USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 484 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 2 ASN : amide:sc= -0.077 X(o=-0.077,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 88:sc= 0.463 USER MOD Single : A 16 ASN : amide:sc= 0.506 K(o=0.51,f=0) USER MOD Single : A 19 THR OG1 : rot 170:sc= 0.12 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.0444 K(o=-0.044,f=-0.83) USER MOD Single : A 28 SER OG : rot -76:sc= 1.28 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0592 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0986 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0.012) USER MOD Single : A 42 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0695) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 47 ASN : amide:sc= 0.311 X(o=0.31,f=0) USER MOD Single : A 51 SER OG : rot -37:sc= 0.336 USER MOD Single : A 52 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.22) USER MOD Single : A 53 THR OG1 : rot 94:sc= 1.25 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot -172:sc= 1.28 USER MOD Single : A 62 HIS :FLIP no HD1:sc= -0.0286 F(o=-0.54,f=-0.029) USER MOD ----------------------------------------------------------------- ATOM 39 N ASN A 2 4.803 -8.531 -6.133 1.00 0.00 N ATOM 40 CA ASN A 2 6.003 -7.729 -5.936 1.00 0.00 C ATOM 41 C ASN A 2 5.593 -6.265 -5.773 1.00 0.00 C ATOM 42 O ASN A 2 4.437 -5.913 -6.007 1.00 0.00 O ATOM 43 CB ASN A 2 6.996 -7.944 -7.084 1.00 0.00 C ATOM 44 CG ASN A 2 7.424 -9.393 -7.271 1.00 0.00 C ATOM 45 OD1 ASN A 2 7.419 -9.892 -8.391 1.00 0.00 O ATOM 46 ND2 ASN A 2 7.734 -10.123 -6.214 1.00 0.00 N ATOM 0 HA ASN A 2 6.521 -8.040 -5.029 1.00 0.00 H new ATOM 0 HB2 ASN A 2 6.547 -7.586 -8.011 1.00 0.00 H new ATOM 0 HB3 ASN A 2 7.882 -7.335 -6.903 1.00 0.00 H new ATOM 0 HD21 ASN A 2 7.971 -11.109 -6.327 1.00 0.00 H new ATOM 0 HD22 ASN A 2 7.736 -9.701 -5.285 1.00 0.00 H new ATOM 53 N ILE A 3 6.543 -5.401 -5.410 1.00 0.00 N ATOM 54 CA ILE A 3 6.353 -3.968 -5.169 1.00 0.00 C ATOM 55 C ILE A 3 5.408 -3.287 -6.161 1.00 0.00 C ATOM 56 O ILE A 3 4.422 -2.695 -5.718 1.00 0.00 O ATOM 57 CB ILE A 3 7.732 -3.277 -5.015 1.00 0.00 C ATOM 58 CG1 ILE A 3 8.281 -3.649 -3.619 1.00 0.00 C ATOM 59 CG2 ILE A 3 7.656 -1.743 -5.172 1.00 0.00 C ATOM 60 CD1 ILE A 3 9.776 -3.404 -3.438 1.00 0.00 C ATOM 0 H ILE A 3 7.510 -5.694 -5.269 1.00 0.00 H new ATOM 0 HA ILE A 3 5.821 -3.853 -4.224 1.00 0.00 H new ATOM 0 HB ILE A 3 8.392 -3.625 -5.810 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.739 -3.077 -2.866 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.073 -4.702 -3.430 1.00 0.00 H new ATOM 0 HG21 ILE A 3 8.652 -1.315 -5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.270 -1.497 -6.161 1.00 0.00 H new ATOM 0 HG23 ILE A 3 6.992 -1.332 -4.411 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.073 -3.693 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 3 10.332 -3.997 -4.164 1.00 0.00 H new ATOM 0 HD13 ILE A 3 9.993 -2.347 -3.591 1.00 0.00 H new ATOM 72 N SER A 4 5.692 -3.358 -7.464 1.00 0.00 N ATOM 73 CA SER A 4 4.866 -2.730 -8.488 1.00 0.00 C ATOM 74 C SER A 4 3.422 -3.248 -8.442 1.00 0.00 C ATOM 75 O SER A 4 2.502 -2.432 -8.409 1.00 0.00 O ATOM 76 CB SER A 4 5.556 -2.904 -9.845 1.00 0.00 C ATOM 77 OG SER A 4 4.848 -2.343 -10.931 1.00 0.00 O ATOM 0 H SER A 4 6.503 -3.854 -7.835 1.00 0.00 H new ATOM 0 HA SER A 4 4.774 -1.660 -8.302 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.546 -2.450 -9.798 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.702 -3.968 -10.032 1.00 0.00 H new ATOM 0 HG SER A 4 5.349 -2.492 -11.760 1.00 0.00 H new ATOM 83 N ASP A 5 3.203 -4.568 -8.408 1.00 0.00 N ATOM 84 CA ASP A 5 1.858 -5.145 -8.374 1.00 0.00 C ATOM 85 C ASP A 5 1.093 -4.669 -7.146 1.00 0.00 C ATOM 86 O ASP A 5 -0.102 -4.387 -7.253 1.00 0.00 O ATOM 87 CB ASP A 5 1.899 -6.690 -8.371 1.00 0.00 C ATOM 88 CG ASP A 5 1.984 -7.327 -9.755 1.00 0.00 C ATOM 89 OD1 ASP A 5 0.937 -7.494 -10.418 1.00 0.00 O ATOM 90 OD2 ASP A 5 3.099 -7.720 -10.182 1.00 0.00 O ATOM 0 H ASP A 5 3.951 -5.262 -8.403 1.00 0.00 H new ATOM 0 HA ASP A 5 1.349 -4.808 -9.277 1.00 0.00 H new ATOM 0 HB2 ASP A 5 2.756 -7.016 -7.782 1.00 0.00 H new ATOM 0 HB3 ASP A 5 1.007 -7.063 -7.868 1.00 0.00 H new ATOM 95 N ILE A 6 1.770 -4.578 -6.000 1.00 0.00 N ATOM 96 CA ILE A 6 1.171 -4.141 -4.750 1.00 0.00 C ATOM 97 C ILE A 6 0.707 -2.697 -4.910 1.00 0.00 C ATOM 98 O ILE A 6 -0.494 -2.441 -4.835 1.00 0.00 O ATOM 99 CB ILE A 6 2.174 -4.299 -3.581 1.00 0.00 C ATOM 100 CG1 ILE A 6 2.523 -5.781 -3.343 1.00 0.00 C ATOM 101 CG2 ILE A 6 1.631 -3.688 -2.272 1.00 0.00 C ATOM 102 CD1 ILE A 6 3.842 -5.941 -2.590 1.00 0.00 C ATOM 0 H ILE A 6 2.760 -4.810 -5.919 1.00 0.00 H new ATOM 0 HA ILE A 6 0.308 -4.762 -4.510 1.00 0.00 H new ATOM 0 HB ILE A 6 3.075 -3.758 -3.870 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.722 -6.256 -2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.587 -6.297 -4.301 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.365 -3.820 -1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.441 -2.625 -2.418 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.702 -4.187 -1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.051 -7.001 -2.443 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.648 -5.489 -3.168 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.770 -5.448 -1.621 1.00 0.00 H new ATOM 114 N ARG A 7 1.624 -1.747 -5.157 1.00 0.00 N ATOM 115 CA ARG A 7 1.244 -0.335 -5.286 1.00 0.00 C ATOM 116 C ARG A 7 0.210 -0.100 -6.381 1.00 0.00 C ATOM 117 O ARG A 7 -0.585 0.837 -6.263 1.00 0.00 O ATOM 118 CB ARG A 7 2.440 0.608 -5.449 1.00 0.00 C ATOM 119 CG ARG A 7 3.262 0.365 -6.708 1.00 0.00 C ATOM 120 CD ARG A 7 4.341 1.435 -6.846 1.00 0.00 C ATOM 121 NE ARG A 7 5.135 1.184 -8.045 1.00 0.00 N ATOM 122 CZ ARG A 7 4.754 1.416 -9.300 1.00 0.00 C ATOM 123 NH1 ARG A 7 3.606 2.024 -9.588 1.00 0.00 N ATOM 124 NH2 ARG A 7 5.563 1.001 -10.257 1.00 0.00 N ATOM 0 H ARG A 7 2.621 -1.930 -5.270 1.00 0.00 H new ATOM 0 HA ARG A 7 0.777 -0.087 -4.333 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.079 1.636 -5.458 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.090 0.506 -4.580 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.722 -0.622 -6.666 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.613 0.378 -7.583 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.882 2.422 -6.902 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.984 1.432 -5.966 1.00 0.00 H new ATOM 0 HE ARG A 7 6.068 0.795 -7.909 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.987 2.328 -8.836 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.345 2.186 -10.561 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.434 0.527 -10.019 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.317 1.154 -11.235 1.00 0.00 H new ATOM 138 N ALA A 8 0.212 -0.916 -7.433 1.00 0.00 N ATOM 139 CA ALA A 8 -0.731 -0.764 -8.517 1.00 0.00 C ATOM 140 C ALA A 8 -2.167 -1.088 -8.083 1.00 0.00 C ATOM 141 O ALA A 8 -3.088 -0.531 -8.677 1.00 0.00 O ATOM 142 CB ALA A 8 -0.249 -1.575 -9.710 1.00 0.00 C ATOM 0 H ALA A 8 0.864 -1.691 -7.549 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.773 0.281 -8.823 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.955 -1.466 -10.533 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.731 -1.215 -10.023 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -0.177 -2.626 -9.430 1.00 0.00 H new ATOM 148 N GLY A 9 -2.402 -1.931 -7.066 1.00 0.00 N ATOM 149 CA GLY A 9 -3.758 -2.220 -6.618 1.00 0.00 C ATOM 150 C GLY A 9 -4.238 -1.080 -5.721 1.00 0.00 C ATOM 151 O GLY A 9 -5.364 -0.603 -5.833 1.00 0.00 O ATOM 0 H GLY A 9 -1.671 -2.418 -6.546 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.422 -2.330 -7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.782 -3.164 -6.073 1.00 0.00 H new ATOM 155 N LEU A 10 -3.337 -0.558 -4.880 1.00 0.00 N ATOM 156 CA LEU A 10 -3.610 0.529 -3.940 1.00 0.00 C ATOM 157 C LEU A 10 -4.160 1.754 -4.644 1.00 0.00 C ATOM 158 O LEU A 10 -5.106 2.366 -4.146 1.00 0.00 O ATOM 159 CB LEU A 10 -2.350 0.963 -3.174 1.00 0.00 C ATOM 160 CG LEU A 10 -1.545 -0.189 -2.569 1.00 0.00 C ATOM 161 CD1 LEU A 10 -0.234 0.246 -1.907 1.00 0.00 C ATOM 162 CD2 LEU A 10 -2.411 -1.036 -1.643 1.00 0.00 C ATOM 0 H LEU A 10 -2.374 -0.891 -4.836 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.347 0.131 -3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.705 1.524 -3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.643 1.644 -2.375 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.235 -0.815 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.277 -0.628 -1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.404 0.730 -2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.449 0.946 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.813 -1.847 -1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.793 -0.415 -0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.246 -1.452 -2.206 1.00 0.00 H new ATOM 174 N ARG A 11 -3.552 2.130 -5.776 1.00 0.00 N ATOM 175 CA ARG A 11 -4.015 3.287 -6.516 1.00 0.00 C ATOM 176 C ARG A 11 -5.438 3.072 -7.025 1.00 0.00 C ATOM 177 O ARG A 11 -6.239 3.998 -6.996 1.00 0.00 O ATOM 178 CB ARG A 11 -3.036 3.677 -7.630 1.00 0.00 C ATOM 179 CG ARG A 11 -2.802 2.606 -8.704 1.00 0.00 C ATOM 180 CD ARG A 11 -2.411 3.213 -10.049 1.00 0.00 C ATOM 181 NE ARG A 11 -3.511 3.996 -10.637 1.00 0.00 N ATOM 182 CZ ARG A 11 -4.518 3.528 -11.383 1.00 0.00 C ATOM 183 NH1 ARG A 11 -4.738 2.225 -11.517 1.00 0.00 N ATOM 184 NH2 ARG A 11 -5.313 4.379 -12.013 1.00 0.00 N ATOM 0 H ARG A 11 -2.750 1.651 -6.187 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.047 4.137 -5.834 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.406 4.580 -8.116 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.077 3.929 -7.177 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.017 1.927 -8.372 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.708 2.012 -8.825 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.538 3.853 -9.919 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.123 2.418 -10.737 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.504 5.000 -10.457 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.132 1.554 -11.045 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.513 1.895 -12.092 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.155 5.383 -11.928 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.083 4.030 -12.584 1.00 0.00 H new ATOM 198 N THR A 12 -5.768 1.858 -7.456 1.00 0.00 N ATOM 199 CA THR A 12 -7.074 1.517 -7.977 1.00 0.00 C ATOM 200 C THR A 12 -8.092 1.591 -6.837 1.00 0.00 C ATOM 201 O THR A 12 -9.207 2.063 -7.050 1.00 0.00 O ATOM 202 CB THR A 12 -6.981 0.139 -8.642 1.00 0.00 C ATOM 203 OG1 THR A 12 -5.847 0.109 -9.499 1.00 0.00 O ATOM 204 CG2 THR A 12 -8.223 -0.184 -9.473 1.00 0.00 C ATOM 0 H THR A 12 -5.117 1.073 -7.450 1.00 0.00 H new ATOM 0 HA THR A 12 -7.413 2.217 -8.741 1.00 0.00 H new ATOM 0 HB THR A 12 -6.897 -0.603 -7.848 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.060 -0.175 -8.990 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.112 -1.170 -9.925 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.103 -0.177 -8.830 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.341 0.564 -10.257 1.00 0.00 H new ATOM 212 N LEU A 13 -7.715 1.173 -5.620 1.00 0.00 N ATOM 213 CA LEU A 13 -8.611 1.232 -4.472 1.00 0.00 C ATOM 214 C LEU A 13 -8.954 2.690 -4.179 1.00 0.00 C ATOM 215 O LEU A 13 -10.135 2.989 -4.031 1.00 0.00 O ATOM 216 CB LEU A 13 -8.016 0.570 -3.218 1.00 0.00 C ATOM 217 CG LEU A 13 -7.858 -0.953 -3.245 1.00 0.00 C ATOM 218 CD1 LEU A 13 -7.215 -1.444 -1.956 1.00 0.00 C ATOM 219 CD2 LEU A 13 -9.167 -1.721 -3.460 1.00 0.00 C ATOM 0 H LEU A 13 -6.792 0.791 -5.412 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.510 0.671 -4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.035 1.009 -3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.645 0.830 -2.367 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.222 -1.156 -4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.110 -2.528 -1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.231 -0.988 -1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.842 -1.168 -1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.964 -2.792 -3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.862 -1.488 -2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.607 -1.430 -4.414 1.00 0.00 H new ATOM 231 N VAL A 14 -7.965 3.596 -4.094 1.00 0.00 N ATOM 232 CA VAL A 14 -8.290 5.005 -3.818 1.00 0.00 C ATOM 233 C VAL A 14 -9.086 5.606 -4.990 1.00 0.00 C ATOM 234 O VAL A 14 -10.013 6.376 -4.761 1.00 0.00 O ATOM 235 CB VAL A 14 -7.062 5.849 -3.407 1.00 0.00 C ATOM 236 CG1 VAL A 14 -6.500 5.376 -2.059 1.00 0.00 C ATOM 237 CG2 VAL A 14 -5.918 5.875 -4.423 1.00 0.00 C ATOM 0 H VAL A 14 -6.972 3.391 -4.207 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.932 5.032 -2.937 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.450 6.866 -3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.637 5.985 -1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.266 5.475 -1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.197 4.332 -2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.106 6.493 -4.041 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.555 4.861 -4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.277 6.290 -5.365 1.00 0.00 H new ATOM 247 N GLU A 15 -8.785 5.217 -6.237 1.00 0.00 N ATOM 248 CA GLU A 15 -9.476 5.691 -7.439 1.00 0.00 C ATOM 249 C GLU A 15 -10.948 5.254 -7.452 1.00 0.00 C ATOM 250 O GLU A 15 -11.754 5.898 -8.120 1.00 0.00 O ATOM 251 CB GLU A 15 -8.787 5.113 -8.689 1.00 0.00 C ATOM 252 CG GLU A 15 -7.476 5.818 -9.097 1.00 0.00 C ATOM 253 CD GLU A 15 -7.581 6.893 -10.185 1.00 0.00 C ATOM 254 OE1 GLU A 15 -8.670 7.129 -10.749 1.00 0.00 O ATOM 255 OE2 GLU A 15 -6.527 7.491 -10.520 1.00 0.00 O ATOM 0 H GLU A 15 -8.039 4.551 -6.440 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.432 6.780 -7.439 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.575 4.058 -8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.484 5.163 -9.525 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.045 6.276 -8.207 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.773 5.058 -9.437 1.00 0.00 H new ATOM 262 N ASN A 16 -11.298 4.168 -6.754 1.00 0.00 N ATOM 263 CA ASN A 16 -12.649 3.620 -6.654 1.00 0.00 C ATOM 264 C ASN A 16 -13.250 3.923 -5.276 1.00 0.00 C ATOM 265 O ASN A 16 -14.292 3.373 -4.924 1.00 0.00 O ATOM 266 CB ASN A 16 -12.624 2.100 -6.909 1.00 0.00 C ATOM 267 CG ASN A 16 -12.496 1.733 -8.378 1.00 0.00 C ATOM 268 OD1 ASN A 16 -13.418 1.178 -8.969 1.00 0.00 O ATOM 269 ND2 ASN A 16 -11.339 1.947 -8.976 1.00 0.00 N ATOM 0 H ASN A 16 -10.617 3.627 -6.222 1.00 0.00 H new ATOM 0 HA ASN A 16 -13.275 4.091 -7.412 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.791 1.661 -6.359 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -13.537 1.658 -6.511 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.202 1.650 -9.942 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -10.582 2.409 -8.472 1.00 0.00 H new ATOM 276 N GLU A 17 -12.575 4.749 -4.469 1.00 0.00 N ATOM 277 CA GLU A 17 -12.944 5.173 -3.121 1.00 0.00 C ATOM 278 C GLU A 17 -13.066 4.019 -2.113 1.00 0.00 C ATOM 279 O GLU A 17 -13.551 4.222 -0.996 1.00 0.00 O ATOM 280 CB GLU A 17 -14.206 6.042 -3.155 1.00 0.00 C ATOM 281 CG GLU A 17 -14.149 7.163 -4.196 1.00 0.00 C ATOM 282 CD GLU A 17 -15.254 8.177 -3.927 1.00 0.00 C ATOM 283 OE1 GLU A 17 -16.449 7.840 -4.071 1.00 0.00 O ATOM 284 OE2 GLU A 17 -14.915 9.315 -3.512 1.00 0.00 O ATOM 0 H GLU A 17 -11.693 5.167 -4.766 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.115 5.777 -2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -15.068 5.408 -3.362 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -14.362 6.480 -2.169 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.177 7.654 -4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.261 6.747 -5.197 1.00 0.00 H new ATOM 291 N GLU A 18 -12.584 2.825 -2.470 1.00 0.00 N ATOM 292 CA GLU A 18 -12.606 1.615 -1.646 1.00 0.00 C ATOM 293 C GLU A 18 -11.802 1.818 -0.356 1.00 0.00 C ATOM 294 O GLU A 18 -11.927 1.060 0.605 1.00 0.00 O ATOM 295 CB GLU A 18 -11.965 0.447 -2.413 1.00 0.00 C ATOM 296 CG GLU A 18 -12.502 0.185 -3.832 1.00 0.00 C ATOM 297 CD GLU A 18 -13.042 -1.237 -4.027 1.00 0.00 C ATOM 298 OE1 GLU A 18 -13.824 -1.752 -3.192 1.00 0.00 O ATOM 299 OE2 GLU A 18 -12.650 -1.875 -5.032 1.00 0.00 O ATOM 0 H GLU A 18 -12.150 2.670 -3.380 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.647 1.398 -1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.893 0.630 -2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.096 -0.461 -1.825 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.296 0.900 -4.050 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.705 0.365 -4.553 1.00 0.00 H new ATOM 306 N THR A 19 -10.908 2.803 -0.358 1.00 0.00 N ATOM 307 CA THR A 19 -10.043 3.171 0.737 1.00 0.00 C ATOM 308 C THR A 19 -9.706 4.664 0.582 1.00 0.00 C ATOM 309 O THR A 19 -10.202 5.343 -0.325 1.00 0.00 O ATOM 310 CB THR A 19 -8.825 2.225 0.725 1.00 0.00 C ATOM 311 OG1 THR A 19 -8.105 2.331 1.932 1.00 0.00 O ATOM 312 CG2 THR A 19 -7.855 2.536 -0.420 1.00 0.00 C ATOM 0 H THR A 19 -10.767 3.395 -1.177 1.00 0.00 H new ATOM 0 HA THR A 19 -10.506 3.056 1.717 1.00 0.00 H new ATOM 0 HB THR A 19 -9.224 1.219 0.593 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.435 1.617 1.977 1.00 0.00 H new ATOM 0 HG21 THR A 19 -7.015 1.842 -0.384 1.00 0.00 H new ATOM 0 HG22 THR A 19 -8.372 2.431 -1.374 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.487 3.557 -0.318 1.00 0.00 H new ATOM 320 N THR A 20 -8.871 5.178 1.481 1.00 0.00 N ATOM 321 CA THR A 20 -8.400 6.552 1.541 1.00 0.00 C ATOM 322 C THR A 20 -6.968 6.464 2.077 1.00 0.00 C ATOM 323 O THR A 20 -6.742 5.671 2.988 1.00 0.00 O ATOM 324 CB THR A 20 -9.324 7.337 2.492 1.00 0.00 C ATOM 325 OG1 THR A 20 -10.686 7.152 2.179 1.00 0.00 O ATOM 326 CG2 THR A 20 -9.057 8.837 2.476 1.00 0.00 C ATOM 0 H THR A 20 -8.483 4.608 2.232 1.00 0.00 H new ATOM 0 HA THR A 20 -8.412 7.064 0.579 1.00 0.00 H new ATOM 0 HB THR A 20 -9.101 6.937 3.481 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.238 7.665 2.806 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.739 9.335 3.165 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.028 9.027 2.782 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.213 9.224 1.469 1.00 0.00 H new ATOM 334 N PHE A 21 -6.014 7.298 1.635 1.00 0.00 N ATOM 335 CA PHE A 21 -4.627 7.220 2.126 1.00 0.00 C ATOM 336 C PHE A 21 -4.542 7.253 3.657 1.00 0.00 C ATOM 337 O PHE A 21 -3.775 6.502 4.258 1.00 0.00 O ATOM 338 CB PHE A 21 -3.776 8.362 1.557 1.00 0.00 C ATOM 339 CG PHE A 21 -3.470 8.295 0.074 1.00 0.00 C ATOM 340 CD1 PHE A 21 -2.830 7.165 -0.471 1.00 0.00 C ATOM 341 CD2 PHE A 21 -3.764 9.389 -0.760 1.00 0.00 C ATOM 342 CE1 PHE A 21 -2.472 7.141 -1.826 1.00 0.00 C ATOM 343 CE2 PHE A 21 -3.430 9.349 -2.123 1.00 0.00 C ATOM 344 CZ PHE A 21 -2.766 8.232 -2.652 1.00 0.00 C ATOM 0 H PHE A 21 -6.175 8.030 0.943 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.239 6.261 1.782 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.287 9.303 1.759 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.832 8.389 2.101 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.614 6.314 0.158 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.248 10.263 -0.350 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.968 6.278 -2.234 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.685 10.179 -2.765 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.482 8.214 -3.694 1.00 0.00 H new ATOM 354 N LYS A 22 -5.340 8.112 4.294 1.00 0.00 N ATOM 355 CA LYS A 22 -5.388 8.240 5.749 1.00 0.00 C ATOM 356 C LYS A 22 -5.848 6.926 6.391 1.00 0.00 C ATOM 357 O LYS A 22 -5.261 6.494 7.384 1.00 0.00 O ATOM 358 CB LYS A 22 -6.326 9.401 6.073 1.00 0.00 C ATOM 359 CG LYS A 22 -6.416 9.751 7.564 1.00 0.00 C ATOM 360 CD LYS A 22 -7.470 10.852 7.686 1.00 0.00 C ATOM 361 CE LYS A 22 -7.750 11.279 9.123 1.00 0.00 C ATOM 362 NZ LYS A 22 -8.683 12.422 9.117 1.00 0.00 N ATOM 0 H LYS A 22 -5.977 8.744 3.808 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.399 8.447 6.158 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.994 10.283 5.525 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.324 9.157 5.709 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.697 8.877 8.152 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.452 10.092 7.942 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.142 11.721 7.116 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.398 10.505 7.232 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.177 10.449 9.685 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.820 11.556 9.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.877 12.717 10.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.258 13.214 8.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.573 12.142 8.657 1.00 0.00 H new ATOM 376 N GLN A 23 -6.881 6.302 5.822 1.00 0.00 N ATOM 377 CA GLN A 23 -7.449 5.048 6.290 1.00 0.00 C ATOM 378 C GLN A 23 -6.396 3.947 6.183 1.00 0.00 C ATOM 379 O GLN A 23 -6.157 3.226 7.151 1.00 0.00 O ATOM 380 CB GLN A 23 -8.702 4.712 5.462 1.00 0.00 C ATOM 381 CG GLN A 23 -9.676 3.807 6.226 1.00 0.00 C ATOM 382 CD GLN A 23 -10.462 4.548 7.307 1.00 0.00 C ATOM 383 OE1 GLN A 23 -10.757 5.738 7.190 1.00 0.00 O ATOM 384 NE2 GLN A 23 -10.794 3.890 8.400 1.00 0.00 N ATOM 0 H GLN A 23 -7.356 6.671 4.998 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.748 5.134 7.335 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.210 5.635 5.183 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.403 4.221 4.536 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -10.375 3.358 5.520 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.119 2.990 6.686 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -10.549 2.904 8.496 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.296 4.366 9.150 1.00 0.00 H new ATOM 393 N ILE A 24 -5.717 3.864 5.036 1.00 0.00 N ATOM 394 CA ILE A 24 -4.677 2.879 4.792 1.00 0.00 C ATOM 395 C ILE A 24 -3.598 3.044 5.850 1.00 0.00 C ATOM 396 O ILE A 24 -3.171 2.061 6.449 1.00 0.00 O ATOM 397 CB ILE A 24 -4.043 3.065 3.399 1.00 0.00 C ATOM 398 CG1 ILE A 24 -5.057 2.881 2.259 1.00 0.00 C ATOM 399 CG2 ILE A 24 -2.898 2.056 3.239 1.00 0.00 C ATOM 400 CD1 ILE A 24 -4.573 3.398 0.902 1.00 0.00 C ATOM 0 H ILE A 24 -5.881 4.489 4.246 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.121 1.885 4.835 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.673 4.088 3.334 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.296 1.822 2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.981 3.395 2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.441 2.177 2.257 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.149 2.230 4.012 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.290 1.043 3.334 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.346 3.231 0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.362 4.465 0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.666 2.867 0.613 1.00 0.00 H new ATOM 412 N ALA A 25 -3.116 4.269 6.063 1.00 0.00 N ATOM 413 CA ALA A 25 -2.072 4.538 7.036 1.00 0.00 C ATOM 414 C ALA A 25 -2.500 4.091 8.430 1.00 0.00 C ATOM 415 O ALA A 25 -1.698 3.513 9.167 1.00 0.00 O ATOM 416 CB ALA A 25 -1.739 6.027 6.993 1.00 0.00 C ATOM 0 H ALA A 25 -3.442 5.097 5.564 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.176 3.968 6.789 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.956 6.246 7.719 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.393 6.294 5.994 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.630 6.606 7.235 1.00 0.00 H new ATOM 422 N LEU A 26 -3.758 4.343 8.793 1.00 0.00 N ATOM 423 CA LEU A 26 -4.296 3.959 10.083 1.00 0.00 C ATOM 424 C LEU A 26 -4.270 2.441 10.235 1.00 0.00 C ATOM 425 O LEU A 26 -3.707 1.929 11.205 1.00 0.00 O ATOM 426 CB LEU A 26 -5.710 4.542 10.253 1.00 0.00 C ATOM 427 CG LEU A 26 -6.341 4.209 11.614 1.00 0.00 C ATOM 428 CD1 LEU A 26 -5.500 4.776 12.762 1.00 0.00 C ATOM 429 CD2 LEU A 26 -7.755 4.786 11.689 1.00 0.00 C ATOM 0 H LEU A 26 -4.429 4.822 8.192 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.675 4.370 10.879 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.666 5.625 10.135 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.352 4.160 9.459 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.380 3.124 11.712 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.968 4.526 13.714 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.499 4.346 12.726 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.433 5.859 12.664 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.195 4.546 12.657 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.713 5.868 11.568 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.366 4.356 10.895 1.00 0.00 H new ATOM 441 N GLU A 27 -4.846 1.723 9.275 1.00 0.00 N ATOM 442 CA GLU A 27 -4.922 0.271 9.290 1.00 0.00 C ATOM 443 C GLU A 27 -3.552 -0.403 9.180 1.00 0.00 C ATOM 444 O GLU A 27 -3.261 -1.312 9.952 1.00 0.00 O ATOM 445 CB GLU A 27 -5.835 -0.208 8.153 1.00 0.00 C ATOM 446 CG GLU A 27 -7.307 0.130 8.400 1.00 0.00 C ATOM 447 CD GLU A 27 -8.198 -0.280 7.225 1.00 0.00 C ATOM 448 OE1 GLU A 27 -8.058 -1.418 6.726 1.00 0.00 O ATOM 449 OE2 GLU A 27 -9.030 0.546 6.799 1.00 0.00 O ATOM 0 H GLU A 27 -5.279 2.144 8.453 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.336 -0.018 10.256 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.513 0.248 7.217 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.728 -1.286 8.036 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.647 -0.374 9.305 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.408 1.201 8.574 1.00 0.00 H new ATOM 456 N SER A 28 -2.703 0.012 8.242 1.00 0.00 N ATOM 457 CA SER A 28 -1.383 -0.580 8.033 1.00 0.00 C ATOM 458 C SER A 28 -0.383 -0.220 9.130 1.00 0.00 C ATOM 459 O SER A 28 0.611 -0.924 9.317 1.00 0.00 O ATOM 460 CB SER A 28 -0.835 -0.108 6.677 1.00 0.00 C ATOM 461 OG SER A 28 -0.657 1.295 6.647 1.00 0.00 O ATOM 0 H SER A 28 -2.914 0.776 7.600 1.00 0.00 H new ATOM 0 HA SER A 28 -1.507 -1.663 8.057 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.117 -0.600 6.477 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.521 -0.405 5.883 1.00 0.00 H new ATOM 0 HG SER A 28 -1.527 1.733 6.540 1.00 0.00 H new ATOM 467 N GLY A 29 -0.634 0.870 9.855 1.00 0.00 N ATOM 468 CA GLY A 29 0.240 1.364 10.903 1.00 0.00 C ATOM 469 C GLY A 29 1.364 2.212 10.304 1.00 0.00 C ATOM 470 O GLY A 29 2.206 2.713 11.047 1.00 0.00 O ATOM 0 H GLY A 29 -1.469 1.441 9.723 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.334 1.959 11.614 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.663 0.526 11.457 1.00 0.00 H new ATOM 474 N LEU A 30 1.438 2.356 8.974 1.00 0.00 N ATOM 475 CA LEU A 30 2.458 3.146 8.292 1.00 0.00 C ATOM 476 C LEU A 30 2.096 4.627 8.380 1.00 0.00 C ATOM 477 O LEU A 30 1.004 5.007 8.826 1.00 0.00 O ATOM 478 CB LEU A 30 2.546 2.747 6.804 1.00 0.00 C ATOM 479 CG LEU A 30 2.968 1.291 6.542 1.00 0.00 C ATOM 480 CD1 LEU A 30 2.695 0.931 5.079 1.00 0.00 C ATOM 481 CD2 LEU A 30 4.456 1.081 6.838 1.00 0.00 C ATOM 0 H LEU A 30 0.776 1.916 8.335 1.00 0.00 H new ATOM 0 HA LEU A 30 3.419 2.960 8.772 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.574 2.916 6.341 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.255 3.409 6.308 1.00 0.00 H new ATOM 0 HG LEU A 30 2.387 0.649 7.204 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.995 -0.101 4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.631 1.042 4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.264 1.595 4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.723 0.042 6.643 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.050 1.734 6.199 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.656 1.317 7.883 1.00 0.00 H new ATOM 493 N SER A 31 3.035 5.483 7.997 1.00 0.00 N ATOM 494 CA SER A 31 2.808 6.912 7.984 1.00 0.00 C ATOM 495 C SER A 31 2.111 7.241 6.662 1.00 0.00 C ATOM 496 O SER A 31 2.361 6.598 5.635 1.00 0.00 O ATOM 497 CB SER A 31 4.144 7.642 8.102 1.00 0.00 C ATOM 498 OG SER A 31 3.969 9.037 8.001 1.00 0.00 O ATOM 0 H SER A 31 3.967 5.203 7.690 1.00 0.00 H new ATOM 0 HA SER A 31 2.187 7.229 8.822 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.612 7.399 9.056 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.820 7.299 7.319 1.00 0.00 H new ATOM 0 HG SER A 31 4.838 9.482 8.081 1.00 0.00 H new ATOM 504 N THR A 32 1.238 8.245 6.671 1.00 0.00 N ATOM 505 CA THR A 32 0.530 8.707 5.484 1.00 0.00 C ATOM 506 C THR A 32 1.563 9.189 4.462 1.00 0.00 C ATOM 507 O THR A 32 1.326 9.094 3.260 1.00 0.00 O ATOM 508 CB THR A 32 -0.423 9.856 5.852 1.00 0.00 C ATOM 509 OG1 THR A 32 0.183 10.650 6.847 1.00 0.00 O ATOM 510 CG2 THR A 32 -1.764 9.361 6.387 1.00 0.00 C ATOM 0 H THR A 32 1.000 8.766 7.515 1.00 0.00 H new ATOM 0 HA THR A 32 -0.060 7.894 5.062 1.00 0.00 H new ATOM 0 HB THR A 32 -0.614 10.423 4.941 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.416 11.387 7.087 1.00 0.00 H new ATOM 0 HG21 THR A 32 -2.396 10.215 6.630 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.255 8.750 5.629 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.600 8.764 7.284 1.00 0.00 H new ATOM 518 N GLY A 33 2.701 9.718 4.922 1.00 0.00 N ATOM 519 CA GLY A 33 3.748 10.191 4.043 1.00 0.00 C ATOM 520 C GLY A 33 4.507 9.036 3.397 1.00 0.00 C ATOM 521 O GLY A 33 5.020 9.208 2.293 1.00 0.00 O ATOM 0 H GLY A 33 2.912 9.825 5.914 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.314 10.821 3.266 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.443 10.813 4.607 1.00 0.00 H new ATOM 525 N THR A 34 4.607 7.886 4.065 1.00 0.00 N ATOM 526 CA THR A 34 5.297 6.709 3.564 1.00 0.00 C ATOM 527 C THR A 34 4.543 6.066 2.402 1.00 0.00 C ATOM 528 O THR A 34 5.145 5.818 1.362 1.00 0.00 O ATOM 529 CB THR A 34 5.495 5.707 4.711 1.00 0.00 C ATOM 530 OG1 THR A 34 6.352 6.273 5.682 1.00 0.00 O ATOM 531 CG2 THR A 34 6.069 4.374 4.227 1.00 0.00 C ATOM 0 H THR A 34 4.199 7.750 4.990 1.00 0.00 H new ATOM 0 HA THR A 34 6.270 7.015 3.181 1.00 0.00 H new ATOM 0 HB THR A 34 4.516 5.499 5.143 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.479 5.637 6.417 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.190 3.701 5.075 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.389 3.926 3.503 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.038 4.544 3.758 1.00 0.00 H new ATOM 539 N ILE A 35 3.240 5.800 2.566 1.00 0.00 N ATOM 540 CA ILE A 35 2.420 5.150 1.545 1.00 0.00 C ATOM 541 C ILE A 35 2.509 5.885 0.212 1.00 0.00 C ATOM 542 O ILE A 35 2.833 5.259 -0.800 1.00 0.00 O ATOM 543 CB ILE A 35 0.973 5.022 2.065 1.00 0.00 C ATOM 544 CG1 ILE A 35 0.936 4.055 3.260 1.00 0.00 C ATOM 545 CG2 ILE A 35 0.007 4.510 0.977 1.00 0.00 C ATOM 546 CD1 ILE A 35 -0.229 4.344 4.196 1.00 0.00 C ATOM 0 H ILE A 35 2.727 6.032 3.416 1.00 0.00 H new ATOM 0 HA ILE A 35 2.799 4.146 1.353 1.00 0.00 H new ATOM 0 HB ILE A 35 0.647 6.018 2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.861 3.031 2.895 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.872 4.128 3.814 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.999 4.436 1.389 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.005 5.204 0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.332 3.527 0.635 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.214 3.636 5.025 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.141 5.359 4.584 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.167 4.244 3.650 1.00 0.00 H new ATOM 558 N SER A 36 2.287 7.197 0.205 1.00 0.00 N ATOM 559 CA SER A 36 2.346 7.968 -1.024 1.00 0.00 C ATOM 560 C SER A 36 3.729 7.866 -1.654 1.00 0.00 C ATOM 561 O SER A 36 3.833 7.670 -2.860 1.00 0.00 O ATOM 562 CB SER A 36 1.914 9.403 -0.757 1.00 0.00 C ATOM 563 OG SER A 36 2.787 10.162 0.059 1.00 0.00 O ATOM 0 H SER A 36 2.065 7.743 1.037 1.00 0.00 H new ATOM 0 HA SER A 36 1.648 7.555 -1.752 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.803 9.914 -1.713 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.930 9.386 -0.288 1.00 0.00 H new ATOM 0 HG SER A 36 2.426 11.066 0.171 1.00 0.00 H new ATOM 569 N SER A 37 4.784 7.961 -0.842 1.00 0.00 N ATOM 570 CA SER A 37 6.165 7.866 -1.301 1.00 0.00 C ATOM 571 C SER A 37 6.414 6.497 -1.947 1.00 0.00 C ATOM 572 O SER A 37 7.065 6.426 -2.985 1.00 0.00 O ATOM 573 CB SER A 37 7.126 8.116 -0.132 1.00 0.00 C ATOM 574 OG SER A 37 8.083 9.111 -0.437 1.00 0.00 O ATOM 0 H SER A 37 4.699 8.108 0.164 1.00 0.00 H new ATOM 0 HA SER A 37 6.347 8.631 -2.056 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.557 8.418 0.747 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.637 7.187 0.122 1.00 0.00 H new ATOM 0 HG SER A 37 8.675 9.242 0.333 1.00 0.00 H new ATOM 580 N PHE A 38 5.916 5.409 -1.355 1.00 0.00 N ATOM 581 CA PHE A 38 6.079 4.060 -1.886 1.00 0.00 C ATOM 582 C PHE A 38 5.394 3.965 -3.253 1.00 0.00 C ATOM 583 O PHE A 38 5.988 3.488 -4.215 1.00 0.00 O ATOM 584 CB PHE A 38 5.522 3.049 -0.874 1.00 0.00 C ATOM 585 CG PHE A 38 5.538 1.605 -1.339 1.00 0.00 C ATOM 586 CD1 PHE A 38 6.685 0.810 -1.155 1.00 0.00 C ATOM 587 CD2 PHE A 38 4.393 1.049 -1.942 1.00 0.00 C ATOM 588 CE1 PHE A 38 6.687 -0.532 -1.576 1.00 0.00 C ATOM 589 CE2 PHE A 38 4.392 -0.296 -2.350 1.00 0.00 C ATOM 590 CZ PHE A 38 5.538 -1.083 -2.174 1.00 0.00 C ATOM 0 H PHE A 38 5.384 5.443 -0.486 1.00 0.00 H new ATOM 0 HA PHE A 38 7.133 3.827 -2.036 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.098 3.125 0.048 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.496 3.326 -0.632 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.564 1.231 -0.690 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.513 1.658 -2.091 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.570 -1.139 -1.441 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.508 -0.723 -2.799 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.540 -2.113 -2.498 1.00 0.00 H new ATOM 600 N ILE A 39 4.153 4.447 -3.356 1.00 0.00 N ATOM 601 CA ILE A 39 3.379 4.434 -4.596 1.00 0.00 C ATOM 602 C ILE A 39 4.103 5.284 -5.660 1.00 0.00 C ATOM 603 O ILE A 39 4.268 4.853 -6.805 1.00 0.00 O ATOM 604 CB ILE A 39 1.936 4.894 -4.288 1.00 0.00 C ATOM 605 CG1 ILE A 39 1.231 3.852 -3.386 1.00 0.00 C ATOM 606 CG2 ILE A 39 1.127 5.078 -5.577 1.00 0.00 C ATOM 607 CD1 ILE A 39 -0.053 4.378 -2.750 1.00 0.00 C ATOM 0 H ILE A 39 3.653 4.862 -2.570 1.00 0.00 H new ATOM 0 HA ILE A 39 3.303 3.430 -5.015 1.00 0.00 H new ATOM 0 HB ILE A 39 1.992 5.853 -3.772 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.999 2.966 -3.978 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.917 3.539 -2.599 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.116 5.402 -5.329 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.606 5.831 -6.203 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.083 4.132 -6.117 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.498 3.599 -2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.176 5.246 -2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.756 4.665 -3.532 1.00 0.00 H new ATOM 619 N ASN A 40 4.575 6.475 -5.277 1.00 0.00 N ATOM 620 CA ASN A 40 5.304 7.411 -6.137 1.00 0.00 C ATOM 621 C ASN A 40 6.646 6.832 -6.583 1.00 0.00 C ATOM 622 O ASN A 40 7.201 7.302 -7.574 1.00 0.00 O ATOM 623 CB ASN A 40 5.650 8.707 -5.365 1.00 0.00 C ATOM 624 CG ASN A 40 4.651 9.836 -5.527 1.00 0.00 C ATOM 625 OD1 ASN A 40 4.005 10.275 -4.574 1.00 0.00 O ATOM 626 ND2 ASN A 40 4.515 10.366 -6.728 1.00 0.00 N ATOM 0 H ASN A 40 4.455 6.825 -4.327 1.00 0.00 H new ATOM 0 HA ASN A 40 4.654 7.605 -6.990 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.737 8.468 -4.305 1.00 0.00 H new ATOM 0 HB3 ASN A 40 6.628 9.058 -5.694 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.872 11.144 -6.872 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.053 9.997 -7.512 1.00 0.00 H new ATOM 633 N ASP A 41 7.137 5.793 -5.902 1.00 0.00 N ATOM 634 CA ASP A 41 8.420 5.128 -6.118 1.00 0.00 C ATOM 635 C ASP A 41 9.489 6.164 -5.749 1.00 0.00 C ATOM 636 O ASP A 41 10.313 6.593 -6.561 1.00 0.00 O ATOM 637 CB ASP A 41 8.560 4.480 -7.502 1.00 0.00 C ATOM 638 CG ASP A 41 9.717 3.484 -7.543 1.00 0.00 C ATOM 639 OD1 ASP A 41 10.894 3.886 -7.407 1.00 0.00 O ATOM 640 OD2 ASP A 41 9.430 2.270 -7.675 1.00 0.00 O ATOM 0 H ASP A 41 6.613 5.368 -5.136 1.00 0.00 H new ATOM 0 HA ASP A 41 8.531 4.250 -5.482 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.632 3.971 -7.761 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.719 5.254 -8.252 1.00 0.00 H new ATOM 645 N LYS A 42 9.393 6.648 -4.507 1.00 0.00 N ATOM 646 CA LYS A 42 10.234 7.651 -3.865 1.00 0.00 C ATOM 647 C LYS A 42 10.616 7.280 -2.432 1.00 0.00 C ATOM 648 O LYS A 42 11.260 8.085 -1.748 1.00 0.00 O ATOM 649 CB LYS A 42 9.467 8.982 -3.879 1.00 0.00 C ATOM 650 CG LYS A 42 9.581 9.715 -5.218 1.00 0.00 C ATOM 651 CD LYS A 42 10.946 10.400 -5.403 1.00 0.00 C ATOM 652 CE LYS A 42 11.972 9.618 -6.237 1.00 0.00 C ATOM 653 NZ LYS A 42 11.567 9.469 -7.646 1.00 0.00 N ATOM 0 H LYS A 42 8.663 6.318 -3.876 1.00 0.00 H new ATOM 0 HA LYS A 42 11.170 7.724 -4.418 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.416 8.793 -3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.847 9.624 -3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.421 9.006 -6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.791 10.463 -5.287 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.785 11.370 -5.874 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.374 10.590 -4.419 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.934 10.128 -6.192 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.114 8.630 -5.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.367 9.103 -8.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.769 8.805 -7.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.278 10.394 -8.024 1.00 0.00 H new ATOM 667 N TYR A 43 10.151 6.145 -1.917 1.00 0.00 N ATOM 668 CA TYR A 43 10.467 5.713 -0.566 1.00 0.00 C ATOM 669 C TYR A 43 11.878 5.138 -0.571 1.00 0.00 C ATOM 670 O TYR A 43 12.091 4.048 -1.091 1.00 0.00 O ATOM 671 CB TYR A 43 9.433 4.710 -0.050 1.00 0.00 C ATOM 672 CG TYR A 43 9.652 4.351 1.404 1.00 0.00 C ATOM 673 CD1 TYR A 43 9.390 5.297 2.415 1.00 0.00 C ATOM 674 CD2 TYR A 43 10.127 3.074 1.751 1.00 0.00 C ATOM 675 CE1 TYR A 43 9.573 4.962 3.770 1.00 0.00 C ATOM 676 CE2 TYR A 43 10.288 2.730 3.101 1.00 0.00 C ATOM 677 CZ TYR A 43 10.006 3.664 4.119 1.00 0.00 C ATOM 678 OH TYR A 43 10.131 3.285 5.421 1.00 0.00 O ATOM 0 H TYR A 43 9.545 5.502 -2.427 1.00 0.00 H new ATOM 0 HA TYR A 43 10.429 6.560 0.120 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.434 5.128 -0.172 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.476 3.805 -0.655 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.047 6.286 2.149 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.368 2.359 0.979 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.383 5.695 4.540 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.631 1.740 3.363 1.00 0.00 H new ATOM 0 HH TYR A 43 10.440 2.356 5.463 1.00 0.00 H new ATOM 688 N ASN A 44 12.838 5.880 -0.017 1.00 0.00 N ATOM 689 CA ASN A 44 14.243 5.478 0.062 1.00 0.00 C ATOM 690 C ASN A 44 14.507 4.547 1.244 1.00 0.00 C ATOM 691 O ASN A 44 15.664 4.216 1.515 1.00 0.00 O ATOM 692 CB ASN A 44 15.144 6.716 0.210 1.00 0.00 C ATOM 693 CG ASN A 44 14.975 7.685 -0.939 1.00 0.00 C ATOM 694 OD1 ASN A 44 15.008 7.289 -2.094 1.00 0.00 O ATOM 695 ND2 ASN A 44 14.800 8.963 -0.668 1.00 0.00 N ATOM 0 H ASN A 44 12.657 6.794 0.397 1.00 0.00 H new ATOM 0 HA ASN A 44 14.471 4.946 -0.862 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.912 7.222 1.147 1.00 0.00 H new ATOM 0 HB3 ASN A 44 16.186 6.401 0.267 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.690 9.635 -1.427 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.774 9.280 0.301 1.00 0.00 H new ATOM 702 N GLY A 45 13.476 4.228 2.024 1.00 0.00 N ATOM 703 CA GLY A 45 13.575 3.353 3.170 1.00 0.00 C ATOM 704 C GLY A 45 13.530 1.903 2.711 1.00 0.00 C ATOM 705 O GLY A 45 13.861 1.586 1.569 1.00 0.00 O ATOM 0 H GLY A 45 12.533 4.583 1.866 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.503 3.546 3.708 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.757 3.551 3.863 1.00 0.00 H new ATOM 709 N ASP A 46 13.167 1.007 3.622 1.00 0.00 N ATOM 710 CA ASP A 46 13.067 -0.419 3.343 1.00 0.00 C ATOM 711 C ASP A 46 11.792 -0.654 2.542 1.00 0.00 C ATOM 712 O ASP A 46 10.703 -0.808 3.105 1.00 0.00 O ATOM 713 CB ASP A 46 13.087 -1.235 4.637 1.00 0.00 C ATOM 714 CG ASP A 46 14.445 -1.143 5.313 1.00 0.00 C ATOM 715 OD1 ASP A 46 15.435 -1.623 4.720 1.00 0.00 O ATOM 716 OD2 ASP A 46 14.525 -0.446 6.358 1.00 0.00 O ATOM 0 H ASP A 46 12.932 1.253 4.583 1.00 0.00 H new ATOM 0 HA ASP A 46 13.926 -0.751 2.760 1.00 0.00 H new ATOM 0 HB2 ASP A 46 12.314 -0.871 5.314 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.855 -2.277 4.418 1.00 0.00 H new ATOM 721 N ASN A 47 11.916 -0.635 1.215 1.00 0.00 N ATOM 722 CA ASN A 47 10.809 -0.840 0.295 1.00 0.00 C ATOM 723 C ASN A 47 10.123 -2.169 0.575 1.00 0.00 C ATOM 724 O ASN A 47 8.897 -2.210 0.518 1.00 0.00 O ATOM 725 CB ASN A 47 11.263 -0.764 -1.169 1.00 0.00 C ATOM 726 CG ASN A 47 11.668 0.642 -1.574 1.00 0.00 C ATOM 727 OD1 ASN A 47 12.840 0.936 -1.778 1.00 0.00 O ATOM 728 ND2 ASN A 47 10.713 1.549 -1.678 1.00 0.00 N ATOM 0 H ASN A 47 12.807 -0.473 0.746 1.00 0.00 H new ATOM 0 HA ASN A 47 10.093 -0.034 0.457 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.104 -1.440 -1.322 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.456 -1.108 -1.816 1.00 0.00 H new ATOM 0 HD21 ASN A 47 10.947 2.509 -1.931 1.00 0.00 H new ATOM 0 HD22 ASN A 47 9.742 1.289 -1.505 1.00 0.00 H new ATOM 735 N GLU A 48 10.874 -3.229 0.886 1.00 0.00 N ATOM 736 CA GLU A 48 10.301 -4.540 1.182 1.00 0.00 C ATOM 737 C GLU A 48 9.520 -4.483 2.494 1.00 0.00 C ATOM 738 O GLU A 48 8.410 -5.000 2.574 1.00 0.00 O ATOM 739 CB GLU A 48 11.389 -5.612 1.282 1.00 0.00 C ATOM 740 CG GLU A 48 12.042 -5.916 -0.067 1.00 0.00 C ATOM 741 CD GLU A 48 12.952 -7.130 0.063 1.00 0.00 C ATOM 742 OE1 GLU A 48 13.939 -7.075 0.826 1.00 0.00 O ATOM 743 OE2 GLU A 48 12.673 -8.168 -0.583 1.00 0.00 O ATOM 0 H GLU A 48 11.892 -3.201 0.939 1.00 0.00 H new ATOM 0 HA GLU A 48 9.630 -4.805 0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.154 -5.283 1.986 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.956 -6.527 1.686 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.275 -6.104 -0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.616 -5.054 -0.406 1.00 0.00 H new ATOM 750 N ARG A 49 10.063 -3.844 3.536 1.00 0.00 N ATOM 751 CA ARG A 49 9.379 -3.725 4.826 1.00 0.00 C ATOM 752 C ARG A 49 8.014 -3.070 4.608 1.00 0.00 C ATOM 753 O ARG A 49 7.012 -3.489 5.195 1.00 0.00 O ATOM 754 CB ARG A 49 10.264 -2.906 5.773 1.00 0.00 C ATOM 755 CG ARG A 49 9.815 -2.898 7.237 1.00 0.00 C ATOM 756 CD ARG A 49 10.566 -1.768 7.951 1.00 0.00 C ATOM 757 NE ARG A 49 10.325 -1.760 9.401 1.00 0.00 N ATOM 758 CZ ARG A 49 10.589 -0.728 10.211 1.00 0.00 C ATOM 759 NH1 ARG A 49 11.069 0.407 9.725 1.00 0.00 N ATOM 760 NH2 ARG A 49 10.371 -0.836 11.515 1.00 0.00 N ATOM 0 H ARG A 49 10.980 -3.399 3.509 1.00 0.00 H new ATOM 0 HA ARG A 49 9.211 -4.703 5.276 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.281 -3.296 5.723 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.299 -1.877 5.414 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.738 -2.744 7.305 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.030 -3.857 7.708 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.635 -1.872 7.764 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.260 -0.810 7.530 1.00 0.00 H new ATOM 0 HE ARG A 49 9.928 -2.601 9.820 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.241 0.501 8.724 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.267 1.187 10.352 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.002 -1.706 11.900 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.572 -0.050 12.133 1.00 0.00 H new ATOM 774 N VAL A 50 7.963 -2.022 3.784 1.00 0.00 N ATOM 775 CA VAL A 50 6.722 -1.328 3.480 1.00 0.00 C ATOM 776 C VAL A 50 5.837 -2.238 2.632 1.00 0.00 C ATOM 777 O VAL A 50 4.674 -2.414 2.991 1.00 0.00 O ATOM 778 CB VAL A 50 7.021 0.030 2.820 1.00 0.00 C ATOM 779 CG1 VAL A 50 5.762 0.734 2.301 1.00 0.00 C ATOM 780 CG2 VAL A 50 7.666 0.938 3.868 1.00 0.00 C ATOM 0 H VAL A 50 8.781 -1.636 3.313 1.00 0.00 H new ATOM 0 HA VAL A 50 6.171 -1.103 4.393 1.00 0.00 H new ATOM 0 HB VAL A 50 7.674 -0.158 1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.038 1.686 1.847 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.274 0.105 1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.077 0.913 3.130 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.887 1.908 3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.981 1.071 4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.590 0.483 4.224 1.00 0.00 H new ATOM 790 N SER A 51 6.360 -2.844 1.562 1.00 0.00 N ATOM 791 CA SER A 51 5.586 -3.719 0.686 1.00 0.00 C ATOM 792 C SER A 51 4.906 -4.824 1.495 1.00 0.00 C ATOM 793 O SER A 51 3.697 -4.996 1.382 1.00 0.00 O ATOM 794 CB SER A 51 6.425 -4.226 -0.500 1.00 0.00 C ATOM 795 OG SER A 51 7.203 -5.366 -0.211 1.00 0.00 O ATOM 0 H SER A 51 7.335 -2.739 1.281 1.00 0.00 H new ATOM 0 HA SER A 51 4.782 -3.142 0.229 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.758 -4.456 -1.331 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.084 -3.425 -0.833 1.00 0.00 H new ATOM 0 HG SER A 51 7.551 -5.301 0.703 1.00 0.00 H new ATOM 801 N GLN A 52 5.630 -5.503 2.388 1.00 0.00 N ATOM 802 CA GLN A 52 5.104 -6.570 3.233 1.00 0.00 C ATOM 803 C GLN A 52 3.990 -6.063 4.155 1.00 0.00 C ATOM 804 O GLN A 52 3.072 -6.813 4.503 1.00 0.00 O ATOM 805 CB GLN A 52 6.252 -7.170 4.061 1.00 0.00 C ATOM 806 CG GLN A 52 7.226 -7.991 3.203 1.00 0.00 C ATOM 807 CD GLN A 52 6.526 -9.181 2.557 1.00 0.00 C ATOM 808 OE1 GLN A 52 5.971 -10.040 3.242 1.00 0.00 O ATOM 809 NE2 GLN A 52 6.504 -9.249 1.239 1.00 0.00 N ATOM 0 H GLN A 52 6.621 -5.319 2.545 1.00 0.00 H new ATOM 0 HA GLN A 52 4.670 -7.337 2.592 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.797 -6.367 4.557 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.838 -7.805 4.844 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.657 -7.356 2.429 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.051 -8.344 3.822 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.968 -8.530 0.683 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.023 -10.020 0.776 1.00 0.00 H new ATOM 818 N THR A 53 4.070 -4.810 4.600 1.00 0.00 N ATOM 819 CA THR A 53 3.061 -4.215 5.466 1.00 0.00 C ATOM 820 C THR A 53 1.805 -3.930 4.631 1.00 0.00 C ATOM 821 O THR A 53 0.684 -4.177 5.078 1.00 0.00 O ATOM 822 CB THR A 53 3.644 -2.970 6.153 1.00 0.00 C ATOM 823 OG1 THR A 53 4.872 -3.286 6.787 1.00 0.00 O ATOM 824 CG2 THR A 53 2.703 -2.450 7.239 1.00 0.00 C ATOM 0 H THR A 53 4.838 -4.180 4.368 1.00 0.00 H new ATOM 0 HA THR A 53 2.767 -4.895 6.266 1.00 0.00 H new ATOM 0 HB THR A 53 3.784 -2.216 5.379 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.614 -3.090 6.178 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.141 -1.569 7.708 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.744 -2.185 6.793 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.552 -3.224 7.991 1.00 0.00 H new ATOM 832 N LEU A 54 1.986 -3.424 3.407 1.00 0.00 N ATOM 833 CA LEU A 54 0.895 -3.114 2.491 1.00 0.00 C ATOM 834 C LEU A 54 0.227 -4.412 2.042 1.00 0.00 C ATOM 835 O LEU A 54 -0.996 -4.439 1.948 1.00 0.00 O ATOM 836 CB LEU A 54 1.413 -2.297 1.296 1.00 0.00 C ATOM 837 CG LEU A 54 1.963 -0.916 1.702 1.00 0.00 C ATOM 838 CD1 LEU A 54 2.722 -0.285 0.537 1.00 0.00 C ATOM 839 CD2 LEU A 54 0.868 0.052 2.149 1.00 0.00 C ATOM 0 H LEU A 54 2.908 -3.217 3.024 1.00 0.00 H new ATOM 0 HA LEU A 54 0.150 -2.503 3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.198 -2.860 0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.605 -2.163 0.577 1.00 0.00 H new ATOM 0 HG LEU A 54 2.628 -1.089 2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.105 0.690 0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.554 -0.930 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.050 -0.164 -0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.316 1.007 2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.161 0.203 1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.345 -0.363 3.010 1.00 0.00 H new ATOM 851 N GLN A 55 1.010 -5.474 1.838 1.00 0.00 N ATOM 852 CA GLN A 55 0.578 -6.804 1.432 1.00 0.00 C ATOM 853 C GLN A 55 -0.439 -7.327 2.432 1.00 0.00 C ATOM 854 O GLN A 55 -1.566 -7.618 2.056 1.00 0.00 O ATOM 855 CB GLN A 55 1.792 -7.752 1.354 1.00 0.00 C ATOM 856 CG GLN A 55 2.548 -7.622 0.034 1.00 0.00 C ATOM 857 CD GLN A 55 1.974 -8.579 -1.005 1.00 0.00 C ATOM 858 OE1 GLN A 55 0.859 -8.420 -1.475 1.00 0.00 O ATOM 859 NE2 GLN A 55 2.694 -9.608 -1.389 1.00 0.00 N ATOM 0 H GLN A 55 2.021 -5.420 1.960 1.00 0.00 H new ATOM 0 HA GLN A 55 0.117 -6.753 0.446 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.470 -7.539 2.180 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.454 -8.781 1.476 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.482 -6.597 -0.331 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.605 -7.837 0.191 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.627 -9.750 -1.002 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.320 -10.265 -2.074 1.00 0.00 H new ATOM 868 N ARG A 56 -0.066 -7.426 3.715 1.00 0.00 N ATOM 869 CA ARG A 56 -0.992 -7.925 4.736 1.00 0.00 C ATOM 870 C ARG A 56 -2.286 -7.127 4.785 1.00 0.00 C ATOM 871 O ARG A 56 -3.354 -7.700 5.002 1.00 0.00 O ATOM 872 CB ARG A 56 -0.320 -7.953 6.108 1.00 0.00 C ATOM 873 CG ARG A 56 0.592 -9.179 6.182 1.00 0.00 C ATOM 874 CD ARG A 56 0.950 -9.564 7.618 1.00 0.00 C ATOM 875 NE ARG A 56 1.407 -10.962 7.660 1.00 0.00 N ATOM 876 CZ ARG A 56 0.614 -12.032 7.513 1.00 0.00 C ATOM 877 NH1 ARG A 56 -0.710 -11.923 7.609 1.00 0.00 N ATOM 878 NH2 ARG A 56 1.148 -13.202 7.196 1.00 0.00 N ATOM 0 H ARG A 56 0.857 -7.171 4.066 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.258 -8.944 4.455 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.258 -7.042 6.264 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.072 -7.993 6.896 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.100 -10.022 5.696 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.507 -8.980 5.625 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.731 -8.905 7.997 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.083 -9.436 8.266 1.00 0.00 H new ATOM 0 HE ARG A 56 2.402 -11.129 7.812 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.135 -11.015 7.797 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.299 -12.748 7.494 1.00 0.00 H new ATOM 0 HH21 ARG A 56 2.156 -13.284 7.066 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.551 -14.021 7.082 1.00 0.00 H new ATOM 892 N TRP A 57 -2.190 -5.815 4.570 1.00 0.00 N ATOM 893 CA TRP A 57 -3.374 -4.979 4.566 1.00 0.00 C ATOM 894 C TRP A 57 -4.240 -5.340 3.345 1.00 0.00 C ATOM 895 O TRP A 57 -5.432 -5.574 3.515 1.00 0.00 O ATOM 896 CB TRP A 57 -2.958 -3.507 4.600 1.00 0.00 C ATOM 897 CG TRP A 57 -4.105 -2.573 4.442 1.00 0.00 C ATOM 898 CD1 TRP A 57 -4.946 -2.187 5.422 1.00 0.00 C ATOM 899 CD2 TRP A 57 -4.654 -2.024 3.210 1.00 0.00 C ATOM 900 NE1 TRP A 57 -5.946 -1.403 4.890 1.00 0.00 N ATOM 901 CE2 TRP A 57 -5.794 -1.236 3.532 1.00 0.00 C ATOM 902 CE3 TRP A 57 -4.321 -2.147 1.846 1.00 0.00 C ATOM 903 CZ2 TRP A 57 -6.537 -0.564 2.553 1.00 0.00 C ATOM 904 CZ3 TRP A 57 -5.060 -1.479 0.855 1.00 0.00 C ATOM 905 CH2 TRP A 57 -6.166 -0.688 1.204 1.00 0.00 C ATOM 0 H TRP A 57 -1.314 -5.320 4.399 1.00 0.00 H new ATOM 0 HA TRP A 57 -3.982 -5.153 5.453 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.455 -3.299 5.545 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -2.234 -3.322 3.806 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -4.851 -2.452 6.465 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -6.706 -0.996 5.435 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -3.484 -2.765 1.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -7.386 0.043 2.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -4.775 -1.575 -0.182 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -6.730 -0.177 0.438 1.00 0.00 H new ATOM 916 N LEU A 58 -3.655 -5.422 2.143 1.00 0.00 N ATOM 917 CA LEU A 58 -4.375 -5.745 0.909 1.00 0.00 C ATOM 918 C LEU A 58 -4.982 -7.143 0.979 1.00 0.00 C ATOM 919 O LEU A 58 -6.092 -7.339 0.497 1.00 0.00 O ATOM 920 CB LEU A 58 -3.459 -5.624 -0.328 1.00 0.00 C ATOM 921 CG LEU A 58 -3.954 -4.584 -1.349 1.00 0.00 C ATOM 922 CD1 LEU A 58 -2.954 -4.362 -2.487 1.00 0.00 C ATOM 923 CD2 LEU A 58 -5.266 -4.955 -2.016 1.00 0.00 C ATOM 0 H LEU A 58 -2.657 -5.264 2.001 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.182 -5.020 0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.454 -5.355 -0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.387 -6.596 -0.815 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.082 -3.685 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.350 -3.620 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.009 -4.007 -2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.790 -5.301 -3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.549 -4.174 -2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.150 -5.899 -2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.043 -5.059 -1.258 1.00 0.00 H new ATOM 935 N GLU A 59 -4.282 -8.091 1.604 1.00 0.00 N ATOM 936 CA GLU A 59 -4.700 -9.474 1.778 1.00 0.00 C ATOM 937 C GLU A 59 -6.046 -9.495 2.495 1.00 0.00 C ATOM 938 O GLU A 59 -6.953 -10.190 2.030 1.00 0.00 O ATOM 939 CB GLU A 59 -3.616 -10.269 2.534 1.00 0.00 C ATOM 940 CG GLU A 59 -2.491 -10.697 1.575 1.00 0.00 C ATOM 941 CD GLU A 59 -1.234 -11.267 2.246 1.00 0.00 C ATOM 942 OE1 GLU A 59 -1.129 -11.330 3.493 1.00 0.00 O ATOM 943 OE2 GLU A 59 -0.304 -11.644 1.489 1.00 0.00 O ATOM 0 H GLU A 59 -3.369 -7.903 2.019 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.824 -9.959 0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.204 -9.659 3.338 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.060 -11.149 2.998 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.887 -11.446 0.889 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.202 -9.835 0.974 1.00 0.00 H new ATOM 950 N LYS A 60 -6.200 -8.772 3.614 1.00 0.00 N ATOM 951 CA LYS A 60 -7.482 -8.741 4.314 1.00 0.00 C ATOM 952 C LYS A 60 -8.509 -7.916 3.540 1.00 0.00 C ATOM 953 O LYS A 60 -9.699 -8.216 3.605 1.00 0.00 O ATOM 954 CB LYS A 60 -7.346 -8.316 5.782 1.00 0.00 C ATOM 955 CG LYS A 60 -6.778 -6.917 6.063 1.00 0.00 C ATOM 956 CD LYS A 60 -7.200 -6.467 7.466 1.00 0.00 C ATOM 957 CE LYS A 60 -6.404 -5.269 7.990 1.00 0.00 C ATOM 958 NZ LYS A 60 -5.171 -5.682 8.696 1.00 0.00 N ATOM 0 H LYS A 60 -5.464 -8.212 4.044 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.859 -9.763 4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.332 -8.378 6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.711 -9.045 6.286 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.691 -6.932 5.986 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.141 -6.209 5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.259 -6.211 7.453 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.082 -7.302 8.157 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.142 -4.617 7.157 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.030 -4.687 8.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.665 -4.838 9.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.420 -6.283 9.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.560 -6.215 8.045 1.00 0.00 H new ATOM 972 N TYR A 61 -8.075 -6.882 2.816 1.00 0.00 N ATOM 973 CA TYR A 61 -8.968 -6.037 2.033 1.00 0.00 C ATOM 974 C TYR A 61 -9.680 -6.876 0.968 1.00 0.00 C ATOM 975 O TYR A 61 -10.902 -6.859 0.885 1.00 0.00 O ATOM 976 CB TYR A 61 -8.190 -4.856 1.423 1.00 0.00 C ATOM 977 CG TYR A 61 -8.840 -3.532 1.737 1.00 0.00 C ATOM 978 CD1 TYR A 61 -8.748 -3.022 3.044 1.00 0.00 C ATOM 979 CD2 TYR A 61 -9.581 -2.844 0.761 1.00 0.00 C ATOM 980 CE1 TYR A 61 -9.431 -1.849 3.396 1.00 0.00 C ATOM 981 CE2 TYR A 61 -10.260 -1.662 1.103 1.00 0.00 C ATOM 982 CZ TYR A 61 -10.216 -1.177 2.431 1.00 0.00 C ATOM 983 OH TYR A 61 -10.955 -0.096 2.803 1.00 0.00 O ATOM 0 H TYR A 61 -7.094 -6.610 2.759 1.00 0.00 H new ATOM 0 HA TYR A 61 -9.734 -5.614 2.683 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -7.169 -4.858 1.804 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -8.127 -4.982 0.342 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.148 -3.536 3.780 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -9.629 -3.223 -0.249 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.358 -1.460 4.401 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.816 -1.123 0.350 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.529 0.180 2.058 1.00 0.00 H new ATOM 993 N HIS A 62 -8.917 -7.637 0.183 1.00 0.00 N ATOM 994 CA HIS A 62 -9.422 -8.498 -0.883 1.00 0.00 C ATOM 995 C HIS A 62 -10.036 -9.828 -0.408 1.00 0.00 C ATOM 996 O HIS A 62 -10.354 -10.664 -1.261 1.00 0.00 O ATOM 997 CB HIS A 62 -8.276 -8.750 -1.880 1.00 0.00 C ATOM 998 CG HIS A 62 -8.211 -7.712 -2.965 1.00 0.00 C ATOM 999 ND1 HIS A 62 -8.024 -6.366 -2.814 1.00 0.00 N flip ATOM 1000 CD2 HIS A 62 -8.376 -7.960 -4.305 1.00 0.00 C flip ATOM 1001 CE1 HIS A 62 -8.052 -5.787 -4.089 1.00 0.00 C flip ATOM 1002 NE2 HIS A 62 -8.289 -6.793 -4.952 1.00 0.00 N flip ATOM 0 H HIS A 62 -7.902 -7.671 0.275 1.00 0.00 H new ATOM 0 HA HIS A 62 -10.253 -7.972 -1.353 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -7.329 -8.766 -1.341 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -8.403 -9.734 -2.332 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -8.546 -8.926 -4.757 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -7.912 -4.744 -4.331 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -8.389 -6.680 -5.961 1.00 0.00 H new ATOM 1010 N ALA A 63 -10.178 -10.093 0.894 1.00 0.00 N ATOM 1011 CA ALA A 63 -10.741 -11.345 1.388 1.00 0.00 C ATOM 1012 C ALA A 63 -11.746 -11.060 2.482 1.00 0.00 C ATOM 1013 O ALA A 63 -12.947 -10.965 2.172 1.00 0.00 O ATOM 1014 CB ALA A 63 -9.612 -12.268 1.855 1.00 0.00 C ATOM 0 H ALA A 63 -9.905 -9.444 1.632 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.273 -11.860 0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.035 -13.203 2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.944 -12.477 1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.053 -11.783 2.655 1.00 0.00 H new