USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 855 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -77:sc= -0.744 USER MOD Single : A 14 ASN : amide:sc= -0.0587 X(o=-0.059,f=-0.059) USER MOD Single : A 19 SER OG : rot 180:sc= 0.00341 USER MOD Single : A 20 MET CE :methyl 145:sc= -3.67! (180deg=-4.54!) USER MOD Single : A 22 GLN : amide:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -4.51! K(o=-4.5!,f=-1.8) USER MOD Single : A 44 ASN : amide:sc= -2.17! C(o=-2.2!,f=-3.5!) USER MOD Single : A 46 TYR OH : rot -161:sc= -0.905 USER MOD Single : A 47 SER OG : rot -140:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -4.85! C(o=-4.9!,f=-3.6!) USER MOD Single : A 53 THR OG1 : rot 58:sc= 0.981 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 61 LYS NZ :NH3+ -119:sc= 0.0888 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0223 K(o=-0.022,f=-8.8!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.27) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.167 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 76 ASN : amide:sc= -0.627 K(o=-0.63,f=-6.3!) USER MOD Single : A 81 ASN : amide:sc= -0.657 K(o=-0.66,f=1) USER MOD Single : A 82 GLN : amide:sc= -0.809 K(o=-0.81,f=-4!) USER MOD Single : A 85 THR OG1 : rot -170:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.209 USER MOD Single : A 89 ASN : amide:sc= -1.49! C(o=-1.5!,f=-4.3!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.845 K(o=-0.84,f=-4.3!) USER MOD Single : A 97 THR OG1 : rot -79:sc= 0.518 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -158:sc= -0.115 (180deg=-0.462) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -85:sc= 1.24 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 128 GLN : amide:sc= 0.0147 X(o=0.015,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -10.020 13.070 -4.783 1.00 0.00 N ATOM 67 CA VAL A 8 -8.718 12.420 -4.882 1.00 0.00 C ATOM 68 C VAL A 8 -8.641 11.530 -6.117 1.00 0.00 C ATOM 69 O VAL A 8 -9.435 10.602 -6.278 1.00 0.00 O ATOM 70 CB VAL A 8 -8.418 11.573 -3.631 1.00 0.00 C ATOM 71 CG1 VAL A 8 -9.377 10.396 -3.541 1.00 0.00 C ATOM 72 CG2 VAL A 8 -6.974 11.094 -3.647 1.00 0.00 C ATOM 0 HA VAL A 8 -7.973 13.212 -4.962 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.561 12.196 -2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.150 9.809 -2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.401 10.765 -3.481 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.268 9.770 -4.426 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.779 10.497 -2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.802 10.487 -4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.305 11.955 -3.661 1.00 0.00 H new ATOM 82 N LYS A 9 -7.679 11.817 -6.987 1.00 0.00 N ATOM 83 CA LYS A 9 -7.495 11.042 -8.208 1.00 0.00 C ATOM 84 C LYS A 9 -7.145 9.593 -7.885 1.00 0.00 C ATOM 85 O LYS A 9 -6.587 9.299 -6.828 1.00 0.00 O ATOM 86 CB LYS A 9 -6.394 11.663 -9.071 1.00 0.00 C ATOM 87 CG LYS A 9 -6.694 13.087 -9.506 1.00 0.00 C ATOM 88 CD LYS A 9 -5.807 13.515 -10.664 1.00 0.00 C ATOM 89 CE LYS A 9 -4.364 13.700 -10.221 1.00 0.00 C ATOM 90 NZ LYS A 9 -3.434 13.778 -11.382 1.00 0.00 N ATOM 0 H LYS A 9 -7.014 12.581 -6.869 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.434 11.056 -8.762 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.457 11.652 -8.514 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.246 11.045 -9.956 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.741 13.166 -9.800 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.547 13.764 -8.664 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.853 12.766 -11.455 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.182 14.448 -11.086 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.280 14.610 -9.627 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.072 12.870 -9.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.460 13.904 -11.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.495 12.900 -11.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.696 14.585 -11.983 1.00 0.00 H new ATOM 104 N PHE A 10 -7.476 8.690 -8.803 1.00 0.00 N ATOM 105 CA PHE A 10 -7.196 7.271 -8.615 1.00 0.00 C ATOM 106 C PHE A 10 -5.995 6.839 -9.452 1.00 0.00 C ATOM 107 O PHE A 10 -5.561 7.557 -10.354 1.00 0.00 O ATOM 108 CB PHE A 10 -8.421 6.434 -8.989 1.00 0.00 C ATOM 109 CG PHE A 10 -9.561 6.573 -8.021 1.00 0.00 C ATOM 110 CD1 PHE A 10 -9.595 5.820 -6.859 1.00 0.00 C ATOM 111 CD2 PHE A 10 -10.597 7.458 -8.273 1.00 0.00 C ATOM 112 CE1 PHE A 10 -10.644 5.946 -5.967 1.00 0.00 C ATOM 113 CE2 PHE A 10 -11.647 7.588 -7.385 1.00 0.00 C ATOM 114 CZ PHE A 10 -11.670 6.832 -6.229 1.00 0.00 C ATOM 0 H PHE A 10 -7.938 8.916 -9.684 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.961 7.108 -7.563 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -8.761 6.726 -9.983 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.130 5.385 -9.047 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.794 5.127 -6.647 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -10.583 8.053 -9.174 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.661 5.351 -5.066 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -12.449 8.280 -7.594 1.00 0.00 H new ATOM 0 HZ PHE A 10 -12.489 6.934 -5.532 1.00 0.00 H new ATOM 124 N LEU A 11 -5.462 5.661 -9.146 1.00 0.00 N ATOM 125 CA LEU A 11 -4.311 5.131 -9.869 1.00 0.00 C ATOM 126 C LEU A 11 -3.312 6.239 -10.188 1.00 0.00 C ATOM 127 O LEU A 11 -2.662 6.221 -11.234 1.00 0.00 O ATOM 128 CB LEU A 11 -4.765 4.450 -11.161 1.00 0.00 C ATOM 129 CG LEU A 11 -5.488 3.113 -10.996 1.00 0.00 C ATOM 130 CD1 LEU A 11 -6.057 2.647 -12.327 1.00 0.00 C ATOM 131 CD2 LEU A 11 -4.547 2.064 -10.420 1.00 0.00 C ATOM 0 H LEU A 11 -5.808 5.055 -8.402 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.819 4.396 -9.232 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.424 5.133 -11.696 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.890 4.292 -11.792 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.314 3.252 -10.299 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.568 1.694 -12.191 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.764 3.388 -12.700 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.247 2.525 -13.046 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.079 1.119 -10.310 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.700 1.927 -11.092 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.187 2.394 -9.445 1.00 0.00 H new ATOM 143 N THR A 12 -3.193 7.201 -9.279 1.00 0.00 N ATOM 144 CA THR A 12 -2.272 8.316 -9.462 1.00 0.00 C ATOM 145 C THR A 12 -1.505 8.613 -8.179 1.00 0.00 C ATOM 146 O THR A 12 -2.057 8.531 -7.081 1.00 0.00 O ATOM 147 CB THR A 12 -3.014 9.590 -9.910 1.00 0.00 C ATOM 148 OG1 THR A 12 -4.093 9.870 -9.010 1.00 0.00 O ATOM 149 CG2 THR A 12 -3.554 9.433 -11.323 1.00 0.00 C ATOM 0 H THR A 12 -3.723 7.231 -8.408 1.00 0.00 H new ATOM 0 HA THR A 12 -1.569 8.020 -10.241 1.00 0.00 H new ATOM 0 HB THR A 12 -2.307 10.419 -9.898 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.841 9.265 -9.198 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.074 10.345 -11.617 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.728 9.248 -12.010 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.248 8.593 -11.356 1.00 0.00 H new ATOM 157 N VAL A 13 -0.230 8.959 -8.323 1.00 0.00 N ATOM 158 CA VAL A 13 0.613 9.270 -7.175 1.00 0.00 C ATOM 159 C VAL A 13 0.297 10.655 -6.621 1.00 0.00 C ATOM 160 O VAL A 13 0.727 11.668 -7.172 1.00 0.00 O ATOM 161 CB VAL A 13 2.107 9.204 -7.541 1.00 0.00 C ATOM 162 CG1 VAL A 13 2.968 9.568 -6.341 1.00 0.00 C ATOM 163 CG2 VAL A 13 2.466 7.822 -8.066 1.00 0.00 C ATOM 0 H VAL A 13 0.242 9.031 -9.224 1.00 0.00 H new ATOM 0 HA VAL A 13 0.400 8.520 -6.413 1.00 0.00 H new ATOM 0 HB VAL A 13 2.302 9.930 -8.331 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.021 9.516 -6.619 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.729 10.580 -6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.773 8.869 -5.528 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.526 7.793 -8.320 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.256 7.076 -7.300 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.874 7.605 -8.955 1.00 0.00 H new ATOM 173 N ASN A 14 -0.457 10.691 -5.527 1.00 0.00 N ATOM 174 CA ASN A 14 -0.830 11.953 -4.897 1.00 0.00 C ATOM 175 C ASN A 14 0.334 12.527 -4.096 1.00 0.00 C ATOM 176 O ASN A 14 0.846 11.885 -3.179 1.00 0.00 O ATOM 177 CB ASN A 14 -2.042 11.752 -3.985 1.00 0.00 C ATOM 178 CG ASN A 14 -3.093 10.854 -4.609 1.00 0.00 C ATOM 179 OD1 ASN A 14 -3.731 11.219 -5.596 1.00 0.00 O ATOM 180 ND2 ASN A 14 -3.277 9.671 -4.033 1.00 0.00 N ATOM 0 H ASN A 14 -0.822 9.862 -5.058 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.089 12.661 -5.684 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.714 11.320 -3.039 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.486 12.721 -3.756 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.970 9.024 -4.408 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.725 9.410 -3.216 1.00 0.00 H new ATOM 187 N ASP A 15 0.747 13.740 -4.449 1.00 0.00 N ATOM 188 CA ASP A 15 1.849 14.402 -3.762 1.00 0.00 C ATOM 189 C ASP A 15 1.720 14.246 -2.250 1.00 0.00 C ATOM 190 O ASP A 15 2.663 13.833 -1.575 1.00 0.00 O ATOM 191 CB ASP A 15 1.892 15.885 -4.133 1.00 0.00 C ATOM 192 CG ASP A 15 0.685 16.645 -3.619 1.00 0.00 C ATOM 193 OD1 ASP A 15 -0.426 16.419 -4.143 1.00 0.00 O ATOM 194 OD2 ASP A 15 0.851 17.466 -2.693 1.00 0.00 O ATOM 0 H ASP A 15 0.335 14.284 -5.207 1.00 0.00 H new ATOM 0 HA ASP A 15 2.778 13.929 -4.079 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.799 16.332 -3.727 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.946 15.984 -5.217 1.00 0.00 H new ATOM 199 N ASP A 16 0.546 14.581 -1.725 1.00 0.00 N ATOM 200 CA ASP A 16 0.293 14.479 -0.292 1.00 0.00 C ATOM 201 C ASP A 16 0.988 13.255 0.297 1.00 0.00 C ATOM 202 O ASP A 16 0.615 12.118 0.007 1.00 0.00 O ATOM 203 CB ASP A 16 -1.211 14.405 -0.023 1.00 0.00 C ATOM 204 CG ASP A 16 -1.926 15.695 -0.375 1.00 0.00 C ATOM 205 OD1 ASP A 16 -1.942 16.613 0.470 1.00 0.00 O ATOM 206 OD2 ASP A 16 -2.470 15.785 -1.496 1.00 0.00 O ATOM 0 H ASP A 16 -0.245 14.925 -2.270 1.00 0.00 H new ATOM 0 HA ASP A 16 0.697 15.370 0.188 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.640 13.586 -0.600 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.378 14.176 1.029 1.00 0.00 H new ATOM 211 N ILE A 17 2.001 13.496 1.122 1.00 0.00 N ATOM 212 CA ILE A 17 2.748 12.414 1.751 1.00 0.00 C ATOM 213 C ILE A 17 2.128 12.023 3.088 1.00 0.00 C ATOM 214 O ILE A 17 1.857 12.877 3.933 1.00 0.00 O ATOM 215 CB ILE A 17 4.221 12.803 1.975 1.00 0.00 C ATOM 216 CG1 ILE A 17 4.312 14.104 2.777 1.00 0.00 C ATOM 217 CG2 ILE A 17 4.940 12.945 0.642 1.00 0.00 C ATOM 218 CD1 ILE A 17 5.727 14.490 3.143 1.00 0.00 C ATOM 0 H ILE A 17 2.323 14.431 1.371 1.00 0.00 H new ATOM 0 HA ILE A 17 2.705 11.563 1.071 1.00 0.00 H new ATOM 0 HB ILE A 17 4.707 12.012 2.546 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.862 14.911 2.198 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.725 14.001 3.689 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.980 13.220 0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.901 11.997 0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.455 13.719 0.048 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.715 15.421 3.710 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.174 13.702 3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.314 14.626 2.234 1.00 0.00 H new ATOM 230 N LEU A 18 1.906 10.727 3.275 1.00 0.00 N ATOM 231 CA LEU A 18 1.320 10.220 4.511 1.00 0.00 C ATOM 232 C LEU A 18 1.782 8.793 4.788 1.00 0.00 C ATOM 233 O LEU A 18 1.898 7.979 3.873 1.00 0.00 O ATOM 234 CB LEU A 18 -0.207 10.268 4.430 1.00 0.00 C ATOM 235 CG LEU A 18 -0.840 11.658 4.500 1.00 0.00 C ATOM 236 CD1 LEU A 18 -2.353 11.562 4.379 1.00 0.00 C ATOM 237 CD2 LEU A 18 -0.450 12.357 5.794 1.00 0.00 C ATOM 0 H LEU A 18 2.123 10.007 2.586 1.00 0.00 H new ATOM 0 HA LEU A 18 1.655 10.855 5.331 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.516 9.797 3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.613 9.665 5.242 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.466 12.249 3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.786 12.561 4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.613 11.103 3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.745 10.954 5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.909 13.345 5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.795 11.768 6.644 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.634 12.459 5.840 1.00 0.00 H new ATOM 249 N SER A 19 2.043 8.498 6.058 1.00 0.00 N ATOM 250 CA SER A 19 2.493 7.169 6.456 1.00 0.00 C ATOM 251 C SER A 19 1.532 6.096 5.954 1.00 0.00 C ATOM 252 O SER A 19 0.460 6.402 5.434 1.00 0.00 O ATOM 253 CB SER A 19 2.620 7.086 7.978 1.00 0.00 C ATOM 254 OG SER A 19 3.220 8.256 8.505 1.00 0.00 O ATOM 0 H SER A 19 1.951 9.161 6.828 1.00 0.00 H new ATOM 0 HA SER A 19 3.471 6.994 6.007 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.634 6.948 8.421 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.216 6.214 8.249 1.00 0.00 H new ATOM 0 HG SER A 19 3.288 8.178 9.480 1.00 0.00 H new ATOM 260 N MET A 20 1.925 4.837 6.115 1.00 0.00 N ATOM 261 CA MET A 20 1.098 3.717 5.680 1.00 0.00 C ATOM 262 C MET A 20 -0.276 3.767 6.341 1.00 0.00 C ATOM 263 O MET A 20 -1.312 3.684 5.681 1.00 0.00 O ATOM 264 CB MET A 20 1.785 2.390 6.006 1.00 0.00 C ATOM 265 CG MET A 20 1.520 1.300 4.981 1.00 0.00 C ATOM 266 SD MET A 20 0.085 0.291 5.395 1.00 0.00 S ATOM 267 CE MET A 20 -0.354 -0.351 3.782 1.00 0.00 C ATOM 0 H MET A 20 2.810 4.567 6.543 1.00 0.00 H new ATOM 0 HA MET A 20 0.966 3.794 4.601 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.860 2.555 6.079 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.448 2.047 6.984 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.369 1.756 4.003 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.399 0.660 4.902 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.734 -1.367 3.886 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.123 0.280 3.336 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.527 -0.357 3.141 1.00 0.00 H new ATOM 277 N PRO A 21 -0.288 3.906 7.675 1.00 0.00 N ATOM 278 CA PRO A 21 -1.528 3.970 8.454 1.00 0.00 C ATOM 279 C PRO A 21 -2.296 5.265 8.214 1.00 0.00 C ATOM 280 O PRO A 21 -3.508 5.326 8.422 1.00 0.00 O ATOM 281 CB PRO A 21 -1.041 3.897 9.903 1.00 0.00 C ATOM 282 CG PRO A 21 0.353 4.421 9.861 1.00 0.00 C ATOM 283 CD PRO A 21 0.909 4.011 8.526 1.00 0.00 C ATOM 0 HA PRO A 21 -2.222 3.174 8.183 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.669 4.496 10.562 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.068 2.874 10.279 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.366 5.505 9.973 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.949 4.009 10.675 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.613 4.749 8.140 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.443 3.063 8.587 1.00 0.00 H new ATOM 291 N GLN A 22 -1.584 6.298 7.776 1.00 0.00 N ATOM 292 CA GLN A 22 -2.200 7.592 7.508 1.00 0.00 C ATOM 293 C GLN A 22 -2.763 7.645 6.092 1.00 0.00 C ATOM 294 O GLN A 22 -3.749 8.332 5.830 1.00 0.00 O ATOM 295 CB GLN A 22 -1.183 8.716 7.708 1.00 0.00 C ATOM 296 CG GLN A 22 -0.866 8.998 9.168 1.00 0.00 C ATOM 297 CD GLN A 22 -1.898 9.891 9.828 1.00 0.00 C ATOM 298 OE1 GLN A 22 -2.661 9.448 10.687 1.00 0.00 O ATOM 299 NE2 GLN A 22 -1.927 11.157 9.429 1.00 0.00 N ATOM 0 H GLN A 22 -0.580 6.264 7.599 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.022 7.727 8.211 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.261 8.457 7.188 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.564 9.626 7.245 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.806 8.055 9.711 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.114 9.469 9.238 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.276 11.481 8.714 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.600 11.805 9.837 1.00 0.00 H new ATOM 308 N ALA A 23 -2.127 6.915 5.181 1.00 0.00 N ATOM 309 CA ALA A 23 -2.565 6.878 3.791 1.00 0.00 C ATOM 310 C ALA A 23 -3.805 6.005 3.629 1.00 0.00 C ATOM 311 O ALA A 23 -4.886 6.500 3.308 1.00 0.00 O ATOM 312 CB ALA A 23 -1.442 6.374 2.897 1.00 0.00 C ATOM 0 H ALA A 23 -1.307 6.342 5.381 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.826 7.893 3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.783 6.352 1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.583 7.040 2.982 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.154 5.369 3.206 1.00 0.00 H new ATOM 318 N ARG A 24 -3.641 4.706 3.852 1.00 0.00 N ATOM 319 CA ARG A 24 -4.748 3.764 3.728 1.00 0.00 C ATOM 320 C ARG A 24 -6.025 4.344 4.328 1.00 0.00 C ATOM 321 O ARG A 24 -7.113 4.171 3.781 1.00 0.00 O ATOM 322 CB ARG A 24 -4.401 2.444 4.420 1.00 0.00 C ATOM 323 CG ARG A 24 -4.183 2.580 5.918 1.00 0.00 C ATOM 324 CD ARG A 24 -3.694 1.276 6.530 1.00 0.00 C ATOM 325 NE ARG A 24 -4.083 1.150 7.932 1.00 0.00 N ATOM 326 CZ ARG A 24 -4.137 -0.009 8.578 1.00 0.00 C ATOM 327 NH1 ARG A 24 -3.828 -1.136 7.951 1.00 0.00 N ATOM 328 NH2 ARG A 24 -4.501 -0.043 9.853 1.00 0.00 N ATOM 0 H ARG A 24 -2.753 4.281 4.119 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.917 3.578 2.667 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.204 1.728 4.242 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.500 2.032 3.966 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.456 3.369 6.111 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.115 2.881 6.397 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.098 0.436 5.965 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.608 1.222 6.449 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.327 1.999 8.443 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.548 -1.114 6.970 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.870 -2.025 8.449 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.740 0.822 10.338 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.542 -0.934 10.348 1.00 0.00 H new ATOM 342 N ASN A 25 -5.883 5.033 5.456 1.00 0.00 N ATOM 343 CA ASN A 25 -7.026 5.638 6.131 1.00 0.00 C ATOM 344 C ASN A 25 -7.653 6.728 5.267 1.00 0.00 C ATOM 345 O ASN A 25 -8.873 6.890 5.241 1.00 0.00 O ATOM 346 CB ASN A 25 -6.598 6.223 7.479 1.00 0.00 C ATOM 347 CG ASN A 25 -7.436 7.420 7.882 1.00 0.00 C ATOM 348 OD1 ASN A 25 -8.655 7.319 8.022 1.00 0.00 O ATOM 349 ND2 ASN A 25 -6.785 8.562 8.070 1.00 0.00 N ATOM 0 H ASN A 25 -4.988 5.186 5.922 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.770 4.860 6.300 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.676 5.453 8.247 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.550 6.517 7.428 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.296 9.402 8.342 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.774 8.599 7.943 1.00 0.00 H new ATOM 356 N PHE A 26 -6.809 7.474 4.561 1.00 0.00 N ATOM 357 CA PHE A 26 -7.280 8.550 3.696 1.00 0.00 C ATOM 358 C PHE A 26 -8.049 7.991 2.502 1.00 0.00 C ATOM 359 O PHE A 26 -9.247 8.234 2.351 1.00 0.00 O ATOM 360 CB PHE A 26 -6.101 9.394 3.208 1.00 0.00 C ATOM 361 CG PHE A 26 -6.508 10.540 2.327 1.00 0.00 C ATOM 362 CD1 PHE A 26 -6.645 10.365 0.959 1.00 0.00 C ATOM 363 CD2 PHE A 26 -6.754 11.792 2.866 1.00 0.00 C ATOM 364 CE1 PHE A 26 -7.019 11.419 0.146 1.00 0.00 C ATOM 365 CE2 PHE A 26 -7.129 12.849 2.059 1.00 0.00 C ATOM 366 CZ PHE A 26 -7.262 12.662 0.697 1.00 0.00 C ATOM 0 H PHE A 26 -5.796 7.353 4.571 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.953 9.181 4.276 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.562 9.784 4.071 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.408 8.754 2.661 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.458 9.395 0.523 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.651 11.944 3.930 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -7.121 11.270 -0.919 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.318 13.820 2.493 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.556 13.486 0.064 1.00 0.00 H new ATOM 376 N CYS A 27 -7.351 7.241 1.656 1.00 0.00 N ATOM 377 CA CYS A 27 -7.966 6.647 0.474 1.00 0.00 C ATOM 378 C CYS A 27 -9.365 6.128 0.792 1.00 0.00 C ATOM 379 O CYS A 27 -10.295 6.300 0.004 1.00 0.00 O ATOM 380 CB CYS A 27 -7.096 5.507 -0.060 1.00 0.00 C ATOM 381 SG CYS A 27 -5.563 6.060 -0.873 1.00 0.00 S ATOM 0 H CYS A 27 -6.359 7.030 1.767 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.049 7.420 -0.290 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.838 4.844 0.766 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.680 4.920 -0.769 1.00 0.00 H new ATOM 386 N ALA A 28 -9.507 5.494 1.951 1.00 0.00 N ATOM 387 CA ALA A 28 -10.792 4.952 2.373 1.00 0.00 C ATOM 388 C ALA A 28 -11.813 6.064 2.585 1.00 0.00 C ATOM 389 O ALA A 28 -12.940 5.987 2.096 1.00 0.00 O ATOM 390 CB ALA A 28 -10.628 4.134 3.646 1.00 0.00 C ATOM 0 H ALA A 28 -8.747 5.343 2.615 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.161 4.301 1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.596 3.735 3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.938 3.311 3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.233 4.770 4.438 1.00 0.00 H new ATOM 396 N SER A 29 -11.412 7.098 3.319 1.00 0.00 N ATOM 397 CA SER A 29 -12.295 8.224 3.599 1.00 0.00 C ATOM 398 C SER A 29 -12.825 8.834 2.305 1.00 0.00 C ATOM 399 O SER A 29 -14.016 9.119 2.183 1.00 0.00 O ATOM 400 CB SER A 29 -11.555 9.289 4.412 1.00 0.00 C ATOM 401 OG SER A 29 -12.466 10.164 5.055 1.00 0.00 O ATOM 0 H SER A 29 -10.482 7.179 3.730 1.00 0.00 H new ATOM 0 HA SER A 29 -13.141 7.855 4.179 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.921 8.807 5.157 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.898 9.861 3.756 1.00 0.00 H new ATOM 0 HG SER A 29 -11.969 10.834 5.569 1.00 0.00 H new ATOM 407 N ALA A 30 -11.931 9.032 1.342 1.00 0.00 N ATOM 408 CA ALA A 30 -12.308 9.607 0.056 1.00 0.00 C ATOM 409 C ALA A 30 -13.259 8.684 -0.699 1.00 0.00 C ATOM 410 O ALA A 30 -14.198 9.141 -1.348 1.00 0.00 O ATOM 411 CB ALA A 30 -11.069 9.890 -0.779 1.00 0.00 C ATOM 0 H ALA A 30 -10.941 8.803 1.428 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.828 10.547 0.243 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.365 10.319 -1.736 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.426 10.593 -0.250 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.526 8.961 -0.951 1.00 0.00 H new ATOM 417 N GLY A 31 -13.007 7.381 -0.611 1.00 0.00 N ATOM 418 CA GLY A 31 -13.849 6.415 -1.292 1.00 0.00 C ATOM 419 C GLY A 31 -13.048 5.436 -2.127 1.00 0.00 C ATOM 420 O GLY A 31 -13.414 5.132 -3.262 1.00 0.00 O ATOM 0 H GLY A 31 -12.235 6.978 -0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.435 5.865 -0.556 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.556 6.942 -1.933 1.00 0.00 H new ATOM 424 N GLY A 32 -11.950 4.940 -1.564 1.00 0.00 N ATOM 425 CA GLY A 32 -11.112 3.996 -2.280 1.00 0.00 C ATOM 426 C GLY A 32 -10.202 3.212 -1.355 1.00 0.00 C ATOM 427 O GLY A 32 -10.456 3.120 -0.154 1.00 0.00 O ATOM 0 H GLY A 32 -11.626 5.175 -0.626 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.744 3.303 -2.836 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.507 4.533 -3.011 1.00 0.00 H new ATOM 431 N TYR A 33 -9.139 2.644 -1.915 1.00 0.00 N ATOM 432 CA TYR A 33 -8.191 1.860 -1.133 1.00 0.00 C ATOM 433 C TYR A 33 -6.873 1.692 -1.884 1.00 0.00 C ATOM 434 O TYR A 33 -6.850 1.624 -3.113 1.00 0.00 O ATOM 435 CB TYR A 33 -8.781 0.488 -0.802 1.00 0.00 C ATOM 436 CG TYR A 33 -9.187 -0.306 -2.022 1.00 0.00 C ATOM 437 CD1 TYR A 33 -8.287 -1.154 -2.655 1.00 0.00 C ATOM 438 CD2 TYR A 33 -10.473 -0.210 -2.541 1.00 0.00 C ATOM 439 CE1 TYR A 33 -8.654 -1.881 -3.771 1.00 0.00 C ATOM 440 CE2 TYR A 33 -10.849 -0.935 -3.656 1.00 0.00 C ATOM 441 CZ TYR A 33 -9.936 -1.768 -4.267 1.00 0.00 C ATOM 442 OH TYR A 33 -10.306 -2.492 -5.378 1.00 0.00 O ATOM 0 H TYR A 33 -8.913 2.712 -2.907 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.994 2.396 -0.205 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.049 -0.085 -0.233 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.651 0.621 -0.159 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.283 -1.247 -2.268 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.190 0.442 -2.065 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.941 -2.534 -4.252 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.852 -0.849 -4.046 1.00 0.00 H new ATOM 0 HH TYR A 33 -11.242 -2.300 -5.597 1.00 0.00 H new ATOM 452 N LEU A 34 -5.778 1.625 -1.135 1.00 0.00 N ATOM 453 CA LEU A 34 -4.455 1.464 -1.728 1.00 0.00 C ATOM 454 C LEU A 34 -4.511 0.544 -2.944 1.00 0.00 C ATOM 455 O LEU A 34 -5.260 -0.433 -2.961 1.00 0.00 O ATOM 456 CB LEU A 34 -3.476 0.903 -0.695 1.00 0.00 C ATOM 457 CG LEU A 34 -2.939 1.900 0.332 1.00 0.00 C ATOM 458 CD1 LEU A 34 -2.124 1.184 1.397 1.00 0.00 C ATOM 459 CD2 LEU A 34 -2.102 2.971 -0.352 1.00 0.00 C ATOM 0 H LEU A 34 -5.780 1.680 -0.116 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.108 2.445 -2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.969 0.091 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.629 0.467 -1.226 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.787 2.384 0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.750 1.910 2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.753 0.455 1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.283 0.672 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.728 3.672 0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.261 2.504 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.717 3.506 -1.076 1.00 0.00 H new ATOM 471 N ALA A 35 -3.713 0.862 -3.958 1.00 0.00 N ATOM 472 CA ALA A 35 -3.669 0.062 -5.175 1.00 0.00 C ATOM 473 C ALA A 35 -2.777 -1.162 -4.996 1.00 0.00 C ATOM 474 O ALA A 35 -1.775 -1.113 -4.283 1.00 0.00 O ATOM 475 CB ALA A 35 -3.182 0.906 -6.344 1.00 0.00 C ATOM 0 H ALA A 35 -3.088 1.668 -3.960 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.680 -0.286 -5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.154 0.296 -7.247 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.861 1.745 -6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.182 1.282 -6.129 1.00 0.00 H new ATOM 481 N ASP A 36 -3.148 -2.259 -5.647 1.00 0.00 N ATOM 482 CA ASP A 36 -2.382 -3.496 -5.560 1.00 0.00 C ATOM 483 C ASP A 36 -1.211 -3.480 -6.538 1.00 0.00 C ATOM 484 O ASP A 36 -1.139 -2.625 -7.421 1.00 0.00 O ATOM 485 CB ASP A 36 -3.282 -4.700 -5.842 1.00 0.00 C ATOM 486 CG ASP A 36 -4.422 -4.363 -6.782 1.00 0.00 C ATOM 487 OD1 ASP A 36 -4.148 -3.859 -7.892 1.00 0.00 O ATOM 488 OD2 ASP A 36 -5.589 -4.603 -6.409 1.00 0.00 O ATOM 0 H ASP A 36 -3.975 -2.316 -6.241 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.986 -3.578 -4.548 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.685 -5.503 -6.273 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.688 -5.074 -4.902 1.00 0.00 H new ATOM 493 N ASP A 37 -0.297 -4.430 -6.374 1.00 0.00 N ATOM 494 CA ASP A 37 0.871 -4.525 -7.242 1.00 0.00 C ATOM 495 C ASP A 37 1.089 -5.963 -7.704 1.00 0.00 C ATOM 496 O ASP A 37 2.222 -6.386 -7.938 1.00 0.00 O ATOM 497 CB ASP A 37 2.117 -4.015 -6.516 1.00 0.00 C ATOM 498 CG ASP A 37 3.147 -3.440 -7.467 1.00 0.00 C ATOM 499 OD1 ASP A 37 2.790 -3.159 -8.630 1.00 0.00 O ATOM 500 OD2 ASP A 37 4.312 -3.271 -7.048 1.00 0.00 O ATOM 0 H ASP A 37 -0.342 -5.145 -5.648 1.00 0.00 H new ATOM 0 HA ASP A 37 0.692 -3.903 -8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.826 -3.251 -5.795 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.565 -4.833 -5.951 1.00 0.00 H new ATOM 505 N LEU A 38 -0.002 -6.710 -7.831 1.00 0.00 N ATOM 506 CA LEU A 38 0.070 -8.101 -8.264 1.00 0.00 C ATOM 507 C LEU A 38 -0.342 -8.238 -9.726 1.00 0.00 C ATOM 508 O LEU A 38 -1.528 -8.317 -10.043 1.00 0.00 O ATOM 509 CB LEU A 38 -0.827 -8.975 -7.385 1.00 0.00 C ATOM 510 CG LEU A 38 -2.113 -8.322 -6.878 1.00 0.00 C ATOM 511 CD1 LEU A 38 -3.216 -9.358 -6.731 1.00 0.00 C ATOM 512 CD2 LEU A 38 -1.864 -7.613 -5.554 1.00 0.00 C ATOM 0 H LEU A 38 -0.947 -6.376 -7.640 1.00 0.00 H new ATOM 0 HA LEU A 38 1.103 -8.435 -8.164 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.095 -9.868 -7.949 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.247 -9.305 -6.523 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.435 -7.581 -7.610 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.123 -8.875 -6.369 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.412 -9.820 -7.698 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.904 -10.123 -6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.790 -7.154 -5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.518 -8.335 -4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.106 -6.842 -5.691 1.00 0.00 H new ATOM 524 N GLY A 39 0.648 -8.269 -10.614 1.00 0.00 N ATOM 525 CA GLY A 39 0.368 -8.400 -12.032 1.00 0.00 C ATOM 526 C GLY A 39 1.488 -7.855 -12.896 1.00 0.00 C ATOM 527 O GLY A 39 1.741 -6.650 -12.910 1.00 0.00 O ATOM 0 H GLY A 39 1.638 -8.206 -10.377 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.207 -9.451 -12.272 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.557 -7.874 -12.267 1.00 0.00 H new ATOM 531 N ASP A 40 2.163 -8.744 -13.616 1.00 0.00 N ATOM 532 CA ASP A 40 3.263 -8.347 -14.487 1.00 0.00 C ATOM 533 C ASP A 40 2.944 -7.038 -15.202 1.00 0.00 C ATOM 534 O ASP A 40 3.828 -6.211 -15.429 1.00 0.00 O ATOM 535 CB ASP A 40 3.553 -9.445 -15.511 1.00 0.00 C ATOM 536 CG ASP A 40 3.723 -10.807 -14.868 1.00 0.00 C ATOM 537 OD1 ASP A 40 2.705 -11.396 -14.448 1.00 0.00 O ATOM 538 OD2 ASP A 40 4.873 -11.284 -14.786 1.00 0.00 O ATOM 0 H ASP A 40 1.968 -9.745 -13.614 1.00 0.00 H new ATOM 0 HA ASP A 40 4.148 -8.196 -13.868 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.739 -9.487 -16.234 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.458 -9.192 -16.064 1.00 0.00 H new ATOM 543 N ASP A 41 1.676 -6.857 -15.556 1.00 0.00 N ATOM 544 CA ASP A 41 1.240 -5.648 -16.246 1.00 0.00 C ATOM 545 C ASP A 41 0.987 -4.517 -15.254 1.00 0.00 C ATOM 546 O ASP A 41 1.225 -3.347 -15.555 1.00 0.00 O ATOM 547 CB ASP A 41 -0.027 -5.926 -17.056 1.00 0.00 C ATOM 548 CG ASP A 41 0.167 -7.034 -18.073 1.00 0.00 C ATOM 549 OD1 ASP A 41 1.099 -6.925 -18.897 1.00 0.00 O ATOM 550 OD2 ASP A 41 -0.613 -8.009 -18.045 1.00 0.00 O ATOM 0 H ASP A 41 0.932 -7.532 -15.377 1.00 0.00 H new ATOM 0 HA ASP A 41 2.035 -5.340 -16.925 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.836 -6.197 -16.378 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.333 -5.015 -17.570 1.00 0.00 H new ATOM 555 N LYS A 42 0.501 -4.874 -14.070 1.00 0.00 N ATOM 556 CA LYS A 42 0.215 -3.891 -13.032 1.00 0.00 C ATOM 557 C LYS A 42 1.499 -3.234 -12.535 1.00 0.00 C ATOM 558 O LYS A 42 1.573 -2.013 -12.406 1.00 0.00 O ATOM 559 CB LYS A 42 -0.518 -4.552 -11.862 1.00 0.00 C ATOM 560 CG LYS A 42 -1.454 -3.612 -11.122 1.00 0.00 C ATOM 561 CD LYS A 42 -2.721 -3.346 -11.917 1.00 0.00 C ATOM 562 CE LYS A 42 -3.568 -2.261 -11.270 1.00 0.00 C ATOM 563 NZ LYS A 42 -4.674 -1.815 -12.161 1.00 0.00 N ATOM 0 H LYS A 42 0.297 -5.838 -13.805 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.423 -3.120 -13.464 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.090 -5.401 -12.236 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.217 -4.947 -11.160 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.714 -4.043 -10.155 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.943 -2.670 -10.924 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.459 -3.047 -12.932 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.302 -4.265 -11.995 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.984 -2.635 -10.334 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.937 -1.408 -11.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.228 -1.075 -11.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.277 -1.435 -13.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.291 -2.623 -12.379 1.00 0.00 H new ATOM 577 N ASN A 43 2.509 -4.053 -12.260 1.00 0.00 N ATOM 578 CA ASN A 43 3.791 -3.551 -11.778 1.00 0.00 C ATOM 579 C ASN A 43 4.493 -2.731 -12.856 1.00 0.00 C ATOM 580 O ASN A 43 5.021 -1.654 -12.584 1.00 0.00 O ATOM 581 CB ASN A 43 4.685 -4.713 -11.342 1.00 0.00 C ATOM 582 CG ASN A 43 6.137 -4.301 -11.193 1.00 0.00 C ATOM 583 OD1 ASN A 43 6.663 -4.228 -10.082 1.00 0.00 O ATOM 584 ND2 ASN A 43 6.792 -4.028 -12.316 1.00 0.00 N ATOM 0 H ASN A 43 2.465 -5.067 -12.363 1.00 0.00 H new ATOM 0 HA ASN A 43 3.602 -2.905 -10.920 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.324 -5.110 -10.393 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.612 -5.518 -12.073 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.771 -3.745 -12.279 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.316 -4.102 -13.215 1.00 0.00 H new ATOM 591 N ASN A 44 4.494 -3.249 -14.080 1.00 0.00 N ATOM 592 CA ASN A 44 5.132 -2.564 -15.199 1.00 0.00 C ATOM 593 C ASN A 44 4.561 -1.160 -15.374 1.00 0.00 C ATOM 594 O ASN A 44 5.292 -0.213 -15.662 1.00 0.00 O ATOM 595 CB ASN A 44 4.945 -3.367 -16.488 1.00 0.00 C ATOM 596 CG ASN A 44 5.931 -4.514 -16.603 1.00 0.00 C ATOM 597 OD1 ASN A 44 7.074 -4.411 -16.156 1.00 0.00 O ATOM 598 ND2 ASN A 44 5.492 -5.613 -17.204 1.00 0.00 N ATOM 0 H ASN A 44 4.061 -4.140 -14.322 1.00 0.00 H new ATOM 0 HA ASN A 44 6.197 -2.479 -14.982 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.929 -3.760 -16.524 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.061 -2.704 -17.346 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.110 -6.417 -17.311 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.537 -5.653 -17.559 1.00 0.00 H new ATOM 605 N PHE A 45 3.250 -1.034 -15.197 1.00 0.00 N ATOM 606 CA PHE A 45 2.580 0.254 -15.335 1.00 0.00 C ATOM 607 C PHE A 45 3.062 1.235 -14.270 1.00 0.00 C ATOM 608 O PHE A 45 3.221 2.427 -14.535 1.00 0.00 O ATOM 609 CB PHE A 45 1.064 0.078 -15.234 1.00 0.00 C ATOM 610 CG PHE A 45 0.342 1.325 -14.811 1.00 0.00 C ATOM 611 CD1 PHE A 45 0.328 2.444 -15.629 1.00 0.00 C ATOM 612 CD2 PHE A 45 -0.321 1.380 -13.596 1.00 0.00 C ATOM 613 CE1 PHE A 45 -0.336 3.593 -15.244 1.00 0.00 C ATOM 614 CE2 PHE A 45 -0.986 2.527 -13.205 1.00 0.00 C ATOM 615 CZ PHE A 45 -0.993 3.635 -14.030 1.00 0.00 C ATOM 0 H PHE A 45 2.630 -1.808 -14.958 1.00 0.00 H new ATOM 0 HA PHE A 45 2.827 0.660 -16.316 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.679 -0.245 -16.201 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.845 -0.718 -14.522 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.842 2.417 -16.578 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.318 0.517 -12.947 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.341 4.457 -15.892 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.500 2.557 -12.255 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.511 4.532 -13.726 1.00 0.00 H new ATOM 625 N TYR A 46 3.292 0.724 -13.066 1.00 0.00 N ATOM 626 CA TYR A 46 3.753 1.555 -11.959 1.00 0.00 C ATOM 627 C TYR A 46 5.204 1.979 -12.163 1.00 0.00 C ATOM 628 O TYR A 46 5.540 3.157 -12.048 1.00 0.00 O ATOM 629 CB TYR A 46 3.611 0.801 -10.635 1.00 0.00 C ATOM 630 CG TYR A 46 2.177 0.612 -10.197 1.00 0.00 C ATOM 631 CD1 TYR A 46 1.323 1.699 -10.055 1.00 0.00 C ATOM 632 CD2 TYR A 46 1.674 -0.655 -9.925 1.00 0.00 C ATOM 633 CE1 TYR A 46 0.012 1.530 -9.654 1.00 0.00 C ATOM 634 CE2 TYR A 46 0.364 -0.833 -9.525 1.00 0.00 C ATOM 635 CZ TYR A 46 -0.463 0.262 -9.390 1.00 0.00 C ATOM 636 OH TYR A 46 -1.769 0.090 -8.992 1.00 0.00 O ATOM 0 H TYR A 46 3.167 -0.261 -12.831 1.00 0.00 H new ATOM 0 HA TYR A 46 3.133 2.451 -11.928 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.085 -0.176 -10.730 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.151 1.343 -9.858 1.00 0.00 H new ATOM 0 HD1 TYR A 46 1.691 2.693 -10.262 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.319 -1.515 -10.028 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.638 2.386 -9.548 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.011 -1.825 -9.319 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.868 -0.786 -8.563 1.00 0.00 H new ATOM 646 N SER A 47 6.060 1.008 -12.468 1.00 0.00 N ATOM 647 CA SER A 47 7.476 1.279 -12.686 1.00 0.00 C ATOM 648 C SER A 47 7.665 2.506 -13.572 1.00 0.00 C ATOM 649 O SER A 47 8.658 3.223 -13.454 1.00 0.00 O ATOM 650 CB SER A 47 8.156 0.066 -13.324 1.00 0.00 C ATOM 651 OG SER A 47 9.563 0.228 -13.355 1.00 0.00 O ATOM 0 H SER A 47 5.797 0.028 -12.570 1.00 0.00 H new ATOM 0 HA SER A 47 7.936 1.478 -11.718 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.903 -0.834 -12.763 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.780 -0.074 -14.338 1.00 0.00 H new ATOM 0 HG SER A 47 9.913 -0.111 -14.205 1.00 0.00 H new ATOM 657 N SER A 48 6.703 2.742 -14.458 1.00 0.00 N ATOM 658 CA SER A 48 6.764 3.881 -15.367 1.00 0.00 C ATOM 659 C SER A 48 6.354 5.167 -14.656 1.00 0.00 C ATOM 660 O SER A 48 7.185 6.038 -14.398 1.00 0.00 O ATOM 661 CB SER A 48 5.859 3.643 -16.578 1.00 0.00 C ATOM 662 OG SER A 48 6.263 4.436 -17.680 1.00 0.00 O ATOM 0 H SER A 48 5.872 2.160 -14.566 1.00 0.00 H new ATOM 0 HA SER A 48 7.794 3.988 -15.707 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.886 2.589 -16.855 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.827 3.877 -16.316 1.00 0.00 H new ATOM 0 HG SER A 48 5.670 4.264 -18.441 1.00 0.00 H new ATOM 668 N ILE A 49 5.068 5.277 -14.342 1.00 0.00 N ATOM 669 CA ILE A 49 4.547 6.455 -13.659 1.00 0.00 C ATOM 670 C ILE A 49 5.255 6.676 -12.327 1.00 0.00 C ATOM 671 O ILE A 49 5.136 7.739 -11.719 1.00 0.00 O ATOM 672 CB ILE A 49 3.032 6.336 -13.409 1.00 0.00 C ATOM 673 CG1 ILE A 49 2.745 5.219 -12.404 1.00 0.00 C ATOM 674 CG2 ILE A 49 2.297 6.082 -14.716 1.00 0.00 C ATOM 675 CD1 ILE A 49 1.422 5.376 -11.687 1.00 0.00 C ATOM 0 H ILE A 49 4.368 4.565 -14.549 1.00 0.00 H new ATOM 0 HA ILE A 49 4.733 7.307 -14.312 1.00 0.00 H new ATOM 0 HB ILE A 49 2.673 7.276 -12.991 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.755 4.261 -12.925 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.547 5.190 -11.667 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.228 6.000 -14.522 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.479 6.909 -15.403 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.657 5.155 -15.161 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.285 4.549 -10.990 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.415 6.318 -11.138 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.611 5.375 -12.415 1.00 0.00 H new ATOM 687 N ALA A 50 5.994 5.666 -11.880 1.00 0.00 N ATOM 688 CA ALA A 50 6.725 5.751 -10.622 1.00 0.00 C ATOM 689 C ALA A 50 8.157 6.223 -10.851 1.00 0.00 C ATOM 690 O ALA A 50 9.032 6.009 -10.013 1.00 0.00 O ATOM 691 CB ALA A 50 6.718 4.404 -9.915 1.00 0.00 C ATOM 0 H ALA A 50 6.102 4.779 -12.371 1.00 0.00 H new ATOM 0 HA ALA A 50 6.225 6.484 -9.988 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.268 4.483 -8.977 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.690 4.106 -9.709 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.192 3.657 -10.551 1.00 0.00 H new ATOM 697 N ALA A 51 8.388 6.866 -11.990 1.00 0.00 N ATOM 698 CA ALA A 51 9.714 7.370 -12.328 1.00 0.00 C ATOM 699 C ALA A 51 10.343 8.096 -11.144 1.00 0.00 C ATOM 700 O ALA A 51 9.897 9.175 -10.757 1.00 0.00 O ATOM 701 CB ALA A 51 9.636 8.293 -13.535 1.00 0.00 C ATOM 0 H ALA A 51 7.674 7.051 -12.695 1.00 0.00 H new ATOM 0 HA ALA A 51 10.347 6.518 -12.576 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.633 8.662 -13.776 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.236 7.744 -14.388 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.983 9.135 -13.307 1.00 0.00 H new ATOM 707 N ASN A 52 11.382 7.496 -10.571 1.00 0.00 N ATOM 708 CA ASN A 52 12.072 8.085 -9.430 1.00 0.00 C ATOM 709 C ASN A 52 11.075 8.545 -8.370 1.00 0.00 C ATOM 710 O ASN A 52 11.263 9.581 -7.732 1.00 0.00 O ATOM 711 CB ASN A 52 12.933 9.266 -9.882 1.00 0.00 C ATOM 712 CG ASN A 52 12.099 10.438 -10.364 1.00 0.00 C ATOM 713 OD1 ASN A 52 11.515 11.169 -9.564 1.00 0.00 O ATOM 714 ND2 ASN A 52 12.041 10.623 -11.678 1.00 0.00 N ATOM 0 H ASN A 52 11.764 6.602 -10.879 1.00 0.00 H new ATOM 0 HA ASN A 52 12.715 7.321 -8.992 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.565 9.589 -9.055 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.597 8.942 -10.683 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.496 11.396 -12.061 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.541 9.992 -12.304 1.00 0.00 H new ATOM 721 N THR A 53 10.013 7.765 -8.186 1.00 0.00 N ATOM 722 CA THR A 53 8.987 8.092 -7.205 1.00 0.00 C ATOM 723 C THR A 53 8.737 6.921 -6.261 1.00 0.00 C ATOM 724 O THR A 53 8.510 5.795 -6.702 1.00 0.00 O ATOM 725 CB THR A 53 7.661 8.479 -7.886 1.00 0.00 C ATOM 726 OG1 THR A 53 7.900 9.460 -8.902 1.00 0.00 O ATOM 727 CG2 THR A 53 6.669 9.025 -6.870 1.00 0.00 C ATOM 0 H THR A 53 9.842 6.903 -8.704 1.00 0.00 H new ATOM 0 HA THR A 53 9.356 8.944 -6.634 1.00 0.00 H new ATOM 0 HB THR A 53 7.236 7.583 -8.339 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.541 9.107 -9.553 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.740 9.291 -7.375 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.466 8.266 -6.115 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.088 9.910 -6.391 1.00 0.00 H new ATOM 735 N GLN A 54 8.779 7.195 -4.961 1.00 0.00 N ATOM 736 CA GLN A 54 8.557 6.163 -3.955 1.00 0.00 C ATOM 737 C GLN A 54 7.219 6.367 -3.252 1.00 0.00 C ATOM 738 O GLN A 54 7.026 7.349 -2.535 1.00 0.00 O ATOM 739 CB GLN A 54 9.691 6.168 -2.930 1.00 0.00 C ATOM 740 CG GLN A 54 11.074 6.054 -3.551 1.00 0.00 C ATOM 741 CD GLN A 54 12.185 6.341 -2.560 1.00 0.00 C ATOM 742 OE1 GLN A 54 11.949 6.431 -1.355 1.00 0.00 O ATOM 743 NE2 GLN A 54 13.405 6.487 -3.064 1.00 0.00 N ATOM 0 H GLN A 54 8.965 8.123 -4.580 1.00 0.00 H new ATOM 0 HA GLN A 54 8.538 5.197 -4.460 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.638 7.088 -2.347 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.545 5.341 -2.235 1.00 0.00 H new ATOM 0 HG2 GLN A 54 11.204 5.051 -3.956 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.151 6.748 -4.388 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.555 6.404 -4.070 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.192 6.682 -2.446 1.00 0.00 H new ATOM 752 N PHE A 55 6.296 5.434 -3.464 1.00 0.00 N ATOM 753 CA PHE A 55 4.975 5.512 -2.851 1.00 0.00 C ATOM 754 C PHE A 55 4.613 4.196 -2.170 1.00 0.00 C ATOM 755 O PHE A 55 5.240 3.165 -2.414 1.00 0.00 O ATOM 756 CB PHE A 55 3.922 5.861 -3.904 1.00 0.00 C ATOM 757 CG PHE A 55 3.838 4.863 -5.023 1.00 0.00 C ATOM 758 CD1 PHE A 55 4.883 4.721 -5.922 1.00 0.00 C ATOM 759 CD2 PHE A 55 2.715 4.065 -5.176 1.00 0.00 C ATOM 760 CE1 PHE A 55 4.809 3.803 -6.953 1.00 0.00 C ATOM 761 CE2 PHE A 55 2.635 3.146 -6.204 1.00 0.00 C ATOM 762 CZ PHE A 55 3.684 3.014 -7.093 1.00 0.00 C ATOM 0 H PHE A 55 6.439 4.615 -4.056 1.00 0.00 H new ATOM 0 HA PHE A 55 4.998 6.297 -2.095 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.948 5.936 -3.421 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.148 6.843 -4.320 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.765 5.335 -5.816 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.893 4.163 -4.483 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.630 3.703 -7.648 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.754 2.531 -6.313 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.625 2.295 -7.896 1.00 0.00 H new ATOM 772 N TRP A 56 3.598 4.240 -1.315 1.00 0.00 N ATOM 773 CA TRP A 56 3.152 3.051 -0.597 1.00 0.00 C ATOM 774 C TRP A 56 2.303 2.159 -1.496 1.00 0.00 C ATOM 775 O TRP A 56 1.795 2.604 -2.525 1.00 0.00 O ATOM 776 CB TRP A 56 2.355 3.450 0.646 1.00 0.00 C ATOM 777 CG TRP A 56 3.189 4.115 1.698 1.00 0.00 C ATOM 778 CD1 TRP A 56 3.080 5.404 2.137 1.00 0.00 C ATOM 779 CD2 TRP A 56 4.261 3.526 2.442 1.00 0.00 C ATOM 780 NE1 TRP A 56 4.020 5.651 3.109 1.00 0.00 N ATOM 781 CE2 TRP A 56 4.756 4.515 3.315 1.00 0.00 C ATOM 782 CE3 TRP A 56 4.850 2.259 2.457 1.00 0.00 C ATOM 783 CZ2 TRP A 56 5.812 4.274 4.190 1.00 0.00 C ATOM 784 CZ3 TRP A 56 5.898 2.021 3.326 1.00 0.00 C ATOM 785 CH2 TRP A 56 6.369 3.024 4.184 1.00 0.00 C ATOM 0 H TRP A 56 3.068 5.085 -1.102 1.00 0.00 H new ATOM 0 HA TRP A 56 4.034 2.490 -0.289 1.00 0.00 H new ATOM 0 HB2 TRP A 56 1.550 4.123 0.352 1.00 0.00 H new ATOM 0 HB3 TRP A 56 1.888 2.561 1.071 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.361 6.123 1.774 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.148 6.537 3.598 1.00 0.00 H new ATOM 0 HE3 TRP A 56 4.492 1.479 1.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.179 5.046 4.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.362 1.046 3.344 1.00 0.00 H new ATOM 0 HH2 TRP A 56 7.188 2.806 4.854 1.00 0.00 H new ATOM 796 N ILE A 57 2.153 0.899 -1.100 1.00 0.00 N ATOM 797 CA ILE A 57 1.364 -0.054 -1.870 1.00 0.00 C ATOM 798 C ILE A 57 0.455 -0.876 -0.963 1.00 0.00 C ATOM 799 O ILE A 57 0.532 -0.780 0.261 1.00 0.00 O ATOM 800 CB ILE A 57 2.264 -1.008 -2.677 1.00 0.00 C ATOM 801 CG1 ILE A 57 3.255 -1.715 -1.751 1.00 0.00 C ATOM 802 CG2 ILE A 57 3.001 -0.245 -3.768 1.00 0.00 C ATOM 803 CD1 ILE A 57 4.184 -2.666 -2.472 1.00 0.00 C ATOM 0 H ILE A 57 2.567 0.515 -0.251 1.00 0.00 H new ATOM 0 HA ILE A 57 0.753 0.528 -2.561 1.00 0.00 H new ATOM 0 HB ILE A 57 1.636 -1.763 -3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.850 -0.966 -1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.700 -2.267 -0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.633 -0.933 -4.330 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.278 0.216 -4.441 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.620 0.529 -3.315 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.858 -3.131 -1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.598 -3.438 -2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.766 -2.116 -3.212 1.00 0.00 H new ATOM 815 N GLY A 58 -0.405 -1.687 -1.572 1.00 0.00 N ATOM 816 CA GLY A 58 -1.315 -2.516 -0.804 1.00 0.00 C ATOM 817 C GLY A 58 -0.590 -3.561 0.022 1.00 0.00 C ATOM 818 O GLY A 58 -1.157 -4.124 0.959 1.00 0.00 O ATOM 0 H GLY A 58 -0.487 -1.784 -2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.909 -1.883 -0.144 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.010 -3.011 -1.482 1.00 0.00 H new ATOM 822 N LEU A 59 0.665 -3.822 -0.327 1.00 0.00 N ATOM 823 CA LEU A 59 1.468 -4.808 0.387 1.00 0.00 C ATOM 824 C LEU A 59 1.866 -4.291 1.766 1.00 0.00 C ATOM 825 O LEU A 59 2.452 -3.216 1.892 1.00 0.00 O ATOM 826 CB LEU A 59 2.720 -5.157 -0.420 1.00 0.00 C ATOM 827 CG LEU A 59 3.430 -6.454 -0.030 1.00 0.00 C ATOM 828 CD1 LEU A 59 2.476 -7.634 -0.124 1.00 0.00 C ATOM 829 CD2 LEU A 59 4.650 -6.679 -0.911 1.00 0.00 C ATOM 0 H LEU A 59 1.148 -3.365 -1.100 1.00 0.00 H new ATOM 0 HA LEU A 59 0.864 -5.706 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.444 -5.220 -1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.430 -4.335 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 59 3.765 -6.366 1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.999 -8.548 0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.634 -7.476 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.110 -7.725 -1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.143 -7.606 -0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.339 -6.746 -1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.343 -5.846 -0.792 1.00 0.00 H new ATOM 841 N PHE A 60 1.544 -5.064 2.798 1.00 0.00 N ATOM 842 CA PHE A 60 1.869 -4.685 4.168 1.00 0.00 C ATOM 843 C PHE A 60 1.958 -5.915 5.066 1.00 0.00 C ATOM 844 O PHE A 60 1.162 -6.846 4.944 1.00 0.00 O ATOM 845 CB PHE A 60 0.818 -3.715 4.714 1.00 0.00 C ATOM 846 CG PHE A 60 -0.532 -4.343 4.910 1.00 0.00 C ATOM 847 CD1 PHE A 60 -0.732 -5.293 5.899 1.00 0.00 C ATOM 848 CD2 PHE A 60 -1.601 -3.983 4.106 1.00 0.00 C ATOM 849 CE1 PHE A 60 -1.974 -5.872 6.081 1.00 0.00 C ATOM 850 CE2 PHE A 60 -2.845 -4.559 4.283 1.00 0.00 C ATOM 851 CZ PHE A 60 -3.032 -5.504 5.273 1.00 0.00 C ATOM 0 H PHE A 60 1.058 -5.957 2.711 1.00 0.00 H new ATOM 0 HA PHE A 60 2.841 -4.191 4.161 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.165 -3.314 5.666 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.722 -2.872 4.029 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.091 -5.584 6.534 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.461 -3.243 3.332 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.117 -6.612 6.855 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.670 -4.271 3.648 1.00 0.00 H new ATOM 0 HZ PHE A 60 -4.003 -5.954 5.415 1.00 0.00 H new ATOM 861 N LYS A 61 2.933 -5.911 5.969 1.00 0.00 N ATOM 862 CA LYS A 61 3.128 -7.025 6.890 1.00 0.00 C ATOM 863 C LYS A 61 2.041 -7.043 7.960 1.00 0.00 C ATOM 864 O LYS A 61 1.580 -5.994 8.407 1.00 0.00 O ATOM 865 CB LYS A 61 4.506 -6.934 7.549 1.00 0.00 C ATOM 866 CG LYS A 61 4.840 -8.127 8.427 1.00 0.00 C ATOM 867 CD LYS A 61 6.339 -8.259 8.642 1.00 0.00 C ATOM 868 CE LYS A 61 6.990 -9.077 7.537 1.00 0.00 C ATOM 869 NZ LYS A 61 8.438 -8.761 7.393 1.00 0.00 N ATOM 0 H LYS A 61 3.601 -5.148 6.083 1.00 0.00 H new ATOM 0 HA LYS A 61 3.066 -7.951 6.319 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.265 -6.841 6.773 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.553 -6.026 8.151 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.341 -8.022 9.390 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.456 -9.037 7.967 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.791 -7.268 8.677 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.529 -8.731 9.606 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.870 -10.139 7.752 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.480 -8.883 6.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.619 -8.389 6.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.710 -8.048 8.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.998 -9.625 7.539 1.00 0.00 H new ATOM 883 N ASN A 62 1.638 -8.242 8.368 1.00 0.00 N ATOM 884 CA ASN A 62 0.606 -8.396 9.386 1.00 0.00 C ATOM 885 C ASN A 62 1.215 -8.824 10.718 1.00 0.00 C ATOM 886 O ASN A 62 2.382 -9.210 10.782 1.00 0.00 O ATOM 887 CB ASN A 62 -0.436 -9.422 8.936 1.00 0.00 C ATOM 888 CG ASN A 62 -1.794 -9.183 9.568 1.00 0.00 C ATOM 889 OD1 ASN A 62 -1.922 -9.142 10.792 1.00 0.00 O ATOM 890 ND2 ASN A 62 -2.815 -9.025 8.734 1.00 0.00 N ATOM 0 H ASN A 62 2.011 -9.121 8.009 1.00 0.00 H new ATOM 0 HA ASN A 62 0.119 -7.430 9.523 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.532 -9.386 7.851 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.090 -10.423 9.192 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.753 -8.862 9.101 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.662 -9.067 7.726 1.00 0.00 H new ATOM 897 N SER A 63 0.416 -8.755 11.778 1.00 0.00 N ATOM 898 CA SER A 63 0.877 -9.132 13.109 1.00 0.00 C ATOM 899 C SER A 63 1.586 -10.483 13.075 1.00 0.00 C ATOM 900 O SER A 63 2.715 -10.616 13.548 1.00 0.00 O ATOM 901 CB SER A 63 -0.301 -9.186 14.084 1.00 0.00 C ATOM 902 OG SER A 63 -0.675 -7.885 14.502 1.00 0.00 O ATOM 0 H SER A 63 -0.554 -8.441 11.741 1.00 0.00 H new ATOM 0 HA SER A 63 1.586 -8.377 13.449 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.150 -9.677 13.607 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.032 -9.787 14.952 1.00 0.00 H new ATOM 0 HG SER A 63 -1.431 -7.946 15.123 1.00 0.00 H new ATOM 908 N ASP A 64 0.915 -11.482 12.513 1.00 0.00 N ATOM 909 CA ASP A 64 1.479 -12.823 12.416 1.00 0.00 C ATOM 910 C ASP A 64 2.922 -12.772 11.923 1.00 0.00 C ATOM 911 O ASP A 64 3.815 -13.369 12.523 1.00 0.00 O ATOM 912 CB ASP A 64 0.636 -13.687 11.476 1.00 0.00 C ATOM 913 CG ASP A 64 -0.803 -13.808 11.935 1.00 0.00 C ATOM 914 OD1 ASP A 64 -1.023 -14.071 13.136 1.00 0.00 O ATOM 915 OD2 ASP A 64 -1.711 -13.639 11.094 1.00 0.00 O ATOM 0 H ASP A 64 -0.021 -11.389 12.118 1.00 0.00 H new ATOM 0 HA ASP A 64 1.470 -13.267 13.411 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.660 -13.258 10.474 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.077 -14.681 11.408 1.00 0.00 H new ATOM 920 N GLY A 65 3.141 -12.054 10.826 1.00 0.00 N ATOM 921 CA GLY A 65 4.477 -11.938 10.270 1.00 0.00 C ATOM 922 C GLY A 65 4.492 -12.082 8.761 1.00 0.00 C ATOM 923 O GLY A 65 5.545 -11.979 8.132 1.00 0.00 O ATOM 0 H GLY A 65 2.418 -11.551 10.312 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.898 -10.971 10.544 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.118 -12.701 10.711 1.00 0.00 H new ATOM 927 N GLN A 66 3.321 -12.322 8.180 1.00 0.00 N ATOM 928 CA GLN A 66 3.204 -12.482 6.735 1.00 0.00 C ATOM 929 C GLN A 66 2.687 -11.203 6.086 1.00 0.00 C ATOM 930 O GLN A 66 2.075 -10.363 6.746 1.00 0.00 O ATOM 931 CB GLN A 66 2.273 -13.649 6.404 1.00 0.00 C ATOM 932 CG GLN A 66 2.629 -14.937 7.129 1.00 0.00 C ATOM 933 CD GLN A 66 2.191 -16.174 6.372 1.00 0.00 C ATOM 934 OE1 GLN A 66 1.230 -16.842 6.754 1.00 0.00 O ATOM 935 NE2 GLN A 66 2.895 -16.487 5.290 1.00 0.00 N ATOM 0 H GLN A 66 2.440 -12.410 8.687 1.00 0.00 H new ATOM 0 HA GLN A 66 4.196 -12.694 6.336 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.250 -13.370 6.658 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.297 -13.828 5.329 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.707 -14.975 7.286 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.163 -14.935 8.114 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.684 -15.905 5.009 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.646 -17.309 4.740 1.00 0.00 H new ATOM 944 N PHE A 67 2.936 -11.061 4.788 1.00 0.00 N ATOM 945 CA PHE A 67 2.497 -9.883 4.049 1.00 0.00 C ATOM 946 C PHE A 67 1.091 -10.085 3.490 1.00 0.00 C ATOM 947 O PHE A 67 0.700 -11.203 3.152 1.00 0.00 O ATOM 948 CB PHE A 67 3.471 -9.577 2.910 1.00 0.00 C ATOM 949 CG PHE A 67 4.799 -9.056 3.381 1.00 0.00 C ATOM 950 CD1 PHE A 67 4.934 -7.742 3.800 1.00 0.00 C ATOM 951 CD2 PHE A 67 5.912 -9.881 3.406 1.00 0.00 C ATOM 952 CE1 PHE A 67 6.155 -7.260 4.233 1.00 0.00 C ATOM 953 CE2 PHE A 67 7.135 -9.404 3.839 1.00 0.00 C ATOM 954 CZ PHE A 67 7.257 -8.093 4.253 1.00 0.00 C ATOM 0 H PHE A 67 3.440 -11.747 4.226 1.00 0.00 H new ATOM 0 HA PHE A 67 2.478 -9.039 4.738 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.632 -10.484 2.326 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.018 -8.844 2.242 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.075 -7.087 3.788 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.823 -10.908 3.084 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.247 -6.233 4.555 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.995 -10.057 3.853 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.212 -7.719 4.592 1.00 0.00 H new ATOM 964 N TYR A 68 0.336 -8.996 3.397 1.00 0.00 N ATOM 965 CA TYR A 68 -1.027 -9.053 2.883 1.00 0.00 C ATOM 966 C TYR A 68 -1.301 -7.889 1.936 1.00 0.00 C ATOM 967 O TYR A 68 -0.437 -7.042 1.710 1.00 0.00 O ATOM 968 CB TYR A 68 -2.031 -9.033 4.037 1.00 0.00 C ATOM 969 CG TYR A 68 -1.902 -10.214 4.972 1.00 0.00 C ATOM 970 CD1 TYR A 68 -0.746 -10.412 5.718 1.00 0.00 C ATOM 971 CD2 TYR A 68 -2.937 -11.131 5.112 1.00 0.00 C ATOM 972 CE1 TYR A 68 -0.624 -11.490 6.573 1.00 0.00 C ATOM 973 CE2 TYR A 68 -2.824 -12.211 5.966 1.00 0.00 C ATOM 974 CZ TYR A 68 -1.665 -12.386 6.694 1.00 0.00 C ATOM 975 OH TYR A 68 -1.548 -13.461 7.546 1.00 0.00 O ATOM 0 H TYR A 68 0.645 -8.063 3.671 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.140 -9.984 2.328 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.899 -8.113 4.607 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.041 -9.012 3.628 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.071 -9.711 5.628 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.845 -10.997 4.543 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.282 -11.630 7.144 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.638 -12.914 6.063 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.370 -13.994 7.515 1.00 0.00 H new ATOM 985 N TRP A 69 -2.509 -7.855 1.385 1.00 0.00 N ATOM 986 CA TRP A 69 -2.898 -6.794 0.462 1.00 0.00 C ATOM 987 C TRP A 69 -4.066 -5.989 1.020 1.00 0.00 C ATOM 988 O TRP A 69 -4.978 -6.544 1.634 1.00 0.00 O ATOM 989 CB TRP A 69 -3.274 -7.386 -0.897 1.00 0.00 C ATOM 990 CG TRP A 69 -2.123 -8.043 -1.597 1.00 0.00 C ATOM 991 CD1 TRP A 69 -1.879 -9.384 -1.693 1.00 0.00 C ATOM 992 CD2 TRP A 69 -1.059 -7.389 -2.298 1.00 0.00 C ATOM 993 NE1 TRP A 69 -0.728 -9.602 -2.411 1.00 0.00 N ATOM 994 CE2 TRP A 69 -0.207 -8.394 -2.793 1.00 0.00 C ATOM 995 CE3 TRP A 69 -0.746 -6.052 -2.556 1.00 0.00 C ATOM 996 CZ2 TRP A 69 0.938 -8.103 -3.530 1.00 0.00 C ATOM 997 CZ3 TRP A 69 0.391 -5.764 -3.287 1.00 0.00 C ATOM 998 CH2 TRP A 69 1.221 -6.785 -3.768 1.00 0.00 C ATOM 0 H TRP A 69 -3.236 -8.549 1.561 1.00 0.00 H new ATOM 0 HA TRP A 69 -2.047 -6.125 0.336 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -4.071 -8.117 -0.759 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -3.673 -6.595 -1.532 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -2.500 -10.159 -1.267 1.00 0.00 H new ATOM 0 HE1 TRP A 69 -0.327 -10.515 -2.625 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.381 -5.258 -2.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.580 -8.889 -3.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 0.644 -4.734 -3.491 1.00 0.00 H new ATOM 0 HH2 TRP A 69 2.101 -6.527 -4.338 1.00 0.00 H new ATOM 1009 N ASP A 70 -4.033 -4.679 0.804 1.00 0.00 N ATOM 1010 CA ASP A 70 -5.090 -3.797 1.284 1.00 0.00 C ATOM 1011 C ASP A 70 -6.346 -3.939 0.430 1.00 0.00 C ATOM 1012 O ASP A 70 -6.316 -3.710 -0.779 1.00 0.00 O ATOM 1013 CB ASP A 70 -4.615 -2.343 1.275 1.00 0.00 C ATOM 1014 CG ASP A 70 -3.915 -1.955 2.563 1.00 0.00 C ATOM 1015 OD1 ASP A 70 -4.499 -2.175 3.645 1.00 0.00 O ATOM 1016 OD2 ASP A 70 -2.784 -1.432 2.489 1.00 0.00 O ATOM 0 H ASP A 70 -3.285 -4.204 0.299 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.332 -4.086 2.307 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.936 -2.191 0.436 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.470 -1.685 1.117 1.00 0.00 H new ATOM 1021 N ARG A 71 -7.449 -4.321 1.067 1.00 0.00 N ATOM 1022 CA ARG A 71 -8.715 -4.496 0.366 1.00 0.00 C ATOM 1023 C ARG A 71 -9.770 -3.533 0.901 1.00 0.00 C ATOM 1024 O ARG A 71 -10.965 -3.826 0.870 1.00 0.00 O ATOM 1025 CB ARG A 71 -9.205 -5.938 0.508 1.00 0.00 C ATOM 1026 CG ARG A 71 -8.514 -6.912 -0.432 1.00 0.00 C ATOM 1027 CD ARG A 71 -9.089 -6.833 -1.838 1.00 0.00 C ATOM 1028 NE ARG A 71 -8.701 -7.980 -2.654 1.00 0.00 N ATOM 1029 CZ ARG A 71 -8.718 -7.976 -3.982 1.00 0.00 C ATOM 1030 NH1 ARG A 71 -9.100 -6.891 -4.640 1.00 0.00 N ATOM 1031 NH2 ARG A 71 -8.350 -9.060 -4.654 1.00 0.00 N ATOM 0 H ARG A 71 -7.491 -4.515 2.067 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.551 -4.278 -0.689 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -9.049 -6.266 1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.279 -5.968 0.323 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.446 -6.695 -0.462 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.622 -7.927 -0.050 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.176 -6.779 -1.782 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.749 -5.915 -2.318 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.401 -8.831 -2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.382 -6.056 -4.127 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.112 -6.891 -5.660 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.054 -9.896 -4.150 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.363 -9.057 -5.674 1.00 0.00 H new ATOM 1045 N GLY A 72 -9.320 -2.382 1.392 1.00 0.00 N ATOM 1046 CA GLY A 72 -10.239 -1.394 1.927 1.00 0.00 C ATOM 1047 C GLY A 72 -10.241 -1.366 3.442 1.00 0.00 C ATOM 1048 O GLY A 72 -9.350 -1.925 4.081 1.00 0.00 O ATOM 0 H GLY A 72 -8.336 -2.116 1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.969 -0.408 1.549 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -11.246 -1.608 1.569 1.00 0.00 H new ATOM 1052 N GLN A 73 -11.244 -0.712 4.019 1.00 0.00 N ATOM 1053 CA GLN A 73 -11.357 -0.611 5.469 1.00 0.00 C ATOM 1054 C GLN A 73 -12.324 -1.656 6.014 1.00 0.00 C ATOM 1055 O GLN A 73 -13.486 -1.711 5.613 1.00 0.00 O ATOM 1056 CB GLN A 73 -11.822 0.790 5.870 1.00 0.00 C ATOM 1057 CG GLN A 73 -11.560 1.124 7.329 1.00 0.00 C ATOM 1058 CD GLN A 73 -12.503 2.184 7.864 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -12.923 3.083 7.134 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -12.842 2.085 9.144 1.00 0.00 N ATOM 0 H GLN A 73 -11.990 -0.244 3.504 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.372 -0.795 5.898 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.318 1.525 5.242 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.890 0.880 5.672 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.659 0.219 7.928 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.532 1.469 7.440 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.471 1.324 9.713 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -13.474 2.770 9.559 1.00 0.00 H new ATOM 1069 N GLY A 74 -11.836 -2.486 6.931 1.00 0.00 N ATOM 1070 CA GLY A 74 -12.671 -3.520 7.516 1.00 0.00 C ATOM 1071 C GLY A 74 -12.657 -4.802 6.708 1.00 0.00 C ATOM 1072 O GLY A 74 -12.822 -5.892 7.257 1.00 0.00 O ATOM 0 H GLY A 74 -10.878 -2.461 7.279 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.329 -3.729 8.529 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.695 -3.155 7.594 1.00 0.00 H new ATOM 1076 N ILE A 75 -12.461 -4.673 5.400 1.00 0.00 N ATOM 1077 CA ILE A 75 -12.428 -5.831 4.515 1.00 0.00 C ATOM 1078 C ILE A 75 -11.229 -6.722 4.821 1.00 0.00 C ATOM 1079 O ILE A 75 -10.175 -6.241 5.236 1.00 0.00 O ATOM 1080 CB ILE A 75 -12.374 -5.408 3.035 1.00 0.00 C ATOM 1081 CG1 ILE A 75 -13.515 -4.439 2.718 1.00 0.00 C ATOM 1082 CG2 ILE A 75 -12.443 -6.630 2.132 1.00 0.00 C ATOM 1083 CD1 ILE A 75 -14.858 -5.117 2.561 1.00 0.00 C ATOM 0 H ILE A 75 -12.323 -3.778 4.930 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.348 -6.389 4.691 1.00 0.00 H new ATOM 0 HB ILE A 75 -11.428 -4.899 2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.582 -3.697 3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -13.279 -3.901 1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -12.404 -6.315 1.089 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.600 -7.287 2.344 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.375 -7.165 2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -15.619 -4.369 2.338 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -14.808 -5.839 1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -15.116 -5.632 3.486 1.00 0.00 H new ATOM 1095 N ASN A 76 -11.397 -8.024 4.613 1.00 0.00 N ATOM 1096 CA ASN A 76 -10.327 -8.983 4.865 1.00 0.00 C ATOM 1097 C ASN A 76 -9.226 -8.858 3.817 1.00 0.00 C ATOM 1098 O ASN A 76 -9.443 -9.067 2.624 1.00 0.00 O ATOM 1099 CB ASN A 76 -10.883 -10.409 4.869 1.00 0.00 C ATOM 1100 CG ASN A 76 -11.474 -10.803 3.529 1.00 0.00 C ATOM 1101 OD1 ASN A 76 -11.916 -9.950 2.758 1.00 0.00 O ATOM 1102 ND2 ASN A 76 -11.486 -12.100 3.246 1.00 0.00 N ATOM 0 H ASN A 76 -12.264 -8.439 4.271 1.00 0.00 H new ATOM 0 HA ASN A 76 -9.899 -8.764 5.843 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.087 -11.106 5.131 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -11.648 -10.495 5.640 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.872 -12.425 2.360 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.109 -12.771 3.915 1.00 0.00 H new ATOM 1109 N PRO A 77 -8.013 -8.508 4.272 1.00 0.00 N ATOM 1110 CA PRO A 77 -6.853 -8.348 3.391 1.00 0.00 C ATOM 1111 C PRO A 77 -6.365 -9.678 2.827 1.00 0.00 C ATOM 1112 O PRO A 77 -6.286 -10.676 3.544 1.00 0.00 O ATOM 1113 CB PRO A 77 -5.792 -7.736 4.309 1.00 0.00 C ATOM 1114 CG PRO A 77 -6.180 -8.172 5.680 1.00 0.00 C ATOM 1115 CD PRO A 77 -7.682 -8.243 5.682 1.00 0.00 C ATOM 0 HA PRO A 77 -7.086 -7.737 2.519 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.793 -8.088 4.049 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.778 -6.649 4.228 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.743 -9.141 5.920 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.822 -7.467 6.430 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.046 -9.035 6.336 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.128 -7.312 6.031 1.00 0.00 H new ATOM 1123 N ASP A 78 -6.039 -9.686 1.539 1.00 0.00 N ATOM 1124 CA ASP A 78 -5.558 -10.894 0.879 1.00 0.00 C ATOM 1125 C ASP A 78 -4.069 -11.098 1.139 1.00 0.00 C ATOM 1126 O ASP A 78 -3.246 -10.243 0.806 1.00 0.00 O ATOM 1127 CB ASP A 78 -5.820 -10.817 -0.626 1.00 0.00 C ATOM 1128 CG ASP A 78 -6.067 -12.181 -1.240 1.00 0.00 C ATOM 1129 OD1 ASP A 78 -7.068 -12.828 -0.867 1.00 0.00 O ATOM 1130 OD2 ASP A 78 -5.259 -12.601 -2.095 1.00 0.00 O ATOM 0 H ASP A 78 -6.099 -8.869 0.931 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.101 -11.745 1.291 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.683 -10.177 -0.810 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.967 -10.350 -1.117 1.00 0.00 H new ATOM 1135 N LEU A 79 -3.728 -12.235 1.736 1.00 0.00 N ATOM 1136 CA LEU A 79 -2.337 -12.551 2.042 1.00 0.00 C ATOM 1137 C LEU A 79 -1.506 -12.641 0.767 1.00 0.00 C ATOM 1138 O LEU A 79 -2.036 -12.893 -0.316 1.00 0.00 O ATOM 1139 CB LEU A 79 -2.252 -13.870 2.814 1.00 0.00 C ATOM 1140 CG LEU A 79 -0.861 -14.269 3.308 1.00 0.00 C ATOM 1141 CD1 LEU A 79 -0.961 -15.045 4.612 1.00 0.00 C ATOM 1142 CD2 LEU A 79 -0.134 -15.088 2.252 1.00 0.00 C ATOM 0 H LEU A 79 -4.395 -12.953 2.018 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.935 -11.748 2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.918 -13.808 3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.631 -14.667 2.175 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.287 -13.361 3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.038 -15.321 4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.441 -14.424 5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.552 -15.947 4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.854 -15.363 2.621 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.705 -15.991 2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.030 -14.498 1.342 1.00 0.00 H new ATOM 1154 N LEU A 80 -0.201 -12.434 0.902 1.00 0.00 N ATOM 1155 CA LEU A 80 0.706 -12.494 -0.239 1.00 0.00 C ATOM 1156 C LEU A 80 1.245 -13.907 -0.434 1.00 0.00 C ATOM 1157 O LEU A 80 2.218 -14.304 0.206 1.00 0.00 O ATOM 1158 CB LEU A 80 1.866 -11.515 -0.046 1.00 0.00 C ATOM 1159 CG LEU A 80 2.958 -11.549 -1.116 1.00 0.00 C ATOM 1160 CD1 LEU A 80 2.568 -10.681 -2.303 1.00 0.00 C ATOM 1161 CD2 LEU A 80 4.288 -11.094 -0.534 1.00 0.00 C ATOM 0 H LEU A 80 0.253 -12.223 1.791 1.00 0.00 H new ATOM 0 HA LEU A 80 0.146 -12.213 -1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.459 -10.505 -0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.327 -11.715 0.921 1.00 0.00 H new ATOM 0 HG LEU A 80 3.069 -12.576 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.357 -10.717 -3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.638 -11.051 -2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.430 -9.652 -1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.054 -11.124 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.192 -10.075 -0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.573 -11.756 0.284 1.00 0.00 H new ATOM 1173 N ASN A 81 0.607 -14.661 -1.323 1.00 0.00 N ATOM 1174 CA ASN A 81 1.024 -16.030 -1.603 1.00 0.00 C ATOM 1175 C ASN A 81 1.270 -16.229 -3.095 1.00 0.00 C ATOM 1176 O ASN A 81 1.280 -17.357 -3.587 1.00 0.00 O ATOM 1177 CB ASN A 81 -0.037 -17.019 -1.114 1.00 0.00 C ATOM 1178 CG ASN A 81 0.543 -18.387 -0.812 1.00 0.00 C ATOM 1179 OD1 ASN A 81 1.118 -19.036 -1.685 1.00 0.00 O ATOM 1180 ND2 ASN A 81 0.394 -18.832 0.431 1.00 0.00 N ATOM 0 H ASN A 81 -0.200 -14.347 -1.862 1.00 0.00 H new ATOM 0 HA ASN A 81 1.957 -16.215 -1.071 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -0.513 -16.623 -0.217 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.815 -17.116 -1.871 1.00 0.00 H new ATOM 0 HD21 ASN A 81 0.764 -19.746 0.693 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.090 -18.260 1.123 1.00 0.00 H new ATOM 1187 N GLN A 82 1.469 -15.126 -3.809 1.00 0.00 N ATOM 1188 CA GLN A 82 1.716 -15.180 -5.245 1.00 0.00 C ATOM 1189 C GLN A 82 3.108 -15.731 -5.538 1.00 0.00 C ATOM 1190 O GLN A 82 4.071 -15.466 -4.819 1.00 0.00 O ATOM 1191 CB GLN A 82 1.565 -13.788 -5.862 1.00 0.00 C ATOM 1192 CG GLN A 82 2.482 -12.745 -5.243 1.00 0.00 C ATOM 1193 CD GLN A 82 2.046 -11.327 -5.554 1.00 0.00 C ATOM 1194 OE1 GLN A 82 0.885 -10.966 -5.362 1.00 0.00 O ATOM 1195 NE2 GLN A 82 2.978 -10.514 -6.036 1.00 0.00 N ATOM 0 H GLN A 82 1.464 -14.184 -3.417 1.00 0.00 H new ATOM 0 HA GLN A 82 0.980 -15.849 -5.690 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.768 -13.850 -6.931 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.531 -13.461 -5.752 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.507 -12.885 -4.162 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.498 -12.897 -5.608 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.928 -10.856 -6.179 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.744 -9.548 -6.263 1.00 0.00 H new ATOM 1204 N PRO A 83 3.218 -16.516 -6.620 1.00 0.00 N ATOM 1205 CA PRO A 83 4.487 -17.121 -7.033 1.00 0.00 C ATOM 1206 C PRO A 83 5.477 -16.088 -7.562 1.00 0.00 C ATOM 1207 O PRO A 83 6.690 -16.262 -7.447 1.00 0.00 O ATOM 1208 CB PRO A 83 4.075 -18.086 -8.147 1.00 0.00 C ATOM 1209 CG PRO A 83 2.808 -17.519 -8.689 1.00 0.00 C ATOM 1210 CD PRO A 83 2.111 -16.874 -7.523 1.00 0.00 C ATOM 0 HA PRO A 83 4.998 -17.604 -6.200 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.842 -18.151 -8.919 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.925 -19.095 -7.762 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.011 -16.791 -9.474 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.189 -18.300 -9.131 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.543 -15.996 -7.830 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.409 -17.558 -7.046 1.00 0.00 H new ATOM 1218 N ILE A 84 4.951 -15.014 -8.140 1.00 0.00 N ATOM 1219 CA ILE A 84 5.788 -13.953 -8.685 1.00 0.00 C ATOM 1220 C ILE A 84 5.889 -12.780 -7.716 1.00 0.00 C ATOM 1221 O ILE A 84 4.879 -12.287 -7.213 1.00 0.00 O ATOM 1222 CB ILE A 84 5.246 -13.444 -10.034 1.00 0.00 C ATOM 1223 CG1 ILE A 84 5.241 -14.575 -11.065 1.00 0.00 C ATOM 1224 CG2 ILE A 84 6.078 -12.271 -10.531 1.00 0.00 C ATOM 1225 CD1 ILE A 84 4.689 -14.162 -12.411 1.00 0.00 C ATOM 0 H ILE A 84 3.949 -14.856 -8.243 1.00 0.00 H new ATOM 0 HA ILE A 84 6.779 -14.381 -8.839 1.00 0.00 H new ATOM 0 HB ILE A 84 4.221 -13.102 -9.891 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.259 -14.941 -11.196 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.651 -15.406 -10.678 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.682 -11.923 -11.485 1.00 0.00 H new ATOM 0 HG22 ILE A 84 6.036 -11.461 -9.803 1.00 0.00 H new ATOM 0 HG23 ILE A 84 7.113 -12.588 -10.661 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.716 -15.013 -13.092 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.660 -13.823 -12.294 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.293 -13.352 -12.819 1.00 0.00 H new ATOM 1237 N THR A 85 7.115 -12.335 -7.459 1.00 0.00 N ATOM 1238 CA THR A 85 7.349 -11.219 -6.551 1.00 0.00 C ATOM 1239 C THR A 85 8.462 -10.314 -7.067 1.00 0.00 C ATOM 1240 O THR A 85 9.234 -10.702 -7.944 1.00 0.00 O ATOM 1241 CB THR A 85 7.717 -11.712 -5.138 1.00 0.00 C ATOM 1242 OG1 THR A 85 8.828 -12.613 -5.208 1.00 0.00 O ATOM 1243 CG2 THR A 85 6.534 -12.409 -4.483 1.00 0.00 C ATOM 0 H THR A 85 7.962 -12.731 -7.867 1.00 0.00 H new ATOM 0 HA THR A 85 6.419 -10.653 -6.500 1.00 0.00 H new ATOM 0 HB THR A 85 7.989 -10.846 -4.534 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.956 -13.042 -4.337 1.00 0.00 H new ATOM 0 HG21 THR A 85 6.818 -12.748 -3.487 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.699 -11.713 -4.405 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.237 -13.266 -5.087 1.00 0.00 H new ATOM 1251 N TYR A 86 8.539 -9.108 -6.517 1.00 0.00 N ATOM 1252 CA TYR A 86 9.557 -8.146 -6.923 1.00 0.00 C ATOM 1253 C TYR A 86 10.458 -7.777 -5.748 1.00 0.00 C ATOM 1254 O TYR A 86 11.290 -6.876 -5.849 1.00 0.00 O ATOM 1255 CB TYR A 86 8.901 -6.887 -7.492 1.00 0.00 C ATOM 1256 CG TYR A 86 7.945 -7.164 -8.630 1.00 0.00 C ATOM 1257 CD1 TYR A 86 8.402 -7.677 -9.838 1.00 0.00 C ATOM 1258 CD2 TYR A 86 6.585 -6.913 -8.498 1.00 0.00 C ATOM 1259 CE1 TYR A 86 7.532 -7.931 -10.881 1.00 0.00 C ATOM 1260 CE2 TYR A 86 5.708 -7.166 -9.535 1.00 0.00 C ATOM 1261 CZ TYR A 86 6.186 -7.674 -10.724 1.00 0.00 C ATOM 1262 OH TYR A 86 5.316 -7.926 -11.760 1.00 0.00 O ATOM 0 H TYR A 86 7.909 -8.773 -5.789 1.00 0.00 H new ATOM 0 HA TYR A 86 10.170 -8.609 -7.696 1.00 0.00 H new ATOM 0 HB2 TYR A 86 8.364 -6.375 -6.694 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.679 -6.207 -7.839 1.00 0.00 H new ATOM 0 HD1 TYR A 86 9.455 -7.881 -9.964 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.207 -6.513 -7.569 1.00 0.00 H new ATOM 0 HE1 TYR A 86 7.904 -8.328 -11.814 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.653 -6.967 -9.415 1.00 0.00 H new ATOM 0 HH TYR A 86 4.405 -7.692 -11.486 1.00 0.00 H new ATOM 1272 N TRP A 87 10.285 -8.481 -4.635 1.00 0.00 N ATOM 1273 CA TRP A 87 11.082 -8.229 -3.440 1.00 0.00 C ATOM 1274 C TRP A 87 12.520 -7.880 -3.809 1.00 0.00 C ATOM 1275 O TRP A 87 13.231 -8.688 -4.406 1.00 0.00 O ATOM 1276 CB TRP A 87 11.060 -9.451 -2.520 1.00 0.00 C ATOM 1277 CG TRP A 87 9.716 -9.713 -1.913 1.00 0.00 C ATOM 1278 CD1 TRP A 87 8.884 -10.762 -2.184 1.00 0.00 C ATOM 1279 CD2 TRP A 87 9.046 -8.911 -0.934 1.00 0.00 C ATOM 1280 NE1 TRP A 87 7.739 -10.661 -1.432 1.00 0.00 N ATOM 1281 CE2 TRP A 87 7.814 -9.534 -0.657 1.00 0.00 C ATOM 1282 CE3 TRP A 87 9.369 -7.728 -0.264 1.00 0.00 C ATOM 1283 CZ2 TRP A 87 6.906 -9.012 0.261 1.00 0.00 C ATOM 1284 CZ3 TRP A 87 8.466 -7.211 0.646 1.00 0.00 C ATOM 1285 CH2 TRP A 87 7.247 -7.852 0.902 1.00 0.00 C ATOM 0 H TRP A 87 9.600 -9.230 -4.535 1.00 0.00 H new ATOM 0 HA TRP A 87 10.645 -7.380 -2.914 1.00 0.00 H new ATOM 0 HB2 TRP A 87 11.372 -10.329 -3.086 1.00 0.00 H new ATOM 0 HB3 TRP A 87 11.790 -9.310 -1.723 1.00 0.00 H new ATOM 0 HD1 TRP A 87 9.095 -11.555 -2.887 1.00 0.00 H new ATOM 0 HE1 TRP A 87 6.959 -11.319 -1.448 1.00 0.00 H new ATOM 0 HE3 TRP A 87 10.307 -7.227 -0.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 5.966 -9.505 0.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 8.705 -6.297 1.169 1.00 0.00 H new ATOM 0 HH2 TRP A 87 6.563 -7.422 1.619 1.00 0.00 H new ATOM 1296 N ALA A 88 12.943 -6.673 -3.449 1.00 0.00 N ATOM 1297 CA ALA A 88 14.297 -6.219 -3.740 1.00 0.00 C ATOM 1298 C ALA A 88 15.328 -7.256 -3.308 1.00 0.00 C ATOM 1299 O ALA A 88 14.985 -8.274 -2.708 1.00 0.00 O ATOM 1300 CB ALA A 88 14.566 -4.887 -3.055 1.00 0.00 C ATOM 0 H ALA A 88 12.367 -5.991 -2.955 1.00 0.00 H new ATOM 0 HA ALA A 88 14.385 -6.085 -4.818 1.00 0.00 H new ATOM 0 HB1 ALA A 88 15.581 -4.560 -3.281 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.856 -4.143 -3.416 1.00 0.00 H new ATOM 0 HB3 ALA A 88 14.454 -5.003 -1.977 1.00 0.00 H new ATOM 1306 N ASN A 89 16.593 -6.991 -3.620 1.00 0.00 N ATOM 1307 CA ASN A 89 17.674 -7.903 -3.265 1.00 0.00 C ATOM 1308 C ASN A 89 17.698 -8.160 -1.761 1.00 0.00 C ATOM 1309 O ASN A 89 17.868 -7.237 -0.966 1.00 0.00 O ATOM 1310 CB ASN A 89 19.020 -7.332 -3.717 1.00 0.00 C ATOM 1311 CG ASN A 89 20.164 -7.776 -2.827 1.00 0.00 C ATOM 1312 OD1 ASN A 89 20.134 -8.864 -2.253 1.00 0.00 O ATOM 1313 ND2 ASN A 89 21.182 -6.931 -2.707 1.00 0.00 N ATOM 0 H ASN A 89 16.894 -6.153 -4.117 1.00 0.00 H new ATOM 0 HA ASN A 89 17.498 -8.850 -3.775 1.00 0.00 H new ATOM 0 HB2 ASN A 89 19.218 -7.645 -4.742 1.00 0.00 H new ATOM 0 HB3 ASN A 89 18.967 -6.243 -3.720 1.00 0.00 H new ATOM 0 HD21 ASN A 89 21.980 -7.174 -2.121 1.00 0.00 H new ATOM 0 HD22 ASN A 89 21.165 -6.039 -3.201 1.00 0.00 H new ATOM 1320 N GLY A 90 17.526 -9.422 -1.379 1.00 0.00 N ATOM 1321 CA GLY A 90 17.532 -9.778 0.028 1.00 0.00 C ATOM 1322 C GLY A 90 16.177 -9.586 0.680 1.00 0.00 C ATOM 1323 O GLY A 90 15.933 -10.086 1.777 1.00 0.00 O ATOM 0 H GLY A 90 17.383 -10.204 -2.018 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.839 -10.818 0.135 1.00 0.00 H new ATOM 0 HA3 GLY A 90 18.272 -9.172 0.550 1.00 0.00 H new ATOM 1327 N GLU A 91 15.294 -8.857 0.004 1.00 0.00 N ATOM 1328 CA GLU A 91 13.958 -8.597 0.527 1.00 0.00 C ATOM 1329 C GLU A 91 13.068 -9.828 0.378 1.00 0.00 C ATOM 1330 O GLU A 91 13.284 -10.681 -0.483 1.00 0.00 O ATOM 1331 CB GLU A 91 13.326 -7.406 -0.196 1.00 0.00 C ATOM 1332 CG GLU A 91 13.897 -6.064 0.228 1.00 0.00 C ATOM 1333 CD GLU A 91 13.997 -5.921 1.734 1.00 0.00 C ATOM 1334 OE1 GLU A 91 12.977 -5.570 2.365 1.00 0.00 O ATOM 1335 OE2 GLU A 91 15.093 -6.161 2.282 1.00 0.00 O ATOM 0 H GLU A 91 15.480 -8.436 -0.906 1.00 0.00 H new ATOM 0 HA GLU A 91 14.049 -8.361 1.587 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.466 -7.528 -1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.252 -7.409 -0.012 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.887 -5.940 -0.211 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.270 -5.265 -0.168 1.00 0.00 H new ATOM 1342 N PRO A 92 12.042 -9.922 1.237 1.00 0.00 N ATOM 1343 CA PRO A 92 11.776 -8.913 2.266 1.00 0.00 C ATOM 1344 C PRO A 92 12.828 -8.918 3.370 1.00 0.00 C ATOM 1345 O PRO A 92 13.440 -9.948 3.652 1.00 0.00 O ATOM 1346 CB PRO A 92 10.413 -9.328 2.826 1.00 0.00 C ATOM 1347 CG PRO A 92 10.323 -10.791 2.559 1.00 0.00 C ATOM 1348 CD PRO A 92 11.064 -11.023 1.271 1.00 0.00 C ATOM 0 HA PRO A 92 11.796 -7.902 1.859 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.342 -9.115 3.893 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.603 -8.786 2.338 1.00 0.00 H new ATOM 0 HG2 PRO A 92 10.766 -11.364 3.373 1.00 0.00 H new ATOM 0 HG3 PRO A 92 9.284 -11.109 2.474 1.00 0.00 H new ATOM 0 HD2 PRO A 92 11.554 -11.996 1.259 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.395 -10.993 0.411 1.00 0.00 H new ATOM 1356 N SER A 93 13.034 -7.761 3.991 1.00 0.00 N ATOM 1357 CA SER A 93 14.015 -7.632 5.062 1.00 0.00 C ATOM 1358 C SER A 93 13.464 -8.184 6.373 1.00 0.00 C ATOM 1359 O SER A 93 12.260 -8.146 6.617 1.00 0.00 O ATOM 1360 CB SER A 93 14.415 -6.166 5.241 1.00 0.00 C ATOM 1361 OG SER A 93 15.741 -6.055 5.729 1.00 0.00 O ATOM 0 H SER A 93 12.535 -6.899 3.771 1.00 0.00 H new ATOM 0 HA SER A 93 14.896 -8.211 4.786 1.00 0.00 H new ATOM 0 HB2 SER A 93 14.330 -5.644 4.288 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.727 -5.680 5.933 1.00 0.00 H new ATOM 0 HG SER A 93 15.973 -5.109 5.833 1.00 0.00 H new ATOM 1367 N ASN A 94 14.358 -8.698 7.212 1.00 0.00 N ATOM 1368 CA ASN A 94 13.962 -9.260 8.499 1.00 0.00 C ATOM 1369 C ASN A 94 14.123 -8.231 9.614 1.00 0.00 C ATOM 1370 O ASN A 94 14.596 -8.551 10.704 1.00 0.00 O ATOM 1371 CB ASN A 94 14.796 -10.503 8.814 1.00 0.00 C ATOM 1372 CG ASN A 94 16.239 -10.166 9.137 1.00 0.00 C ATOM 1373 OD1 ASN A 94 16.689 -9.041 8.918 1.00 0.00 O ATOM 1374 ND2 ASN A 94 16.972 -11.141 9.660 1.00 0.00 N ATOM 0 H ASN A 94 15.360 -8.737 7.024 1.00 0.00 H new ATOM 0 HA ASN A 94 12.911 -9.542 8.437 1.00 0.00 H new ATOM 0 HB2 ASN A 94 14.352 -11.031 9.658 1.00 0.00 H new ATOM 0 HB3 ASN A 94 14.767 -11.182 7.962 1.00 0.00 H new ATOM 0 HD21 ASN A 94 17.950 -10.973 9.897 1.00 0.00 H new ATOM 0 HD22 ASN A 94 16.558 -12.058 9.825 1.00 0.00 H new ATOM 1381 N ASP A 95 13.724 -6.995 9.333 1.00 0.00 N ATOM 1382 CA ASP A 95 13.821 -5.919 10.312 1.00 0.00 C ATOM 1383 C ASP A 95 12.505 -5.748 11.064 1.00 0.00 C ATOM 1384 O ASP A 95 11.426 -5.698 10.473 1.00 0.00 O ATOM 1385 CB ASP A 95 14.205 -4.608 9.624 1.00 0.00 C ATOM 1386 CG ASP A 95 14.889 -3.638 10.567 1.00 0.00 C ATOM 1387 OD1 ASP A 95 14.241 -3.201 11.541 1.00 0.00 O ATOM 1388 OD2 ASP A 95 16.072 -3.315 10.331 1.00 0.00 O ATOM 0 H ASP A 95 13.330 -6.714 8.435 1.00 0.00 H new ATOM 0 HA ASP A 95 14.597 -6.183 11.031 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.867 -4.822 8.785 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.310 -4.141 9.213 1.00 0.00 H new ATOM 1393 N PRO A 96 12.593 -5.656 12.399 1.00 0.00 N ATOM 1394 CA PRO A 96 11.419 -5.489 13.261 1.00 0.00 C ATOM 1395 C PRO A 96 10.780 -4.113 13.110 1.00 0.00 C ATOM 1396 O PRO A 96 9.596 -3.931 13.395 1.00 0.00 O ATOM 1397 CB PRO A 96 11.986 -5.664 14.671 1.00 0.00 C ATOM 1398 CG PRO A 96 13.423 -5.288 14.551 1.00 0.00 C ATOM 1399 CD PRO A 96 13.847 -5.707 13.171 1.00 0.00 C ATOM 0 HA PRO A 96 10.628 -6.198 13.014 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.468 -5.026 15.388 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.873 -6.691 15.018 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.559 -4.216 14.692 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.022 -5.788 15.312 1.00 0.00 H new ATOM 0 HD2 PRO A 96 14.600 -5.034 12.760 1.00 0.00 H new ATOM 0 HD3 PRO A 96 14.279 -6.708 13.170 1.00 0.00 H new ATOM 1407 N THR A 97 11.572 -3.144 12.660 1.00 0.00 N ATOM 1408 CA THR A 97 11.084 -1.784 12.472 1.00 0.00 C ATOM 1409 C THR A 97 10.282 -1.660 11.181 1.00 0.00 C ATOM 1410 O THR A 97 9.200 -1.075 11.165 1.00 0.00 O ATOM 1411 CB THR A 97 12.243 -0.770 12.442 1.00 0.00 C ATOM 1412 OG1 THR A 97 12.988 -0.914 11.228 1.00 0.00 O ATOM 1413 CG2 THR A 97 13.166 -0.967 13.635 1.00 0.00 C ATOM 0 H THR A 97 12.554 -3.277 12.419 1.00 0.00 H new ATOM 0 HA THR A 97 10.437 -1.561 13.321 1.00 0.00 H new ATOM 0 HB THR A 97 11.820 0.233 12.492 1.00 0.00 H new ATOM 0 HG1 THR A 97 13.592 -1.682 11.304 1.00 0.00 H new ATOM 0 HG21 THR A 97 13.977 -0.240 13.592 1.00 0.00 H new ATOM 0 HG22 THR A 97 12.603 -0.828 14.558 1.00 0.00 H new ATOM 0 HG23 THR A 97 13.581 -1.975 13.611 1.00 0.00 H new ATOM 1421 N ARG A 98 10.820 -2.216 10.101 1.00 0.00 N ATOM 1422 CA ARG A 98 10.155 -2.168 8.804 1.00 0.00 C ATOM 1423 C ARG A 98 9.157 -3.313 8.663 1.00 0.00 C ATOM 1424 O ARG A 98 9.535 -4.484 8.685 1.00 0.00 O ATOM 1425 CB ARG A 98 11.185 -2.232 7.676 1.00 0.00 C ATOM 1426 CG ARG A 98 12.427 -1.395 7.936 1.00 0.00 C ATOM 1427 CD ARG A 98 13.598 -1.857 7.084 1.00 0.00 C ATOM 1428 NE ARG A 98 14.527 -0.768 6.794 1.00 0.00 N ATOM 1429 CZ ARG A 98 15.332 -0.227 7.701 1.00 0.00 C ATOM 1430 NH1 ARG A 98 15.323 -0.673 8.950 1.00 0.00 N ATOM 1431 NH2 ARG A 98 16.150 0.761 7.360 1.00 0.00 N ATOM 0 H ARG A 98 11.715 -2.705 10.098 1.00 0.00 H new ATOM 0 HA ARG A 98 9.612 -1.225 8.736 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.482 -3.270 7.525 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.718 -1.896 6.750 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.212 -0.348 7.724 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.696 -1.458 8.991 1.00 0.00 H new ATOM 0 HD2 ARG A 98 14.128 -2.658 7.600 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.224 -2.273 6.149 1.00 0.00 H new ATOM 0 HE ARG A 98 14.559 -0.403 5.842 1.00 0.00 H new ATOM 0 HH11 ARG A 98 14.697 -1.433 9.216 1.00 0.00 H new ATOM 0 HH12 ARG A 98 15.942 -0.256 9.645 1.00 0.00 H new ATOM 0 HH21 ARG A 98 16.161 1.106 6.400 1.00 0.00 H new ATOM 0 HH22 ARG A 98 16.768 1.176 8.058 1.00 0.00 H new ATOM 1445 N GLN A 99 7.882 -2.966 8.517 1.00 0.00 N ATOM 1446 CA GLN A 99 6.830 -3.966 8.373 1.00 0.00 C ATOM 1447 C GLN A 99 6.064 -3.766 7.069 1.00 0.00 C ATOM 1448 O GLN A 99 5.692 -4.731 6.402 1.00 0.00 O ATOM 1449 CB GLN A 99 5.867 -3.899 9.560 1.00 0.00 C ATOM 1450 CG GLN A 99 6.566 -3.765 10.903 1.00 0.00 C ATOM 1451 CD GLN A 99 5.769 -4.378 12.038 1.00 0.00 C ATOM 1452 OE1 GLN A 99 5.808 -5.589 12.256 1.00 0.00 O ATOM 1453 NE2 GLN A 99 5.041 -3.542 12.770 1.00 0.00 N ATOM 0 H GLN A 99 7.553 -2.001 8.495 1.00 0.00 H new ATOM 0 HA GLN A 99 7.299 -4.950 8.350 1.00 0.00 H new ATOM 0 HB2 GLN A 99 5.194 -3.052 9.424 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.251 -4.798 9.569 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.543 -4.245 10.849 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.740 -2.710 11.114 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.038 -2.545 12.554 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.485 -3.897 13.548 1.00 0.00 H new ATOM 1462 N CYS A 100 5.832 -2.507 6.712 1.00 0.00 N ATOM 1463 CA CYS A 100 5.110 -2.180 5.489 1.00 0.00 C ATOM 1464 C CYS A 100 6.047 -2.191 4.285 1.00 0.00 C ATOM 1465 O CYS A 100 7.269 -2.177 4.435 1.00 0.00 O ATOM 1466 CB CYS A 100 4.442 -0.809 5.617 1.00 0.00 C ATOM 1467 SG CYS A 100 3.228 -0.697 6.971 1.00 0.00 S ATOM 0 H CYS A 100 6.134 -1.697 7.253 1.00 0.00 H new ATOM 0 HA CYS A 100 4.342 -2.938 5.336 1.00 0.00 H new ATOM 0 HB2 CYS A 100 5.213 -0.054 5.771 1.00 0.00 H new ATOM 0 HB3 CYS A 100 3.945 -0.570 4.677 1.00 0.00 H new ATOM 1472 N VAL A 101 5.465 -2.215 3.090 1.00 0.00 N ATOM 1473 CA VAL A 101 6.247 -2.226 1.859 1.00 0.00 C ATOM 1474 C VAL A 101 5.910 -1.026 0.983 1.00 0.00 C ATOM 1475 O VAL A 101 4.761 -0.586 0.928 1.00 0.00 O ATOM 1476 CB VAL A 101 6.009 -3.518 1.054 1.00 0.00 C ATOM 1477 CG1 VAL A 101 6.962 -3.594 -0.129 1.00 0.00 C ATOM 1478 CG2 VAL A 101 6.160 -4.739 1.950 1.00 0.00 C ATOM 0 H VAL A 101 4.455 -2.227 2.948 1.00 0.00 H new ATOM 0 HA VAL A 101 7.296 -2.176 2.151 1.00 0.00 H new ATOM 0 HB VAL A 101 4.990 -3.502 0.668 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.779 -4.513 -0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.801 -2.736 -0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 101 7.991 -3.587 0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.989 -5.643 1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.167 -4.762 2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.433 -4.688 2.760 1.00 0.00 H new ATOM 1488 N TYR A 102 6.918 -0.499 0.297 1.00 0.00 N ATOM 1489 CA TYR A 102 6.729 0.654 -0.576 1.00 0.00 C ATOM 1490 C TYR A 102 7.378 0.418 -1.937 1.00 0.00 C ATOM 1491 O TYR A 102 8.379 -0.291 -2.046 1.00 0.00 O ATOM 1492 CB TYR A 102 7.315 1.911 0.069 1.00 0.00 C ATOM 1493 CG TYR A 102 8.825 1.968 0.023 1.00 0.00 C ATOM 1494 CD1 TYR A 102 9.593 1.382 1.021 1.00 0.00 C ATOM 1495 CD2 TYR A 102 9.483 2.608 -1.020 1.00 0.00 C ATOM 1496 CE1 TYR A 102 10.973 1.432 0.983 1.00 0.00 C ATOM 1497 CE2 TYR A 102 10.863 2.663 -1.067 1.00 0.00 C ATOM 1498 CZ TYR A 102 11.603 2.074 -0.063 1.00 0.00 C ATOM 1499 OH TYR A 102 12.978 2.125 -0.105 1.00 0.00 O ATOM 0 H TYR A 102 7.875 -0.852 0.328 1.00 0.00 H new ATOM 0 HA TYR A 102 5.658 0.795 -0.723 1.00 0.00 H new ATOM 0 HB2 TYR A 102 6.911 2.789 -0.435 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.989 1.961 1.108 1.00 0.00 H new ATOM 0 HD1 TYR A 102 9.103 0.878 1.841 1.00 0.00 H new ATOM 0 HD2 TYR A 102 8.906 3.070 -1.807 1.00 0.00 H new ATOM 0 HE1 TYR A 102 11.555 0.971 1.767 1.00 0.00 H new ATOM 0 HE2 TYR A 102 11.359 3.164 -1.885 1.00 0.00 H new ATOM 0 HH TYR A 102 13.263 2.612 -0.906 1.00 0.00 H new ATOM 1509 N PHE A 103 6.800 1.018 -2.972 1.00 0.00 N ATOM 1510 CA PHE A 103 7.321 0.875 -4.327 1.00 0.00 C ATOM 1511 C PHE A 103 8.539 1.768 -4.539 1.00 0.00 C ATOM 1512 O PHE A 103 8.425 2.993 -4.578 1.00 0.00 O ATOM 1513 CB PHE A 103 6.237 1.220 -5.351 1.00 0.00 C ATOM 1514 CG PHE A 103 6.588 0.814 -6.754 1.00 0.00 C ATOM 1515 CD1 PHE A 103 7.645 1.413 -7.419 1.00 0.00 C ATOM 1516 CD2 PHE A 103 5.860 -0.167 -7.408 1.00 0.00 C ATOM 1517 CE1 PHE A 103 7.971 1.042 -8.710 1.00 0.00 C ATOM 1518 CE2 PHE A 103 6.181 -0.543 -8.699 1.00 0.00 C ATOM 1519 CZ PHE A 103 7.237 0.063 -9.351 1.00 0.00 C ATOM 0 H PHE A 103 5.971 1.608 -2.899 1.00 0.00 H new ATOM 0 HA PHE A 103 7.625 -0.162 -4.465 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.306 0.732 -5.062 1.00 0.00 H new ATOM 0 HB3 PHE A 103 6.054 2.294 -5.327 1.00 0.00 H new ATOM 0 HD1 PHE A 103 8.222 2.179 -6.923 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.032 -0.643 -6.903 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.798 1.517 -9.217 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.607 -1.310 -9.197 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.488 -0.228 -10.360 1.00 0.00 H new ATOM 1529 N ASP A 104 9.705 1.146 -4.675 1.00 0.00 N ATOM 1530 CA ASP A 104 10.946 1.883 -4.883 1.00 0.00 C ATOM 1531 C ASP A 104 11.093 2.296 -6.345 1.00 0.00 C ATOM 1532 O ASP A 104 11.713 1.590 -7.140 1.00 0.00 O ATOM 1533 CB ASP A 104 12.145 1.035 -4.456 1.00 0.00 C ATOM 1534 CG ASP A 104 13.313 1.880 -3.985 1.00 0.00 C ATOM 1535 OD1 ASP A 104 13.149 3.114 -3.882 1.00 0.00 O ATOM 1536 OD2 ASP A 104 14.390 1.308 -3.719 1.00 0.00 O ATOM 0 H ASP A 104 9.817 0.133 -4.645 1.00 0.00 H new ATOM 0 HA ASP A 104 10.913 2.784 -4.271 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.842 0.360 -3.655 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.464 0.414 -5.293 1.00 0.00 H new ATOM 1541 N GLY A 105 10.519 3.444 -6.691 1.00 0.00 N ATOM 1542 CA GLY A 105 10.597 3.930 -8.056 1.00 0.00 C ATOM 1543 C GLY A 105 12.022 4.211 -8.491 1.00 0.00 C ATOM 1544 O GLY A 105 12.427 3.837 -9.592 1.00 0.00 O ATOM 0 H GLY A 105 10.001 4.046 -6.051 1.00 0.00 H new ATOM 0 HA2 GLY A 105 10.154 3.193 -8.726 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.006 4.841 -8.148 1.00 0.00 H new ATOM 1602 N LYS A 110 13.181 -2.686 -11.872 1.00 0.00 N ATOM 1603 CA LYS A 110 11.748 -2.752 -11.610 1.00 0.00 C ATOM 1604 C LYS A 110 11.388 -4.036 -10.871 1.00 0.00 C ATOM 1605 O LYS A 110 10.331 -4.129 -10.247 1.00 0.00 O ATOM 1606 CB LYS A 110 10.965 -2.669 -12.923 1.00 0.00 C ATOM 1607 CG LYS A 110 11.136 -3.890 -13.810 1.00 0.00 C ATOM 1608 CD LYS A 110 10.199 -5.014 -13.399 1.00 0.00 C ATOM 1609 CE LYS A 110 9.837 -5.898 -14.583 1.00 0.00 C ATOM 1610 NZ LYS A 110 9.144 -7.144 -14.153 1.00 0.00 N ATOM 0 HA LYS A 110 11.480 -1.904 -10.979 1.00 0.00 H new ATOM 0 HB2 LYS A 110 9.906 -2.539 -12.698 1.00 0.00 H new ATOM 0 HB3 LYS A 110 11.285 -1.783 -13.472 1.00 0.00 H new ATOM 0 HG2 LYS A 110 10.945 -3.617 -14.848 1.00 0.00 H new ATOM 0 HG3 LYS A 110 12.168 -4.238 -13.757 1.00 0.00 H new ATOM 0 HD2 LYS A 110 10.671 -5.618 -12.624 1.00 0.00 H new ATOM 0 HD3 LYS A 110 9.291 -4.593 -12.967 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.195 -5.343 -15.268 1.00 0.00 H new ATOM 0 HE3 LYS A 110 10.742 -6.157 -15.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.914 -7.719 -14.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 9.766 -7.686 -13.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.267 -6.898 -13.650 1.00 0.00 H new ATOM 1624 N SER A 111 12.274 -5.025 -10.945 1.00 0.00 N ATOM 1625 CA SER A 111 12.047 -6.305 -10.284 1.00 0.00 C ATOM 1626 C SER A 111 12.523 -6.260 -8.835 1.00 0.00 C ATOM 1627 O SER A 111 12.333 -7.211 -8.077 1.00 0.00 O ATOM 1628 CB SER A 111 12.770 -7.425 -11.035 1.00 0.00 C ATOM 1629 OG SER A 111 12.094 -8.661 -10.881 1.00 0.00 O ATOM 0 H SER A 111 13.155 -4.964 -11.456 1.00 0.00 H new ATOM 0 HA SER A 111 10.975 -6.505 -10.290 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.837 -7.173 -12.093 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.791 -7.516 -10.664 1.00 0.00 H new ATOM 0 HG SER A 111 12.575 -9.360 -11.371 1.00 0.00 H new ATOM 1635 N LYS A 112 13.142 -5.147 -8.457 1.00 0.00 N ATOM 1636 CA LYS A 112 13.645 -4.974 -7.099 1.00 0.00 C ATOM 1637 C LYS A 112 13.101 -3.692 -6.476 1.00 0.00 C ATOM 1638 O LYS A 112 13.755 -3.072 -5.638 1.00 0.00 O ATOM 1639 CB LYS A 112 15.175 -4.945 -7.099 1.00 0.00 C ATOM 1640 CG LYS A 112 15.809 -6.291 -7.401 1.00 0.00 C ATOM 1641 CD LYS A 112 17.247 -6.353 -6.913 1.00 0.00 C ATOM 1642 CE LYS A 112 18.203 -5.723 -7.915 1.00 0.00 C ATOM 1643 NZ LYS A 112 18.272 -6.504 -9.181 1.00 0.00 N ATOM 0 H LYS A 112 13.308 -4.351 -9.072 1.00 0.00 H new ATOM 0 HA LYS A 112 13.304 -5.820 -6.502 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.516 -4.219 -7.837 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.523 -4.599 -6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 112 15.228 -7.082 -6.926 1.00 0.00 H new ATOM 0 HG3 LYS A 112 15.780 -6.475 -8.475 1.00 0.00 H new ATOM 0 HD2 LYS A 112 17.330 -5.838 -5.956 1.00 0.00 H new ATOM 0 HD3 LYS A 112 17.530 -7.392 -6.742 1.00 0.00 H new ATOM 0 HE2 LYS A 112 17.881 -4.705 -8.133 1.00 0.00 H new ATOM 0 HE3 LYS A 112 19.198 -5.656 -7.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 19.162 -6.289 -9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 18.233 -7.520 -8.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 17.469 -6.249 -9.791 1.00 0.00 H new ATOM 1657 N VAL A 113 11.900 -3.301 -6.891 1.00 0.00 N ATOM 1658 CA VAL A 113 11.268 -2.094 -6.372 1.00 0.00 C ATOM 1659 C VAL A 113 10.660 -2.341 -4.996 1.00 0.00 C ATOM 1660 O VAL A 113 10.594 -1.436 -4.164 1.00 0.00 O ATOM 1661 CB VAL A 113 10.169 -1.584 -7.323 1.00 0.00 C ATOM 1662 CG1 VAL A 113 10.737 -1.336 -8.712 1.00 0.00 C ATOM 1663 CG2 VAL A 113 9.012 -2.571 -7.379 1.00 0.00 C ATOM 0 H VAL A 113 11.346 -3.803 -7.585 1.00 0.00 H new ATOM 0 HA VAL A 113 12.048 -1.337 -6.291 1.00 0.00 H new ATOM 0 HB VAL A 113 9.790 -0.637 -6.937 1.00 0.00 H new ATOM 0 HG11 VAL A 113 9.946 -0.976 -9.370 1.00 0.00 H new ATOM 0 HG12 VAL A 113 11.528 -0.589 -8.653 1.00 0.00 H new ATOM 0 HG13 VAL A 113 11.145 -2.265 -9.110 1.00 0.00 H new ATOM 0 HG21 VAL A 113 8.245 -2.194 -8.056 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.373 -3.534 -7.740 1.00 0.00 H new ATOM 0 HG23 VAL A 113 8.589 -2.692 -6.382 1.00 0.00 H new ATOM 1673 N TRP A 114 10.217 -3.571 -4.763 1.00 0.00 N ATOM 1674 CA TRP A 114 9.615 -3.937 -3.486 1.00 0.00 C ATOM 1675 C TRP A 114 10.630 -3.827 -2.353 1.00 0.00 C ATOM 1676 O TRP A 114 11.632 -4.542 -2.332 1.00 0.00 O ATOM 1677 CB TRP A 114 9.057 -5.360 -3.551 1.00 0.00 C ATOM 1678 CG TRP A 114 7.714 -5.442 -4.211 1.00 0.00 C ATOM 1679 CD1 TRP A 114 7.109 -4.474 -4.961 1.00 0.00 C ATOM 1680 CD2 TRP A 114 6.810 -6.551 -4.179 1.00 0.00 C ATOM 1681 NE1 TRP A 114 5.883 -4.915 -5.397 1.00 0.00 N ATOM 1682 CE2 TRP A 114 5.676 -6.186 -4.932 1.00 0.00 C ATOM 1683 CE3 TRP A 114 6.848 -7.818 -3.590 1.00 0.00 C ATOM 1684 CZ2 TRP A 114 4.593 -7.043 -5.108 1.00 0.00 C ATOM 1685 CZ3 TRP A 114 5.772 -8.667 -3.765 1.00 0.00 C ATOM 1686 CH2 TRP A 114 4.657 -8.277 -4.519 1.00 0.00 C ATOM 0 H TRP A 114 10.263 -4.332 -5.441 1.00 0.00 H new ATOM 0 HA TRP A 114 8.799 -3.243 -3.286 1.00 0.00 H new ATOM 0 HB2 TRP A 114 9.759 -5.994 -4.093 1.00 0.00 H new ATOM 0 HB3 TRP A 114 8.982 -5.760 -2.540 1.00 0.00 H new ATOM 0 HD1 TRP A 114 7.532 -3.505 -5.179 1.00 0.00 H new ATOM 0 HE1 TRP A 114 5.232 -4.382 -5.974 1.00 0.00 H new ATOM 0 HE3 TRP A 114 7.703 -8.128 -3.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 3.733 -6.745 -5.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 5.791 -9.648 -3.313 1.00 0.00 H new ATOM 0 HH2 TRP A 114 3.832 -8.964 -4.638 1.00 0.00 H new ATOM 1697 N THR A 115 10.364 -2.927 -1.411 1.00 0.00 N ATOM 1698 CA THR A 115 11.255 -2.723 -0.276 1.00 0.00 C ATOM 1699 C THR A 115 10.467 -2.430 0.995 1.00 0.00 C ATOM 1700 O THR A 115 9.488 -1.683 0.974 1.00 0.00 O ATOM 1701 CB THR A 115 12.239 -1.567 -0.535 1.00 0.00 C ATOM 1702 OG1 THR A 115 13.010 -1.834 -1.712 1.00 0.00 O ATOM 1703 CG2 THR A 115 13.169 -1.372 0.653 1.00 0.00 C ATOM 0 H THR A 115 9.538 -2.328 -1.412 1.00 0.00 H new ATOM 0 HA THR A 115 11.818 -3.647 -0.146 1.00 0.00 H new ATOM 0 HB THR A 115 11.662 -0.653 -0.679 1.00 0.00 H new ATOM 0 HG1 THR A 115 13.632 -1.093 -1.871 1.00 0.00 H new ATOM 0 HG21 THR A 115 13.855 -0.550 0.447 1.00 0.00 H new ATOM 0 HG22 THR A 115 12.581 -1.140 1.541 1.00 0.00 H new ATOM 0 HG23 THR A 115 13.738 -2.286 0.823 1.00 0.00 H new ATOM 1711 N THR A 116 10.900 -3.022 2.104 1.00 0.00 N ATOM 1712 CA THR A 116 10.235 -2.824 3.386 1.00 0.00 C ATOM 1713 C THR A 116 10.691 -1.529 4.048 1.00 0.00 C ATOM 1714 O THR A 116 11.810 -1.066 3.823 1.00 0.00 O ATOM 1715 CB THR A 116 10.502 -4.000 4.345 1.00 0.00 C ATOM 1716 OG1 THR A 116 11.911 -4.215 4.476 1.00 0.00 O ATOM 1717 CG2 THR A 116 9.834 -5.271 3.841 1.00 0.00 C ATOM 0 H THR A 116 11.709 -3.643 2.140 1.00 0.00 H new ATOM 0 HA THR A 116 9.166 -2.767 3.182 1.00 0.00 H new ATOM 0 HB THR A 116 10.082 -3.749 5.319 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.224 -4.787 3.744 1.00 0.00 H new ATOM 0 HG21 THR A 116 10.036 -6.088 4.534 1.00 0.00 H new ATOM 0 HG22 THR A 116 8.758 -5.113 3.770 1.00 0.00 H new ATOM 0 HG23 THR A 116 10.229 -5.524 2.857 1.00 0.00 H new ATOM 1725 N ASP A 117 9.820 -0.949 4.866 1.00 0.00 N ATOM 1726 CA ASP A 117 10.135 0.292 5.563 1.00 0.00 C ATOM 1727 C ASP A 117 9.097 0.588 6.641 1.00 0.00 C ATOM 1728 O ASP A 117 7.974 0.083 6.594 1.00 0.00 O ATOM 1729 CB ASP A 117 10.205 1.455 4.572 1.00 0.00 C ATOM 1730 CG ASP A 117 11.154 2.547 5.027 1.00 0.00 C ATOM 1731 OD1 ASP A 117 12.292 2.217 5.422 1.00 0.00 O ATOM 1732 OD2 ASP A 117 10.759 3.730 4.986 1.00 0.00 O ATOM 0 H ASP A 117 8.890 -1.319 5.063 1.00 0.00 H new ATOM 0 HA ASP A 117 11.107 0.174 6.042 1.00 0.00 H new ATOM 0 HB2 ASP A 117 10.525 1.081 3.600 1.00 0.00 H new ATOM 0 HB3 ASP A 117 9.208 1.876 4.439 1.00 0.00 H new ATOM 1737 N THR A 118 9.478 1.411 7.614 1.00 0.00 N ATOM 1738 CA THR A 118 8.582 1.772 8.705 1.00 0.00 C ATOM 1739 C THR A 118 7.255 2.302 8.174 1.00 0.00 C ATOM 1740 O THR A 118 7.208 2.952 7.129 1.00 0.00 O ATOM 1741 CB THR A 118 9.215 2.835 9.623 1.00 0.00 C ATOM 1742 OG1 THR A 118 8.335 3.128 10.713 1.00 0.00 O ATOM 1743 CG2 THR A 118 9.514 4.110 8.849 1.00 0.00 C ATOM 0 H THR A 118 10.402 1.840 7.668 1.00 0.00 H new ATOM 0 HA THR A 118 8.404 0.864 9.281 1.00 0.00 H new ATOM 0 HB THR A 118 10.152 2.436 10.011 1.00 0.00 H new ATOM 0 HG1 THR A 118 8.746 3.803 11.293 1.00 0.00 H new ATOM 0 HG21 THR A 118 9.960 4.846 9.518 1.00 0.00 H new ATOM 0 HG22 THR A 118 10.208 3.889 8.038 1.00 0.00 H new ATOM 0 HG23 THR A 118 8.588 4.510 8.436 1.00 0.00 H new ATOM 1751 N CYS A 119 6.178 2.020 8.899 1.00 0.00 N ATOM 1752 CA CYS A 119 4.849 2.468 8.502 1.00 0.00 C ATOM 1753 C CYS A 119 4.552 3.855 9.063 1.00 0.00 C ATOM 1754 O CYS A 119 3.399 4.196 9.324 1.00 0.00 O ATOM 1755 CB CYS A 119 3.789 1.474 8.980 1.00 0.00 C ATOM 1756 SG CYS A 119 4.207 -0.270 8.663 1.00 0.00 S ATOM 0 H CYS A 119 6.200 1.483 9.766 1.00 0.00 H new ATOM 0 HA CYS A 119 4.821 2.523 7.414 1.00 0.00 H new ATOM 0 HB2 CYS A 119 3.635 1.611 10.050 1.00 0.00 H new ATOM 0 HB3 CYS A 119 2.843 1.704 8.490 1.00 0.00 H new ATOM 1761 N ALA A 120 5.601 4.651 9.245 1.00 0.00 N ATOM 1762 CA ALA A 120 5.453 6.001 9.773 1.00 0.00 C ATOM 1763 C ALA A 120 6.100 7.026 8.848 1.00 0.00 C ATOM 1764 O ALA A 120 5.934 8.233 9.028 1.00 0.00 O ATOM 1765 CB ALA A 120 6.055 6.092 11.167 1.00 0.00 C ATOM 0 H ALA A 120 6.563 4.384 9.034 1.00 0.00 H new ATOM 0 HA ALA A 120 4.388 6.226 9.834 1.00 0.00 H new ATOM 0 HB1 ALA A 120 5.937 7.106 11.549 1.00 0.00 H new ATOM 0 HB2 ALA A 120 5.545 5.393 11.830 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.115 5.842 11.123 1.00 0.00 H new ATOM 1771 N THR A 121 6.838 6.538 7.856 1.00 0.00 N ATOM 1772 CA THR A 121 7.511 7.412 6.903 1.00 0.00 C ATOM 1773 C THR A 121 6.511 8.080 5.967 1.00 0.00 C ATOM 1774 O THR A 121 5.735 7.420 5.275 1.00 0.00 O ATOM 1775 CB THR A 121 8.544 6.637 6.063 1.00 0.00 C ATOM 1776 OG1 THR A 121 9.678 6.300 6.870 1.00 0.00 O ATOM 1777 CG2 THR A 121 8.994 7.460 4.865 1.00 0.00 C ATOM 0 H THR A 121 6.985 5.542 7.692 1.00 0.00 H new ATOM 0 HA THR A 121 8.026 8.176 7.485 1.00 0.00 H new ATOM 0 HB THR A 121 8.073 5.724 5.700 1.00 0.00 H new ATOM 0 HG1 THR A 121 10.329 5.806 6.329 1.00 0.00 H new ATOM 0 HG21 THR A 121 9.723 6.892 4.287 1.00 0.00 H new ATOM 0 HG22 THR A 121 8.133 7.690 4.237 1.00 0.00 H new ATOM 0 HG23 THR A 121 9.449 8.388 5.211 1.00 0.00 H new ATOM 1785 N PRO A 122 6.526 9.421 5.943 1.00 0.00 N ATOM 1786 CA PRO A 122 5.626 10.208 5.094 1.00 0.00 C ATOM 1787 C PRO A 122 5.966 10.079 3.613 1.00 0.00 C ATOM 1788 O PRO A 122 6.927 10.680 3.133 1.00 0.00 O ATOM 1789 CB PRO A 122 5.852 11.644 5.572 1.00 0.00 C ATOM 1790 CG PRO A 122 7.227 11.639 6.147 1.00 0.00 C ATOM 1791 CD PRO A 122 7.423 10.272 6.742 1.00 0.00 C ATOM 0 HA PRO A 122 4.592 9.875 5.178 1.00 0.00 H new ATOM 0 HB2 PRO A 122 5.770 12.353 4.748 1.00 0.00 H new ATOM 0 HB3 PRO A 122 5.112 11.934 6.318 1.00 0.00 H new ATOM 0 HG2 PRO A 122 7.972 11.840 5.377 1.00 0.00 H new ATOM 0 HG3 PRO A 122 7.335 12.414 6.906 1.00 0.00 H new ATOM 0 HD2 PRO A 122 8.460 9.945 6.666 1.00 0.00 H new ATOM 0 HD3 PRO A 122 7.159 10.252 7.799 1.00 0.00 H new ATOM 1799 N ARG A 123 5.171 9.293 2.894 1.00 0.00 N ATOM 1800 CA ARG A 123 5.389 9.086 1.468 1.00 0.00 C ATOM 1801 C ARG A 123 4.063 9.053 0.714 1.00 0.00 C ATOM 1802 O ARG A 123 2.998 8.834 1.292 1.00 0.00 O ATOM 1803 CB ARG A 123 6.155 7.783 1.231 1.00 0.00 C ATOM 1804 CG ARG A 123 7.665 7.957 1.223 1.00 0.00 C ATOM 1805 CD ARG A 123 8.380 6.624 1.374 1.00 0.00 C ATOM 1806 NE ARG A 123 9.745 6.788 1.868 1.00 0.00 N ATOM 1807 CZ ARG A 123 10.677 5.846 1.777 1.00 0.00 C ATOM 1808 NH1 ARG A 123 10.394 4.680 1.214 1.00 0.00 N ATOM 1809 NH2 ARG A 123 11.897 6.070 2.251 1.00 0.00 N ATOM 0 H ARG A 123 4.370 8.789 3.276 1.00 0.00 H new ATOM 0 HA ARG A 123 5.980 9.921 1.092 1.00 0.00 H new ATOM 0 HB2 ARG A 123 5.884 7.066 2.006 1.00 0.00 H new ATOM 0 HB3 ARG A 123 5.842 7.356 0.278 1.00 0.00 H new ATOM 0 HG2 ARG A 123 7.973 8.433 0.292 1.00 0.00 H new ATOM 0 HG3 ARG A 123 7.960 8.623 2.034 1.00 0.00 H new ATOM 0 HD2 ARG A 123 7.820 5.988 2.060 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.402 6.113 0.411 1.00 0.00 H new ATOM 0 HE ARG A 123 9.996 7.674 2.307 1.00 0.00 H new ATOM 0 HH11 ARG A 123 9.458 4.504 0.849 1.00 0.00 H new ATOM 0 HH12 ARG A 123 11.112 3.959 1.146 1.00 0.00 H new ATOM 0 HH21 ARG A 123 12.119 6.966 2.685 1.00 0.00 H new ATOM 0 HH22 ARG A 123 12.612 5.346 2.181 1.00 0.00 H new ATOM 1823 N PRO A 124 4.126 9.277 -0.607 1.00 0.00 N ATOM 1824 CA PRO A 124 2.940 9.278 -1.468 1.00 0.00 C ATOM 1825 C PRO A 124 2.343 7.884 -1.633 1.00 0.00 C ATOM 1826 O PRO A 124 2.998 6.880 -1.353 1.00 0.00 O ATOM 1827 CB PRO A 124 3.474 9.793 -2.807 1.00 0.00 C ATOM 1828 CG PRO A 124 4.922 9.445 -2.796 1.00 0.00 C ATOM 1829 CD PRO A 124 5.362 9.545 -1.362 1.00 0.00 C ATOM 0 HA PRO A 124 2.135 9.885 -1.053 1.00 0.00 H new ATOM 0 HB2 PRO A 124 2.960 9.323 -3.645 1.00 0.00 H new ATOM 0 HB3 PRO A 124 3.326 10.868 -2.905 1.00 0.00 H new ATOM 0 HG2 PRO A 124 5.085 8.440 -3.185 1.00 0.00 H new ATOM 0 HG3 PRO A 124 5.492 10.127 -3.427 1.00 0.00 H new ATOM 0 HD2 PRO A 124 6.141 8.819 -1.129 1.00 0.00 H new ATOM 0 HD3 PRO A 124 5.767 10.531 -1.134 1.00 0.00 H new ATOM 1837 N PHE A 125 1.096 7.831 -2.090 1.00 0.00 N ATOM 1838 CA PHE A 125 0.410 6.560 -2.292 1.00 0.00 C ATOM 1839 C PHE A 125 -0.560 6.646 -3.467 1.00 0.00 C ATOM 1840 O PHE A 125 -0.690 7.693 -4.102 1.00 0.00 O ATOM 1841 CB PHE A 125 -0.342 6.154 -1.023 1.00 0.00 C ATOM 1842 CG PHE A 125 -1.035 7.301 -0.345 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -0.305 8.350 0.191 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -2.417 7.331 -0.244 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -0.941 9.406 0.816 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -3.058 8.385 0.380 1.00 0.00 C ATOM 1847 CZ PHE A 125 -2.318 9.425 0.909 1.00 0.00 C ATOM 0 H PHE A 125 0.540 8.653 -2.327 1.00 0.00 H new ATOM 0 HA PHE A 125 1.161 5.803 -2.518 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -1.079 5.392 -1.275 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.360 5.699 -0.324 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.773 8.342 0.120 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -3.000 6.521 -0.658 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -0.360 10.216 1.232 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -4.135 8.395 0.454 1.00 0.00 H new ATOM 0 HZ PHE A 125 -2.816 10.251 1.394 1.00 0.00 H new ATOM 1857 N ILE A 126 -1.238 5.539 -3.749 1.00 0.00 N ATOM 1858 CA ILE A 126 -2.196 5.489 -4.846 1.00 0.00 C ATOM 1859 C ILE A 126 -3.499 4.827 -4.409 1.00 0.00 C ATOM 1860 O ILE A 126 -3.498 3.705 -3.902 1.00 0.00 O ATOM 1861 CB ILE A 126 -1.627 4.726 -6.057 1.00 0.00 C ATOM 1862 CG1 ILE A 126 -0.469 5.507 -6.681 1.00 0.00 C ATOM 1863 CG2 ILE A 126 -2.719 4.476 -7.086 1.00 0.00 C ATOM 1864 CD1 ILE A 126 0.119 4.842 -7.906 1.00 0.00 C ATOM 0 H ILE A 126 -1.142 4.665 -3.233 1.00 0.00 H new ATOM 0 HA ILE A 126 -2.395 6.520 -5.138 1.00 0.00 H new ATOM 0 HB ILE A 126 -1.249 3.762 -5.716 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -0.818 6.504 -6.951 1.00 0.00 H new ATOM 0 HG13 ILE A 126 0.316 5.635 -5.935 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -2.301 3.936 -7.936 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -3.515 3.883 -6.635 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -3.124 5.429 -7.425 1.00 0.00 H new ATOM 0 HD11 ILE A 126 0.935 5.452 -8.295 1.00 0.00 H new ATOM 0 HD12 ILE A 126 0.499 3.856 -7.638 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -0.652 4.738 -8.669 1.00 0.00 H new ATOM 1876 N CYS A 127 -4.609 5.529 -4.611 1.00 0.00 N ATOM 1877 CA CYS A 127 -5.920 5.010 -4.239 1.00 0.00 C ATOM 1878 C CYS A 127 -6.590 4.323 -5.426 1.00 0.00 C ATOM 1879 O CYS A 127 -6.452 4.762 -6.568 1.00 0.00 O ATOM 1880 CB CYS A 127 -6.811 6.141 -3.721 1.00 0.00 C ATOM 1881 SG CYS A 127 -6.027 7.181 -2.447 1.00 0.00 S ATOM 0 H CYS A 127 -4.627 6.459 -5.030 1.00 0.00 H new ATOM 0 HA CYS A 127 -5.781 4.274 -3.447 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -7.104 6.772 -4.560 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -7.725 5.711 -3.312 1.00 0.00 H new ATOM 1886 N GLN A 128 -7.314 3.244 -5.147 1.00 0.00 N ATOM 1887 CA GLN A 128 -8.004 2.497 -6.191 1.00 0.00 C ATOM 1888 C GLN A 128 -9.412 2.114 -5.747 1.00 0.00 C ATOM 1889 O GLN A 128 -9.679 1.966 -4.554 1.00 0.00 O ATOM 1890 CB GLN A 128 -7.212 1.240 -6.557 1.00 0.00 C ATOM 1891 CG GLN A 128 -7.977 0.278 -7.451 1.00 0.00 C ATOM 1892 CD GLN A 128 -7.132 -0.898 -7.901 1.00 0.00 C ATOM 1893 OE1 GLN A 128 -6.705 -0.965 -9.054 1.00 0.00 O ATOM 1894 NE2 GLN A 128 -6.885 -1.832 -6.990 1.00 0.00 N ATOM 0 H GLN A 128 -7.438 2.868 -4.207 1.00 0.00 H new ATOM 0 HA GLN A 128 -8.082 3.137 -7.070 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -6.290 1.535 -7.059 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -6.925 0.722 -5.642 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -8.852 -0.092 -6.916 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -8.342 0.814 -8.327 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -7.259 -1.735 -6.046 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -6.321 -2.646 -7.234 1.00 0.00 H new