 HB3 TYR A 54 4.200 10.319 5.296 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.375 7.980 2.490 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.789 12.026 3.760 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.469 8.780 0.264 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.881 12.812 1.531 1.00 0.00 H new ATOM 0 HH TYR A 54 2.818 11.089 -1.085 1.00 0.00 H new ATOM 821 N GLY A 55 6.687 9.447 6.590 1.00 0.00 N ATOM 822 CA GLY A 55 7.180 9.226 7.938 1.00 0.00 C ATOM 823 C GLY A 55 6.029 9.205 8.946 1.00 0.00 C ATOM 824 O GLY A 55 5.130 8.372 8.850 1.00 0.00 O ATOM 0 H GLY A 55 6.877 10.376 6.214 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.723 8.282 7.980 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.887 10.012 8.204 1.00 0.00 H new ATOM 828 N ALA A 56 6.095 10.133 9.890 1.00 0.00 N ATOM 829 CA ALA A 56 5.069 10.232 10.915 1.00 0.00 C ATOM 830 C ALA A 56 4.143 11.405 10.592 1.00 0.00 C ATOM 831 O ALA A 56 2.982 11.205 10.238 1.00 0.00 O ATOM 832 CB ALA A 56 5.731 10.372 12.288 1.00 0.00 C ATOM 0 H ALA A 56 6.843 10.823 9.967 1.00 0.00 H new ATOM 0 HA ALA A 56 4.460 9.328 10.937 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.962 10.446 13.057 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.355 9.499 12.482 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.348 11.270 12.304 1.00 0.00 H new ATOM 838 N ASP A 57 4.690 12.604 10.724 1.00 0.00 N ATOM 839 CA ASP A 57 3.927 13.810 10.451 1.00 0.00 C ATOM 840 C ASP A 57 3.747 13.962 8.939 1.00 0.00 C ATOM 841 O ASP A 57 4.147 14.972 8.362 1.00 0.00 O ATOM 842 CB ASP A 57 4.655 15.052 10.968 1.00 0.00 C ATOM 843 CG ASP A 57 3.749 16.235 11.316 1.00 0.00 C ATOM 844 OD1 ASP A 57 2.736 15.990 12.006 1.00 0.00 O ATOM 845 OD2 ASP A 57 4.090 17.357 10.883 1.00 0.00 O ATOM 0 H ASP A 57 5.654 12.766 11.017 1.00 0.00 H new ATOM 0 HA ASP A 57 2.964 13.721 10.955 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.225 14.777 11.855 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.374 15.374 10.214 1.00 0.00 H new ATOM 850 N ASP A 58 3.145 12.945 8.341 1.00 0.00 N ATOM 851 CA ASP A 58 2.908 12.953 6.908 1.00 0.00 C ATOM 852 C ASP A 58 4.108 13.586 6.200 1.00 0.00 C ATOM 853 O ASP A 58 3.993 14.666 5.622 1.00 0.00 O ATOM 854 CB ASP A 58 1.666 13.775 6.560 1.00 0.00 C ATOM 855 CG ASP A 58 1.021 13.436 5.215 1.00 0.00 C ATOM 856 OD1 ASP A 58 1.538 12.508 4.556 1.00 0.00 O ATOM 857 OD2 ASP A 58 0.025 14.111 4.876 1.00 0.00 O ATOM 0 H ASP A 58 2.814 12.109 8.823 1.00 0.00 H new ATOM 0 HA ASP A 58 2.761 11.922 6.585 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.925 13.635 7.347 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.936 14.831 6.560 1.00 0.00 H new ATOM 862 N LYS A 59 5.231 12.887 6.268 1.00 0.00 N ATOM 863 CA LYS A 59 6.451 13.367 5.641 1.00 0.00 C ATOM 864 C LYS A 59 6.943 12.328 4.632 1.00 0.00 C ATOM 865 O LYS A 59 7.376 11.242 5.014 1.00 0.00 O ATOM 866 CB LYS A 59 7.490 13.734 6.702 1.00 0.00 C ATOM 867 CG LYS A 59 8.909 13.620 6.142 1.00 0.00 C ATOM 868 CD LYS A 59 9.951 13.912 7.225 1.00 0.00 C ATOM 869 CE LYS A 59 10.626 15.264 6.986 1.00 0.00 C ATOM 870 NZ LYS A 59 11.253 15.758 8.232 1.00 0.00 N ATOM 0 H LYS A 59 5.322 11.992 6.748 1.00 0.00 H new ATOM 0 HA LYS A 59 6.258 14.285 5.086 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.314 14.751 7.052 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.382 13.077 7.565 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.066 12.619 5.741 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.034 14.318 5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.473 13.908 8.205 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.703 13.123 7.234 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.381 15.167 6.206 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.891 15.986 6.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.706 16.676 8.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.525 15.869 8.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.969 15.076 8.555 1.00 0.00 H new ATOM 884 N PHE A 60 6.861 12.698 3.362 1.00 0.00 N ATOM 885 CA PHE A 60 7.293 11.812 2.295 1.00 0.00 C ATOM 886 C PHE A 60 8.708 11.290 2.554 1.00 0.00 C ATOM 887 O PHE A 60 9.648 12.073 2.685 1.00 0.00 O ATOM 888 CB PHE A 60 7.293 12.633 1.004 1.00 0.00 C ATOM 889 CG PHE A 60 7.962 11.931 -0.180 1.00 0.00 C ATOM 890 CD1 PHE A 60 7.276 10.998 -0.893 1.00 0.00 C ATOM 891 CD2 PHE A 60 9.243 12.240 -0.518 1.00 0.00 C ATOM 892 CE1 PHE A 60 7.897 10.347 -1.992 1.00 0.00 C ATOM 893 CE2 PHE A 60 9.863 11.589 -1.617 1.00 0.00 C ATOM 894 CZ PHE A 60 9.177 10.656 -2.331 1.00 0.00 C ATOM 0 H PHE A 60 6.502 13.600 3.048 1.00 0.00 H new ATOM 0 HA PHE A 60 6.624 10.954 2.231 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.263 12.872 0.737 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.802 13.579 1.187 1.00 0.00 H new ATOM 0 HD1 PHE A 60 6.259 10.752 -0.624 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.788 12.980 0.049 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.352 9.606 -2.559 1.00 0.00 H new ATOM 0 HE2 PHE A 60 10.880 11.835 -1.886 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.649 10.161 -3.167 1.00 0.00 H new ATOM 904 N TYR A 61 8.815 9.971 2.621 1.00 0.00 N ATOM 905 CA TYR A 61 10.100 9.336 2.862 1.00 0.00 C ATOM 906 C TYR A 61 10.718 8.836 1.555 1.00 0.00 C ATOM 907 O TYR A 61 11.861 9.162 1.239 1.00 0.00 O ATOM 908 CB TYR A 61 9.814 8.138 3.769 1.00 0.00 C ATOM 909 CG TYR A 61 9.937 8.444 5.263 1.00 0.00 C ATOM 910 CD1 TYR A 61 9.916 9.752 5.703 1.00 0.00 C ATOM 911 CD2 TYR A 61 10.070 7.413 6.170 1.00 0.00 C ATOM 912 CE1 TYR A 61 10.032 10.041 7.109 1.00 0.00 C ATOM 913 CE2 TYR A 61 10.187 7.701 7.576 1.00 0.00 C ATOM 914 CZ TYR A 61 10.162 9.001 7.976 1.00 0.00 C ATOM 915 OH TYR A 61 10.272 9.273 9.304 1.00 0.00 O ATOM 0 H TYR A 61 8.033 9.325 2.513 1.00 0.00 H new ATOM 0 HA TYR A 61 10.799 10.042 3.310 1.00 0.00 H new ATOM 0 HB2 TYR A 61 8.807 7.773 3.565 1.00 0.00 H new ATOM 0 HB3 TYR A 61 10.502 7.332 3.516 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.813 10.559 4.993 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.086 6.390 5.825 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.016 11.060 7.467 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.292 6.903 8.296 1.00 0.00 H new ATOM 0 HH TYR A 61 10.357 8.434 9.804 1.00 0.00 H new ATOM 925 N SER A 62 9.935 8.051 0.830 1.00 0.00 N ATOM 926 CA SER A 62 10.391 7.502 -0.436 1.00 0.00 C ATOM 927 C SER A 62 9.203 6.945 -1.223 1.00 0.00 C ATOM 928 O SER A 62 8.067 6.992 -0.755 1.00 0.00 O ATOM 929 CB SER A 62 11.441 6.410 -0.217 1.00 0.00 C ATOM 930 OG SER A 62 12.715 6.955 0.114 1.00 0.00 O ATOM 0 H SER A 62 8.987 7.782 1.095 1.00 0.00 H new ATOM 0 HA SER A 62 10.855 8.305 -1.009 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.112 5.745 0.582 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.529 5.805 -1.119 1.00 0.00 H new ATOM 0 HG SER A 62 12.627 7.918 0.274 1.00 0.00 H new ATOM 936 N LYS A 63 9.507 6.431 -2.406 1.00 0.00 N ATOM 937 CA LYS A 63 8.479 5.865 -3.263 1.00 0.00 C ATOM 938 C LYS A 63 8.681 4.352 -3.365 1.00 0.00 C ATOM 939 O LYS A 63 9.806 3.882 -3.528 1.00 0.00 O ATOM 940 CB LYS A 63 8.460 6.576 -4.618 1.00 0.00 C ATOM 941 CG LYS A 63 9.028 7.992 -4.502 1.00 0.00 C ATOM 942 CD LYS A 63 10.558 7.971 -4.508 1.00 0.00 C ATOM 943 CE LYS A 63 11.113 8.771 -5.688 1.00 0.00 C ATOM 944 NZ LYS A 63 11.664 7.862 -6.718 1.00 0.00 N ATOM 0 H LYS A 63 10.451 6.395 -2.791 1.00 0.00 H new ATOM 0 HA LYS A 63 7.492 6.026 -2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.043 6.005 -5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.438 6.620 -4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.666 8.602 -5.330 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.671 8.457 -3.583 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.935 8.386 -3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.911 6.941 -4.564 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.324 9.385 -6.122 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.891 9.450 -5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.036 8.422 -7.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.431 7.294 -6.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.912 7.231 -7.062 1.00 0.00 H new ATOM 958 N LEU A 64 7.573 3.631 -3.266 1.00 0.00 N ATOM 959 CA LEU A 64 7.615 2.181 -3.345 1.00 0.00 C ATOM 960 C LEU A 64 7.578 1.754 -4.813 1.00 0.00 C ATOM 961 O LEU A 64 6.787 0.891 -5.193 1.00 0.00 O ATOM 962 CB LEU A 64 6.500 1.566 -2.497 1.00 0.00 C ATOM 963 CG LEU A 64 6.608 1.785 -0.986 1.00 0.00 C ATOM 964 CD1 LEU A 64 7.983 2.339 -0.609 1.00 0.00 C ATOM 965 CD2 LEU A 64 5.472 2.676 -0.479 1.00 0.00 C ATOM 0 H LEU A 64 6.641 4.024 -3.132 1.00 0.00 H new ATOM 0 HA LEU A 64 8.548 1.803 -2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.547 1.972 -2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.475 0.493 -2.688 1.00 0.00 H new ATOM 0 HG LEU A 64 6.504 0.819 -0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.033 2.485 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.756 1.634 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.141 3.293 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.572 2.816 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.519 3.645 -0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.514 2.203 -0.696 1.00 0.00 H new ATOM 977 N ASP A 65 8.443 2.377 -5.600 1.00 0.00 N ATOM 978 CA ASP A 65 8.519 2.072 -7.019 1.00 0.00 C ATOM 979 C ASP A 65 8.911 0.604 -7.200 1.00 0.00 C ATOM 980 O ASP A 65 8.217 -0.148 -7.884 1.00 0.00 O ATOM 981 CB ASP A 65 9.577 2.932 -7.711 1.00 0.00 C ATOM 982 CG ASP A 65 10.335 2.238 -8.845 1.00 0.00 C ATOM 983 OD1 ASP A 65 9.650 1.748 -9.768 1.00 0.00 O ATOM 984 OD2 ASP A 65 11.582 2.213 -8.761 1.00 0.00 O ATOM 0 H ASP A 65 9.097 3.092 -5.282 1.00 0.00 H new ATOM 0 HA ASP A 65 7.543 2.276 -7.461 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.094 3.824 -8.110 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.297 3.266 -6.964 1.00 0.00 H new ATOM 989 N GLN A 66 10.021 0.239 -6.576 1.00 0.00 N ATOM 990 CA GLN A 66 10.513 -1.125 -6.659 1.00 0.00 C ATOM 991 C GLN A 66 9.359 -2.117 -6.500 1.00 0.00 C ATOM 992 O GLN A 66 8.697 -2.143 -5.464 1.00 0.00 O ATOM 993 CB GLN A 66 11.603 -1.380 -5.616 1.00 0.00 C ATOM 994 CG GLN A 66 12.717 -2.258 -6.190 1.00 0.00 C ATOM 995 CD GLN A 66 13.959 -1.426 -6.512 1.00 0.00 C ATOM 996 OE1 GLN A 66 14.504 -0.726 -5.675 1.00 0.00 O ATOM 997 NE2 GLN A 66 14.376 -1.542 -7.770 1.00 0.00 N ATOM 0 H GLN A 66 10.594 0.865 -6.010 1.00 0.00 H new ATOM 0 HA GLN A 66 10.958 -1.270 -7.644 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.020 -0.430 -5.281 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.168 -1.864 -4.741 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.974 -3.040 -5.475 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.364 -2.756 -7.093 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.873 -2.146 -8.420 1.00 0.00 H new ATOM 0 HE22 GLN A 66 15.198 -1.027 -8.084 1.00 0.00 H new ATOM 1006 N GLU A 67 9.152 -2.908 -7.543 1.00 0.00 N ATOM 1007 CA GLU A 67 8.089 -3.898 -7.531 1.00 0.00 C ATOM 1008 C GLU A 67 8.587 -5.204 -6.907 1.00 0.00 C ATOM 1009 O GLU A 67 7.838 -5.888 -6.211 1.00 0.00 O ATOM 1010 CB GLU A 67 7.547 -4.137 -8.942 1.00 0.00 C ATOM 1011 CG GLU A 67 8.366 -5.203 -9.671 1.00 0.00 C ATOM 1012 CD GLU A 67 8.248 -5.043 -11.188 1.00 0.00 C ATOM 1013 OE1 GLU A 67 8.495 -3.912 -11.660 1.00 0.00 O ATOM 1014 OE2 GLU A 67 7.914 -6.055 -11.842 1.00 0.00 O ATOM 0 H GLU A 67 9.702 -2.883 -8.401 1.00 0.00 H new ATOM 0 HA GLU A 67 7.270 -3.516 -6.922 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.504 -4.449 -8.887 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.571 -3.205 -9.507 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.412 -5.129 -9.374 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.021 -6.195 -9.378 1.00 0.00 H new ATOM 1021 N ASP A 68 9.847 -5.510 -7.180 1.00 0.00 N ATOM 1022 CA ASP A 68 10.453 -6.721 -6.654 1.00 0.00 C ATOM 1023 C ASP A 68 10.624 -6.585 -5.140 1.00 0.00 C ATOM 1024 O ASP A 68 10.788 -7.581 -4.437 1.00 0.00 O ATOM 1025 CB ASP A 68 11.835 -6.956 -7.266 1.00 0.00 C ATOM 1026 CG ASP A 68 11.858 -7.909 -8.463 1.00 0.00 C ATOM 1027 OD1 ASP A 68 10.780 -8.085 -9.070 1.00 0.00 O ATOM 1028 OD2 ASP A 68 12.954 -8.441 -8.744 1.00 0.00 O ATOM 0 H ASP A 68 10.464 -4.940 -7.758 1.00 0.00 H new ATOM 0 HA ASP A 68 9.801 -7.559 -6.902 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.246 -5.996 -7.577 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.496 -7.350 -6.494 1.00 0.00 H new ATOM 1033 N ALA A 69 10.579 -5.343 -4.681 1.00 0.00 N ATOM 1034 CA ALA A 69 10.727 -5.063 -3.263 1.00 0.00 C ATOM 1035 C ALA A 69 9.519 -5.621 -2.508 1.00 0.00 C ATOM 1036 O ALA A 69 8.545 -6.054 -3.123 1.00 0.00 O ATOM 1037 CB ALA A 69 10.900 -3.557 -3.054 1.00 0.00 C ATOM 0 H ALA A 69 10.442 -4.519 -5.266 1.00 0.00 H new ATOM 0 HA ALA A 69 11.618 -5.551 -2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.011 -3.348 -1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.788 -3.216 -3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.024 -3.033 -3.437 1.00 0.00 H new ATOM 1043 N LEU A 70 9.621 -5.592 -1.188 1.00 0.00 N ATOM 1044 CA LEU A 70 8.548 -6.090 -0.343 1.00 0.00 C ATOM 1045 C LEU A 70 8.270 -5.077 0.770 1.00 0.00 C ATOM 1046 O LEU A 70 9.132 -4.267 1.107 1.00 0.00 O ATOM 1047 CB LEU A 70 8.877 -7.493 0.170 1.00 0.00 C ATOM 1048 CG LEU A 70 9.467 -8.462 -0.857 1.00 0.00 C ATOM 1049 CD1 LEU A 70 10.466 -9.416 -0.200 1.00 0.00 C ATOM 1050 CD2 LEU A 70 8.360 -9.213 -1.600 1.00 0.00 C ATOM 0 H LEU A 70 10.430 -5.232 -0.682 1.00 0.00 H new ATOM 0 HA LEU A 70 7.627 -6.194 -0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.580 -7.400 0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.965 -7.934 0.574 1.00 0.00 H new ATOM 0 HG LEU A 70 10.017 -7.882 -1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.870 -10.094 -0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.278 -8.842 0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.962 -9.993 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.806 -9.895 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.763 -9.781 -0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.721 -8.499 -2.120 1.00 0.00 H new ATOM 1062 N LEU A 71 7.063 -5.157 1.310 1.00 0.00 N ATOM 1063 CA LEU A 71 6.660 -4.258 2.378 1.00 0.00 C ATOM 1064 C LEU A 71 7.410 -4.627 3.659 1.00 0.00 C ATOM 1065 O LEU A 71 7.047 -5.584 4.342 1.00 0.00 O ATOM 1066 CB LEU A 71 5.138 -4.259 2.534 1.00 0.00 C ATOM 1067 CG LEU A 71 4.425 -2.954 2.171 1.00 0.00 C ATOM 1068 CD1 LEU A 71 2.907 -3.115 2.264 1.00 0.00 C ATOM 1069 CD2 LEU A 71 4.933 -1.795 3.030 1.00 0.00 C ATOM 0 H LEU A 71 6.351 -5.831 1.028 1.00 0.00 H new ATOM 0 HA LEU A 71 6.931 -3.231 2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.730 -5.057 1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.899 -4.505 3.569 1.00 0.00 H new ATOM 0 HG LEU A 71 4.660 -2.713 1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.424 -2.174 2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.581 -3.895 1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.632 -3.392 3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.410 -0.880 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.748 -2.013 4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.003 -1.665 2.869 1.00 0.00 H new ATOM 1081 N GLY A 72 8.442 -3.848 3.948 1.00 0.00 N ATOM 1082 CA GLY A 72 9.247 -4.081 5.135 1.00 0.00 C ATOM 1083 C GLY A 72 10.684 -3.599 4.927 1.00 0.00 C ATOM 1084 O GLY A 72 11.273 -2.989 5.819 1.00 0.00 O ATOM 0 H GLY A 72 8.739 -3.054 3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.805 -3.562 5.986 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.248 -5.144 5.375 1.00 0.00 H new ATOM 1088 N SER A 73 11.207 -3.891 3.746 1.00 0.00 N ATOM 1089 CA SER A 73 12.564 -3.495 3.409 1.00 0.00 C ATOM 1090 C SER A 73 12.667 -1.969 3.362 1.00 0.00 C ATOM 1091 O SER A 73 13.760 -1.413 3.465 1.00 0.00 O ATOM 1092 CB SER A 73 12.998 -4.098 2.072 1.00 0.00 C ATOM 1093 OG SER A 73 12.936 -3.147 1.012 1.00 0.00 O ATOM 0 H SER A 73 10.715 -4.398 3.010 1.00 0.00 H new ATOM 0 HA SER A 73 13.233 -3.874 4.181 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.016 -4.478 2.159 1.00 0.00 H new ATOM 0 HB3 SER A 73 12.360 -4.949 1.834 1.00 0.00 H new ATOM 0 HG SER A 73 13.222 -3.570 0.176 1.00 0.00 H new ATOM 1099 N TYR A 74 11.515 -1.334 3.205 1.00 0.00 N ATOM 1100 CA TYR A 74 11.462 0.117 3.143 1.00 0.00 C ATOM 1101 C TYR A 74 11.270 0.719 4.536 1.00 0.00 C ATOM 1102 O TYR A 74 10.948 0.006 5.486 1.00 0.00 O ATOM 1103 CB TYR A 74 10.244 0.457 2.281 1.00 0.00 C ATOM 1104 CG TYR A 74 10.507 0.382 0.776 1.00 0.00 C ATOM 1105 CD1 TYR A 74 11.223 1.382 0.149 1.00 0.00 C ATOM 1106 CD2 TYR A 74 10.028 -0.686 0.044 1.00 0.00 C ATOM 1107 CE1 TYR A 74 11.470 1.311 -1.268 1.00 0.00 C ATOM 1108 CE2 TYR A 74 10.275 -0.757 -1.373 1.00 0.00 C ATOM 1109 CZ TYR A 74 10.984 0.245 -1.959 1.00 0.00 C ATOM 1110 OH TYR A 74 11.218 0.178 -3.297 1.00 0.00 O ATOM 0 H TYR A 74 10.611 -1.798 3.119 1.00 0.00 H new ATOM 0 HA TYR A 74 12.389 0.518 2.734 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.432 -0.225 2.532 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.904 1.462 2.531 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.598 2.218 0.721 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.468 -1.469 0.534 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.029 2.087 -1.771 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.906 -1.587 -1.957 1.00 0.00 H new ATOM 0 HH TYR A 74 11.955 0.780 -3.531 1.00 0.00 H new ATOM 1120 N PRO A 75 11.481 2.060 4.617 1.00 0.00 N ATOM 1121 CA PRO A 75 11.334 2.766 5.879 1.00 0.00 C ATOM 1122 C PRO A 75 9.858 2.942 6.240 1.00 0.00 C ATOM 1123 O PRO A 75 9.403 4.058 6.483 1.00 0.00 O ATOM 1124 CB PRO A 75 12.057 4.087 5.676 1.00 0.00 C ATOM 1125 CG PRO A 75 12.180 4.269 4.172 1.00 0.00 C ATOM 1126 CD PRO A 75 11.863 2.936 3.514 1.00 0.00 C ATOM 0 HA PRO A 75 11.760 2.219 6.720 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.500 4.910 6.125 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.039 4.071 6.149 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.493 5.040 3.823 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.186 4.595 3.908 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.055 3.035 2.789 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.727 2.544 2.978 1.00 0.00 H new ATOM 1134 N VAL A 76 9.150 1.822 6.265 1.00 0.00 N ATOM 1135 CA VAL A 76 7.735 1.838 6.593 1.00 0.00 C ATOM 1136 C VAL A 76 7.497 0.996 7.848 1.00 0.00 C ATOM 1137 O VAL A 76 8.379 0.255 8.279 1.00 0.00 O ATOM 1138 CB VAL A 76 6.914 1.365 5.392 1.00 0.00 C ATOM 1139 CG1 VAL A 76 7.070 -0.142 5.180 1.00 0.00 C ATOM 1140 CG2 VAL A 76 5.441 1.747 5.550 1.00 0.00 C ATOM 0 H VAL A 76 9.530 0.897 6.063 1.00 0.00 H new ATOM 0 HA VAL A 76 7.406 2.853 6.815 1.00 0.00 H new ATOM 0 HB VAL A 76 7.297 1.869 4.505 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.476 -0.452 4.320 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.119 -0.377 5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.726 -0.672 6.068 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.880 1.399 4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.040 1.284 6.451 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.353 2.831 5.628 1.00 0.00 H new ATOM 1150 N ASP A 77 6.301 1.139 8.400 1.00 0.00 N ATOM 1151 CA ASP A 77 5.936 0.401 9.597 1.00 0.00 C ATOM 1152 C ASP A 77 4.447 0.602 9.881 1.00 0.00 C ATOM 1153 O ASP A 77 3.849 1.574 9.420 1.00 0.00 O ATOM 1154 CB ASP A 77 6.721 0.899 10.812 1.00 0.00 C ATOM 1155 CG ASP A 77 6.505 2.373 11.161 1.00 0.00 C ATOM 1156 OD1 ASP A 77 5.337 2.811 11.079 1.00 0.00 O ATOM 1157 OD2 ASP A 77 7.513 3.029 11.502 1.00 0.00 O ATOM 0 H ASP A 77 5.572 1.755 8.040 1.00 0.00 H new ATOM 0 HA ASP A 77 6.164 -0.651 9.427 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.448 0.293 11.676 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.783 0.736 10.631 1.00 0.00 H new ATOM 1162 N ASP A 78 3.890 -0.331 10.639 1.00 0.00 N ATOM 1163 CA ASP A 78 2.481 -0.268 10.990 1.00 0.00 C ATOM 1164 C ASP A 78 2.196 1.056 11.701 1.00 0.00 C ATOM 1165 O ASP A 78 2.400 1.173 12.908 1.00 0.00 O ATOM 1166 CB ASP A 78 2.098 -1.406 11.938 1.00 0.00 C ATOM 1167 CG ASP A 78 3.141 -1.734 13.008 1.00 0.00 C ATOM 1168 OD1 ASP A 78 3.223 -0.952 13.980 1.00 0.00 O ATOM 1169 OD2 ASP A 78 3.833 -2.761 12.831 1.00 0.00 O ATOM 0 H ASP A 78 4.389 -1.135 11.020 1.00 0.00 H new ATOM 0 HA ASP A 78 1.900 -0.353 10.071 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.161 -1.148 12.432 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.910 -2.303 11.348 1.00 0.00 H new ATOM 1174 N GLY A 79 1.728 2.020 10.922 1.00 0.00 N ATOM 1175 CA GLY A 79 1.413 3.332 11.462 1.00 0.00 C ATOM 1176 C GLY A 79 1.767 4.436 10.464 1.00 0.00 C ATOM 1177 O GLY A 79 1.288 5.562 10.583 1.00 0.00 O ATOM 0 H GLY A 79 1.559 1.919 9.921 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.352 3.384 11.705 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.961 3.488 12.391 1.00 0.00 H new ATOM 1181 N CYS A 80 2.603 4.073 9.502 1.00 0.00 N ATOM 1182 CA CYS A 80 3.026 5.019 8.483 1.00 0.00 C ATOM 1183 C CYS A 80 1.821 5.345 7.599 1.00 0.00 C ATOM 1184 O CYS A 80 0.695 4.963 7.913 1.00 0.00 O ATOM 1185 CB CYS A 80 4.204 4.482 7.667 1.00 0.00 C ATOM 1186 SG CYS A 80 5.777 5.139 8.331 1.00 0.00 S ATOM 0 H CYS A 80 2.998 3.138 9.407 1.00 0.00 H new ATOM 0 HA CYS A 80 3.384 5.932 8.958 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.213 3.393 7.700 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.093 4.769 6.621 1.00 0.00 H new ATOM 0 HG CYS A 80 6.045 6.278 7.764 1.00 0.00 H new ATOM 1192 N ARG A 81 2.099 6.048 6.511 1.00 0.00 N ATOM 1193 CA ARG A 81 1.051 6.429 5.579 1.00 0.00 C ATOM 1194 C ARG A 81 1.478 6.117 4.143 1.00 0.00 C ATOM 1195 O ARG A 81 2.654 6.236 3.802 1.00 0.00 O ATOM 1196 CB ARG A 81 0.727 7.920 5.694 1.00 0.00 C ATOM 1197 CG ARG A 81 -0.587 8.253 4.984 1.00 0.00 C ATOM 1198 CD ARG A 81 -1.041 9.677 5.310 1.00 0.00 C ATOM 1199 NE ARG A 81 -1.488 9.756 6.719 1.00 0.00 N ATOM 1200 CZ ARG A 81 -1.888 10.886 7.318 1.00 0.00 C ATOM 1201 NH1 ARG A 81 -1.899 12.038 6.635 1.00 0.00 N ATOM 1202 NH2 ARG A 81 -2.276 10.863 8.601 1.00 0.00 N ATOM 0 H ARG A 81 3.034 6.364 6.254 1.00 0.00 H new ATOM 0 HA ARG A 81 0.160 5.854 5.830 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.658 8.201 6.745 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.537 8.506 5.260 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.460 8.146 3.907 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.358 7.544 5.286 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.222 10.376 5.140 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.854 9.970 4.645 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.492 8.897 7.268 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.603 12.055 5.659 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.203 12.898 7.091 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.267 9.986 9.121 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.580 11.723 9.057 1.00 0.00 H new ATOM 1216 N ILE A 82 0.500 5.725 3.341 1.00 0.00 N ATOM 1217 CA ILE A 82 0.759 5.395 1.950 1.00 0.00 C ATOM 1218 C ILE A 82 -0.160 6.226 1.052 1.00 0.00 C ATOM 1219 O ILE A 82 -1.382 6.123 1.146 1.00 0.00 O ATOM 1220 CB ILE A 82 0.638 3.886 1.725 1.00 0.00 C ATOM 1221 CG1 ILE A 82 1.676 3.124 2.552 1.00 0.00 C ATOM 1222 CG2 ILE A 82 0.728 3.544 0.237 1.00 0.00 C ATOM 1223 CD1 ILE A 82 3.024 3.076 1.831 1.00 0.00 C ATOM 0 H ILE A 82 -0.474 5.628 3.628 1.00 0.00 H new ATOM 0 HA ILE A 82 1.784 5.653 1.683 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.346 3.567 2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.796 3.604 3.523 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.323 2.110 2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.639 2.466 0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.079 4.043 -0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.688 3.880 -0.156 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.743 2.529 2.440 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.905 2.574 0.871 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.385 4.091 1.667 1.00 0.00 H new ATOM 1235 N HIS A 83 0.463 7.030 0.204 1.00 0.00 N ATOM 1236 CA HIS A 83 -0.284 7.878 -0.710 1.00 0.00 C ATOM 1237 C HIS A 83 -0.209 7.300 -2.124 1.00 0.00 C ATOM 1238 O HIS A 83 0.874 7.184 -2.694 1.00 0.00 O ATOM 1239 CB HIS A 83 0.208 9.325 -0.633 1.00 0.00 C ATOM 1240 CG HIS A 83 -0.740 10.329 -1.245 1.00 0.00 C ATOM 1241 ND1 HIS A 83 -1.881 10.772 -0.601 1.00 0.00 N ATOM 1242 CD2 HIS A 83 -0.702 10.971 -2.448 1.00 0.00 C ATOM 1243 CE1 HIS A 83 -2.496 11.641 -1.390 1.00 0.00 C ATOM 1244 NE2 HIS A 83 -1.764 11.762 -2.534 1.00 0.00 N ATOM 0 H HIS A 83 1.477 7.113 0.130 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.334 7.897 -0.419 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.373 9.587 0.412 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.172 9.397 -1.136 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.062 10.855 -3.202 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.415 12.162 -1.166 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.995 12.362 -3.326 1.00 0.00 H new ATOM 1252 N VAL A 84 -1.375 6.953 -2.650 1.00 0.00 N ATOM 1253 CA VAL A 84 -1.455 6.390 -3.987 1.00 0.00 C ATOM 1254 C VAL A 84 -1.718 7.513 -4.993 1.00 0.00 C ATOM 1255 O VAL A 84 -2.669 8.277 -4.842 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.517 5.290 -4.029 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -2.665 4.724 -5.442 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.197 4.181 -3.024 1.00 0.00 C ATOM 0 H VAL A 84 -2.272 7.051 -2.174 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.510 5.921 -4.261 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.471 5.734 -3.745 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.426 3.944 -5.444 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.961 5.521 -6.124 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.713 4.303 -5.767 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.967 3.411 -3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.229 3.741 -3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.167 4.599 -2.018 1.00 0.00 H new ATOM 1268 N ILE A 85 -0.856 7.576 -5.998 1.00 0.00 N ATOM 1269 CA ILE A 85 -0.983 8.592 -7.029 1.00 0.00 C ATOM 1270 C ILE A 85 -1.738 8.008 -8.225 1.00 0.00 C ATOM 1271 O ILE A 85 -1.169 7.256 -9.015 1.00 0.00 O ATOM 1272 CB ILE A 85 0.389 9.165 -7.388 1.00 0.00 C ATOM 1273 CG1 ILE A 85 1.045 9.821 -6.171 1.00 0.00 C ATOM 1274 CG2 ILE A 85 0.289 10.127 -8.573 1.00 0.00 C ATOM 1275 CD1 ILE A 85 2.506 10.172 -6.458 1.00 0.00 C ATOM 0 H ILE A 85 -0.068 6.940 -6.120 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.569 9.435 -6.663 1.00 0.00 H new ATOM 0 HB ILE A 85 1.033 8.341 -7.696 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.497 10.723 -5.900 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.990 9.147 -5.316 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.278 10.520 -8.807 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.105 9.597 -9.440 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.377 10.951 -8.318 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.948 10.637 -5.577 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.057 9.264 -6.704 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.555 10.866 -7.297 1.00 0.00 H new ATOM 1287 N ASP A 86 -3.007 8.375 -8.321 1.00 0.00 N ATOM 1288 CA ASP A 86 -3.845 7.897 -9.407 1.00 0.00 C ATOM 1289 C ASP A 86 -3.251 8.351 -10.742 1.00 0.00 C ATOM 1290 O ASP A 86 -3.416 9.504 -11.139 1.00 0.00 O ATOM 1291 CB ASP A 86 -5.261 8.466 -9.302 1.00 0.00 C ATOM 1292 CG ASP A 86 -6.034 8.525 -10.621 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -6.354 7.434 -11.140 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -6.287 9.660 -11.080 1.00 0.00 O ATOM 0 H ASP A 86 -3.476 8.999 -7.664 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.888 6.810 -9.346 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.827 7.862 -8.593 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.202 9.472 -8.888 1.00 0.00 H new ATOM 1299 N HIS A 87 -2.571 7.422 -11.397 1.00 0.00 N ATOM 1300 CA HIS A 87 -1.952 7.712 -12.679 1.00 0.00 C ATOM 1301 C HIS A 87 -2.873 7.252 -13.811 1.00 0.00 C ATOM 1302 O HIS A 87 -2.415 6.991 -14.922 1.00 0.00 O ATOM 1303 CB HIS A 87 -0.556 7.090 -12.761 1.00 0.00 C ATOM 1304 CG HIS A 87 0.569 8.085 -12.601 1.00 0.00 C ATOM 1305 ND1 HIS A 87 0.582 9.312 -13.242 1.00 0.00 N ATOM 1306 CD2 HIS A 87 1.718 8.021 -11.868 1.00 0.00 C ATOM 1307 CE1 HIS A 87 1.693 9.949 -12.902 1.00 0.00 C ATOM 1308 NE2 HIS A 87 2.396 9.147 -12.051 1.00 0.00 N ATOM 0 H HIS A 87 -2.435 6.468 -11.064 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.814 8.788 -12.785 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.464 6.326 -11.989 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -0.449 6.587 -13.722 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.024 7.194 -11.244 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.990 10.931 -13.239 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.295 9.375 -11.626 1.00 0.00 H new