USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 416 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 SER OG : rot -40:sc= 1.28 USER MOD Set 1.2: A 31 LYS NZ :NH3+ -144:sc= 1.2 (180deg=-0.172) USER MOD Set 2.1: A 24 TYR OH : rot 180:sc= -0.0127 USER MOD Set 2.2: A 26 ASN : amide:sc= 0.0711 K(o=0.058,f=-6.8!) USER MOD Single : A 5 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00769) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0396) USER MOD Single : A 19 HIS : no HD1:sc= -0.186 X(o=-0.19,f=-0.09) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.246 USER MOD Single : A 30 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.27) USER MOD Single : A 33 LYS NZ :NH3+ -138:sc= -0.0235 (180deg=-1.23) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.38 K(o=-1.4,f=-3.3) USER MOD Single : A 45 ASN : amide:sc= -0.542 K(o=-0.54,f=-4.9!) USER MOD Single : A 46 ASN : amide:sc= -0.41 K(o=-0.41,f=-2.7!) USER MOD Single : A 49 THR OG1 : rot 23:sc= 1.09 USER MOD Single : A 55 HIS : no HD1:sc= -0.0728 X(o=-0.073,f=0) USER MOD Single : A 56 THR OG1 : rot -162:sc= 0.677 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 27.673 30.944 38.086 1.00 0.00 N ATOM 16 CA ASP A 2 27.132 32.130 37.388 1.00 0.00 C ATOM 17 C ASP A 2 28.213 33.144 36.923 1.00 0.00 C ATOM 18 O ASP A 2 27.929 34.123 36.229 1.00 0.00 O ATOM 19 CB ASP A 2 26.192 32.865 38.342 1.00 0.00 C ATOM 20 CG ASP A 2 25.067 31.985 38.878 1.00 0.00 C ATOM 21 OD1 ASP A 2 23.945 32.081 38.335 1.00 0.00 O ATOM 22 OD2 ASP A 2 25.358 31.299 39.882 1.00 0.00 O ATOM 0 HA ASP A 2 26.631 31.758 36.494 1.00 0.00 H new ATOM 0 HB2 ASP A 2 26.769 33.256 39.180 1.00 0.00 H new ATOM 0 HB3 ASP A 2 25.759 33.722 37.826 1.00 0.00 H new ATOM 27 N ARG A 3 29.462 32.910 37.364 1.00 0.00 N ATOM 28 CA ARG A 3 30.649 33.755 37.227 1.00 0.00 C ATOM 29 C ARG A 3 31.768 32.918 36.576 1.00 0.00 C ATOM 30 O ARG A 3 31.656 31.697 36.530 1.00 0.00 O ATOM 31 CB ARG A 3 31.111 34.282 38.605 1.00 0.00 C ATOM 32 CG ARG A 3 30.018 34.643 39.611 1.00 0.00 C ATOM 33 CD ARG A 3 29.512 33.459 40.431 1.00 0.00 C ATOM 34 NE ARG A 3 28.431 33.884 41.325 1.00 0.00 N ATOM 35 CZ ARG A 3 28.041 33.270 42.421 1.00 0.00 C ATOM 36 NH1 ARG A 3 28.687 32.252 42.900 1.00 0.00 N ATOM 37 NH2 ARG A 3 26.992 33.685 43.077 1.00 0.00 N ATOM 0 H ARG A 3 29.679 32.050 37.868 1.00 0.00 H new ATOM 0 HA ARG A 3 30.413 34.618 36.604 1.00 0.00 H new ATOM 0 HB2 ARG A 3 31.753 33.527 39.059 1.00 0.00 H new ATOM 0 HB3 ARG A 3 31.726 35.167 38.441 1.00 0.00 H new ATOM 0 HG2 ARG A 3 30.401 35.405 40.290 1.00 0.00 H new ATOM 0 HG3 ARG A 3 29.178 35.086 39.076 1.00 0.00 H new ATOM 0 HD2 ARG A 3 29.155 32.673 39.765 1.00 0.00 H new ATOM 0 HD3 ARG A 3 30.330 33.036 41.014 1.00 0.00 H new ATOM 0 HE ARG A 3 27.933 34.738 41.073 1.00 0.00 H new ATOM 0 HH11 ARG A 3 29.521 31.908 42.425 1.00 0.00 H new ATOM 0 HH12 ARG A 3 28.361 31.796 43.752 1.00 0.00 H new ATOM 0 HH21 ARG A 3 26.467 34.492 42.741 1.00 0.00 H new ATOM 0 HH22 ARG A 3 26.697 33.202 43.926 1.00 0.00 H new ATOM 51 N PRO A 4 32.863 33.520 36.090 1.00 0.00 N ATOM 52 CA PRO A 4 33.915 32.754 35.430 1.00 0.00 C ATOM 53 C PRO A 4 34.715 31.905 36.428 1.00 0.00 C ATOM 54 O PRO A 4 35.022 32.354 37.523 1.00 0.00 O ATOM 55 CB PRO A 4 34.779 33.794 34.721 1.00 0.00 C ATOM 56 CG PRO A 4 34.580 35.084 35.510 1.00 0.00 C ATOM 57 CD PRO A 4 33.217 34.936 36.171 1.00 0.00 C ATOM 0 HA PRO A 4 33.509 32.030 34.723 1.00 0.00 H new ATOM 0 HB2 PRO A 4 35.827 33.495 34.712 1.00 0.00 H new ATOM 0 HB3 PRO A 4 34.474 33.917 33.682 1.00 0.00 H new ATOM 0 HG2 PRO A 4 35.366 35.217 36.253 1.00 0.00 H new ATOM 0 HG3 PRO A 4 34.609 35.955 34.856 1.00 0.00 H new ATOM 0 HD2 PRO A 4 33.252 35.267 37.209 1.00 0.00 H new ATOM 0 HD3 PRO A 4 32.473 35.551 35.665 1.00 0.00 H new ATOM 65 N LYS A 5 35.151 30.715 36.010 1.00 0.00 N ATOM 66 CA LYS A 5 36.007 29.847 36.844 1.00 0.00 C ATOM 67 C LYS A 5 37.417 30.390 37.044 1.00 0.00 C ATOM 68 O LYS A 5 38.037 30.147 38.068 1.00 0.00 O ATOM 69 CB LYS A 5 36.040 28.411 36.287 1.00 0.00 C ATOM 70 CG LYS A 5 36.891 28.255 35.018 1.00 0.00 C ATOM 71 CD LYS A 5 36.973 26.793 34.568 1.00 0.00 C ATOM 72 CE LYS A 5 37.834 26.617 33.300 1.00 0.00 C ATOM 73 NZ LYS A 5 39.275 26.910 33.534 1.00 0.00 N ATOM 0 H LYS A 5 34.928 30.323 35.095 1.00 0.00 H new ATOM 0 HA LYS A 5 35.550 29.832 37.834 1.00 0.00 H new ATOM 0 HB2 LYS A 5 36.426 27.742 37.056 1.00 0.00 H new ATOM 0 HB3 LYS A 5 35.020 28.092 36.070 1.00 0.00 H new ATOM 0 HG2 LYS A 5 36.465 28.859 34.217 1.00 0.00 H new ATOM 0 HG3 LYS A 5 37.895 28.636 35.204 1.00 0.00 H new ATOM 0 HD2 LYS A 5 37.391 26.190 35.374 1.00 0.00 H new ATOM 0 HD3 LYS A 5 35.968 26.417 34.377 1.00 0.00 H new ATOM 0 HE2 LYS A 5 37.731 25.595 32.935 1.00 0.00 H new ATOM 0 HE3 LYS A 5 37.457 27.275 32.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 39.810 26.743 32.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 39.385 27.903 33.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 39.638 26.289 34.285 1.00 0.00 H new ATOM 87 N PHE A 6 37.937 31.167 36.083 1.00 0.00 N ATOM 88 CA PHE A 6 39.265 31.769 36.202 1.00 0.00 C ATOM 89 C PHE A 6 39.321 32.816 37.327 1.00 0.00 C ATOM 90 O PHE A 6 40.396 33.109 37.818 1.00 0.00 O ATOM 91 CB PHE A 6 39.737 32.331 34.864 1.00 0.00 C ATOM 92 CG PHE A 6 38.845 33.389 34.240 1.00 0.00 C ATOM 93 CD1 PHE A 6 38.811 34.684 34.782 1.00 0.00 C ATOM 94 CD2 PHE A 6 38.084 33.080 33.096 1.00 0.00 C ATOM 95 CE1 PHE A 6 37.994 35.672 34.198 1.00 0.00 C ATOM 96 CE2 PHE A 6 37.289 34.076 32.493 1.00 0.00 C ATOM 97 CZ PHE A 6 37.243 35.372 33.055 1.00 0.00 C ATOM 0 H PHE A 6 37.453 31.391 35.214 1.00 0.00 H new ATOM 0 HA PHE A 6 39.961 30.979 36.483 1.00 0.00 H new ATOM 0 HB2 PHE A 6 40.732 32.756 35.000 1.00 0.00 H new ATOM 0 HB3 PHE A 6 39.837 31.505 34.159 1.00 0.00 H new ATOM 0 HD1 PHE A 6 39.412 34.923 35.647 1.00 0.00 H new ATOM 0 HD2 PHE A 6 38.109 32.083 32.682 1.00 0.00 H new ATOM 0 HE1 PHE A 6 37.947 36.660 34.632 1.00 0.00 H new ATOM 0 HE2 PHE A 6 36.717 33.850 31.605 1.00 0.00 H new ATOM 0 HZ PHE A 6 36.626 36.134 32.601 1.00 0.00 H new ATOM 107 N CYS A 7 38.162 33.306 37.789 1.00 0.00 N ATOM 108 CA CYS A 7 38.057 34.159 38.967 1.00 0.00 C ATOM 109 C CYS A 7 38.481 33.462 40.265 1.00 0.00 C ATOM 110 O CYS A 7 38.742 34.128 41.256 1.00 0.00 O ATOM 111 CB CYS A 7 36.593 34.620 39.039 1.00 0.00 C ATOM 112 SG CYS A 7 36.193 35.690 40.422 1.00 0.00 S ATOM 0 H CYS A 7 37.264 33.115 37.345 1.00 0.00 H new ATOM 0 HA CYS A 7 38.744 35.000 38.870 1.00 0.00 H new ATOM 0 HB2 CYS A 7 36.348 35.142 38.114 1.00 0.00 H new ATOM 0 HB3 CYS A 7 35.954 33.738 39.086 1.00 0.00 H new ATOM 117 N TYR A 8 38.509 32.121 40.298 1.00 0.00 N ATOM 118 CA TYR A 8 38.870 31.361 41.502 1.00 0.00 C ATOM 119 C TYR A 8 40.359 31.109 41.634 1.00 0.00 C ATOM 120 O TYR A 8 40.831 30.943 42.752 1.00 0.00 O ATOM 121 CB TYR A 8 38.116 30.019 41.510 1.00 0.00 C ATOM 122 CG TYR A 8 36.615 30.145 41.684 1.00 0.00 C ATOM 123 CD1 TYR A 8 35.812 30.622 40.631 1.00 0.00 C ATOM 124 CD2 TYR A 8 36.028 29.792 42.911 1.00 0.00 C ATOM 125 CE1 TYR A 8 34.422 30.735 40.796 1.00 0.00 C ATOM 126 CE2 TYR A 8 34.638 29.894 43.076 1.00 0.00 C ATOM 127 CZ TYR A 8 33.824 30.371 42.023 1.00 0.00 C ATOM 128 OH TYR A 8 32.484 30.453 42.184 1.00 0.00 O ATOM 0 H TYR A 8 38.283 31.536 39.494 1.00 0.00 H new ATOM 0 HA TYR A 8 38.580 31.973 42.356 1.00 0.00 H new ATOM 0 HB2 TYR A 8 38.319 29.497 40.575 1.00 0.00 H new ATOM 0 HB3 TYR A 8 38.512 29.398 42.314 1.00 0.00 H new ATOM 0 HD1 TYR A 8 36.267 30.902 39.692 1.00 0.00 H new ATOM 0 HD2 TYR A 8 36.645 29.443 43.726 1.00 0.00 H new ATOM 0 HE1 TYR A 8 33.810 31.100 39.985 1.00 0.00 H new ATOM 0 HE2 TYR A 8 34.187 29.606 44.014 1.00 0.00 H new ATOM 0 HH TYR A 8 32.245 30.163 43.089 1.00 0.00 H new ATOM 138 N LEU A 9 41.069 31.073 40.507 1.00 0.00 N ATOM 139 CA LEU A 9 42.517 30.873 40.452 1.00 0.00 C ATOM 140 C LEU A 9 43.164 31.917 41.371 1.00 0.00 C ATOM 141 O LEU A 9 42.977 33.111 41.079 1.00 0.00 O ATOM 142 CB LEU A 9 43.001 31.040 39.002 1.00 0.00 C ATOM 143 CG LEU A 9 42.392 30.052 38.003 1.00 0.00 C ATOM 144 CD1 LEU A 9 42.749 30.463 36.571 1.00 0.00 C ATOM 145 CD2 LEU A 9 42.892 28.617 38.225 1.00 0.00 C ATOM 0 H LEU A 9 40.644 31.185 39.586 1.00 0.00 H new ATOM 0 HA LEU A 9 42.791 29.871 40.783 1.00 0.00 H new ATOM 0 HB2 LEU A 9 42.774 32.054 38.673 1.00 0.00 H new ATOM 0 HB3 LEU A 9 44.086 30.933 38.981 1.00 0.00 H new ATOM 0 HG LEU A 9 41.313 30.076 38.158 1.00 0.00 H new ATOM 0 HD11 LEU A 9 42.311 29.754 35.869 1.00 0.00 H new ATOM 0 HD12 LEU A 9 42.358 31.460 36.371 1.00 0.00 H new ATOM 0 HD13 LEU A 9 43.833 30.468 36.453 1.00 0.00 H new ATOM 0 HD21 LEU A 9 42.432 27.954 37.492 1.00 0.00 H new ATOM 0 HD22 LEU A 9 43.976 28.588 38.111 1.00 0.00 H new ATOM 0 HD23 LEU A 9 42.624 28.290 39.230 1.00 0.00 H new ATOM 157 N PRO A 10 43.855 31.504 42.461 1.00 0.00 N ATOM 158 CA PRO A 10 44.561 32.406 43.372 1.00 0.00 C ATOM 159 C PRO A 10 45.458 33.392 42.619 1.00 0.00 C ATOM 160 O PRO A 10 45.785 33.155 41.464 1.00 0.00 O ATOM 161 CB PRO A 10 45.355 31.504 44.322 1.00 0.00 C ATOM 162 CG PRO A 10 44.499 30.237 44.368 1.00 0.00 C ATOM 163 CD PRO A 10 43.991 30.139 42.937 1.00 0.00 C ATOM 0 HA PRO A 10 43.864 33.035 43.926 1.00 0.00 H new ATOM 0 HB2 PRO A 10 46.358 31.303 43.947 1.00 0.00 H new ATOM 0 HB3 PRO A 10 45.468 31.953 45.309 1.00 0.00 H new ATOM 0 HG2 PRO A 10 45.083 29.362 44.654 1.00 0.00 H new ATOM 0 HG3 PRO A 10 43.682 30.323 45.085 1.00 0.00 H new ATOM 0 HD2 PRO A 10 44.687 29.577 42.314 1.00 0.00 H new ATOM 0 HD3 PRO A 10 43.035 29.616 42.898 1.00 0.00 H new ATOM 171 N ASP A 11 45.822 34.501 43.268 1.00 0.00 N ATOM 172 CA ASP A 11 46.735 35.464 42.658 1.00 0.00 C ATOM 173 C ASP A 11 48.010 34.741 42.198 1.00 0.00 C ATOM 174 O ASP A 11 48.704 34.126 42.995 1.00 0.00 O ATOM 175 CB ASP A 11 47.041 36.627 43.610 1.00 0.00 C ATOM 176 CG ASP A 11 47.522 36.213 45.002 1.00 0.00 C ATOM 177 OD1 ASP A 11 46.632 35.799 45.800 1.00 0.00 O ATOM 178 OD2 ASP A 11 48.703 36.466 45.313 1.00 0.00 O ATOM 0 H ASP A 11 45.502 34.750 44.204 1.00 0.00 H new ATOM 0 HA ASP A 11 46.256 35.904 41.783 1.00 0.00 H new ATOM 0 HB2 ASP A 11 47.801 37.261 43.153 1.00 0.00 H new ATOM 0 HB3 ASP A 11 46.142 37.234 43.718 1.00 0.00 H new ATOM 183 N ASP A 12 48.256 34.779 40.892 1.00 0.00 N ATOM 184 CA ASP A 12 49.378 34.103 40.254 1.00 0.00 C ATOM 185 C ASP A 12 50.269 35.153 39.578 1.00 0.00 C ATOM 186 O ASP A 12 50.238 35.323 38.361 1.00 0.00 O ATOM 187 CB ASP A 12 48.871 32.995 39.311 1.00 0.00 C ATOM 188 CG ASP A 12 50.019 32.086 38.877 1.00 0.00 C ATOM 189 OD1 ASP A 12 50.465 32.216 37.707 1.00 0.00 O ATOM 190 OD2 ASP A 12 50.455 31.259 39.699 1.00 0.00 O ATOM 0 H ASP A 12 47.668 35.292 40.235 1.00 0.00 H new ATOM 0 HA ASP A 12 49.998 33.590 40.989 1.00 0.00 H new ATOM 0 HB2 ASP A 12 48.104 32.406 39.814 1.00 0.00 H new ATOM 0 HB3 ASP A 12 48.404 33.443 38.434 1.00 0.00 H new ATOM 195 N PRO A 13 51.036 35.957 40.349 1.00 0.00 N ATOM 196 CA PRO A 13 52.035 36.858 39.780 1.00 0.00 C ATOM 197 C PRO A 13 53.187 36.177 39.035 1.00 0.00 C ATOM 198 O PRO A 13 53.988 36.869 38.376 1.00 0.00 O ATOM 199 CB PRO A 13 52.569 37.637 40.993 1.00 0.00 C ATOM 200 CG PRO A 13 52.243 36.785 42.206 1.00 0.00 C ATOM 201 CD PRO A 13 50.971 36.080 41.795 1.00 0.00 C ATOM 0 HA PRO A 13 51.573 37.475 39.010 1.00 0.00 H new ATOM 0 HB2 PRO A 13 53.643 37.804 40.909 1.00 0.00 H new ATOM 0 HB3 PRO A 13 52.099 38.618 41.066 1.00 0.00 H new ATOM 0 HG2 PRO A 13 53.042 36.078 42.429 1.00 0.00 H new ATOM 0 HG3 PRO A 13 52.097 37.393 43.099 1.00 0.00 H new ATOM 0 HD2 PRO A 13 50.896 35.101 42.268 1.00 0.00 H new ATOM 0 HD3 PRO A 13 50.093 36.649 42.100 1.00 0.00 H new ATOM 209 N GLY A 14 53.286 34.858 39.173 1.00 0.00 N ATOM 210 CA GLY A 14 54.399 34.049 38.702 1.00 0.00 C ATOM 211 C GLY A 14 55.584 34.089 39.657 1.00 0.00 C ATOM 212 O GLY A 14 55.431 34.234 40.863 1.00 0.00 O ATOM 0 H GLY A 14 52.564 34.305 39.634 1.00 0.00 H new ATOM 0 HA2 GLY A 14 54.069 33.018 38.578 1.00 0.00 H new ATOM 0 HA3 GLY A 14 54.714 34.403 37.720 1.00 0.00 H new ATOM 216 N VAL A 15 56.790 33.955 39.104 1.00 0.00 N ATOM 217 CA VAL A 15 58.050 33.845 39.871 1.00 0.00 C ATOM 218 C VAL A 15 59.096 34.892 39.471 1.00 0.00 C ATOM 219 O VAL A 15 60.262 34.819 39.867 1.00 0.00 O ATOM 220 CB VAL A 15 58.609 32.415 39.797 1.00 0.00 C ATOM 221 CG1 VAL A 15 57.610 31.393 40.351 1.00 0.00 C ATOM 222 CG2 VAL A 15 58.988 32.005 38.373 1.00 0.00 C ATOM 0 H VAL A 15 56.930 33.918 38.094 1.00 0.00 H new ATOM 0 HA VAL A 15 57.806 34.062 40.911 1.00 0.00 H new ATOM 0 HB VAL A 15 59.511 32.420 40.409 1.00 0.00 H new ATOM 0 HG11 VAL A 15 58.038 30.393 40.283 1.00 0.00 H new ATOM 0 HG12 VAL A 15 57.393 31.625 41.394 1.00 0.00 H new ATOM 0 HG13 VAL A 15 56.688 31.434 39.771 1.00 0.00 H new ATOM 0 HG21 VAL A 15 59.377 30.987 38.379 1.00 0.00 H new ATOM 0 HG22 VAL A 15 58.106 32.053 37.734 1.00 0.00 H new ATOM 0 HG23 VAL A 15 59.751 32.683 37.990 1.00 0.00 H new ATOM 232 N CYS A 16 58.713 35.868 38.648 1.00 0.00 N ATOM 233 CA CYS A 16 59.646 36.885 38.158 1.00 0.00 C ATOM 234 C CYS A 16 59.815 38.025 39.169 1.00 0.00 C ATOM 235 O CYS A 16 58.849 38.610 39.634 1.00 0.00 O ATOM 236 CB CYS A 16 59.185 37.441 36.802 1.00 0.00 C ATOM 237 SG CYS A 16 60.023 36.757 35.354 1.00 0.00 S ATOM 0 H CYS A 16 57.759 35.977 38.305 1.00 0.00 H new ATOM 0 HA CYS A 16 60.615 36.403 38.027 1.00 0.00 H new ATOM 0 HB2 CYS A 16 58.115 37.260 36.700 1.00 0.00 H new ATOM 0 HB3 CYS A 16 59.327 38.522 36.805 1.00 0.00 H new ATOM 242 N LYS A 17 61.067 38.393 39.402 1.00 0.00 N ATOM 243 CA LYS A 17 61.502 39.519 40.257 1.00 0.00 C ATOM 244 C LYS A 17 61.303 40.899 39.604 1.00 0.00 C ATOM 245 O LYS A 17 62.243 41.681 39.507 1.00 0.00 O ATOM 246 CB LYS A 17 62.937 39.252 40.737 1.00 0.00 C ATOM 247 CG LYS A 17 63.959 39.117 39.583 1.00 0.00 C ATOM 248 CD LYS A 17 65.337 38.704 40.104 1.00 0.00 C ATOM 249 CE LYS A 17 66.380 38.709 38.976 1.00 0.00 C ATOM 250 NZ LYS A 17 66.052 37.751 37.882 1.00 0.00 N ATOM 0 H LYS A 17 61.856 37.898 38.985 1.00 0.00 H new ATOM 0 HA LYS A 17 60.854 39.568 41.132 1.00 0.00 H new ATOM 0 HB2 LYS A 17 63.249 40.064 41.395 1.00 0.00 H new ATOM 0 HB3 LYS A 17 62.949 38.338 41.331 1.00 0.00 H new ATOM 0 HG2 LYS A 17 63.604 38.378 38.865 1.00 0.00 H new ATOM 0 HG3 LYS A 17 64.038 40.066 39.052 1.00 0.00 H new ATOM 0 HD2 LYS A 17 65.649 39.386 40.895 1.00 0.00 H new ATOM 0 HD3 LYS A 17 65.279 37.709 40.545 1.00 0.00 H new ATOM 0 HE2 LYS A 17 66.456 39.714 38.562 1.00 0.00 H new ATOM 0 HE3 LYS A 17 67.357 38.460 39.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 66.829 37.734 37.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 65.922 36.799 38.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 65.175 38.051 37.410 1.00 0.00 H new ATOM 264 N ALA A 18 60.101 41.168 39.096 1.00 0.00 N ATOM 265 CA ALA A 18 59.753 42.464 38.513 1.00 0.00 C ATOM 266 C ALA A 18 58.758 43.209 39.421 1.00 0.00 C ATOM 267 O ALA A 18 58.728 42.980 40.624 1.00 0.00 O ATOM 268 CB ALA A 18 59.253 42.256 37.077 1.00 0.00 C ATOM 0 H ALA A 18 59.338 40.491 39.077 1.00 0.00 H new ATOM 0 HA ALA A 18 60.631 43.107 38.450 1.00 0.00 H new ATOM 0 HB1 ALA A 18 58.993 43.220 36.639 1.00 0.00 H new ATOM 0 HB2 ALA A 18 60.038 41.788 36.483 1.00 0.00 H new ATOM 0 HB3 ALA A 18 58.373 41.613 37.088 1.00 0.00 H new ATOM 274 N HIS A 19 57.977 44.146 38.862 1.00 0.00 N ATOM 275 CA HIS A 19 57.005 44.915 39.641 1.00 0.00 C ATOM 276 C HIS A 19 55.916 45.527 38.766 1.00 0.00 C ATOM 277 O HIS A 19 56.086 46.654 38.300 1.00 0.00 O ATOM 278 CB HIS A 19 57.765 45.981 40.450 1.00 0.00 C ATOM 279 CG HIS A 19 56.947 46.559 41.563 1.00 0.00 C ATOM 280 ND1 HIS A 19 55.955 47.511 41.437 1.00 0.00 N ATOM 281 CD2 HIS A 19 57.055 46.242 42.884 1.00 0.00 C ATOM 282 CE1 HIS A 19 55.470 47.776 42.676 1.00 0.00 C ATOM 283 NE2 HIS A 19 56.132 47.005 43.567 1.00 0.00 N ATOM 0 H HIS A 19 58.003 44.387 37.871 1.00 0.00 H new ATOM 0 HA HIS A 19 56.482 44.245 40.324 1.00 0.00 H new ATOM 0 HB2 HIS A 19 58.671 45.539 40.864 1.00 0.00 H new ATOM 0 HB3 HIS A 19 58.078 46.783 39.781 1.00 0.00 H new ATOM 0 HD2 HIS A 19 57.738 45.525 43.316 1.00 0.00 H new ATOM 0 HE1 HIS A 19 54.688 48.483 42.910 1.00 0.00 H new ATOM 0 HE2 HIS A 19 55.975 46.990 44.575 1.00 0.00 H new ATOM 292 N ILE A 20 54.782 44.848 38.599 1.00 0.00 N ATOM 293 CA ILE A 20 53.654 45.354 37.795 1.00 0.00 C ATOM 294 C ILE A 20 52.376 45.353 38.660 1.00 0.00 C ATOM 295 O ILE A 20 51.963 44.269 39.051 1.00 0.00 O ATOM 296 CB ILE A 20 53.491 44.552 36.488 1.00 0.00 C ATOM 297 CG1 ILE A 20 54.856 44.268 35.806 1.00 0.00 C ATOM 298 CG2 ILE A 20 52.519 45.309 35.578 1.00 0.00 C ATOM 299 CD1 ILE A 20 54.792 43.728 34.366 1.00 0.00 C ATOM 0 H ILE A 20 54.613 43.932 39.014 1.00 0.00 H new ATOM 0 HA ILE A 20 53.855 46.380 37.488 1.00 0.00 H new ATOM 0 HB ILE A 20 53.076 43.568 36.708 1.00 0.00 H new ATOM 0 HG12 ILE A 20 55.436 45.191 35.801 1.00 0.00 H new ATOM 0 HG13 ILE A 20 55.403 43.551 36.418 1.00 0.00 H new ATOM 0 HG21 ILE A 20 52.389 44.758 34.646 1.00 0.00 H new ATOM 0 HG22 ILE A 20 51.556 45.409 36.078 1.00 0.00 H new ATOM 0 HG23 ILE A 20 52.920 46.299 35.361 1.00 0.00 H new ATOM 0 HD11 ILE A 20 55.803 43.567 33.992 1.00 0.00 H new ATOM 0 HD12 ILE A 20 54.247 42.784 34.355 1.00 0.00 H new ATOM 0 HD13 ILE A 20 54.281 44.450 33.729 1.00 0.00 H new ATOM 311 N PRO A 21 51.785 46.514 39.004 1.00 0.00 N ATOM 312 CA PRO A 21 50.503 46.556 39.705 1.00 0.00 C ATOM 313 C PRO A 21 49.464 45.740 38.939 1.00 0.00 C ATOM 314 O PRO A 21 49.292 45.934 37.738 1.00 0.00 O ATOM 315 CB PRO A 21 50.122 48.033 39.825 1.00 0.00 C ATOM 316 CG PRO A 21 50.906 48.707 38.713 1.00 0.00 C ATOM 317 CD PRO A 21 52.174 47.859 38.609 1.00 0.00 C ATOM 0 HA PRO A 21 50.561 46.113 40.699 1.00 0.00 H new ATOM 0 HB2 PRO A 21 49.049 48.180 39.702 1.00 0.00 H new ATOM 0 HB3 PRO A 21 50.389 48.436 40.802 1.00 0.00 H new ATOM 0 HG2 PRO A 21 50.349 48.714 37.776 1.00 0.00 H new ATOM 0 HG3 PRO A 21 51.135 49.745 38.955 1.00 0.00 H new ATOM 0 HD2 PRO A 21 52.569 47.869 37.593 1.00 0.00 H new ATOM 0 HD3 PRO A 21 52.958 48.246 39.260 1.00 0.00 H new ATOM 325 N ARG A 22 48.856 44.772 39.609 1.00 0.00 N ATOM 326 CA ARG A 22 47.845 43.884 39.050 1.00 0.00 C ATOM 327 C ARG A 22 46.794 43.574 40.100 1.00 0.00 C ATOM 328 O ARG A 22 46.977 43.830 41.282 1.00 0.00 O ATOM 329 CB ARG A 22 48.522 42.602 38.517 1.00 0.00 C ATOM 330 CG ARG A 22 47.718 41.896 37.417 1.00 0.00 C ATOM 331 CD ARG A 22 47.760 42.680 36.099 1.00 0.00 C ATOM 332 NE ARG A 22 49.028 42.428 35.396 1.00 0.00 N ATOM 333 CZ ARG A 22 49.628 43.258 34.561 1.00 0.00 C ATOM 334 NH1 ARG A 22 49.206 44.460 34.317 1.00 0.00 N ATOM 335 NH2 ARG A 22 50.705 42.864 33.937 1.00 0.00 N ATOM 0 H ARG A 22 49.059 44.576 40.589 1.00 0.00 H new ATOM 0 HA ARG A 22 47.342 44.370 38.214 1.00 0.00 H new ATOM 0 HB2 ARG A 22 49.508 42.856 38.129 1.00 0.00 H new ATOM 0 HB3 ARG A 22 48.674 41.910 39.345 1.00 0.00 H new ATOM 0 HG2 ARG A 22 48.118 40.894 37.259 1.00 0.00 H new ATOM 0 HG3 ARG A 22 46.683 41.779 37.739 1.00 0.00 H new ATOM 0 HD2 ARG A 22 46.921 42.388 35.467 1.00 0.00 H new ATOM 0 HD3 ARG A 22 47.652 43.746 36.298 1.00 0.00 H new ATOM 0 HE ARG A 22 49.485 41.532 35.569 1.00 0.00 H new ATOM 0 HH11 ARG A 22 48.368 44.810 34.781 1.00 0.00 H new ATOM 0 HH12 ARG A 22 49.712 45.055 33.661 1.00 0.00 H new ATOM 0 HH21 ARG A 22 51.073 41.926 34.097 1.00 0.00 H new ATOM 0 HH22 ARG A 22 51.179 43.494 33.290 1.00 0.00 H new ATOM 349 N PHE A 23 45.666 43.025 39.686 1.00 0.00 N ATOM 350 CA PHE A 23 44.541 42.730 40.557 1.00 0.00 C ATOM 351 C PHE A 23 43.995 41.341 40.276 1.00 0.00 C ATOM 352 O PHE A 23 44.014 40.872 39.142 1.00 0.00 O ATOM 353 CB PHE A 23 43.445 43.782 40.386 1.00 0.00 C ATOM 354 CG PHE A 23 43.790 45.140 40.972 1.00 0.00 C ATOM 355 CD1 PHE A 23 43.164 45.566 42.150 1.00 0.00 C ATOM 356 CD2 PHE A 23 44.751 45.960 40.353 1.00 0.00 C ATOM 357 CE1 PHE A 23 43.462 46.832 42.675 1.00 0.00 C ATOM 358 CE2 PHE A 23 45.058 47.216 40.889 1.00 0.00 C ATOM 359 CZ PHE A 23 44.396 47.662 42.033 1.00 0.00 C ATOM 0 H PHE A 23 45.502 42.766 38.713 1.00 0.00 H new ATOM 0 HA PHE A 23 44.889 42.757 41.590 1.00 0.00 H new ATOM 0 HB2 PHE A 23 43.233 43.900 39.323 1.00 0.00 H new ATOM 0 HB3 PHE A 23 42.531 43.418 40.855 1.00 0.00 H new ATOM 0 HD1 PHE A 23 42.456 44.923 42.651 1.00 0.00 H new ATOM 0 HD2 PHE A 23 45.254 45.619 39.460 1.00 0.00 H new ATOM 0 HE1 PHE A 23 42.972 47.170 43.576 1.00 0.00 H new ATOM 0 HE2 PHE A 23 45.805 47.838 40.418 1.00 0.00 H new ATOM 0 HZ PHE A 23 44.602 48.647 42.426 1.00 0.00 H new ATOM 369 N TYR A 24 43.451 40.717 41.308 1.00 0.00 N ATOM 370 CA TYR A 24 42.753 39.448 41.178 1.00 0.00 C ATOM 371 C TYR A 24 41.529 39.448 42.097 1.00 0.00 C ATOM 372 O TYR A 24 41.504 40.124 43.141 1.00 0.00 O ATOM 373 CB TYR A 24 43.721 38.281 41.402 1.00 0.00 C ATOM 374 CG TYR A 24 43.389 37.357 42.558 1.00 0.00 C ATOM 375 CD1 TYR A 24 43.465 37.831 43.871 1.00 0.00 C ATOM 376 CD2 TYR A 24 43.023 36.035 42.311 1.00 0.00 C ATOM 377 CE1 TYR A 24 43.133 36.984 44.943 1.00 0.00 C ATOM 378 CE2 TYR A 24 42.622 35.198 43.366 1.00 0.00 C ATOM 379 CZ TYR A 24 42.706 35.663 44.690 1.00 0.00 C ATOM 380 OH TYR A 24 42.410 34.832 45.705 1.00 0.00 O ATOM 0 H TYR A 24 43.481 41.077 42.262 1.00 0.00 H new ATOM 0 HA TYR A 24 42.375 39.313 40.165 1.00 0.00 H new ATOM 0 HB2 TYR A 24 43.762 37.688 40.488 1.00 0.00 H new ATOM 0 HB3 TYR A 24 44.719 38.688 41.563 1.00 0.00 H new ATOM 0 HD1 TYR A 24 43.778 38.847 44.062 1.00 0.00 H new ATOM 0 HD2 TYR A 24 43.048 35.651 41.302 1.00 0.00 H new ATOM 0 HE1 TYR A 24 43.205 37.344 45.959 1.00 0.00 H new ATOM 0 HE2 TYR A 24 42.252 34.204 43.161 1.00 0.00 H new ATOM 0 HH TYR A 24 42.133 33.963 45.346 1.00 0.00 H new ATOM 390 N TYR A 25 40.484 38.709 41.729 1.00 0.00 N ATOM 391 CA TYR A 25 39.330 38.505 42.605 1.00 0.00 C ATOM 392 C TYR A 25 39.502 37.265 43.470 1.00 0.00 C ATOM 393 O TYR A 25 39.790 36.195 42.952 1.00 0.00 O ATOM 394 CB TYR A 25 38.041 38.473 41.790 1.00 0.00 C ATOM 395 CG TYR A 25 36.804 38.582 42.663 1.00 0.00 C ATOM 396 CD1 TYR A 25 36.309 39.860 42.982 1.00 0.00 C ATOM 397 CD2 TYR A 25 36.168 37.448 43.176 1.00 0.00 C ATOM 398 CE1 TYR A 25 35.204 40.004 43.846 1.00 0.00 C ATOM 399 CE2 TYR A 25 35.019 37.582 43.976 1.00 0.00 C ATOM 400 CZ TYR A 25 34.559 38.861 44.348 1.00 0.00 C ATOM 401 OH TYR A 25 33.508 38.993 45.178 1.00 0.00 O ATOM 0 H TYR A 25 40.412 38.239 40.826 1.00 0.00 H new ATOM 0 HA TYR A 25 39.261 39.350 43.290 1.00 0.00 H new ATOM 0 HB2 TYR A 25 38.048 39.292 41.071 1.00 0.00 H new ATOM 0 HB3 TYR A 25 37.999 37.546 41.218 1.00 0.00 H new ATOM 0 HD1 TYR A 25 36.779 40.737 42.562 1.00 0.00 H new ATOM 0 HD2 TYR A 25 36.560 36.466 42.957 1.00 0.00 H new ATOM 0 HE1 TYR A 25 34.855 40.988 44.121 1.00 0.00 H new ATOM 0 HE2 TYR A 25 34.487 36.702 44.306 1.00 0.00 H new ATOM 0 HH TYR A 25 33.178 38.106 45.432 1.00 0.00 H new ATOM 411 N ASN A 26 39.258 37.377 44.780 1.00 0.00 N ATOM 412 CA ASN A 26 39.256 36.234 45.705 1.00 0.00 C ATOM 413 C ASN A 26 37.809 35.845 46.038 1.00 0.00 C ATOM 414 O ASN A 26 37.221 36.429 46.951 1.00 0.00 O ATOM 415 CB ASN A 26 40.088 36.596 46.954 1.00 0.00 C ATOM 416 CG ASN A 26 40.306 35.418 47.872 1.00 0.00 C ATOM 417 OD1 ASN A 26 39.410 34.641 48.143 1.00 0.00 O ATOM 418 ND2 ASN A 26 41.475 35.272 48.442 1.00 0.00 N ATOM 0 H ASN A 26 39.055 38.268 45.233 1.00 0.00 H new ATOM 0 HA ASN A 26 39.720 35.360 45.248 1.00 0.00 H new ATOM 0 HB2 ASN A 26 41.055 36.990 46.640 1.00 0.00 H new ATOM 0 HB3 ASN A 26 39.583 37.391 47.503 1.00 0.00 H new ATOM 0 HD21 ASN A 26 41.627 34.513 49.106 1.00 0.00 H new ATOM 0 HD22 ASN A 26 42.234 35.917 48.222 1.00 0.00 H new ATOM 425 N PRO A 27 37.203 34.869 45.320 1.00 0.00 N ATOM 426 CA PRO A 27 35.832 34.445 45.591 1.00 0.00 C ATOM 427 C PRO A 27 35.657 33.816 46.960 1.00 0.00 C ATOM 428 O PRO A 27 34.637 34.080 47.595 1.00 0.00 O ATOM 429 CB PRO A 27 35.437 33.496 44.460 1.00 0.00 C ATOM 430 CG PRO A 27 36.767 33.018 43.893 1.00 0.00 C ATOM 431 CD PRO A 27 37.740 34.166 44.175 1.00 0.00 C ATOM 0 HA PRO A 27 35.174 35.313 45.618 1.00 0.00 H new ATOM 0 HB2 PRO A 27 34.839 32.663 44.829 1.00 0.00 H new ATOM 0 HB3 PRO A 27 34.841 34.005 43.703 1.00 0.00 H new ATOM 0 HG2 PRO A 27 37.093 32.095 44.372 1.00 0.00 H new ATOM 0 HG3 PRO A 27 36.693 32.814 42.825 1.00 0.00 H new ATOM 0 HD2 PRO A 27 38.741 33.788 44.383 1.00 0.00 H new ATOM 0 HD3 PRO A 27 37.823 34.829 43.313 1.00 0.00 H new ATOM 439 N ALA A 28 36.648 33.081 47.458 1.00 0.00 N ATOM 440 CA ALA A 28 36.618 32.498 48.799 1.00 0.00 C ATOM 441 C ALA A 28 36.455 33.560 49.902 1.00 0.00 C ATOM 442 O ALA A 28 35.790 33.308 50.906 1.00 0.00 O ATOM 443 CB ALA A 28 37.896 31.673 49.007 1.00 0.00 C ATOM 0 H ALA A 28 37.501 32.871 46.940 1.00 0.00 H new ATOM 0 HA ALA A 28 35.743 31.853 48.875 1.00 0.00 H new ATOM 0 HB1 ALA A 28 37.886 31.232 50.004 1.00 0.00 H new ATOM 0 HB2 ALA A 28 37.943 30.880 48.260 1.00 0.00 H new ATOM 0 HB3 ALA A 28 38.767 32.320 48.905 1.00 0.00 H new ATOM 449 N SER A 29 36.992 34.759 49.699 1.00 0.00 N ATOM 450 CA SER A 29 36.830 35.902 50.598 1.00 0.00 C ATOM 451 C SER A 29 35.794 36.939 50.111 1.00 0.00 C ATOM 452 O SER A 29 35.636 37.981 50.734 1.00 0.00 O ATOM 453 CB SER A 29 38.208 36.537 50.831 1.00 0.00 C ATOM 454 OG SER A 29 38.199 37.396 51.958 1.00 0.00 O ATOM 0 H SER A 29 37.567 34.970 48.884 1.00 0.00 H new ATOM 0 HA SER A 29 36.421 35.534 51.539 1.00 0.00 H new ATOM 0 HB2 SER A 29 38.951 35.753 50.975 1.00 0.00 H new ATOM 0 HB3 SER A 29 38.505 37.099 49.946 1.00 0.00 H new ATOM 0 HG SER A 29 37.362 37.905 51.975 1.00 0.00 H new ATOM 460 N ASN A 30 35.122 36.669 48.994 1.00 0.00 N ATOM 461 CA ASN A 30 34.158 37.568 48.350 1.00 0.00 C ATOM 462 C ASN A 30 34.706 38.994 48.087 1.00 0.00 C ATOM 463 O ASN A 30 33.984 39.989 48.195 1.00 0.00 O ATOM 464 CB ASN A 30 32.836 37.504 49.122 1.00 0.00 C ATOM 465 CG ASN A 30 31.701 38.256 48.448 1.00 0.00 C ATOM 466 OD1 ASN A 30 31.075 39.136 48.993 1.00 0.00 O ATOM 467 ND2 ASN A 30 31.358 37.893 47.235 1.00 0.00 N ATOM 0 H ASN A 30 35.235 35.788 48.492 1.00 0.00 H new ATOM 0 HA ASN A 30 33.964 37.220 47.335 1.00 0.00 H new ATOM 0 HB2 ASN A 30 32.547 36.460 49.245 1.00 0.00 H new ATOM 0 HB3 ASN A 30 32.988 37.912 50.121 1.00 0.00 H new ATOM 0 HD21 ASN A 30 30.575 38.351 46.768 1.00 0.00 H new ATOM 0 HD22 ASN A 30 31.874 37.153 46.759 1.00 0.00 H new ATOM 474 N LYS A 31 35.988 39.127 47.740 1.00 0.00 N ATOM 475 CA LYS A 31 36.640 40.433 47.522 1.00 0.00 C ATOM 476 C LYS A 31 37.903 40.325 46.691 1.00 0.00 C ATOM 477 O LYS A 31 38.663 39.381 46.836 1.00 0.00 O ATOM 478 CB LYS A 31 36.916 41.114 48.885 1.00 0.00 C ATOM 479 CG LYS A 31 37.780 40.292 49.859 1.00 0.00 C ATOM 480 CD LYS A 31 39.266 40.674 49.852 1.00 0.00 C ATOM 481 CE LYS A 31 40.080 39.782 50.803 1.00 0.00 C ATOM 482 NZ LYS A 31 39.565 39.794 52.192 1.00 0.00 N ATOM 0 H LYS A 31 36.611 38.332 47.600 1.00 0.00 H new ATOM 0 HA LYS A 31 35.955 41.054 46.945 1.00 0.00 H new ATOM 0 HB2 LYS A 31 37.408 42.070 48.704 1.00 0.00 H new ATOM 0 HB3 LYS A 31 35.962 41.333 49.365 1.00 0.00 H new ATOM 0 HG2 LYS A 31 37.389 40.416 50.869 1.00 0.00 H new ATOM 0 HG3 LYS A 31 37.686 39.235 49.608 1.00 0.00 H new ATOM 0 HD2 LYS A 31 39.661 40.585 48.840 1.00 0.00 H new ATOM 0 HD3 LYS A 31 39.376 41.718 50.146 1.00 0.00 H new ATOM 0 HE2 LYS A 31 40.073 38.759 50.428 1.00 0.00 H new ATOM 0 HE3 LYS A 31 41.118 40.114 50.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 40.362 39.740 52.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 39.034 40.673 52.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 38.937 38.978 52.336 1.00 0.00 H new ATOM 496 N CYS A 32 38.175 41.325 45.858 1.00 0.00 N ATOM 497 CA CYS A 32 39.442 41.422 45.140 1.00 0.00 C ATOM 498 C CYS A 32 40.572 42.049 45.963 1.00 0.00 C ATOM 499 O CYS A 32 40.340 42.591 47.043 1.00 0.00 O ATOM 500 CB CYS A 32 39.222 42.153 43.819 1.00 0.00 C ATOM 501 SG CYS A 32 38.301 43.703 43.924 1.00 0.00 S ATOM 0 H CYS A 32 37.527 42.088 45.662 1.00 0.00 H new ATOM 0 HA CYS A 32 39.782 40.406 44.938 1.00 0.00 H new ATOM 0 HB2 CYS A 32 40.195 42.360 43.373 1.00 0.00 H new ATOM 0 HB3 CYS A 32 38.695 41.484 43.138 1.00 0.00 H new ATOM 506 N LYS A 33 41.797 41.965 45.429 1.00 0.00 N ATOM 507 CA LYS A 33 43.013 42.567 45.980 1.00 0.00 C ATOM 508 C LYS A 33 43.963 42.977 44.865 1.00 0.00 C ATOM 509 O LYS A 33 43.924 42.401 43.781 1.00 0.00 O ATOM 510 CB LYS A 33 43.692 41.580 46.963 1.00 0.00 C ATOM 511 CG LYS A 33 44.110 40.269 46.287 1.00 0.00 C ATOM 512 CD LYS A 33 44.910 39.295 47.160 1.00 0.00 C ATOM 513 CE LYS A 33 44.051 38.559 48.198 1.00 0.00 C ATOM 514 NZ LYS A 33 43.834 39.396 49.397 1.00 0.00 N ATOM 0 H LYS A 33 41.973 41.453 44.564 1.00 0.00 H new ATOM 0 HA LYS A 33 42.744 43.469 46.530 1.00 0.00 H new ATOM 0 HB2 LYS A 33 44.570 42.055 47.400 1.00 0.00 H new ATOM 0 HB3 LYS A 33 43.007 41.360 47.782 1.00 0.00 H new ATOM 0 HG2 LYS A 33 43.212 39.760 45.937 1.00 0.00 H new ATOM 0 HG3 LYS A 33 44.704 40.510 45.406 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.399 38.562 46.519 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.698 39.844 47.675 1.00 0.00 H new ATOM 0 HE2 LYS A 33 43.090 38.293 47.757 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.539 37.627 48.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.930 38.810 50.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.540 40.160 49.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 42.879 39.808 49.365 1.00 0.00 H new ATOM 528 N GLU A 34 44.810 43.959 45.163 1.00 0.00 N ATOM 529 CA GLU A 34 45.942 44.355 44.338 1.00 0.00 C ATOM 530 C GLU A 34 47.144 43.469 44.703 1.00 0.00 C ATOM 531 O GLU A 34 47.524 43.398 45.868 1.00 0.00 O ATOM 532 CB GLU A 34 46.250 45.841 44.613 1.00 0.00 C ATOM 533 CG GLU A 34 47.326 46.415 43.684 1.00 0.00 C ATOM 534 CD GLU A 34 47.575 47.875 44.034 1.00 0.00 C ATOM 535 OE1 GLU A 34 48.474 48.118 44.873 1.00 0.00 O ATOM 536 OE2 GLU A 34 46.828 48.744 43.533 1.00 0.00 O ATOM 0 H GLU A 34 44.722 44.517 46.012 1.00 0.00 H new ATOM 0 HA GLU A 34 45.722 44.231 43.278 1.00 0.00 H new ATOM 0 HB2 GLU A 34 45.335 46.422 44.501 1.00 0.00 H new ATOM 0 HB3 GLU A 34 46.574 45.953 45.648 1.00 0.00 H new ATOM 0 HG2 GLU A 34 48.249 45.844 43.783 1.00 0.00 H new ATOM 0 HG3 GLU A 34 47.008 46.329 42.645 1.00 0.00 H new ATOM 543 N PHE A 35 47.706 42.772 43.721 1.00 0.00 N ATOM 544 CA PHE A 35 48.922 41.986 43.851 1.00 0.00 C ATOM 545 C PHE A 35 49.982 42.518 42.872 1.00 0.00 C ATOM 546 O PHE A 35 49.651 43.124 41.849 1.00 0.00 O ATOM 547 CB PHE A 35 48.618 40.493 43.648 1.00 0.00 C ATOM 548 CG PHE A 35 48.486 40.045 42.197 1.00 0.00 C ATOM 549 CD1 PHE A 35 47.223 39.862 41.603 1.00 0.00 C ATOM 550 CD2 PHE A 35 49.637 39.784 41.453 1.00 0.00 C ATOM 551 CE1 PHE A 35 47.128 39.388 40.278 1.00 0.00 C ATOM 552 CE2 PHE A 35 49.544 39.349 40.117 1.00 0.00 C ATOM 553 CZ PHE A 35 48.289 39.127 39.535 1.00 0.00 C ATOM 0 H PHE A 35 47.311 42.739 42.781 1.00 0.00 H new ATOM 0 HA PHE A 35 49.327 42.085 44.858 1.00 0.00 H new ATOM 0 HB2 PHE A 35 49.410 39.911 44.120 1.00 0.00 H new ATOM 0 HB3 PHE A 35 47.692 40.254 44.170 1.00 0.00 H new ATOM 0 HD1 PHE A 35 46.326 40.085 42.162 1.00 0.00 H new ATOM 0 HD2 PHE A 35 50.608 39.917 41.906 1.00 0.00 H new ATOM 0 HE1 PHE A 35 46.157 39.225 39.833 1.00 0.00 H new ATOM 0 HE2 PHE A 35 50.442 39.186 39.540 1.00 0.00 H new ATOM 0 HZ PHE A 35 48.216 38.758 38.523 1.00 0.00 H new ATOM 563 N ILE A 36 51.266 42.297 43.155 1.00 0.00 N ATOM 564 CA ILE A 36 52.339 42.691 42.224 1.00 0.00 C ATOM 565 C ILE A 36 52.711 41.522 41.326 1.00 0.00 C ATOM 566 O ILE A 36 53.186 40.498 41.798 1.00 0.00 O ATOM 567 CB ILE A 36 53.544 43.262 42.986 1.00 0.00 C ATOM 568 CG1 ILE A 36 53.253 44.684 43.518 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.805 43.293 42.109 1.00 0.00 C ATOM 570 CD1 ILE A 36 52.885 45.730 42.452 1.00 0.00 C ATOM 0 H ILE A 36 51.593 41.851 44.012 1.00 0.00 H new ATOM 0 HA ILE A 36 51.976 43.490 41.578 1.00 0.00 H new ATOM 0 HB ILE A 36 53.722 42.597 43.831 1.00 0.00 H new ATOM 0 HG12 ILE A 36 52.437 44.623 44.238 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.131 45.037 44.060 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.637 43.703 42.682 1.00 0.00 H new ATOM 0 HG22 ILE A 36 55.050 42.281 41.788 1.00 0.00 H new ATOM 0 HG23 ILE A 36 54.624 43.917 41.234 1.00 0.00 H new ATOM 0 HD11 ILE A 36 52.701 46.691 42.933 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.706 45.831 41.742 1.00 0.00 H new ATOM 0 HD13 ILE A 36 51.986 45.411 41.924 1.00 0.00 H new ATOM 582 N TYR A 37 52.529 41.722 40.022 1.00 0.00 N ATOM 583 CA TYR A 37 52.900 40.787 38.973 1.00 0.00 C ATOM 584 C TYR A 37 54.379 40.922 38.564 1.00 0.00 C ATOM 585 O TYR A 37 54.945 42.009 38.570 1.00 0.00 O ATOM 586 CB TYR A 37 51.931 40.983 37.807 1.00 0.00 C ATOM 587 CG TYR A 37 52.207 40.095 36.616 1.00 0.00 C ATOM 588 CD1 TYR A 37 51.587 38.835 36.512 1.00 0.00 C ATOM 589 CD2 TYR A 37 53.105 40.510 35.617 1.00 0.00 C ATOM 590 CE1 TYR A 37 51.883 38.001 35.432 1.00 0.00 C ATOM 591 CE2 TYR A 37 53.374 39.696 34.512 1.00 0.00 C ATOM 592 CZ TYR A 37 52.783 38.416 34.422 1.00 0.00 C ATOM 593 OH TYR A 37 53.064 37.584 33.390 1.00 0.00 O ATOM 0 H TYR A 37 52.102 42.574 39.658 1.00 0.00 H new ATOM 0 HA TYR A 37 52.815 39.763 39.338 1.00 0.00 H new ATOM 0 HB2 TYR A 37 50.916 40.796 38.158 1.00 0.00 H new ATOM 0 HB3 TYR A 37 51.971 42.024 37.487 1.00 0.00 H new ATOM 0 HD1 TYR A 37 50.884 38.514 37.266 1.00 0.00 H new ATOM 0 HD2 TYR A 37 53.593 41.469 35.704 1.00 0.00 H new ATOM 0 HE1 TYR A 37 51.420 37.028 35.367 1.00 0.00 H new ATOM 0 HE2 TYR A 37 54.032 40.045 33.730 1.00 0.00 H new ATOM 0 HH TYR A 37 53.698 38.019 32.783 1.00 0.00 H new ATOM 603 N GLY A 38 54.983 39.790 38.200 1.00 0.00 N ATOM 604 CA GLY A 38 56.344 39.714 37.709 1.00 0.00 C ATOM 605 C GLY A 38 56.441 39.747 36.178 1.00 0.00 C ATOM 606 O GLY A 38 56.702 40.777 35.574 1.00 0.00 O ATOM 0 H GLY A 38 54.520 38.882 38.243 1.00 0.00 H new ATOM 0 HA2 GLY A 38 56.918 40.544 38.120 1.00 0.00 H new ATOM 0 HA3 GLY A 38 56.804 38.796 38.075 1.00 0.00 H new ATOM 610 N GLY A 39 56.264 38.575 35.560 1.00 0.00 N ATOM 611 CA GLY A 39 56.577 38.366 34.131 1.00 0.00 C ATOM 612 C GLY A 39 57.005 36.947 33.752 1.00 0.00 C ATOM 613 O GLY A 39 57.332 36.720 32.597 1.00 0.00 O ATOM 0 H GLY A 39 55.902 37.744 36.028 1.00 0.00 H new ATOM 0 HA2 GLY A 39 55.699 38.632 33.542 1.00 0.00 H new ATOM 0 HA3 GLY A 39 57.372 39.055 33.846 1.00 0.00 H new ATOM 617 N CYS A 40 57.035 36.016 34.701 1.00 0.00 N ATOM 618 CA CYS A 40 57.460 34.623 34.462 1.00 0.00 C ATOM 619 C CYS A 40 56.269 33.665 34.301 1.00 0.00 C ATOM 620 O CYS A 40 56.465 32.505 33.979 1.00 0.00 O ATOM 621 CB CYS A 40 58.353 34.158 35.623 1.00 0.00 C ATOM 622 SG CYS A 40 60.069 34.747 35.679 1.00 0.00 S ATOM 0 H CYS A 40 56.765 36.199 35.667 1.00 0.00 H new ATOM 0 HA CYS A 40 58.016 34.602 33.525 1.00 0.00 H new ATOM 0 HB2 CYS A 40 57.869 34.455 36.554 1.00 0.00 H new ATOM 0 HB3 CYS A 40 58.376 33.068 35.609 1.00 0.00 H new ATOM 627 N GLY A 41 55.055 34.119 34.588 1.00 0.00 N ATOM 628 CA GLY A 41 53.844 33.308 34.570 1.00 0.00 C ATOM 629 C GLY A 41 52.681 34.113 35.138 1.00 0.00 C ATOM 630 O GLY A 41 52.903 35.069 35.870 1.00 0.00 O ATOM 0 H GLY A 41 54.881 35.090 34.847 1.00 0.00 H new ATOM 0 HA2 GLY A 41 53.619 32.995 33.550 1.00 0.00 H new ATOM 0 HA3 GLY A 41 53.993 32.401 35.156 1.00 0.00 H new ATOM 634 N GLY A 42 51.474 33.727 34.749 1.00 0.00 N ATOM 635 CA GLY A 42 50.244 34.320 35.249 1.00 0.00 C ATOM 636 C GLY A 42 49.015 33.562 34.794 1.00 0.00 C ATOM 637 O GLY A 42 49.103 32.568 34.073 1.00 0.00 O ATOM 0 H GLY A 42 51.321 32.983 34.068 1.00 0.00 H new ATOM 0 HA2 GLY A 42 50.271 34.343 36.338 1.00 0.00 H new ATOM 0 HA3 GLY A 42 50.177 35.354 34.909 1.00 0.00 H new ATOM 641 N ASN A 43 47.855 34.078 35.164 1.00 0.00 N ATOM 642 CA ASN A 43 46.559 33.496 34.826 1.00 0.00 C ATOM 643 C ASN A 43 45.629 34.543 34.168 1.00 0.00 C ATOM 644 O ASN A 43 45.957 35.722 34.056 1.00 0.00 O ATOM 645 CB ASN A 43 45.980 32.874 36.106 1.00 0.00 C ATOM 646 CG ASN A 43 45.655 33.870 37.207 1.00 0.00 C ATOM 647 OD1 ASN A 43 45.815 35.071 37.068 1.00 0.00 O ATOM 648 ND2 ASN A 43 45.128 33.419 38.313 1.00 0.00 N ATOM 0 H ASN A 43 47.782 34.931 35.719 1.00 0.00 H new ATOM 0 HA ASN A 43 46.665 32.711 34.077 1.00 0.00 H new ATOM 0 HB2 ASN A 43 45.072 32.328 35.850 1.00 0.00 H new ATOM 0 HB3 ASN A 43 46.692 32.145 36.493 1.00 0.00 H new ATOM 0 HD21 ASN A 43 44.855 34.069 39.050 1.00 0.00 H new ATOM 0 HD22 ASN A 43 44.989 32.416 38.440 1.00 0.00 H new ATOM 655 N ALA A 44 44.432 34.107 33.772 1.00 0.00 N ATOM 656 CA ALA A 44 43.395 35.013 33.262 1.00 0.00 C ATOM 657 C ALA A 44 42.791 35.955 34.329 1.00 0.00 C ATOM 658 O ALA A 44 41.872 36.716 34.027 1.00 0.00 O ATOM 659 CB ALA A 44 42.327 34.151 32.576 1.00 0.00 C ATOM 0 H ALA A 44 44.153 33.126 33.794 1.00 0.00 H new ATOM 0 HA ALA A 44 43.854 35.700 32.550 1.00 0.00 H new ATOM 0 HB1 ALA A 44 41.538 34.793 32.184 1.00 0.00 H new ATOM 0 HB2 ALA A 44 42.781 33.592 31.757 1.00 0.00 H new ATOM 0 HB3 ALA A 44 41.902 33.454 33.299 1.00 0.00 H new ATOM 665 N ASN A 45 43.230 35.856 35.592 1.00 0.00 N ATOM 666 CA ASN A 45 42.750 36.677 36.706 1.00 0.00 C ATOM 667 C ASN A 45 43.769 37.774 37.005 1.00 0.00 C ATOM 668 O ASN A 45 44.561 37.684 37.949 1.00 0.00 O ATOM 669 CB ASN A 45 42.473 35.764 37.917 1.00 0.00 C ATOM 670 CG ASN A 45 41.572 36.382 38.970 1.00 0.00 C ATOM 671 OD1 ASN A 45 41.225 37.552 38.976 1.00 0.00 O ATOM 672 ND2 ASN A 45 41.104 35.561 39.888 1.00 0.00 N ATOM 0 H ASN A 45 43.946 35.185 35.871 1.00 0.00 H new ATOM 0 HA ASN A 45 41.814 37.175 36.453 1.00 0.00 H new ATOM 0 HB2 ASN A 45 42.018 34.839 37.563 1.00 0.00 H new ATOM 0 HB3 ASN A 45 43.423 35.496 38.380 1.00 0.00 H new ATOM 0 HD21 ASN A 45 40.456 35.905 40.597 1.00 0.00 H new ATOM 0 HD22 ASN A 45 41.389 34.582 39.890 1.00 0.00 H new ATOM 679 N ASN A 46 43.772 38.800 36.165 1.00 0.00 N ATOM 680 CA ASN A 46 44.788 39.846 36.175 1.00 0.00 C ATOM 681 C ASN A 46 44.202 41.181 35.668 1.00 0.00 C ATOM 682 O ASN A 46 44.212 41.471 34.479 1.00 0.00 O ATOM 683 CB ASN A 46 45.991 39.340 35.356 1.00 0.00 C ATOM 684 CG ASN A 46 45.703 39.065 33.893 1.00 0.00 C ATOM 685 OD1 ASN A 46 44.636 38.605 33.491 1.00 0.00 O ATOM 686 ND2 ASN A 46 46.656 39.315 33.027 1.00 0.00 N ATOM 0 H ASN A 46 43.059 38.932 35.447 1.00 0.00 H new ATOM 0 HA ASN A 46 45.133 40.057 37.187 1.00 0.00 H new ATOM 0 HB2 ASN A 46 46.791 40.078 35.420 1.00 0.00 H new ATOM 0 HB3 ASN A 46 46.364 38.425 35.815 1.00 0.00 H new ATOM 0 HD21 ASN A 46 46.506 39.128 32.036 1.00 0.00 H new ATOM 0 HD22 ASN A 46 47.547 39.697 33.345 1.00 0.00 H new ATOM 693 N PHE A 47 43.711 42.003 36.580 1.00 0.00 N ATOM 694 CA PHE A 47 43.135 43.317 36.276 1.00 0.00 C ATOM 695 C PHE A 47 43.985 44.478 36.797 1.00 0.00 C ATOM 696 O PHE A 47 45.076 44.252 37.313 1.00 0.00 O ATOM 697 CB PHE A 47 41.708 43.346 36.813 1.00 0.00 C ATOM 698 CG PHE A 47 40.772 42.342 36.175 1.00 0.00 C ATOM 699 CD1 PHE A 47 40.515 42.410 34.791 1.00 0.00 C ATOM 700 CD2 PHE A 47 40.163 41.339 36.957 1.00 0.00 C ATOM 701 CE1 PHE A 47 39.648 41.486 34.187 1.00 0.00 C ATOM 702 CE2 PHE A 47 39.318 40.404 36.345 1.00 0.00 C ATOM 703 CZ PHE A 47 39.059 40.473 34.970 1.00 0.00 C ATOM 0 H PHE A 47 43.698 41.778 37.575 1.00 0.00 H new ATOM 0 HA PHE A 47 43.120 43.459 35.195 1.00 0.00 H new ATOM 0 HB2 PHE A 47 41.735 43.166 37.888 1.00 0.00 H new ATOM 0 HB3 PHE A 47 41.300 44.346 36.668 1.00 0.00 H new ATOM 0 HD1 PHE A 47 40.987 43.176 34.193 1.00 0.00 H new ATOM 0 HD2 PHE A 47 40.347 41.292 38.020 1.00 0.00 H new ATOM 0 HE1 PHE A 47 39.434 41.551 33.130 1.00 0.00 H new ATOM 0 HE2 PHE A 47 38.863 39.624 36.938 1.00 0.00 H new ATOM 0 HZ PHE A 47 38.406 39.747 34.508 1.00 0.00 H new ATOM 713 N GLU A 48 43.480 45.708 36.674 1.00 0.00 N ATOM 714 CA GLU A 48 44.161 46.949 37.086 1.00 0.00 C ATOM 715 C GLU A 48 43.402 47.745 38.165 1.00 0.00 C ATOM 716 O GLU A 48 43.893 48.773 38.618 1.00 0.00 O ATOM 717 CB GLU A 48 44.379 47.832 35.850 1.00 0.00 C ATOM 718 CG GLU A 48 45.424 47.274 34.878 1.00 0.00 C ATOM 719 CD GLU A 48 46.817 47.155 35.518 1.00 0.00 C ATOM 720 OE1 GLU A 48 47.362 46.037 35.459 1.00 0.00 O ATOM 721 OE2 GLU A 48 47.324 48.185 36.023 1.00 0.00 O ATOM 0 H GLU A 48 42.558 45.879 36.273 1.00 0.00 H new ATOM 0 HA GLU A 48 45.110 46.657 37.535 1.00 0.00 H new ATOM 0 HB2 GLU A 48 43.431 47.949 35.325 1.00 0.00 H new ATOM 0 HB3 GLU A 48 44.689 48.826 36.173 1.00 0.00 H new ATOM 0 HG2 GLU A 48 45.103 46.293 34.528 1.00 0.00 H new ATOM 0 HG3 GLU A 48 45.484 47.921 34.003 1.00 0.00 H new ATOM 728 N THR A 49 42.206 47.323 38.593 1.00 0.00 N ATOM 729 CA THR A 49 41.464 47.998 39.669 1.00 0.00 C ATOM 730 C THR A 49 40.638 47.034 40.528 1.00 0.00 C ATOM 731 O THR A 49 40.748 45.817 40.462 1.00 0.00 O ATOM 732 CB THR A 49 40.597 49.169 39.132 1.00 0.00 C ATOM 733 OG1 THR A 49 39.589 48.766 38.230 1.00 0.00 O ATOM 734 CG2 THR A 49 41.353 50.336 38.529 1.00 0.00 C ATOM 0 H THR A 49 41.726 46.510 38.207 1.00 0.00 H new ATOM 0 HA THR A 49 42.220 48.424 40.328 1.00 0.00 H new ATOM 0 HB THR A 49 40.140 49.529 40.054 1.00 0.00 H new ATOM 0 HG1 THR A 49 39.377 47.821 38.378 1.00 0.00 H new ATOM 0 HG21 THR A 49 40.645 51.091 38.189 1.00 0.00 H new ATOM 0 HG22 THR A 49 42.013 50.769 39.281 1.00 0.00 H new ATOM 0 HG23 THR A 49 41.946 49.987 37.683 1.00 0.00 H new ATOM 742 N ARG A 50 39.792 47.594 41.409 1.00 0.00 N ATOM 743 CA ARG A 50 38.832 46.842 42.236 1.00 0.00 C ATOM 744 C ARG A 50 37.397 46.957 41.723 1.00 0.00 C ATOM 745 O ARG A 50 36.471 46.467 42.361 1.00 0.00 O ATOM 746 CB ARG A 50 38.944 47.321 43.693 1.00 0.00 C ATOM 747 CG ARG A 50 40.378 47.237 44.235 1.00 0.00 C ATOM 748 CD ARG A 50 40.517 47.823 45.640 1.00 0.00 C ATOM 749 NE ARG A 50 39.674 47.126 46.627 1.00 0.00 N ATOM 750 CZ ARG A 50 39.244 47.635 47.770 1.00 0.00 C ATOM 751 NH1 ARG A 50 39.557 48.854 48.137 1.00 0.00 N ATOM 752 NH2 ARG A 50 38.499 46.927 48.565 1.00 0.00 N ATOM 0 H ARG A 50 39.755 48.601 41.570 1.00 0.00 H new ATOM 0 HA ARG A 50 39.085 45.783 42.176 1.00 0.00 H new ATOM 0 HB2 ARG A 50 38.594 48.351 43.761 1.00 0.00 H new ATOM 0 HB3 ARG A 50 38.287 46.719 44.321 1.00 0.00 H new ATOM 0 HG2 ARG A 50 40.696 46.194 44.248 1.00 0.00 H new ATOM 0 HG3 ARG A 50 41.049 47.766 43.558 1.00 0.00 H new ATOM 0 HD2 ARG A 50 41.560 47.766 45.953 1.00 0.00 H new ATOM 0 HD3 ARG A 50 40.248 48.879 45.618 1.00 0.00 H new ATOM 0 HE ARG A 50 39.398 46.168 46.410 1.00 0.00 H new ATOM 0 HH11 ARG A 50 40.144 49.432 47.536 1.00 0.00 H new ATOM 0 HH12 ARG A 50 39.213 49.224 49.023 1.00 0.00 H new ATOM 0 HH21 ARG A 50 38.243 45.973 48.309 1.00 0.00 H new ATOM 0 HH22 ARG A 50 38.170 47.325 49.445 1.00 0.00 H new ATOM 766 N ALA A 51 37.206 47.687 40.626 1.00 0.00 N ATOM 767 CA ALA A 51 35.889 47.948 40.068 1.00 0.00 C ATOM 768 C ALA A 51 35.497 46.845 39.084 1.00 0.00 C ATOM 769 O ALA A 51 34.407 46.267 39.208 1.00 0.00 O ATOM 770 CB ALA A 51 35.901 49.331 39.414 1.00 0.00 C ATOM 0 H ALA A 51 37.968 48.115 40.099 1.00 0.00 H new ATOM 0 HA ALA A 51 35.136 47.944 40.856 1.00 0.00 H new ATOM 0 HB1 ALA A 51 34.919 49.542 38.990 1.00 0.00 H new ATOM 0 HB2 ALA A 51 36.143 50.085 40.163 1.00 0.00 H new ATOM 0 HB3 ALA A 51 36.650 49.353 38.622 1.00 0.00 H new ATOM 776 N GLU A 52 36.382 46.493 38.158 1.00 0.00 N ATOM 777 CA GLU A 52 36.158 45.407 37.210 1.00 0.00 C ATOM 778 C GLU A 52 36.009 44.070 37.939 1.00 0.00 C ATOM 779 O GLU A 52 35.164 43.275 37.553 1.00 0.00 O ATOM 780 CB GLU A 52 37.236 45.374 36.117 1.00 0.00 C ATOM 781 CG GLU A 52 38.504 44.594 36.453 1.00 0.00 C ATOM 782 CD GLU A 52 39.118 45.025 37.789 1.00 0.00 C ATOM 783 OE1 GLU A 52 39.277 44.147 38.668 1.00 0.00 O ATOM 784 OE2 GLU A 52 39.266 46.252 37.990 1.00 0.00 O ATOM 0 H GLU A 52 37.283 46.957 38.043 1.00 0.00 H new ATOM 0 HA GLU A 52 35.216 45.594 36.695 1.00 0.00 H new ATOM 0 HB2 GLU A 52 36.798 44.946 35.215 1.00 0.00 H new ATOM 0 HB3 GLU A 52 37.516 46.400 35.880 1.00 0.00 H new ATOM 0 HG2 GLU A 52 38.274 43.529 36.489 1.00 0.00 H new ATOM 0 HG3 GLU A 52 39.236 44.735 35.658 1.00 0.00 H new ATOM 791 N CYS A 53 36.668 43.881 39.086 1.00 0.00 N ATOM 792 CA CYS A 53 36.615 42.665 39.889 1.00 0.00 C ATOM 793 C CYS A 53 35.173 42.349 40.300 1.00 0.00 C ATOM 794 O CYS A 53 34.727 41.198 40.288 1.00 0.00 O ATOM 795 CB CYS A 53 37.540 42.882 41.093 1.00 0.00 C ATOM 796 SG CYS A 53 36.745 43.340 42.677 1.00 0.00 S ATOM 0 H CYS A 53 37.272 44.597 39.491 1.00 0.00 H new ATOM 0 HA CYS A 53 36.955 41.798 39.323 1.00 0.00 H new ATOM 0 HB2 CYS A 53 38.110 41.967 41.252 1.00 0.00 H new ATOM 0 HB3 CYS A 53 38.256 43.663 40.835 1.00 0.00 H new ATOM 801 N ARG A 54 34.397 43.411 40.561 1.00 0.00 N ATOM 802 CA ARG A 54 32.970 43.320 40.852 1.00 0.00 C ATOM 803 C ARG A 54 32.160 43.057 39.600 1.00 0.00 C ATOM 804 O ARG A 54 31.182 42.345 39.690 1.00 0.00 O ATOM 805 CB ARG A 54 32.479 44.593 41.553 1.00 0.00 C ATOM 806 CG ARG A 54 33.180 44.862 42.894 1.00 0.00 C ATOM 807 CD ARG A 54 32.714 46.209 43.444 1.00 0.00 C ATOM 808 NE ARG A 54 33.341 46.528 44.736 1.00 0.00 N ATOM 809 CZ ARG A 54 33.666 47.729 45.176 1.00 0.00 C ATOM 810 NH1 ARG A 54 33.497 48.815 44.458 1.00 0.00 N ATOM 811 NH2 ARG A 54 34.137 47.888 46.379 1.00 0.00 N ATOM 0 H ARG A 54 34.753 44.367 40.575 1.00 0.00 H new ATOM 0 HA ARG A 54 32.825 42.473 41.523 1.00 0.00 H new ATOM 0 HB2 ARG A 54 32.636 45.446 40.892 1.00 0.00 H new ATOM 0 HB3 ARG A 54 31.405 44.514 41.723 1.00 0.00 H new ATOM 0 HG2 ARG A 54 32.951 44.067 43.604 1.00 0.00 H new ATOM 0 HG3 ARG A 54 34.262 44.866 42.758 1.00 0.00 H new ATOM 0 HD2 ARG A 54 32.948 46.994 42.725 1.00 0.00 H new ATOM 0 HD3 ARG A 54 31.630 46.197 43.561 1.00 0.00 H new ATOM 0 HE ARG A 54 33.545 45.742 45.354 1.00 0.00 H new ATOM 0 HH11 ARG A 54 33.100 48.750 43.521 1.00 0.00 H new ATOM 0 HH12 ARG A 54 33.762 49.724 44.838 1.00 0.00 H new ATOM 0 HH21 ARG A 54 34.258 47.080 46.990 1.00 0.00 H new ATOM 0 HH22 ARG A 54 34.385 48.820 46.710 1.00 0.00 H new ATOM 825 N HIS A 55 32.543 43.590 38.447 1.00 0.00 N ATOM 826 CA HIS A 55 31.858 43.343 37.156 1.00 0.00 C ATOM 827 C HIS A 55 32.252 41.994 36.509 1.00 0.00 C ATOM 828 O HIS A 55 31.566 41.542 35.600 1.00 0.00 O ATOM 829 CB HIS A 55 32.125 44.517 36.204 1.00 0.00 C ATOM 830 CG HIS A 55 31.425 45.812 36.562 1.00 0.00 C ATOM 831 ND1 HIS A 55 30.639 46.557 35.710 1.00 0.00 N ATOM 832 CD2 HIS A 55 31.498 46.500 37.745 1.00 0.00 C ATOM 833 CE1 HIS A 55 30.239 47.666 36.357 1.00 0.00 C ATOM 834 NE2 HIS A 55 30.753 47.655 37.603 1.00 0.00 N ATOM 0 H HIS A 55 33.345 44.215 38.366 1.00 0.00 H new ATOM 0 HA HIS A 55 30.789 43.271 37.357 1.00 0.00 H new ATOM 0 HB2 HIS A 55 33.199 44.700 36.172 1.00 0.00 H new ATOM 0 HB3 HIS A 55 31.821 44.225 35.199 1.00 0.00 H new ATOM 0 HD2 HIS A 55 32.040 46.195 38.628 1.00 0.00 H new ATOM 0 HE1 HIS A 55 29.608 48.440 35.945 1.00 0.00 H new ATOM 0 HE2 HIS A 55 30.616 48.372 38.315 1.00 0.00 H new ATOM 843 N THR A 56 33.340 41.375 36.972 1.00 0.00 N ATOM 844 CA THR A 56 33.850 40.090 36.504 1.00 0.00 C ATOM 845 C THR A 56 33.265 38.938 37.315 1.00 0.00 C ATOM 846 O THR A 56 32.897 37.922 36.732 1.00 0.00 O ATOM 847 CB THR A 56 35.391 40.053 36.562 1.00 0.00 C ATOM 848 OG1 THR A 56 35.895 41.066 35.720 1.00 0.00 O ATOM 849 CG2 THR A 56 35.954 38.725 36.041 1.00 0.00 C ATOM 0 H THR A 56 33.912 41.775 37.715 1.00 0.00 H new ATOM 0 HA THR A 56 33.540 39.972 35.466 1.00 0.00 H new ATOM 0 HB THR A 56 35.684 40.185 37.603 1.00 0.00 H new ATOM 0 HG1 THR A 56 36.838 40.887 35.520 1.00 0.00 H new ATOM 0 HG21 THR A 56 37.042 38.743 36.100 1.00 0.00 H new ATOM 0 HG22 THR A 56 35.571 37.904 36.648 1.00 0.00 H new ATOM 0 HG23 THR A 56 35.649 38.582 35.004 1.00 0.00 H new ATOM 857 N CYS A 57 33.151 39.107 38.644 1.00 0.00 N ATOM 858 CA CYS A 57 32.700 38.045 39.543 1.00 0.00 C ATOM 859 C CYS A 57 31.480 38.413 40.406 1.00 0.00 C ATOM 860 O CYS A 57 30.679 37.535 40.701 1.00 0.00 O ATOM 861 CB CYS A 57 33.872 37.612 40.428 1.00 0.00 C ATOM 862 SG CYS A 57 35.446 37.365 39.572 1.00 0.00 S ATOM 0 H CYS A 57 33.370 39.983 39.118 1.00 0.00 H new ATOM 0 HA CYS A 57 32.362 37.223 38.912 1.00 0.00 H new ATOM 0 HB2 CYS A 57 34.015 38.363 41.205 1.00 0.00 H new ATOM 0 HB3 CYS A 57 33.602 36.683 40.930 1.00 0.00 H new ATOM 867 N VAL A 58 31.323 39.658 40.859 1.00 0.00 N ATOM 868 CA VAL A 58 30.202 40.044 41.741 1.00 0.00 C ATOM 869 C VAL A 58 28.930 40.302 40.915 1.00 0.00 C ATOM 870 O VAL A 58 28.152 39.390 40.651 1.00 0.00 O ATOM 871 CB VAL A 58 30.550 41.226 42.676 1.00 0.00 C ATOM 872 CG1 VAL A 58 29.417 41.547 43.671 1.00 0.00 C ATOM 873 CG2 VAL A 58 31.789 40.919 43.521 1.00 0.00 C ATOM 0 H VAL A 58 31.957 40.424 40.633 1.00 0.00 H new ATOM 0 HA VAL A 58 30.005 39.202 42.405 1.00 0.00 H new ATOM 0 HB VAL A 58 30.719 42.074 42.012 1.00 0.00 H new ATOM 0 HG11 VAL A 58 29.714 42.384 44.303 1.00 0.00 H new ATOM 0 HG12 VAL A 58 28.513 41.810 43.121 1.00 0.00 H new ATOM 0 HG13 VAL A 58 29.221 40.674 44.294 1.00 0.00 H new ATOM 0 HG21 VAL A 58 32.008 41.769 44.168 1.00 0.00 H new ATOM 0 HG22 VAL A 58 31.603 40.036 44.133 1.00 0.00 H new ATOM 0 HG23 VAL A 58 32.640 40.733 42.865 1.00 0.00 H new