USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=9 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 43 ASN : amide:sc= -0.828 K(o=-0.32,f=-2.9!) USER MOD Set 1.2: A 45 ASN : amide:sc= 0.51 K(o=-0.32,f=-6.2) USER MOD Set 2.1: A 25 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 30 ASN : amide:sc= -0.333 X(o=-0.33,f=-0.35) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 155:sc= -0.513 (180deg=-1.6!) USER MOD Single : A 19 HIS : no HD1:sc= -0.315 X(o=-0.31,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.791 K(o=-0.79,f=-7.1!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 0.697 (180deg=0.655) USER MOD Single : A 37 TYR OH : rot -17:sc= 0.776 USER MOD Single : A 46 ASN : amide:sc= -0.109 K(o=-0.11,f=-4.6!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 74:sc= 0.386 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 27.784 32.028 40.870 1.00 0.00 N ATOM 16 CA ASP A 2 27.409 31.979 39.442 1.00 0.00 C ATOM 17 C ASP A 2 28.387 32.715 38.501 1.00 0.00 C ATOM 18 O ASP A 2 28.196 32.784 37.293 1.00 0.00 O ATOM 19 CB ASP A 2 25.988 32.516 39.289 1.00 0.00 C ATOM 20 CG ASP A 2 25.032 31.708 40.153 1.00 0.00 C ATOM 21 OD1 ASP A 2 24.541 30.678 39.644 1.00 0.00 O ATOM 22 OD2 ASP A 2 24.891 32.107 41.337 1.00 0.00 O ATOM 0 HA ASP A 2 27.462 30.936 39.131 1.00 0.00 H new ATOM 0 HB2 ASP A 2 25.954 33.566 39.579 1.00 0.00 H new ATOM 0 HB3 ASP A 2 25.681 32.463 38.245 1.00 0.00 H new ATOM 27 N ARG A 3 29.460 33.280 39.059 1.00 0.00 N ATOM 28 CA ARG A 3 30.534 33.952 38.323 1.00 0.00 C ATOM 29 C ARG A 3 31.401 32.989 37.475 1.00 0.00 C ATOM 30 O ARG A 3 31.285 31.783 37.641 1.00 0.00 O ATOM 31 CB ARG A 3 31.344 34.820 39.315 1.00 0.00 C ATOM 32 CG ARG A 3 32.531 34.181 40.046 1.00 0.00 C ATOM 33 CD ARG A 3 32.190 32.924 40.849 1.00 0.00 C ATOM 34 NE ARG A 3 32.614 31.674 40.190 1.00 0.00 N ATOM 35 CZ ARG A 3 31.933 30.538 40.130 1.00 0.00 C ATOM 36 NH1 ARG A 3 30.641 30.533 40.209 1.00 0.00 N ATOM 37 NH2 ARG A 3 32.524 29.396 40.002 1.00 0.00 N ATOM 0 H ARG A 3 29.610 33.283 40.068 1.00 0.00 H new ATOM 0 HA ARG A 3 30.092 34.607 37.572 1.00 0.00 H new ATOM 0 HB2 ARG A 3 31.718 35.686 38.769 1.00 0.00 H new ATOM 0 HB3 ARG A 3 30.652 35.194 40.070 1.00 0.00 H new ATOM 0 HG2 ARG A 3 33.298 33.930 39.313 1.00 0.00 H new ATOM 0 HG3 ARG A 3 32.964 34.919 40.721 1.00 0.00 H new ATOM 0 HD2 ARG A 3 32.664 32.988 41.829 1.00 0.00 H new ATOM 0 HD3 ARG A 3 31.114 32.890 41.017 1.00 0.00 H new ATOM 0 HE ARG A 3 33.526 31.685 39.733 1.00 0.00 H new ATOM 0 HH11 ARG A 3 30.133 31.411 40.319 1.00 0.00 H new ATOM 0 HH12 ARG A 3 30.131 29.651 40.161 1.00 0.00 H new ATOM 0 HH21 ARG A 3 33.541 29.352 39.944 1.00 0.00 H new ATOM 0 HH22 ARG A 3 31.973 28.539 39.959 1.00 0.00 H new ATOM 51 N PRO A 4 32.309 33.466 36.611 1.00 0.00 N ATOM 52 CA PRO A 4 33.271 32.570 35.953 1.00 0.00 C ATOM 53 C PRO A 4 34.122 31.778 36.961 1.00 0.00 C ATOM 54 O PRO A 4 34.514 32.265 38.015 1.00 0.00 O ATOM 55 CB PRO A 4 34.118 33.445 35.035 1.00 0.00 C ATOM 56 CG PRO A 4 33.780 34.895 35.379 1.00 0.00 C ATOM 57 CD PRO A 4 32.433 34.821 36.089 1.00 0.00 C ATOM 0 HA PRO A 4 32.750 31.804 35.379 1.00 0.00 H new ATOM 0 HB2 PRO A 4 35.180 33.249 35.184 1.00 0.00 H new ATOM 0 HB3 PRO A 4 33.899 33.234 33.988 1.00 0.00 H new ATOM 0 HG2 PRO A 4 34.542 35.338 36.021 1.00 0.00 H new ATOM 0 HG3 PRO A 4 33.721 35.511 34.482 1.00 0.00 H new ATOM 0 HD2 PRO A 4 32.380 35.553 36.895 1.00 0.00 H new ATOM 0 HD3 PRO A 4 31.619 35.046 35.400 1.00 0.00 H new ATOM 65 N LYS A 5 34.469 30.528 36.620 1.00 0.00 N ATOM 66 CA LYS A 5 35.314 29.691 37.488 1.00 0.00 C ATOM 67 C LYS A 5 36.770 30.151 37.539 1.00 0.00 C ATOM 68 O LYS A 5 37.428 29.908 38.534 1.00 0.00 O ATOM 69 CB LYS A 5 35.193 28.198 37.134 1.00 0.00 C ATOM 70 CG LYS A 5 35.986 27.801 35.875 1.00 0.00 C ATOM 71 CD LYS A 5 35.813 26.299 35.580 1.00 0.00 C ATOM 72 CE LYS A 5 36.744 25.818 34.467 1.00 0.00 C ATOM 73 NZ LYS A 5 36.452 26.423 33.139 1.00 0.00 N ATOM 0 H LYS A 5 34.179 30.075 35.753 1.00 0.00 H new ATOM 0 HA LYS A 5 34.928 29.820 38.499 1.00 0.00 H new ATOM 0 HB2 LYS A 5 35.543 27.603 37.977 1.00 0.00 H new ATOM 0 HB3 LYS A 5 34.142 27.952 36.985 1.00 0.00 H new ATOM 0 HG2 LYS A 5 35.643 28.387 35.022 1.00 0.00 H new ATOM 0 HG3 LYS A 5 37.042 28.031 36.016 1.00 0.00 H new ATOM 0 HD2 LYS A 5 36.009 25.727 36.487 1.00 0.00 H new ATOM 0 HD3 LYS A 5 34.779 26.103 35.296 1.00 0.00 H new ATOM 0 HE2 LYS A 5 37.773 26.047 34.742 1.00 0.00 H new ATOM 0 HE3 LYS A 5 36.670 24.734 34.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 37.121 26.052 32.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 35.481 26.184 32.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 36.550 27.457 33.199 1.00 0.00 H new ATOM 87 N PHE A 6 37.251 30.851 36.507 1.00 0.00 N ATOM 88 CA PHE A 6 38.607 31.389 36.513 1.00 0.00 C ATOM 89 C PHE A 6 38.833 32.408 37.626 1.00 0.00 C ATOM 90 O PHE A 6 39.952 32.589 38.068 1.00 0.00 O ATOM 91 CB PHE A 6 38.967 31.966 35.132 1.00 0.00 C ATOM 92 CG PHE A 6 38.121 33.126 34.633 1.00 0.00 C ATOM 93 CD1 PHE A 6 38.147 34.358 35.294 1.00 0.00 C ATOM 94 CD2 PHE A 6 37.381 33.012 33.437 1.00 0.00 C ATOM 95 CE1 PHE A 6 37.411 35.459 34.829 1.00 0.00 C ATOM 96 CE2 PHE A 6 36.655 34.122 32.953 1.00 0.00 C ATOM 97 CZ PHE A 6 36.670 35.336 33.654 1.00 0.00 C ATOM 0 H PHE A 6 36.720 31.056 35.661 1.00 0.00 H new ATOM 0 HA PHE A 6 39.281 30.559 36.725 1.00 0.00 H new ATOM 0 HB2 PHE A 6 40.007 32.291 35.160 1.00 0.00 H new ATOM 0 HB3 PHE A 6 38.905 31.160 34.400 1.00 0.00 H new ATOM 0 HD1 PHE A 6 38.748 34.465 36.185 1.00 0.00 H new ATOM 0 HD2 PHE A 6 37.370 32.079 32.894 1.00 0.00 H new ATOM 0 HE1 PHE A 6 37.418 36.391 35.375 1.00 0.00 H new ATOM 0 HE2 PHE A 6 36.086 34.036 32.039 1.00 0.00 H new ATOM 0 HZ PHE A 6 36.106 36.179 33.283 1.00 0.00 H new ATOM 107 N CYS A 7 37.766 33.019 38.170 1.00 0.00 N ATOM 108 CA CYS A 7 37.831 33.869 39.355 1.00 0.00 C ATOM 109 C CYS A 7 38.387 33.142 40.584 1.00 0.00 C ATOM 110 O CYS A 7 38.729 33.816 41.551 1.00 0.00 O ATOM 111 CB CYS A 7 36.430 34.430 39.643 1.00 0.00 C ATOM 112 SG CYS A 7 35.774 35.515 38.360 1.00 0.00 S ATOM 0 H CYS A 7 36.824 32.930 37.788 1.00 0.00 H new ATOM 0 HA CYS A 7 38.528 34.681 39.146 1.00 0.00 H new ATOM 0 HB2 CYS A 7 35.741 33.597 39.782 1.00 0.00 H new ATOM 0 HB3 CYS A 7 36.460 34.979 40.584 1.00 0.00 H new ATOM 117 N TYR A 8 38.456 31.812 40.579 1.00 0.00 N ATOM 118 CA TYR A 8 39.065 31.020 41.650 1.00 0.00 C ATOM 119 C TYR A 8 40.579 30.895 41.532 1.00 0.00 C ATOM 120 O TYR A 8 41.208 30.511 42.520 1.00 0.00 O ATOM 121 CB TYR A 8 38.443 29.617 41.701 1.00 0.00 C ATOM 122 CG TYR A 8 37.058 29.560 42.329 1.00 0.00 C ATOM 123 CD1 TYR A 8 35.967 30.214 41.741 1.00 0.00 C ATOM 124 CD2 TYR A 8 36.883 28.848 43.539 1.00 0.00 C ATOM 125 CE1 TYR A 8 34.712 30.167 42.372 1.00 0.00 C ATOM 126 CE2 TYR A 8 35.618 28.770 44.141 1.00 0.00 C ATOM 127 CZ TYR A 8 34.528 29.425 43.553 1.00 0.00 C ATOM 128 OH TYR A 8 33.285 29.375 44.094 1.00 0.00 O ATOM 0 H TYR A 8 38.084 31.243 39.818 1.00 0.00 H new ATOM 0 HA TYR A 8 38.859 31.562 42.573 1.00 0.00 H new ATOM 0 HB2 TYR A 8 38.384 29.223 40.686 1.00 0.00 H new ATOM 0 HB3 TYR A 8 39.108 28.959 42.260 1.00 0.00 H new ATOM 0 HD1 TYR A 8 36.089 30.749 40.811 1.00 0.00 H new ATOM 0 HD2 TYR A 8 37.729 28.361 44.002 1.00 0.00 H new ATOM 0 HE1 TYR A 8 33.879 30.707 41.945 1.00 0.00 H new ATOM 0 HE2 TYR A 8 35.485 28.208 45.053 1.00 0.00 H new ATOM 0 HH TYR A 8 33.304 28.827 44.906 1.00 0.00 H new ATOM 138 N LEU A 9 41.165 31.201 40.375 1.00 0.00 N ATOM 139 CA LEU A 9 42.602 31.122 40.153 1.00 0.00 C ATOM 140 C LEU A 9 43.291 32.040 41.180 1.00 0.00 C ATOM 141 O LEU A 9 43.013 33.248 41.154 1.00 0.00 O ATOM 142 CB LEU A 9 42.934 31.527 38.706 1.00 0.00 C ATOM 143 CG LEU A 9 42.426 30.499 37.667 1.00 0.00 C ATOM 144 CD1 LEU A 9 42.367 31.062 36.245 1.00 0.00 C ATOM 145 CD2 LEU A 9 43.326 29.262 37.629 1.00 0.00 C ATOM 0 H LEU A 9 40.644 31.515 39.556 1.00 0.00 H new ATOM 0 HA LEU A 9 42.963 30.103 40.288 1.00 0.00 H new ATOM 0 HB2 LEU A 9 42.491 32.500 38.495 1.00 0.00 H new ATOM 0 HB3 LEU A 9 44.013 31.639 38.603 1.00 0.00 H new ATOM 0 HG LEU A 9 41.418 30.242 37.991 1.00 0.00 H new ATOM 0 HD11 LEU A 9 42.003 30.293 35.564 1.00 0.00 H new ATOM 0 HD12 LEU A 9 41.692 31.917 36.220 1.00 0.00 H new ATOM 0 HD13 LEU A 9 43.364 31.377 35.937 1.00 0.00 H new ATOM 0 HD21 LEU A 9 42.945 28.557 36.890 1.00 0.00 H new ATOM 0 HD22 LEU A 9 44.340 29.558 37.359 1.00 0.00 H new ATOM 0 HD23 LEU A 9 43.336 28.789 38.611 1.00 0.00 H new ATOM 157 N PRO A 10 44.112 31.515 42.108 1.00 0.00 N ATOM 158 CA PRO A 10 44.863 32.312 43.082 1.00 0.00 C ATOM 159 C PRO A 10 45.683 33.394 42.386 1.00 0.00 C ATOM 160 O PRO A 10 45.983 33.247 41.197 1.00 0.00 O ATOM 161 CB PRO A 10 45.762 31.331 43.826 1.00 0.00 C ATOM 162 CG PRO A 10 44.983 30.022 43.730 1.00 0.00 C ATOM 163 CD PRO A 10 44.386 30.103 42.331 1.00 0.00 C ATOM 0 HA PRO A 10 44.195 32.831 43.769 1.00 0.00 H new ATOM 0 HB2 PRO A 10 46.745 31.252 43.363 1.00 0.00 H new ATOM 0 HB3 PRO A 10 45.921 31.633 44.861 1.00 0.00 H new ATOM 0 HG2 PRO A 10 45.631 29.153 43.846 1.00 0.00 H new ATOM 0 HG3 PRO A 10 44.213 29.950 44.498 1.00 0.00 H new ATOM 0 HD2 PRO A 10 45.080 29.715 41.585 1.00 0.00 H new ATOM 0 HD3 PRO A 10 43.475 29.510 42.258 1.00 0.00 H new ATOM 171 N ASP A 11 46.039 34.471 43.100 1.00 0.00 N ATOM 172 CA ASP A 11 46.826 35.557 42.523 1.00 0.00 C ATOM 173 C ASP A 11 48.144 35.016 41.953 1.00 0.00 C ATOM 174 O ASP A 11 49.048 34.655 42.698 1.00 0.00 O ATOM 175 CB ASP A 11 47.024 36.711 43.522 1.00 0.00 C ATOM 176 CG ASP A 11 47.613 36.360 44.909 1.00 0.00 C ATOM 177 OD1 ASP A 11 46.823 35.965 45.803 1.00 0.00 O ATOM 178 OD2 ASP A 11 48.775 36.715 45.156 1.00 0.00 O ATOM 0 H ASP A 11 45.791 34.609 44.080 1.00 0.00 H new ATOM 0 HA ASP A 11 46.270 35.986 41.689 1.00 0.00 H new ATOM 0 HB2 ASP A 11 47.676 37.451 43.057 1.00 0.00 H new ATOM 0 HB3 ASP A 11 46.058 37.191 43.678 1.00 0.00 H new ATOM 183 N ASP A 12 48.217 34.912 40.617 1.00 0.00 N ATOM 184 CA ASP A 12 49.359 34.335 39.903 1.00 0.00 C ATOM 185 C ASP A 12 49.993 35.421 39.023 1.00 0.00 C ATOM 186 O ASP A 12 49.711 35.530 37.831 1.00 0.00 O ATOM 187 CB ASP A 12 48.946 33.096 39.103 1.00 0.00 C ATOM 188 CG ASP A 12 50.195 32.424 38.515 1.00 0.00 C ATOM 189 OD1 ASP A 12 50.483 32.626 37.314 1.00 0.00 O ATOM 190 OD2 ASP A 12 50.901 31.753 39.305 1.00 0.00 O ATOM 0 H ASP A 12 47.473 35.232 39.997 1.00 0.00 H new ATOM 0 HA ASP A 12 50.106 33.991 40.618 1.00 0.00 H new ATOM 0 HB2 ASP A 12 48.413 32.396 39.746 1.00 0.00 H new ATOM 0 HB3 ASP A 12 48.262 33.378 38.303 1.00 0.00 H new ATOM 195 N PRO A 13 50.834 36.305 39.585 1.00 0.00 N ATOM 196 CA PRO A 13 51.636 37.254 38.803 1.00 0.00 C ATOM 197 C PRO A 13 52.625 36.618 37.817 1.00 0.00 C ATOM 198 O PRO A 13 53.211 37.324 36.988 1.00 0.00 O ATOM 199 CB PRO A 13 52.376 38.074 39.855 1.00 0.00 C ATOM 200 CG PRO A 13 52.381 37.225 41.114 1.00 0.00 C ATOM 201 CD PRO A 13 51.068 36.473 41.016 1.00 0.00 C ATOM 0 HA PRO A 13 50.984 37.839 38.155 1.00 0.00 H new ATOM 0 HB2 PRO A 13 53.392 38.299 39.531 1.00 0.00 H new ATOM 0 HB3 PRO A 13 51.878 39.028 40.029 1.00 0.00 H new ATOM 0 HG2 PRO A 13 53.234 36.547 41.142 1.00 0.00 H new ATOM 0 HG3 PRO A 13 52.431 37.837 42.015 1.00 0.00 H new ATOM 0 HD2 PRO A 13 51.127 35.509 41.522 1.00 0.00 H new ATOM 0 HD3 PRO A 13 50.258 37.031 41.485 1.00 0.00 H new ATOM 209 N GLY A 14 52.860 35.313 37.956 1.00 0.00 N ATOM 210 CA GLY A 14 53.893 34.556 37.265 1.00 0.00 C ATOM 211 C GLY A 14 55.277 34.724 37.884 1.00 0.00 C ATOM 212 O GLY A 14 55.457 35.222 38.993 1.00 0.00 O ATOM 0 H GLY A 14 52.306 34.731 38.585 1.00 0.00 H new ATOM 0 HA2 GLY A 14 53.625 33.499 37.271 1.00 0.00 H new ATOM 0 HA3 GLY A 14 53.928 34.870 36.222 1.00 0.00 H new ATOM 216 N VAL A 15 56.298 34.335 37.121 1.00 0.00 N ATOM 217 CA VAL A 15 57.708 34.288 37.568 1.00 0.00 C ATOM 218 C VAL A 15 58.508 35.553 37.256 1.00 0.00 C ATOM 219 O VAL A 15 59.490 35.841 37.931 1.00 0.00 O ATOM 220 CB VAL A 15 58.380 33.014 37.025 1.00 0.00 C ATOM 221 CG1 VAL A 15 58.308 32.913 35.495 1.00 0.00 C ATOM 222 CG2 VAL A 15 59.841 32.876 37.456 1.00 0.00 C ATOM 0 H VAL A 15 56.176 34.036 36.154 1.00 0.00 H new ATOM 0 HA VAL A 15 57.699 34.248 38.657 1.00 0.00 H new ATOM 0 HB VAL A 15 57.807 32.198 37.465 1.00 0.00 H new ATOM 0 HG11 VAL A 15 58.797 31.996 35.167 1.00 0.00 H new ATOM 0 HG12 VAL A 15 57.265 32.900 35.180 1.00 0.00 H new ATOM 0 HG13 VAL A 15 58.811 33.771 35.050 1.00 0.00 H new ATOM 0 HG21 VAL A 15 60.258 31.958 37.041 1.00 0.00 H new ATOM 0 HG22 VAL A 15 60.410 33.731 37.091 1.00 0.00 H new ATOM 0 HG23 VAL A 15 59.898 32.841 38.544 1.00 0.00 H new ATOM 232 N CYS A 16 58.086 36.369 36.278 1.00 0.00 N ATOM 233 CA CYS A 16 58.828 37.571 35.876 1.00 0.00 C ATOM 234 C CYS A 16 58.994 38.600 36.998 1.00 0.00 C ATOM 235 O CYS A 16 59.870 39.452 36.912 1.00 0.00 O ATOM 236 CB CYS A 16 58.111 38.269 34.715 1.00 0.00 C ATOM 237 SG CYS A 16 58.744 37.919 33.061 1.00 0.00 S ATOM 0 H CYS A 16 57.228 36.215 35.748 1.00 0.00 H new ATOM 0 HA CYS A 16 59.819 37.217 35.591 1.00 0.00 H new ATOM 0 HB2 CYS A 16 57.058 37.989 34.745 1.00 0.00 H new ATOM 0 HB3 CYS A 16 58.160 39.345 34.880 1.00 0.00 H new ATOM 242 N LYS A 17 58.139 38.538 38.030 1.00 0.00 N ATOM 243 CA LYS A 17 58.065 39.466 39.169 1.00 0.00 C ATOM 244 C LYS A 17 57.754 40.912 38.784 1.00 0.00 C ATOM 245 O LYS A 17 56.692 41.388 39.142 1.00 0.00 O ATOM 246 CB LYS A 17 59.355 39.371 40.014 1.00 0.00 C ATOM 247 CG LYS A 17 59.599 38.003 40.665 1.00 0.00 C ATOM 248 CD LYS A 17 58.575 37.581 41.725 1.00 0.00 C ATOM 249 CE LYS A 17 58.898 38.139 43.116 1.00 0.00 C ATOM 250 NZ LYS A 17 58.836 39.622 43.186 1.00 0.00 N ATOM 0 H LYS A 17 57.441 37.797 38.096 1.00 0.00 H new ATOM 0 HA LYS A 17 57.212 39.148 39.769 1.00 0.00 H new ATOM 0 HB2 LYS A 17 60.207 39.612 39.379 1.00 0.00 H new ATOM 0 HB3 LYS A 17 59.316 40.128 40.797 1.00 0.00 H new ATOM 0 HG2 LYS A 17 59.617 37.246 39.881 1.00 0.00 H new ATOM 0 HG3 LYS A 17 60.588 38.010 41.124 1.00 0.00 H new ATOM 0 HD2 LYS A 17 57.584 37.921 41.423 1.00 0.00 H new ATOM 0 HD3 LYS A 17 58.537 36.493 41.775 1.00 0.00 H new ATOM 0 HE2 LYS A 17 58.199 37.719 43.839 1.00 0.00 H new ATOM 0 HE3 LYS A 17 59.895 37.810 43.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 58.640 39.915 44.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 59.746 40.022 42.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 58.078 39.968 42.563 1.00 0.00 H new ATOM 264 N ALA A 18 58.687 41.575 38.084 1.00 0.00 N ATOM 265 CA ALA A 18 58.668 42.982 37.678 1.00 0.00 C ATOM 266 C ALA A 18 57.946 43.882 38.711 1.00 0.00 C ATOM 267 O ALA A 18 58.198 43.753 39.913 1.00 0.00 O ATOM 268 CB ALA A 18 58.152 43.102 36.230 1.00 0.00 C ATOM 0 H ALA A 18 59.534 41.105 37.766 1.00 0.00 H new ATOM 0 HA ALA A 18 59.686 43.372 37.671 1.00 0.00 H new ATOM 0 HB1 ALA A 18 58.140 44.151 35.934 1.00 0.00 H new ATOM 0 HB2 ALA A 18 58.808 42.544 35.562 1.00 0.00 H new ATOM 0 HB3 ALA A 18 57.142 42.696 36.169 1.00 0.00 H new ATOM 274 N HIS A 19 57.101 44.802 38.240 1.00 0.00 N ATOM 275 CA HIS A 19 56.244 45.597 39.124 1.00 0.00 C ATOM 276 C HIS A 19 55.058 46.216 38.384 1.00 0.00 C ATOM 277 O HIS A 19 55.151 47.362 37.939 1.00 0.00 O ATOM 278 CB HIS A 19 57.100 46.676 39.831 1.00 0.00 C ATOM 279 CG HIS A 19 56.475 47.134 41.121 1.00 0.00 C ATOM 280 ND1 HIS A 19 57.007 46.918 42.372 1.00 0.00 N ATOM 281 CD2 HIS A 19 55.317 47.843 41.260 1.00 0.00 C ATOM 282 CE1 HIS A 19 56.180 47.493 43.274 1.00 0.00 C ATOM 283 NE2 HIS A 19 55.142 48.056 42.620 1.00 0.00 N ATOM 0 H HIS A 19 56.992 45.016 37.249 1.00 0.00 H new ATOM 0 HA HIS A 19 55.814 44.932 39.873 1.00 0.00 H new ATOM 0 HB2 HIS A 19 58.094 46.276 40.031 1.00 0.00 H new ATOM 0 HB3 HIS A 19 57.228 47.530 39.166 1.00 0.00 H new ATOM 0 HD2 HIS A 19 54.664 48.174 40.466 1.00 0.00 H new ATOM 0 HE1 HIS A 19 56.326 47.501 44.344 1.00 0.00 H new ATOM 0 HE2 HIS A 19 54.363 48.553 43.052 1.00 0.00 H new ATOM 292 N ILE A 20 53.924 45.516 38.289 1.00 0.00 N ATOM 293 CA ILE A 20 52.726 46.057 37.622 1.00 0.00 C ATOM 294 C ILE A 20 51.495 45.870 38.538 1.00 0.00 C ATOM 295 O ILE A 20 51.175 44.728 38.858 1.00 0.00 O ATOM 296 CB ILE A 20 52.524 45.430 36.226 1.00 0.00 C ATOM 297 CG1 ILE A 20 53.865 45.253 35.464 1.00 0.00 C ATOM 298 CG2 ILE A 20 51.537 46.319 35.452 1.00 0.00 C ATOM 299 CD1 ILE A 20 53.753 44.873 33.982 1.00 0.00 C ATOM 0 H ILE A 20 53.806 44.575 38.663 1.00 0.00 H new ATOM 0 HA ILE A 20 52.863 47.125 37.454 1.00 0.00 H new ATOM 0 HB ILE A 20 52.117 44.424 36.330 1.00 0.00 H new ATOM 0 HG12 ILE A 20 54.427 46.184 35.538 1.00 0.00 H new ATOM 0 HG13 ILE A 20 54.450 44.486 35.972 1.00 0.00 H new ATOM 0 HG21 ILE A 20 51.373 45.901 34.459 1.00 0.00 H new ATOM 0 HG22 ILE A 20 50.589 46.363 35.988 1.00 0.00 H new ATOM 0 HG23 ILE A 20 51.948 47.324 35.360 1.00 0.00 H new ATOM 0 HD11 ILE A 20 54.751 44.777 33.555 1.00 0.00 H new ATOM 0 HD12 ILE A 20 53.225 43.924 33.889 1.00 0.00 H new ATOM 0 HD13 ILE A 20 53.203 45.648 33.448 1.00 0.00 H new ATOM 311 N PRO A 21 50.807 46.941 38.977 1.00 0.00 N ATOM 312 CA PRO A 21 49.597 46.830 39.792 1.00 0.00 C ATOM 313 C PRO A 21 48.540 45.960 39.093 1.00 0.00 C ATOM 314 O PRO A 21 48.094 46.292 37.991 1.00 0.00 O ATOM 315 CB PRO A 21 49.092 48.255 40.023 1.00 0.00 C ATOM 316 CG PRO A 21 50.361 49.098 39.856 1.00 0.00 C ATOM 317 CD PRO A 21 51.142 48.347 38.789 1.00 0.00 C ATOM 0 HA PRO A 21 49.808 46.342 40.743 1.00 0.00 H new ATOM 0 HB2 PRO A 21 48.324 48.534 39.302 1.00 0.00 H new ATOM 0 HB3 PRO A 21 48.656 48.373 41.015 1.00 0.00 H new ATOM 0 HG2 PRO A 21 50.129 50.116 39.543 1.00 0.00 H new ATOM 0 HG3 PRO A 21 50.921 49.171 40.788 1.00 0.00 H new ATOM 0 HD2 PRO A 21 50.867 48.686 37.790 1.00 0.00 H new ATOM 0 HD3 PRO A 21 52.214 48.513 38.898 1.00 0.00 H new ATOM 325 N ARG A 22 48.172 44.838 39.712 1.00 0.00 N ATOM 326 CA ARG A 22 47.212 43.893 39.138 1.00 0.00 C ATOM 327 C ARG A 22 46.379 43.294 40.258 1.00 0.00 C ATOM 328 O ARG A 22 46.870 42.708 41.210 1.00 0.00 O ATOM 329 CB ARG A 22 47.979 42.840 38.331 1.00 0.00 C ATOM 330 CG ARG A 22 47.181 42.198 37.181 1.00 0.00 C ATOM 331 CD ARG A 22 46.913 43.168 36.012 1.00 0.00 C ATOM 332 NE ARG A 22 48.148 43.573 35.319 1.00 0.00 N ATOM 333 CZ ARG A 22 48.192 44.165 34.139 1.00 0.00 C ATOM 334 NH1 ARG A 22 47.137 44.457 33.453 1.00 0.00 N ATOM 335 NH2 ARG A 22 49.344 44.444 33.598 1.00 0.00 N ATOM 0 H ARG A 22 48.530 44.558 40.625 1.00 0.00 H new ATOM 0 HA ARG A 22 46.522 44.388 38.454 1.00 0.00 H new ATOM 0 HB2 ARG A 22 48.876 43.302 37.918 1.00 0.00 H new ATOM 0 HB3 ARG A 22 48.309 42.053 39.009 1.00 0.00 H new ATOM 0 HG2 ARG A 22 47.727 41.332 36.808 1.00 0.00 H new ATOM 0 HG3 ARG A 22 46.229 41.833 37.567 1.00 0.00 H new ATOM 0 HD2 ARG A 22 46.239 42.694 35.299 1.00 0.00 H new ATOM 0 HD3 ARG A 22 46.405 44.055 36.390 1.00 0.00 H new ATOM 0 HE ARG A 22 49.035 43.382 35.785 1.00 0.00 H new ATOM 0 HH11 ARG A 22 46.212 44.230 33.818 1.00 0.00 H new ATOM 0 HH12 ARG A 22 47.229 44.915 32.546 1.00 0.00 H new ATOM 0 HH21 ARG A 22 50.208 44.205 34.086 1.00 0.00 H new ATOM 0 HH22 ARG A 22 49.382 44.901 32.687 1.00 0.00 H new ATOM 349 N PHE A 23 45.079 43.515 40.189 1.00 0.00 N ATOM 350 CA PHE A 23 44.128 43.021 41.163 1.00 0.00 C ATOM 351 C PHE A 23 43.597 41.663 40.734 1.00 0.00 C ATOM 352 O PHE A 23 43.698 41.275 39.568 1.00 0.00 O ATOM 353 CB PHE A 23 43.036 44.071 41.362 1.00 0.00 C ATOM 354 CG PHE A 23 43.489 45.309 42.113 1.00 0.00 C ATOM 355 CD1 PHE A 23 42.927 45.617 43.371 1.00 0.00 C ATOM 356 CD2 PHE A 23 44.477 46.158 41.579 1.00 0.00 C ATOM 357 CE1 PHE A 23 43.313 46.792 44.032 1.00 0.00 C ATOM 358 CE2 PHE A 23 44.843 47.342 42.240 1.00 0.00 C ATOM 359 CZ PHE A 23 44.251 47.659 43.467 1.00 0.00 C ATOM 0 H PHE A 23 44.648 44.054 39.438 1.00 0.00 H new ATOM 0 HA PHE A 23 44.606 42.863 42.130 1.00 0.00 H new ATOM 0 HB2 PHE A 23 42.655 44.372 40.386 1.00 0.00 H new ATOM 0 HB3 PHE A 23 42.205 43.616 41.902 1.00 0.00 H new ATOM 0 HD1 PHE A 23 42.205 44.952 43.821 1.00 0.00 H new ATOM 0 HD2 PHE A 23 44.960 45.896 40.649 1.00 0.00 H new ATOM 0 HE1 PHE A 23 42.879 47.030 44.992 1.00 0.00 H new ATOM 0 HE2 PHE A 23 45.577 48.003 41.804 1.00 0.00 H new ATOM 0 HZ PHE A 23 44.519 48.573 43.977 1.00 0.00 H new ATOM 369 N TYR A 24 43.020 40.909 41.655 1.00 0.00 N ATOM 370 CA TYR A 24 42.376 39.633 41.320 1.00 0.00 C ATOM 371 C TYR A 24 41.175 39.396 42.230 1.00 0.00 C ATOM 372 O TYR A 24 41.026 40.060 43.275 1.00 0.00 O ATOM 373 CB TYR A 24 43.414 38.500 41.343 1.00 0.00 C ATOM 374 CG TYR A 24 43.371 37.588 42.543 1.00 0.00 C ATOM 375 CD1 TYR A 24 43.396 38.131 43.837 1.00 0.00 C ATOM 376 CD2 TYR A 24 43.234 36.201 42.364 1.00 0.00 C ATOM 377 CE1 TYR A 24 43.224 37.296 44.940 1.00 0.00 C ATOM 378 CE2 TYR A 24 43.053 35.366 43.478 1.00 0.00 C ATOM 379 CZ TYR A 24 43.068 35.909 44.772 1.00 0.00 C ATOM 380 OH TYR A 24 42.907 35.113 45.855 1.00 0.00 O ATOM 0 H TYR A 24 42.980 41.152 42.645 1.00 0.00 H new ATOM 0 HA TYR A 24 41.981 39.661 40.305 1.00 0.00 H new ATOM 0 HB2 TYR A 24 43.281 37.894 40.446 1.00 0.00 H new ATOM 0 HB3 TYR A 24 44.408 38.943 41.284 1.00 0.00 H new ATOM 0 HD1 TYR A 24 43.548 39.191 43.978 1.00 0.00 H new ATOM 0 HD2 TYR A 24 43.268 35.778 41.371 1.00 0.00 H new ATOM 0 HE1 TYR A 24 43.210 37.719 45.934 1.00 0.00 H new ATOM 0 HE2 TYR A 24 42.902 34.306 43.339 1.00 0.00 H new ATOM 0 HH TYR A 24 42.812 34.182 45.565 1.00 0.00 H new ATOM 390 N TYR A 25 40.300 38.458 41.858 1.00 0.00 N ATOM 391 CA TYR A 25 39.162 38.079 42.694 1.00 0.00 C ATOM 392 C TYR A 25 39.586 36.982 43.660 1.00 0.00 C ATOM 393 O TYR A 25 40.104 35.960 43.226 1.00 0.00 O ATOM 394 CB TYR A 25 37.955 37.614 41.868 1.00 0.00 C ATOM 395 CG TYR A 25 36.747 37.264 42.701 1.00 0.00 C ATOM 396 CD1 TYR A 25 35.956 38.288 43.249 1.00 0.00 C ATOM 397 CD2 TYR A 25 36.420 35.919 42.937 1.00 0.00 C ATOM 398 CE1 TYR A 25 34.839 37.947 44.043 1.00 0.00 C ATOM 399 CE2 TYR A 25 35.274 35.586 43.660 1.00 0.00 C ATOM 400 CZ TYR A 25 34.483 36.600 44.228 1.00 0.00 C ATOM 401 OH TYR A 25 33.388 36.267 44.953 1.00 0.00 O ATOM 0 H TYR A 25 40.360 37.946 40.978 1.00 0.00 H new ATOM 0 HA TYR A 25 38.848 38.966 43.245 1.00 0.00 H new ATOM 0 HB2 TYR A 25 37.684 38.400 41.164 1.00 0.00 H new ATOM 0 HB3 TYR A 25 38.243 36.744 41.279 1.00 0.00 H new ATOM 0 HD1 TYR A 25 36.199 39.324 43.065 1.00 0.00 H new ATOM 0 HD2 TYR A 25 37.060 35.137 42.556 1.00 0.00 H new ATOM 0 HE1 TYR A 25 34.255 38.726 44.511 1.00 0.00 H new ATOM 0 HE2 TYR A 25 34.995 34.550 43.783 1.00 0.00 H new ATOM 0 HH TYR A 25 33.294 35.292 44.975 1.00 0.00 H new ATOM 411 N ASN A 26 39.294 37.162 44.938 1.00 0.00 N ATOM 412 CA ASN A 26 39.505 36.167 45.977 1.00 0.00 C ATOM 413 C ASN A 26 38.148 35.614 46.432 1.00 0.00 C ATOM 414 O ASN A 26 37.483 36.237 47.266 1.00 0.00 O ATOM 415 CB ASN A 26 40.314 36.830 47.116 1.00 0.00 C ATOM 416 CG ASN A 26 40.715 35.826 48.170 1.00 0.00 C ATOM 417 OD1 ASN A 26 40.128 34.767 48.320 1.00 0.00 O ATOM 418 ND2 ASN A 26 41.703 36.148 48.974 1.00 0.00 N ATOM 0 H ASN A 26 38.892 38.030 45.291 1.00 0.00 H new ATOM 0 HA ASN A 26 40.079 35.314 45.616 1.00 0.00 H new ATOM 0 HB2 ASN A 26 41.206 37.301 46.703 1.00 0.00 H new ATOM 0 HB3 ASN A 26 39.719 37.621 47.573 1.00 0.00 H new ATOM 0 HD21 ASN A 26 41.979 35.513 49.723 1.00 0.00 H new ATOM 0 HD22 ASN A 26 42.194 37.033 48.849 1.00 0.00 H new ATOM 425 N PRO A 27 37.718 34.434 45.930 1.00 0.00 N ATOM 426 CA PRO A 27 36.471 33.810 46.360 1.00 0.00 C ATOM 427 C PRO A 27 36.457 33.489 47.851 1.00 0.00 C ATOM 428 O PRO A 27 35.430 33.694 48.480 1.00 0.00 O ATOM 429 CB PRO A 27 36.319 32.513 45.558 1.00 0.00 C ATOM 430 CG PRO A 27 37.326 32.622 44.428 1.00 0.00 C ATOM 431 CD PRO A 27 38.368 33.624 44.911 1.00 0.00 C ATOM 0 HA PRO A 27 35.649 34.503 46.184 1.00 0.00 H new ATOM 0 HB2 PRO A 27 36.518 31.640 46.180 1.00 0.00 H new ATOM 0 HB3 PRO A 27 35.305 32.405 45.173 1.00 0.00 H new ATOM 0 HG2 PRO A 27 37.781 31.655 44.212 1.00 0.00 H new ATOM 0 HG3 PRO A 27 36.850 32.963 43.509 1.00 0.00 H new ATOM 0 HD2 PRO A 27 39.239 33.112 45.319 1.00 0.00 H new ATOM 0 HD3 PRO A 27 38.720 34.245 44.088 1.00 0.00 H new ATOM 439 N ALA A 28 37.597 33.044 48.414 1.00 0.00 N ATOM 440 CA ALA A 28 37.695 32.650 49.820 1.00 0.00 C ATOM 441 C ALA A 28 37.314 33.790 50.765 1.00 0.00 C ATOM 442 O ALA A 28 36.700 33.560 51.808 1.00 0.00 O ATOM 443 CB ALA A 28 39.122 32.157 50.092 1.00 0.00 C ATOM 0 H ALA A 28 38.473 32.950 47.900 1.00 0.00 H new ATOM 0 HA ALA A 28 36.984 31.847 50.012 1.00 0.00 H new ATOM 0 HB1 ALA A 28 39.211 31.859 51.137 1.00 0.00 H new ATOM 0 HB2 ALA A 28 39.340 31.302 49.451 1.00 0.00 H new ATOM 0 HB3 ALA A 28 39.830 32.958 49.881 1.00 0.00 H new ATOM 449 N SER A 29 37.605 35.040 50.381 1.00 0.00 N ATOM 450 CA SER A 29 37.179 36.232 51.122 1.00 0.00 C ATOM 451 C SER A 29 35.979 36.955 50.489 1.00 0.00 C ATOM 452 O SER A 29 35.559 37.980 51.025 1.00 0.00 O ATOM 453 CB SER A 29 38.349 37.205 51.289 1.00 0.00 C ATOM 454 OG SER A 29 39.470 36.560 51.858 1.00 0.00 O ATOM 0 H SER A 29 38.146 35.253 49.543 1.00 0.00 H new ATOM 0 HA SER A 29 36.848 35.878 52.098 1.00 0.00 H new ATOM 0 HB2 SER A 29 38.620 37.623 50.319 1.00 0.00 H new ATOM 0 HB3 SER A 29 38.045 38.039 51.922 1.00 0.00 H new ATOM 0 HG SER A 29 40.204 37.202 51.953 1.00 0.00 H new ATOM 460 N ASN A 30 35.460 36.504 49.350 1.00 0.00 N ATOM 461 CA ASN A 30 34.455 37.202 48.532 1.00 0.00 C ATOM 462 C ASN A 30 34.875 38.641 48.115 1.00 0.00 C ATOM 463 O ASN A 30 34.038 39.476 47.777 1.00 0.00 O ATOM 464 CB ASN A 30 33.098 37.107 49.242 1.00 0.00 C ATOM 465 CG ASN A 30 31.933 37.644 48.435 1.00 0.00 C ATOM 466 OD1 ASN A 30 31.390 38.709 48.667 1.00 0.00 O ATOM 467 ND2 ASN A 30 31.492 36.898 47.448 1.00 0.00 N ATOM 0 H ASN A 30 35.735 35.607 48.950 1.00 0.00 H new ATOM 0 HA ASN A 30 34.367 36.702 47.567 1.00 0.00 H new ATOM 0 HB2 ASN A 30 32.903 36.064 49.490 1.00 0.00 H new ATOM 0 HB3 ASN A 30 33.155 37.653 50.184 1.00 0.00 H new ATOM 0 HD21 ASN A 30 30.702 37.213 46.885 1.00 0.00 H new ATOM 0 HD22 ASN A 30 31.939 36.004 47.245 1.00 0.00 H new ATOM 474 N LYS A 31 36.163 38.960 48.136 1.00 0.00 N ATOM 475 CA LYS A 31 36.690 40.326 47.904 1.00 0.00 C ATOM 476 C LYS A 31 37.835 40.320 46.901 1.00 0.00 C ATOM 477 O LYS A 31 38.331 39.270 46.517 1.00 0.00 O ATOM 478 CB LYS A 31 37.103 40.992 49.233 1.00 0.00 C ATOM 479 CG LYS A 31 35.967 41.199 50.250 1.00 0.00 C ATOM 480 CD LYS A 31 34.802 42.097 49.781 1.00 0.00 C ATOM 481 CE LYS A 31 33.628 42.002 50.757 1.00 0.00 C ATOM 482 NZ LYS A 31 33.962 42.519 52.119 1.00 0.00 N ATOM 0 H LYS A 31 36.895 38.274 48.317 1.00 0.00 H new ATOM 0 HA LYS A 31 35.887 40.922 47.470 1.00 0.00 H new ATOM 0 HB2 LYS A 31 37.878 40.384 49.699 1.00 0.00 H new ATOM 0 HB3 LYS A 31 37.549 41.961 49.010 1.00 0.00 H new ATOM 0 HG2 LYS A 31 35.563 40.223 50.519 1.00 0.00 H new ATOM 0 HG3 LYS A 31 36.391 41.630 51.157 1.00 0.00 H new ATOM 0 HD2 LYS A 31 35.139 43.131 49.707 1.00 0.00 H new ATOM 0 HD3 LYS A 31 34.480 41.795 48.785 1.00 0.00 H new ATOM 0 HE2 LYS A 31 32.783 42.563 50.358 1.00 0.00 H new ATOM 0 HE3 LYS A 31 33.311 40.962 50.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 33.131 42.430 52.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 34.750 41.968 52.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 34.238 43.519 52.052 1.00 0.00 H new ATOM 496 N CYS A 32 38.238 41.498 46.452 1.00 0.00 N ATOM 497 CA CYS A 32 39.340 41.664 45.513 1.00 0.00 C ATOM 498 C CYS A 32 40.640 41.977 46.266 1.00 0.00 C ATOM 499 O CYS A 32 40.611 42.748 47.221 1.00 0.00 O ATOM 500 CB CYS A 32 38.986 42.771 44.538 1.00 0.00 C ATOM 501 SG CYS A 32 37.345 42.586 43.773 1.00 0.00 S ATOM 0 H CYS A 32 37.805 42.378 46.732 1.00 0.00 H new ATOM 0 HA CYS A 32 39.501 40.740 44.958 1.00 0.00 H new ATOM 0 HB2 CYS A 32 39.027 43.727 45.059 1.00 0.00 H new ATOM 0 HB3 CYS A 32 39.740 42.804 43.752 1.00 0.00 H new ATOM 506 N LYS A 33 41.775 41.448 45.800 1.00 0.00 N ATOM 507 CA LYS A 33 43.110 41.793 46.332 1.00 0.00 C ATOM 508 C LYS A 33 43.929 42.596 45.335 1.00 0.00 C ATOM 509 O LYS A 33 43.577 42.645 44.164 1.00 0.00 O ATOM 510 CB LYS A 33 43.888 40.542 46.792 1.00 0.00 C ATOM 511 CG LYS A 33 43.186 39.734 47.903 1.00 0.00 C ATOM 512 CD LYS A 33 44.183 38.855 48.676 1.00 0.00 C ATOM 513 CE LYS A 33 44.922 37.849 47.766 1.00 0.00 C ATOM 514 NZ LYS A 33 46.083 37.145 48.358 1.00 0.00 N ATOM 0 H LYS A 33 41.801 40.766 45.042 1.00 0.00 H new ATOM 0 HA LYS A 33 42.940 42.421 47.206 1.00 0.00 H new ATOM 0 HB2 LYS A 33 44.050 39.892 45.932 1.00 0.00 H new ATOM 0 HB3 LYS A 33 44.871 40.850 47.148 1.00 0.00 H new ATOM 0 HG2 LYS A 33 42.690 40.417 48.593 1.00 0.00 H new ATOM 0 HG3 LYS A 33 42.411 39.106 47.463 1.00 0.00 H new ATOM 0 HD2 LYS A 33 44.913 39.493 49.174 1.00 0.00 H new ATOM 0 HD3 LYS A 33 43.652 38.310 49.456 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.204 37.100 47.433 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.263 38.381 46.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 46.575 36.604 47.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 46.737 37.840 48.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.754 36.496 49.101 1.00 0.00 H new ATOM 528 N GLU A 34 44.994 43.218 45.821 1.00 0.00 N ATOM 529 CA GLU A 34 45.998 43.960 45.051 1.00 0.00 C ATOM 530 C GLU A 34 47.293 43.137 45.060 1.00 0.00 C ATOM 531 O GLU A 34 47.899 42.975 46.121 1.00 0.00 O ATOM 532 CB GLU A 34 46.182 45.323 45.722 1.00 0.00 C ATOM 533 CG GLU A 34 47.174 46.236 44.996 1.00 0.00 C ATOM 534 CD GLU A 34 47.287 47.572 45.756 1.00 0.00 C ATOM 535 OE1 GLU A 34 48.268 47.733 46.505 1.00 0.00 O ATOM 536 OE2 GLU A 34 46.334 48.383 45.636 1.00 0.00 O ATOM 0 H GLU A 34 45.197 43.222 46.820 1.00 0.00 H new ATOM 0 HA GLU A 34 45.699 44.122 44.015 1.00 0.00 H new ATOM 0 HB2 GLU A 34 45.215 45.824 45.779 1.00 0.00 H new ATOM 0 HB3 GLU A 34 46.523 45.171 46.746 1.00 0.00 H new ATOM 0 HG2 GLU A 34 48.150 45.755 44.935 1.00 0.00 H new ATOM 0 HG3 GLU A 34 46.841 46.413 43.973 1.00 0.00 H new ATOM 543 N PHE A 35 47.665 42.552 43.927 1.00 0.00 N ATOM 544 CA PHE A 35 48.924 41.823 43.762 1.00 0.00 C ATOM 545 C PHE A 35 49.833 42.577 42.779 1.00 0.00 C ATOM 546 O PHE A 35 49.396 43.440 42.009 1.00 0.00 O ATOM 547 CB PHE A 35 48.663 40.340 43.413 1.00 0.00 C ATOM 548 CG PHE A 35 48.380 40.020 41.956 1.00 0.00 C ATOM 549 CD1 PHE A 35 47.073 39.757 41.502 1.00 0.00 C ATOM 550 CD2 PHE A 35 49.443 39.927 41.054 1.00 0.00 C ATOM 551 CE1 PHE A 35 46.838 39.441 40.145 1.00 0.00 C ATOM 552 CE2 PHE A 35 49.208 39.611 39.707 1.00 0.00 C ATOM 553 CZ PHE A 35 47.910 39.358 39.253 1.00 0.00 C ATOM 0 H PHE A 35 47.094 42.569 43.082 1.00 0.00 H new ATOM 0 HA PHE A 35 49.471 41.787 44.704 1.00 0.00 H new ATOM 0 HB2 PHE A 35 49.531 39.759 43.726 1.00 0.00 H new ATOM 0 HB3 PHE A 35 47.817 39.995 44.007 1.00 0.00 H new ATOM 0 HD1 PHE A 35 46.246 39.797 42.195 1.00 0.00 H new ATOM 0 HD2 PHE A 35 50.453 40.100 41.396 1.00 0.00 H new ATOM 0 HE1 PHE A 35 45.831 39.264 39.798 1.00 0.00 H new ATOM 0 HE2 PHE A 35 50.036 39.563 39.016 1.00 0.00 H new ATOM 0 HZ PHE A 35 47.737 39.100 38.219 1.00 0.00 H new ATOM 563 N ILE A 36 51.135 42.286 42.810 1.00 0.00 N ATOM 564 CA ILE A 36 52.075 42.839 41.834 1.00 0.00 C ATOM 565 C ILE A 36 52.388 41.816 40.764 1.00 0.00 C ATOM 566 O ILE A 36 52.969 40.778 41.043 1.00 0.00 O ATOM 567 CB ILE A 36 53.335 43.390 42.538 1.00 0.00 C ATOM 568 CG1 ILE A 36 53.049 44.733 43.247 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.498 43.555 41.550 1.00 0.00 C ATOM 570 CD1 ILE A 36 52.533 45.870 42.337 1.00 0.00 C ATOM 0 H ILE A 36 51.562 41.670 43.501 1.00 0.00 H new ATOM 0 HA ILE A 36 51.613 43.687 41.329 1.00 0.00 H new ATOM 0 HB ILE A 36 53.622 42.659 43.294 1.00 0.00 H new ATOM 0 HG12 ILE A 36 52.315 44.559 44.033 1.00 0.00 H new ATOM 0 HG13 ILE A 36 53.964 45.069 43.734 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.370 43.944 42.076 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.742 42.588 41.110 1.00 0.00 H new ATOM 0 HG23 ILE A 36 54.210 44.250 40.761 1.00 0.00 H new ATOM 0 HD11 ILE A 36 52.365 46.766 42.934 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.273 46.082 41.565 1.00 0.00 H new ATOM 0 HD13 ILE A 36 51.597 45.565 41.869 1.00 0.00 H new ATOM 582 N TYR A 37 52.026 42.153 39.523 1.00 0.00 N ATOM 583 CA TYR A 37 52.251 41.375 38.323 1.00 0.00 C ATOM 584 C TYR A 37 53.644 41.603 37.719 1.00 0.00 C ATOM 585 O TYR A 37 54.205 42.700 37.808 1.00 0.00 O ATOM 586 CB TYR A 37 51.122 41.666 37.335 1.00 0.00 C ATOM 587 CG TYR A 37 51.229 40.953 36.020 1.00 0.00 C ATOM 588 CD1 TYR A 37 50.642 39.683 35.837 1.00 0.00 C ATOM 589 CD2 TYR A 37 51.941 41.553 34.977 1.00 0.00 C ATOM 590 CE1 TYR A 37 50.786 39.023 34.611 1.00 0.00 C ATOM 591 CE2 TYR A 37 52.065 40.913 33.730 1.00 0.00 C ATOM 592 CZ TYR A 37 51.488 39.633 33.547 1.00 0.00 C ATOM 593 OH TYR A 37 51.631 39.004 32.360 1.00 0.00 O ATOM 0 H TYR A 37 51.541 43.029 39.328 1.00 0.00 H new ATOM 0 HA TYR A 37 52.235 40.315 38.578 1.00 0.00 H new ATOM 0 HB2 TYR A 37 50.174 41.397 37.801 1.00 0.00 H new ATOM 0 HB3 TYR A 37 51.092 42.739 37.147 1.00 0.00 H new ATOM 0 HD1 TYR A 37 50.084 39.222 36.639 1.00 0.00 H new ATOM 0 HD2 TYR A 37 52.401 42.518 35.130 1.00 0.00 H new ATOM 0 HE1 TYR A 37 50.358 38.041 34.477 1.00 0.00 H new ATOM 0 HE2 TYR A 37 52.595 41.393 32.921 1.00 0.00 H new ATOM 0 HH TYR A 37 51.441 38.049 32.471 1.00 0.00 H new ATOM 603 N GLY A 38 54.157 40.555 37.076 1.00 0.00 N ATOM 604 CA GLY A 38 55.425 40.548 36.356 1.00 0.00 C ATOM 605 C GLY A 38 55.270 40.788 34.854 1.00 0.00 C ATOM 606 O GLY A 38 55.304 41.914 34.377 1.00 0.00 O ATOM 0 H GLY A 38 53.681 39.654 37.042 1.00 0.00 H new ATOM 0 HA2 GLY A 38 56.076 41.316 36.774 1.00 0.00 H new ATOM 0 HA3 GLY A 38 55.919 39.590 36.514 1.00 0.00 H new ATOM 610 N GLY A 39 55.145 39.683 34.106 1.00 0.00 N ATOM 611 CA GLY A 39 55.221 39.685 32.636 1.00 0.00 C ATOM 612 C GLY A 39 55.656 38.366 32.000 1.00 0.00 C ATOM 613 O GLY A 39 56.084 38.381 30.849 1.00 0.00 O ATOM 0 H GLY A 39 54.987 38.757 34.504 1.00 0.00 H new ATOM 0 HA2 GLY A 39 54.242 39.955 32.239 1.00 0.00 H new ATOM 0 HA3 GLY A 39 55.917 40.465 32.326 1.00 0.00 H new ATOM 617 N CYS A 40 55.586 37.238 32.715 1.00 0.00 N ATOM 618 CA CYS A 40 56.017 35.914 32.219 1.00 0.00 C ATOM 619 C CYS A 40 54.866 34.903 32.123 1.00 0.00 C ATOM 620 O CYS A 40 55.073 33.771 31.715 1.00 0.00 O ATOM 621 CB CYS A 40 57.099 35.320 33.135 1.00 0.00 C ATOM 622 SG CYS A 40 58.809 35.895 32.978 1.00 0.00 S ATOM 0 H CYS A 40 55.224 37.212 33.668 1.00 0.00 H new ATOM 0 HA CYS A 40 56.407 36.086 31.216 1.00 0.00 H new ATOM 0 HB2 CYS A 40 56.788 35.495 34.165 1.00 0.00 H new ATOM 0 HB3 CYS A 40 57.101 34.241 32.982 1.00 0.00 H new ATOM 627 N GLY A 41 53.671 35.272 32.592 1.00 0.00 N ATOM 628 CA GLY A 41 52.553 34.340 32.765 1.00 0.00 C ATOM 629 C GLY A 41 51.317 35.107 33.180 1.00 0.00 C ATOM 630 O GLY A 41 51.053 36.178 32.639 1.00 0.00 O ATOM 0 H GLY A 41 53.451 36.230 32.864 1.00 0.00 H new ATOM 0 HA2 GLY A 41 52.366 33.803 31.835 1.00 0.00 H new ATOM 0 HA3 GLY A 41 52.801 33.594 33.519 1.00 0.00 H new ATOM 634 N GLY A 42 50.586 34.605 34.170 1.00 0.00 N ATOM 635 CA GLY A 42 49.303 35.160 34.551 1.00 0.00 C ATOM 636 C GLY A 42 48.165 34.185 34.304 1.00 0.00 C ATOM 637 O GLY A 42 48.222 33.306 33.444 1.00 0.00 O ATOM 0 H GLY A 42 50.872 33.801 34.728 1.00 0.00 H new ATOM 0 HA2 GLY A 42 49.325 35.432 35.606 1.00 0.00 H new ATOM 0 HA3 GLY A 42 49.123 36.077 33.989 1.00 0.00 H new ATOM 641 N ASN A 43 47.115 34.374 35.083 1.00 0.00 N ATOM 642 CA ASN A 43 45.872 33.633 34.977 1.00 0.00 C ATOM 643 C ASN A 43 44.804 34.462 34.223 1.00 0.00 C ATOM 644 O ASN A 43 45.121 35.496 33.656 1.00 0.00 O ATOM 645 CB ASN A 43 45.510 33.228 36.412 1.00 0.00 C ATOM 646 CG ASN A 43 45.339 34.408 37.350 1.00 0.00 C ATOM 647 OD1 ASN A 43 45.091 35.524 36.937 1.00 0.00 O ATOM 648 ND2 ASN A 43 45.429 34.201 38.640 1.00 0.00 N ATOM 0 H ASN A 43 47.104 35.069 35.830 1.00 0.00 H new ATOM 0 HA ASN A 43 45.952 32.728 34.374 1.00 0.00 H new ATOM 0 HB2 ASN A 43 44.586 32.650 36.396 1.00 0.00 H new ATOM 0 HB3 ASN A 43 46.288 32.573 36.803 1.00 0.00 H new ATOM 0 HD21 ASN A 43 45.291 34.974 39.291 1.00 0.00 H new ATOM 0 HD22 ASN A 43 45.637 33.267 38.993 1.00 0.00 H new ATOM 655 N ALA A 44 43.558 33.994 34.197 1.00 0.00 N ATOM 656 CA ALA A 44 42.459 34.706 33.527 1.00 0.00 C ATOM 657 C ALA A 44 41.670 35.662 34.437 1.00 0.00 C ATOM 658 O ALA A 44 40.896 36.471 33.941 1.00 0.00 O ATOM 659 CB ALA A 44 41.552 33.658 32.858 1.00 0.00 C ATOM 0 H ALA A 44 43.277 33.117 34.635 1.00 0.00 H new ATOM 0 HA ALA A 44 42.893 35.369 32.779 1.00 0.00 H new ATOM 0 HB1 ALA A 44 40.727 34.160 32.353 1.00 0.00 H new ATOM 0 HB2 ALA A 44 42.130 33.088 32.131 1.00 0.00 H new ATOM 0 HB3 ALA A 44 41.156 32.983 33.616 1.00 0.00 H new ATOM 665 N ASN A 45 41.808 35.576 35.764 1.00 0.00 N ATOM 666 CA ASN A 45 41.219 36.554 36.699 1.00 0.00 C ATOM 667 C ASN A 45 42.213 37.672 37.057 1.00 0.00 C ATOM 668 O ASN A 45 42.113 38.257 38.136 1.00 0.00 O ATOM 669 CB ASN A 45 40.593 35.890 37.936 1.00 0.00 C ATOM 670 CG ASN A 45 41.593 35.348 38.929 1.00 0.00 C ATOM 671 OD1 ASN A 45 42.733 35.094 38.615 1.00 0.00 O ATOM 672 ND2 ASN A 45 41.185 35.086 40.149 1.00 0.00 N ATOM 0 H ASN A 45 42.329 34.830 36.225 1.00 0.00 H new ATOM 0 HA ASN A 45 40.391 37.031 36.175 1.00 0.00 H new ATOM 0 HB2 ASN A 45 39.957 36.617 38.440 1.00 0.00 H new ATOM 0 HB3 ASN A 45 39.948 35.075 37.608 1.00 0.00 H new ATOM 0 HD21 ASN A 45 41.828 34.671 40.824 1.00 0.00 H new ATOM 0 HD22 ASN A 45 40.225 35.297 40.422 1.00 0.00 H new ATOM 679 N ASN A 46 43.153 37.948 36.160 1.00 0.00 N ATOM 680 CA ASN A 46 44.104 39.037 36.248 1.00 0.00 C ATOM 681 C ASN A 46 43.414 40.352 35.878 1.00 0.00 C ATOM 682 O ASN A 46 43.140 40.622 34.721 1.00 0.00 O ATOM 683 CB ASN A 46 45.309 38.714 35.337 1.00 0.00 C ATOM 684 CG ASN A 46 44.956 38.563 33.852 1.00 0.00 C ATOM 685 OD1 ASN A 46 43.898 38.094 33.471 1.00 0.00 O ATOM 686 ND2 ASN A 46 45.855 38.930 32.972 1.00 0.00 N ATOM 0 H ASN A 46 43.274 37.390 35.315 1.00 0.00 H new ATOM 0 HA ASN A 46 44.477 39.153 37.265 1.00 0.00 H new ATOM 0 HB2 ASN A 46 46.052 39.505 35.443 1.00 0.00 H new ATOM 0 HB3 ASN A 46 45.774 37.791 35.683 1.00 0.00 H new ATOM 0 HD21 ASN A 46 45.667 38.822 31.975 1.00 0.00 H new ATOM 0 HD22 ASN A 46 46.743 39.323 33.284 1.00 0.00 H new ATOM 693 N PHE A 47 43.114 41.173 36.875 1.00 0.00 N ATOM 694 CA PHE A 47 42.440 42.454 36.696 1.00 0.00 C ATOM 695 C PHE A 47 43.387 43.607 36.902 1.00 0.00 C ATOM 696 O PHE A 47 44.371 43.487 37.631 1.00 0.00 O ATOM 697 CB PHE A 47 41.265 42.579 37.674 1.00 0.00 C ATOM 698 CG PHE A 47 40.420 41.338 37.804 1.00 0.00 C ATOM 699 CD1 PHE A 47 40.042 40.598 36.668 1.00 0.00 C ATOM 700 CD2 PHE A 47 40.031 40.917 39.079 1.00 0.00 C ATOM 701 CE1 PHE A 47 39.296 39.418 36.818 1.00 0.00 C ATOM 702 CE2 PHE A 47 39.206 39.796 39.206 1.00 0.00 C ATOM 703 CZ PHE A 47 38.858 39.027 38.091 1.00 0.00 C ATOM 0 H PHE A 47 43.336 40.965 37.849 1.00 0.00 H new ATOM 0 HA PHE A 47 42.069 42.490 35.672 1.00 0.00 H new ATOM 0 HB2 PHE A 47 41.655 42.842 38.657 1.00 0.00 H new ATOM 0 HB3 PHE A 47 40.629 43.404 37.353 1.00 0.00 H new ATOM 0 HD1 PHE A 47 40.325 40.937 35.683 1.00 0.00 H new ATOM 0 HD2 PHE A 47 40.364 41.452 39.956 1.00 0.00 H new ATOM 0 HE1 PHE A 47 39.060 38.813 35.955 1.00 0.00 H new ATOM 0 HE2 PHE A 47 38.831 39.519 40.180 1.00 0.00 H new ATOM 0 HZ PHE A 47 38.256 38.138 38.210 1.00 0.00 H new ATOM 713 N GLU A 48 43.061 44.790 36.415 1.00 0.00 N ATOM 714 CA GLU A 48 43.888 45.973 36.647 1.00 0.00 C ATOM 715 C GLU A 48 43.551 46.644 37.968 1.00 0.00 C ATOM 716 O GLU A 48 44.411 47.202 38.641 1.00 0.00 O ATOM 717 CB GLU A 48 43.719 46.964 35.490 1.00 0.00 C ATOM 718 CG GLU A 48 44.463 46.518 34.241 1.00 0.00 C ATOM 719 CD GLU A 48 43.896 45.233 33.619 1.00 0.00 C ATOM 720 OE1 GLU A 48 42.985 45.381 32.791 1.00 0.00 O ATOM 721 OE2 GLU A 48 44.466 44.166 33.938 1.00 0.00 O ATOM 0 H GLU A 48 42.227 44.963 35.854 1.00 0.00 H new ATOM 0 HA GLU A 48 44.928 45.650 36.698 1.00 0.00 H new ATOM 0 HB2 GLU A 48 42.659 47.075 35.260 1.00 0.00 H new ATOM 0 HB3 GLU A 48 44.083 47.945 35.797 1.00 0.00 H new ATOM 0 HG2 GLU A 48 44.427 47.317 33.501 1.00 0.00 H new ATOM 0 HG3 GLU A 48 45.513 46.360 34.489 1.00 0.00 H new ATOM 728 N THR A 49 42.281 46.570 38.370 1.00 0.00 N ATOM 729 CA THR A 49 41.777 47.168 39.609 1.00 0.00 C ATOM 730 C THR A 49 40.618 46.380 40.196 1.00 0.00 C ATOM 731 O THR A 49 39.879 45.663 39.531 1.00 0.00 O ATOM 732 CB THR A 49 41.342 48.630 39.410 1.00 0.00 C ATOM 733 OG1 THR A 49 40.346 48.701 38.413 1.00 0.00 O ATOM 734 CG2 THR A 49 42.474 49.596 39.066 1.00 0.00 C ATOM 0 H THR A 49 41.561 46.085 37.835 1.00 0.00 H new ATOM 0 HA THR A 49 42.612 47.140 40.309 1.00 0.00 H new ATOM 0 HB THR A 49 40.958 48.953 40.378 1.00 0.00 H new ATOM 0 HG1 THR A 49 40.071 49.634 38.291 1.00 0.00 H new ATOM 0 HG21 THR A 49 42.070 50.601 38.945 1.00 0.00 H new ATOM 0 HG22 THR A 49 43.210 49.595 39.870 1.00 0.00 H new ATOM 0 HG23 THR A 49 42.951 49.282 38.137 1.00 0.00 H new ATOM 742 N ARG A 50 40.385 46.582 41.505 1.00 0.00 N ATOM 743 CA ARG A 50 39.201 46.057 42.204 1.00 0.00 C ATOM 744 C ARG A 50 37.852 46.520 41.605 1.00 0.00 C ATOM 745 O ARG A 50 36.828 45.914 41.920 1.00 0.00 O ATOM 746 CB ARG A 50 39.302 46.317 43.709 1.00 0.00 C ATOM 747 CG ARG A 50 39.764 47.733 44.095 1.00 0.00 C ATOM 748 CD ARG A 50 39.775 47.954 45.619 1.00 0.00 C ATOM 749 NE ARG A 50 40.564 46.932 46.352 1.00 0.00 N ATOM 750 CZ ARG A 50 41.553 47.136 47.211 1.00 0.00 C ATOM 751 NH1 ARG A 50 41.997 48.319 47.513 1.00 0.00 N ATOM 752 NH2 ARG A 50 42.136 46.107 47.759 1.00 0.00 N ATOM 0 H ARG A 50 41.013 47.114 42.107 1.00 0.00 H new ATOM 0 HA ARG A 50 39.203 44.979 42.046 1.00 0.00 H new ATOM 0 HB2 ARG A 50 38.327 46.134 44.160 1.00 0.00 H new ATOM 0 HB3 ARG A 50 39.994 45.595 44.142 1.00 0.00 H new ATOM 0 HG2 ARG A 50 40.765 47.906 43.699 1.00 0.00 H new ATOM 0 HG3 ARG A 50 39.105 48.466 43.629 1.00 0.00 H new ATOM 0 HD2 ARG A 50 40.183 48.942 45.834 1.00 0.00 H new ATOM 0 HD3 ARG A 50 38.750 47.946 45.988 1.00 0.00 H new ATOM 0 HE ARG A 50 40.316 45.959 46.174 1.00 0.00 H new ATOM 0 HH11 ARG A 50 41.581 49.145 47.082 1.00 0.00 H new ATOM 0 HH12 ARG A 50 42.761 48.422 48.181 1.00 0.00 H new ATOM 0 HH21 ARG A 50 41.830 45.163 47.525 1.00 0.00 H new ATOM 0 HH22 ARG A 50 42.899 46.246 48.422 1.00 0.00 H new ATOM 766 N ALA A 51 37.845 47.543 40.761 1.00 0.00 N ATOM 767 CA ALA A 51 36.650 47.982 40.027 1.00 0.00 C ATOM 768 C ALA A 51 36.283 46.983 38.919 1.00 0.00 C ATOM 769 O ALA A 51 35.157 46.465 38.899 1.00 0.00 O ATOM 770 CB ALA A 51 36.904 49.386 39.467 1.00 0.00 C ATOM 0 H ALA A 51 38.674 48.102 40.560 1.00 0.00 H new ATOM 0 HA ALA A 51 35.797 48.020 40.704 1.00 0.00 H new ATOM 0 HB1 ALA A 51 36.024 49.724 38.919 1.00 0.00 H new ATOM 0 HB2 ALA A 51 37.107 50.074 40.288 1.00 0.00 H new ATOM 0 HB3 ALA A 51 37.762 49.360 38.795 1.00 0.00 H new ATOM 776 N GLU A 52 37.247 46.650 38.053 1.00 0.00 N ATOM 777 CA GLU A 52 37.098 45.596 37.053 1.00 0.00 C ATOM 778 C GLU A 52 36.821 44.245 37.711 1.00 0.00 C ATOM 779 O GLU A 52 35.885 43.566 37.320 1.00 0.00 O ATOM 780 CB GLU A 52 38.370 45.536 36.206 1.00 0.00 C ATOM 781 CG GLU A 52 38.370 44.295 35.305 1.00 0.00 C ATOM 782 CD GLU A 52 39.543 44.401 34.360 1.00 0.00 C ATOM 783 OE1 GLU A 52 39.260 44.601 33.165 1.00 0.00 O ATOM 784 OE2 GLU A 52 40.670 44.336 34.920 1.00 0.00 O ATOM 0 H GLU A 52 38.157 47.110 38.029 1.00 0.00 H new ATOM 0 HA GLU A 52 36.244 45.825 36.416 1.00 0.00 H new ATOM 0 HB2 GLU A 52 38.447 46.435 35.594 1.00 0.00 H new ATOM 0 HB3 GLU A 52 39.244 45.518 36.857 1.00 0.00 H new ATOM 0 HG2 GLU A 52 38.446 43.389 35.906 1.00 0.00 H new ATOM 0 HG3 GLU A 52 37.436 44.230 34.747 1.00 0.00 H new ATOM 791 N CYS A 53 37.507 43.915 38.809 1.00 0.00 N ATOM 792 CA CYS A 53 37.256 42.698 39.584 1.00 0.00 C ATOM 793 C CYS A 53 35.769 42.470 39.915 1.00 0.00 C ATOM 794 O CYS A 53 35.240 41.362 39.778 1.00 0.00 O ATOM 795 CB CYS A 53 38.034 42.825 40.890 1.00 0.00 C ATOM 796 SG CYS A 53 37.753 41.513 42.097 1.00 0.00 S ATOM 0 H CYS A 53 38.259 44.491 39.188 1.00 0.00 H new ATOM 0 HA CYS A 53 37.572 41.846 38.982 1.00 0.00 H new ATOM 0 HB2 CYS A 53 39.098 42.857 40.656 1.00 0.00 H new ATOM 0 HB3 CYS A 53 37.780 43.779 41.352 1.00 0.00 H new ATOM 801 N ARG A 54 35.072 43.530 40.324 1.00 0.00 N ATOM 802 CA ARG A 54 33.626 43.479 40.570 1.00 0.00 C ATOM 803 C ARG A 54 32.859 43.262 39.277 1.00 0.00 C ATOM 804 O ARG A 54 31.903 42.496 39.279 1.00 0.00 O ATOM 805 CB ARG A 54 33.180 44.761 41.288 1.00 0.00 C ATOM 806 CG ARG A 54 31.663 44.800 41.530 1.00 0.00 C ATOM 807 CD ARG A 54 31.245 46.035 42.340 1.00 0.00 C ATOM 808 NE ARG A 54 31.782 45.983 43.716 1.00 0.00 N ATOM 809 CZ ARG A 54 31.895 47.011 44.536 1.00 0.00 C ATOM 810 NH1 ARG A 54 31.505 48.209 44.207 1.00 0.00 N ATOM 811 NH2 ARG A 54 32.408 46.843 45.725 1.00 0.00 N ATOM 0 H ARG A 54 35.489 44.445 40.494 1.00 0.00 H new ATOM 0 HA ARG A 54 33.404 42.629 41.215 1.00 0.00 H new ATOM 0 HB2 ARG A 54 33.700 44.839 42.243 1.00 0.00 H new ATOM 0 HB3 ARG A 54 33.473 45.627 40.695 1.00 0.00 H new ATOM 0 HG2 ARG A 54 31.142 44.800 40.572 1.00 0.00 H new ATOM 0 HG3 ARG A 54 31.356 43.898 42.059 1.00 0.00 H new ATOM 0 HD2 ARG A 54 31.602 46.937 41.842 1.00 0.00 H new ATOM 0 HD3 ARG A 54 30.157 46.099 42.374 1.00 0.00 H new ATOM 0 HE ARG A 54 32.092 45.075 44.062 1.00 0.00 H new ATOM 0 HH11 ARG A 54 31.096 48.378 43.288 1.00 0.00 H new ATOM 0 HH12 ARG A 54 31.609 48.979 44.868 1.00 0.00 H new ATOM 0 HH21 ARG A 54 32.721 45.918 46.019 1.00 0.00 H new ATOM 0 HH22 ARG A 54 32.496 47.637 46.359 1.00 0.00 H new ATOM 825 N HIS A 55 33.251 43.899 38.175 1.00 0.00 N ATOM 826 CA HIS A 55 32.594 43.752 36.873 1.00 0.00 C ATOM 827 C HIS A 55 32.859 42.401 36.203 1.00 0.00 C ATOM 828 O HIS A 55 32.031 41.970 35.406 1.00 0.00 O ATOM 829 CB HIS A 55 32.978 44.935 35.963 1.00 0.00 C ATOM 830 CG HIS A 55 31.770 45.527 35.293 1.00 0.00 C ATOM 831 ND1 HIS A 55 31.113 46.686 35.680 1.00 0.00 N ATOM 832 CD2 HIS A 55 31.150 45.046 34.173 1.00 0.00 C ATOM 833 CE1 HIS A 55 30.112 46.921 34.797 1.00 0.00 C ATOM 834 NE2 HIS A 55 30.121 45.930 33.869 1.00 0.00 N ATOM 0 H HIS A 55 34.044 44.540 38.159 1.00 0.00 H new ATOM 0 HA HIS A 55 31.518 43.770 37.046 1.00 0.00 H new ATOM 0 HB2 HIS A 55 33.481 45.701 36.553 1.00 0.00 H new ATOM 0 HB3 HIS A 55 33.687 44.599 35.207 1.00 0.00 H new ATOM 0 HD2 HIS A 55 31.410 44.150 33.629 1.00 0.00 H new ATOM 0 HE1 HIS A 55 29.425 47.754 34.827 1.00 0.00 H new ATOM 0 HE2 HIS A 55 29.480 45.848 33.080 1.00 0.00 H new ATOM 843 N THR A 56 33.956 41.719 36.552 1.00 0.00 N ATOM 844 CA THR A 56 34.358 40.432 35.983 1.00 0.00 C ATOM 845 C THR A 56 33.797 39.233 36.749 1.00 0.00 C ATOM 846 O THR A 56 33.339 38.270 36.139 1.00 0.00 O ATOM 847 CB THR A 56 35.891 40.338 35.904 1.00 0.00 C ATOM 848 OG1 THR A 56 36.380 41.459 35.219 1.00 0.00 O ATOM 849 CG2 THR A 56 36.328 39.095 35.145 1.00 0.00 C ATOM 0 H THR A 56 34.607 42.060 37.260 1.00 0.00 H new ATOM 0 HA THR A 56 33.933 40.391 34.980 1.00 0.00 H new ATOM 0 HB THR A 56 36.282 40.291 36.920 1.00 0.00 H new ATOM 0 HG1 THR A 56 36.316 42.249 35.796 1.00 0.00 H new ATOM 0 HG21 THR A 56 37.417 39.056 35.106 1.00 0.00 H new ATOM 0 HG22 THR A 56 35.951 38.207 35.653 1.00 0.00 H new ATOM 0 HG23 THR A 56 35.930 39.129 34.131 1.00 0.00 H new ATOM 857 N CYS A 57 33.784 39.297 38.088 1.00 0.00 N ATOM 858 CA CYS A 57 33.281 38.200 38.922 1.00 0.00 C ATOM 859 C CYS A 57 31.981 38.557 39.649 1.00 0.00 C ATOM 860 O CYS A 57 30.997 37.828 39.569 1.00 0.00 O ATOM 861 CB CYS A 57 34.380 37.779 39.914 1.00 0.00 C ATOM 862 SG CYS A 57 35.962 37.383 39.145 1.00 0.00 S ATOM 0 H CYS A 57 34.118 40.102 38.617 1.00 0.00 H new ATOM 0 HA CYS A 57 33.034 37.362 38.270 1.00 0.00 H new ATOM 0 HB2 CYS A 57 34.531 38.583 40.634 1.00 0.00 H new ATOM 0 HB3 CYS A 57 34.034 36.910 40.474 1.00 0.00 H new ATOM 867 N VAL A 58 31.946 39.680 40.362 1.00 0.00 N ATOM 868 CA VAL A 58 30.783 40.071 41.192 1.00 0.00 C ATOM 869 C VAL A 58 29.757 40.869 40.380 1.00 0.00 C ATOM 870 O VAL A 58 29.330 41.959 40.754 1.00 0.00 O ATOM 871 CB VAL A 58 31.217 40.776 42.491 1.00 0.00 C ATOM 872 CG1 VAL A 58 30.081 40.744 43.535 1.00 0.00 C ATOM 873 CG2 VAL A 58 32.436 40.135 43.142 1.00 0.00 C ATOM 0 H VAL A 58 32.714 40.350 40.389 1.00 0.00 H new ATOM 0 HA VAL A 58 30.276 39.159 41.507 1.00 0.00 H new ATOM 0 HB VAL A 58 31.464 41.796 42.196 1.00 0.00 H new ATOM 0 HG11 VAL A 58 30.409 41.247 44.445 1.00 0.00 H new ATOM 0 HG12 VAL A 58 29.204 41.253 43.134 1.00 0.00 H new ATOM 0 HG13 VAL A 58 29.827 39.709 43.764 1.00 0.00 H new ATOM 0 HG21 VAL A 58 32.690 40.678 44.052 1.00 0.00 H new ATOM 0 HG22 VAL A 58 32.213 39.097 43.389 1.00 0.00 H new ATOM 0 HG23 VAL A 58 33.278 40.170 42.451 1.00 0.00 H new