USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 775 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 83 LYS NZ :NH3+ -159:sc= 1.29 (180deg=0) USER MOD Set 1.2: A 100 ASN : amide:sc= -2.4! C(o=-1.1!,f=-8.5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -162:sc= -0.0731 (180deg=-0.47) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -97:sc= 1.74 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -2.53 K(o=-2.5,f=-9.7!) USER MOD Single : A 15 SER OG : rot -94:sc= 1.02 USER MOD Single : A 17 MET CE :methyl 172:sc= -0.338 (180deg=-0.509) USER MOD Single : A 18 MET CE :methyl 179:sc= -0.519 (180deg=-0.523) USER MOD Single : A 26 ASN :FLIP amide:sc= -5.47! C(o=-8.1!,f=-5.5!) USER MOD Single : A 28 GLN : amide:sc= -0.81 K(o=-0.81,f=-1.8) USER MOD Single : A 30 ASN : amide:sc= 0.413 X(o=0.41,f=0.073) USER MOD Single : A 34 HIS : no HD1:sc=-0.00555 X(o=-0.0055,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0.0217 X(o=0.022,f=0) USER MOD Single : A 51 CYS SG : rot -93:sc= -0.388 USER MOD Single : A 56 THR OG1 : rot 75:sc= 1.31 USER MOD Single : A 57 SER OG : rot 180:sc= -0.468 USER MOD Single : A 59 THR OG1 : rot 78:sc= 0.69 USER MOD Single : A 62 TYR OH : rot -23:sc= -4.21! USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 173:sc= 1.65 (180deg=1.05) USER MOD Single : A 70 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.68) USER MOD Single : A 73 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.75) USER MOD Single : A 76 SER OG : rot -37:sc= 0.0726 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -32:sc= 0.915 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.852 -12.374 9.806 1.00 0.00 N ATOM 2 CA GLY A 1 20.632 -12.169 8.992 1.00 0.00 C ATOM 3 C GLY A 1 20.286 -10.704 8.844 1.00 0.00 C ATOM 4 O GLY A 1 19.467 -10.172 9.597 1.00 0.00 O ATOM 0 H1 GLY A 1 22.052 -13.392 9.881 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.656 -11.896 9.352 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.706 -11.979 10.757 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.777 -12.608 8.005 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.796 -12.694 9.454 1.00 0.00 H new ATOM 10 N SER A 2 20.906 -10.047 7.876 1.00 0.00 N ATOM 11 CA SER A 2 20.647 -8.638 7.624 1.00 0.00 C ATOM 12 C SER A 2 19.422 -8.486 6.732 1.00 0.00 C ATOM 13 O SER A 2 18.949 -9.461 6.142 1.00 0.00 O ATOM 14 CB SER A 2 21.863 -7.995 6.966 1.00 0.00 C ATOM 15 OG SER A 2 23.034 -8.239 7.726 1.00 0.00 O ATOM 0 H SER A 2 21.593 -10.468 7.251 1.00 0.00 H new ATOM 0 HA SER A 2 20.455 -8.136 8.572 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.989 -8.391 5.958 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.704 -6.921 6.869 1.00 0.00 H new ATOM 0 HG SER A 2 23.803 -7.820 7.286 1.00 0.00 H new ATOM 21 N MET A 3 18.904 -7.275 6.630 1.00 0.00 N ATOM 22 CA MET A 3 17.713 -7.040 5.835 1.00 0.00 C ATOM 23 C MET A 3 17.723 -5.647 5.230 1.00 0.00 C ATOM 24 O MET A 3 18.288 -4.709 5.796 1.00 0.00 O ATOM 25 CB MET A 3 16.443 -7.213 6.680 1.00 0.00 C ATOM 26 CG MET A 3 16.199 -6.102 7.701 1.00 0.00 C ATOM 27 SD MET A 3 17.434 -6.041 9.017 1.00 0.00 S ATOM 28 CE MET A 3 17.138 -7.603 9.841 1.00 0.00 C ATOM 0 H MET A 3 19.286 -6.445 7.084 1.00 0.00 H new ATOM 0 HA MET A 3 17.713 -7.777 5.032 1.00 0.00 H new ATOM 0 HB2 MET A 3 15.583 -7.269 6.012 1.00 0.00 H new ATOM 0 HB3 MET A 3 16.500 -8.166 7.207 1.00 0.00 H new ATOM 0 HG2 MET A 3 16.184 -5.143 7.184 1.00 0.00 H new ATOM 0 HG3 MET A 3 15.213 -6.240 8.146 1.00 0.00 H new ATOM 0 HE1 MET A 3 17.580 -7.578 10.837 1.00 0.00 H new ATOM 0 HE2 MET A 3 16.065 -7.773 9.924 1.00 0.00 H new ATOM 0 HE3 MET A 3 17.589 -8.410 9.264 1.00 0.00 H new ATOM 38 N THR A 4 17.095 -5.531 4.073 1.00 0.00 N ATOM 39 CA THR A 4 16.851 -4.243 3.459 1.00 0.00 C ATOM 40 C THR A 4 15.609 -3.648 4.082 1.00 0.00 C ATOM 41 O THR A 4 15.439 -2.433 4.176 1.00 0.00 O ATOM 42 CB THR A 4 16.668 -4.377 1.929 1.00 0.00 C ATOM 43 OG1 THR A 4 16.629 -3.084 1.307 1.00 0.00 O ATOM 44 CG2 THR A 4 15.386 -5.135 1.609 1.00 0.00 C ATOM 0 H THR A 4 16.742 -6.324 3.537 1.00 0.00 H new ATOM 0 HA THR A 4 17.710 -3.594 3.629 1.00 0.00 H new ATOM 0 HB THR A 4 17.520 -4.933 1.537 1.00 0.00 H new ATOM 0 HG1 THR A 4 16.514 -3.190 0.339 1.00 0.00 H new ATOM 0 HG21 THR A 4 15.274 -5.220 0.528 1.00 0.00 H new ATOM 0 HG22 THR A 4 15.433 -6.131 2.048 1.00 0.00 H new ATOM 0 HG23 THR A 4 14.533 -4.597 2.021 1.00 0.00 H new ATOM 52 N VAL A 5 14.782 -4.551 4.555 1.00 0.00 N ATOM 53 CA VAL A 5 13.513 -4.222 5.158 1.00 0.00 C ATOM 54 C VAL A 5 12.791 -5.510 5.558 1.00 0.00 C ATOM 55 O VAL A 5 13.110 -6.587 5.055 1.00 0.00 O ATOM 56 CB VAL A 5 12.619 -3.397 4.197 1.00 0.00 C ATOM 57 CG1 VAL A 5 11.880 -4.288 3.212 1.00 0.00 C ATOM 58 CG2 VAL A 5 11.651 -2.532 4.978 1.00 0.00 C ATOM 0 H VAL A 5 14.976 -5.552 4.531 1.00 0.00 H new ATOM 0 HA VAL A 5 13.705 -3.611 6.040 1.00 0.00 H new ATOM 0 HB VAL A 5 13.272 -2.745 3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.264 -3.673 2.556 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.601 -4.846 2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.244 -4.985 3.758 1.00 0.00 H new ATOM 0 HG21 VAL A 5 11.033 -1.961 4.285 1.00 0.00 H new ATOM 0 HG22 VAL A 5 11.014 -3.165 5.596 1.00 0.00 H new ATOM 0 HG23 VAL A 5 12.209 -1.847 5.616 1.00 0.00 H new ATOM 68 N ARG A 6 11.847 -5.382 6.472 1.00 0.00 N ATOM 69 CA ARG A 6 11.012 -6.492 6.921 1.00 0.00 C ATOM 70 C ARG A 6 9.628 -5.946 7.209 1.00 0.00 C ATOM 71 O ARG A 6 9.479 -5.056 8.050 1.00 0.00 O ATOM 72 CB ARG A 6 11.580 -7.139 8.189 1.00 0.00 C ATOM 73 CG ARG A 6 12.924 -7.809 7.993 1.00 0.00 C ATOM 74 CD ARG A 6 12.808 -9.058 7.144 1.00 0.00 C ATOM 75 NE ARG A 6 14.092 -9.740 7.005 1.00 0.00 N ATOM 76 CZ ARG A 6 14.349 -10.653 6.073 1.00 0.00 C ATOM 77 NH1 ARG A 6 13.388 -11.064 5.258 1.00 0.00 N ATOM 78 NH2 ARG A 6 15.555 -11.192 5.982 1.00 0.00 N ATOM 0 H ARG A 6 11.632 -4.497 6.931 1.00 0.00 H new ATOM 0 HA ARG A 6 10.980 -7.256 6.144 1.00 0.00 H new ATOM 0 HB2 ARG A 6 11.676 -6.376 8.962 1.00 0.00 H new ATOM 0 HB3 ARG A 6 10.868 -7.878 8.557 1.00 0.00 H new ATOM 0 HG2 ARG A 6 13.614 -7.110 7.520 1.00 0.00 H new ATOM 0 HG3 ARG A 6 13.347 -8.067 8.964 1.00 0.00 H new ATOM 0 HD2 ARG A 6 12.083 -9.737 7.593 1.00 0.00 H new ATOM 0 HD3 ARG A 6 12.428 -8.793 6.157 1.00 0.00 H new ATOM 0 HE ARG A 6 14.835 -9.502 7.662 1.00 0.00 H new ATOM 0 HH11 ARG A 6 12.447 -10.680 5.344 1.00 0.00 H new ATOM 0 HH12 ARG A 6 13.589 -11.764 4.544 1.00 0.00 H new ATOM 0 HH21 ARG A 6 16.291 -10.907 6.628 1.00 0.00 H new ATOM 0 HH22 ARG A 6 15.748 -11.892 5.266 1.00 0.00 H new ATOM 92 N TYR A 7 8.621 -6.446 6.521 1.00 0.00 N ATOM 93 CA TYR A 7 7.309 -5.843 6.613 1.00 0.00 C ATOM 94 C TYR A 7 6.254 -6.847 7.051 1.00 0.00 C ATOM 95 O TYR A 7 6.494 -8.054 7.095 1.00 0.00 O ATOM 96 CB TYR A 7 6.933 -5.214 5.275 1.00 0.00 C ATOM 97 CG TYR A 7 6.459 -6.200 4.245 1.00 0.00 C ATOM 98 CD1 TYR A 7 7.314 -7.140 3.689 1.00 0.00 C ATOM 99 CD2 TYR A 7 5.142 -6.191 3.841 1.00 0.00 C ATOM 100 CE1 TYR A 7 6.855 -8.043 2.753 1.00 0.00 C ATOM 101 CE2 TYR A 7 4.676 -7.085 2.915 1.00 0.00 C ATOM 102 CZ TYR A 7 5.531 -8.013 2.368 1.00 0.00 C ATOM 103 OH TYR A 7 5.061 -8.919 1.444 1.00 0.00 O ATOM 0 H TYR A 7 8.684 -7.255 5.902 1.00 0.00 H new ATOM 0 HA TYR A 7 7.348 -5.066 7.376 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.150 -4.474 5.441 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.798 -4.681 4.881 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.350 -7.165 3.992 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.464 -5.464 4.263 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.529 -8.770 2.324 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.639 -7.062 2.615 1.00 0.00 H new ATOM 0 HH TYR A 7 5.058 -8.508 0.555 1.00 0.00 H new ATOM 113 N GLN A 8 5.092 -6.325 7.389 1.00 0.00 N ATOM 114 CA GLN A 8 3.981 -7.131 7.838 1.00 0.00 C ATOM 115 C GLN A 8 2.681 -6.489 7.377 1.00 0.00 C ATOM 116 O GLN A 8 2.362 -5.366 7.774 1.00 0.00 O ATOM 117 CB GLN A 8 3.993 -7.226 9.360 1.00 0.00 C ATOM 118 CG GLN A 8 3.185 -8.381 9.912 1.00 0.00 C ATOM 119 CD GLN A 8 3.962 -9.682 9.926 1.00 0.00 C ATOM 120 OE1 GLN A 8 4.663 -9.985 10.892 1.00 0.00 O ATOM 121 NE2 GLN A 8 3.830 -10.467 8.874 1.00 0.00 N ATOM 0 H GLN A 8 4.894 -5.325 7.359 1.00 0.00 H new ATOM 0 HA GLN A 8 4.065 -8.133 7.418 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.024 -7.323 9.699 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.607 -6.295 9.775 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.864 -8.143 10.926 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.283 -8.507 9.313 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.239 -10.179 8.094 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.319 -11.362 8.841 1.00 0.00 H new ATOM 130 N ILE A 9 1.957 -7.171 6.512 1.00 0.00 N ATOM 131 CA ILE A 9 0.670 -6.676 6.064 1.00 0.00 C ATOM 132 C ILE A 9 -0.411 -7.031 7.072 1.00 0.00 C ATOM 133 O ILE A 9 -0.607 -8.200 7.408 1.00 0.00 O ATOM 134 CB ILE A 9 0.294 -7.225 4.676 1.00 0.00 C ATOM 135 CG1 ILE A 9 1.306 -6.735 3.642 1.00 0.00 C ATOM 136 CG2 ILE A 9 -1.119 -6.801 4.301 1.00 0.00 C ATOM 137 CD1 ILE A 9 0.951 -7.087 2.217 1.00 0.00 C ATOM 0 H ILE A 9 2.236 -8.065 6.107 1.00 0.00 H new ATOM 0 HA ILE A 9 0.749 -5.592 5.982 1.00 0.00 H new ATOM 0 HB ILE A 9 0.319 -8.314 4.701 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.399 -5.652 3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.283 -7.158 3.877 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.369 -7.198 3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.823 -7.188 5.038 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.179 -5.713 4.280 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.719 -6.704 1.545 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.887 -8.170 2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.010 -6.641 1.961 1.00 0.00 H new ATOM 149 N GLU A 10 -1.090 -6.013 7.559 1.00 0.00 N ATOM 150 CA GLU A 10 -2.126 -6.185 8.554 1.00 0.00 C ATOM 151 C GLU A 10 -3.455 -5.657 8.027 1.00 0.00 C ATOM 152 O GLU A 10 -3.510 -5.003 6.982 1.00 0.00 O ATOM 153 CB GLU A 10 -1.721 -5.440 9.820 1.00 0.00 C ATOM 154 CG GLU A 10 -1.768 -3.925 9.682 1.00 0.00 C ATOM 155 CD GLU A 10 -1.316 -3.215 10.938 1.00 0.00 C ATOM 156 OE1 GLU A 10 -2.160 -2.977 11.824 1.00 0.00 O ATOM 157 OE2 GLU A 10 -0.114 -2.898 11.047 1.00 0.00 O ATOM 0 H GLU A 10 -0.939 -5.045 7.276 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.248 -7.245 8.779 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.379 -5.742 10.635 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.711 -5.739 10.099 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.136 -3.620 8.848 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.785 -3.617 9.440 1.00 0.00 H new ATOM 164 N GLN A 11 -4.523 -5.944 8.750 1.00 0.00 N ATOM 165 CA GLN A 11 -5.841 -5.475 8.369 1.00 0.00 C ATOM 166 C GLN A 11 -6.164 -4.166 9.068 1.00 0.00 C ATOM 167 O GLN A 11 -6.039 -4.040 10.286 1.00 0.00 O ATOM 168 CB GLN A 11 -6.898 -6.538 8.677 1.00 0.00 C ATOM 169 CG GLN A 11 -8.334 -6.064 8.477 1.00 0.00 C ATOM 170 CD GLN A 11 -8.550 -5.397 7.130 1.00 0.00 C ATOM 171 OE1 GLN A 11 -9.375 -4.501 6.992 1.00 0.00 O ATOM 172 NE2 GLN A 11 -7.806 -5.821 6.131 1.00 0.00 N ATOM 0 H GLN A 11 -4.502 -6.500 9.605 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.848 -5.293 7.294 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.721 -7.406 8.041 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.776 -6.868 9.709 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.009 -6.915 8.569 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.595 -5.364 9.270 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.129 -6.569 6.281 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.906 -5.402 5.207 1.00 0.00 H new ATOM 181 N LEU A 12 -6.570 -3.197 8.261 1.00 0.00 N ATOM 182 CA LEU A 12 -6.876 -1.859 8.736 1.00 0.00 C ATOM 183 C LEU A 12 -8.148 -1.864 9.582 1.00 0.00 C ATOM 184 O LEU A 12 -8.185 -1.302 10.675 1.00 0.00 O ATOM 185 CB LEU A 12 -7.050 -0.943 7.530 1.00 0.00 C ATOM 186 CG LEU A 12 -6.703 0.532 7.726 1.00 0.00 C ATOM 187 CD1 LEU A 12 -6.202 0.815 9.136 1.00 0.00 C ATOM 188 CD2 LEU A 12 -5.658 0.936 6.705 1.00 0.00 C ATOM 0 H LEU A 12 -6.696 -3.318 7.256 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.059 -1.500 9.362 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.435 -1.331 6.718 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.088 -1.007 7.203 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.610 1.120 7.584 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.967 1.875 9.233 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.974 0.548 9.857 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.306 0.225 9.329 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.406 1.988 6.839 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.763 0.328 6.840 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.052 0.783 5.700 1.00 0.00 H new ATOM 200 N GLY A 13 -9.186 -2.510 9.071 1.00 0.00 N ATOM 201 CA GLY A 13 -10.440 -2.584 9.787 1.00 0.00 C ATOM 202 C GLY A 13 -11.303 -3.705 9.257 1.00 0.00 C ATOM 203 O GLY A 13 -11.459 -4.739 9.910 1.00 0.00 O ATOM 0 H GLY A 13 -9.180 -2.986 8.169 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.248 -2.740 10.849 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.972 -1.637 9.695 1.00 0.00 H new ATOM 207 N ASP A 14 -11.844 -3.509 8.063 1.00 0.00 N ATOM 208 CA ASP A 14 -12.645 -4.540 7.419 1.00 0.00 C ATOM 209 C ASP A 14 -12.402 -4.578 5.911 1.00 0.00 C ATOM 210 O ASP A 14 -12.418 -5.648 5.304 1.00 0.00 O ATOM 211 CB ASP A 14 -14.133 -4.320 7.704 1.00 0.00 C ATOM 212 CG ASP A 14 -14.725 -3.156 6.932 1.00 0.00 C ATOM 213 OD1 ASP A 14 -14.510 -1.997 7.337 1.00 0.00 O ATOM 214 OD2 ASP A 14 -15.416 -3.398 5.919 1.00 0.00 O ATOM 0 H ASP A 14 -11.744 -2.650 7.523 1.00 0.00 H new ATOM 0 HA ASP A 14 -12.340 -5.500 7.835 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.682 -5.228 7.456 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.270 -4.146 8.771 1.00 0.00 H new ATOM 219 N SER A 15 -12.162 -3.418 5.309 1.00 0.00 N ATOM 220 CA SER A 15 -12.004 -3.341 3.865 1.00 0.00 C ATOM 221 C SER A 15 -10.958 -2.303 3.479 1.00 0.00 C ATOM 222 O SER A 15 -11.131 -1.526 2.540 1.00 0.00 O ATOM 223 CB SER A 15 -13.347 -3.034 3.203 1.00 0.00 C ATOM 224 OG SER A 15 -14.057 -2.031 3.915 1.00 0.00 O ATOM 0 H SER A 15 -12.074 -2.526 5.796 1.00 0.00 H new ATOM 0 HA SER A 15 -11.653 -4.309 3.508 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.182 -2.706 2.177 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.947 -3.943 3.155 1.00 0.00 H new ATOM 0 HG SER A 15 -14.674 -2.454 4.548 1.00 0.00 H new ATOM 230 N ALA A 16 -9.867 -2.315 4.217 1.00 0.00 N ATOM 231 CA ALA A 16 -8.734 -1.444 3.966 1.00 0.00 C ATOM 232 C ALA A 16 -7.477 -2.154 4.435 1.00 0.00 C ATOM 233 O ALA A 16 -7.541 -3.002 5.326 1.00 0.00 O ATOM 234 CB ALA A 16 -8.907 -0.108 4.674 1.00 0.00 C ATOM 0 H ALA A 16 -9.739 -2.936 5.016 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.659 -1.230 2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.044 0.526 4.470 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.811 0.381 4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.989 -0.273 5.748 1.00 0.00 H new ATOM 240 N MET A 17 -6.339 -1.844 3.847 1.00 0.00 N ATOM 241 CA MET A 17 -5.128 -2.597 4.168 1.00 0.00 C ATOM 242 C MET A 17 -3.985 -1.697 4.620 1.00 0.00 C ATOM 243 O MET A 17 -3.701 -0.675 4.003 1.00 0.00 O ATOM 244 CB MET A 17 -4.717 -3.441 2.963 1.00 0.00 C ATOM 245 CG MET A 17 -3.450 -4.243 3.160 1.00 0.00 C ATOM 246 SD MET A 17 -3.347 -5.670 2.064 1.00 0.00 S ATOM 247 CE MET A 17 -3.438 -4.882 0.466 1.00 0.00 C ATOM 0 H MET A 17 -6.220 -1.098 3.162 1.00 0.00 H new ATOM 0 HA MET A 17 -5.354 -3.252 5.010 1.00 0.00 H new ATOM 0 HB2 MET A 17 -5.530 -4.125 2.720 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.586 -2.784 2.103 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.588 -3.598 2.991 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.397 -4.581 4.195 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.245 -5.618 -0.314 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.432 -4.457 0.326 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.693 -4.088 0.409 1.00 0.00 H new ATOM 257 N MET A 18 -3.337 -2.082 5.710 1.00 0.00 N ATOM 258 CA MET A 18 -2.185 -1.348 6.208 1.00 0.00 C ATOM 259 C MET A 18 -0.956 -2.248 6.210 1.00 0.00 C ATOM 260 O MET A 18 -1.007 -3.387 6.665 1.00 0.00 O ATOM 261 CB MET A 18 -2.448 -0.791 7.609 1.00 0.00 C ATOM 262 CG MET A 18 -1.244 -0.089 8.218 1.00 0.00 C ATOM 263 SD MET A 18 -1.590 0.650 9.827 1.00 0.00 S ATOM 264 CE MET A 18 -2.685 1.987 9.359 1.00 0.00 C ATOM 0 H MET A 18 -3.590 -2.899 6.266 1.00 0.00 H new ATOM 0 HA MET A 18 -2.003 -0.503 5.545 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.282 -0.091 7.562 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.753 -1.607 8.264 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.429 -0.805 8.322 1.00 0.00 H new ATOM 0 HG3 MET A 18 -0.901 0.688 7.535 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.001 2.528 10.251 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.162 2.668 8.688 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.560 1.580 8.853 1.00 0.00 H new ATOM 274 N ILE A 19 0.136 -1.741 5.676 1.00 0.00 N ATOM 275 CA ILE A 19 1.363 -2.520 5.555 1.00 0.00 C ATOM 276 C ILE A 19 2.519 -1.812 6.248 1.00 0.00 C ATOM 277 O ILE A 19 2.995 -0.794 5.759 1.00 0.00 O ATOM 278 CB ILE A 19 1.730 -2.717 4.071 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.570 -3.345 3.312 1.00 0.00 C ATOM 280 CG2 ILE A 19 2.961 -3.594 3.939 1.00 0.00 C ATOM 281 CD1 ILE A 19 0.421 -2.815 1.907 1.00 0.00 C ATOM 0 H ILE A 19 0.204 -0.789 5.316 1.00 0.00 H new ATOM 0 HA ILE A 19 1.190 -3.487 6.026 1.00 0.00 H new ATOM 0 HB ILE A 19 1.944 -1.738 3.643 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.713 -4.425 3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.354 -3.165 3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.205 -3.722 2.884 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.800 -3.123 4.451 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.763 -4.568 4.387 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.424 -3.304 1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.248 -1.739 1.940 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.331 -3.019 1.343 1.00 0.00 H new ATOM 293 N ARG A 20 2.981 -2.338 7.374 1.00 0.00 N ATOM 294 CA ARG A 20 4.076 -1.695 8.087 1.00 0.00 C ATOM 295 C ARG A 20 5.384 -2.439 7.840 1.00 0.00 C ATOM 296 O ARG A 20 5.427 -3.670 7.878 1.00 0.00 O ATOM 297 CB ARG A 20 3.790 -1.586 9.598 1.00 0.00 C ATOM 298 CG ARG A 20 4.065 -2.848 10.407 1.00 0.00 C ATOM 299 CD ARG A 20 2.862 -3.775 10.480 1.00 0.00 C ATOM 300 NE ARG A 20 3.108 -4.888 11.387 1.00 0.00 N ATOM 301 CZ ARG A 20 2.360 -5.179 12.453 1.00 0.00 C ATOM 302 NH1 ARG A 20 1.254 -4.490 12.707 1.00 0.00 N ATOM 303 NH2 ARG A 20 2.708 -6.180 13.251 1.00 0.00 N ATOM 0 H ARG A 20 2.624 -3.190 7.806 1.00 0.00 H new ATOM 0 HA ARG A 20 4.170 -0.681 7.699 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.391 -0.774 10.007 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.745 -1.308 9.734 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.904 -3.383 9.963 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.364 -2.569 11.417 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.989 -3.216 10.815 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.633 -4.157 9.485 1.00 0.00 H new ATOM 0 HE ARG A 20 3.910 -5.488 11.193 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.971 -3.732 12.085 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.687 -4.718 13.524 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.546 -6.725 13.049 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.138 -6.404 14.066 1.00 0.00 H new ATOM 317 N PHE A 21 6.438 -1.692 7.555 1.00 0.00 N ATOM 318 CA PHE A 21 7.756 -2.274 7.355 1.00 0.00 C ATOM 319 C PHE A 21 8.603 -2.073 8.613 1.00 0.00 C ATOM 320 O PHE A 21 8.092 -2.110 9.734 1.00 0.00 O ATOM 321 CB PHE A 21 8.471 -1.623 6.165 1.00 0.00 C ATOM 322 CG PHE A 21 7.812 -1.790 4.818 1.00 0.00 C ATOM 323 CD1 PHE A 21 6.664 -1.090 4.490 1.00 0.00 C ATOM 324 CD2 PHE A 21 8.380 -2.615 3.859 1.00 0.00 C ATOM 325 CE1 PHE A 21 6.094 -1.213 3.241 1.00 0.00 C ATOM 326 CE2 PHE A 21 7.809 -2.749 2.609 1.00 0.00 C ATOM 327 CZ PHE A 21 6.664 -2.044 2.299 1.00 0.00 C ATOM 0 H PHE A 21 6.407 -0.677 7.457 1.00 0.00 H new ATOM 0 HA PHE A 21 7.629 -3.337 7.151 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.571 -0.557 6.367 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.480 -2.032 6.106 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.209 -0.439 5.222 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.282 -3.161 4.093 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.200 -0.658 3.000 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.257 -3.404 1.876 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.215 -2.143 1.322 1.00 0.00 H new ATOM 337 N GLY A 22 9.896 -1.852 8.418 1.00 0.00 N ATOM 338 CA GLY A 22 10.784 -1.570 9.526 1.00 0.00 C ATOM 339 C GLY A 22 10.921 -0.082 9.739 1.00 0.00 C ATOM 340 O GLY A 22 10.268 0.699 9.049 1.00 0.00 O ATOM 0 H GLY A 22 10.348 -1.864 7.504 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.401 -2.038 10.433 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.764 -2.006 9.332 1.00 0.00 H new ATOM 344 N GLU A 23 11.766 0.324 10.670 1.00 0.00 N ATOM 345 CA GLU A 23 11.893 1.737 10.998 1.00 0.00 C ATOM 346 C GLU A 23 13.290 2.088 11.519 1.00 0.00 C ATOM 347 O GLU A 23 13.883 3.074 11.085 1.00 0.00 O ATOM 348 CB GLU A 23 10.819 2.145 12.025 1.00 0.00 C ATOM 349 CG GLU A 23 10.950 1.492 13.404 1.00 0.00 C ATOM 350 CD GLU A 23 10.863 -0.026 13.378 1.00 0.00 C ATOM 351 OE1 GLU A 23 11.911 -0.681 13.181 1.00 0.00 O ATOM 352 OE2 GLU A 23 9.751 -0.569 13.555 1.00 0.00 O ATOM 0 H GLU A 23 12.370 -0.296 11.209 1.00 0.00 H new ATOM 0 HA GLU A 23 11.742 2.299 10.076 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.851 3.227 12.149 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.838 1.900 11.617 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.903 1.784 13.844 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.166 1.880 14.055 1.00 0.00 H new ATOM 359 N GLU A 24 13.811 1.272 12.432 1.00 0.00 N ATOM 360 CA GLU A 24 15.053 1.587 13.138 1.00 0.00 C ATOM 361 C GLU A 24 16.245 1.767 12.199 1.00 0.00 C ATOM 362 O GLU A 24 16.874 2.823 12.189 1.00 0.00 O ATOM 363 CB GLU A 24 15.358 0.503 14.170 1.00 0.00 C ATOM 364 CG GLU A 24 14.253 0.336 15.198 1.00 0.00 C ATOM 365 CD GLU A 24 14.588 -0.685 16.262 1.00 0.00 C ATOM 366 OE1 GLU A 24 14.492 -1.897 15.979 1.00 0.00 O ATOM 367 OE2 GLU A 24 14.943 -0.280 17.387 1.00 0.00 O ATOM 0 H GLU A 24 13.391 0.383 12.702 1.00 0.00 H new ATOM 0 HA GLU A 24 14.898 2.543 13.637 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.516 -0.446 13.657 1.00 0.00 H new ATOM 0 HB3 GLU A 24 16.289 0.747 14.682 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.057 1.297 15.673 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.335 0.038 14.692 1.00 0.00 H new ATOM 374 N ILE A 25 16.557 0.748 11.413 1.00 0.00 N ATOM 375 CA ILE A 25 17.738 0.791 10.557 1.00 0.00 C ATOM 376 C ILE A 25 17.361 0.630 9.096 1.00 0.00 C ATOM 377 O ILE A 25 18.193 0.279 8.259 1.00 0.00 O ATOM 378 CB ILE A 25 18.772 -0.289 10.963 1.00 0.00 C ATOM 379 CG1 ILE A 25 18.115 -1.663 11.141 1.00 0.00 C ATOM 380 CG2 ILE A 25 19.485 0.118 12.240 1.00 0.00 C ATOM 381 CD1 ILE A 25 17.941 -2.450 9.857 1.00 0.00 C ATOM 0 H ILE A 25 16.015 -0.114 11.348 1.00 0.00 H new ATOM 0 HA ILE A 25 18.197 1.770 10.691 1.00 0.00 H new ATOM 0 HB ILE A 25 19.500 -0.369 10.155 1.00 0.00 H new ATOM 0 HG12 ILE A 25 18.716 -2.252 11.834 1.00 0.00 H new ATOM 0 HG13 ILE A 25 17.137 -1.527 11.604 1.00 0.00 H new ATOM 0 HG21 ILE A 25 20.208 -0.650 12.513 1.00 0.00 H new ATOM 0 HG22 ILE A 25 20.003 1.064 12.082 1.00 0.00 H new ATOM 0 HG23 ILE A 25 18.757 0.232 13.043 1.00 0.00 H new ATOM 0 HD11 ILE A 25 17.469 -3.407 10.078 1.00 0.00 H new ATOM 0 HD12 ILE A 25 17.313 -1.886 9.167 1.00 0.00 H new ATOM 0 HD13 ILE A 25 18.916 -2.623 9.401 1.00 0.00 H new ATOM 393 N ASN A 26 16.109 0.908 8.792 1.00 0.00 N ATOM 394 CA ASN A 26 15.585 0.660 7.463 1.00 0.00 C ATOM 395 C ASN A 26 15.511 1.943 6.650 1.00 0.00 C ATOM 396 O ASN A 26 14.597 2.750 6.815 1.00 0.00 O ATOM 397 CB ASN A 26 14.198 0.019 7.525 1.00 0.00 C ATOM 398 CG ASN A 26 14.167 -1.317 8.244 1.00 0.00 C ATOM 399 OD1 ASN A 26 13.343 -2.220 7.747 1.00 0.00 O flip ATOM 400 ND2 ASN A 26 14.871 -1.540 9.225 1.00 0.00 N flip ATOM 0 H ASN A 26 15.435 1.306 9.447 1.00 0.00 H new ATOM 0 HA ASN A 26 16.273 -0.030 6.974 1.00 0.00 H new ATOM 0 HB2 ASN A 26 13.514 0.705 8.025 1.00 0.00 H new ATOM 0 HB3 ASN A 26 13.827 -0.118 6.509 1.00 0.00 H new ATOM 0 HD21 ASN A 26 15.496 -0.816 9.580 1.00 0.00 H new ATOM 0 HD22 ASN A 26 14.831 -2.449 9.685 1.00 0.00 H new ATOM 407 N GLU A 27 16.472 2.118 5.767 1.00 0.00 N ATOM 408 CA GLU A 27 16.471 3.248 4.854 1.00 0.00 C ATOM 409 C GLU A 27 15.484 2.984 3.723 1.00 0.00 C ATOM 410 O GLU A 27 14.834 3.898 3.215 1.00 0.00 O ATOM 411 CB GLU A 27 17.874 3.466 4.282 1.00 0.00 C ATOM 412 CG GLU A 27 18.035 4.766 3.511 1.00 0.00 C ATOM 413 CD GLU A 27 17.777 5.984 4.371 1.00 0.00 C ATOM 414 OE1 GLU A 27 18.586 6.255 5.277 1.00 0.00 O ATOM 415 OE2 GLU A 27 16.770 6.682 4.141 1.00 0.00 O ATOM 0 H GLU A 27 17.269 1.490 5.660 1.00 0.00 H new ATOM 0 HA GLU A 27 16.172 4.146 5.395 1.00 0.00 H new ATOM 0 HB2 GLU A 27 18.595 3.449 5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 27 18.120 2.633 3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 27 19.044 4.820 3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 27 17.348 4.770 2.665 1.00 0.00 H new ATOM 422 N GLN A 28 15.371 1.714 3.356 1.00 0.00 N ATOM 423 CA GLN A 28 14.515 1.290 2.254 1.00 0.00 C ATOM 424 C GLN A 28 13.061 1.703 2.487 1.00 0.00 C ATOM 425 O GLN A 28 12.425 2.276 1.601 1.00 0.00 O ATOM 426 CB GLN A 28 14.623 -0.228 2.083 1.00 0.00 C ATOM 427 CG GLN A 28 14.131 -0.738 0.740 1.00 0.00 C ATOM 428 CD GLN A 28 12.622 -0.833 0.644 1.00 0.00 C ATOM 429 OE1 GLN A 28 11.932 -1.060 1.640 1.00 0.00 O ATOM 430 NE2 GLN A 28 12.100 -0.672 -0.559 1.00 0.00 N ATOM 0 H GLN A 28 15.869 0.950 3.812 1.00 0.00 H new ATOM 0 HA GLN A 28 14.851 1.783 1.342 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.664 -0.524 2.213 1.00 0.00 H new ATOM 0 HB3 GLN A 28 14.053 -0.713 2.875 1.00 0.00 H new ATOM 0 HG2 GLN A 28 14.496 -0.077 -0.046 1.00 0.00 H new ATOM 0 HG3 GLN A 28 14.561 -1.722 0.554 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.707 -0.486 -1.357 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.090 -0.734 -0.689 1.00 0.00 H new ATOM 439 N VAL A 29 12.546 1.433 3.687 1.00 0.00 N ATOM 440 CA VAL A 29 11.139 1.687 3.982 1.00 0.00 C ATOM 441 C VAL A 29 10.786 3.162 3.821 1.00 0.00 C ATOM 442 O VAL A 29 9.897 3.500 3.046 1.00 0.00 O ATOM 443 CB VAL A 29 10.728 1.200 5.397 1.00 0.00 C ATOM 444 CG1 VAL A 29 11.624 1.773 6.481 1.00 0.00 C ATOM 445 CG2 VAL A 29 9.277 1.557 5.675 1.00 0.00 C ATOM 0 H VAL A 29 13.079 1.042 4.464 1.00 0.00 H new ATOM 0 HA VAL A 29 10.574 1.108 3.252 1.00 0.00 H new ATOM 0 HB VAL A 29 10.845 0.116 5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.299 1.405 7.454 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.654 1.465 6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 29 11.563 2.861 6.466 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.001 1.210 6.671 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.151 2.638 5.620 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.636 1.079 4.934 1.00 0.00 H new ATOM 455 N ASN A 30 11.514 4.028 4.524 1.00 0.00 N ATOM 456 CA ASN A 30 11.236 5.468 4.524 1.00 0.00 C ATOM 457 C ASN A 30 11.241 6.033 3.112 1.00 0.00 C ATOM 458 O ASN A 30 10.539 7.001 2.814 1.00 0.00 O ATOM 459 CB ASN A 30 12.260 6.226 5.376 1.00 0.00 C ATOM 460 CG ASN A 30 12.119 5.947 6.859 1.00 0.00 C ATOM 461 OD1 ASN A 30 11.350 6.605 7.554 1.00 0.00 O ATOM 462 ND2 ASN A 30 12.874 4.978 7.357 1.00 0.00 N ATOM 0 H ASN A 30 12.307 3.757 5.106 1.00 0.00 H new ATOM 0 HA ASN A 30 10.243 5.602 4.954 1.00 0.00 H new ATOM 0 HB2 ASN A 30 13.265 5.953 5.055 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.149 7.296 5.201 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.828 4.756 8.352 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.500 4.454 6.746 1.00 0.00 H new ATOM 469 N GLY A 31 12.027 5.419 2.244 1.00 0.00 N ATOM 470 CA GLY A 31 12.102 5.874 0.879 1.00 0.00 C ATOM 471 C GLY A 31 10.974 5.334 0.030 1.00 0.00 C ATOM 472 O GLY A 31 10.448 6.038 -0.834 1.00 0.00 O ATOM 0 H GLY A 31 12.614 4.614 2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.078 6.964 0.860 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.056 5.568 0.449 1.00 0.00 H new ATOM 476 N ILE A 32 10.568 4.099 0.291 1.00 0.00 N ATOM 477 CA ILE A 32 9.634 3.431 -0.591 1.00 0.00 C ATOM 478 C ILE A 32 8.189 3.604 -0.147 1.00 0.00 C ATOM 479 O ILE A 32 7.309 3.599 -0.981 1.00 0.00 O ATOM 480 CB ILE A 32 9.978 1.935 -0.788 1.00 0.00 C ATOM 481 CG1 ILE A 32 10.041 1.610 -2.291 1.00 0.00 C ATOM 482 CG2 ILE A 32 8.989 1.021 -0.070 1.00 0.00 C ATOM 483 CD1 ILE A 32 8.740 1.844 -3.058 1.00 0.00 C ATOM 0 H ILE A 32 10.868 3.549 1.096 1.00 0.00 H new ATOM 0 HA ILE A 32 9.737 3.921 -1.559 1.00 0.00 H new ATOM 0 HB ILE A 32 10.955 1.751 -0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.826 2.214 -2.745 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.332 0.566 -2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.269 -0.019 -0.235 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.005 1.236 0.999 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.986 1.193 -0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.885 1.587 -4.107 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.952 1.220 -2.637 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.454 2.893 -2.978 1.00 0.00 H new ATOM 495 N VAL A 33 7.922 3.774 1.139 1.00 0.00 N ATOM 496 CA VAL A 33 6.540 4.023 1.554 1.00 0.00 C ATOM 497 C VAL A 33 6.051 5.321 0.950 1.00 0.00 C ATOM 498 O VAL A 33 4.894 5.445 0.554 1.00 0.00 O ATOM 499 CB VAL A 33 6.339 4.076 3.082 1.00 0.00 C ATOM 500 CG1 VAL A 33 6.315 2.680 3.657 1.00 0.00 C ATOM 501 CG2 VAL A 33 7.410 4.907 3.755 1.00 0.00 C ATOM 0 H VAL A 33 8.610 3.747 1.891 1.00 0.00 H new ATOM 0 HA VAL A 33 5.963 3.173 1.191 1.00 0.00 H new ATOM 0 HB VAL A 33 5.379 4.555 3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.172 2.733 4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.496 2.117 3.210 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.259 2.181 3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.236 4.922 4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.389 4.473 3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.377 5.925 3.368 1.00 0.00 H new ATOM 511 N HIS A 34 6.958 6.278 0.851 1.00 0.00 N ATOM 512 CA HIS A 34 6.637 7.563 0.276 1.00 0.00 C ATOM 513 C HIS A 34 6.456 7.433 -1.236 1.00 0.00 C ATOM 514 O HIS A 34 5.637 8.131 -1.836 1.00 0.00 O ATOM 515 CB HIS A 34 7.738 8.578 0.608 1.00 0.00 C ATOM 516 CG HIS A 34 7.527 9.943 0.019 1.00 0.00 C ATOM 517 ND1 HIS A 34 6.853 10.949 0.671 1.00 0.00 N ATOM 518 CD2 HIS A 34 7.918 10.464 -1.168 1.00 0.00 C ATOM 519 CE1 HIS A 34 6.837 12.029 -0.088 1.00 0.00 C ATOM 520 NE2 HIS A 34 7.476 11.761 -1.210 1.00 0.00 N ATOM 0 H HIS A 34 7.924 6.184 1.164 1.00 0.00 H new ATOM 0 HA HIS A 34 5.700 7.920 0.703 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.813 8.672 1.691 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.692 8.188 0.255 1.00 0.00 H new ATOM 0 HD2 HIS A 34 8.475 9.952 -1.939 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.378 12.973 0.167 1.00 0.00 H new ATOM 0 HE2 HIS A 34 7.618 12.412 -1.982 1.00 0.00 H new ATOM 529 N ALA A 35 7.215 6.525 -1.840 1.00 0.00 N ATOM 530 CA ALA A 35 7.156 6.318 -3.279 1.00 0.00 C ATOM 531 C ALA A 35 6.020 5.371 -3.652 1.00 0.00 C ATOM 532 O ALA A 35 5.406 5.519 -4.698 1.00 0.00 O ATOM 533 CB ALA A 35 8.484 5.784 -3.794 1.00 0.00 C ATOM 0 H ALA A 35 7.878 5.921 -1.354 1.00 0.00 H new ATOM 0 HA ALA A 35 6.960 7.281 -3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.423 5.635 -4.872 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.275 6.500 -3.571 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.707 4.834 -3.308 1.00 0.00 H new ATOM 539 N ALA A 36 5.735 4.412 -2.773 1.00 0.00 N ATOM 540 CA ALA A 36 4.710 3.400 -3.012 1.00 0.00 C ATOM 541 C ALA A 36 3.330 4.025 -3.092 1.00 0.00 C ATOM 542 O ALA A 36 2.426 3.472 -3.712 1.00 0.00 O ATOM 543 CB ALA A 36 4.742 2.328 -1.932 1.00 0.00 C ATOM 0 H ALA A 36 6.209 4.315 -1.875 1.00 0.00 H new ATOM 0 HA ALA A 36 4.928 2.931 -3.972 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.969 1.586 -2.133 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.718 1.843 -1.929 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.562 2.786 -0.959 1.00 0.00 H new ATOM 549 N ALA A 37 3.181 5.187 -2.475 1.00 0.00 N ATOM 550 CA ALA A 37 1.934 5.921 -2.531 1.00 0.00 C ATOM 551 C ALA A 37 1.640 6.274 -3.974 1.00 0.00 C ATOM 552 O ALA A 37 0.504 6.203 -4.435 1.00 0.00 O ATOM 553 CB ALA A 37 2.032 7.179 -1.686 1.00 0.00 C ATOM 0 H ALA A 37 3.913 5.640 -1.929 1.00 0.00 H new ATOM 0 HA ALA A 37 1.125 5.307 -2.135 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.089 7.724 -1.734 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.241 6.907 -0.651 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.836 7.810 -2.065 1.00 0.00 H new ATOM 559 N ALA A 38 2.693 6.653 -4.680 1.00 0.00 N ATOM 560 CA ALA A 38 2.602 6.917 -6.099 1.00 0.00 C ATOM 561 C ALA A 38 2.767 5.631 -6.910 1.00 0.00 C ATOM 562 O ALA A 38 2.172 5.477 -7.973 1.00 0.00 O ATOM 563 CB ALA A 38 3.629 7.952 -6.519 1.00 0.00 C ATOM 0 H ALA A 38 3.625 6.784 -4.286 1.00 0.00 H new ATOM 0 HA ALA A 38 1.609 7.317 -6.303 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.543 8.136 -7.590 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.453 8.881 -5.976 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.630 7.584 -6.293 1.00 0.00 H new ATOM 569 N TYR A 39 3.576 4.712 -6.392 1.00 0.00 N ATOM 570 CA TYR A 39 3.844 3.436 -7.053 1.00 0.00 C ATOM 571 C TYR A 39 2.537 2.703 -7.358 1.00 0.00 C ATOM 572 O TYR A 39 2.355 2.150 -8.445 1.00 0.00 O ATOM 573 CB TYR A 39 4.737 2.565 -6.167 1.00 0.00 C ATOM 574 CG TYR A 39 5.516 1.516 -6.926 1.00 0.00 C ATOM 575 CD1 TYR A 39 4.887 0.404 -7.466 1.00 0.00 C ATOM 576 CD2 TYR A 39 6.886 1.643 -7.101 1.00 0.00 C ATOM 577 CE1 TYR A 39 5.601 -0.549 -8.163 1.00 0.00 C ATOM 578 CE2 TYR A 39 7.609 0.694 -7.796 1.00 0.00 C ATOM 579 CZ TYR A 39 6.962 -0.402 -8.325 1.00 0.00 C ATOM 580 OH TYR A 39 7.678 -1.351 -9.021 1.00 0.00 O ATOM 0 H TYR A 39 4.064 4.829 -5.504 1.00 0.00 H new ATOM 0 HA TYR A 39 4.358 3.635 -7.994 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.437 3.206 -5.631 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.118 2.072 -5.417 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.821 0.282 -7.339 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.396 2.500 -6.686 1.00 0.00 H new ATOM 0 HE1 TYR A 39 5.095 -1.407 -8.580 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.675 0.810 -7.924 1.00 0.00 H new ATOM 0 HH TYR A 39 8.624 -1.096 -9.044 1.00 0.00 H new ATOM 590 N ILE A 40 1.620 2.722 -6.393 1.00 0.00 N ATOM 591 CA ILE A 40 0.354 2.021 -6.522 1.00 0.00 C ATOM 592 C ILE A 40 -0.619 2.796 -7.403 1.00 0.00 C ATOM 593 O ILE A 40 -1.428 2.205 -8.107 1.00 0.00 O ATOM 594 CB ILE A 40 -0.278 1.778 -5.135 1.00 0.00 C ATOM 595 CG1 ILE A 40 0.668 0.945 -4.277 1.00 0.00 C ATOM 596 CG2 ILE A 40 -1.625 1.079 -5.259 1.00 0.00 C ATOM 597 CD1 ILE A 40 0.383 1.055 -2.799 1.00 0.00 C ATOM 0 H ILE A 40 1.736 3.220 -5.510 1.00 0.00 H new ATOM 0 HA ILE A 40 0.557 1.060 -6.994 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.444 2.745 -4.659 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.595 -0.100 -4.578 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.694 1.261 -4.467 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.046 0.921 -4.266 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.303 1.698 -5.846 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.491 0.117 -5.753 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.091 0.439 -2.245 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.484 2.094 -2.485 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.632 0.712 -2.598 1.00 0.00 H new ATOM 609 N GLU A 41 -0.534 4.120 -7.381 1.00 0.00 N ATOM 610 CA GLU A 41 -1.460 4.932 -8.156 1.00 0.00 C ATOM 611 C GLU A 41 -1.040 4.980 -9.625 1.00 0.00 C ATOM 612 O GLU A 41 -1.865 5.218 -10.509 1.00 0.00 O ATOM 613 CB GLU A 41 -1.592 6.346 -7.573 1.00 0.00 C ATOM 614 CG GLU A 41 -0.367 7.223 -7.755 1.00 0.00 C ATOM 615 CD GLU A 41 -0.608 8.658 -7.334 1.00 0.00 C ATOM 616 OE1 GLU A 41 -0.562 8.948 -6.120 1.00 0.00 O ATOM 617 OE2 GLU A 41 -0.842 9.507 -8.216 1.00 0.00 O ATOM 0 H GLU A 41 0.155 4.647 -6.844 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.442 4.463 -8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.447 6.838 -8.038 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.810 6.266 -6.508 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.459 6.812 -7.174 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.062 7.202 -8.801 1.00 0.00 H new ATOM 624 N GLU A 42 0.243 4.750 -9.885 1.00 0.00 N ATOM 625 CA GLU A 42 0.727 4.647 -11.254 1.00 0.00 C ATOM 626 C GLU A 42 0.389 3.281 -11.838 1.00 0.00 C ATOM 627 O GLU A 42 0.128 3.158 -13.033 1.00 0.00 O ATOM 628 CB GLU A 42 2.235 4.889 -11.327 1.00 0.00 C ATOM 629 CG GLU A 42 2.638 6.315 -11.002 1.00 0.00 C ATOM 630 CD GLU A 42 4.102 6.577 -11.276 1.00 0.00 C ATOM 631 OE1 GLU A 42 4.456 6.808 -12.451 1.00 0.00 O ATOM 632 OE2 GLU A 42 4.908 6.560 -10.321 1.00 0.00 O ATOM 0 H GLU A 42 0.961 4.632 -9.170 1.00 0.00 H new ATOM 0 HA GLU A 42 0.228 5.418 -11.842 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.737 4.212 -10.636 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.586 4.640 -12.328 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.032 7.004 -11.590 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.425 6.520 -9.953 1.00 0.00 H new ATOM 639 N GLN A 43 0.390 2.256 -10.993 1.00 0.00 N ATOM 640 CA GLN A 43 0.052 0.905 -11.433 1.00 0.00 C ATOM 641 C GLN A 43 -1.051 0.321 -10.552 1.00 0.00 C ATOM 642 O GLN A 43 -0.817 -0.614 -9.783 1.00 0.00 O ATOM 643 CB GLN A 43 1.289 0.011 -11.397 1.00 0.00 C ATOM 644 CG GLN A 43 2.501 0.650 -12.049 1.00 0.00 C ATOM 645 CD GLN A 43 3.633 -0.323 -12.224 1.00 0.00 C ATOM 646 OE1 GLN A 43 3.734 -0.997 -13.248 1.00 0.00 O ATOM 647 NE2 GLN A 43 4.492 -0.407 -11.229 1.00 0.00 N ATOM 0 H GLN A 43 0.620 2.333 -10.002 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.312 0.954 -12.459 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.526 -0.231 -10.361 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.066 -0.929 -11.901 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.218 1.053 -13.021 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.837 1.490 -11.441 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.368 0.172 -10.398 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.281 -1.051 -11.289 1.00 0.00 H new ATOM 656 N PRO A 44 -2.272 0.866 -10.656 1.00 0.00 N ATOM 657 CA PRO A 44 -3.366 0.539 -9.758 1.00 0.00 C ATOM 658 C PRO A 44 -4.305 -0.534 -10.292 1.00 0.00 C ATOM 659 O PRO A 44 -4.132 -1.056 -11.398 1.00 0.00 O ATOM 660 CB PRO A 44 -4.099 1.874 -9.679 1.00 0.00 C ATOM 661 CG PRO A 44 -3.931 2.484 -11.038 1.00 0.00 C ATOM 662 CD PRO A 44 -2.695 1.863 -11.654 1.00 0.00 C ATOM 0 HA PRO A 44 -3.011 0.131 -8.812 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.152 1.733 -9.436 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.676 2.513 -8.904 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.808 2.293 -11.657 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.823 3.566 -10.964 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.916 1.399 -12.615 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.918 2.607 -11.831 1.00 0.00 H new ATOM 670 N PHE A 45 -5.295 -0.852 -9.475 1.00 0.00 N ATOM 671 CA PHE A 45 -6.388 -1.721 -9.857 1.00 0.00 C ATOM 672 C PHE A 45 -7.658 -0.879 -9.935 1.00 0.00 C ATOM 673 O PHE A 45 -7.782 0.092 -9.196 1.00 0.00 O ATOM 674 CB PHE A 45 -6.529 -2.873 -8.849 1.00 0.00 C ATOM 675 CG PHE A 45 -6.260 -2.474 -7.424 1.00 0.00 C ATOM 676 CD1 PHE A 45 -7.259 -1.920 -6.644 1.00 0.00 C ATOM 677 CD2 PHE A 45 -5.006 -2.660 -6.865 1.00 0.00 C ATOM 678 CE1 PHE A 45 -7.014 -1.559 -5.335 1.00 0.00 C ATOM 679 CE2 PHE A 45 -4.754 -2.298 -5.556 1.00 0.00 C ATOM 680 CZ PHE A 45 -5.760 -1.747 -4.790 1.00 0.00 C ATOM 0 H PHE A 45 -5.360 -0.508 -8.517 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.198 -2.173 -10.831 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.538 -3.281 -8.917 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.842 -3.672 -9.128 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.242 -1.768 -7.064 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.216 -3.093 -7.460 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.804 -1.129 -4.737 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.771 -2.446 -5.133 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.567 -1.463 -3.766 1.00 0.00 H new ATOM 690 N PRO A 46 -8.585 -1.200 -10.853 1.00 0.00 N ATOM 691 CA PRO A 46 -9.767 -0.361 -11.146 1.00 0.00 C ATOM 692 C PRO A 46 -10.477 0.214 -9.911 1.00 0.00 C ATOM 693 O PRO A 46 -10.962 1.346 -9.943 1.00 0.00 O ATOM 694 CB PRO A 46 -10.686 -1.322 -11.890 1.00 0.00 C ATOM 695 CG PRO A 46 -9.761 -2.250 -12.593 1.00 0.00 C ATOM 696 CD PRO A 46 -8.565 -2.416 -11.692 1.00 0.00 C ATOM 0 HA PRO A 46 -9.479 0.531 -11.702 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -11.340 -1.858 -11.203 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -11.328 -0.793 -12.594 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.242 -3.210 -12.782 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -9.466 -1.846 -13.561 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.641 -3.320 -11.088 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.640 -2.492 -12.264 1.00 0.00 H new ATOM 704 N GLY A 47 -10.514 -0.544 -8.821 1.00 0.00 N ATOM 705 CA GLY A 47 -11.249 -0.118 -7.643 1.00 0.00 C ATOM 706 C GLY A 47 -10.358 0.506 -6.593 1.00 0.00 C ATOM 707 O GLY A 47 -10.737 0.622 -5.434 1.00 0.00 O ATOM 0 H GLY A 47 -10.048 -1.447 -8.731 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.014 0.600 -7.937 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.765 -0.976 -7.212 1.00 0.00 H new ATOM 711 N PHE A 48 -9.160 0.876 -6.998 1.00 0.00 N ATOM 712 CA PHE A 48 -8.223 1.570 -6.121 1.00 0.00 C ATOM 713 C PHE A 48 -8.799 2.899 -5.644 1.00 0.00 C ATOM 714 O PHE A 48 -9.386 3.653 -6.421 1.00 0.00 O ATOM 715 CB PHE A 48 -6.902 1.793 -6.866 1.00 0.00 C ATOM 716 CG PHE A 48 -5.971 2.773 -6.217 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.288 2.445 -5.062 1.00 0.00 C ATOM 718 CD2 PHE A 48 -5.772 4.024 -6.780 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.424 3.347 -4.476 1.00 0.00 C ATOM 720 CE2 PHE A 48 -4.912 4.931 -6.199 1.00 0.00 C ATOM 721 CZ PHE A 48 -4.236 4.591 -5.046 1.00 0.00 C ATOM 0 H PHE A 48 -8.804 0.708 -7.939 1.00 0.00 H new ATOM 0 HA PHE A 48 -8.043 0.954 -5.240 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.390 0.836 -6.962 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.124 2.139 -7.876 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.432 1.473 -4.613 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.297 4.291 -7.685 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.895 3.081 -3.573 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.768 5.904 -6.645 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.559 5.298 -4.589 1.00 0.00 H new ATOM 731 N ILE A 49 -8.635 3.172 -4.357 1.00 0.00 N ATOM 732 CA ILE A 49 -9.143 4.397 -3.766 1.00 0.00 C ATOM 733 C ILE A 49 -8.001 5.331 -3.372 1.00 0.00 C ATOM 734 O ILE A 49 -7.896 6.440 -3.889 1.00 0.00 O ATOM 735 CB ILE A 49 -10.015 4.088 -2.533 1.00 0.00 C ATOM 736 CG1 ILE A 49 -11.263 3.306 -2.945 1.00 0.00 C ATOM 737 CG2 ILE A 49 -10.395 5.360 -1.797 1.00 0.00 C ATOM 738 CD1 ILE A 49 -12.172 4.035 -3.908 1.00 0.00 C ATOM 0 H ILE A 49 -8.152 2.557 -3.702 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.756 4.896 -4.516 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.430 3.472 -1.850 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -10.953 2.365 -3.400 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -11.831 3.055 -2.049 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.010 5.110 -0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.492 5.872 -1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -10.957 6.013 -2.465 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.030 3.406 -4.145 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.517 4.963 -3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.625 4.262 -4.823 1.00 0.00 H new ATOM 750 N GLU A 50 -7.139 4.874 -2.463 1.00 0.00 N ATOM 751 CA GLU A 50 -6.027 5.698 -1.984 1.00 0.00 C ATOM 752 C GLU A 50 -4.870 4.837 -1.515 1.00 0.00 C ATOM 753 O GLU A 50 -4.991 3.625 -1.371 1.00 0.00 O ATOM 754 CB GLU A 50 -6.407 6.597 -0.799 1.00 0.00 C ATOM 755 CG GLU A 50 -7.866 6.664 -0.451 1.00 0.00 C ATOM 756 CD GLU A 50 -8.150 7.727 0.589 1.00 0.00 C ATOM 757 OE1 GLU A 50 -7.995 8.927 0.277 1.00 0.00 O ATOM 758 OE2 GLU A 50 -8.509 7.370 1.729 1.00 0.00 O ATOM 0 H GLU A 50 -7.188 3.945 -2.046 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.751 6.315 -2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.862 6.252 0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.060 7.608 -1.013 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.445 6.873 -1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.195 5.694 -0.078 1.00 0.00 H new ATOM 765 N CYS A 51 -3.751 5.488 -1.270 1.00 0.00 N ATOM 766 CA CYS A 51 -2.641 4.879 -0.573 1.00 0.00 C ATOM 767 C CYS A 51 -1.718 5.972 -0.056 1.00 0.00 C ATOM 768 O CYS A 51 -1.158 6.744 -0.836 1.00 0.00 O ATOM 769 CB CYS A 51 -1.882 3.899 -1.473 1.00 0.00 C ATOM 770 SG CYS A 51 -1.534 4.526 -3.131 1.00 0.00 S ATOM 0 H CYS A 51 -3.587 6.455 -1.550 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.026 4.303 0.268 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -0.940 3.637 -0.991 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.462 2.980 -1.559 1.00 0.00 H new ATOM 0 HG CYS A 51 -2.485 4.164 -3.940 1.00 0.00 H new ATOM 776 N ILE A 52 -1.578 6.046 1.255 1.00 0.00 N ATOM 777 CA ILE A 52 -0.794 7.099 1.883 1.00 0.00 C ATOM 778 C ILE A 52 0.242 6.532 2.845 1.00 0.00 C ATOM 779 O ILE A 52 -0.044 5.617 3.615 1.00 0.00 O ATOM 780 CB ILE A 52 -1.684 8.124 2.630 1.00 0.00 C ATOM 781 CG1 ILE A 52 -2.815 7.443 3.422 1.00 0.00 C ATOM 782 CG2 ILE A 52 -2.249 9.130 1.639 1.00 0.00 C ATOM 783 CD1 ILE A 52 -4.036 7.081 2.596 1.00 0.00 C ATOM 0 H ILE A 52 -1.998 5.387 1.910 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.279 7.615 1.072 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.060 8.643 3.357 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.423 6.537 3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.123 8.105 4.231 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.874 9.849 2.167 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.430 9.654 1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.848 8.608 0.892 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.780 6.607 3.236 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.458 7.984 2.156 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.747 6.392 1.802 1.00 0.00 H new ATOM 795 N PRO A 53 1.469 7.067 2.800 1.00 0.00 N ATOM 796 CA PRO A 53 2.556 6.622 3.663 1.00 0.00 C ATOM 797 C PRO A 53 2.453 7.191 5.073 1.00 0.00 C ATOM 798 O PRO A 53 2.129 8.363 5.262 1.00 0.00 O ATOM 799 CB PRO A 53 3.801 7.159 2.963 1.00 0.00 C ATOM 800 CG PRO A 53 3.342 8.375 2.235 1.00 0.00 C ATOM 801 CD PRO A 53 1.890 8.155 1.896 1.00 0.00 C ATOM 0 HA PRO A 53 2.553 5.540 3.795 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.584 7.402 3.682 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.216 6.421 2.276 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.465 9.265 2.852 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.931 8.530 1.331 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.302 9.058 2.058 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.763 7.876 0.850 1.00 0.00 H new ATOM 809 N ALA A 54 2.725 6.352 6.053 1.00 0.00 N ATOM 810 CA ALA A 54 2.721 6.763 7.444 1.00 0.00 C ATOM 811 C ALA A 54 4.084 6.490 8.063 1.00 0.00 C ATOM 812 O ALA A 54 4.203 5.726 9.026 1.00 0.00 O ATOM 813 CB ALA A 54 1.617 6.043 8.208 1.00 0.00 C ATOM 0 H ALA A 54 2.954 5.369 5.909 1.00 0.00 H new ATOM 0 HA ALA A 54 2.522 7.833 7.502 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.628 6.363 9.250 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.651 6.284 7.764 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.781 4.967 8.157 1.00 0.00 H new ATOM 819 N PHE A 55 5.108 7.101 7.463 1.00 0.00 N ATOM 820 CA PHE A 55 6.499 6.986 7.913 1.00 0.00 C ATOM 821 C PHE A 55 7.069 5.589 7.641 1.00 0.00 C ATOM 822 O PHE A 55 7.983 5.432 6.837 1.00 0.00 O ATOM 823 CB PHE A 55 6.623 7.339 9.404 1.00 0.00 C ATOM 824 CG PHE A 55 8.042 7.431 9.891 1.00 0.00 C ATOM 825 CD1 PHE A 55 8.787 8.580 9.674 1.00 0.00 C ATOM 826 CD2 PHE A 55 8.632 6.373 10.566 1.00 0.00 C ATOM 827 CE1 PHE A 55 10.091 8.672 10.119 1.00 0.00 C ATOM 828 CE2 PHE A 55 9.937 6.460 11.013 1.00 0.00 C ATOM 829 CZ PHE A 55 10.667 7.611 10.790 1.00 0.00 C ATOM 0 H PHE A 55 4.995 7.696 6.642 1.00 0.00 H new ATOM 0 HA PHE A 55 7.087 7.701 7.337 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.125 8.291 9.585 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.096 6.587 9.991 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.342 9.413 9.151 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.065 5.471 10.744 1.00 0.00 H new ATOM 0 HE1 PHE A 55 10.660 9.573 9.943 1.00 0.00 H new ATOM 0 HE2 PHE A 55 10.386 5.629 11.536 1.00 0.00 H new ATOM 0 HZ PHE A 55 11.686 7.681 11.140 1.00 0.00 H new ATOM 839 N THR A 56 6.522 4.584 8.307 1.00 0.00 N ATOM 840 CA THR A 56 7.018 3.220 8.182 1.00 0.00 C ATOM 841 C THR A 56 5.940 2.280 7.636 1.00 0.00 C ATOM 842 O THR A 56 6.238 1.188 7.147 1.00 0.00 O ATOM 843 CB THR A 56 7.543 2.707 9.544 1.00 0.00 C ATOM 844 OG1 THR A 56 7.753 1.289 9.513 1.00 0.00 O ATOM 845 CG2 THR A 56 6.582 3.066 10.673 1.00 0.00 C ATOM 0 H THR A 56 5.731 4.687 8.943 1.00 0.00 H new ATOM 0 HA THR A 56 7.843 3.231 7.469 1.00 0.00 H new ATOM 0 HB THR A 56 8.498 3.197 9.732 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.570 1.090 9.009 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.976 2.693 11.618 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.473 4.149 10.727 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.610 2.612 10.481 1.00 0.00 H new ATOM 853 N SER A 57 4.694 2.711 7.703 1.00 0.00 N ATOM 854 CA SER A 57 3.592 1.901 7.217 1.00 0.00 C ATOM 855 C SER A 57 2.939 2.533 5.990 1.00 0.00 C ATOM 856 O SER A 57 2.865 3.751 5.866 1.00 0.00 O ATOM 857 CB SER A 57 2.568 1.693 8.335 1.00 0.00 C ATOM 858 OG SER A 57 2.356 2.888 9.065 1.00 0.00 O ATOM 0 H SER A 57 4.420 3.615 8.088 1.00 0.00 H new ATOM 0 HA SER A 57 3.984 0.930 6.913 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.625 1.352 7.909 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.915 0.909 9.008 1.00 0.00 H new ATOM 0 HG SER A 57 1.696 2.727 9.772 1.00 0.00 H new ATOM 864 N LEU A 58 2.496 1.693 5.078 1.00 0.00 N ATOM 865 CA LEU A 58 1.793 2.143 3.895 1.00 0.00 C ATOM 866 C LEU A 58 0.303 1.894 4.080 1.00 0.00 C ATOM 867 O LEU A 58 -0.131 0.753 4.257 1.00 0.00 O ATOM 868 CB LEU A 58 2.313 1.405 2.659 1.00 0.00 C ATOM 869 CG LEU A 58 1.683 1.817 1.326 1.00 0.00 C ATOM 870 CD1 LEU A 58 2.039 3.257 0.976 1.00 0.00 C ATOM 871 CD2 LEU A 58 2.128 0.869 0.225 1.00 0.00 C ATOM 0 H LEU A 58 2.613 0.681 5.136 1.00 0.00 H new ATOM 0 HA LEU A 58 1.964 3.209 3.749 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.390 1.558 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.151 0.337 2.802 1.00 0.00 H new ATOM 0 HG LEU A 58 0.599 1.757 1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.579 3.525 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.671 3.923 1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.122 3.355 0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.675 1.170 -0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.214 0.902 0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.815 -0.146 0.470 1.00 0.00 H new ATOM 883 N THR A 59 -0.467 2.963 4.066 1.00 0.00 N ATOM 884 CA THR A 59 -1.896 2.879 4.289 1.00 0.00 C ATOM 885 C THR A 59 -2.620 2.773 2.951 1.00 0.00 C ATOM 886 O THR A 59 -2.715 3.754 2.218 1.00 0.00 O ATOM 887 CB THR A 59 -2.378 4.131 5.043 1.00 0.00 C ATOM 888 OG1 THR A 59 -1.336 4.610 5.906 1.00 0.00 O ATOM 889 CG2 THR A 59 -3.605 3.827 5.877 1.00 0.00 C ATOM 0 H THR A 59 -0.123 3.909 3.901 1.00 0.00 H new ATOM 0 HA THR A 59 -2.115 1.994 4.886 1.00 0.00 H new ATOM 0 HB THR A 59 -2.634 4.891 4.304 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.673 5.101 5.377 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.923 4.730 6.399 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.409 3.480 5.228 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.367 3.052 6.606 1.00 0.00 H new ATOM 897 N VAL A 60 -3.127 1.590 2.633 1.00 0.00 N ATOM 898 CA VAL A 60 -3.721 1.342 1.328 1.00 0.00 C ATOM 899 C VAL A 60 -5.241 1.267 1.420 1.00 0.00 C ATOM 900 O VAL A 60 -5.799 0.501 2.212 1.00 0.00 O ATOM 901 CB VAL A 60 -3.167 0.044 0.701 1.00 0.00 C ATOM 902 CG1 VAL A 60 -3.795 -0.226 -0.655 1.00 0.00 C ATOM 903 CG2 VAL A 60 -1.654 0.129 0.579 1.00 0.00 C ATOM 0 H VAL A 60 -3.139 0.787 3.262 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.453 2.181 0.685 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.425 -0.787 1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.384 -1.146 -1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.874 -0.329 -0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.578 0.604 -1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.272 -0.791 0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.387 0.975 -0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.216 0.264 1.568 1.00 0.00 H new ATOM 913 N PHE A 61 -5.896 2.075 0.605 1.00 0.00 N ATOM 914 CA PHE A 61 -7.343 2.144 0.576 1.00 0.00 C ATOM 915 C PHE A 61 -7.859 1.781 -0.806 1.00 0.00 C ATOM 916 O PHE A 61 -7.229 2.080 -1.823 1.00 0.00 O ATOM 917 CB PHE A 61 -7.815 3.537 0.952 1.00 0.00 C ATOM 918 CG PHE A 61 -7.579 3.894 2.388 1.00 0.00 C ATOM 919 CD1 PHE A 61 -6.374 4.447 2.794 1.00 0.00 C ATOM 920 CD2 PHE A 61 -8.570 3.684 3.332 1.00 0.00 C ATOM 921 CE1 PHE A 61 -6.171 4.782 4.117 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.367 4.016 4.656 1.00 0.00 C ATOM 923 CZ PHE A 61 -7.166 4.567 5.048 1.00 0.00 C ATOM 0 H PHE A 61 -5.437 2.702 -0.056 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.736 1.431 1.301 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.307 4.265 0.319 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -8.881 3.618 0.739 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.590 4.616 2.071 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.514 3.255 3.028 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.230 5.214 4.425 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.147 3.845 5.383 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.004 4.830 6.083 1.00 0.00 H new ATOM 933 N TYR A 62 -9.018 1.164 -0.846 1.00 0.00 N ATOM 934 CA TYR A 62 -9.550 0.617 -2.082 1.00 0.00 C ATOM 935 C TYR A 62 -11.020 0.268 -1.936 1.00 0.00 C ATOM 936 O TYR A 62 -11.587 0.330 -0.844 1.00 0.00 O ATOM 937 CB TYR A 62 -8.754 -0.622 -2.497 1.00 0.00 C ATOM 938 CG TYR A 62 -8.387 -1.505 -1.333 1.00 0.00 C ATOM 939 CD1 TYR A 62 -9.360 -2.190 -0.618 1.00 0.00 C ATOM 940 CD2 TYR A 62 -7.065 -1.636 -0.933 1.00 0.00 C ATOM 941 CE1 TYR A 62 -9.025 -2.975 0.456 1.00 0.00 C ATOM 942 CE2 TYR A 62 -6.726 -2.427 0.143 1.00 0.00 C ATOM 943 CZ TYR A 62 -7.716 -3.093 0.830 1.00 0.00 C ATOM 944 OH TYR A 62 -7.398 -3.879 1.898 1.00 0.00 O ATOM 0 H TYR A 62 -9.617 1.026 -0.032 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.456 1.378 -2.857 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.339 -1.199 -3.213 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.844 -0.308 -3.008 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -10.396 -2.104 -0.912 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.291 -1.111 -1.473 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.794 -3.498 1.005 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.694 -2.524 0.445 1.00 0.00 H new ATOM 0 HH TYR A 62 -8.181 -3.973 2.480 1.00 0.00 H new ATOM 954 N ASP A 63 -11.626 -0.087 -3.046 1.00 0.00 N ATOM 955 CA ASP A 63 -13.025 -0.434 -3.081 1.00 0.00 C ATOM 956 C ASP A 63 -13.177 -1.941 -3.061 1.00 0.00 C ATOM 957 O ASP A 63 -12.795 -2.631 -4.011 1.00 0.00 O ATOM 958 CB ASP A 63 -13.679 0.129 -4.335 1.00 0.00 C ATOM 959 CG ASP A 63 -15.186 0.219 -4.195 1.00 0.00 C ATOM 960 OD1 ASP A 63 -15.806 -0.758 -3.722 1.00 0.00 O ATOM 961 OD2 ASP A 63 -15.755 1.273 -4.539 1.00 0.00 O ATOM 0 H ASP A 63 -11.160 -0.143 -3.951 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.515 -0.006 -2.206 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -13.274 1.119 -4.542 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -13.431 -0.502 -5.188 1.00 0.00 H new ATOM 966 N MET A 64 -13.736 -2.439 -1.976 1.00 0.00 N ATOM 967 CA MET A 64 -13.936 -3.868 -1.786 1.00 0.00 C ATOM 968 C MET A 64 -14.842 -4.456 -2.870 1.00 0.00 C ATOM 969 O MET A 64 -14.815 -5.658 -3.113 1.00 0.00 O ATOM 970 CB MET A 64 -14.516 -4.159 -0.396 1.00 0.00 C ATOM 971 CG MET A 64 -15.765 -3.356 -0.064 1.00 0.00 C ATOM 972 SD MET A 64 -15.407 -1.611 0.236 1.00 0.00 S ATOM 973 CE MET A 64 -17.035 -0.894 0.055 1.00 0.00 C ATOM 0 H MET A 64 -14.066 -1.867 -1.199 1.00 0.00 H new ATOM 0 HA MET A 64 -12.960 -4.346 -1.865 1.00 0.00 H new ATOM 0 HB2 MET A 64 -14.751 -5.221 -0.327 1.00 0.00 H new ATOM 0 HB3 MET A 64 -13.753 -3.952 0.355 1.00 0.00 H new ATOM 0 HG2 MET A 64 -16.477 -3.441 -0.885 1.00 0.00 H new ATOM 0 HG3 MET A 64 -16.243 -3.782 0.818 1.00 0.00 H new ATOM 0 HE1 MET A 64 -16.978 0.183 0.212 1.00 0.00 H new ATOM 0 HE2 MET A 64 -17.412 -1.095 -0.948 1.00 0.00 H new ATOM 0 HE3 MET A 64 -17.710 -1.333 0.790 1.00 0.00 H new ATOM 983 N TYR A 65 -15.629 -3.609 -3.530 1.00 0.00 N ATOM 984 CA TYR A 65 -16.529 -4.069 -4.581 1.00 0.00 C ATOM 985 C TYR A 65 -15.743 -4.497 -5.819 1.00 0.00 C ATOM 986 O TYR A 65 -16.141 -5.416 -6.535 1.00 0.00 O ATOM 987 CB TYR A 65 -17.550 -2.966 -4.935 1.00 0.00 C ATOM 988 CG TYR A 65 -17.495 -2.480 -6.374 1.00 0.00 C ATOM 989 CD1 TYR A 65 -16.625 -1.463 -6.757 1.00 0.00 C ATOM 990 CD2 TYR A 65 -18.306 -3.046 -7.348 1.00 0.00 C ATOM 991 CE1 TYR A 65 -16.566 -1.028 -8.067 1.00 0.00 C ATOM 992 CE2 TYR A 65 -18.255 -2.614 -8.658 1.00 0.00 C ATOM 993 CZ TYR A 65 -17.384 -1.608 -9.013 1.00 0.00 C ATOM 994 OH TYR A 65 -17.323 -1.189 -10.323 1.00 0.00 O ATOM 0 H TYR A 65 -15.661 -2.605 -3.355 1.00 0.00 H new ATOM 0 HA TYR A 65 -17.074 -4.938 -4.212 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.553 -3.341 -4.732 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -17.388 -2.115 -4.273 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -15.985 -1.006 -6.017 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -18.988 -3.838 -7.076 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.884 -0.239 -8.348 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -18.896 -3.063 -9.402 1.00 0.00 H new ATOM 0 HH TYR A 65 -17.964 -1.700 -10.860 1.00 0.00 H new ATOM 1004 N GLU A 66 -14.611 -3.849 -6.058 1.00 0.00 N ATOM 1005 CA GLU A 66 -13.866 -4.086 -7.282 1.00 0.00 C ATOM 1006 C GLU A 66 -12.867 -5.202 -7.064 1.00 0.00 C ATOM 1007 O GLU A 66 -12.523 -5.944 -7.981 1.00 0.00 O ATOM 1008 CB GLU A 66 -13.157 -2.818 -7.742 1.00 0.00 C ATOM 1009 CG GLU A 66 -13.429 -2.463 -9.194 1.00 0.00 C ATOM 1010 CD GLU A 66 -13.120 -3.603 -10.140 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -11.926 -3.865 -10.394 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -14.073 -4.243 -10.633 1.00 0.00 O ATOM 0 H GLU A 66 -14.194 -3.164 -5.428 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.565 -4.381 -8.064 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.469 -1.987 -7.109 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.083 -2.941 -7.601 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.475 -2.178 -9.304 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.831 -1.595 -9.470 1.00 0.00 H new ATOM 1019 N VAL A 67 -12.411 -5.320 -5.834 1.00 0.00 N ATOM 1020 CA VAL A 67 -11.507 -6.388 -5.476 1.00 0.00 C ATOM 1021 C VAL A 67 -12.283 -7.697 -5.379 1.00 0.00 C ATOM 1022 O VAL A 67 -11.766 -8.765 -5.700 1.00 0.00 O ATOM 1023 CB VAL A 67 -10.763 -6.076 -4.158 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -10.248 -4.645 -4.184 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -11.647 -6.304 -2.939 1.00 0.00 C ATOM 0 H VAL A 67 -12.652 -4.690 -5.069 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.748 -6.484 -6.253 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.920 -6.762 -4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.724 -4.430 -3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.563 -4.520 -5.023 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.087 -3.958 -4.295 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.085 -6.073 -2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.522 -5.657 -2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.967 -7.346 -2.911 1.00 0.00 H new ATOM 1035 N TYR A 68 -13.548 -7.581 -4.966 1.00 0.00 N ATOM 1036 CA TYR A 68 -14.469 -8.710 -4.899 1.00 0.00 C ATOM 1037 C TYR A 68 -14.773 -9.239 -6.296 1.00 0.00 C ATOM 1038 O TYR A 68 -15.135 -10.404 -6.461 1.00 0.00 O ATOM 1039 CB TYR A 68 -15.767 -8.291 -4.198 1.00 0.00 C ATOM 1040 CG TYR A 68 -16.681 -9.445 -3.851 1.00 0.00 C ATOM 1041 CD1 TYR A 68 -16.487 -10.172 -2.685 1.00 0.00 C ATOM 1042 CD2 TYR A 68 -17.734 -9.806 -4.684 1.00 0.00 C ATOM 1043 CE1 TYR A 68 -17.315 -11.228 -2.357 1.00 0.00 C ATOM 1044 CE2 TYR A 68 -18.567 -10.861 -4.361 1.00 0.00 C ATOM 1045 CZ TYR A 68 -18.352 -11.567 -3.197 1.00 0.00 C ATOM 1046 OH TYR A 68 -19.174 -12.624 -2.878 1.00 0.00 O ATOM 0 H TYR A 68 -13.960 -6.697 -4.668 1.00 0.00 H new ATOM 0 HA TYR A 68 -13.997 -9.507 -4.324 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -15.516 -7.752 -3.284 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -16.306 -7.595 -4.841 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -15.675 -9.908 -2.023 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -17.904 -9.254 -5.597 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -17.150 -11.785 -1.446 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -19.382 -11.130 -5.017 1.00 0.00 H new ATOM 0 HH TYR A 68 -19.856 -12.730 -3.574 1.00 0.00 H new ATOM 1056 N LYS A 69 -14.612 -8.376 -7.300 1.00 0.00 N ATOM 1057 CA LYS A 69 -14.760 -8.787 -8.696 1.00 0.00 C ATOM 1058 C LYS A 69 -13.768 -9.890 -8.985 1.00 0.00 C ATOM 1059 O LYS A 69 -14.012 -10.789 -9.789 1.00 0.00 O ATOM 1060 CB LYS A 69 -14.476 -7.617 -9.633 1.00 0.00 C ATOM 1061 CG LYS A 69 -15.426 -7.515 -10.816 1.00 0.00 C ATOM 1062 CD LYS A 69 -16.857 -7.241 -10.374 1.00 0.00 C ATOM 1063 CE LYS A 69 -16.998 -5.877 -9.711 1.00 0.00 C ATOM 1064 NZ LYS A 69 -16.634 -4.767 -10.632 1.00 0.00 N ATOM 0 H LYS A 69 -14.380 -7.391 -7.173 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.782 -9.131 -8.857 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.525 -6.690 -9.062 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.456 -7.707 -10.008 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -15.093 -6.718 -11.481 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -15.394 -8.442 -11.388 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.520 -7.295 -11.238 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -17.177 -8.017 -9.678 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -18.025 -5.744 -9.372 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -16.362 -5.837 -8.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.856 -3.856 -10.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.616 -4.810 -10.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -17.174 -4.858 -11.516 1.00 0.00 H new ATOM 1078 N HIS A 70 -12.635 -9.795 -8.313 1.00 0.00 N ATOM 1079 CA HIS A 70 -11.599 -10.782 -8.427 1.00 0.00 C ATOM 1080 C HIS A 70 -11.795 -11.845 -7.343 1.00 0.00 C ATOM 1081 O HIS A 70 -12.174 -12.971 -7.655 1.00 0.00 O ATOM 1082 CB HIS A 70 -10.226 -10.107 -8.315 1.00 0.00 C ATOM 1083 CG HIS A 70 -9.051 -11.012 -8.556 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -7.755 -10.640 -8.274 1.00 0.00 N ATOM 1085 CD2 HIS A 70 -8.974 -12.269 -9.056 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -6.936 -11.624 -8.589 1.00 0.00 C ATOM 1087 NE2 HIS A 70 -7.649 -12.622 -9.063 1.00 0.00 N ATOM 0 H HIS A 70 -12.416 -9.029 -7.676 1.00 0.00 H new ATOM 0 HA HIS A 70 -11.650 -11.272 -9.400 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -10.184 -9.284 -9.028 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.132 -9.672 -7.320 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.802 -12.879 -9.387 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.862 -11.612 -8.477 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -7.276 -13.515 -9.384 1.00 0.00 H new ATOM 1096 N LEU A 71 -11.563 -11.437 -6.081 1.00 0.00 N ATOM 1097 CA LEU A 71 -11.704 -12.288 -4.879 1.00 0.00 C ATOM 1098 C LEU A 71 -11.601 -13.789 -5.175 1.00 0.00 C ATOM 1099 O LEU A 71 -12.617 -14.487 -5.219 1.00 0.00 O ATOM 1100 CB LEU A 71 -13.035 -11.996 -4.171 1.00 0.00 C ATOM 1101 CG LEU A 71 -12.930 -11.334 -2.783 1.00 0.00 C ATOM 1102 CD1 LEU A 71 -12.263 -12.258 -1.775 1.00 0.00 C ATOM 1103 CD2 LEU A 71 -12.170 -10.025 -2.864 1.00 0.00 C ATOM 0 H LEU A 71 -11.266 -10.486 -5.861 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.865 -12.034 -4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.633 -11.351 -4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.581 -12.934 -4.064 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.946 -11.132 -2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.205 -11.760 -0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.847 -13.173 -1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.258 -12.504 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.110 -9.577 -1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.164 -10.211 -3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.689 -9.344 -3.538 1.00 0.00 H new ATOM 1115 N PRO A 72 -10.379 -14.303 -5.394 1.00 0.00 N ATOM 1116 CA PRO A 72 -10.154 -15.740 -5.620 1.00 0.00 C ATOM 1117 C PRO A 72 -10.662 -16.580 -4.451 1.00 0.00 C ATOM 1118 O PRO A 72 -10.725 -16.115 -3.316 1.00 0.00 O ATOM 1119 CB PRO A 72 -8.630 -15.848 -5.734 1.00 0.00 C ATOM 1120 CG PRO A 72 -8.177 -14.483 -6.119 1.00 0.00 C ATOM 1121 CD PRO A 72 -9.126 -13.534 -5.448 1.00 0.00 C ATOM 0 HA PRO A 72 -10.683 -16.110 -6.498 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.184 -16.160 -4.790 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.341 -16.586 -6.482 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.152 -14.305 -5.795 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.196 -14.355 -7.201 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.781 -13.254 -4.453 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.243 -12.611 -6.016 1.00 0.00 H new ATOM 1129 N GLN A 73 -11.024 -17.825 -4.749 1.00 0.00 N ATOM 1130 CA GLN A 73 -11.659 -18.720 -3.783 1.00 0.00 C ATOM 1131 C GLN A 73 -10.773 -18.993 -2.570 1.00 0.00 C ATOM 1132 O GLN A 73 -11.275 -19.248 -1.475 1.00 0.00 O ATOM 1133 CB GLN A 73 -12.028 -20.038 -4.466 1.00 0.00 C ATOM 1134 CG GLN A 73 -12.830 -20.986 -3.589 1.00 0.00 C ATOM 1135 CD GLN A 73 -14.137 -20.381 -3.109 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -14.726 -19.529 -3.776 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -14.606 -20.825 -1.956 1.00 0.00 N ATOM 0 H GLN A 73 -10.885 -18.243 -5.669 1.00 0.00 H new ATOM 0 HA GLN A 73 -12.558 -18.222 -3.419 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -12.602 -19.820 -5.367 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.114 -20.539 -4.784 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.041 -21.899 -4.147 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -12.229 -21.271 -2.726 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -14.089 -21.532 -1.433 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.485 -20.461 -1.589 1.00 0.00 H new ATOM 1146 N GLY A 74 -9.460 -18.947 -2.764 1.00 0.00 N ATOM 1147 CA GLY A 74 -8.549 -19.137 -1.653 1.00 0.00 C ATOM 1148 C GLY A 74 -8.470 -17.895 -0.799 1.00 0.00 C ATOM 1149 O GLY A 74 -8.247 -17.961 0.409 1.00 0.00 O ATOM 0 H GLY A 74 -9.013 -18.782 -3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.881 -19.979 -1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.557 -19.387 -2.030 1.00 0.00 H new ATOM 1153 N ILE A 75 -8.663 -16.760 -1.447 1.00 0.00 N ATOM 1154 CA ILE A 75 -8.686 -15.471 -0.783 1.00 0.00 C ATOM 1155 C ILE A 75 -10.014 -15.277 -0.064 1.00 0.00 C ATOM 1156 O ILE A 75 -11.048 -15.072 -0.693 1.00 0.00 O ATOM 1157 CB ILE A 75 -8.503 -14.348 -1.812 1.00 0.00 C ATOM 1158 CG1 ILE A 75 -7.231 -14.571 -2.635 1.00 0.00 C ATOM 1159 CG2 ILE A 75 -8.469 -13.004 -1.119 1.00 0.00 C ATOM 1160 CD1 ILE A 75 -5.946 -14.271 -1.894 1.00 0.00 C ATOM 0 H ILE A 75 -8.809 -16.708 -2.455 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.872 -15.439 -0.058 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.352 -14.361 -2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.208 -15.607 -2.972 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.276 -13.946 -3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.339 -12.216 -1.860 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.405 -12.847 -0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.639 -12.979 -0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.096 -14.456 -2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.942 -13.227 -1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.873 -14.914 -1.017 1.00 0.00 H new ATOM 1172 N SER A 76 -9.989 -15.336 1.249 1.00 0.00 N ATOM 1173 CA SER A 76 -11.208 -15.233 2.027 1.00 0.00 C ATOM 1174 C SER A 76 -11.507 -13.775 2.359 1.00 0.00 C ATOM 1175 O SER A 76 -12.583 -13.439 2.854 1.00 0.00 O ATOM 1176 CB SER A 76 -11.061 -16.062 3.305 1.00 0.00 C ATOM 1177 OG SER A 76 -12.263 -16.087 4.059 1.00 0.00 O ATOM 0 H SER A 76 -9.140 -15.455 1.802 1.00 0.00 H new ATOM 0 HA SER A 76 -12.044 -15.620 1.445 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.773 -17.081 3.046 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.258 -15.649 3.915 1.00 0.00 H new ATOM 0 HG SER A 76 -12.706 -15.215 3.997 1.00 0.00 H new ATOM 1183 N SER A 77 -10.559 -12.903 2.064 1.00 0.00 N ATOM 1184 CA SER A 77 -10.665 -11.511 2.457 1.00 0.00 C ATOM 1185 C SER A 77 -10.321 -10.563 1.310 1.00 0.00 C ATOM 1186 O SER A 77 -9.323 -10.751 0.623 1.00 0.00 O ATOM 1187 CB SER A 77 -9.725 -11.260 3.625 1.00 0.00 C ATOM 1188 OG SER A 77 -10.095 -12.033 4.755 1.00 0.00 O ATOM 0 H SER A 77 -9.707 -13.135 1.553 1.00 0.00 H new ATOM 0 HA SER A 77 -11.698 -11.315 2.743 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.704 -11.504 3.333 1.00 0.00 H new ATOM 0 HB3 SER A 77 -9.738 -10.202 3.885 1.00 0.00 H new ATOM 0 HG SER A 77 -9.474 -11.854 5.491 1.00 0.00 H new ATOM 1194 N PRO A 78 -11.150 -9.522 1.107 1.00 0.00 N ATOM 1195 CA PRO A 78 -10.914 -8.480 0.095 1.00 0.00 C ATOM 1196 C PRO A 78 -9.503 -7.899 0.150 1.00 0.00 C ATOM 1197 O PRO A 78 -8.828 -7.793 -0.867 1.00 0.00 O ATOM 1198 CB PRO A 78 -11.940 -7.409 0.459 1.00 0.00 C ATOM 1199 CG PRO A 78 -13.056 -8.165 1.084 1.00 0.00 C ATOM 1200 CD PRO A 78 -12.415 -9.302 1.833 1.00 0.00 C ATOM 0 HA PRO A 78 -11.011 -8.873 -0.917 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.522 -6.676 1.148 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.275 -6.863 -0.423 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.630 -7.528 1.757 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.748 -8.536 0.328 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.239 -9.046 2.878 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.043 -10.193 1.825 1.00 0.00 H new ATOM 1208 N PHE A 79 -9.066 -7.518 1.342 1.00 0.00 N ATOM 1209 CA PHE A 79 -7.726 -6.977 1.532 1.00 0.00 C ATOM 1210 C PHE A 79 -6.648 -7.987 1.123 1.00 0.00 C ATOM 1211 O PHE A 79 -5.550 -7.612 0.719 1.00 0.00 O ATOM 1212 CB PHE A 79 -7.550 -6.556 2.994 1.00 0.00 C ATOM 1213 CG PHE A 79 -6.857 -7.556 3.872 1.00 0.00 C ATOM 1214 CD1 PHE A 79 -7.538 -8.640 4.405 1.00 0.00 C ATOM 1215 CD2 PHE A 79 -5.521 -7.393 4.177 1.00 0.00 C ATOM 1216 CE1 PHE A 79 -6.889 -9.544 5.224 1.00 0.00 C ATOM 1217 CE2 PHE A 79 -4.871 -8.286 4.992 1.00 0.00 C ATOM 1218 CZ PHE A 79 -5.552 -9.366 5.518 1.00 0.00 C ATOM 0 H PHE A 79 -9.622 -7.574 2.196 1.00 0.00 H new ATOM 0 HA PHE A 79 -7.609 -6.105 0.888 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.987 -5.623 3.021 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.533 -6.347 3.415 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.585 -8.779 4.178 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.980 -6.552 3.769 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -7.426 -10.387 5.633 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.825 -8.144 5.222 1.00 0.00 H new ATOM 0 HZ PHE A 79 -5.040 -10.070 6.158 1.00 0.00 H new ATOM 1228 N GLU A 80 -6.984 -9.267 1.208 1.00 0.00 N ATOM 1229 CA GLU A 80 -6.031 -10.334 0.950 1.00 0.00 C ATOM 1230 C GLU A 80 -5.840 -10.550 -0.554 1.00 0.00 C ATOM 1231 O GLU A 80 -4.814 -11.076 -0.985 1.00 0.00 O ATOM 1232 CB GLU A 80 -6.498 -11.617 1.647 1.00 0.00 C ATOM 1233 CG GLU A 80 -5.575 -12.811 1.461 1.00 0.00 C ATOM 1234 CD GLU A 80 -6.034 -14.025 2.244 1.00 0.00 C ATOM 1235 OE1 GLU A 80 -7.091 -14.600 1.906 1.00 0.00 O ATOM 1236 OE2 GLU A 80 -5.340 -14.411 3.205 1.00 0.00 O ATOM 0 H GLU A 80 -7.919 -9.592 1.456 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.060 -10.050 1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.602 -11.418 2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.488 -11.878 1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.522 -13.064 0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.567 -12.540 1.775 1.00 0.00 H new ATOM 1243 N SER A 81 -6.806 -10.119 -1.360 1.00 0.00 N ATOM 1244 CA SER A 81 -6.652 -10.223 -2.802 1.00 0.00 C ATOM 1245 C SER A 81 -5.828 -9.047 -3.289 1.00 0.00 C ATOM 1246 O SER A 81 -4.979 -9.182 -4.165 1.00 0.00 O ATOM 1247 CB SER A 81 -8.010 -10.266 -3.514 1.00 0.00 C ATOM 1248 OG SER A 81 -8.781 -9.111 -3.243 1.00 0.00 O ATOM 0 H SER A 81 -7.683 -9.704 -1.046 1.00 0.00 H new ATOM 0 HA SER A 81 -6.141 -11.157 -3.037 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.854 -10.355 -4.589 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.559 -11.153 -3.197 1.00 0.00 H new ATOM 0 HG SER A 81 -8.580 -8.788 -2.340 1.00 0.00 H new ATOM 1254 N VAL A 82 -6.071 -7.903 -2.667 1.00 0.00 N ATOM 1255 CA VAL A 82 -5.349 -6.675 -2.964 1.00 0.00 C ATOM 1256 C VAL A 82 -3.860 -6.853 -2.725 1.00 0.00 C ATOM 1257 O VAL A 82 -3.034 -6.199 -3.367 1.00 0.00 O ATOM 1258 CB VAL A 82 -5.858 -5.527 -2.086 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -5.124 -4.236 -2.410 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -7.357 -5.359 -2.252 1.00 0.00 C ATOM 0 H VAL A 82 -6.778 -7.800 -1.939 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.520 -6.437 -4.014 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.657 -5.772 -1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.501 -3.434 -1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.057 -4.369 -2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.287 -3.978 -3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.703 -4.540 -1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.585 -5.136 -3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.861 -6.280 -1.959 1.00 0.00 H new ATOM 1270 N LYS A 83 -3.523 -7.737 -1.792 1.00 0.00 N ATOM 1271 CA LYS A 83 -2.136 -8.077 -1.540 1.00 0.00 C ATOM 1272 C LYS A 83 -1.481 -8.466 -2.851 1.00 0.00 C ATOM 1273 O LYS A 83 -0.440 -7.955 -3.213 1.00 0.00 O ATOM 1274 CB LYS A 83 -2.032 -9.246 -0.563 1.00 0.00 C ATOM 1275 CG LYS A 83 -2.542 -8.962 0.834 1.00 0.00 C ATOM 1276 CD LYS A 83 -2.177 -10.099 1.776 1.00 0.00 C ATOM 1277 CE LYS A 83 -2.614 -9.805 3.195 1.00 0.00 C ATOM 1278 NZ LYS A 83 -2.180 -10.862 4.145 1.00 0.00 N ATOM 0 H LYS A 83 -4.194 -8.228 -1.201 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.635 -7.213 -1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.587 -10.091 -0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.988 -9.552 -0.497 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.116 -8.028 1.200 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.624 -8.832 0.813 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.646 -11.022 1.433 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.099 -10.261 1.752 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.203 -8.845 3.509 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.700 -9.713 3.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.773 -10.826 4.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.277 -11.795 3.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.186 -10.706 4.407 1.00 0.00 H new ATOM 1292 N ARG A 84 -2.167 -9.312 -3.595 1.00 0.00 N ATOM 1293 CA ARG A 84 -1.627 -9.873 -4.827 1.00 0.00 C ATOM 1294 C ARG A 84 -1.379 -8.778 -5.851 1.00 0.00 C ATOM 1295 O ARG A 84 -0.436 -8.848 -6.638 1.00 0.00 O ATOM 1296 CB ARG A 84 -2.597 -10.906 -5.395 1.00 0.00 C ATOM 1297 CG ARG A 84 -3.137 -11.852 -4.341 1.00 0.00 C ATOM 1298 CD ARG A 84 -2.010 -12.565 -3.608 1.00 0.00 C ATOM 1299 NE ARG A 84 -2.508 -13.415 -2.534 1.00 0.00 N ATOM 1300 CZ ARG A 84 -2.018 -13.411 -1.294 1.00 0.00 C ATOM 1301 NH1 ARG A 84 -0.991 -12.626 -0.975 1.00 0.00 N ATOM 1302 NH2 ARG A 84 -2.533 -14.209 -0.372 1.00 0.00 N ATOM 0 H ARG A 84 -3.109 -9.631 -3.368 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.677 -10.357 -4.601 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.430 -10.390 -5.874 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.092 -11.483 -6.170 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.744 -11.296 -3.626 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.791 -12.587 -4.810 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.443 -13.170 -4.316 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.321 -11.827 -3.196 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.277 -14.051 -2.743 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.573 -12.021 -1.682 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.623 -12.629 -0.024 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.307 -14.829 -0.609 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.156 -14.203 0.576 1.00 0.00 H new ATOM 1316 N ASP A 85 -2.228 -7.760 -5.820 1.00 0.00 N ATOM 1317 CA ASP A 85 -2.126 -6.640 -6.733 1.00 0.00 C ATOM 1318 C ASP A 85 -0.911 -5.790 -6.395 1.00 0.00 C ATOM 1319 O ASP A 85 -0.226 -5.285 -7.280 1.00 0.00 O ATOM 1320 CB ASP A 85 -3.396 -5.781 -6.673 1.00 0.00 C ATOM 1321 CG ASP A 85 -4.624 -6.505 -7.195 1.00 0.00 C ATOM 1322 OD1 ASP A 85 -4.826 -6.537 -8.425 1.00 0.00 O ATOM 1323 OD2 ASP A 85 -5.396 -7.044 -6.378 1.00 0.00 O ATOM 0 H ASP A 85 -3.004 -7.691 -5.161 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.014 -7.032 -7.744 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.572 -5.474 -5.642 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.242 -4.872 -7.255 1.00 0.00 H new ATOM 1328 N VAL A 86 -0.642 -5.627 -5.109 1.00 0.00 N ATOM 1329 CA VAL A 86 0.477 -4.808 -4.680 1.00 0.00 C ATOM 1330 C VAL A 86 1.782 -5.612 -4.607 1.00 0.00 C ATOM 1331 O VAL A 86 2.809 -5.154 -5.102 1.00 0.00 O ATOM 1332 CB VAL A 86 0.180 -4.085 -3.338 1.00 0.00 C ATOM 1333 CG1 VAL A 86 -0.999 -3.140 -3.507 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.091 -5.065 -2.205 1.00 0.00 C ATOM 0 H VAL A 86 -1.179 -6.048 -4.351 1.00 0.00 H new ATOM 0 HA VAL A 86 0.615 -4.039 -5.441 1.00 0.00 H new ATOM 0 HB VAL A 86 1.070 -3.516 -3.068 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.201 -2.637 -2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.764 -2.398 -4.270 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.879 -3.707 -3.811 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.293 -4.513 -1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.954 -5.681 -2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.781 -5.703 -2.060 1.00 0.00 H new ATOM 1344 N GLU A 87 1.726 -6.819 -4.038 1.00 0.00 N ATOM 1345 CA GLU A 87 2.903 -7.681 -3.867 1.00 0.00 C ATOM 1346 C GLU A 87 3.663 -7.877 -5.176 1.00 0.00 C ATOM 1347 O GLU A 87 4.880 -7.769 -5.201 1.00 0.00 O ATOM 1348 CB GLU A 87 2.496 -9.055 -3.311 1.00 0.00 C ATOM 1349 CG GLU A 87 1.943 -9.024 -1.891 1.00 0.00 C ATOM 1350 CD GLU A 87 1.262 -10.328 -1.503 1.00 0.00 C ATOM 1351 OE1 GLU A 87 0.642 -10.967 -2.389 1.00 0.00 O ATOM 1352 OE2 GLU A 87 1.323 -10.716 -0.316 1.00 0.00 O ATOM 0 H GLU A 87 0.863 -7.229 -3.682 1.00 0.00 H new ATOM 0 HA GLU A 87 3.560 -7.177 -3.158 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.746 -9.492 -3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.364 -9.714 -3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.755 -8.820 -1.193 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.230 -8.204 -1.800 1.00 0.00 H new ATOM 1359 N GLU A 88 2.953 -8.146 -6.270 1.00 0.00 N ATOM 1360 CA GLU A 88 3.617 -8.381 -7.556 1.00 0.00 C ATOM 1361 C GLU A 88 4.481 -7.182 -7.964 1.00 0.00 C ATOM 1362 O GLU A 88 5.509 -7.337 -8.624 1.00 0.00 O ATOM 1363 CB GLU A 88 2.600 -8.704 -8.653 1.00 0.00 C ATOM 1364 CG GLU A 88 1.550 -7.631 -8.857 1.00 0.00 C ATOM 1365 CD GLU A 88 0.697 -7.883 -10.083 1.00 0.00 C ATOM 1366 OE1 GLU A 88 -0.345 -8.560 -9.963 1.00 0.00 O ATOM 1367 OE2 GLU A 88 1.069 -7.408 -11.171 1.00 0.00 O ATOM 0 H GLU A 88 1.935 -8.207 -6.296 1.00 0.00 H new ATOM 0 HA GLU A 88 4.271 -9.244 -7.431 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.131 -8.861 -9.592 1.00 0.00 H new ATOM 0 HB3 GLU A 88 2.103 -9.642 -8.408 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.910 -7.581 -7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.039 -6.661 -8.951 1.00 0.00 H new ATOM 1374 N ARG A 89 4.059 -5.988 -7.557 1.00 0.00 N ATOM 1375 CA ARG A 89 4.811 -4.767 -7.823 1.00 0.00 C ATOM 1376 C ARG A 89 5.858 -4.526 -6.741 1.00 0.00 C ATOM 1377 O ARG A 89 6.972 -4.081 -7.017 1.00 0.00 O ATOM 1378 CB ARG A 89 3.867 -3.568 -7.911 1.00 0.00 C ATOM 1379 CG ARG A 89 3.414 -3.246 -9.326 1.00 0.00 C ATOM 1380 CD ARG A 89 2.570 -4.357 -9.926 1.00 0.00 C ATOM 1381 NE ARG A 89 1.196 -4.351 -9.418 1.00 0.00 N ATOM 1382 CZ ARG A 89 0.124 -4.077 -10.166 1.00 0.00 C ATOM 1383 NH1 ARG A 89 0.254 -3.787 -11.453 1.00 0.00 N ATOM 1384 NH2 ARG A 89 -1.082 -4.110 -9.619 1.00 0.00 N ATOM 0 H ARG A 89 3.193 -5.841 -7.038 1.00 0.00 H new ATOM 0 HA ARG A 89 5.322 -4.888 -8.778 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.990 -3.762 -7.294 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.365 -2.694 -7.491 1.00 0.00 H new ATOM 0 HG2 ARG A 89 2.840 -2.319 -9.320 1.00 0.00 H new ATOM 0 HG3 ARG A 89 4.288 -3.076 -9.955 1.00 0.00 H new ATOM 0 HD2 ARG A 89 2.554 -4.252 -11.011 1.00 0.00 H new ATOM 0 HD3 ARG A 89 3.032 -5.320 -9.706 1.00 0.00 H new ATOM 0 HE ARG A 89 1.049 -4.569 -8.433 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.180 -3.772 -11.881 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.572 -3.579 -12.015 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.188 -4.344 -8.632 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.905 -3.902 -10.185 1.00 0.00 H new ATOM 1398 N LEU A 90 5.484 -4.829 -5.513 1.00 0.00 N ATOM 1399 CA LEU A 90 6.338 -4.603 -4.353 1.00 0.00 C ATOM 1400 C LEU A 90 7.517 -5.567 -4.333 1.00 0.00 C ATOM 1401 O LEU A 90 8.605 -5.225 -3.877 1.00 0.00 O ATOM 1402 CB LEU A 90 5.524 -4.779 -3.081 1.00 0.00 C ATOM 1403 CG LEU A 90 4.379 -3.797 -2.889 1.00 0.00 C ATOM 1404 CD1 LEU A 90 3.531 -4.255 -1.729 1.00 0.00 C ATOM 1405 CD2 LEU A 90 4.907 -2.392 -2.651 1.00 0.00 C ATOM 0 H LEU A 90 4.578 -5.240 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 90 6.728 -3.587 -4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.117 -5.790 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.196 -4.696 -2.227 1.00 0.00 H new ATOM 0 HG LEU A 90 3.771 -3.769 -3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.707 -3.557 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.133 -5.248 -1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.140 -4.292 -0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.070 -1.707 -2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.530 -2.384 -1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.500 -2.076 -3.509 1.00 0.00 H new ATOM 1417 N ALA A 91 7.280 -6.785 -4.782 1.00 0.00 N ATOM 1418 CA ALA A 91 8.340 -7.792 -4.918 1.00 0.00 C ATOM 1419 C ALA A 91 9.560 -7.236 -5.656 1.00 0.00 C ATOM 1420 O ALA A 91 10.686 -7.686 -5.444 1.00 0.00 O ATOM 1421 CB ALA A 91 7.815 -9.028 -5.636 1.00 0.00 C ATOM 0 H ALA A 91 6.356 -7.113 -5.064 1.00 0.00 H new ATOM 0 HA ALA A 91 8.655 -8.069 -3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.615 -9.763 -5.727 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.991 -9.457 -5.066 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.463 -8.750 -6.629 1.00 0.00 H new ATOM 1427 N GLU A 92 9.334 -6.240 -6.502 1.00 0.00 N ATOM 1428 CA GLU A 92 10.411 -5.615 -7.259 1.00 0.00 C ATOM 1429 C GLU A 92 11.203 -4.623 -6.401 1.00 0.00 C ATOM 1430 O GLU A 92 12.227 -4.100 -6.843 1.00 0.00 O ATOM 1431 CB GLU A 92 9.839 -4.890 -8.477 1.00 0.00 C ATOM 1432 CG GLU A 92 9.124 -5.805 -9.458 1.00 0.00 C ATOM 1433 CD GLU A 92 10.044 -6.850 -10.051 1.00 0.00 C ATOM 1434 OE1 GLU A 92 10.178 -7.935 -9.454 1.00 0.00 O ATOM 1435 OE2 GLU A 92 10.642 -6.589 -11.117 1.00 0.00 O ATOM 0 H GLU A 92 8.411 -5.846 -6.682 1.00 0.00 H new ATOM 0 HA GLU A 92 11.090 -6.404 -7.581 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.143 -4.123 -8.137 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.649 -4.378 -8.997 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.296 -6.300 -8.951 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.694 -5.206 -10.261 1.00 0.00 H new ATOM 1442 N ILE A 93 10.739 -4.361 -5.180 1.00 0.00 N ATOM 1443 CA ILE A 93 11.365 -3.339 -4.348 1.00 0.00 C ATOM 1444 C ILE A 93 12.204 -3.941 -3.223 1.00 0.00 C ATOM 1445 O ILE A 93 13.307 -3.468 -2.960 1.00 0.00 O ATOM 1446 CB ILE A 93 10.335 -2.330 -3.762 1.00 0.00 C ATOM 1447 CG1 ILE A 93 9.601 -2.907 -2.540 1.00 0.00 C ATOM 1448 CG2 ILE A 93 9.334 -1.923 -4.837 1.00 0.00 C ATOM 1449 CD1 ILE A 93 8.565 -1.976 -1.947 1.00 0.00 C ATOM 0 H ILE A 93 9.944 -4.835 -4.751 1.00 0.00 H new ATOM 0 HA ILE A 93 12.030 -2.791 -5.015 1.00 0.00 H new ATOM 0 HB ILE A 93 10.884 -1.450 -3.428 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.114 -3.839 -2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.334 -3.154 -1.772 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.617 -1.217 -4.418 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.862 -1.454 -5.667 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.806 -2.806 -5.196 1.00 0.00 H new ATOM 0 HD11 ILE A 93 8.093 -2.456 -1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.047 -1.053 -1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 93 7.808 -1.748 -2.698 1.00 0.00 H new ATOM 1461 N ALA A 94 11.697 -4.991 -2.577 1.00 0.00 N ATOM 1462 CA ALA A 94 12.391 -5.591 -1.432 1.00 0.00 C ATOM 1463 C ALA A 94 11.633 -6.778 -0.876 1.00 0.00 C ATOM 1464 O ALA A 94 12.227 -7.786 -0.509 1.00 0.00 O ATOM 1465 CB ALA A 94 12.588 -4.578 -0.313 1.00 0.00 C ATOM 0 H ALA A 94 10.816 -5.442 -2.822 1.00 0.00 H new ATOM 0 HA ALA A 94 13.361 -5.925 -1.802 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.105 -5.053 0.521 1.00 0.00 H new ATOM 0 HB2 ALA A 94 13.183 -3.742 -0.680 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.617 -4.213 0.022 1.00 0.00 H new ATOM 1471 N GLU A 95 10.315 -6.663 -0.824 1.00 0.00 N ATOM 1472 CA GLU A 95 9.486 -7.675 -0.173 1.00 0.00 C ATOM 1473 C GLU A 95 9.555 -9.018 -0.903 1.00 0.00 C ATOM 1474 O GLU A 95 8.986 -10.005 -0.450 1.00 0.00 O ATOM 1475 CB GLU A 95 8.053 -7.191 -0.072 1.00 0.00 C ATOM 1476 CG GLU A 95 7.419 -6.947 -1.412 1.00 0.00 C ATOM 1477 CD GLU A 95 6.270 -7.897 -1.688 1.00 0.00 C ATOM 1478 OE1 GLU A 95 5.211 -7.747 -1.042 1.00 0.00 O ATOM 1479 OE2 GLU A 95 6.430 -8.788 -2.546 1.00 0.00 O ATOM 0 H GLU A 95 9.794 -5.882 -1.223 1.00 0.00 H new ATOM 0 HA GLU A 95 9.877 -7.833 0.832 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.464 -7.928 0.473 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.027 -6.269 0.509 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.057 -5.920 -1.458 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.172 -7.055 -2.193 1.00 0.00 H new ATOM 1486 N ASP A 96 10.253 -9.030 -2.037 1.00 0.00 N ATOM 1487 CA ASP A 96 10.654 -10.270 -2.721 1.00 0.00 C ATOM 1488 C ASP A 96 11.071 -11.362 -1.728 1.00 0.00 C ATOM 1489 O ASP A 96 10.793 -12.547 -1.929 1.00 0.00 O ATOM 1490 CB ASP A 96 11.830 -9.973 -3.657 1.00 0.00 C ATOM 1491 CG ASP A 96 12.433 -11.226 -4.267 1.00 0.00 C ATOM 1492 OD1 ASP A 96 11.960 -11.655 -5.339 1.00 0.00 O ATOM 1493 OD2 ASP A 96 13.404 -11.769 -3.692 1.00 0.00 O ATOM 0 H ASP A 96 10.560 -8.182 -2.513 1.00 0.00 H new ATOM 0 HA ASP A 96 9.794 -10.634 -3.283 1.00 0.00 H new ATOM 0 HB2 ASP A 96 11.494 -9.312 -4.456 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.601 -9.437 -3.104 1.00 0.00 H new ATOM 1498 N TYR A 97 11.717 -10.941 -0.646 1.00 0.00 N ATOM 1499 CA TYR A 97 12.289 -11.862 0.330 1.00 0.00 C ATOM 1500 C TYR A 97 11.211 -12.487 1.214 1.00 0.00 C ATOM 1501 O TYR A 97 11.459 -13.482 1.900 1.00 0.00 O ATOM 1502 CB TYR A 97 13.308 -11.120 1.200 1.00 0.00 C ATOM 1503 CG TYR A 97 14.195 -10.181 0.418 1.00 0.00 C ATOM 1504 CD1 TYR A 97 14.699 -10.533 -0.826 1.00 0.00 C ATOM 1505 CD2 TYR A 97 14.503 -8.930 0.920 1.00 0.00 C ATOM 1506 CE1 TYR A 97 15.486 -9.662 -1.546 1.00 0.00 C ATOM 1507 CE2 TYR A 97 15.293 -8.052 0.209 1.00 0.00 C ATOM 1508 CZ TYR A 97 15.781 -8.420 -1.026 1.00 0.00 C ATOM 1509 OH TYR A 97 16.565 -7.543 -1.739 1.00 0.00 O ATOM 0 H TYR A 97 11.859 -9.956 -0.421 1.00 0.00 H new ATOM 0 HA TYR A 97 12.782 -12.668 -0.214 1.00 0.00 H new ATOM 0 HB2 TYR A 97 12.777 -10.553 1.965 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.931 -11.849 1.718 1.00 0.00 H new ATOM 0 HD1 TYR A 97 14.470 -11.506 -1.236 1.00 0.00 H new ATOM 0 HD2 TYR A 97 14.118 -8.636 1.885 1.00 0.00 H new ATOM 0 HE1 TYR A 97 15.870 -9.951 -2.513 1.00 0.00 H new ATOM 0 HE2 TYR A 97 15.528 -7.080 0.618 1.00 0.00 H new ATOM 0 HH TYR A 97 16.674 -6.713 -1.229 1.00 0.00 H new ATOM 1519 N GLU A 98 10.015 -11.910 1.194 1.00 0.00 N ATOM 1520 CA GLU A 98 8.925 -12.379 2.038 1.00 0.00 C ATOM 1521 C GLU A 98 7.573 -11.895 1.526 1.00 0.00 C ATOM 1522 O GLU A 98 7.149 -10.790 1.823 1.00 0.00 O ATOM 1523 CB GLU A 98 9.143 -11.928 3.487 1.00 0.00 C ATOM 1524 CG GLU A 98 9.565 -10.472 3.634 1.00 0.00 C ATOM 1525 CD GLU A 98 9.937 -10.123 5.057 1.00 0.00 C ATOM 1526 OE1 GLU A 98 10.783 -10.838 5.635 1.00 0.00 O ATOM 1527 OE2 GLU A 98 9.387 -9.145 5.607 1.00 0.00 O ATOM 0 H GLU A 98 9.776 -11.115 0.601 1.00 0.00 H new ATOM 0 HA GLU A 98 8.920 -13.468 2.003 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.221 -12.085 4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.904 -12.562 3.942 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.414 -10.274 2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 98 8.752 -9.825 3.304 1.00 0.00 H new ATOM 1534 N VAL A 99 6.901 -12.742 0.761 1.00 0.00 N ATOM 1535 CA VAL A 99 5.575 -12.438 0.260 1.00 0.00 C ATOM 1536 C VAL A 99 4.550 -12.748 1.335 1.00 0.00 C ATOM 1537 O VAL A 99 4.025 -13.861 1.415 1.00 0.00 O ATOM 1538 CB VAL A 99 5.255 -13.206 -1.042 1.00 0.00 C ATOM 1539 CG1 VAL A 99 5.963 -12.555 -2.222 1.00 0.00 C ATOM 1540 CG2 VAL A 99 5.653 -14.675 -0.931 1.00 0.00 C ATOM 0 H VAL A 99 7.259 -13.653 0.473 1.00 0.00 H new ATOM 0 HA VAL A 99 5.538 -11.377 0.014 1.00 0.00 H new ATOM 0 HB VAL A 99 4.178 -13.162 -1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.730 -13.105 -3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 99 5.627 -11.523 -2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.040 -12.570 -2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 99 5.415 -15.188 -1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.724 -14.748 -0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.105 -15.139 -0.111 1.00 0.00 H new ATOM 1550 N ASN A 100 4.337 -11.730 2.162 1.00 0.00 N ATOM 1551 CA ASN A 100 3.514 -11.770 3.386 1.00 0.00 C ATOM 1552 C ASN A 100 2.760 -13.086 3.587 1.00 0.00 C ATOM 1553 O ASN A 100 3.267 -14.001 4.234 1.00 0.00 O ATOM 1554 CB ASN A 100 2.520 -10.601 3.401 1.00 0.00 C ATOM 1555 CG ASN A 100 1.658 -10.573 4.655 1.00 0.00 C ATOM 1556 OD1 ASN A 100 0.470 -10.267 4.593 1.00 0.00 O ATOM 1557 ND2 ASN A 100 2.249 -10.868 5.803 1.00 0.00 N ATOM 0 H ASN A 100 4.747 -10.810 1.999 1.00 0.00 H new ATOM 0 HA ASN A 100 4.216 -11.684 4.215 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.069 -9.663 3.323 1.00 0.00 H new ATOM 0 HB3 ASN A 100 1.875 -10.667 2.524 1.00 0.00 H new ATOM 0 HD21 ASN A 100 1.715 -10.845 6.672 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.238 -11.118 5.818 1.00 0.00 H new ATOM 1564 N ARG A 101 1.561 -13.172 3.024 1.00 0.00 N ATOM 1565 CA ARG A 101 0.714 -14.344 3.161 1.00 0.00 C ATOM 1566 C ARG A 101 -0.160 -14.498 1.930 1.00 0.00 C ATOM 1567 O ARG A 101 0.168 -15.331 1.062 1.00 0.00 O ATOM 1568 CB ARG A 101 -0.176 -14.232 4.400 1.00 0.00 C ATOM 1569 CG ARG A 101 0.516 -14.553 5.721 1.00 0.00 C ATOM 1570 CD ARG A 101 0.940 -16.014 5.815 1.00 0.00 C ATOM 1571 NE ARG A 101 2.108 -16.309 4.986 1.00 0.00 N ATOM 1572 CZ ARG A 101 2.589 -17.532 4.776 1.00 0.00 C ATOM 1573 NH1 ARG A 101 1.981 -18.593 5.288 1.00 0.00 N ATOM 1574 NH2 ARG A 101 3.677 -17.697 4.039 1.00 0.00 N ATOM 1575 OXT ARG A 101 -1.159 -13.762 1.825 1.00 0.00 O ATOM 0 H ARG A 101 1.151 -12.428 2.459 1.00 0.00 H new ATOM 0 HA ARG A 101 1.358 -15.217 3.268 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -0.574 -13.219 4.452 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.026 -14.903 4.280 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.393 -13.915 5.833 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.156 -14.319 6.546 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.163 -16.259 6.853 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.110 -16.651 5.509 1.00 0.00 H new ATOM 0 HE ARG A 101 2.585 -15.526 4.539 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.137 -18.476 5.848 1.00 0.00 H new ATOM 0 HH12 ARG A 101 2.357 -19.526 5.121 1.00 0.00 H new ATOM 0 HH21 ARG A 101 4.146 -16.887 3.633 1.00 0.00 H new ATOM 0 HH22 ARG A 101 4.046 -18.634 3.878 1.00 0.00 H new TER 1589 ARG A 101