USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 THR OG1 : rot -97:sc= 0.94 USER MOD Set 1.2: A 45 THR OG1 : rot -40:sc= 1.95 USER MOD Set 2.1: A 15 TYR OH : rot 180:sc= 0.281 USER MOD Set 2.2: A 16 LYS NZ :NH3+ -141:sc= 0.302 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -130:sc= 0.0763 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 126:sc= 0.0874 USER MOD Single : A 13 CYS SG : rot -97:sc= 0.544 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot -171:sc= 1.2 USER MOD Single : A 21 GLN : amide:sc= -0.728 K(o=-0.73,f=-1.5) USER MOD Single : A 23 LYS NZ :NH3+ 155:sc= 1.08 (180deg=-0.617!) USER MOD Single : A 25 LYS NZ :NH3+ 144:sc= 0.302 (180deg=-1.61!) USER MOD Single : A 28 HIS : no HE2:sc= -0.248 K(o=-0.25,f=-1.8) USER MOD Single : A 33 CYS SG : rot 58:sc= 0.103 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -179:sc= 0.694 (180deg=0.693) USER MOD Single : A 58 HIS : no HE2:sc= 0.446 K(o=0.45,f=-2.9!) USER MOD Single : A 59 SER OG : rot 77:sc= 1.73 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -155:sc= 1.19 (180deg=1.04) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 2.54 (180deg=2.38) USER MOD Single : A 75 LYS NZ :NH3+ -166:sc= 1.38 (180deg=1.17) USER MOD Single : A 78 THR OG1 : rot 82:sc= 1.14 USER MOD Single : A 81 LYS NZ :NH3+ 139:sc= 2.42 (180deg=-0.271) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 CYS SG : rot 87:sc= 0.356 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.637 -0.333 -2.121 1.00 0.00 N ATOM 2 CA MET A 1 2.982 -0.928 -2.014 1.00 0.00 C ATOM 3 C MET A 1 3.853 -0.173 -2.984 1.00 0.00 C ATOM 4 O MET A 1 3.771 -0.443 -4.174 1.00 0.00 O ATOM 5 CB MET A 1 2.939 -2.441 -2.279 1.00 0.00 C ATOM 6 CG MET A 1 4.302 -3.097 -2.521 1.00 0.00 C ATOM 7 SD MET A 1 4.173 -4.890 -2.745 1.00 0.00 S ATOM 8 CE MET A 1 5.570 -5.187 -3.865 1.00 0.00 C ATOM 0 H1 MET A 1 1.282 -0.103 -1.171 1.00 0.00 H new ATOM 0 H2 MET A 1 1.686 0.535 -2.691 1.00 0.00 H new ATOM 0 H3 MET A 1 0.993 -1.011 -2.576 1.00 0.00 H new ATOM 0 HA MET A 1 3.392 -0.837 -1.008 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.464 -2.930 -1.429 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.306 -2.624 -3.147 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.764 -2.655 -3.404 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.959 -2.885 -1.678 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.628 -6.250 -4.100 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.427 -4.619 -4.784 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.496 -4.871 -3.384 1.00 0.00 H new ATOM 20 N ALA A 2 4.561 0.847 -2.496 1.00 0.00 N ATOM 21 CA ALA A 2 4.927 2.039 -3.270 1.00 0.00 C ATOM 22 C ALA A 2 3.711 2.709 -3.967 1.00 0.00 C ATOM 23 O ALA A 2 2.568 2.243 -3.860 1.00 0.00 O ATOM 24 CB ALA A 2 6.078 1.708 -4.236 1.00 0.00 C ATOM 0 H ALA A 2 4.903 0.870 -1.535 1.00 0.00 H new ATOM 0 HA ALA A 2 5.288 2.796 -2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.342 2.599 -4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.945 1.371 -3.667 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.764 0.920 -4.920 1.00 0.00 H new ATOM 30 N LEU A 3 3.964 3.813 -4.679 1.00 0.00 N ATOM 31 CA LEU A 3 3.024 4.569 -5.513 1.00 0.00 C ATOM 32 C LEU A 3 3.717 5.068 -6.792 1.00 0.00 C ATOM 33 O LEU A 3 4.748 5.725 -6.716 1.00 0.00 O ATOM 34 CB LEU A 3 2.516 5.772 -4.708 1.00 0.00 C ATOM 35 CG LEU A 3 1.112 6.271 -5.095 1.00 0.00 C ATOM 36 CD1 LEU A 3 0.008 5.242 -4.837 1.00 0.00 C ATOM 37 CD2 LEU A 3 0.769 7.528 -4.292 1.00 0.00 C ATOM 0 H LEU A 3 4.895 4.230 -4.688 1.00 0.00 H new ATOM 0 HA LEU A 3 2.195 3.922 -5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.512 5.506 -3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.222 6.594 -4.827 1.00 0.00 H new ATOM 0 HG LEU A 3 1.150 6.469 -6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.955 5.659 -5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.207 4.342 -5.418 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.015 4.991 -3.776 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.226 7.877 -4.570 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.788 7.296 -3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.500 8.308 -4.506 1.00 0.00 H new ATOM 49 N ALA A 4 3.174 4.743 -7.961 1.00 0.00 N ATOM 50 CA ALA A 4 3.797 4.953 -9.267 1.00 0.00 C ATOM 51 C ALA A 4 3.526 6.356 -9.854 1.00 0.00 C ATOM 52 O ALA A 4 2.426 6.604 -10.355 1.00 0.00 O ATOM 53 CB ALA A 4 3.276 3.839 -10.190 1.00 0.00 C ATOM 0 H ALA A 4 2.253 4.310 -8.029 1.00 0.00 H new ATOM 0 HA ALA A 4 4.881 4.907 -9.167 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.714 3.953 -11.181 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.553 2.868 -9.780 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.191 3.905 -10.264 1.00 0.00 H new ATOM 59 N VAL A 5 4.511 7.265 -9.852 1.00 0.00 N ATOM 60 CA VAL A 5 4.468 8.516 -10.623 1.00 0.00 C ATOM 61 C VAL A 5 5.058 8.262 -12.004 1.00 0.00 C ATOM 62 O VAL A 5 6.048 7.552 -12.155 1.00 0.00 O ATOM 63 CB VAL A 5 5.207 9.699 -9.968 1.00 0.00 C ATOM 64 CG1 VAL A 5 4.830 11.036 -10.620 1.00 0.00 C ATOM 65 CG2 VAL A 5 4.977 9.873 -8.463 1.00 0.00 C ATOM 0 H VAL A 5 5.368 7.152 -9.310 1.00 0.00 H new ATOM 0 HA VAL A 5 3.419 8.809 -10.673 1.00 0.00 H new ATOM 0 HB VAL A 5 6.254 9.439 -10.126 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.372 11.845 -10.130 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.092 11.012 -11.678 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.758 11.202 -10.516 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.543 10.733 -8.105 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.916 10.033 -8.273 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.309 8.977 -7.938 1.00 0.00 H new ATOM 75 N ARG A 6 4.467 8.833 -13.038 1.00 0.00 N ATOM 76 CA ARG A 6 5.057 8.981 -14.378 1.00 0.00 C ATOM 77 C ARG A 6 5.023 10.455 -14.761 1.00 0.00 C ATOM 78 O ARG A 6 4.246 11.226 -14.200 1.00 0.00 O ATOM 79 CB ARG A 6 4.369 8.084 -15.437 1.00 0.00 C ATOM 80 CG ARG A 6 4.995 6.681 -15.559 1.00 0.00 C ATOM 81 CD ARG A 6 4.513 5.732 -14.459 1.00 0.00 C ATOM 82 NE ARG A 6 5.359 4.529 -14.292 1.00 0.00 N ATOM 83 CZ ARG A 6 5.983 4.146 -13.185 1.00 0.00 C ATOM 84 NH1 ARG A 6 5.989 4.841 -12.093 1.00 0.00 N ATOM 85 NH2 ARG A 6 6.705 3.074 -13.118 1.00 0.00 N ATOM 0 H ARG A 6 3.527 9.225 -12.977 1.00 0.00 H new ATOM 0 HA ARG A 6 6.091 8.638 -14.349 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.314 7.981 -15.183 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.417 8.579 -16.407 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.749 6.259 -16.533 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.081 6.765 -15.513 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.479 6.274 -13.514 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.493 5.419 -14.684 1.00 0.00 H new ATOM 0 HE ARG A 6 5.474 3.933 -15.112 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.496 5.733 -12.054 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.486 4.496 -11.272 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.814 2.481 -13.940 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.165 2.823 -12.243 1.00 0.00 H new ATOM 99 N VAL A 7 5.848 10.824 -15.735 1.00 0.00 N ATOM 100 CA VAL A 7 5.943 12.167 -16.326 1.00 0.00 C ATOM 101 C VAL A 7 5.967 12.018 -17.840 1.00 0.00 C ATOM 102 O VAL A 7 6.997 11.626 -18.396 1.00 0.00 O ATOM 103 CB VAL A 7 7.182 12.963 -15.868 1.00 0.00 C ATOM 104 CG1 VAL A 7 7.104 14.411 -16.371 1.00 0.00 C ATOM 105 CG2 VAL A 7 7.408 12.966 -14.358 1.00 0.00 C ATOM 0 H VAL A 7 6.503 10.167 -16.159 1.00 0.00 H new ATOM 0 HA VAL A 7 5.077 12.735 -15.986 1.00 0.00 H new ATOM 0 HB VAL A 7 8.034 12.445 -16.308 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.986 14.959 -16.039 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.062 14.416 -17.460 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.209 14.887 -15.971 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.299 13.548 -14.125 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.545 13.409 -13.862 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.541 11.942 -14.008 1.00 0.00 H new ATOM 115 N VAL A 8 4.839 12.269 -18.497 1.00 0.00 N ATOM 116 CA VAL A 8 4.769 12.315 -19.967 1.00 0.00 C ATOM 117 C VAL A 8 5.480 13.570 -20.464 1.00 0.00 C ATOM 118 O VAL A 8 5.074 14.663 -20.060 1.00 0.00 O ATOM 119 CB VAL A 8 3.328 12.300 -20.516 1.00 0.00 C ATOM 120 CG1 VAL A 8 3.321 12.062 -22.032 1.00 0.00 C ATOM 121 CG2 VAL A 8 2.447 11.228 -19.862 1.00 0.00 C ATOM 0 H VAL A 8 3.947 12.447 -18.035 1.00 0.00 H new ATOM 0 HA VAL A 8 5.256 11.411 -20.333 1.00 0.00 H new ATOM 0 HB VAL A 8 2.915 13.280 -20.277 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.293 12.056 -22.395 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.876 12.858 -22.528 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.789 11.102 -22.252 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.446 11.269 -20.291 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.879 10.243 -20.041 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.390 11.409 -18.789 1.00 0.00 H new ATOM 131 N TYR A 9 6.501 13.454 -21.326 1.00 0.00 N ATOM 132 CA TYR A 9 7.093 14.622 -21.985 1.00 0.00 C ATOM 133 C TYR A 9 7.483 14.331 -23.436 1.00 0.00 C ATOM 134 O TYR A 9 7.772 13.195 -23.796 1.00 0.00 O ATOM 135 CB TYR A 9 8.281 15.151 -21.169 1.00 0.00 C ATOM 136 CG TYR A 9 8.979 16.382 -21.730 1.00 0.00 C ATOM 137 CD1 TYR A 9 8.257 17.573 -21.931 1.00 0.00 C ATOM 138 CD2 TYR A 9 10.354 16.349 -22.033 1.00 0.00 C ATOM 139 CE1 TYR A 9 8.901 18.738 -22.388 1.00 0.00 C ATOM 140 CE2 TYR A 9 10.995 17.505 -22.524 1.00 0.00 C ATOM 141 CZ TYR A 9 10.275 18.705 -22.694 1.00 0.00 C ATOM 142 OH TYR A 9 10.905 19.819 -23.156 1.00 0.00 O ATOM 0 H TYR A 9 6.931 12.565 -21.581 1.00 0.00 H new ATOM 0 HA TYR A 9 6.334 15.403 -22.025 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.931 15.383 -20.163 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.016 14.352 -21.075 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.196 17.593 -21.732 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.917 15.439 -21.889 1.00 0.00 H new ATOM 0 HE1 TYR A 9 8.343 19.655 -22.504 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.046 17.471 -22.772 1.00 0.00 H new ATOM 0 HH TYR A 9 11.851 19.618 -23.315 1.00 0.00 H new ATOM 152 N SER A 10 7.530 15.370 -24.270 1.00 0.00 N ATOM 153 CA SER A 10 8.091 15.275 -25.621 1.00 0.00 C ATOM 154 C SER A 10 9.608 15.102 -25.546 1.00 0.00 C ATOM 155 O SER A 10 10.326 16.016 -25.136 1.00 0.00 O ATOM 156 CB SER A 10 7.738 16.486 -26.477 1.00 0.00 C ATOM 157 OG SER A 10 8.085 16.212 -27.819 1.00 0.00 O ATOM 0 H SER A 10 7.182 16.299 -24.031 1.00 0.00 H new ATOM 0 HA SER A 10 7.648 14.402 -26.100 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.673 16.705 -26.400 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.271 17.368 -26.122 1.00 0.00 H new ATOM 0 HG SER A 10 7.306 16.360 -28.395 1.00 0.00 H new ATOM 163 N GLY A 11 10.099 13.915 -25.908 1.00 0.00 N ATOM 164 CA GLY A 11 11.479 13.441 -25.725 1.00 0.00 C ATOM 165 C GLY A 11 12.604 14.195 -26.465 1.00 0.00 C ATOM 166 O GLY A 11 13.652 13.597 -26.715 1.00 0.00 O ATOM 0 H GLY A 11 9.513 13.216 -26.364 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.703 13.468 -24.659 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.518 12.396 -26.033 1.00 0.00 H new ATOM 170 N ALA A 12 12.425 15.474 -26.817 1.00 0.00 N ATOM 171 CA ALA A 12 13.281 16.353 -27.634 1.00 0.00 C ATOM 172 C ALA A 12 14.661 16.736 -27.024 1.00 0.00 C ATOM 173 O ALA A 12 15.128 17.868 -27.151 1.00 0.00 O ATOM 174 CB ALA A 12 12.436 17.590 -27.974 1.00 0.00 C ATOM 0 H ALA A 12 11.592 15.973 -26.506 1.00 0.00 H new ATOM 0 HA ALA A 12 13.580 15.796 -28.522 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.025 18.277 -28.581 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.550 17.284 -28.529 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.133 18.088 -27.053 1.00 0.00 H new ATOM 180 N CYS A 13 15.344 15.787 -26.378 1.00 0.00 N ATOM 181 CA CYS A 13 16.597 15.953 -25.630 1.00 0.00 C ATOM 182 C CYS A 13 16.521 16.993 -24.485 1.00 0.00 C ATOM 183 O CYS A 13 15.450 17.466 -24.112 1.00 0.00 O ATOM 184 CB CYS A 13 17.757 16.174 -26.615 1.00 0.00 C ATOM 185 SG CYS A 13 19.311 15.577 -25.879 1.00 0.00 S ATOM 0 H CYS A 13 15.018 14.821 -26.361 1.00 0.00 H new ATOM 0 HA CYS A 13 16.792 15.027 -25.089 1.00 0.00 H new ATOM 0 HB2 CYS A 13 17.559 15.647 -27.548 1.00 0.00 H new ATOM 0 HB3 CYS A 13 17.842 17.233 -26.859 1.00 0.00 H new ATOM 0 HG CYS A 13 19.953 16.576 -25.351 1.00 0.00 H new ATOM 191 N GLY A 14 17.633 17.224 -23.777 1.00 0.00 N ATOM 192 CA GLY A 14 17.741 18.066 -22.569 1.00 0.00 C ATOM 193 C GLY A 14 16.959 17.597 -21.324 1.00 0.00 C ATOM 194 O GLY A 14 17.284 18.002 -20.209 1.00 0.00 O ATOM 0 H GLY A 14 18.528 16.811 -24.040 1.00 0.00 H new ATOM 0 HA2 GLY A 14 18.795 18.142 -22.300 1.00 0.00 H new ATOM 0 HA3 GLY A 14 17.404 19.071 -22.824 1.00 0.00 H new ATOM 198 N TYR A 15 15.945 16.741 -21.483 1.00 0.00 N ATOM 199 CA TYR A 15 15.040 16.300 -20.423 1.00 0.00 C ATOM 200 C TYR A 15 15.725 15.535 -19.287 1.00 0.00 C ATOM 201 O TYR A 15 15.383 15.769 -18.138 1.00 0.00 O ATOM 202 CB TYR A 15 13.883 15.489 -21.034 1.00 0.00 C ATOM 203 CG TYR A 15 14.267 14.198 -21.738 1.00 0.00 C ATOM 204 CD1 TYR A 15 14.591 14.213 -23.110 1.00 0.00 C ATOM 205 CD2 TYR A 15 14.267 12.977 -21.037 1.00 0.00 C ATOM 206 CE1 TYR A 15 14.990 13.030 -23.757 1.00 0.00 C ATOM 207 CE2 TYR A 15 14.639 11.784 -21.690 1.00 0.00 C ATOM 208 CZ TYR A 15 15.019 11.813 -23.047 1.00 0.00 C ATOM 209 OH TYR A 15 15.467 10.684 -23.658 1.00 0.00 O ATOM 0 H TYR A 15 15.726 16.322 -22.387 1.00 0.00 H new ATOM 0 HA TYR A 15 14.649 17.201 -19.950 1.00 0.00 H new ATOM 0 HB2 TYR A 15 13.176 15.249 -20.240 1.00 0.00 H new ATOM 0 HB3 TYR A 15 13.358 16.125 -21.747 1.00 0.00 H new ATOM 0 HD1 TYR A 15 14.533 15.137 -23.666 1.00 0.00 H new ATOM 0 HD2 TYR A 15 13.981 12.954 -19.996 1.00 0.00 H new ATOM 0 HE1 TYR A 15 15.274 13.054 -24.799 1.00 0.00 H new ATOM 0 HE2 TYR A 15 14.633 10.848 -21.151 1.00 0.00 H new ATOM 0 HH TYR A 15 15.423 9.933 -23.030 1.00 0.00 H new ATOM 219 N LYS A 16 16.702 14.661 -19.564 1.00 0.00 N ATOM 220 CA LYS A 16 17.326 13.763 -18.566 1.00 0.00 C ATOM 221 C LYS A 16 17.780 14.442 -17.257 1.00 0.00 C ATOM 222 O LYS A 16 17.243 14.068 -16.218 1.00 0.00 O ATOM 223 CB LYS A 16 18.400 12.875 -19.229 1.00 0.00 C ATOM 224 CG LYS A 16 17.737 11.577 -19.727 1.00 0.00 C ATOM 225 CD LYS A 16 18.495 10.808 -20.817 1.00 0.00 C ATOM 226 CE LYS A 16 18.446 11.549 -22.162 1.00 0.00 C ATOM 227 NZ LYS A 16 18.514 10.614 -23.314 1.00 0.00 N ATOM 0 H LYS A 16 17.091 14.552 -20.500 1.00 0.00 H new ATOM 0 HA LYS A 16 16.533 13.106 -18.210 1.00 0.00 H new ATOM 0 HB2 LYS A 16 18.865 13.404 -20.061 1.00 0.00 H new ATOM 0 HB3 LYS A 16 19.191 12.644 -18.516 1.00 0.00 H new ATOM 0 HG2 LYS A 16 17.597 10.914 -18.873 1.00 0.00 H new ATOM 0 HG3 LYS A 16 16.745 11.822 -20.107 1.00 0.00 H new ATOM 0 HD2 LYS A 16 19.533 10.671 -20.513 1.00 0.00 H new ATOM 0 HD3 LYS A 16 18.062 9.814 -20.931 1.00 0.00 H new ATOM 0 HE2 LYS A 16 17.527 12.132 -22.222 1.00 0.00 H new ATOM 0 HE3 LYS A 16 19.275 12.254 -22.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 19.105 11.028 -24.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.929 9.712 -23.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 17.556 10.447 -23.682 1.00 0.00 H new ATOM 241 N PRO A 17 18.687 15.436 -17.242 1.00 0.00 N ATOM 242 CA PRO A 17 19.060 16.113 -15.994 1.00 0.00 C ATOM 243 C PRO A 17 17.926 16.964 -15.399 1.00 0.00 C ATOM 244 O PRO A 17 17.842 17.063 -14.179 1.00 0.00 O ATOM 245 CB PRO A 17 20.286 16.962 -16.352 1.00 0.00 C ATOM 246 CG PRO A 17 20.107 17.240 -17.846 1.00 0.00 C ATOM 247 CD PRO A 17 19.456 15.957 -18.362 1.00 0.00 C ATOM 0 HA PRO A 17 19.276 15.387 -15.211 1.00 0.00 H new ATOM 0 HB2 PRO A 17 20.317 17.885 -15.773 1.00 0.00 H new ATOM 0 HB3 PRO A 17 21.215 16.429 -16.152 1.00 0.00 H new ATOM 0 HG2 PRO A 17 19.475 18.111 -18.021 1.00 0.00 H new ATOM 0 HG3 PRO A 17 21.061 17.434 -18.337 1.00 0.00 H new ATOM 0 HD2 PRO A 17 18.814 16.160 -19.219 1.00 0.00 H new ATOM 0 HD3 PRO A 17 20.208 15.239 -18.690 1.00 0.00 H new ATOM 255 N LYS A 18 17.011 17.523 -16.211 1.00 0.00 N ATOM 256 CA LYS A 18 15.818 18.231 -15.702 1.00 0.00 C ATOM 257 C LYS A 18 14.873 17.294 -14.945 1.00 0.00 C ATOM 258 O LYS A 18 14.421 17.627 -13.856 1.00 0.00 O ATOM 259 CB LYS A 18 15.072 18.953 -16.827 1.00 0.00 C ATOM 260 CG LYS A 18 15.877 20.115 -17.423 1.00 0.00 C ATOM 261 CD LYS A 18 15.050 20.846 -18.488 1.00 0.00 C ATOM 262 CE LYS A 18 15.796 22.095 -18.969 1.00 0.00 C ATOM 263 NZ LYS A 18 14.961 22.898 -19.896 1.00 0.00 N ATOM 0 H LYS A 18 17.074 17.499 -17.229 1.00 0.00 H new ATOM 0 HA LYS A 18 16.177 18.979 -14.995 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.834 18.239 -17.616 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.125 19.332 -16.444 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.162 20.811 -16.634 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.799 19.738 -17.865 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.858 20.181 -19.330 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.081 21.128 -18.077 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.080 22.705 -18.111 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.718 21.800 -19.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.493 23.737 -20.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.711 22.322 -20.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.093 23.199 -19.409 1.00 0.00 H new ATOM 277 N TYR A 19 14.612 16.113 -15.507 1.00 0.00 N ATOM 278 CA TYR A 19 13.895 15.012 -14.870 1.00 0.00 C ATOM 279 C TYR A 19 14.569 14.648 -13.553 1.00 0.00 C ATOM 280 O TYR A 19 13.931 14.742 -12.513 1.00 0.00 O ATOM 281 CB TYR A 19 13.838 13.785 -15.798 1.00 0.00 C ATOM 282 CG TYR A 19 12.558 13.648 -16.595 1.00 0.00 C ATOM 283 CD1 TYR A 19 12.192 14.645 -17.518 1.00 0.00 C ATOM 284 CD2 TYR A 19 11.738 12.514 -16.414 1.00 0.00 C ATOM 285 CE1 TYR A 19 11.011 14.506 -18.272 1.00 0.00 C ATOM 286 CE2 TYR A 19 10.564 12.372 -17.172 1.00 0.00 C ATOM 287 CZ TYR A 19 10.198 13.370 -18.099 1.00 0.00 C ATOM 288 OH TYR A 19 9.071 13.254 -18.842 1.00 0.00 O ATOM 0 H TYR A 19 14.907 15.890 -16.458 1.00 0.00 H new ATOM 0 HA TYR A 19 12.873 15.334 -14.671 1.00 0.00 H new ATOM 0 HB2 TYR A 19 14.677 13.833 -16.492 1.00 0.00 H new ATOM 0 HB3 TYR A 19 13.972 12.886 -15.196 1.00 0.00 H new ATOM 0 HD1 TYR A 19 12.817 15.516 -17.648 1.00 0.00 H new ATOM 0 HD2 TYR A 19 12.012 11.757 -15.694 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.729 15.270 -18.982 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.942 11.499 -17.045 1.00 0.00 H new ATOM 0 HH TYR A 19 8.543 12.494 -18.519 1.00 0.00 H new ATOM 298 N LEU A 20 15.850 14.262 -13.590 1.00 0.00 N ATOM 299 CA LEU A 20 16.603 13.866 -12.401 1.00 0.00 C ATOM 300 C LEU A 20 16.567 14.916 -11.295 1.00 0.00 C ATOM 301 O LEU A 20 16.384 14.541 -10.154 1.00 0.00 O ATOM 302 CB LEU A 20 18.062 13.611 -12.768 1.00 0.00 C ATOM 303 CG LEU A 20 18.335 12.334 -13.579 1.00 0.00 C ATOM 304 CD1 LEU A 20 19.798 12.314 -14.023 1.00 0.00 C ATOM 305 CD2 LEU A 20 18.059 11.075 -12.753 1.00 0.00 C ATOM 0 H LEU A 20 16.393 14.216 -14.452 1.00 0.00 H new ATOM 0 HA LEU A 20 16.126 12.961 -12.025 1.00 0.00 H new ATOM 0 HB2 LEU A 20 18.428 14.465 -13.337 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.646 13.566 -11.849 1.00 0.00 H new ATOM 0 HG LEU A 20 17.669 12.339 -14.442 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.991 11.408 -14.598 1.00 0.00 H new ATOM 0 HD12 LEU A 20 20.002 13.188 -14.642 1.00 0.00 H new ATOM 0 HD13 LEU A 20 20.445 12.332 -13.146 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.262 10.191 -13.358 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.702 11.069 -11.873 1.00 0.00 H new ATOM 0 HD23 LEU A 20 17.015 11.067 -12.439 1.00 0.00 H new ATOM 317 N GLN A 21 16.708 16.204 -11.592 1.00 0.00 N ATOM 318 CA GLN A 21 16.717 17.257 -10.586 1.00 0.00 C ATOM 319 C GLN A 21 15.420 17.282 -9.760 1.00 0.00 C ATOM 320 O GLN A 21 15.477 17.396 -8.533 1.00 0.00 O ATOM 321 CB GLN A 21 16.992 18.577 -11.326 1.00 0.00 C ATOM 322 CG GLN A 21 17.293 19.742 -10.383 1.00 0.00 C ATOM 323 CD GLN A 21 16.063 20.352 -9.711 1.00 0.00 C ATOM 324 OE1 GLN A 21 14.959 20.350 -10.224 1.00 0.00 O ATOM 325 NE2 GLN A 21 16.211 20.948 -8.548 1.00 0.00 N ATOM 0 H GLN A 21 16.820 16.548 -12.546 1.00 0.00 H new ATOM 0 HA GLN A 21 17.498 17.081 -9.847 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.835 18.438 -12.003 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.128 18.829 -11.941 1.00 0.00 H new ATOM 0 HG2 GLN A 21 17.980 19.398 -9.610 1.00 0.00 H new ATOM 0 HG3 GLN A 21 17.809 20.522 -10.943 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.125 20.964 -8.096 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.412 21.394 -8.098 1.00 0.00 H new ATOM 334 N LEU A 22 14.268 17.096 -10.415 1.00 0.00 N ATOM 335 CA LEU A 22 12.994 16.835 -9.746 1.00 0.00 C ATOM 336 C LEU A 22 12.973 15.444 -9.083 1.00 0.00 C ATOM 337 O LEU A 22 12.600 15.329 -7.913 1.00 0.00 O ATOM 338 CB LEU A 22 11.858 17.008 -10.775 1.00 0.00 C ATOM 339 CG LEU A 22 10.444 16.756 -10.215 1.00 0.00 C ATOM 340 CD1 LEU A 22 10.047 17.773 -9.139 1.00 0.00 C ATOM 341 CD2 LEU A 22 9.415 16.840 -11.342 1.00 0.00 C ATOM 0 H LEU A 22 14.196 17.123 -11.432 1.00 0.00 H new ATOM 0 HA LEU A 22 12.853 17.550 -8.935 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.901 18.020 -11.177 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.032 16.326 -11.608 1.00 0.00 H new ATOM 0 HG LEU A 22 10.461 15.763 -9.766 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.043 17.549 -8.779 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.751 17.717 -8.308 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.065 18.777 -9.563 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.418 16.661 -10.939 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.451 17.831 -11.794 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.641 16.088 -12.098 1.00 0.00 H new ATOM 353 N LYS A 23 13.363 14.391 -9.818 1.00 0.00 N ATOM 354 CA LYS A 23 13.207 12.976 -9.422 1.00 0.00 C ATOM 355 C LYS A 23 14.007 12.647 -8.175 1.00 0.00 C ATOM 356 O LYS A 23 13.451 12.145 -7.205 1.00 0.00 O ATOM 357 CB LYS A 23 13.614 12.027 -10.574 1.00 0.00 C ATOM 358 CG LYS A 23 12.711 10.814 -10.684 1.00 0.00 C ATOM 359 CD LYS A 23 13.193 9.587 -9.898 1.00 0.00 C ATOM 360 CE LYS A 23 14.078 8.693 -10.759 1.00 0.00 C ATOM 361 NZ LYS A 23 14.115 7.320 -10.196 1.00 0.00 N ATOM 0 H LYS A 23 13.808 14.499 -10.729 1.00 0.00 H new ATOM 0 HA LYS A 23 12.151 12.826 -9.197 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.593 12.576 -11.515 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.641 11.697 -10.420 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.715 11.086 -10.334 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.616 10.542 -11.735 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.747 9.911 -9.017 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.333 9.019 -9.543 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.697 8.666 -11.780 1.00 0.00 H new ATOM 0 HE3 LYS A 23 15.087 9.103 -10.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.336 6.641 -10.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.846 7.267 -9.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.189 7.089 -9.783 1.00 0.00 H new ATOM 375 N GLU A 24 15.292 12.993 -8.213 1.00 0.00 N ATOM 376 CA GLU A 24 16.219 13.003 -7.076 1.00 0.00 C ATOM 377 C GLU A 24 15.576 13.569 -5.810 1.00 0.00 C ATOM 378 O GLU A 24 15.645 12.930 -4.772 1.00 0.00 O ATOM 379 CB GLU A 24 17.464 13.834 -7.451 1.00 0.00 C ATOM 380 CG GLU A 24 18.561 13.894 -6.374 1.00 0.00 C ATOM 381 CD GLU A 24 18.711 15.329 -5.856 1.00 0.00 C ATOM 382 OE1 GLU A 24 19.261 16.180 -6.596 1.00 0.00 O ATOM 383 OE2 GLU A 24 18.158 15.675 -4.785 1.00 0.00 O ATOM 0 H GLU A 24 15.741 13.289 -9.080 1.00 0.00 H new ATOM 0 HA GLU A 24 16.500 11.972 -6.859 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.895 13.421 -8.363 1.00 0.00 H new ATOM 0 HB3 GLU A 24 17.146 14.851 -7.680 1.00 0.00 H new ATOM 0 HG2 GLU A 24 18.310 13.226 -5.550 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.508 13.548 -6.788 1.00 0.00 H new ATOM 390 N LYS A 25 14.911 14.725 -5.899 1.00 0.00 N ATOM 391 CA LYS A 25 14.268 15.386 -4.755 1.00 0.00 C ATOM 392 C LYS A 25 13.139 14.557 -4.157 1.00 0.00 C ATOM 393 O LYS A 25 13.035 14.423 -2.944 1.00 0.00 O ATOM 394 CB LYS A 25 13.747 16.770 -5.195 1.00 0.00 C ATOM 395 CG LYS A 25 14.267 17.906 -4.311 1.00 0.00 C ATOM 396 CD LYS A 25 15.792 18.086 -4.317 1.00 0.00 C ATOM 397 CE LYS A 25 16.350 18.184 -5.743 1.00 0.00 C ATOM 398 NZ LYS A 25 17.824 18.197 -5.730 1.00 0.00 N ATOM 0 H LYS A 25 14.802 15.235 -6.776 1.00 0.00 H new ATOM 0 HA LYS A 25 15.017 15.499 -3.971 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.044 16.954 -6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.657 16.767 -5.172 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.805 18.839 -4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.941 17.727 -3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.054 18.987 -3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.259 17.247 -3.801 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.995 17.341 -6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.978 19.090 -6.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.183 17.677 -6.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.163 19.180 -5.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.167 17.744 -4.859 1.00 0.00 H new ATOM 412 N LEU A 26 12.289 14.031 -5.026 1.00 0.00 N ATOM 413 CA LEU A 26 11.156 13.187 -4.721 1.00 0.00 C ATOM 414 C LEU A 26 11.595 11.879 -4.055 1.00 0.00 C ATOM 415 O LEU A 26 11.228 11.595 -2.923 1.00 0.00 O ATOM 416 CB LEU A 26 10.394 12.993 -6.046 1.00 0.00 C ATOM 417 CG LEU A 26 9.224 13.967 -6.173 1.00 0.00 C ATOM 418 CD1 LEU A 26 9.638 15.387 -6.548 1.00 0.00 C ATOM 419 CD2 LEU A 26 8.188 13.502 -7.196 1.00 0.00 C ATOM 0 H LEU A 26 12.384 14.197 -6.028 1.00 0.00 H new ATOM 0 HA LEU A 26 10.492 13.643 -3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.078 13.134 -6.883 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.024 11.970 -6.106 1.00 0.00 H new ATOM 0 HG LEU A 26 8.792 13.981 -5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.752 16.018 -6.619 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.306 15.785 -5.784 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.152 15.374 -7.509 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.377 14.229 -7.249 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.659 13.412 -8.175 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.788 12.534 -6.895 1.00 0.00 H new ATOM 431 N GLU A 27 12.415 11.096 -4.740 1.00 0.00 N ATOM 432 CA GLU A 27 13.017 9.861 -4.232 1.00 0.00 C ATOM 433 C GLU A 27 13.961 10.051 -3.037 1.00 0.00 C ATOM 434 O GLU A 27 14.080 9.144 -2.223 1.00 0.00 O ATOM 435 CB GLU A 27 13.744 9.166 -5.385 1.00 0.00 C ATOM 436 CG GLU A 27 12.894 7.994 -5.893 1.00 0.00 C ATOM 437 CD GLU A 27 13.394 7.421 -7.227 1.00 0.00 C ATOM 438 OE1 GLU A 27 14.616 7.442 -7.518 1.00 0.00 O ATOM 439 OE2 GLU A 27 12.560 7.029 -8.071 1.00 0.00 O ATOM 0 H GLU A 27 12.693 11.306 -5.699 1.00 0.00 H new ATOM 0 HA GLU A 27 12.203 9.247 -3.847 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.927 9.874 -6.193 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.717 8.806 -5.051 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.891 7.203 -5.143 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.862 8.325 -6.011 1.00 0.00 H new ATOM 446 N HIS A 28 14.596 11.213 -2.874 1.00 0.00 N ATOM 447 CA HIS A 28 15.230 11.588 -1.602 1.00 0.00 C ATOM 448 C HIS A 28 14.200 11.696 -0.472 1.00 0.00 C ATOM 449 O HIS A 28 14.444 11.226 0.642 1.00 0.00 O ATOM 450 CB HIS A 28 15.984 12.919 -1.752 1.00 0.00 C ATOM 451 CG HIS A 28 16.590 13.501 -0.492 1.00 0.00 C ATOM 452 ND1 HIS A 28 16.719 12.894 0.739 1.00 0.00 N ATOM 453 CD2 HIS A 28 17.036 14.786 -0.356 1.00 0.00 C ATOM 454 CE1 HIS A 28 17.245 13.791 1.590 1.00 0.00 C ATOM 455 NE2 HIS A 28 17.465 14.957 0.965 1.00 0.00 N ATOM 0 H HIS A 28 14.687 11.915 -3.608 1.00 0.00 H new ATOM 0 HA HIS A 28 15.938 10.801 -1.341 1.00 0.00 H new ATOM 0 HB2 HIS A 28 16.783 12.778 -2.480 1.00 0.00 H new ATOM 0 HB3 HIS A 28 15.297 13.654 -2.171 1.00 0.00 H new ATOM 0 HD1 HIS A 28 16.461 11.933 0.964 1.00 0.00 H new ATOM 0 HD2 HIS A 28 17.054 15.537 -1.132 1.00 0.00 H new ATOM 0 HE1 HIS A 28 17.460 13.600 2.631 1.00 0.00 H new ATOM 463 N GLU A 29 13.079 12.363 -0.742 1.00 0.00 N ATOM 464 CA GLU A 29 12.044 12.658 0.235 1.00 0.00 C ATOM 465 C GLU A 29 11.241 11.412 0.644 1.00 0.00 C ATOM 466 O GLU A 29 10.847 11.273 1.805 1.00 0.00 O ATOM 467 CB GLU A 29 11.119 13.728 -0.365 1.00 0.00 C ATOM 468 CG GLU A 29 11.504 15.149 0.078 1.00 0.00 C ATOM 469 CD GLU A 29 10.936 15.479 1.461 1.00 0.00 C ATOM 470 OE1 GLU A 29 11.210 14.718 2.421 1.00 0.00 O ATOM 471 OE2 GLU A 29 10.087 16.391 1.559 1.00 0.00 O ATOM 0 H GLU A 29 12.864 12.721 -1.673 1.00 0.00 H new ATOM 0 HA GLU A 29 12.516 13.021 1.148 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.155 13.667 -1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.090 13.524 -0.068 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.590 15.244 0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.134 15.871 -0.650 1.00 0.00 H new ATOM 478 N PHE A 30 10.952 10.520 -0.301 1.00 0.00 N ATOM 479 CA PHE A 30 10.127 9.326 -0.111 1.00 0.00 C ATOM 480 C PHE A 30 10.611 8.097 -0.915 1.00 0.00 C ATOM 481 O PHE A 30 9.859 7.559 -1.735 1.00 0.00 O ATOM 482 CB PHE A 30 8.658 9.715 -0.354 1.00 0.00 C ATOM 483 CG PHE A 30 8.342 10.726 -1.447 1.00 0.00 C ATOM 484 CD1 PHE A 30 8.477 10.406 -2.812 1.00 0.00 C ATOM 485 CD2 PHE A 30 7.817 11.979 -1.084 1.00 0.00 C ATOM 486 CE1 PHE A 30 8.015 11.298 -3.797 1.00 0.00 C ATOM 487 CE2 PHE A 30 7.388 12.887 -2.065 1.00 0.00 C ATOM 488 CZ PHE A 30 7.461 12.534 -3.420 1.00 0.00 C ATOM 0 H PHE A 30 11.298 10.611 -1.256 1.00 0.00 H new ATOM 0 HA PHE A 30 10.226 8.978 0.917 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.107 8.802 -0.579 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.260 10.105 0.583 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.937 9.473 -3.103 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.743 12.245 -0.040 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.086 11.034 -4.842 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.003 13.854 -1.777 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.091 13.212 -4.175 1.00 0.00 H new ATOM 498 N PRO A 31 11.841 7.601 -0.670 1.00 0.00 N ATOM 499 CA PRO A 31 12.375 6.451 -1.393 1.00 0.00 C ATOM 500 C PRO A 31 11.585 5.191 -1.062 1.00 0.00 C ATOM 501 O PRO A 31 11.281 4.934 0.100 1.00 0.00 O ATOM 502 CB PRO A 31 13.827 6.282 -0.949 1.00 0.00 C ATOM 503 CG PRO A 31 13.884 6.987 0.409 1.00 0.00 C ATOM 504 CD PRO A 31 12.774 8.039 0.360 1.00 0.00 C ATOM 0 HA PRO A 31 12.304 6.612 -2.469 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.098 5.230 -0.864 1.00 0.00 H new ATOM 0 HB3 PRO A 31 14.517 6.733 -1.662 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.724 6.283 1.226 1.00 0.00 H new ATOM 0 HG3 PRO A 31 14.858 7.449 0.573 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.276 8.124 1.326 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.180 9.022 0.124 1.00 0.00 H new ATOM 512 N GLY A 32 11.249 4.395 -2.077 1.00 0.00 N ATOM 513 CA GLY A 32 10.528 3.112 -1.965 1.00 0.00 C ATOM 514 C GLY A 32 9.069 3.192 -1.500 1.00 0.00 C ATOM 515 O GLY A 32 8.240 2.356 -1.858 1.00 0.00 O ATOM 0 H GLY A 32 11.478 4.630 -3.043 1.00 0.00 H new ATOM 0 HA2 GLY A 32 10.551 2.620 -2.938 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.074 2.472 -1.272 1.00 0.00 H new ATOM 519 N CYS A 33 8.710 4.244 -0.771 1.00 0.00 N ATOM 520 CA CYS A 33 7.348 4.706 -0.553 1.00 0.00 C ATOM 521 C CYS A 33 6.654 5.088 -1.867 1.00 0.00 C ATOM 522 O CYS A 33 5.425 5.135 -1.939 1.00 0.00 O ATOM 523 CB CYS A 33 7.375 5.931 0.358 1.00 0.00 C ATOM 524 SG CYS A 33 8.322 5.668 1.884 1.00 0.00 S ATOM 0 H CYS A 33 9.398 4.825 -0.293 1.00 0.00 H new ATOM 0 HA CYS A 33 6.789 3.889 -0.097 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.804 6.772 -0.187 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.352 6.206 0.616 1.00 0.00 H new ATOM 0 HG CYS A 33 9.543 5.335 1.585 1.00 0.00 H new ATOM 530 N LEU A 34 7.453 5.368 -2.899 1.00 0.00 N ATOM 531 CA LEU A 34 7.059 5.878 -4.197 1.00 0.00 C ATOM 532 C LEU A 34 8.038 5.489 -5.303 1.00 0.00 C ATOM 533 O LEU A 34 9.167 5.080 -5.037 1.00 0.00 O ATOM 534 CB LEU A 34 6.989 7.406 -4.068 1.00 0.00 C ATOM 535 CG LEU A 34 5.551 7.874 -3.806 1.00 0.00 C ATOM 536 CD1 LEU A 34 5.435 8.581 -2.467 1.00 0.00 C ATOM 537 CD2 LEU A 34 5.043 8.754 -4.947 1.00 0.00 C ATOM 0 H LEU A 34 8.462 5.232 -2.836 1.00 0.00 H new ATOM 0 HA LEU A 34 6.099 5.447 -4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.636 7.735 -3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.364 7.869 -4.981 1.00 0.00 H new ATOM 0 HG LEU A 34 4.916 6.989 -3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.404 8.900 -2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.728 7.899 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.090 9.452 -2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.022 9.071 -4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.683 9.631 -5.043 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.061 8.188 -5.879 1.00 0.00 H new ATOM 549 N ASP A 35 7.584 5.691 -6.536 1.00 0.00 N ATOM 550 CA ASP A 35 8.397 5.657 -7.760 1.00 0.00 C ATOM 551 C ASP A 35 8.119 6.888 -8.624 1.00 0.00 C ATOM 552 O ASP A 35 6.998 7.397 -8.634 1.00 0.00 O ATOM 553 CB ASP A 35 7.998 4.408 -8.546 1.00 0.00 C ATOM 554 CG ASP A 35 8.701 4.197 -9.895 1.00 0.00 C ATOM 555 OD1 ASP A 35 9.854 4.640 -10.088 1.00 0.00 O ATOM 556 OD2 ASP A 35 8.002 3.650 -10.782 1.00 0.00 O ATOM 0 H ASP A 35 6.602 5.891 -6.724 1.00 0.00 H new ATOM 0 HA ASP A 35 9.455 5.645 -7.498 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.189 3.536 -7.921 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.923 4.444 -8.723 1.00 0.00 H new ATOM 561 N ILE A 36 9.084 7.307 -9.438 1.00 0.00 N ATOM 562 CA ILE A 36 8.891 8.270 -10.512 1.00 0.00 C ATOM 563 C ILE A 36 9.641 7.795 -11.765 1.00 0.00 C ATOM 564 O ILE A 36 10.870 7.826 -11.884 1.00 0.00 O ATOM 565 CB ILE A 36 9.368 9.676 -10.145 1.00 0.00 C ATOM 566 CG1 ILE A 36 9.162 10.168 -8.697 1.00 0.00 C ATOM 567 CG2 ILE A 36 8.886 10.726 -11.165 1.00 0.00 C ATOM 568 CD1 ILE A 36 10.417 9.903 -7.851 1.00 0.00 C ATOM 0 H ILE A 36 10.046 6.976 -9.365 1.00 0.00 H new ATOM 0 HA ILE A 36 7.819 8.329 -10.698 1.00 0.00 H new ATOM 0 HB ILE A 36 10.451 9.561 -10.197 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.937 11.234 -8.698 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.305 9.661 -8.254 1.00 0.00 H new ATOM 0 HG21 ILE A 36 9.245 11.712 -10.870 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.275 10.479 -12.153 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.796 10.731 -11.195 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.251 10.257 -6.834 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.625 8.833 -7.834 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.266 10.431 -8.285 1.00 0.00 H new ATOM 580 N CYS A 37 8.832 7.434 -12.740 1.00 0.00 N ATOM 581 CA CYS A 37 9.196 7.183 -14.134 1.00 0.00 C ATOM 582 C CYS A 37 8.893 8.389 -15.036 1.00 0.00 C ATOM 583 O CYS A 37 8.397 9.430 -14.605 1.00 0.00 O ATOM 584 CB CYS A 37 8.467 5.916 -14.609 1.00 0.00 C ATOM 585 SG CYS A 37 9.504 4.439 -14.436 1.00 0.00 S ATOM 0 H CYS A 37 7.835 7.297 -12.576 1.00 0.00 H new ATOM 0 HA CYS A 37 10.273 7.028 -14.201 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.551 5.786 -14.033 1.00 0.00 H new ATOM 0 HB3 CYS A 37 8.174 6.035 -15.652 1.00 0.00 H new ATOM 0 HG CYS A 37 8.846 3.396 -14.847 1.00 0.00 H new ATOM 591 N GLY A 38 9.164 8.218 -16.329 1.00 0.00 N ATOM 592 CA GLY A 38 8.734 9.086 -17.423 1.00 0.00 C ATOM 593 C GLY A 38 8.023 8.307 -18.532 1.00 0.00 C ATOM 594 O GLY A 38 8.011 7.081 -18.512 1.00 0.00 O ATOM 0 H GLY A 38 9.719 7.428 -16.659 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.065 9.854 -17.034 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.601 9.599 -17.840 1.00 0.00 H new ATOM 598 N GLU A 39 7.451 9.036 -19.481 1.00 0.00 N ATOM 599 CA GLU A 39 6.922 8.573 -20.764 1.00 0.00 C ATOM 600 C GLU A 39 7.320 9.600 -21.832 1.00 0.00 C ATOM 601 O GLU A 39 6.729 10.672 -21.961 1.00 0.00 O ATOM 602 CB GLU A 39 5.408 8.330 -20.664 1.00 0.00 C ATOM 603 CG GLU A 39 4.733 8.000 -22.003 1.00 0.00 C ATOM 604 CD GLU A 39 5.519 6.913 -22.735 1.00 0.00 C ATOM 605 OE1 GLU A 39 6.435 7.302 -23.498 1.00 0.00 O ATOM 606 OE2 GLU A 39 5.280 5.723 -22.441 1.00 0.00 O ATOM 0 H GLU A 39 7.334 10.043 -19.369 1.00 0.00 H new ATOM 0 HA GLU A 39 7.346 7.610 -21.050 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.228 7.511 -19.968 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.936 9.217 -20.241 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.710 7.666 -21.830 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.676 8.896 -22.621 1.00 0.00 H new ATOM 613 N GLY A 40 8.418 9.309 -22.519 1.00 0.00 N ATOM 614 CA GLY A 40 9.085 10.226 -23.443 1.00 0.00 C ATOM 615 C GLY A 40 8.622 10.074 -24.895 1.00 0.00 C ATOM 616 O GLY A 40 9.414 9.765 -25.787 1.00 0.00 O ATOM 0 H GLY A 40 8.884 8.404 -22.449 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.906 11.251 -23.118 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.161 10.060 -23.394 1.00 0.00 H new ATOM 620 N THR A 41 7.335 10.340 -25.095 1.00 0.00 N ATOM 621 CA THR A 41 6.606 10.422 -26.366 1.00 0.00 C ATOM 622 C THR A 41 7.315 11.297 -27.431 1.00 0.00 C ATOM 623 O THR A 41 7.987 12.271 -27.081 1.00 0.00 O ATOM 624 CB THR A 41 5.165 10.892 -26.076 1.00 0.00 C ATOM 625 OG1 THR A 41 4.468 11.196 -27.255 1.00 0.00 O ATOM 626 CG2 THR A 41 5.051 12.131 -25.184 1.00 0.00 C ATOM 0 H THR A 41 6.717 10.520 -24.304 1.00 0.00 H new ATOM 0 HA THR A 41 6.581 9.429 -26.814 1.00 0.00 H new ATOM 0 HB THR A 41 4.737 10.039 -25.549 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.509 12.161 -27.420 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.000 12.380 -25.040 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.511 11.927 -24.217 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.561 12.969 -25.659 1.00 0.00 H new ATOM 634 N PRO A 42 7.203 10.978 -28.740 1.00 0.00 N ATOM 635 CA PRO A 42 7.885 11.689 -29.831 1.00 0.00 C ATOM 636 C PRO A 42 7.156 12.981 -30.290 1.00 0.00 C ATOM 637 O PRO A 42 6.415 13.616 -29.540 1.00 0.00 O ATOM 638 CB PRO A 42 8.004 10.614 -30.928 1.00 0.00 C ATOM 639 CG PRO A 42 6.694 9.846 -30.780 1.00 0.00 C ATOM 640 CD PRO A 42 6.548 9.781 -29.264 1.00 0.00 C ATOM 0 HA PRO A 42 8.855 12.085 -29.530 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.106 11.055 -31.919 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.871 9.971 -30.774 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.859 10.365 -31.250 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.747 8.854 -31.230 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.497 9.754 -28.975 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.011 8.878 -28.867 1.00 0.00 H new ATOM 648 N GLN A 43 7.407 13.399 -31.538 1.00 0.00 N ATOM 649 CA GLN A 43 6.765 14.515 -32.250 1.00 0.00 C ATOM 650 C GLN A 43 5.220 14.523 -32.190 1.00 0.00 C ATOM 651 O GLN A 43 4.590 13.544 -31.793 1.00 0.00 O ATOM 652 CB GLN A 43 7.268 14.524 -33.711 1.00 0.00 C ATOM 653 CG GLN A 43 6.849 13.282 -34.528 1.00 0.00 C ATOM 654 CD GLN A 43 7.305 13.351 -35.987 1.00 0.00 C ATOM 655 OE1 GLN A 43 7.283 14.385 -36.625 1.00 0.00 O ATOM 656 NE2 GLN A 43 7.723 12.253 -36.583 1.00 0.00 N ATOM 0 H GLN A 43 8.109 12.937 -32.116 1.00 0.00 H new ATOM 0 HA GLN A 43 7.055 15.430 -31.733 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.891 15.417 -34.209 1.00 0.00 H new ATOM 0 HB3 GLN A 43 8.356 14.595 -33.709 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.267 12.389 -34.063 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.764 13.180 -34.495 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.751 11.373 -36.069 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.019 12.283 -37.559 1.00 0.00 H new ATOM 665 N VAL A 44 4.605 15.635 -32.615 1.00 0.00 N ATOM 666 CA VAL A 44 3.171 15.987 -32.474 1.00 0.00 C ATOM 667 C VAL A 44 2.757 16.239 -31.016 1.00 0.00 C ATOM 668 O VAL A 44 2.071 17.221 -30.738 1.00 0.00 O ATOM 669 CB VAL A 44 2.221 14.982 -33.170 1.00 0.00 C ATOM 670 CG1 VAL A 44 0.774 15.493 -33.193 1.00 0.00 C ATOM 671 CG2 VAL A 44 2.630 14.726 -34.628 1.00 0.00 C ATOM 0 H VAL A 44 5.124 16.367 -33.100 1.00 0.00 H new ATOM 0 HA VAL A 44 3.061 16.933 -33.004 1.00 0.00 H new ATOM 0 HB VAL A 44 2.292 14.062 -32.589 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.137 14.761 -33.689 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.425 15.644 -32.171 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.730 16.438 -33.735 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.938 14.015 -35.081 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.602 15.663 -35.184 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.640 14.317 -34.656 1.00 0.00 H new ATOM 681 N THR A 45 3.193 15.412 -30.064 1.00 0.00 N ATOM 682 CA THR A 45 3.081 15.742 -28.632 1.00 0.00 C ATOM 683 C THR A 45 4.093 16.816 -28.212 1.00 0.00 C ATOM 684 O THR A 45 5.175 16.926 -28.789 1.00 0.00 O ATOM 685 CB THR A 45 3.207 14.503 -27.739 1.00 0.00 C ATOM 686 OG1 THR A 45 4.505 13.967 -27.691 1.00 0.00 O ATOM 687 CG2 THR A 45 2.243 13.390 -28.153 1.00 0.00 C ATOM 0 H THR A 45 3.627 14.509 -30.253 1.00 0.00 H new ATOM 0 HA THR A 45 2.080 16.149 -28.491 1.00 0.00 H new ATOM 0 HB THR A 45 2.951 14.868 -26.744 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.908 14.006 -28.583 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.370 12.534 -27.491 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.217 13.753 -28.084 1.00 0.00 H new ATOM 0 HG23 THR A 45 2.454 13.089 -29.179 1.00 0.00 H new ATOM 695 N GLY A 46 3.759 17.607 -27.186 1.00 0.00 N ATOM 696 CA GLY A 46 4.514 18.811 -26.807 1.00 0.00 C ATOM 697 C GLY A 46 4.062 19.393 -25.467 1.00 0.00 C ATOM 698 O GLY A 46 3.650 20.545 -25.388 1.00 0.00 O ATOM 0 H GLY A 46 2.951 17.430 -26.589 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.575 18.568 -26.753 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.399 19.567 -27.584 1.00 0.00 H new ATOM 702 N PHE A 47 4.068 18.573 -24.418 1.00 0.00 N ATOM 703 CA PHE A 47 3.509 18.867 -23.090 1.00 0.00 C ATOM 704 C PHE A 47 4.284 18.106 -21.995 1.00 0.00 C ATOM 705 O PHE A 47 5.010 17.183 -22.346 1.00 0.00 O ATOM 706 CB PHE A 47 2.011 18.534 -23.134 1.00 0.00 C ATOM 707 CG PHE A 47 1.574 17.320 -23.940 1.00 0.00 C ATOM 708 CD1 PHE A 47 1.910 16.018 -23.522 1.00 0.00 C ATOM 709 CD2 PHE A 47 0.804 17.498 -25.108 1.00 0.00 C ATOM 710 CE1 PHE A 47 1.453 14.903 -24.248 1.00 0.00 C ATOM 711 CE2 PHE A 47 0.343 16.383 -25.831 1.00 0.00 C ATOM 712 CZ PHE A 47 0.655 15.085 -25.390 1.00 0.00 C ATOM 0 H PHE A 47 4.480 17.641 -24.468 1.00 0.00 H new ATOM 0 HA PHE A 47 3.617 19.921 -22.833 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.669 18.395 -22.108 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.487 19.404 -23.529 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.520 15.875 -22.642 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.567 18.495 -25.449 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.716 13.906 -23.927 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.249 16.524 -26.723 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.281 14.227 -25.929 1.00 0.00 H new ATOM 722 N PHE A 48 4.169 18.487 -20.711 1.00 0.00 N ATOM 723 CA PHE A 48 4.970 17.975 -19.574 1.00 0.00 C ATOM 724 C PHE A 48 4.034 17.673 -18.386 1.00 0.00 C ATOM 725 O PHE A 48 3.581 18.591 -17.696 1.00 0.00 O ATOM 726 CB PHE A 48 6.081 18.983 -19.199 1.00 0.00 C ATOM 727 CG PHE A 48 7.126 18.497 -18.204 1.00 0.00 C ATOM 728 CD1 PHE A 48 6.834 18.469 -16.828 1.00 0.00 C ATOM 729 CD2 PHE A 48 8.432 18.183 -18.621 1.00 0.00 C ATOM 730 CE1 PHE A 48 7.812 18.103 -15.887 1.00 0.00 C ATOM 731 CE2 PHE A 48 9.412 17.804 -17.692 1.00 0.00 C ATOM 732 CZ PHE A 48 9.103 17.754 -16.322 1.00 0.00 C ATOM 0 H PHE A 48 3.489 19.189 -20.420 1.00 0.00 H new ATOM 0 HA PHE A 48 5.466 17.047 -19.858 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.593 19.283 -20.113 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.609 19.876 -18.790 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.843 18.733 -16.489 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.683 18.234 -19.670 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.573 18.090 -14.834 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.406 17.550 -18.030 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.853 17.449 -15.607 1.00 0.00 H new ATOM 742 N GLU A 49 3.636 16.413 -18.215 1.00 0.00 N ATOM 743 CA GLU A 49 2.410 16.041 -17.525 1.00 0.00 C ATOM 744 C GLU A 49 2.697 14.983 -16.446 1.00 0.00 C ATOM 745 O GLU A 49 3.155 13.888 -16.778 1.00 0.00 O ATOM 746 CB GLU A 49 1.441 15.517 -18.593 1.00 0.00 C ATOM 747 CG GLU A 49 1.297 16.336 -19.897 1.00 0.00 C ATOM 748 CD GLU A 49 0.655 17.718 -19.733 1.00 0.00 C ATOM 749 OE1 GLU A 49 -0.597 17.778 -19.699 1.00 0.00 O ATOM 750 OE2 GLU A 49 1.329 18.773 -19.785 1.00 0.00 O ATOM 0 H GLU A 49 4.167 15.613 -18.559 1.00 0.00 H new ATOM 0 HA GLU A 49 1.971 16.894 -17.008 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.753 14.508 -18.863 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.454 15.434 -18.138 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.286 16.463 -20.339 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.703 15.759 -20.606 1.00 0.00 H new ATOM 757 N VAL A 50 2.469 15.295 -15.160 1.00 0.00 N ATOM 758 CA VAL A 50 2.918 14.453 -14.026 1.00 0.00 C ATOM 759 C VAL A 50 1.723 13.784 -13.366 1.00 0.00 C ATOM 760 O VAL A 50 0.868 14.469 -12.797 1.00 0.00 O ATOM 761 CB VAL A 50 3.709 15.235 -12.955 1.00 0.00 C ATOM 762 CG1 VAL A 50 4.254 14.304 -11.864 1.00 0.00 C ATOM 763 CG2 VAL A 50 4.896 16.019 -13.532 1.00 0.00 C ATOM 0 H VAL A 50 1.969 16.136 -14.871 1.00 0.00 H new ATOM 0 HA VAL A 50 3.593 13.710 -14.451 1.00 0.00 H new ATOM 0 HB VAL A 50 2.989 15.939 -12.536 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.805 14.889 -11.128 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.425 13.793 -11.374 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.920 13.567 -12.314 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.409 16.546 -12.728 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.589 15.329 -14.013 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.534 16.740 -14.265 1.00 0.00 H new ATOM 773 N THR A 51 1.680 12.454 -13.393 1.00 0.00 N ATOM 774 CA THR A 51 0.549 11.659 -12.894 1.00 0.00 C ATOM 775 C THR A 51 1.036 10.590 -11.924 1.00 0.00 C ATOM 776 O THR A 51 1.971 9.860 -12.236 1.00 0.00 O ATOM 777 CB THR A 51 -0.202 10.954 -14.039 1.00 0.00 C ATOM 778 OG1 THR A 51 -0.158 11.679 -15.246 1.00 0.00 O ATOM 779 CG2 THR A 51 -1.671 10.701 -13.749 1.00 0.00 C ATOM 0 H THR A 51 2.439 11.885 -13.767 1.00 0.00 H new ATOM 0 HA THR A 51 -0.126 12.353 -12.393 1.00 0.00 H new ATOM 0 HB THR A 51 0.326 10.005 -14.130 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.647 11.189 -15.940 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.130 10.202 -14.603 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.764 10.069 -12.866 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.175 11.651 -13.570 1.00 0.00 H new ATOM 787 N VAL A 52 0.372 10.435 -10.782 1.00 0.00 N ATOM 788 CA VAL A 52 0.668 9.475 -9.706 1.00 0.00 C ATOM 789 C VAL A 52 -0.508 8.531 -9.501 1.00 0.00 C ATOM 790 O VAL A 52 -1.624 8.993 -9.308 1.00 0.00 O ATOM 791 CB VAL A 52 1.063 10.208 -8.407 1.00 0.00 C ATOM 792 CG1 VAL A 52 -0.037 11.079 -7.782 1.00 0.00 C ATOM 793 CG2 VAL A 52 1.535 9.203 -7.351 1.00 0.00 C ATOM 0 H VAL A 52 -0.441 11.011 -10.563 1.00 0.00 H new ATOM 0 HA VAL A 52 1.525 8.869 -9.999 1.00 0.00 H new ATOM 0 HB VAL A 52 1.861 10.885 -8.712 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.343 11.549 -6.875 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.338 11.850 -8.492 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.897 10.457 -7.535 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.810 9.735 -6.440 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.731 8.501 -7.132 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.400 8.658 -7.729 1.00 0.00 H new ATOM 803 N ALA A 53 -0.302 7.219 -9.627 1.00 0.00 N ATOM 804 CA ALA A 53 -1.353 6.188 -9.552 1.00 0.00 C ATOM 805 C ALA A 53 -2.662 6.553 -10.312 1.00 0.00 C ATOM 806 O ALA A 53 -3.774 6.257 -9.872 1.00 0.00 O ATOM 807 CB ALA A 53 -1.572 5.831 -8.077 1.00 0.00 C ATOM 0 H ALA A 53 0.626 6.827 -9.789 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.011 5.302 -10.087 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.347 5.069 -7.998 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.643 5.449 -7.653 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.882 6.721 -7.529 1.00 0.00 H new ATOM 813 N GLY A 54 -2.538 7.240 -11.456 1.00 0.00 N ATOM 814 CA GLY A 54 -3.683 7.726 -12.238 1.00 0.00 C ATOM 815 C GLY A 54 -4.374 8.971 -11.661 1.00 0.00 C ATOM 816 O GLY A 54 -5.604 9.071 -11.710 1.00 0.00 O ATOM 0 H GLY A 54 -1.635 7.476 -11.867 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.345 7.951 -13.250 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.417 6.924 -12.318 1.00 0.00 H new ATOM 820 N LYS A 55 -3.600 9.908 -11.103 1.00 0.00 N ATOM 821 CA LYS A 55 -4.002 11.216 -10.554 1.00 0.00 C ATOM 822 C LYS A 55 -3.015 12.286 -11.028 1.00 0.00 C ATOM 823 O LYS A 55 -1.839 12.216 -10.683 1.00 0.00 O ATOM 824 CB LYS A 55 -4.038 11.171 -9.019 1.00 0.00 C ATOM 825 CG LYS A 55 -4.785 9.992 -8.370 1.00 0.00 C ATOM 826 CD LYS A 55 -6.285 9.958 -8.698 1.00 0.00 C ATOM 827 CE LYS A 55 -6.782 8.505 -8.742 1.00 0.00 C ATOM 828 NZ LYS A 55 -7.701 8.292 -9.885 1.00 0.00 N ATOM 0 H LYS A 55 -2.594 9.764 -11.015 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.003 11.460 -10.909 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.010 11.161 -8.657 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.492 12.096 -8.664 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.329 9.058 -8.699 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.659 10.044 -7.289 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.842 10.519 -7.948 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.467 10.442 -9.658 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.931 7.828 -8.824 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.293 8.263 -7.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.036 7.307 -9.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.514 8.935 -9.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.199 8.484 -10.775 1.00 0.00 H new ATOM 842 N LEU A 56 -3.427 13.204 -11.901 1.00 0.00 N ATOM 843 CA LEU A 56 -2.559 14.284 -12.386 1.00 0.00 C ATOM 844 C LEU A 56 -2.359 15.353 -11.310 1.00 0.00 C ATOM 845 O LEU A 56 -3.305 15.768 -10.645 1.00 0.00 O ATOM 846 CB LEU A 56 -3.118 14.821 -13.709 1.00 0.00 C ATOM 847 CG LEU A 56 -2.284 15.955 -14.336 1.00 0.00 C ATOM 848 CD1 LEU A 56 -2.272 15.816 -15.859 1.00 0.00 C ATOM 849 CD2 LEU A 56 -2.849 17.334 -13.974 1.00 0.00 C ATOM 0 H LEU A 56 -4.368 13.223 -12.293 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.559 13.904 -12.593 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.186 13.999 -14.422 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.133 15.182 -13.541 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.272 15.874 -13.940 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.680 16.622 -16.293 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.835 14.856 -16.133 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.293 15.871 -16.237 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.236 18.110 -14.433 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.872 17.416 -14.340 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.840 17.458 -12.891 1.00 0.00 H new ATOM 861 N VAL A 57 -1.107 15.788 -11.178 1.00 0.00 N ATOM 862 CA VAL A 57 -0.657 16.783 -10.188 1.00 0.00 C ATOM 863 C VAL A 57 0.029 17.982 -10.858 1.00 0.00 C ATOM 864 O VAL A 57 0.202 19.043 -10.246 1.00 0.00 O ATOM 865 CB VAL A 57 0.280 16.142 -9.141 1.00 0.00 C ATOM 866 CG1 VAL A 57 0.180 16.908 -7.813 1.00 0.00 C ATOM 867 CG2 VAL A 57 -0.017 14.667 -8.818 1.00 0.00 C ATOM 0 H VAL A 57 -0.349 15.451 -11.772 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.547 17.151 -9.677 1.00 0.00 H new ATOM 0 HB VAL A 57 1.270 16.193 -9.595 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.843 16.451 -7.079 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.472 17.946 -7.969 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.846 16.871 -7.448 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.693 14.307 -8.074 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.030 14.577 -8.426 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.075 14.070 -9.725 1.00 0.00 H new ATOM 877 N HIS A 58 0.404 17.818 -12.131 1.00 0.00 N ATOM 878 CA HIS A 58 1.016 18.825 -12.993 1.00 0.00 C ATOM 879 C HIS A 58 0.664 18.636 -14.473 1.00 0.00 C ATOM 880 O HIS A 58 0.469 17.519 -14.946 1.00 0.00 O ATOM 881 CB HIS A 58 2.518 18.652 -12.867 1.00 0.00 C ATOM 882 CG HIS A 58 3.341 19.722 -13.518 1.00 0.00 C ATOM 883 ND1 HIS A 58 3.446 21.034 -13.135 1.00 0.00 N ATOM 884 CD2 HIS A 58 4.074 19.560 -14.660 1.00 0.00 C ATOM 885 CE1 HIS A 58 4.256 21.637 -14.015 1.00 0.00 C ATOM 886 NE2 HIS A 58 4.652 20.790 -14.971 1.00 0.00 N ATOM 0 H HIS A 58 0.280 16.927 -12.611 1.00 0.00 H new ATOM 0 HA HIS A 58 0.655 19.806 -12.684 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.775 18.612 -11.809 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.794 17.690 -13.299 1.00 0.00 H new ATOM 0 HD1 HIS A 58 2.993 21.469 -12.331 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.185 18.644 -15.221 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.551 22.674 -13.960 1.00 0.00 H new ATOM 894 N SER A 59 0.690 19.728 -15.230 1.00 0.00 N ATOM 895 CA SER A 59 0.476 19.780 -16.673 1.00 0.00 C ATOM 896 C SER A 59 1.007 21.085 -17.272 1.00 0.00 C ATOM 897 O SER A 59 0.427 22.155 -17.042 1.00 0.00 O ATOM 898 CB SER A 59 -1.029 19.759 -16.905 1.00 0.00 C ATOM 899 OG SER A 59 -1.386 19.804 -18.273 1.00 0.00 O ATOM 0 H SER A 59 0.871 20.650 -14.833 1.00 0.00 H new ATOM 0 HA SER A 59 0.993 18.941 -17.138 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.446 18.857 -16.458 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.481 20.607 -16.391 1.00 0.00 H new ATOM 0 HG SER A 59 -1.249 18.921 -18.676 1.00 0.00 H new ATOM 905 N LYS A 60 2.069 21.064 -18.080 1.00 0.00 N ATOM 906 CA LYS A 60 2.388 22.220 -18.927 1.00 0.00 C ATOM 907 C LYS A 60 1.318 22.511 -19.978 1.00 0.00 C ATOM 908 O LYS A 60 1.154 23.688 -20.298 1.00 0.00 O ATOM 909 CB LYS A 60 3.762 22.035 -19.579 1.00 0.00 C ATOM 910 CG LYS A 60 4.860 22.775 -18.799 1.00 0.00 C ATOM 911 CD LYS A 60 5.141 24.194 -19.319 1.00 0.00 C ATOM 912 CE LYS A 60 3.912 25.120 -19.378 1.00 0.00 C ATOM 913 NZ LYS A 60 4.233 26.467 -19.920 1.00 0.00 N ATOM 0 H LYS A 60 2.712 20.277 -18.167 1.00 0.00 H new ATOM 0 HA LYS A 60 2.413 23.093 -18.274 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.002 20.973 -19.629 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.732 22.403 -20.605 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.571 22.833 -17.750 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.780 22.193 -18.844 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.895 24.656 -18.682 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.570 24.120 -20.318 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.143 24.658 -19.997 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.494 25.226 -18.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.371 27.049 -19.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.946 26.923 -19.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.607 26.373 -20.886 1.00 0.00 H new ATOM 927 N LYS A 61 0.583 21.502 -20.465 1.00 0.00 N ATOM 928 CA LYS A 61 -0.539 21.657 -21.411 1.00 0.00 C ATOM 929 C LYS A 61 -1.639 22.578 -20.873 1.00 0.00 C ATOM 930 O LYS A 61 -2.092 23.462 -21.592 1.00 0.00 O ATOM 931 CB LYS A 61 -1.099 20.274 -21.780 1.00 0.00 C ATOM 932 CG LYS A 61 -2.122 20.335 -22.923 1.00 0.00 C ATOM 933 CD LYS A 61 -2.497 18.956 -23.490 1.00 0.00 C ATOM 934 CE LYS A 61 -3.215 18.030 -22.494 1.00 0.00 C ATOM 935 NZ LYS A 61 -2.281 17.164 -21.728 1.00 0.00 N ATOM 0 H LYS A 61 0.754 20.530 -20.208 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.154 22.139 -22.310 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.277 19.619 -22.068 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.568 19.830 -20.902 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.025 20.829 -22.565 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.719 20.951 -23.727 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.137 19.097 -24.361 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.590 18.461 -23.837 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.795 18.635 -21.797 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.922 17.402 -23.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.781 16.309 -21.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.482 16.893 -22.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.926 17.684 -20.900 1.00 0.00 H new ATOM 949 N ARG A 62 -2.059 22.388 -19.613 1.00 0.00 N ATOM 950 CA ARG A 62 -3.095 23.216 -18.974 1.00 0.00 C ATOM 951 C ARG A 62 -2.601 24.584 -18.508 1.00 0.00 C ATOM 952 O ARG A 62 -3.418 25.456 -18.238 1.00 0.00 O ATOM 953 CB ARG A 62 -3.758 22.419 -17.840 1.00 0.00 C ATOM 954 CG ARG A 62 -3.120 22.481 -16.443 1.00 0.00 C ATOM 955 CD ARG A 62 -3.468 23.704 -15.609 1.00 0.00 C ATOM 956 NE ARG A 62 -3.085 23.519 -14.203 1.00 0.00 N ATOM 957 CZ ARG A 62 -3.870 23.543 -13.147 1.00 0.00 C ATOM 958 NH1 ARG A 62 -5.153 23.755 -13.221 1.00 0.00 N ATOM 959 NH2 ARG A 62 -3.364 23.344 -11.973 1.00 0.00 N ATOM 0 H ARG A 62 -1.690 21.655 -19.007 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.840 23.448 -19.735 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.789 22.761 -17.751 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.794 21.373 -18.144 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.417 21.591 -15.889 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.037 22.439 -16.557 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.960 24.579 -16.014 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.539 23.898 -15.674 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.095 23.352 -14.024 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.592 23.912 -14.128 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.718 23.764 -12.372 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.364 23.170 -11.871 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.965 23.361 -11.149 1.00 0.00 H new ATOM 973 N GLY A 63 -1.286 24.738 -18.338 1.00 0.00 N ATOM 974 CA GLY A 63 -0.673 25.951 -17.797 1.00 0.00 C ATOM 975 C GLY A 63 -0.278 25.882 -16.324 1.00 0.00 C ATOM 976 O GLY A 63 -0.139 26.925 -15.701 1.00 0.00 O ATOM 0 H GLY A 63 -0.609 24.013 -18.576 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.216 26.182 -18.384 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.368 26.780 -17.931 1.00 0.00 H new ATOM 980 N ASP A 64 -0.049 24.684 -15.767 1.00 0.00 N ATOM 981 CA ASP A 64 0.519 24.545 -14.413 1.00 0.00 C ATOM 982 C ASP A 64 1.906 25.217 -14.306 1.00 0.00 C ATOM 983 O ASP A 64 2.191 25.914 -13.333 1.00 0.00 O ATOM 984 CB ASP A 64 0.564 23.052 -14.035 1.00 0.00 C ATOM 985 CG ASP A 64 0.449 22.791 -12.527 1.00 0.00 C ATOM 986 OD1 ASP A 64 -0.699 22.837 -12.032 1.00 0.00 O ATOM 987 OD2 ASP A 64 1.453 22.432 -11.870 1.00 0.00 O ATOM 0 H ASP A 64 -0.247 23.797 -16.230 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.121 25.065 -13.700 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.246 22.533 -14.547 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.498 22.623 -14.398 1.00 0.00 H new ATOM 992 N GLY A 65 2.732 25.085 -15.357 1.00 0.00 N ATOM 993 CA GLY A 65 4.057 25.699 -15.506 1.00 0.00 C ATOM 994 C GLY A 65 5.106 25.177 -14.524 1.00 0.00 C ATOM 995 O GLY A 65 4.791 24.788 -13.405 1.00 0.00 O ATOM 0 H GLY A 65 2.478 24.518 -16.166 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.411 25.529 -16.523 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.961 26.777 -15.378 1.00 0.00 H new ATOM 999 N TYR A 66 6.370 25.208 -14.939 1.00 0.00 N ATOM 1000 CA TYR A 66 7.502 24.727 -14.148 1.00 0.00 C ATOM 1001 C TYR A 66 7.686 25.490 -12.825 1.00 0.00 C ATOM 1002 O TYR A 66 6.873 26.335 -12.447 1.00 0.00 O ATOM 1003 CB TYR A 66 8.766 24.759 -15.013 1.00 0.00 C ATOM 1004 CG TYR A 66 8.669 23.976 -16.310 1.00 0.00 C ATOM 1005 CD1 TYR A 66 8.385 22.597 -16.262 1.00 0.00 C ATOM 1006 CD2 TYR A 66 8.912 24.603 -17.550 1.00 0.00 C ATOM 1007 CE1 TYR A 66 8.363 21.840 -17.444 1.00 0.00 C ATOM 1008 CE2 TYR A 66 8.871 23.846 -18.739 1.00 0.00 C ATOM 1009 CZ TYR A 66 8.602 22.461 -18.684 1.00 0.00 C ATOM 1010 OH TYR A 66 8.570 21.725 -19.823 1.00 0.00 O ATOM 0 H TYR A 66 6.642 25.575 -15.851 1.00 0.00 H new ATOM 0 HA TYR A 66 7.295 23.699 -13.850 1.00 0.00 H new ATOM 0 HB2 TYR A 66 9.002 25.797 -15.248 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.599 24.367 -14.429 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.184 22.121 -15.314 1.00 0.00 H new ATOM 0 HD2 TYR A 66 9.129 25.660 -17.589 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.162 20.780 -17.402 1.00 0.00 H new ATOM 0 HE2 TYR A 66 9.045 24.325 -19.691 1.00 0.00 H new ATOM 0 HH TYR A 66 8.754 22.304 -20.592 1.00 0.00 H new ATOM 1020 N VAL A 67 8.719 25.138 -12.060 1.00 0.00 N ATOM 1021 CA VAL A 67 8.840 25.583 -10.664 1.00 0.00 C ATOM 1022 C VAL A 67 9.405 26.996 -10.526 1.00 0.00 C ATOM 1023 O VAL A 67 10.529 27.252 -10.112 1.00 0.00 O ATOM 1024 CB VAL A 67 9.483 24.568 -9.725 1.00 0.00 C ATOM 1025 CG1 VAL A 67 8.619 23.294 -9.687 1.00 0.00 C ATOM 1026 CG2 VAL A 67 10.922 24.147 -10.061 1.00 0.00 C ATOM 0 H VAL A 67 9.486 24.546 -12.379 1.00 0.00 H new ATOM 0 HA VAL A 67 7.811 25.646 -10.311 1.00 0.00 H new ATOM 0 HB VAL A 67 9.538 25.084 -8.766 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.075 22.565 -9.017 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.620 23.542 -9.328 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.550 22.871 -10.689 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.271 23.424 -9.324 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.947 23.695 -11.053 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.571 25.023 -10.045 1.00 0.00 H new ATOM 1036 N ASP A 68 8.518 27.923 -10.840 1.00 0.00 N ATOM 1037 CA ASP A 68 8.663 29.368 -10.768 1.00 0.00 C ATOM 1038 C ASP A 68 8.819 29.844 -9.316 1.00 0.00 C ATOM 1039 O ASP A 68 9.321 30.931 -9.043 1.00 0.00 O ATOM 1040 CB ASP A 68 7.404 29.981 -11.369 1.00 0.00 C ATOM 1041 CG ASP A 68 7.128 29.657 -12.846 1.00 0.00 C ATOM 1042 OD1 ASP A 68 8.072 29.539 -13.654 1.00 0.00 O ATOM 1043 OD2 ASP A 68 5.924 29.465 -13.145 1.00 0.00 O ATOM 0 H ASP A 68 7.594 27.661 -11.183 1.00 0.00 H new ATOM 0 HA ASP A 68 9.557 29.673 -11.312 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.548 29.651 -10.780 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.466 31.064 -11.262 1.00 0.00 H new ATOM 1048 N THR A 69 8.371 29.027 -8.356 1.00 0.00 N ATOM 1049 CA THR A 69 8.552 29.257 -6.933 1.00 0.00 C ATOM 1050 C THR A 69 8.830 27.945 -6.211 1.00 0.00 C ATOM 1051 O THR A 69 8.348 26.884 -6.614 1.00 0.00 O ATOM 1052 CB THR A 69 7.289 29.888 -6.323 1.00 0.00 C ATOM 1053 OG1 THR A 69 6.142 29.771 -7.134 1.00 0.00 O ATOM 1054 CG2 THR A 69 7.477 31.368 -6.010 1.00 0.00 C ATOM 0 H THR A 69 7.861 28.168 -8.561 1.00 0.00 H new ATOM 0 HA THR A 69 9.399 29.933 -6.812 1.00 0.00 H new ATOM 0 HB THR A 69 7.133 29.318 -5.407 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.379 30.191 -6.684 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.558 31.769 -5.581 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.293 31.488 -5.297 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.714 31.907 -6.927 1.00 0.00 H new ATOM 1062 N GLU A 70 9.481 28.050 -5.050 1.00 0.00 N ATOM 1063 CA GLU A 70 9.572 26.995 -4.027 1.00 0.00 C ATOM 1064 C GLU A 70 8.210 26.369 -3.767 1.00 0.00 C ATOM 1065 O GLU A 70 7.999 25.181 -3.965 1.00 0.00 O ATOM 1066 CB GLU A 70 10.114 27.633 -2.734 1.00 0.00 C ATOM 1067 CG GLU A 70 10.840 26.651 -1.808 1.00 0.00 C ATOM 1068 CD GLU A 70 9.869 25.643 -1.185 1.00 0.00 C ATOM 1069 OE1 GLU A 70 8.959 26.082 -0.440 1.00 0.00 O ATOM 1070 OE2 GLU A 70 9.997 24.439 -1.486 1.00 0.00 O ATOM 0 H GLU A 70 9.978 28.900 -4.783 1.00 0.00 H new ATOM 0 HA GLU A 70 10.237 26.204 -4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.798 28.439 -2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.285 28.084 -2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.607 26.119 -2.370 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.349 27.203 -1.018 1.00 0.00 H new ATOM 1077 N SER A 71 7.254 27.248 -3.491 1.00 0.00 N ATOM 1078 CA SER A 71 5.823 26.955 -3.356 1.00 0.00 C ATOM 1079 C SER A 71 5.314 25.984 -4.417 1.00 0.00 C ATOM 1080 O SER A 71 4.625 25.017 -4.105 1.00 0.00 O ATOM 1081 CB SER A 71 5.024 28.252 -3.467 1.00 0.00 C ATOM 1082 OG SER A 71 3.679 28.011 -3.113 1.00 0.00 O ATOM 0 H SER A 71 7.461 28.236 -3.347 1.00 0.00 H new ATOM 0 HA SER A 71 5.688 26.487 -2.381 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.452 29.012 -2.813 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.079 28.639 -4.484 1.00 0.00 H new ATOM 0 HG SER A 71 3.168 28.844 -3.183 1.00 0.00 H new ATOM 1088 N LYS A 72 5.687 26.210 -5.681 1.00 0.00 N ATOM 1089 CA LYS A 72 5.209 25.402 -6.807 1.00 0.00 C ATOM 1090 C LYS A 72 5.880 24.029 -6.929 1.00 0.00 C ATOM 1091 O LYS A 72 5.273 23.080 -7.423 1.00 0.00 O ATOM 1092 CB LYS A 72 5.312 26.168 -8.127 1.00 0.00 C ATOM 1093 CG LYS A 72 4.108 25.718 -8.981 1.00 0.00 C ATOM 1094 CD LYS A 72 4.271 25.926 -10.475 1.00 0.00 C ATOM 1095 CE LYS A 72 4.340 27.403 -10.850 1.00 0.00 C ATOM 1096 NZ LYS A 72 4.355 27.508 -12.317 1.00 0.00 N ATOM 0 H LYS A 72 6.327 26.956 -5.952 1.00 0.00 H new ATOM 0 HA LYS A 72 4.160 25.205 -6.587 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.287 27.244 -7.956 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.252 25.947 -8.633 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.924 24.660 -8.794 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.222 26.259 -8.648 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.178 25.425 -10.812 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.436 25.459 -10.998 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.484 27.939 -10.440 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.235 27.860 -10.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.521 28.497 -12.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.114 26.910 -12.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.440 27.192 -12.697 1.00 0.00 H new ATOM 1110 N PHE A 73 7.115 23.916 -6.457 1.00 0.00 N ATOM 1111 CA PHE A 73 7.743 22.618 -6.180 1.00 0.00 C ATOM 1112 C PHE A 73 7.060 21.925 -4.994 1.00 0.00 C ATOM 1113 O PHE A 73 6.497 20.831 -5.127 1.00 0.00 O ATOM 1114 CB PHE A 73 9.255 22.831 -5.967 1.00 0.00 C ATOM 1115 CG PHE A 73 9.967 21.731 -5.206 1.00 0.00 C ATOM 1116 CD1 PHE A 73 10.298 20.521 -5.842 1.00 0.00 C ATOM 1117 CD2 PHE A 73 10.297 21.922 -3.851 1.00 0.00 C ATOM 1118 CE1 PHE A 73 10.958 19.511 -5.122 1.00 0.00 C ATOM 1119 CE2 PHE A 73 10.943 20.907 -3.128 1.00 0.00 C ATOM 1120 CZ PHE A 73 11.272 19.698 -3.762 1.00 0.00 C ATOM 0 H PHE A 73 7.714 24.716 -6.254 1.00 0.00 H new ATOM 0 HA PHE A 73 7.616 21.947 -7.030 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.730 22.941 -6.942 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.401 23.771 -5.434 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.046 20.369 -6.881 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.052 22.855 -3.365 1.00 0.00 H new ATOM 0 HE1 PHE A 73 11.226 18.587 -5.614 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.186 21.056 -2.086 1.00 0.00 H new ATOM 0 HZ PHE A 73 11.765 18.913 -3.208 1.00 0.00 H new ATOM 1130 N ARG A 74 7.030 22.577 -3.832 1.00 0.00 N ATOM 1131 CA ARG A 74 6.509 22.031 -2.587 1.00 0.00 C ATOM 1132 C ARG A 74 5.016 21.740 -2.624 1.00 0.00 C ATOM 1133 O ARG A 74 4.601 20.879 -1.861 1.00 0.00 O ATOM 1134 CB ARG A 74 6.894 22.942 -1.402 1.00 0.00 C ATOM 1135 CG ARG A 74 7.757 22.157 -0.399 1.00 0.00 C ATOM 1136 CD ARG A 74 8.178 22.967 0.831 1.00 0.00 C ATOM 1137 NE ARG A 74 7.039 23.369 1.684 1.00 0.00 N ATOM 1138 CZ ARG A 74 6.820 24.578 2.176 1.00 0.00 C ATOM 1139 NH1 ARG A 74 7.430 25.645 1.751 1.00 0.00 N ATOM 1140 NH2 ARG A 74 5.963 24.756 3.145 1.00 0.00 N ATOM 0 H ARG A 74 7.380 23.530 -3.732 1.00 0.00 H new ATOM 0 HA ARG A 74 6.979 21.058 -2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.442 23.812 -1.764 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.995 23.313 -0.910 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.203 21.278 -0.070 1.00 0.00 H new ATOM 0 HG3 ARG A 74 8.651 21.798 -0.908 1.00 0.00 H new ATOM 0 HD2 ARG A 74 8.877 22.377 1.424 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.711 23.860 0.504 1.00 0.00 H new ATOM 0 HE ARG A 74 6.358 22.646 1.915 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.117 25.575 1.001 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.221 26.552 2.168 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.455 23.959 3.530 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.801 25.692 3.517 1.00 0.00 H new ATOM 1154 N LYS A 75 4.202 22.321 -3.512 1.00 0.00 N ATOM 1155 CA LYS A 75 2.783 21.960 -3.644 1.00 0.00 C ATOM 1156 C LYS A 75 2.612 20.548 -4.185 1.00 0.00 C ATOM 1157 O LYS A 75 1.596 19.920 -3.917 1.00 0.00 O ATOM 1158 CB LYS A 75 1.971 23.017 -4.426 1.00 0.00 C ATOM 1159 CG LYS A 75 2.244 23.142 -5.934 1.00 0.00 C ATOM 1160 CD LYS A 75 1.497 22.150 -6.848 1.00 0.00 C ATOM 1161 CE LYS A 75 1.697 22.549 -8.320 1.00 0.00 C ATOM 1162 NZ LYS A 75 0.895 21.736 -9.276 1.00 0.00 N ATOM 0 H LYS A 75 4.504 23.051 -4.157 1.00 0.00 H new ATOM 0 HA LYS A 75 2.357 21.958 -2.641 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.912 22.796 -4.292 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.154 23.989 -3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.987 24.154 -6.245 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.314 23.020 -6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.867 21.138 -6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.435 22.145 -6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.434 23.600 -8.441 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.753 22.453 -8.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.247 21.889 -10.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.981 20.729 -9.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.104 22.022 -9.222 1.00 0.00 H new ATOM 1176 N LEU A 76 3.623 20.036 -4.898 1.00 0.00 N ATOM 1177 CA LEU A 76 3.647 18.640 -5.319 1.00 0.00 C ATOM 1178 C LEU A 76 4.330 17.774 -4.291 1.00 0.00 C ATOM 1179 O LEU A 76 3.724 16.813 -3.825 1.00 0.00 O ATOM 1180 CB LEU A 76 4.287 18.558 -6.718 1.00 0.00 C ATOM 1181 CG LEU A 76 4.027 17.245 -7.482 1.00 0.00 C ATOM 1182 CD1 LEU A 76 4.163 17.481 -8.986 1.00 0.00 C ATOM 1183 CD2 LEU A 76 5.011 16.133 -7.112 1.00 0.00 C ATOM 0 H LEU A 76 4.437 20.575 -5.194 1.00 0.00 H new ATOM 0 HA LEU A 76 2.633 18.248 -5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.917 19.389 -7.319 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.364 18.693 -6.616 1.00 0.00 H new ATOM 0 HG LEU A 76 3.020 16.932 -7.206 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.978 16.548 -9.519 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.438 18.231 -9.304 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.170 17.833 -9.209 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.776 15.235 -7.683 1.00 0.00 H new ATOM 0 HD22 LEU A 76 6.027 16.454 -7.343 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.932 15.917 -6.047 1.00 0.00 H new ATOM 1195 N VAL A 77 5.538 18.141 -3.878 1.00 0.00 N ATOM 1196 CA VAL A 77 6.258 17.290 -2.906 1.00 0.00 C ATOM 1197 C VAL A 77 5.461 17.119 -1.615 1.00 0.00 C ATOM 1198 O VAL A 77 5.254 15.995 -1.163 1.00 0.00 O ATOM 1199 CB VAL A 77 7.701 17.754 -2.652 1.00 0.00 C ATOM 1200 CG1 VAL A 77 8.399 16.964 -1.539 1.00 0.00 C ATOM 1201 CG2 VAL A 77 8.499 17.517 -3.935 1.00 0.00 C ATOM 0 H VAL A 77 6.032 18.982 -4.178 1.00 0.00 H new ATOM 0 HA VAL A 77 6.348 16.304 -3.362 1.00 0.00 H new ATOM 0 HB VAL A 77 7.660 18.801 -2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.414 17.339 -1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.846 17.082 -0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.434 15.909 -1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.530 17.837 -3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.481 16.456 -4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.055 18.089 -4.750 1.00 0.00 H new ATOM 1211 N THR A 78 4.884 18.203 -1.094 1.00 0.00 N ATOM 1212 CA THR A 78 4.071 18.163 0.125 1.00 0.00 C ATOM 1213 C THR A 78 2.801 17.358 -0.073 1.00 0.00 C ATOM 1214 O THR A 78 2.402 16.632 0.834 1.00 0.00 O ATOM 1215 CB THR A 78 3.705 19.563 0.653 1.00 0.00 C ATOM 1216 OG1 THR A 78 4.851 20.374 0.759 1.00 0.00 O ATOM 1217 CG2 THR A 78 3.072 19.544 2.045 1.00 0.00 C ATOM 0 H THR A 78 4.966 19.133 -1.504 1.00 0.00 H new ATOM 0 HA THR A 78 4.698 17.675 0.871 1.00 0.00 H new ATOM 0 HB THR A 78 2.988 19.951 -0.070 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.063 20.757 -0.118 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.840 20.563 2.353 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.155 18.955 2.020 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.769 19.100 2.756 1.00 0.00 H new ATOM 1225 N ALA A 79 2.187 17.417 -1.257 1.00 0.00 N ATOM 1226 CA ALA A 79 0.959 16.657 -1.475 1.00 0.00 C ATOM 1227 C ALA A 79 1.199 15.148 -1.518 1.00 0.00 C ATOM 1228 O ALA A 79 0.396 14.366 -1.008 1.00 0.00 O ATOM 1229 CB ALA A 79 0.246 17.170 -2.728 1.00 0.00 C ATOM 0 H ALA A 79 2.508 17.965 -2.055 1.00 0.00 H new ATOM 0 HA ALA A 79 0.306 16.819 -0.618 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.669 16.599 -2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.001 18.224 -2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.900 17.053 -3.592 1.00 0.00 H new ATOM 1235 N ILE A 80 2.359 14.749 -2.031 1.00 0.00 N ATOM 1236 CA ILE A 80 2.771 13.346 -2.027 1.00 0.00 C ATOM 1237 C ILE A 80 3.183 12.909 -0.613 1.00 0.00 C ATOM 1238 O ILE A 80 2.897 11.783 -0.214 1.00 0.00 O ATOM 1239 CB ILE A 80 3.888 13.122 -3.063 1.00 0.00 C ATOM 1240 CG1 ILE A 80 3.477 13.472 -4.513 1.00 0.00 C ATOM 1241 CG2 ILE A 80 4.381 11.670 -3.010 1.00 0.00 C ATOM 1242 CD1 ILE A 80 2.350 12.624 -5.114 1.00 0.00 C ATOM 0 H ILE A 80 3.036 15.381 -2.458 1.00 0.00 H new ATOM 0 HA ILE A 80 1.928 12.719 -2.317 1.00 0.00 H new ATOM 0 HB ILE A 80 4.689 13.809 -2.788 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.172 14.518 -4.541 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.355 13.379 -5.151 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.170 11.527 -3.748 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.771 11.454 -2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.553 10.996 -3.229 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.146 12.958 -6.131 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.651 11.577 -5.129 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.450 12.734 -4.509 1.00 0.00 H new ATOM 1254 N LYS A 81 3.793 13.798 0.188 1.00 0.00 N ATOM 1255 CA LYS A 81 4.238 13.527 1.561 1.00 0.00 C ATOM 1256 C LYS A 81 3.045 13.374 2.502 1.00 0.00 C ATOM 1257 O LYS A 81 3.083 12.543 3.401 1.00 0.00 O ATOM 1258 CB LYS A 81 5.137 14.680 2.030 1.00 0.00 C ATOM 1259 CG LYS A 81 6.481 14.716 1.288 1.00 0.00 C ATOM 1260 CD LYS A 81 7.769 14.502 2.082 1.00 0.00 C ATOM 1261 CE LYS A 81 7.911 13.251 2.953 1.00 0.00 C ATOM 1262 NZ LYS A 81 9.346 13.024 3.270 1.00 0.00 N ATOM 0 H LYS A 81 3.995 14.752 -0.112 1.00 0.00 H new ATOM 0 HA LYS A 81 4.797 12.591 1.576 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.617 15.626 1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 81 5.319 14.583 3.100 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.446 13.957 0.506 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.557 15.683 0.791 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.596 14.503 1.372 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.903 15.369 2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.339 13.370 3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.502 12.385 2.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.440 12.731 4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.724 12.278 2.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.879 13.904 3.117 1.00 0.00 H new ATOM 1276 N ALA A 82 1.993 14.160 2.270 1.00 0.00 N ATOM 1277 CA ALA A 82 0.729 14.090 3.000 1.00 0.00 C ATOM 1278 C ALA A 82 0.008 12.762 2.719 1.00 0.00 C ATOM 1279 O ALA A 82 -0.319 12.020 3.646 1.00 0.00 O ATOM 1280 CB ALA A 82 -0.126 15.306 2.621 1.00 0.00 C ATOM 0 H ALA A 82 1.998 14.882 1.549 1.00 0.00 H new ATOM 0 HA ALA A 82 0.916 14.117 4.074 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.073 15.267 3.159 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.404 16.221 2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.317 15.296 1.548 1.00 0.00 H new ATOM 1286 N ALA A 83 -0.149 12.425 1.433 1.00 0.00 N ATOM 1287 CA ALA A 83 -0.706 11.143 1.000 1.00 0.00 C ATOM 1288 C ALA A 83 0.077 9.945 1.557 1.00 0.00 C ATOM 1289 O ALA A 83 -0.505 8.971 2.031 1.00 0.00 O ATOM 1290 CB ALA A 83 -0.774 11.130 -0.532 1.00 0.00 C ATOM 0 H ALA A 83 0.109 13.040 0.661 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.713 11.039 1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.188 10.180 -0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.411 11.945 -0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.228 11.256 -0.942 1.00 0.00 H new ATOM 1296 N LEU A 84 1.401 10.064 1.574 1.00 0.00 N ATOM 1297 CA LEU A 84 2.313 9.070 2.141 1.00 0.00 C ATOM 1298 C LEU A 84 2.087 8.897 3.637 1.00 0.00 C ATOM 1299 O LEU A 84 1.801 7.801 4.096 1.00 0.00 O ATOM 1300 CB LEU A 84 3.758 9.485 1.849 1.00 0.00 C ATOM 1301 CG LEU A 84 4.834 8.607 2.510 1.00 0.00 C ATOM 1302 CD1 LEU A 84 4.604 7.103 2.330 1.00 0.00 C ATOM 1303 CD2 LEU A 84 6.182 8.981 1.904 1.00 0.00 C ATOM 0 H LEU A 84 1.884 10.874 1.185 1.00 0.00 H new ATOM 0 HA LEU A 84 2.115 8.105 1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.913 9.472 0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.898 10.514 2.179 1.00 0.00 H new ATOM 0 HG LEU A 84 4.795 8.795 3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.404 6.551 2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.646 6.826 2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.598 6.860 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.965 8.372 2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.159 8.804 0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.386 10.035 2.094 1.00 0.00 H new ATOM 1315 N ALA A 85 2.198 9.980 4.395 1.00 0.00 N ATOM 1316 CA ALA A 85 2.004 9.978 5.853 1.00 0.00 C ATOM 1317 C ALA A 85 0.635 9.434 6.321 1.00 0.00 C ATOM 1318 O ALA A 85 0.498 8.986 7.457 1.00 0.00 O ATOM 1319 CB ALA A 85 2.262 11.389 6.392 1.00 0.00 C ATOM 0 H ALA A 85 2.428 10.899 4.017 1.00 0.00 H new ATOM 0 HA ALA A 85 2.726 9.275 6.268 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.120 11.397 7.473 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.284 11.687 6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.565 12.088 5.930 1.00 0.00 H new ATOM 1325 N GLN A 86 -0.352 9.415 5.426 1.00 0.00 N ATOM 1326 CA GLN A 86 -1.674 8.813 5.613 1.00 0.00 C ATOM 1327 C GLN A 86 -1.683 7.312 5.284 1.00 0.00 C ATOM 1328 O GLN A 86 -2.251 6.504 6.016 1.00 0.00 O ATOM 1329 CB GLN A 86 -2.683 9.627 4.785 1.00 0.00 C ATOM 1330 CG GLN A 86 -4.143 9.223 5.022 1.00 0.00 C ATOM 1331 CD GLN A 86 -5.097 10.241 4.402 1.00 0.00 C ATOM 1332 OE1 GLN A 86 -5.131 10.465 3.206 1.00 0.00 O ATOM 1333 NE2 GLN A 86 -5.905 10.917 5.190 1.00 0.00 N ATOM 0 H GLN A 86 -0.247 9.840 4.505 1.00 0.00 H new ATOM 0 HA GLN A 86 -1.961 8.857 6.663 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -2.565 10.684 5.022 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.450 9.509 3.727 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.326 8.238 4.593 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.334 9.145 6.092 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.896 10.748 6.196 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.541 11.610 4.795 1.00 0.00 H new ATOM 1342 N CYS A 87 -0.997 6.939 4.210 1.00 0.00 N ATOM 1343 CA CYS A 87 -0.733 5.568 3.781 1.00 0.00 C ATOM 1344 C CYS A 87 0.248 4.800 4.690 1.00 0.00 C ATOM 1345 O CYS A 87 0.194 3.573 4.724 1.00 0.00 O ATOM 1346 CB CYS A 87 -0.172 5.619 2.354 1.00 0.00 C ATOM 1347 SG CYS A 87 -1.449 6.122 1.166 1.00 0.00 S ATOM 0 H CYS A 87 -0.585 7.625 3.577 1.00 0.00 H new ATOM 0 HA CYS A 87 -1.676 5.024 3.835 1.00 0.00 H new ATOM 0 HB2 CYS A 87 0.663 6.319 2.313 1.00 0.00 H new ATOM 0 HB3 CYS A 87 0.219 4.640 2.079 1.00 0.00 H new ATOM 0 HG CYS A 87 -1.490 7.419 1.096 1.00 0.00 H new ATOM 1353 N GLN A 88 1.146 5.479 5.413 1.00 0.00 N ATOM 1354 CA GLN A 88 2.200 4.844 6.229 1.00 0.00 C ATOM 1355 C GLN A 88 1.649 4.133 7.484 1.00 0.00 C ATOM 1356 O GLN A 88 2.371 3.405 8.161 1.00 0.00 O ATOM 1357 CB GLN A 88 3.261 5.890 6.621 1.00 0.00 C ATOM 1358 CG GLN A 88 4.647 5.254 6.828 1.00 0.00 C ATOM 1359 CD GLN A 88 5.531 6.097 7.738 1.00 0.00 C ATOM 1360 OE1 GLN A 88 5.934 7.204 7.421 1.00 0.00 O ATOM 1361 NE2 GLN A 88 5.866 5.617 8.918 1.00 0.00 N ATOM 0 H GLN A 88 1.166 6.498 5.452 1.00 0.00 H new ATOM 0 HA GLN A 88 2.657 4.069 5.614 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.324 6.652 5.844 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.953 6.394 7.537 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.529 4.259 7.257 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.136 5.128 5.862 1.00 0.00 H new ATOM 0 HE21 GLN A 88 5.540 4.694 9.204 1.00 0.00 H new ATOM 0 HE22 GLN A 88 6.451 6.169 9.546 1.00 0.00 H new TER 1370 GLN A 88