USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 744 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 56 ASN : amide:sc= -4.31! C(o=-4!,f=-3.9!) USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 63 GLN : amide:sc= -0.765 K(o=-4,f=-9.9!) USER MOD Set 1.4: A 70 TYR OH : rot -48:sc= 1.06 USER MOD Set 2.1: A 12 THR OG1 : rot 160:sc= -1.41 USER MOD Set 2.2: A 21 GLN : amide:sc= -0.0331 K(o=-1.4,f=-2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -25:sc= -0.115 USER MOD Single : A 8 SER OG : rot 85:sc= -5.68! USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -68:sc= -2.53 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.845 K(o=-0.85,f=-0.23) USER MOD Single : A 22 SER OG : rot -28:sc= -0.727 USER MOD Single : A 25 THR OG1 : rot 30:sc= 0.223 USER MOD Single : A 31 LYS NZ :NH3+ 153:sc= -0.0731 (180deg=-0.443) USER MOD Single : A 34 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.076) USER MOD Single : A 35 TYR OH : rot 90:sc= -1.86! USER MOD Single : A 36 GLN : amide:sc= -0.498 K(o=-0.5,f=-1) USER MOD Single : A 41 SER OG : rot -46:sc= -1.14 USER MOD Single : A 42 GLN : amide:sc= -1.85 K(o=-1.9,f=-0.24) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl 176:sc= -0.375 (180deg=-0.403) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.229 X(o=-0.23,f=-0.031) USER MOD Single : A 69 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.082) USER MOD Single : A 71 CYS SG : rot -96:sc= 1.62 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 87 GLN : amide:sc= -0.393 X(o=-0.39,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 138:sc= -0.174 (180deg=-0.733) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.596 -4.561 -0.423 1.00 0.00 N ATOM 2 CA MET A 1 17.807 -3.391 0.045 1.00 0.00 C ATOM 3 C MET A 1 16.880 -2.877 -1.052 1.00 0.00 C ATOM 4 O MET A 1 17.318 -2.598 -2.168 1.00 0.00 O ATOM 5 CB MET A 1 18.779 -2.291 0.479 1.00 0.00 C ATOM 6 CG MET A 1 18.533 -1.785 1.891 1.00 0.00 C ATOM 7 SD MET A 1 17.294 -0.476 1.954 1.00 0.00 S ATOM 8 CE MET A 1 17.655 0.254 3.549 1.00 0.00 C ATOM 0 H1 MET A 1 19.218 -4.890 0.343 1.00 0.00 H new ATOM 0 H2 MET A 1 17.950 -5.328 -0.698 1.00 0.00 H new ATOM 0 H3 MET A 1 19.173 -4.285 -1.243 1.00 0.00 H new ATOM 0 HA MET A 1 17.182 -3.692 0.886 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.798 -2.671 0.410 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.703 -1.455 -0.216 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.211 -2.615 2.519 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.469 -1.414 2.308 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.970 1.081 3.734 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.535 -0.498 4.329 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.680 0.624 3.556 1.00 0.00 H new ATOM 20 N SER A 2 15.597 -2.754 -0.727 1.00 0.00 N ATOM 21 CA SER A 2 14.608 -2.273 -1.684 1.00 0.00 C ATOM 22 C SER A 2 13.829 -1.092 -1.114 1.00 0.00 C ATOM 23 O SER A 2 14.069 -0.664 0.015 1.00 0.00 O ATOM 24 CB SER A 2 13.644 -3.399 -2.062 1.00 0.00 C ATOM 25 OG SER A 2 14.270 -4.344 -2.912 1.00 0.00 O ATOM 0 H SER A 2 15.218 -2.981 0.192 1.00 0.00 H new ATOM 0 HA SER A 2 15.136 -1.940 -2.578 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.289 -3.896 -1.159 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.769 -2.981 -2.560 1.00 0.00 H new ATOM 0 HG SER A 2 13.633 -5.054 -3.137 1.00 0.00 H new ATOM 31 N GLY A 3 12.896 -0.569 -1.903 1.00 0.00 N ATOM 32 CA GLY A 3 12.097 0.558 -1.460 1.00 0.00 C ATOM 33 C GLY A 3 10.623 0.378 -1.761 1.00 0.00 C ATOM 34 O GLY A 3 10.257 -0.180 -2.796 1.00 0.00 O ATOM 0 H GLY A 3 12.679 -0.906 -2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 3 12.231 0.695 -0.387 1.00 0.00 H new ATOM 0 HA3 GLY A 3 12.455 1.466 -1.945 1.00 0.00 H new ATOM 38 N LEU A 4 9.775 0.853 -0.856 1.00 0.00 N ATOM 39 CA LEU A 4 8.330 0.745 -1.027 1.00 0.00 C ATOM 40 C LEU A 4 7.609 1.761 -0.148 1.00 0.00 C ATOM 41 O LEU A 4 7.872 1.854 1.050 1.00 0.00 O ATOM 42 CB LEU A 4 7.859 -0.670 -0.686 1.00 0.00 C ATOM 43 CG LEU A 4 7.869 -1.656 -1.860 1.00 0.00 C ATOM 44 CD1 LEU A 4 8.795 -2.828 -1.569 1.00 0.00 C ATOM 45 CD2 LEU A 4 6.460 -2.149 -2.156 1.00 0.00 C ATOM 0 H LEU A 4 10.063 1.317 0.005 1.00 0.00 H new ATOM 0 HA LEU A 4 8.092 0.955 -2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 4 8.493 -1.066 0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.846 -0.614 -0.287 1.00 0.00 H new ATOM 0 HG LEU A 4 8.243 -1.135 -2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.788 -3.516 -2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.808 -2.460 -1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.453 -3.349 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.487 -2.848 -2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.058 -2.651 -1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.824 -1.301 -2.412 1.00 0.00 H new ATOM 57 N ARG A 5 6.704 2.525 -0.750 1.00 0.00 N ATOM 58 CA ARG A 5 5.954 3.538 -0.015 1.00 0.00 C ATOM 59 C ARG A 5 4.480 3.165 0.089 1.00 0.00 C ATOM 60 O ARG A 5 3.661 3.599 -0.722 1.00 0.00 O ATOM 61 CB ARG A 5 6.097 4.905 -0.691 1.00 0.00 C ATOM 62 CG ARG A 5 7.466 5.145 -1.307 1.00 0.00 C ATOM 63 CD ARG A 5 7.933 6.575 -1.088 1.00 0.00 C ATOM 64 NE ARG A 5 8.818 7.032 -2.157 1.00 0.00 N ATOM 65 CZ ARG A 5 10.107 6.709 -2.242 1.00 0.00 C ATOM 66 NH1 ARG A 5 10.664 5.928 -1.325 1.00 0.00 N ATOM 67 NH2 ARG A 5 10.840 7.166 -3.248 1.00 0.00 N ATOM 0 H ARG A 5 6.472 2.463 -1.741 1.00 0.00 H new ATOM 0 HA ARG A 5 6.367 3.591 0.992 1.00 0.00 H new ATOM 0 HB2 ARG A 5 5.338 4.997 -1.468 1.00 0.00 H new ATOM 0 HB3 ARG A 5 5.897 5.686 0.043 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.188 4.455 -0.871 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.427 4.933 -2.376 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.067 7.234 -1.028 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.453 6.644 -0.133 1.00 0.00 H new ATOM 0 HE ARG A 5 8.425 7.634 -2.881 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.104 5.572 -0.550 1.00 0.00 H new ATOM 0 HH12 ARG A 5 11.652 5.684 -1.395 1.00 0.00 H new ATOM 0 HH21 ARG A 5 10.416 7.765 -3.957 1.00 0.00 H new ATOM 0 HH22 ARG A 5 11.827 6.919 -3.313 1.00 0.00 H new ATOM 81 N VAL A 6 4.145 2.367 1.097 1.00 0.00 N ATOM 82 CA VAL A 6 2.766 1.947 1.310 1.00 0.00 C ATOM 83 C VAL A 6 2.002 2.998 2.108 1.00 0.00 C ATOM 84 O VAL A 6 2.408 3.372 3.208 1.00 0.00 O ATOM 85 CB VAL A 6 2.693 0.598 2.051 1.00 0.00 C ATOM 86 CG1 VAL A 6 1.254 0.114 2.144 1.00 0.00 C ATOM 87 CG2 VAL A 6 3.566 -0.438 1.360 1.00 0.00 C ATOM 0 H VAL A 6 4.809 1.999 1.778 1.00 0.00 H new ATOM 0 HA VAL A 6 2.310 1.830 0.327 1.00 0.00 H new ATOM 0 HB VAL A 6 3.069 0.742 3.064 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.224 -0.840 2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.658 0.847 2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.847 -0.013 1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.502 -1.384 1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.222 -0.578 0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.601 -0.095 1.352 1.00 0.00 H new ATOM 97 N TYR A 7 0.898 3.476 1.544 1.00 0.00 N ATOM 98 CA TYR A 7 0.085 4.492 2.203 1.00 0.00 C ATOM 99 C TYR A 7 -0.815 3.871 3.265 1.00 0.00 C ATOM 100 O TYR A 7 -1.250 2.727 3.135 1.00 0.00 O ATOM 101 CB TYR A 7 -0.767 5.240 1.176 1.00 0.00 C ATOM 102 CG TYR A 7 -0.016 6.322 0.433 1.00 0.00 C ATOM 103 CD1 TYR A 7 0.169 7.578 0.997 1.00 0.00 C ATOM 104 CD2 TYR A 7 0.508 6.087 -0.832 1.00 0.00 C ATOM 105 CE1 TYR A 7 0.854 8.570 0.321 1.00 0.00 C ATOM 106 CE2 TYR A 7 1.194 7.074 -1.514 1.00 0.00 C ATOM 107 CZ TYR A 7 1.364 8.313 -0.933 1.00 0.00 C ATOM 108 OH TYR A 7 2.047 9.298 -1.609 1.00 0.00 O ATOM 0 H TYR A 7 0.546 3.177 0.634 1.00 0.00 H new ATOM 0 HA TYR A 7 0.760 5.195 2.691 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.162 4.524 0.455 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.622 5.687 1.683 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.229 7.783 1.980 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.377 5.118 -1.290 1.00 0.00 H new ATOM 0 HE1 TYR A 7 0.989 9.541 0.773 1.00 0.00 H new ATOM 0 HE2 TYR A 7 1.595 6.876 -2.497 1.00 0.00 H new ATOM 0 HH TYR A 7 1.751 10.177 -1.293 1.00 0.00 H new ATOM 118 N SER A 8 -1.091 4.638 4.313 1.00 0.00 N ATOM 119 CA SER A 8 -1.942 4.169 5.400 1.00 0.00 C ATOM 120 C SER A 8 -2.623 5.340 6.101 1.00 0.00 C ATOM 121 O SER A 8 -2.425 6.497 5.731 1.00 0.00 O ATOM 122 CB SER A 8 -1.122 3.362 6.408 1.00 0.00 C ATOM 123 OG SER A 8 -0.453 4.214 7.322 1.00 0.00 O ATOM 0 H SER A 8 -0.738 5.587 4.433 1.00 0.00 H new ATOM 0 HA SER A 8 -2.712 3.526 4.973 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.777 2.682 6.953 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.393 2.747 5.879 1.00 0.00 H new ATOM 0 HG SER A 8 -1.055 4.436 8.063 1.00 0.00 H new ATOM 129 N THR A 9 -3.426 5.031 7.114 1.00 0.00 N ATOM 130 CA THR A 9 -4.136 6.059 7.867 1.00 0.00 C ATOM 131 C THR A 9 -4.014 5.816 9.367 1.00 0.00 C ATOM 132 O THR A 9 -4.743 5.003 9.936 1.00 0.00 O ATOM 133 CB THR A 9 -5.611 6.088 7.462 1.00 0.00 C ATOM 134 OG1 THR A 9 -6.333 7.004 8.266 1.00 0.00 O ATOM 135 CG2 THR A 9 -6.290 4.741 7.578 1.00 0.00 C ATOM 0 H THR A 9 -3.601 4.078 7.432 1.00 0.00 H new ATOM 0 HA THR A 9 -3.683 7.023 7.635 1.00 0.00 H new ATOM 0 HB THR A 9 -5.618 6.391 6.415 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.274 7.010 7.991 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.333 4.832 7.276 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.786 4.023 6.931 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.240 4.396 8.611 1.00 0.00 H new ATOM 143 N SER A 10 -3.088 6.526 10.004 1.00 0.00 N ATOM 144 CA SER A 10 -2.872 6.388 11.440 1.00 0.00 C ATOM 145 C SER A 10 -4.147 6.705 12.216 1.00 0.00 C ATOM 146 O SER A 10 -4.385 6.152 13.290 1.00 0.00 O ATOM 147 CB SER A 10 -1.740 7.308 11.899 1.00 0.00 C ATOM 148 OG SER A 10 -1.232 6.904 13.159 1.00 0.00 O ATOM 0 H SER A 10 -2.475 7.203 9.549 1.00 0.00 H new ATOM 0 HA SER A 10 -2.593 5.354 11.641 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.938 7.299 11.161 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.104 8.334 11.962 1.00 0.00 H new ATOM 0 HG SER A 10 -0.509 7.508 13.429 1.00 0.00 H new ATOM 154 N VAL A 11 -4.962 7.599 11.666 1.00 0.00 N ATOM 155 CA VAL A 11 -6.212 7.990 12.306 1.00 0.00 C ATOM 156 C VAL A 11 -7.407 7.692 11.405 1.00 0.00 C ATOM 157 O VAL A 11 -7.956 8.590 10.767 1.00 0.00 O ATOM 158 CB VAL A 11 -6.215 9.487 12.667 1.00 0.00 C ATOM 159 CG1 VAL A 11 -7.436 9.833 13.504 1.00 0.00 C ATOM 160 CG2 VAL A 11 -4.935 9.863 13.397 1.00 0.00 C ATOM 0 H VAL A 11 -4.779 8.066 10.778 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.295 7.404 13.221 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.262 10.064 11.743 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.420 10.895 13.749 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.340 9.604 12.940 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.424 9.248 14.424 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.955 10.924 13.644 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.854 9.279 14.314 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.077 9.656 12.757 1.00 0.00 H new ATOM 170 N THR A 12 -7.804 6.424 11.358 1.00 0.00 N ATOM 171 CA THR A 12 -8.934 6.008 10.535 1.00 0.00 C ATOM 172 C THR A 12 -10.256 6.405 11.185 1.00 0.00 C ATOM 173 O THR A 12 -10.284 6.871 12.324 1.00 0.00 O ATOM 174 CB THR A 12 -8.897 4.495 10.310 1.00 0.00 C ATOM 175 OG1 THR A 12 -7.562 4.025 10.280 1.00 0.00 O ATOM 176 CG2 THR A 12 -9.565 4.066 9.022 1.00 0.00 C ATOM 0 H THR A 12 -7.360 5.668 11.879 1.00 0.00 H new ATOM 0 HA THR A 12 -8.857 6.514 9.573 1.00 0.00 H new ATOM 0 HB THR A 12 -9.447 4.065 11.147 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.550 3.061 10.457 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.504 2.982 8.924 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.612 4.370 9.036 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.062 4.536 8.177 1.00 0.00 H new ATOM 184 N GLY A 13 -11.349 6.217 10.452 1.00 0.00 N ATOM 185 CA GLY A 13 -12.659 6.560 10.974 1.00 0.00 C ATOM 186 C GLY A 13 -13.754 5.661 10.435 1.00 0.00 C ATOM 187 O GLY A 13 -14.914 6.065 10.354 1.00 0.00 O ATOM 0 H GLY A 13 -11.351 5.834 9.507 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -12.642 6.493 12.062 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.887 7.596 10.722 1.00 0.00 H new ATOM 191 N SER A 14 -13.386 4.439 10.064 1.00 0.00 N ATOM 192 CA SER A 14 -14.347 3.480 9.530 1.00 0.00 C ATOM 193 C SER A 14 -14.124 2.095 10.132 1.00 0.00 C ATOM 194 O SER A 14 -13.330 1.932 11.058 1.00 0.00 O ATOM 195 CB SER A 14 -14.241 3.417 8.005 1.00 0.00 C ATOM 196 OG SER A 14 -12.942 3.027 7.598 1.00 0.00 O ATOM 0 H SER A 14 -12.430 4.089 10.123 1.00 0.00 H new ATOM 0 HA SER A 14 -15.349 3.814 9.801 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.974 2.711 7.616 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.481 4.392 7.581 1.00 0.00 H new ATOM 0 HG SER A 14 -12.304 3.738 7.817 1.00 0.00 H new ATOM 202 N ARG A 15 -14.834 1.103 9.604 1.00 0.00 N ATOM 203 CA ARG A 15 -14.716 -0.269 10.096 1.00 0.00 C ATOM 204 C ARG A 15 -14.250 -1.223 9.010 1.00 0.00 C ATOM 205 O ARG A 15 -13.865 -2.361 9.278 1.00 0.00 O ATOM 206 CB ARG A 15 -16.053 -0.743 10.654 1.00 0.00 C ATOM 207 CG ARG A 15 -16.488 -0.004 11.909 1.00 0.00 C ATOM 208 CD ARG A 15 -17.938 -0.302 12.256 1.00 0.00 C ATOM 209 NE ARG A 15 -18.238 -1.730 12.180 1.00 0.00 N ATOM 210 CZ ARG A 15 -17.800 -2.628 13.059 1.00 0.00 C ATOM 211 NH1 ARG A 15 -17.045 -2.251 14.083 1.00 0.00 N ATOM 212 NH2 ARG A 15 -18.119 -3.907 12.914 1.00 0.00 N ATOM 0 H ARG A 15 -15.496 1.221 8.837 1.00 0.00 H new ATOM 0 HA ARG A 15 -13.965 -0.268 10.886 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.819 -0.623 9.888 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -15.987 -1.808 10.875 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.847 -0.291 12.742 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -16.361 1.069 11.764 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -18.152 0.060 13.262 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.593 0.242 11.575 1.00 0.00 H new ATOM 0 HE ARG A 15 -18.818 -2.058 11.407 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -16.797 -1.268 14.200 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -16.712 -2.944 14.754 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -18.700 -4.202 12.129 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -17.784 -4.596 13.587 1.00 0.00 H new ATOM 226 N GLU A 16 -14.291 -0.740 7.795 1.00 0.00 N ATOM 227 CA GLU A 16 -13.878 -1.519 6.633 1.00 0.00 C ATOM 228 C GLU A 16 -12.449 -1.172 6.231 1.00 0.00 C ATOM 229 O GLU A 16 -11.734 -1.998 5.662 1.00 0.00 O ATOM 230 CB GLU A 16 -14.827 -1.267 5.460 1.00 0.00 C ATOM 231 CG GLU A 16 -16.118 -2.065 5.540 1.00 0.00 C ATOM 232 CD GLU A 16 -17.222 -1.474 4.685 1.00 0.00 C ATOM 233 OE1 GLU A 16 -17.145 -1.600 3.445 1.00 0.00 O ATOM 234 OE2 GLU A 16 -18.164 -0.885 5.257 1.00 0.00 O ATOM 0 H GLU A 16 -14.610 0.203 7.573 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.917 -2.575 6.900 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -15.068 -0.205 5.420 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.315 -1.513 4.530 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -15.927 -3.090 5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.450 -2.108 6.577 1.00 0.00 H new ATOM 241 N ILE A 17 -12.039 0.056 6.531 1.00 0.00 N ATOM 242 CA ILE A 17 -10.696 0.517 6.204 1.00 0.00 C ATOM 243 C ILE A 17 -9.682 0.027 7.233 1.00 0.00 C ATOM 244 O ILE A 17 -8.534 -0.264 6.898 1.00 0.00 O ATOM 245 CB ILE A 17 -10.640 2.056 6.128 1.00 0.00 C ATOM 246 CG1 ILE A 17 -11.658 2.573 5.109 1.00 0.00 C ATOM 247 CG2 ILE A 17 -9.236 2.524 5.768 1.00 0.00 C ATOM 248 CD1 ILE A 17 -11.630 4.076 4.933 1.00 0.00 C ATOM 0 H ILE A 17 -12.619 0.751 7.001 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.443 0.103 5.228 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.893 2.461 7.108 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.468 2.099 4.146 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.658 2.271 5.421 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.217 3.613 5.719 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.533 2.182 6.527 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.952 2.112 4.799 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.378 4.370 4.196 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.850 4.558 5.886 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.642 4.384 4.590 1.00 0.00 H new ATOM 260 N LYS A 18 -10.114 -0.061 8.486 1.00 0.00 N ATOM 261 CA LYS A 18 -9.244 -0.516 9.564 1.00 0.00 C ATOM 262 C LYS A 18 -8.764 -1.941 9.312 1.00 0.00 C ATOM 263 O LYS A 18 -7.663 -2.316 9.716 1.00 0.00 O ATOM 264 CB LYS A 18 -9.977 -0.439 10.906 1.00 0.00 C ATOM 265 CG LYS A 18 -9.669 0.823 11.695 1.00 0.00 C ATOM 266 CD LYS A 18 -10.801 1.174 12.648 1.00 0.00 C ATOM 267 CE LYS A 18 -10.272 1.664 13.986 1.00 0.00 C ATOM 268 NZ LYS A 18 -11.373 1.947 14.948 1.00 0.00 N ATOM 0 H LYS A 18 -11.061 0.177 8.780 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.373 0.139 9.596 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.051 -0.493 10.728 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.709 -1.308 11.507 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.747 0.685 12.259 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.501 1.652 11.007 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.429 1.944 12.200 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.432 0.299 12.804 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.604 0.914 14.409 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.681 2.567 13.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.971 2.279 15.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.997 2.681 14.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.922 1.079 15.113 1.00 0.00 H new ATOM 282 N SER A 19 -9.596 -2.732 8.642 1.00 0.00 N ATOM 283 CA SER A 19 -9.254 -4.117 8.336 1.00 0.00 C ATOM 284 C SER A 19 -8.584 -4.224 6.970 1.00 0.00 C ATOM 285 O SER A 19 -7.759 -5.108 6.740 1.00 0.00 O ATOM 286 CB SER A 19 -10.508 -4.992 8.372 1.00 0.00 C ATOM 287 OG SER A 19 -10.182 -6.338 8.675 1.00 0.00 O ATOM 0 H SER A 19 -10.511 -2.438 8.301 1.00 0.00 H new ATOM 0 HA SER A 19 -8.552 -4.468 9.092 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.203 -4.606 9.118 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.016 -4.945 7.409 1.00 0.00 H new ATOM 0 HG SER A 19 -11.001 -6.877 8.694 1.00 0.00 H new ATOM 293 N GLN A 20 -8.946 -3.320 6.065 1.00 0.00 N ATOM 294 CA GLN A 20 -8.380 -3.315 4.721 1.00 0.00 C ATOM 295 C GLN A 20 -6.907 -2.919 4.749 1.00 0.00 C ATOM 296 O GLN A 20 -6.121 -3.356 3.909 1.00 0.00 O ATOM 297 CB GLN A 20 -9.165 -2.357 3.820 1.00 0.00 C ATOM 298 CG GLN A 20 -9.934 -3.058 2.712 1.00 0.00 C ATOM 299 CD GLN A 20 -11.215 -3.698 3.207 1.00 0.00 C ATOM 300 OE1 GLN A 20 -11.235 -4.875 3.570 1.00 0.00 O ATOM 301 NE2 GLN A 20 -12.295 -2.925 3.224 1.00 0.00 N ATOM 0 H GLN A 20 -9.628 -2.582 6.238 1.00 0.00 H new ATOM 0 HA GLN A 20 -8.454 -4.325 4.318 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.864 -1.787 4.432 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -8.474 -1.641 3.375 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.171 -2.339 1.928 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.300 -3.822 2.262 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.233 -1.955 2.914 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -13.186 -3.301 3.547 1.00 0.00 H new ATOM 310 N GLN A 21 -6.540 -2.087 5.719 1.00 0.00 N ATOM 311 CA GLN A 21 -5.160 -1.632 5.853 1.00 0.00 C ATOM 312 C GLN A 21 -4.372 -2.544 6.787 1.00 0.00 C ATOM 313 O GLN A 21 -3.172 -2.750 6.602 1.00 0.00 O ATOM 314 CB GLN A 21 -5.123 -0.193 6.373 1.00 0.00 C ATOM 315 CG GLN A 21 -5.880 0.003 7.678 1.00 0.00 C ATOM 316 CD GLN A 21 -4.979 0.442 8.816 1.00 0.00 C ATOM 317 OE1 GLN A 21 -3.867 -0.062 8.973 1.00 0.00 O ATOM 318 NE2 GLN A 21 -5.456 1.388 9.616 1.00 0.00 N ATOM 0 H GLN A 21 -7.178 -1.715 6.423 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.696 -1.667 4.867 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -4.085 0.106 6.517 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.543 0.469 5.616 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.662 0.748 7.531 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.374 -0.929 7.950 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.384 1.778 9.448 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.895 1.725 10.398 1.00 0.00 H new ATOM 327 N SER A 22 -5.052 -3.089 7.790 1.00 0.00 N ATOM 328 CA SER A 22 -4.413 -3.979 8.753 1.00 0.00 C ATOM 329 C SER A 22 -3.941 -5.263 8.078 1.00 0.00 C ATOM 330 O SER A 22 -2.940 -5.855 8.479 1.00 0.00 O ATOM 331 CB SER A 22 -5.380 -4.313 9.890 1.00 0.00 C ATOM 332 OG SER A 22 -6.448 -5.124 9.431 1.00 0.00 O ATOM 0 H SER A 22 -6.046 -2.930 7.957 1.00 0.00 H new ATOM 0 HA SER A 22 -3.544 -3.465 9.163 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.844 -4.829 10.687 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.776 -3.392 10.317 1.00 0.00 H new ATOM 0 HG SER A 22 -6.610 -4.945 8.481 1.00 0.00 H new ATOM 338 N GLU A 23 -4.670 -5.688 7.051 1.00 0.00 N ATOM 339 CA GLU A 23 -4.326 -6.902 6.321 1.00 0.00 C ATOM 340 C GLU A 23 -3.042 -6.711 5.521 1.00 0.00 C ATOM 341 O GLU A 23 -2.173 -7.584 5.506 1.00 0.00 O ATOM 342 CB GLU A 23 -5.469 -7.300 5.385 1.00 0.00 C ATOM 343 CG GLU A 23 -5.505 -8.785 5.066 1.00 0.00 C ATOM 344 CD GLU A 23 -5.946 -9.625 6.249 1.00 0.00 C ATOM 345 OE1 GLU A 23 -5.108 -9.885 7.138 1.00 0.00 O ATOM 346 OE2 GLU A 23 -7.129 -10.022 6.287 1.00 0.00 O ATOM 0 H GLU A 23 -5.502 -5.210 6.706 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.165 -7.699 7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.417 -7.011 5.839 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.378 -6.739 4.455 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.183 -8.957 4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.515 -9.108 4.745 1.00 0.00 H new ATOM 353 N VAL A 24 -2.928 -5.565 4.858 1.00 0.00 N ATOM 354 CA VAL A 24 -1.749 -5.260 4.056 1.00 0.00 C ATOM 355 C VAL A 24 -0.481 -5.310 4.901 1.00 0.00 C ATOM 356 O VAL A 24 0.481 -5.997 4.556 1.00 0.00 O ATOM 357 CB VAL A 24 -1.859 -3.870 3.401 1.00 0.00 C ATOM 358 CG1 VAL A 24 -0.718 -3.649 2.419 1.00 0.00 C ATOM 359 CG2 VAL A 24 -3.205 -3.712 2.709 1.00 0.00 C ATOM 0 H VAL A 24 -3.638 -4.832 4.860 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.694 -6.019 3.276 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.786 -3.114 4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.813 -2.662 1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.234 -3.716 2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.756 -4.410 1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.265 -2.724 2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.310 -4.476 1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.005 -3.823 3.441 1.00 0.00 H new ATOM 369 N THR A 25 -0.486 -4.580 6.011 1.00 0.00 N ATOM 370 CA THR A 25 0.664 -4.543 6.907 1.00 0.00 C ATOM 371 C THR A 25 0.942 -5.924 7.492 1.00 0.00 C ATOM 372 O THR A 25 2.087 -6.263 7.791 1.00 0.00 O ATOM 373 CB THR A 25 0.426 -3.537 8.035 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.907 -3.617 8.506 1.00 0.00 O ATOM 375 CG2 THR A 25 0.682 -2.104 7.621 1.00 0.00 C ATOM 0 H THR A 25 -1.274 -4.006 6.312 1.00 0.00 H new ATOM 0 HA THR A 25 1.534 -4.231 6.329 1.00 0.00 H new ATOM 0 HB THR A 25 1.137 -3.805 8.817 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.238 -4.533 8.396 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.495 -1.442 8.467 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.718 -1.998 7.299 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.018 -1.839 6.799 1.00 0.00 H new ATOM 383 N ARG A 26 -0.113 -6.716 7.653 1.00 0.00 N ATOM 384 CA ARG A 26 0.017 -8.061 8.203 1.00 0.00 C ATOM 385 C ARG A 26 0.918 -8.924 7.325 1.00 0.00 C ATOM 386 O ARG A 26 1.821 -9.598 7.820 1.00 0.00 O ATOM 387 CB ARG A 26 -1.360 -8.713 8.339 1.00 0.00 C ATOM 388 CG ARG A 26 -1.509 -9.563 9.591 1.00 0.00 C ATOM 389 CD ARG A 26 -2.891 -9.412 10.207 1.00 0.00 C ATOM 390 NE ARG A 26 -3.893 -10.211 9.506 1.00 0.00 N ATOM 391 CZ ARG A 26 -4.050 -11.521 9.678 1.00 0.00 C ATOM 392 NH1 ARG A 26 -3.271 -12.184 10.525 1.00 0.00 N ATOM 393 NH2 ARG A 26 -4.987 -12.171 9.003 1.00 0.00 N ATOM 0 H ARG A 26 -1.067 -6.450 7.411 1.00 0.00 H new ATOM 0 HA ARG A 26 0.473 -7.981 9.190 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.123 -7.934 8.346 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.547 -9.335 7.463 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.332 -10.610 9.344 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.751 -9.275 10.320 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.856 -9.712 11.254 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.185 -8.363 10.186 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.509 -9.737 8.846 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.548 -11.689 11.047 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.396 -13.188 10.653 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.588 -11.667 8.351 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.107 -13.175 9.135 1.00 0.00 H new ATOM 407 N ILE A 27 0.666 -8.898 6.020 1.00 0.00 N ATOM 408 CA ILE A 27 1.455 -9.678 5.075 1.00 0.00 C ATOM 409 C ILE A 27 2.871 -9.124 4.953 1.00 0.00 C ATOM 410 O ILE A 27 3.846 -9.875 4.990 1.00 0.00 O ATOM 411 CB ILE A 27 0.800 -9.699 3.679 1.00 0.00 C ATOM 412 CG1 ILE A 27 -0.668 -10.115 3.787 1.00 0.00 C ATOM 413 CG2 ILE A 27 1.556 -10.640 2.752 1.00 0.00 C ATOM 414 CD1 ILE A 27 -1.413 -10.045 2.472 1.00 0.00 C ATOM 0 H ILE A 27 -0.078 -8.345 5.594 1.00 0.00 H new ATOM 0 HA ILE A 27 1.499 -10.696 5.462 1.00 0.00 H new ATOM 0 HB ILE A 27 0.844 -8.694 3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.722 -11.133 4.172 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.167 -9.473 4.513 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.081 -10.643 1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.588 -10.303 2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.541 -11.648 3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.447 -10.354 2.623 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.391 -9.022 2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.938 -10.709 1.749 1.00 0.00 H new ATOM 426 N LEU A 28 2.976 -7.807 4.811 1.00 0.00 N ATOM 427 CA LEU A 28 4.274 -7.154 4.686 1.00 0.00 C ATOM 428 C LEU A 28 5.134 -7.417 5.917 1.00 0.00 C ATOM 429 O LEU A 28 6.321 -7.725 5.804 1.00 0.00 O ATOM 430 CB LEU A 28 4.092 -5.648 4.488 1.00 0.00 C ATOM 431 CG LEU A 28 3.451 -5.243 3.159 1.00 0.00 C ATOM 432 CD1 LEU A 28 2.588 -4.003 3.338 1.00 0.00 C ATOM 433 CD2 LEU A 28 4.521 -5.001 2.104 1.00 0.00 C ATOM 0 H LEU A 28 2.179 -7.171 4.780 1.00 0.00 H new ATOM 0 HA LEU A 28 4.781 -7.569 3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.479 -5.261 5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.067 -5.166 4.566 1.00 0.00 H new ATOM 0 HG LEU A 28 2.813 -6.060 2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.141 -3.730 2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.800 -4.210 4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.205 -3.179 3.698 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.048 -4.714 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.184 -4.202 2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.098 -5.914 1.955 1.00 0.00 H new ATOM 445 N ASP A 29 4.526 -7.295 7.093 1.00 0.00 N ATOM 446 CA ASP A 29 5.234 -7.523 8.347 1.00 0.00 C ATOM 447 C ASP A 29 5.629 -8.989 8.485 1.00 0.00 C ATOM 448 O ASP A 29 6.769 -9.306 8.823 1.00 0.00 O ATOM 449 CB ASP A 29 4.364 -7.102 9.533 1.00 0.00 C ATOM 450 CG ASP A 29 5.185 -6.757 10.760 1.00 0.00 C ATOM 451 OD1 ASP A 29 6.142 -7.501 11.062 1.00 0.00 O ATOM 452 OD2 ASP A 29 4.873 -5.742 11.417 1.00 0.00 O ATOM 0 H ASP A 29 3.545 -7.040 7.203 1.00 0.00 H new ATOM 0 HA ASP A 29 6.141 -6.918 8.341 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.760 -6.240 9.249 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.673 -7.909 9.777 1.00 0.00 H new ATOM 457 N GLY A 30 4.679 -9.880 8.216 1.00 0.00 N ATOM 458 CA GLY A 30 4.949 -11.302 8.311 1.00 0.00 C ATOM 459 C GLY A 30 6.079 -11.733 7.398 1.00 0.00 C ATOM 460 O GLY A 30 6.857 -12.625 7.739 1.00 0.00 O ATOM 0 H GLY A 30 3.728 -9.642 7.934 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.200 -11.554 9.341 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.047 -11.859 8.058 1.00 0.00 H new ATOM 464 N LYS A 31 6.172 -11.094 6.237 1.00 0.00 N ATOM 465 CA LYS A 31 7.218 -11.409 5.271 1.00 0.00 C ATOM 466 C LYS A 31 8.576 -10.891 5.741 1.00 0.00 C ATOM 467 O LYS A 31 9.609 -11.214 5.154 1.00 0.00 O ATOM 468 CB LYS A 31 6.877 -10.810 3.906 1.00 0.00 C ATOM 469 CG LYS A 31 5.990 -11.703 3.054 1.00 0.00 C ATOM 470 CD LYS A 31 5.331 -10.923 1.928 1.00 0.00 C ATOM 471 CE LYS A 31 6.102 -11.067 0.625 1.00 0.00 C ATOM 472 NZ LYS A 31 6.064 -12.463 0.109 1.00 0.00 N ATOM 0 H LYS A 31 5.535 -10.354 5.942 1.00 0.00 H new ATOM 0 HA LYS A 31 7.277 -12.494 5.182 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.379 -9.852 4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.802 -10.609 3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.584 -12.515 2.636 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.223 -12.159 3.680 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.309 -11.276 1.788 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.269 -9.870 2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.683 -10.392 -0.121 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.138 -10.766 0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.172 -12.454 -0.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.839 -13.011 0.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.154 -12.901 0.358 1.00 0.00 H new ATOM 486 N ARG A 32 8.571 -10.084 6.802 1.00 0.00 N ATOM 487 CA ARG A 32 9.804 -9.524 7.344 1.00 0.00 C ATOM 488 C ARG A 32 10.449 -8.565 6.349 1.00 0.00 C ATOM 489 O ARG A 32 11.662 -8.591 6.140 1.00 0.00 O ATOM 490 CB ARG A 32 10.786 -10.642 7.706 1.00 0.00 C ATOM 491 CG ARG A 32 10.189 -11.705 8.615 1.00 0.00 C ATOM 492 CD ARG A 32 10.005 -13.027 7.886 1.00 0.00 C ATOM 493 NE ARG A 32 9.025 -13.885 8.547 1.00 0.00 N ATOM 494 CZ ARG A 32 8.421 -14.913 7.955 1.00 0.00 C ATOM 495 NH1 ARG A 32 8.693 -15.214 6.691 1.00 0.00 N ATOM 496 NH2 ARG A 32 7.542 -15.642 8.629 1.00 0.00 N ATOM 0 H ARG A 32 7.726 -9.805 7.301 1.00 0.00 H new ATOM 0 HA ARG A 32 9.553 -8.968 8.247 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.139 -11.115 6.790 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.657 -10.205 8.195 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.838 -11.852 9.478 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.227 -11.361 8.994 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.686 -12.835 6.862 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.962 -13.546 7.830 1.00 0.00 H new ATOM 0 HE ARG A 32 8.790 -13.685 9.519 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.368 -14.656 6.168 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.227 -16.003 6.243 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.329 -15.415 9.600 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.079 -16.430 8.176 1.00 0.00 H new ATOM 510 N ILE A 33 9.629 -7.715 5.738 1.00 0.00 N ATOM 511 CA ILE A 33 10.117 -6.747 4.769 1.00 0.00 C ATOM 512 C ILE A 33 10.463 -5.427 5.445 1.00 0.00 C ATOM 513 O ILE A 33 9.986 -5.131 6.541 1.00 0.00 O ATOM 514 CB ILE A 33 9.079 -6.486 3.660 1.00 0.00 C ATOM 515 CG1 ILE A 33 8.587 -7.807 3.069 1.00 0.00 C ATOM 516 CG2 ILE A 33 9.674 -5.603 2.572 1.00 0.00 C ATOM 517 CD1 ILE A 33 7.584 -7.631 1.950 1.00 0.00 C ATOM 0 H ILE A 33 8.622 -7.679 5.899 1.00 0.00 H new ATOM 0 HA ILE A 33 11.015 -7.172 4.320 1.00 0.00 H new ATOM 0 HB ILE A 33 8.227 -5.966 4.098 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.442 -8.369 2.694 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.135 -8.404 3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.928 -5.428 1.797 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.979 -4.650 3.003 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.542 -6.098 2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.278 -8.609 1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.711 -7.096 2.325 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.039 -7.061 1.140 1.00 0.00 H new ATOM 529 N GLN A 34 11.293 -4.639 4.779 1.00 0.00 N ATOM 530 CA GLN A 34 11.710 -3.343 5.303 1.00 0.00 C ATOM 531 C GLN A 34 11.110 -2.211 4.477 1.00 0.00 C ATOM 532 O GLN A 34 11.765 -1.201 4.216 1.00 0.00 O ATOM 533 CB GLN A 34 13.237 -3.238 5.305 1.00 0.00 C ATOM 534 CG GLN A 34 13.931 -4.479 5.842 1.00 0.00 C ATOM 535 CD GLN A 34 14.915 -5.072 4.852 1.00 0.00 C ATOM 536 OE1 GLN A 34 16.031 -5.445 5.216 1.00 0.00 O ATOM 537 NE2 GLN A 34 14.506 -5.161 3.592 1.00 0.00 N ATOM 0 H GLN A 34 11.694 -4.874 3.871 1.00 0.00 H new ATOM 0 HA GLN A 34 11.348 -3.255 6.327 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.581 -3.051 4.288 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.533 -2.378 5.905 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.456 -4.227 6.764 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.181 -5.228 6.097 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.573 -4.840 3.335 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.125 -5.551 2.881 1.00 0.00 H new ATOM 546 N TYR A 35 9.861 -2.392 4.065 1.00 0.00 N ATOM 547 CA TYR A 35 9.164 -1.393 3.263 1.00 0.00 C ATOM 548 C TYR A 35 8.863 -0.139 4.081 1.00 0.00 C ATOM 549 O TYR A 35 9.003 -0.134 5.304 1.00 0.00 O ATOM 550 CB TYR A 35 7.867 -1.982 2.695 1.00 0.00 C ATOM 551 CG TYR A 35 6.734 -2.065 3.697 1.00 0.00 C ATOM 552 CD1 TYR A 35 6.765 -2.981 4.742 1.00 0.00 C ATOM 553 CD2 TYR A 35 5.634 -1.224 3.597 1.00 0.00 C ATOM 554 CE1 TYR A 35 5.732 -3.055 5.657 1.00 0.00 C ATOM 555 CE2 TYR A 35 4.597 -1.292 4.508 1.00 0.00 C ATOM 556 CZ TYR A 35 4.651 -2.209 5.536 1.00 0.00 C ATOM 557 OH TYR A 35 3.620 -2.279 6.445 1.00 0.00 O ATOM 0 H TYR A 35 9.308 -3.224 4.274 1.00 0.00 H new ATOM 0 HA TYR A 35 9.816 -1.107 2.438 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.545 -1.375 1.849 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.072 -2.981 2.311 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.610 -3.646 4.841 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.588 -0.504 2.793 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.772 -3.773 6.463 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.749 -0.630 4.415 1.00 0.00 H new ATOM 0 HH TYR A 35 3.803 -1.674 7.194 1.00 0.00 H new ATOM 567 N GLN A 36 8.445 0.918 3.394 1.00 0.00 N ATOM 568 CA GLN A 36 8.115 2.180 4.044 1.00 0.00 C ATOM 569 C GLN A 36 6.607 2.300 4.233 1.00 0.00 C ATOM 570 O GLN A 36 5.843 1.497 3.700 1.00 0.00 O ATOM 571 CB GLN A 36 8.637 3.353 3.209 1.00 0.00 C ATOM 572 CG GLN A 36 8.995 4.585 4.026 1.00 0.00 C ATOM 573 CD GLN A 36 9.900 4.270 5.201 1.00 0.00 C ATOM 574 OE1 GLN A 36 10.727 3.361 5.136 1.00 0.00 O ATOM 575 NE2 GLN A 36 9.747 5.024 6.284 1.00 0.00 N ATOM 0 H GLN A 36 8.326 0.925 2.381 1.00 0.00 H new ATOM 0 HA GLN A 36 8.592 2.204 5.024 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.518 3.028 2.656 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.881 3.626 2.472 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.486 5.313 3.380 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.080 5.050 4.393 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.048 5.767 6.294 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.328 4.860 7.106 1.00 0.00 H new ATOM 584 N LEU A 37 6.181 3.304 4.989 1.00 0.00 N ATOM 585 CA LEU A 37 4.768 3.518 5.236 1.00 0.00 C ATOM 586 C LEU A 37 4.431 4.991 5.124 1.00 0.00 C ATOM 587 O LEU A 37 4.528 5.741 6.095 1.00 0.00 O ATOM 588 CB LEU A 37 4.387 2.995 6.617 1.00 0.00 C ATOM 589 CG LEU A 37 2.890 2.771 6.838 1.00 0.00 C ATOM 590 CD1 LEU A 37 2.651 1.500 7.639 1.00 0.00 C ATOM 591 CD2 LEU A 37 2.271 3.970 7.541 1.00 0.00 C ATOM 0 H LEU A 37 6.797 3.981 5.440 1.00 0.00 H new ATOM 0 HA LEU A 37 4.198 2.971 4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.908 2.053 6.788 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.747 3.699 7.367 1.00 0.00 H new ATOM 0 HG LEU A 37 2.412 2.657 5.865 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.580 1.358 7.786 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.059 0.647 7.098 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.142 1.583 8.609 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.206 3.794 7.690 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.754 4.114 8.507 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.409 4.862 6.929 1.00 0.00 H new ATOM 603 N VAL A 38 4.034 5.400 3.931 1.00 0.00 N ATOM 604 CA VAL A 38 3.681 6.788 3.691 1.00 0.00 C ATOM 605 C VAL A 38 2.278 7.070 4.201 1.00 0.00 C ATOM 606 O VAL A 38 1.315 7.105 3.436 1.00 0.00 O ATOM 607 CB VAL A 38 3.766 7.155 2.195 1.00 0.00 C ATOM 608 CG1 VAL A 38 5.212 7.380 1.783 1.00 0.00 C ATOM 609 CG2 VAL A 38 3.120 6.079 1.336 1.00 0.00 C ATOM 0 H VAL A 38 3.948 4.793 3.116 1.00 0.00 H new ATOM 0 HA VAL A 38 4.402 7.402 4.231 1.00 0.00 H new ATOM 0 HB VAL A 38 3.217 8.084 2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.253 7.638 0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.636 8.194 2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.786 6.470 1.957 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.192 6.360 0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.633 5.130 1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.071 5.974 1.612 1.00 0.00 H new ATOM 619 N ASP A 39 2.175 7.263 5.508 1.00 0.00 N ATOM 620 CA ASP A 39 0.889 7.534 6.140 1.00 0.00 C ATOM 621 C ASP A 39 0.484 8.991 5.945 1.00 0.00 C ATOM 622 O ASP A 39 1.154 9.905 6.424 1.00 0.00 O ATOM 623 CB ASP A 39 0.951 7.206 7.633 1.00 0.00 C ATOM 624 CG ASP A 39 -0.409 6.860 8.207 1.00 0.00 C ATOM 625 OD1 ASP A 39 -1.408 7.475 7.777 1.00 0.00 O ATOM 626 OD2 ASP A 39 -0.475 5.976 9.086 1.00 0.00 O ATOM 0 H ASP A 39 2.965 7.237 6.152 1.00 0.00 H new ATOM 0 HA ASP A 39 0.139 6.900 5.667 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.632 6.369 7.790 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.364 8.059 8.172 1.00 0.00 H new ATOM 631 N ILE A 40 -0.617 9.193 5.228 1.00 0.00 N ATOM 632 CA ILE A 40 -1.123 10.533 4.951 1.00 0.00 C ATOM 633 C ILE A 40 -1.821 11.135 6.169 1.00 0.00 C ATOM 634 O ILE A 40 -2.041 12.345 6.231 1.00 0.00 O ATOM 635 CB ILE A 40 -2.105 10.521 3.764 1.00 0.00 C ATOM 636 CG1 ILE A 40 -3.294 9.605 4.064 1.00 0.00 C ATOM 637 CG2 ILE A 40 -1.395 10.076 2.493 1.00 0.00 C ATOM 638 CD1 ILE A 40 -4.364 9.632 2.994 1.00 0.00 C ATOM 0 H ILE A 40 -1.178 8.442 4.827 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.259 11.148 4.700 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.480 11.533 3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.934 8.583 4.181 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.736 9.898 5.016 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.102 10.073 1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.579 10.764 2.272 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.995 9.072 2.632 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.175 8.960 3.273 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.752 10.646 2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.937 9.310 2.044 1.00 0.00 H new ATOM 650 N SER A 41 -2.167 10.290 7.135 1.00 0.00 N ATOM 651 CA SER A 41 -2.839 10.750 8.345 1.00 0.00 C ATOM 652 C SER A 41 -1.982 11.770 9.088 1.00 0.00 C ATOM 653 O SER A 41 -2.500 12.623 9.809 1.00 0.00 O ATOM 654 CB SER A 41 -3.152 9.566 9.262 1.00 0.00 C ATOM 655 OG SER A 41 -1.962 8.941 9.712 1.00 0.00 O ATOM 0 H SER A 41 -1.994 9.285 7.104 1.00 0.00 H new ATOM 0 HA SER A 41 -3.773 11.230 8.052 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.733 9.909 10.118 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.768 8.842 8.729 1.00 0.00 H new ATOM 0 HG SER A 41 -1.352 8.815 8.955 1.00 0.00 H new ATOM 661 N GLN A 42 -0.669 11.677 8.907 1.00 0.00 N ATOM 662 CA GLN A 42 0.262 12.591 9.557 1.00 0.00 C ATOM 663 C GLN A 42 -0.037 14.036 9.172 1.00 0.00 C ATOM 664 O GLN A 42 -0.456 14.838 10.006 1.00 0.00 O ATOM 665 CB GLN A 42 1.699 12.238 9.176 1.00 0.00 C ATOM 666 CG GLN A 42 2.746 13.038 9.936 1.00 0.00 C ATOM 667 CD GLN A 42 3.773 13.675 9.020 1.00 0.00 C ATOM 668 OE1 GLN A 42 4.855 13.129 8.807 1.00 0.00 O ATOM 669 NE2 GLN A 42 3.437 14.838 8.473 1.00 0.00 N ATOM 0 H GLN A 42 -0.225 10.976 8.314 1.00 0.00 H new ATOM 0 HA GLN A 42 0.142 12.489 10.636 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.863 11.176 9.358 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.833 12.403 8.107 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.252 13.816 10.518 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.253 12.384 10.645 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.529 15.254 8.678 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.087 15.315 7.848 1.00 0.00 H new ATOM 678 N ASP A 43 0.183 14.358 7.902 1.00 0.00 N ATOM 679 CA ASP A 43 -0.061 15.706 7.401 1.00 0.00 C ATOM 680 C ASP A 43 -1.160 15.701 6.344 1.00 0.00 C ATOM 681 O ASP A 43 -1.306 14.740 5.589 1.00 0.00 O ATOM 682 CB ASP A 43 1.226 16.296 6.818 1.00 0.00 C ATOM 683 CG ASP A 43 1.815 17.381 7.699 1.00 0.00 C ATOM 684 OD1 ASP A 43 1.547 17.366 8.919 1.00 0.00 O ATOM 685 OD2 ASP A 43 2.544 18.245 7.168 1.00 0.00 O ATOM 0 H ASP A 43 0.530 13.704 7.200 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.389 16.325 8.236 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.960 15.501 6.686 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.019 16.707 5.830 1.00 0.00 H new ATOM 690 N ASN A 44 -1.931 16.782 6.295 1.00 0.00 N ATOM 691 CA ASN A 44 -3.017 16.905 5.330 1.00 0.00 C ATOM 692 C ASN A 44 -2.477 17.011 3.907 1.00 0.00 C ATOM 693 O ASN A 44 -3.175 16.692 2.944 1.00 0.00 O ATOM 694 CB ASN A 44 -3.878 18.127 5.654 1.00 0.00 C ATOM 695 CG ASN A 44 -5.055 17.785 6.547 1.00 0.00 C ATOM 696 OD1 ASN A 44 -5.979 17.084 6.135 1.00 0.00 O ATOM 697 ND2 ASN A 44 -5.026 18.280 7.779 1.00 0.00 N ATOM 0 H ASN A 44 -1.824 17.586 6.913 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.631 16.007 5.398 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.262 18.882 6.142 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.245 18.566 4.726 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.790 18.083 8.426 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.240 18.857 8.079 1.00 0.00 H new ATOM 704 N ALA A 45 -1.232 17.461 3.779 1.00 0.00 N ATOM 705 CA ALA A 45 -0.604 17.607 2.471 1.00 0.00 C ATOM 706 C ALA A 45 -0.463 16.258 1.778 1.00 0.00 C ATOM 707 O ALA A 45 -0.633 16.151 0.564 1.00 0.00 O ATOM 708 CB ALA A 45 0.754 18.278 2.608 1.00 0.00 C ATOM 0 H ALA A 45 -0.639 17.730 4.564 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.246 18.237 1.855 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.210 18.380 1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.629 19.265 3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.397 17.671 3.245 1.00 0.00 H new ATOM 714 N LEU A 46 -0.156 15.229 2.558 1.00 0.00 N ATOM 715 CA LEU A 46 0.002 13.885 2.019 1.00 0.00 C ATOM 716 C LEU A 46 -1.315 13.385 1.435 1.00 0.00 C ATOM 717 O LEU A 46 -1.329 12.644 0.452 1.00 0.00 O ATOM 718 CB LEU A 46 0.491 12.929 3.109 1.00 0.00 C ATOM 719 CG LEU A 46 1.992 12.999 3.405 1.00 0.00 C ATOM 720 CD1 LEU A 46 2.239 13.147 4.898 1.00 0.00 C ATOM 721 CD2 LEU A 46 2.701 11.764 2.867 1.00 0.00 C ATOM 0 H LEU A 46 -0.012 15.300 3.565 1.00 0.00 H new ATOM 0 HA LEU A 46 0.745 13.919 1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.056 13.140 4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.241 11.909 2.816 1.00 0.00 H new ATOM 0 HG LEU A 46 2.398 13.877 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.312 13.195 5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.767 14.062 5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.816 12.291 5.423 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.767 11.832 3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.289 10.873 3.340 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.556 11.702 1.788 1.00 0.00 H new ATOM 733 N ARG A 47 -2.420 13.800 2.046 1.00 0.00 N ATOM 734 CA ARG A 47 -3.745 13.400 1.587 1.00 0.00 C ATOM 735 C ARG A 47 -4.031 13.964 0.199 1.00 0.00 C ATOM 736 O ARG A 47 -4.456 13.239 -0.700 1.00 0.00 O ATOM 737 CB ARG A 47 -4.813 13.873 2.574 1.00 0.00 C ATOM 738 CG ARG A 47 -4.645 13.301 3.972 1.00 0.00 C ATOM 739 CD ARG A 47 -5.945 13.358 4.758 1.00 0.00 C ATOM 740 NE ARG A 47 -5.712 13.525 6.191 1.00 0.00 N ATOM 741 CZ ARG A 47 -6.621 13.258 7.126 1.00 0.00 C ATOM 742 NH1 ARG A 47 -7.823 12.812 6.784 1.00 0.00 N ATOM 743 NH2 ARG A 47 -6.327 13.439 8.406 1.00 0.00 N ATOM 0 H ARG A 47 -2.424 14.414 2.861 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.771 12.312 1.530 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.787 14.961 2.630 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.796 13.596 2.193 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.304 12.268 3.905 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.873 13.857 4.503 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.554 14.184 4.391 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.512 12.443 4.587 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.799 13.866 6.492 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.054 12.672 5.800 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.516 12.609 7.505 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.405 13.783 8.674 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.023 13.235 9.123 1.00 0.00 H new ATOM 757 N ASP A 48 -3.791 15.261 0.030 1.00 0.00 N ATOM 758 CA ASP A 48 -4.021 15.917 -1.253 1.00 0.00 C ATOM 759 C ASP A 48 -2.838 15.734 -2.193 1.00 0.00 C ATOM 760 O ASP A 48 -2.845 16.214 -3.326 1.00 0.00 O ATOM 761 CB ASP A 48 -4.314 17.405 -1.051 1.00 0.00 C ATOM 762 CG ASP A 48 -5.794 17.720 -1.139 1.00 0.00 C ATOM 763 OD1 ASP A 48 -6.309 17.842 -2.270 1.00 0.00 O ATOM 764 OD2 ASP A 48 -6.438 17.845 -0.076 1.00 0.00 O ATOM 0 H ASP A 48 -3.438 15.877 0.763 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.890 15.446 -1.713 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.936 17.718 -0.078 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.777 17.984 -1.803 1.00 0.00 H new ATOM 769 N GLU A 49 -1.834 15.027 -1.713 1.00 0.00 N ATOM 770 CA GLU A 49 -0.636 14.753 -2.496 1.00 0.00 C ATOM 771 C GLU A 49 -0.696 13.347 -3.082 1.00 0.00 C ATOM 772 O GLU A 49 -0.156 13.084 -4.157 1.00 0.00 O ATOM 773 CB GLU A 49 0.615 14.908 -1.629 1.00 0.00 C ATOM 774 CG GLU A 49 1.911 14.631 -2.374 1.00 0.00 C ATOM 775 CD GLU A 49 2.373 13.194 -2.229 1.00 0.00 C ATOM 776 OE1 GLU A 49 1.846 12.486 -1.345 1.00 0.00 O ATOM 777 OE2 GLU A 49 3.263 12.776 -3.000 1.00 0.00 O ATOM 0 H GLU A 49 -1.821 14.626 -0.775 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.586 15.472 -3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.646 15.921 -1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.543 14.231 -0.778 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.774 14.859 -3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.689 15.298 -2.002 1.00 0.00 H new ATOM 784 N MET A 50 -1.362 12.448 -2.365 1.00 0.00 N ATOM 785 CA MET A 50 -1.503 11.066 -2.806 1.00 0.00 C ATOM 786 C MET A 50 -2.656 10.929 -3.793 1.00 0.00 C ATOM 787 O MET A 50 -2.524 10.282 -4.832 1.00 0.00 O ATOM 788 CB MET A 50 -1.733 10.148 -1.604 1.00 0.00 C ATOM 789 CG MET A 50 -1.451 8.683 -1.893 1.00 0.00 C ATOM 790 SD MET A 50 -2.802 7.877 -2.775 1.00 0.00 S ATOM 791 CE MET A 50 -3.897 7.468 -1.418 1.00 0.00 C ATOM 0 H MET A 50 -1.814 12.653 -1.474 1.00 0.00 H new ATOM 0 HA MET A 50 -0.581 10.772 -3.307 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.098 10.476 -0.781 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.766 10.252 -1.271 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.538 8.602 -2.483 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.272 8.159 -0.954 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.813 7.027 -1.810 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.405 6.755 -0.756 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.140 8.373 -0.861 1.00 0.00 H new ATOM 801 N ARG A 51 -3.787 11.543 -3.462 1.00 0.00 N ATOM 802 CA ARG A 51 -4.965 11.492 -4.321 1.00 0.00 C ATOM 803 C ARG A 51 -4.654 12.055 -5.705 1.00 0.00 C ATOM 804 O ARG A 51 -5.255 11.650 -6.699 1.00 0.00 O ATOM 805 CB ARG A 51 -6.119 12.271 -3.686 1.00 0.00 C ATOM 806 CG ARG A 51 -7.071 11.401 -2.883 1.00 0.00 C ATOM 807 CD ARG A 51 -6.541 11.139 -1.483 1.00 0.00 C ATOM 808 NE ARG A 51 -7.478 10.357 -0.680 1.00 0.00 N ATOM 809 CZ ARG A 51 -8.589 10.856 -0.143 1.00 0.00 C ATOM 810 NH1 ARG A 51 -8.905 12.133 -0.319 1.00 0.00 N ATOM 811 NH2 ARG A 51 -9.388 10.075 0.572 1.00 0.00 N ATOM 0 H ARG A 51 -3.913 12.082 -2.605 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.259 10.448 -4.432 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.710 13.044 -3.035 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.679 12.779 -4.471 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.044 11.888 -2.819 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.222 10.453 -3.399 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.590 10.610 -1.549 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.343 12.089 -0.987 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.269 9.371 -0.522 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.295 12.738 -0.869 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.758 12.509 0.095 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.151 9.093 0.710 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.239 10.457 0.984 1.00 0.00 H new ATOM 825 N ALA A 52 -3.712 12.992 -5.760 1.00 0.00 N ATOM 826 CA ALA A 52 -3.322 13.610 -7.021 1.00 0.00 C ATOM 827 C ALA A 52 -2.374 12.708 -7.805 1.00 0.00 C ATOM 828 O ALA A 52 -2.678 12.295 -8.924 1.00 0.00 O ATOM 829 CB ALA A 52 -2.676 14.963 -6.767 1.00 0.00 C ATOM 0 H ALA A 52 -3.205 13.339 -4.946 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.221 13.755 -7.620 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.390 15.414 -7.717 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.385 15.614 -6.256 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.790 14.832 -6.146 1.00 0.00 H new ATOM 835 N LEU A 53 -1.225 12.406 -7.210 1.00 0.00 N ATOM 836 CA LEU A 53 -0.232 11.553 -7.854 1.00 0.00 C ATOM 837 C LEU A 53 -0.814 10.178 -8.167 1.00 0.00 C ATOM 838 O LEU A 53 -0.409 9.526 -9.130 1.00 0.00 O ATOM 839 CB LEU A 53 1.001 11.405 -6.960 1.00 0.00 C ATOM 840 CG LEU A 53 0.772 10.626 -5.664 1.00 0.00 C ATOM 841 CD1 LEU A 53 0.904 9.131 -5.909 1.00 0.00 C ATOM 842 CD2 LEU A 53 1.750 11.080 -4.591 1.00 0.00 C ATOM 0 H LEU A 53 -0.958 12.739 -6.283 1.00 0.00 H new ATOM 0 HA LEU A 53 0.061 12.025 -8.792 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.787 10.909 -7.530 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.369 12.399 -6.708 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.241 10.828 -5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.738 8.593 -4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.165 8.816 -6.646 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.904 8.910 -6.282 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.573 10.516 -3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.771 10.907 -4.932 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.608 12.143 -4.395 1.00 0.00 H new ATOM 854 N ALA A 54 -1.765 9.742 -7.348 1.00 0.00 N ATOM 855 CA ALA A 54 -2.402 8.444 -7.537 1.00 0.00 C ATOM 856 C ALA A 54 -3.403 8.471 -8.690 1.00 0.00 C ATOM 857 O ALA A 54 -3.925 7.430 -9.091 1.00 0.00 O ATOM 858 CB ALA A 54 -3.088 8.004 -6.253 1.00 0.00 C ATOM 0 H ALA A 54 -2.112 10.269 -6.546 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.623 7.725 -7.791 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.560 7.034 -6.407 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.350 7.926 -5.454 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.846 8.736 -5.976 1.00 0.00 H new ATOM 864 N GLY A 55 -3.672 9.661 -9.221 1.00 0.00 N ATOM 865 CA GLY A 55 -4.612 9.784 -10.319 1.00 0.00 C ATOM 866 C GLY A 55 -5.999 9.302 -9.944 1.00 0.00 C ATOM 867 O GLY A 55 -6.638 8.573 -10.703 1.00 0.00 O ATOM 0 H GLY A 55 -3.256 10.539 -8.911 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.665 10.826 -10.635 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.249 9.211 -11.172 1.00 0.00 H new ATOM 871 N ASN A 56 -6.465 9.711 -8.768 1.00 0.00 N ATOM 872 CA ASN A 56 -7.784 9.321 -8.284 1.00 0.00 C ATOM 873 C ASN A 56 -8.031 9.883 -6.903 1.00 0.00 C ATOM 874 O ASN A 56 -7.370 9.513 -5.934 1.00 0.00 O ATOM 875 CB ASN A 56 -7.939 7.796 -8.268 1.00 0.00 C ATOM 876 CG ASN A 56 -6.660 7.080 -7.878 1.00 0.00 C ATOM 877 OD1 ASN A 56 -6.104 6.309 -8.660 1.00 0.00 O ATOM 878 ND2 ASN A 56 -6.187 7.330 -6.662 1.00 0.00 N ATOM 0 H ASN A 56 -5.946 10.315 -8.131 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.525 9.732 -8.970 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.730 7.523 -7.570 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.254 7.457 -9.255 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.331 6.876 -6.344 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.680 7.976 -6.046 1.00 0.00 H new ATOM 885 N PRO A 57 -8.993 10.805 -6.804 1.00 0.00 N ATOM 886 CA PRO A 57 -9.347 11.449 -5.558 1.00 0.00 C ATOM 887 C PRO A 57 -10.384 10.662 -4.763 1.00 0.00 C ATOM 888 O PRO A 57 -11.122 11.226 -3.955 1.00 0.00 O ATOM 889 CB PRO A 57 -9.921 12.792 -6.020 1.00 0.00 C ATOM 890 CG PRO A 57 -9.997 12.746 -7.514 1.00 0.00 C ATOM 891 CD PRO A 57 -9.815 11.316 -7.903 1.00 0.00 C ATOM 0 HA PRO A 57 -8.496 11.538 -4.883 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -10.908 12.958 -5.589 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -9.287 13.616 -5.691 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -10.957 13.125 -7.866 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.224 13.371 -7.961 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.766 10.790 -7.980 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -9.316 11.215 -8.867 1.00 0.00 H new ATOM 899 N LYS A 58 -10.427 9.357 -4.995 1.00 0.00 N ATOM 900 CA LYS A 58 -11.364 8.483 -4.300 1.00 0.00 C ATOM 901 C LYS A 58 -10.664 7.218 -3.802 1.00 0.00 C ATOM 902 O LYS A 58 -11.313 6.286 -3.329 1.00 0.00 O ATOM 903 CB LYS A 58 -12.524 8.107 -5.224 1.00 0.00 C ATOM 904 CG LYS A 58 -13.443 9.274 -5.551 1.00 0.00 C ATOM 905 CD LYS A 58 -13.515 9.528 -7.049 1.00 0.00 C ATOM 906 CE LYS A 58 -14.085 8.329 -7.790 1.00 0.00 C ATOM 907 NZ LYS A 58 -14.295 8.618 -9.236 1.00 0.00 N ATOM 0 H LYS A 58 -9.822 8.878 -5.662 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.755 9.024 -3.438 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.122 7.701 -6.152 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.108 7.315 -4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.443 9.069 -5.168 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.086 10.172 -5.046 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.134 10.404 -7.241 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.519 9.752 -7.430 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.408 7.481 -7.684 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.033 8.039 -7.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.685 7.776 -9.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.961 9.410 -9.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.387 8.870 -9.675 1.00 0.00 H new ATOM 921 N ALA A 59 -9.336 7.193 -3.913 1.00 0.00 N ATOM 922 CA ALA A 59 -8.554 6.043 -3.475 1.00 0.00 C ATOM 923 C ALA A 59 -8.774 5.760 -1.991 1.00 0.00 C ATOM 924 O ALA A 59 -9.734 6.246 -1.392 1.00 0.00 O ATOM 925 CB ALA A 59 -7.076 6.276 -3.763 1.00 0.00 C ATOM 0 H ALA A 59 -8.782 7.956 -4.302 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.889 5.169 -4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.500 5.412 -3.432 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.932 6.420 -4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.737 7.164 -3.229 1.00 0.00 H new ATOM 931 N THR A 60 -7.880 4.970 -1.403 1.00 0.00 N ATOM 932 CA THR A 60 -7.976 4.622 0.009 1.00 0.00 C ATOM 933 C THR A 60 -6.596 4.622 0.661 1.00 0.00 C ATOM 934 O THR A 60 -5.578 4.535 -0.024 1.00 0.00 O ATOM 935 CB THR A 60 -8.633 3.250 0.172 1.00 0.00 C ATOM 936 OG1 THR A 60 -8.133 2.337 -0.788 1.00 0.00 O ATOM 937 CG2 THR A 60 -10.139 3.287 0.030 1.00 0.00 C ATOM 0 H THR A 60 -7.080 4.559 -1.884 1.00 0.00 H new ATOM 0 HA THR A 60 -8.592 5.372 0.505 1.00 0.00 H new ATOM 0 HB THR A 60 -8.388 2.931 1.185 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.564 1.465 -0.666 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.541 2.282 0.157 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.560 3.945 0.790 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.402 3.661 -0.959 1.00 0.00 H new ATOM 945 N PRO A 61 -6.545 4.722 2.002 1.00 0.00 N ATOM 946 CA PRO A 61 -5.290 4.737 2.754 1.00 0.00 C ATOM 947 C PRO A 61 -4.272 3.719 2.234 1.00 0.00 C ATOM 948 O PRO A 61 -3.155 4.086 1.869 1.00 0.00 O ATOM 949 CB PRO A 61 -5.717 4.391 4.193 1.00 0.00 C ATOM 950 CG PRO A 61 -7.203 4.196 4.159 1.00 0.00 C ATOM 951 CD PRO A 61 -7.700 4.835 2.894 1.00 0.00 C ATOM 0 HA PRO A 61 -4.787 5.700 2.668 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.215 3.488 4.540 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.446 5.191 4.881 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.453 3.135 4.180 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.672 4.651 5.031 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.572 4.318 2.495 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.990 5.874 3.052 1.00 0.00 H new ATOM 959 N PRO A 62 -4.636 2.424 2.195 1.00 0.00 N ATOM 960 CA PRO A 62 -3.735 1.367 1.719 1.00 0.00 C ATOM 961 C PRO A 62 -3.429 1.484 0.228 1.00 0.00 C ATOM 962 O PRO A 62 -4.224 1.065 -0.614 1.00 0.00 O ATOM 963 CB PRO A 62 -4.509 0.077 2.006 1.00 0.00 C ATOM 964 CG PRO A 62 -5.938 0.491 2.052 1.00 0.00 C ATOM 965 CD PRO A 62 -5.944 1.885 2.613 1.00 0.00 C ATOM 0 HA PRO A 62 -2.763 1.415 2.211 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.338 -0.668 1.229 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.196 -0.370 2.950 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.384 0.468 1.058 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.521 -0.185 2.678 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.769 2.476 2.214 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.050 1.882 3.698 1.00 0.00 H new ATOM 973 N GLN A 63 -2.268 2.050 -0.089 1.00 0.00 N ATOM 974 CA GLN A 63 -1.849 2.218 -1.477 1.00 0.00 C ATOM 975 C GLN A 63 -0.339 2.040 -1.608 1.00 0.00 C ATOM 976 O GLN A 63 0.437 2.839 -1.084 1.00 0.00 O ATOM 977 CB GLN A 63 -2.260 3.597 -1.999 1.00 0.00 C ATOM 978 CG GLN A 63 -3.764 3.792 -2.086 1.00 0.00 C ATOM 979 CD GLN A 63 -4.344 3.271 -3.386 1.00 0.00 C ATOM 980 OE1 GLN A 63 -3.651 3.189 -4.400 1.00 0.00 O ATOM 981 NE2 GLN A 63 -5.624 2.915 -3.363 1.00 0.00 N ATOM 0 H GLN A 63 -1.600 2.400 0.597 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.345 1.454 -2.076 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.840 4.363 -1.347 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.825 3.746 -2.987 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.242 3.283 -1.249 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.996 4.853 -1.988 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.161 3.000 -2.500 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.069 2.557 -4.208 1.00 0.00 H new ATOM 990 N ILE A 64 0.070 0.984 -2.303 1.00 0.00 N ATOM 991 CA ILE A 64 1.487 0.697 -2.496 1.00 0.00 C ATOM 992 C ILE A 64 2.075 1.526 -3.633 1.00 0.00 C ATOM 993 O ILE A 64 1.445 1.708 -4.676 1.00 0.00 O ATOM 994 CB ILE A 64 1.723 -0.796 -2.791 1.00 0.00 C ATOM 995 CG1 ILE A 64 0.979 -1.664 -1.775 1.00 0.00 C ATOM 996 CG2 ILE A 64 3.212 -1.110 -2.776 1.00 0.00 C ATOM 997 CD1 ILE A 64 -0.371 -2.143 -2.262 1.00 0.00 C ATOM 0 H ILE A 64 -0.560 0.312 -2.742 1.00 0.00 H new ATOM 0 HA ILE A 64 1.988 0.962 -1.565 1.00 0.00 H new ATOM 0 HB ILE A 64 1.334 -1.020 -3.784 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.595 -2.529 -1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.843 -1.096 -0.855 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.363 -2.169 -2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.717 -0.514 -3.536 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.624 -0.873 -1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.841 -2.752 -1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.005 -1.284 -2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.241 -2.739 -3.166 1.00 0.00 H new ATOM 1009 N VAL A 65 3.290 2.022 -3.425 1.00 0.00 N ATOM 1010 CA VAL A 65 3.975 2.827 -4.428 1.00 0.00 C ATOM 1011 C VAL A 65 5.424 2.376 -4.582 1.00 0.00 C ATOM 1012 O VAL A 65 6.092 2.049 -3.601 1.00 0.00 O ATOM 1013 CB VAL A 65 3.935 4.327 -4.063 1.00 0.00 C ATOM 1014 CG1 VAL A 65 4.760 5.160 -5.037 1.00 0.00 C ATOM 1015 CG2 VAL A 65 2.497 4.822 -4.018 1.00 0.00 C ATOM 0 H VAL A 65 3.822 1.879 -2.567 1.00 0.00 H new ATOM 0 HA VAL A 65 3.453 2.685 -5.375 1.00 0.00 H new ATOM 0 HB VAL A 65 4.377 4.443 -3.074 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.710 6.210 -4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.797 4.827 -5.013 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.364 5.040 -6.045 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.485 5.881 -3.759 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.033 4.681 -4.994 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.942 4.259 -3.268 1.00 0.00 H new ATOM 1025 N ASN A 66 5.900 2.361 -5.820 1.00 0.00 N ATOM 1026 CA ASN A 66 7.269 1.949 -6.109 1.00 0.00 C ATOM 1027 C ASN A 66 8.146 3.157 -6.420 1.00 0.00 C ATOM 1028 O ASN A 66 8.349 3.508 -7.582 1.00 0.00 O ATOM 1029 CB ASN A 66 7.291 0.972 -7.286 1.00 0.00 C ATOM 1030 CG ASN A 66 8.332 -0.117 -7.114 1.00 0.00 C ATOM 1031 OD1 ASN A 66 9.195 -0.308 -7.971 1.00 0.00 O ATOM 1032 ND2 ASN A 66 8.255 -0.838 -6.002 1.00 0.00 N ATOM 0 H ASN A 66 5.358 2.630 -6.642 1.00 0.00 H new ATOM 0 HA ASN A 66 7.667 1.452 -5.225 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.307 0.516 -7.395 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.492 1.521 -8.206 1.00 0.00 H new ATOM 0 HD21 ASN A 66 8.928 -1.585 -5.831 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.523 -0.645 -5.319 1.00 0.00 H new ATOM 1039 N GLY A 67 8.662 3.790 -5.372 1.00 0.00 N ATOM 1040 CA GLY A 67 9.511 4.953 -5.553 1.00 0.00 C ATOM 1041 C GLY A 67 8.715 6.233 -5.702 1.00 0.00 C ATOM 1042 O GLY A 67 8.486 6.947 -4.725 1.00 0.00 O ATOM 0 H GLY A 67 8.508 3.519 -4.401 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.184 5.044 -4.700 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.133 4.811 -6.436 1.00 0.00 H new ATOM 1046 N ASP A 68 8.293 6.526 -6.926 1.00 0.00 N ATOM 1047 CA ASP A 68 7.519 7.730 -7.199 1.00 0.00 C ATOM 1048 C ASP A 68 6.496 7.479 -8.302 1.00 0.00 C ATOM 1049 O ASP A 68 6.275 8.332 -9.162 1.00 0.00 O ATOM 1050 CB ASP A 68 8.447 8.879 -7.596 1.00 0.00 C ATOM 1051 CG ASP A 68 7.965 10.218 -7.074 1.00 0.00 C ATOM 1052 OD1 ASP A 68 7.547 10.281 -5.898 1.00 0.00 O ATOM 1053 OD2 ASP A 68 8.005 11.204 -7.840 1.00 0.00 O ATOM 0 H ASP A 68 8.474 5.946 -7.745 1.00 0.00 H new ATOM 0 HA ASP A 68 6.985 8.004 -6.289 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.449 8.682 -7.213 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.523 8.922 -8.682 1.00 0.00 H new ATOM 1058 N GLN A 69 5.874 6.305 -8.271 1.00 0.00 N ATOM 1059 CA GLN A 69 4.875 5.947 -9.268 1.00 0.00 C ATOM 1060 C GLN A 69 3.724 5.182 -8.627 1.00 0.00 C ATOM 1061 O GLN A 69 3.855 4.649 -7.526 1.00 0.00 O ATOM 1062 CB GLN A 69 5.509 5.107 -10.379 1.00 0.00 C ATOM 1063 CG GLN A 69 5.622 5.839 -11.706 1.00 0.00 C ATOM 1064 CD GLN A 69 5.461 4.915 -12.897 1.00 0.00 C ATOM 1065 OE1 GLN A 69 6.301 4.889 -13.796 1.00 0.00 O ATOM 1066 NE2 GLN A 69 4.375 4.150 -12.909 1.00 0.00 N ATOM 0 H GLN A 69 6.045 5.587 -7.567 1.00 0.00 H new ATOM 0 HA GLN A 69 4.481 6.866 -9.701 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.503 4.791 -10.062 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.918 4.203 -10.522 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.863 6.620 -11.752 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.592 6.333 -11.763 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.705 4.204 -12.142 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.212 3.508 -13.685 1.00 0.00 H new ATOM 1075 N TYR A 70 2.598 5.129 -9.324 1.00 0.00 N ATOM 1076 CA TYR A 70 1.426 4.427 -8.820 1.00 0.00 C ATOM 1077 C TYR A 70 1.560 2.926 -9.043 1.00 0.00 C ATOM 1078 O TYR A 70 1.350 2.431 -10.150 1.00 0.00 O ATOM 1079 CB TYR A 70 0.162 4.948 -9.505 1.00 0.00 C ATOM 1080 CG TYR A 70 -1.103 4.719 -8.707 1.00 0.00 C ATOM 1081 CD1 TYR A 70 -1.135 4.945 -7.337 1.00 0.00 C ATOM 1082 CD2 TYR A 70 -2.265 4.278 -9.327 1.00 0.00 C ATOM 1083 CE1 TYR A 70 -2.290 4.738 -6.607 1.00 0.00 C ATOM 1084 CE2 TYR A 70 -3.424 4.068 -8.604 1.00 0.00 C ATOM 1085 CZ TYR A 70 -3.431 4.300 -7.245 1.00 0.00 C ATOM 1086 OH TYR A 70 -4.583 4.093 -6.521 1.00 0.00 O ATOM 0 H TYR A 70 2.471 5.563 -10.238 1.00 0.00 H new ATOM 0 HA TYR A 70 1.351 4.612 -7.748 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.275 6.016 -9.691 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.060 4.464 -10.476 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.243 5.288 -6.834 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -2.263 4.096 -10.392 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.299 4.918 -5.542 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.319 3.724 -9.101 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.375 3.570 -5.718 1.00 0.00 H new ATOM 1096 N CYS A 71 1.916 2.207 -7.984 1.00 0.00 N ATOM 1097 CA CYS A 71 2.083 0.761 -8.066 1.00 0.00 C ATOM 1098 C CYS A 71 0.732 0.054 -8.014 1.00 0.00 C ATOM 1099 O CYS A 71 0.417 -0.762 -8.880 1.00 0.00 O ATOM 1100 CB CYS A 71 2.976 0.264 -6.928 1.00 0.00 C ATOM 1101 SG CYS A 71 3.905 -1.237 -7.321 1.00 0.00 S ATOM 0 H CYS A 71 2.094 2.601 -7.060 1.00 0.00 H new ATOM 0 HA CYS A 71 2.558 0.529 -9.019 1.00 0.00 H new ATOM 0 HB2 CYS A 71 3.678 1.053 -6.660 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.357 0.076 -6.050 1.00 0.00 H new ATOM 0 HG CYS A 71 3.259 -2.275 -6.879 1.00 0.00 H new ATOM 1107 N GLY A 72 -0.065 0.374 -6.999 1.00 0.00 N ATOM 1108 CA GLY A 72 -1.372 -0.243 -6.867 1.00 0.00 C ATOM 1109 C GLY A 72 -2.004 0.004 -5.512 1.00 0.00 C ATOM 1110 O GLY A 72 -1.862 1.085 -4.940 1.00 0.00 O ATOM 0 H GLY A 72 0.170 1.046 -6.269 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.031 0.142 -7.646 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.280 -1.317 -7.029 1.00 0.00 H new ATOM 1114 N ASP A 73 -2.706 -1.002 -5.001 1.00 0.00 N ATOM 1115 CA ASP A 73 -3.368 -0.895 -3.707 1.00 0.00 C ATOM 1116 C ASP A 73 -3.672 -2.279 -3.137 1.00 0.00 C ATOM 1117 O ASP A 73 -3.128 -3.283 -3.599 1.00 0.00 O ATOM 1118 CB ASP A 73 -4.658 -0.078 -3.842 1.00 0.00 C ATOM 1119 CG ASP A 73 -5.699 -0.771 -4.701 1.00 0.00 C ATOM 1120 OD1 ASP A 73 -6.231 -1.812 -4.264 1.00 0.00 O ATOM 1121 OD2 ASP A 73 -5.983 -0.270 -5.809 1.00 0.00 O ATOM 0 H ASP A 73 -2.831 -1.902 -5.465 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.697 -0.384 -3.017 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.073 0.105 -2.851 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.424 0.895 -4.275 1.00 0.00 H new ATOM 1126 N TYR A 74 -4.539 -2.326 -2.130 1.00 0.00 N ATOM 1127 CA TYR A 74 -4.913 -3.585 -1.493 1.00 0.00 C ATOM 1128 C TYR A 74 -5.399 -4.606 -2.523 1.00 0.00 C ATOM 1129 O TYR A 74 -4.895 -5.726 -2.584 1.00 0.00 O ATOM 1130 CB TYR A 74 -6.003 -3.339 -0.444 1.00 0.00 C ATOM 1131 CG TYR A 74 -6.617 -4.605 0.116 1.00 0.00 C ATOM 1132 CD1 TYR A 74 -7.587 -5.301 -0.595 1.00 0.00 C ATOM 1133 CD2 TYR A 74 -6.227 -5.102 1.353 1.00 0.00 C ATOM 1134 CE1 TYR A 74 -8.151 -6.456 -0.088 1.00 0.00 C ATOM 1135 CE2 TYR A 74 -6.786 -6.257 1.865 1.00 0.00 C ATOM 1136 CZ TYR A 74 -7.747 -6.930 1.141 1.00 0.00 C ATOM 1137 OH TYR A 74 -8.306 -8.081 1.649 1.00 0.00 O ATOM 0 H TYR A 74 -4.997 -1.504 -1.736 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.027 -3.992 -1.005 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.579 -2.760 0.376 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.791 -2.732 -0.889 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.905 -4.933 -1.559 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.475 -4.577 1.924 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.905 -6.985 -0.652 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.472 -6.631 2.828 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.911 -8.278 2.524 1.00 0.00 H new ATOM 1147 N GLU A 75 -6.385 -4.213 -3.323 1.00 0.00 N ATOM 1148 CA GLU A 75 -6.947 -5.087 -4.340 1.00 0.00 C ATOM 1149 C GLU A 75 -5.861 -5.702 -5.219 1.00 0.00 C ATOM 1150 O GLU A 75 -5.733 -6.923 -5.297 1.00 0.00 O ATOM 1151 CB GLU A 75 -7.935 -4.301 -5.195 1.00 0.00 C ATOM 1152 CG GLU A 75 -9.195 -5.077 -5.523 1.00 0.00 C ATOM 1153 CD GLU A 75 -9.334 -5.373 -7.004 1.00 0.00 C ATOM 1154 OE1 GLU A 75 -8.548 -6.195 -7.521 1.00 0.00 O ATOM 1155 OE2 GLU A 75 -10.228 -4.784 -7.646 1.00 0.00 O ATOM 0 H GLU A 75 -6.812 -3.288 -3.284 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.463 -5.906 -3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.207 -3.384 -4.673 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.446 -4.006 -6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.193 -6.015 -4.968 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.063 -4.510 -5.187 1.00 0.00 H new ATOM 1162 N LEU A 76 -5.085 -4.852 -5.883 1.00 0.00 N ATOM 1163 CA LEU A 76 -4.013 -5.318 -6.759 1.00 0.00 C ATOM 1164 C LEU A 76 -3.057 -6.243 -6.011 1.00 0.00 C ATOM 1165 O LEU A 76 -2.922 -7.420 -6.348 1.00 0.00 O ATOM 1166 CB LEU A 76 -3.242 -4.129 -7.334 1.00 0.00 C ATOM 1167 CG LEU A 76 -4.065 -3.187 -8.216 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -4.590 -2.013 -7.401 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -3.232 -2.695 -9.390 1.00 0.00 C ATOM 0 H LEU A 76 -5.177 -3.837 -5.832 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.467 -5.879 -7.576 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.822 -3.554 -6.508 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.403 -4.508 -7.918 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.919 -3.739 -8.608 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.173 -1.354 -8.045 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.222 -2.384 -6.594 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.751 -1.459 -6.979 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.832 -2.026 -10.007 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.359 -2.159 -9.017 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.907 -3.547 -9.988 1.00 0.00 H new ATOM 1181 N PHE A 77 -2.399 -5.700 -4.991 1.00 0.00 N ATOM 1182 CA PHE A 77 -1.455 -6.470 -4.187 1.00 0.00 C ATOM 1183 C PHE A 77 -2.055 -7.817 -3.782 1.00 0.00 C ATOM 1184 O PHE A 77 -1.472 -8.872 -4.042 1.00 0.00 O ATOM 1185 CB PHE A 77 -1.057 -5.668 -2.943 1.00 0.00 C ATOM 1186 CG PHE A 77 -0.239 -6.445 -1.948 1.00 0.00 C ATOM 1187 CD1 PHE A 77 -0.845 -7.348 -1.089 1.00 0.00 C ATOM 1188 CD2 PHE A 77 1.133 -6.271 -1.871 1.00 0.00 C ATOM 1189 CE1 PHE A 77 -0.097 -8.063 -0.173 1.00 0.00 C ATOM 1190 CE2 PHE A 77 1.886 -6.983 -0.957 1.00 0.00 C ATOM 1191 CZ PHE A 77 1.270 -7.880 -0.107 1.00 0.00 C ATOM 0 H PHE A 77 -2.502 -4.728 -4.701 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.566 -6.664 -4.787 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.492 -4.790 -3.255 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.961 -5.307 -2.452 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.914 -7.495 -1.136 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.620 -5.571 -2.533 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.581 -8.764 0.491 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.955 -6.838 -0.908 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.856 -8.438 0.608 1.00 0.00 H new ATOM 1201 N VAL A 78 -3.225 -7.773 -3.151 1.00 0.00 N ATOM 1202 CA VAL A 78 -3.906 -8.987 -2.718 1.00 0.00 C ATOM 1203 C VAL A 78 -4.305 -9.843 -3.916 1.00 0.00 C ATOM 1204 O VAL A 78 -4.356 -11.069 -3.828 1.00 0.00 O ATOM 1205 CB VAL A 78 -5.163 -8.663 -1.885 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -5.805 -9.939 -1.358 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -4.815 -7.722 -0.741 1.00 0.00 C ATOM 0 H VAL A 78 -3.720 -6.910 -2.929 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.205 -9.541 -2.094 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.885 -8.164 -2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.690 -9.687 -0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.093 -10.574 -2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.093 -10.471 -0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.713 -7.504 -0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.074 -8.193 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.408 -6.794 -1.144 1.00 0.00 H new ATOM 1217 N GLU A 79 -4.583 -9.186 -5.039 1.00 0.00 N ATOM 1218 CA GLU A 79 -4.973 -9.886 -6.258 1.00 0.00 C ATOM 1219 C GLU A 79 -3.758 -10.494 -6.959 1.00 0.00 C ATOM 1220 O GLU A 79 -3.896 -11.177 -7.974 1.00 0.00 O ATOM 1221 CB GLU A 79 -5.699 -8.934 -7.210 1.00 0.00 C ATOM 1222 CG GLU A 79 -6.134 -9.593 -8.510 1.00 0.00 C ATOM 1223 CD GLU A 79 -7.581 -9.301 -8.859 1.00 0.00 C ATOM 1224 OE1 GLU A 79 -8.469 -9.666 -8.060 1.00 0.00 O ATOM 1225 OE2 GLU A 79 -7.825 -8.706 -9.930 1.00 0.00 O ATOM 0 H GLU A 79 -4.545 -8.171 -5.129 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.647 -10.695 -5.976 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.576 -8.528 -6.706 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.045 -8.093 -7.439 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.492 -9.247 -9.320 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.994 -10.671 -8.431 1.00 0.00 H new ATOM 1232 N ALA A 80 -2.569 -10.242 -6.419 1.00 0.00 N ATOM 1233 CA ALA A 80 -1.343 -10.768 -7.000 1.00 0.00 C ATOM 1234 C ALA A 80 -0.907 -12.049 -6.295 1.00 0.00 C ATOM 1235 O ALA A 80 -0.685 -13.076 -6.936 1.00 0.00 O ATOM 1236 CB ALA A 80 -0.243 -9.721 -6.937 1.00 0.00 C ATOM 0 H ALA A 80 -2.431 -9.677 -5.581 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.536 -11.012 -8.045 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.670 -10.125 -7.374 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.551 -8.836 -7.494 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.058 -9.450 -5.898 1.00 0.00 H new ATOM 1242 N VAL A 81 -0.794 -11.988 -4.969 1.00 0.00 N ATOM 1243 CA VAL A 81 -0.391 -13.152 -4.181 1.00 0.00 C ATOM 1244 C VAL A 81 -1.279 -14.352 -4.490 1.00 0.00 C ATOM 1245 O VAL A 81 -0.842 -15.501 -4.424 1.00 0.00 O ATOM 1246 CB VAL A 81 -0.459 -12.862 -2.669 1.00 0.00 C ATOM 1247 CG1 VAL A 81 0.142 -14.012 -1.876 1.00 0.00 C ATOM 1248 CG2 VAL A 81 0.243 -11.552 -2.339 1.00 0.00 C ATOM 0 H VAL A 81 -0.975 -11.148 -4.419 1.00 0.00 H new ATOM 0 HA VAL A 81 0.640 -13.377 -4.455 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.507 -12.764 -2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.085 -13.788 -0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.412 -14.927 -2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.185 -14.146 -2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.183 -11.367 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.289 -11.614 -2.638 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.240 -10.735 -2.876 1.00 0.00 H new ATOM 1258 N GLU A 82 -2.532 -14.069 -4.822 1.00 0.00 N ATOM 1259 CA GLU A 82 -3.507 -15.106 -5.142 1.00 0.00 C ATOM 1260 C GLU A 82 -3.009 -16.021 -6.259 1.00 0.00 C ATOM 1261 O GLU A 82 -3.075 -17.245 -6.147 1.00 0.00 O ATOM 1262 CB GLU A 82 -4.823 -14.459 -5.564 1.00 0.00 C ATOM 1263 CG GLU A 82 -4.646 -13.384 -6.624 1.00 0.00 C ATOM 1264 CD GLU A 82 -5.035 -13.863 -8.009 1.00 0.00 C ATOM 1265 OE1 GLU A 82 -5.068 -15.093 -8.224 1.00 0.00 O ATOM 1266 OE2 GLU A 82 -5.307 -13.009 -8.879 1.00 0.00 O ATOM 0 H GLU A 82 -2.901 -13.120 -4.877 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.656 -15.713 -4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.494 -15.229 -5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.303 -14.022 -4.689 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.250 -12.516 -6.361 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.606 -13.057 -6.635 1.00 0.00 H new ATOM 1273 N GLN A 83 -2.518 -15.419 -7.336 1.00 0.00 N ATOM 1274 CA GLN A 83 -2.015 -16.176 -8.476 1.00 0.00 C ATOM 1275 C GLN A 83 -0.494 -16.262 -8.445 1.00 0.00 C ATOM 1276 O GLN A 83 0.132 -16.728 -9.397 1.00 0.00 O ATOM 1277 CB GLN A 83 -2.473 -15.525 -9.783 1.00 0.00 C ATOM 1278 CG GLN A 83 -2.933 -16.523 -10.834 1.00 0.00 C ATOM 1279 CD GLN A 83 -3.689 -15.866 -11.971 1.00 0.00 C ATOM 1280 OE1 GLN A 83 -3.320 -14.787 -12.437 1.00 0.00 O ATOM 1281 NE2 GLN A 83 -4.755 -16.514 -12.426 1.00 0.00 N ATOM 0 H GLN A 83 -2.457 -14.407 -7.444 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.418 -17.187 -8.417 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.289 -14.835 -9.568 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.653 -14.933 -10.191 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.066 -17.048 -11.235 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -3.570 -17.272 -10.364 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.025 -17.406 -12.011 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -5.303 -16.120 -13.191 1.00 0.00 H new ATOM 1290 N ASN A 84 0.096 -15.795 -7.349 1.00 0.00 N ATOM 1291 CA ASN A 84 1.540 -15.799 -7.189 1.00 0.00 C ATOM 1292 C ASN A 84 2.166 -14.689 -8.023 1.00 0.00 C ATOM 1293 O ASN A 84 3.352 -14.732 -8.349 1.00 0.00 O ATOM 1294 CB ASN A 84 2.132 -17.157 -7.580 1.00 0.00 C ATOM 1295 CG ASN A 84 3.108 -17.683 -6.545 1.00 0.00 C ATOM 1296 OD1 ASN A 84 4.310 -17.431 -6.624 1.00 0.00 O ATOM 1297 ND2 ASN A 84 2.593 -18.418 -5.566 1.00 0.00 N ATOM 0 H ASN A 84 -0.412 -15.407 -6.554 1.00 0.00 H new ATOM 0 HA ASN A 84 1.766 -15.621 -6.138 1.00 0.00 H new ATOM 0 HB2 ASN A 84 1.325 -17.877 -7.713 1.00 0.00 H new ATOM 0 HB3 ASN A 84 2.639 -17.066 -8.540 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.200 -18.799 -4.840 1.00 0.00 H new ATOM 0 HD22 ASN A 84 1.590 -18.602 -5.540 1.00 0.00 H new ATOM 1304 N THR A 85 1.354 -13.691 -8.360 1.00 0.00 N ATOM 1305 CA THR A 85 1.818 -12.563 -9.149 1.00 0.00 C ATOM 1306 C THR A 85 2.460 -11.504 -8.257 1.00 0.00 C ATOM 1307 O THR A 85 3.192 -10.641 -8.740 1.00 0.00 O ATOM 1308 CB THR A 85 0.659 -11.952 -9.942 1.00 0.00 C ATOM 1309 OG1 THR A 85 -0.585 -12.436 -9.469 1.00 0.00 O ATOM 1310 CG2 THR A 85 0.730 -12.243 -11.426 1.00 0.00 C ATOM 0 H THR A 85 0.370 -13.644 -8.096 1.00 0.00 H new ATOM 0 HA THR A 85 2.571 -12.926 -9.849 1.00 0.00 H new ATOM 0 HB THR A 85 0.745 -10.876 -9.794 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.312 -12.032 -9.988 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.120 -11.782 -11.928 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.656 -11.836 -11.833 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.705 -13.321 -11.587 1.00 0.00 H new ATOM 1318 N LEU A 86 2.172 -11.576 -6.953 1.00 0.00 N ATOM 1319 CA LEU A 86 2.711 -10.629 -5.974 1.00 0.00 C ATOM 1320 C LEU A 86 4.094 -10.109 -6.369 1.00 0.00 C ATOM 1321 O LEU A 86 4.347 -8.905 -6.320 1.00 0.00 O ATOM 1322 CB LEU A 86 2.780 -11.289 -4.597 1.00 0.00 C ATOM 1323 CG LEU A 86 2.973 -10.330 -3.421 1.00 0.00 C ATOM 1324 CD1 LEU A 86 4.415 -9.854 -3.352 1.00 0.00 C ATOM 1325 CD2 LEU A 86 2.023 -9.146 -3.528 1.00 0.00 C ATOM 0 H LEU A 86 1.563 -12.288 -6.550 1.00 0.00 H new ATOM 0 HA LEU A 86 2.037 -9.773 -5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.862 -11.854 -4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.600 -12.007 -4.597 1.00 0.00 H new ATOM 0 HG LEU A 86 2.743 -10.868 -2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.533 -9.173 -2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.075 -10.711 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.672 -9.336 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.178 -8.477 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.216 -8.607 -4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.993 -9.504 -3.524 1.00 0.00 H new ATOM 1337 N GLN A 87 4.985 -11.015 -6.763 1.00 0.00 N ATOM 1338 CA GLN A 87 6.332 -10.623 -7.166 1.00 0.00 C ATOM 1339 C GLN A 87 6.277 -9.629 -8.319 1.00 0.00 C ATOM 1340 O GLN A 87 6.830 -8.535 -8.235 1.00 0.00 O ATOM 1341 CB GLN A 87 7.157 -11.845 -7.578 1.00 0.00 C ATOM 1342 CG GLN A 87 8.463 -11.483 -8.271 1.00 0.00 C ATOM 1343 CD GLN A 87 9.395 -12.670 -8.421 1.00 0.00 C ATOM 1344 OE1 GLN A 87 9.063 -13.655 -9.081 1.00 0.00 O ATOM 1345 NE2 GLN A 87 10.570 -12.582 -7.808 1.00 0.00 N ATOM 0 H GLN A 87 4.801 -12.017 -6.812 1.00 0.00 H new ATOM 0 HA GLN A 87 6.812 -10.150 -6.309 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.377 -12.442 -6.693 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.561 -12.469 -8.244 1.00 0.00 H new ATOM 0 HG2 GLN A 87 8.245 -11.071 -9.256 1.00 0.00 H new ATOM 0 HG3 GLN A 87 8.966 -10.701 -7.703 1.00 0.00 H new ATOM 0 HE21 GLN A 87 10.804 -11.747 -7.271 1.00 0.00 H new ATOM 0 HE22 GLN A 87 11.238 -13.350 -7.874 1.00 0.00 H new ATOM 1354 N GLU A 88 5.597 -10.019 -9.396 1.00 0.00 N ATOM 1355 CA GLU A 88 5.458 -9.166 -10.573 1.00 0.00 C ATOM 1356 C GLU A 88 5.080 -7.738 -10.183 1.00 0.00 C ATOM 1357 O GLU A 88 5.315 -6.797 -10.940 1.00 0.00 O ATOM 1358 CB GLU A 88 4.404 -9.741 -11.521 1.00 0.00 C ATOM 1359 CG GLU A 88 4.960 -10.757 -12.504 1.00 0.00 C ATOM 1360 CD GLU A 88 5.616 -10.107 -13.706 1.00 0.00 C ATOM 1361 OE1 GLU A 88 5.002 -9.193 -14.296 1.00 0.00 O ATOM 1362 OE2 GLU A 88 6.744 -10.511 -14.058 1.00 0.00 O ATOM 0 H GLU A 88 5.133 -10.924 -9.477 1.00 0.00 H new ATOM 0 HA GLU A 88 6.423 -9.137 -11.079 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.616 -10.211 -10.933 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.943 -8.924 -12.077 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.688 -11.389 -11.995 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.154 -11.408 -12.842 1.00 0.00 H new ATOM 1369 N PHE A 89 4.489 -7.585 -9.002 1.00 0.00 N ATOM 1370 CA PHE A 89 4.077 -6.278 -8.514 1.00 0.00 C ATOM 1371 C PHE A 89 5.088 -5.718 -7.513 1.00 0.00 C ATOM 1372 O PHE A 89 5.198 -4.503 -7.345 1.00 0.00 O ATOM 1373 CB PHE A 89 2.692 -6.384 -7.865 1.00 0.00 C ATOM 1374 CG PHE A 89 2.217 -5.116 -7.215 1.00 0.00 C ATOM 1375 CD1 PHE A 89 2.754 -4.694 -6.009 1.00 0.00 C ATOM 1376 CD2 PHE A 89 1.227 -4.350 -7.808 1.00 0.00 C ATOM 1377 CE1 PHE A 89 2.314 -3.530 -5.409 1.00 0.00 C ATOM 1378 CE2 PHE A 89 0.782 -3.187 -7.212 1.00 0.00 C ATOM 1379 CZ PHE A 89 1.326 -2.775 -6.011 1.00 0.00 C ATOM 0 H PHE A 89 4.285 -8.355 -8.365 1.00 0.00 H new ATOM 0 HA PHE A 89 4.030 -5.593 -9.360 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.969 -6.682 -8.624 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.714 -7.176 -7.117 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.525 -5.282 -5.533 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.798 -4.666 -8.747 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.742 -3.211 -4.470 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.009 -2.599 -7.685 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.980 -1.865 -5.544 1.00 0.00 H new ATOM 1389 N LEU A 90 5.817 -6.607 -6.844 1.00 0.00 N ATOM 1390 CA LEU A 90 6.807 -6.193 -5.853 1.00 0.00 C ATOM 1391 C LEU A 90 8.224 -6.222 -6.421 1.00 0.00 C ATOM 1392 O LEU A 90 8.887 -5.189 -6.504 1.00 0.00 O ATOM 1393 CB LEU A 90 6.720 -7.091 -4.620 1.00 0.00 C ATOM 1394 CG LEU A 90 6.490 -6.352 -3.299 1.00 0.00 C ATOM 1395 CD1 LEU A 90 5.441 -7.066 -2.460 1.00 0.00 C ATOM 1396 CD2 LEU A 90 7.795 -6.223 -2.526 1.00 0.00 C ATOM 0 H LEU A 90 5.742 -7.616 -6.969 1.00 0.00 H new ATOM 0 HA LEU A 90 6.584 -5.164 -5.572 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.910 -7.806 -4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.642 -7.666 -4.542 1.00 0.00 H new ATOM 0 HG LEU A 90 6.123 -5.351 -3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.292 -6.525 -1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.501 -7.106 -3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.777 -8.080 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.613 -5.695 -1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.191 -7.216 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.517 -5.665 -3.122 1.00 0.00 H new ATOM 1408 N LYS A 91 8.687 -7.411 -6.797 1.00 0.00 N ATOM 1409 CA LYS A 91 10.034 -7.569 -7.344 1.00 0.00 C ATOM 1410 C LYS A 91 10.025 -7.506 -8.871 1.00 0.00 C ATOM 1411 O LYS A 91 11.076 -7.374 -9.496 1.00 0.00 O ATOM 1412 CB LYS A 91 10.658 -8.891 -6.884 1.00 0.00 C ATOM 1413 CG LYS A 91 10.061 -9.444 -5.598 1.00 0.00 C ATOM 1414 CD LYS A 91 11.047 -10.337 -4.864 1.00 0.00 C ATOM 1415 CE LYS A 91 10.381 -11.079 -3.717 1.00 0.00 C ATOM 1416 NZ LYS A 91 9.217 -11.884 -4.178 1.00 0.00 N ATOM 0 H LYS A 91 8.152 -8.277 -6.734 1.00 0.00 H new ATOM 0 HA LYS A 91 10.636 -6.742 -6.967 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.539 -9.631 -7.675 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.729 -8.745 -6.742 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.763 -8.620 -4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.158 -10.010 -5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.478 -11.055 -5.562 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.869 -9.734 -4.479 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.108 -11.734 -3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.052 -10.363 -2.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.226 -12.810 -3.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.335 -11.384 -3.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.275 -12.021 -5.207 1.00 0.00 H new ATOM 1430 N LEU A 92 8.835 -7.587 -9.464 1.00 0.00 N ATOM 1431 CA LEU A 92 8.689 -7.529 -10.915 1.00 0.00 C ATOM 1432 C LEU A 92 9.409 -8.689 -11.596 1.00 0.00 C ATOM 1433 O LEU A 92 8.775 -9.624 -12.084 1.00 0.00 O ATOM 1434 CB LEU A 92 9.207 -6.189 -11.448 1.00 0.00 C ATOM 1435 CG LEU A 92 8.742 -4.947 -10.675 1.00 0.00 C ATOM 1436 CD1 LEU A 92 7.300 -5.098 -10.206 1.00 0.00 C ATOM 1437 CD2 LEU A 92 9.658 -4.682 -9.493 1.00 0.00 C ATOM 0 H LEU A 92 7.956 -7.693 -8.958 1.00 0.00 H new ATOM 0 HA LEU A 92 7.628 -7.616 -11.148 1.00 0.00 H new ATOM 0 HB2 LEU A 92 10.297 -6.212 -11.442 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.896 -6.086 -12.488 1.00 0.00 H new ATOM 0 HG LEU A 92 8.789 -4.094 -11.352 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.999 -4.203 -9.662 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.649 -5.234 -11.070 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.219 -5.965 -9.551 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.313 -3.798 -8.957 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.645 -5.541 -8.823 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.674 -4.516 -9.850 1.00 0.00 H new ATOM 1449 N ALA A 93 10.733 -8.624 -11.626 1.00 0.00 N ATOM 1450 CA ALA A 93 11.537 -9.668 -12.248 1.00 0.00 C ATOM 1451 C ALA A 93 12.985 -9.600 -11.777 1.00 0.00 C ATOM 1452 O ALA A 93 13.907 -9.929 -12.524 1.00 0.00 O ATOM 1453 CB ALA A 93 11.466 -9.555 -13.763 1.00 0.00 C ATOM 0 H ALA A 93 11.274 -7.858 -11.226 1.00 0.00 H new ATOM 0 HA ALA A 93 11.131 -10.634 -11.947 1.00 0.00 H new ATOM 0 HB1 ALA A 93 12.071 -10.341 -14.215 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.431 -9.662 -14.088 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.845 -8.581 -14.073 1.00 0.00 H new ATOM 1459 N LEU A 94 13.179 -9.173 -10.534 1.00 0.00 N ATOM 1460 CA LEU A 94 14.517 -9.062 -9.964 1.00 0.00 C ATOM 1461 C LEU A 94 15.213 -10.419 -9.945 1.00 0.00 C ATOM 1462 O LEU A 94 16.433 -10.505 -10.083 1.00 0.00 O ATOM 1463 CB LEU A 94 14.446 -8.492 -8.546 1.00 0.00 C ATOM 1464 CG LEU A 94 15.605 -7.573 -8.160 1.00 0.00 C ATOM 1465 CD1 LEU A 94 15.645 -6.354 -9.068 1.00 0.00 C ATOM 1466 CD2 LEU A 94 15.487 -7.152 -6.703 1.00 0.00 C ATOM 0 H LEU A 94 12.427 -8.898 -9.902 1.00 0.00 H new ATOM 0 HA LEU A 94 15.097 -8.384 -10.591 1.00 0.00 H new ATOM 0 HB2 LEU A 94 13.513 -7.939 -8.439 1.00 0.00 H new ATOM 0 HB3 LEU A 94 14.408 -9.321 -7.839 1.00 0.00 H new ATOM 0 HG LEU A 94 16.538 -8.123 -8.285 1.00 0.00 H new ATOM 0 HD11 LEU A 94 16.476 -5.711 -8.778 1.00 0.00 H new ATOM 0 HD12 LEU A 94 15.777 -6.674 -10.101 1.00 0.00 H new ATOM 0 HD13 LEU A 94 14.710 -5.801 -8.976 1.00 0.00 H new ATOM 0 HD21 LEU A 94 16.320 -6.498 -6.445 1.00 0.00 H new ATOM 0 HD22 LEU A 94 14.548 -6.620 -6.553 1.00 0.00 H new ATOM 0 HD23 LEU A 94 15.509 -8.036 -6.066 1.00 0.00 H new ATOM 1478 N GLU A 95 14.428 -11.478 -9.773 1.00 0.00 N ATOM 1479 CA GLU A 95 14.969 -12.832 -9.735 1.00 0.00 C ATOM 1480 C GLU A 95 15.192 -13.367 -11.146 1.00 0.00 C ATOM 1481 O GLU A 95 14.984 -12.600 -12.109 1.00 0.00 O ATOM 1482 CB GLU A 95 14.024 -13.760 -8.969 1.00 0.00 C ATOM 1483 CG GLU A 95 14.294 -13.804 -7.474 1.00 0.00 C ATOM 1484 CD GLU A 95 13.231 -14.571 -6.713 1.00 0.00 C ATOM 1485 OE1 GLU A 95 12.996 -15.751 -7.048 1.00 0.00 O ATOM 1486 OE2 GLU A 95 12.634 -13.993 -5.780 1.00 0.00 O ATOM 0 H GLU A 95 13.416 -11.425 -9.658 1.00 0.00 H new ATOM 0 HA GLU A 95 15.930 -12.799 -9.221 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.997 -13.436 -9.135 1.00 0.00 H new ATOM 0 HB3 GLU A 95 14.110 -14.768 -9.375 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.266 -14.265 -7.297 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.349 -12.786 -7.088 1.00 0.00 H new TER 1493 GLU A 95