USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 511 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 162:sc= 0.0157 USER MOD Single : A 16 THR OG1 : rot 74:sc= 0.829 USER MOD Single : A 18 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 82:sc= 0.603 USER MOD Single : A 33 SER OG : rot 180:sc= 0.31 USER MOD Single : A 36 SER OG : rot 180:sc= 0.341 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.224 K(o=0.22,f=-5.6!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -48:sc= 2.1 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -68:sc= 0.701 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.992 -14.195 -10.456 1.00 25.00 N ATOM 2 CA ALA A 1 -14.686 -14.643 -10.985 1.00 25.00 C ATOM 3 C ALA A 1 -13.488 -14.019 -10.274 1.00 25.00 C ATOM 4 O ALA A 1 -13.519 -12.898 -9.811 1.00 25.00 O ATOM 5 CB ALA A 1 -14.647 -14.321 -12.485 1.00 25.00 C ATOM 0 H1 ALA A 1 -16.758 -14.658 -10.985 1.00 25.00 H new ATOM 0 H2 ALA A 1 -16.064 -14.448 -9.450 1.00 25.00 H new ATOM 0 H3 ALA A 1 -16.074 -13.164 -10.561 1.00 25.00 H new ATOM 0 HA ALA A 1 -14.601 -15.715 -10.806 1.00 25.00 H new ATOM 0 HB1 ALA A 1 -13.692 -14.642 -12.901 1.00 25.00 H new ATOM 0 HB2 ALA A 1 -15.458 -14.845 -12.991 1.00 25.00 H new ATOM 0 HB3 ALA A 1 -14.763 -13.247 -12.630 1.00 25.00 H new ATOM 10 N TYR A 2 -12.411 -14.806 -10.170 1.00 25.00 N ATOM 11 CA TYR A 2 -11.190 -14.364 -9.502 1.00 25.00 C ATOM 12 C TYR A 2 -10.481 -13.269 -10.283 1.00 25.00 C ATOM 13 O TYR A 2 -10.445 -13.281 -11.518 1.00 25.00 O ATOM 14 CB TYR A 2 -10.217 -15.534 -9.347 1.00 25.00 C ATOM 15 CG TYR A 2 -10.721 -16.635 -8.441 1.00 25.00 C ATOM 16 CD1 TYR A 2 -11.154 -17.868 -8.974 1.00 25.00 C ATOM 17 CD2 TYR A 2 -10.756 -16.456 -7.043 1.00 25.00 C ATOM 18 CE1 TYR A 2 -11.611 -18.908 -8.119 1.00 25.00 C ATOM 19 CE2 TYR A 2 -11.213 -17.495 -6.188 1.00 25.00 C ATOM 20 CZ TYR A 2 -11.629 -18.710 -6.734 1.00 25.00 C ATOM 21 OH TYR A 2 -12.058 -19.717 -5.907 1.00 25.00 O ATOM 0 H TYR A 2 -12.364 -15.754 -10.542 1.00 25.00 H new ATOM 0 HA TYR A 2 -11.488 -13.975 -8.528 1.00 25.00 H new ATOM 0 HB2 TYR A 2 -10.009 -15.954 -10.331 1.00 25.00 H new ATOM 0 HB3 TYR A 2 -9.272 -15.158 -8.955 1.00 25.00 H new ATOM 0 HD1 TYR A 2 -11.138 -18.023 -10.043 1.00 25.00 H new ATOM 0 HD2 TYR A 2 -10.432 -15.518 -6.617 1.00 25.00 H new ATOM 0 HE1 TYR A 2 -11.943 -19.847 -8.537 1.00 25.00 H new ATOM 0 HE2 TYR A 2 -11.238 -17.345 -5.119 1.00 25.00 H new ATOM 0 HH TYR A 2 -12.007 -19.419 -4.975 1.00 25.00 H new ATOM 31 N ARG A 3 -9.862 -12.360 -9.552 1.00 25.00 N ATOM 32 CA ARG A 3 -9.031 -11.318 -10.137 1.00 25.00 C ATOM 33 C ARG A 3 -7.611 -11.866 -10.207 1.00 25.00 C ATOM 34 O ARG A 3 -7.242 -12.716 -9.405 1.00 25.00 O ATOM 35 CB ARG A 3 -9.062 -10.070 -9.252 1.00 25.00 C ATOM 36 CG ARG A 3 -10.448 -9.473 -9.119 1.00 25.00 C ATOM 37 CD ARG A 3 -10.407 -8.201 -8.306 1.00 25.00 C ATOM 38 NE ARG A 3 -11.738 -7.577 -8.236 1.00 25.00 N ATOM 39 CZ ARG A 3 -12.002 -6.397 -7.693 1.00 25.00 C ATOM 40 NH1 ARG A 3 -11.070 -5.657 -7.145 1.00 25.00 N ATOM 41 NH2 ARG A 3 -13.227 -5.951 -7.708 1.00 25.00 N ATOM 0 H ARG A 3 -9.920 -12.321 -8.534 1.00 25.00 H new ATOM 0 HA ARG A 3 -9.392 -11.042 -11.128 1.00 25.00 H new ATOM 0 HB2 ARG A 3 -8.685 -10.324 -8.261 1.00 25.00 H new ATOM 0 HB3 ARG A 3 -8.388 -9.321 -9.667 1.00 25.00 H new ATOM 0 HG2 ARG A 3 -10.856 -9.265 -10.108 1.00 25.00 H new ATOM 0 HG3 ARG A 3 -11.115 -10.192 -8.644 1.00 25.00 H new ATOM 0 HD2 ARG A 3 -10.051 -8.420 -7.299 1.00 25.00 H new ATOM 0 HD3 ARG A 3 -9.697 -7.503 -8.751 1.00 25.00 H new ATOM 0 HE ARG A 3 -12.520 -8.094 -8.638 1.00 25.00 H new ATOM 0 HH11 ARG A 3 -10.104 -5.984 -7.127 1.00 25.00 H new ATOM 0 HH12 ARG A 3 -11.310 -4.754 -6.737 1.00 25.00 H new ATOM 0 HH21 ARG A 3 -13.968 -6.508 -8.134 1.00 25.00 H new ATOM 0 HH22 ARG A 3 -13.445 -5.045 -7.294 1.00 25.00 H new ATOM 55 N PRO A 4 -6.782 -11.355 -11.139 1.00 25.00 N ATOM 56 CA PRO A 4 -5.383 -11.811 -11.190 1.00 25.00 C ATOM 57 C PRO A 4 -4.607 -11.572 -9.894 1.00 25.00 C ATOM 58 O PRO A 4 -3.678 -12.306 -9.575 1.00 25.00 O ATOM 59 CB PRO A 4 -4.781 -10.956 -12.313 1.00 25.00 C ATOM 60 CG PRO A 4 -5.937 -10.567 -13.152 1.00 25.00 C ATOM 61 CD PRO A 4 -7.057 -10.349 -12.181 1.00 25.00 C ATOM 0 HA PRO A 4 -5.330 -12.888 -11.348 1.00 25.00 H new ATOM 0 HB2 PRO A 4 -4.270 -10.080 -11.913 1.00 25.00 H new ATOM 0 HB3 PRO A 4 -4.046 -11.519 -12.888 1.00 25.00 H new ATOM 0 HG2 PRO A 4 -5.726 -9.662 -13.722 1.00 25.00 H new ATOM 0 HG3 PRO A 4 -6.184 -11.347 -13.872 1.00 25.00 H new ATOM 0 HD2 PRO A 4 -7.052 -9.336 -11.778 1.00 25.00 H new ATOM 0 HD3 PRO A 4 -8.031 -10.503 -12.645 1.00 25.00 H new ATOM 69 N SER A 5 -4.999 -10.538 -9.161 1.00 25.00 N ATOM 70 CA SER A 5 -4.367 -10.183 -7.900 1.00 25.00 C ATOM 71 C SER A 5 -5.436 -9.711 -6.926 1.00 25.00 C ATOM 72 O SER A 5 -5.936 -8.596 -7.035 1.00 25.00 O ATOM 73 CB SER A 5 -3.348 -9.063 -8.109 1.00 25.00 C ATOM 74 OG SER A 5 -2.391 -9.417 -9.096 1.00 25.00 O ATOM 0 H SER A 5 -5.767 -9.921 -9.426 1.00 25.00 H new ATOM 0 HA SER A 5 -3.852 -11.057 -7.502 1.00 25.00 H new ATOM 0 HB2 SER A 5 -3.863 -8.150 -8.409 1.00 25.00 H new ATOM 0 HB3 SER A 5 -2.841 -8.848 -7.168 1.00 25.00 H new ATOM 0 HG SER A 5 -1.752 -8.683 -9.211 1.00 25.00 H new ATOM 80 N GLU A 6 -5.803 -10.575 -5.995 1.00 25.00 N ATOM 81 CA GLU A 6 -6.794 -10.235 -4.964 1.00 25.00 C ATOM 82 C GLU A 6 -6.103 -9.511 -3.810 1.00 25.00 C ATOM 83 O GLU A 6 -6.741 -8.883 -2.964 1.00 25.00 O ATOM 84 CB GLU A 6 -7.469 -11.503 -4.433 1.00 25.00 C ATOM 85 CG GLU A 6 -8.155 -12.355 -5.507 1.00 25.00 C ATOM 86 CD GLU A 6 -9.466 -11.760 -6.034 1.00 25.00 C ATOM 87 OE1 GLU A 6 -9.794 -10.588 -5.744 1.00 25.00 O ATOM 88 OE2 GLU A 6 -10.160 -12.480 -6.784 1.00 25.00 O ATOM 0 H GLU A 6 -5.433 -11.523 -5.924 1.00 25.00 H new ATOM 0 HA GLU A 6 -7.552 -9.588 -5.407 1.00 25.00 H new ATOM 0 HB2 GLU A 6 -6.721 -12.113 -3.926 1.00 25.00 H new ATOM 0 HB3 GLU A 6 -8.209 -11.219 -3.685 1.00 25.00 H new ATOM 0 HG2 GLU A 6 -7.468 -12.490 -6.342 1.00 25.00 H new ATOM 0 HG3 GLU A 6 -8.356 -13.345 -5.097 1.00 25.00 H new ATOM 95 N THR A 7 -4.781 -9.592 -3.805 1.00 25.00 N ATOM 96 CA THR A 7 -3.952 -8.895 -2.828 1.00 25.00 C ATOM 97 C THR A 7 -3.099 -7.908 -3.613 1.00 25.00 C ATOM 98 O THR A 7 -2.926 -8.060 -4.827 1.00 25.00 O ATOM 99 CB THR A 7 -3.061 -9.872 -2.026 1.00 25.00 C ATOM 100 OG1 THR A 7 -2.188 -10.574 -2.913 1.00 25.00 O ATOM 101 CG2 THR A 7 -3.903 -10.900 -1.286 1.00 25.00 C ATOM 0 H THR A 7 -4.250 -10.144 -4.479 1.00 25.00 H new ATOM 0 HA THR A 7 -4.577 -8.387 -2.094 1.00 25.00 H new ATOM 0 HB THR A 7 -2.490 -9.283 -1.308 1.00 25.00 H new ATOM 0 HG1 THR A 7 -1.445 -10.959 -2.404 1.00 25.00 H new ATOM 0 HG21 THR A 7 -3.250 -11.574 -0.731 1.00 25.00 H new ATOM 0 HG22 THR A 7 -4.573 -10.391 -0.593 1.00 25.00 H new ATOM 0 HG23 THR A 7 -4.490 -11.473 -2.003 1.00 25.00 H new ATOM 109 N LEU A 8 -2.611 -6.869 -2.958 1.00 25.00 N ATOM 110 CA LEU A 8 -1.883 -5.816 -3.649 1.00 25.00 C ATOM 111 C LEU A 8 -0.404 -6.146 -3.695 1.00 25.00 C ATOM 112 O LEU A 8 0.335 -5.991 -2.725 1.00 25.00 O ATOM 113 CB LEU A 8 -2.143 -4.469 -2.980 1.00 25.00 C ATOM 114 CG LEU A 8 -2.010 -3.170 -3.791 1.00 25.00 C ATOM 115 CD1 LEU A 8 -2.087 -3.353 -5.311 1.00 25.00 C ATOM 116 CD2 LEU A 8 -3.131 -2.247 -3.336 1.00 25.00 C ATOM 0 H LEU A 8 -2.704 -6.731 -1.952 1.00 25.00 H new ATOM 0 HA LEU A 8 -2.238 -5.747 -4.677 1.00 25.00 H new ATOM 0 HB2 LEU A 8 -3.155 -4.497 -2.577 1.00 25.00 H new ATOM 0 HB3 LEU A 8 -1.464 -4.392 -2.131 1.00 25.00 H new ATOM 0 HG LEU A 8 -1.016 -2.763 -3.603 1.00 25.00 H new ATOM 0 HD11 LEU A 8 -1.984 -2.384 -5.800 1.00 25.00 H new ATOM 0 HD12 LEU A 8 -1.284 -4.013 -5.639 1.00 25.00 H new ATOM 0 HD13 LEU A 8 -3.049 -3.793 -5.576 1.00 25.00 H new ATOM 0 HD21 LEU A 8 -3.076 -1.308 -3.887 1.00 25.00 H new ATOM 0 HD22 LEU A 8 -4.093 -2.723 -3.525 1.00 25.00 H new ATOM 0 HD23 LEU A 8 -3.028 -2.048 -2.269 1.00 25.00 H new ATOM 128 N CYS A 9 -0.002 -6.673 -4.834 1.00 25.00 N ATOM 129 CA CYS A 9 1.343 -7.192 -5.013 1.00 25.00 C ATOM 130 C CYS A 9 1.784 -7.031 -6.464 1.00 25.00 C ATOM 131 O CYS A 9 1.125 -6.352 -7.246 1.00 25.00 O ATOM 132 CB CYS A 9 1.341 -8.674 -4.627 1.00 25.00 C ATOM 133 SG CYS A 9 2.879 -9.223 -3.824 1.00 25.00 S ATOM 0 H CYS A 9 -0.595 -6.754 -5.660 1.00 25.00 H new ATOM 0 HA CYS A 9 2.041 -6.640 -4.383 1.00 25.00 H new ATOM 0 HB2 CYS A 9 0.503 -8.864 -3.956 1.00 25.00 H new ATOM 0 HB3 CYS A 9 1.175 -9.273 -5.522 1.00 25.00 H new ATOM 138 N GLY A 10 2.890 -7.670 -6.822 1.00 25.00 N ATOM 139 CA GLY A 10 3.325 -7.710 -8.215 1.00 25.00 C ATOM 140 C GLY A 10 3.743 -6.374 -8.793 1.00 25.00 C ATOM 141 O GLY A 10 3.598 -6.136 -9.980 1.00 25.00 O ATOM 0 H GLY A 10 3.500 -8.166 -6.172 1.00 25.00 H new ATOM 0 HA2 GLY A 10 4.162 -8.403 -8.299 1.00 25.00 H new ATOM 0 HA3 GLY A 10 2.515 -8.114 -8.822 1.00 25.00 H new ATOM 145 N GLY A 11 4.238 -5.480 -7.950 1.00 25.00 N ATOM 146 CA GLY A 11 4.656 -4.161 -8.413 1.00 25.00 C ATOM 147 C GLY A 11 3.532 -3.144 -8.415 1.00 25.00 C ATOM 148 O GLY A 11 3.788 -1.966 -8.199 1.00 25.00 O ATOM 0 H GLY A 11 4.360 -5.639 -6.950 1.00 25.00 H new ATOM 0 HA2 GLY A 11 5.464 -3.799 -7.777 1.00 25.00 H new ATOM 0 HA3 GLY A 11 5.060 -4.248 -9.422 1.00 25.00 H new ATOM 152 N GLU A 12 2.288 -3.583 -8.563 1.00 25.00 N ATOM 153 CA GLU A 12 1.145 -2.663 -8.504 1.00 25.00 C ATOM 154 C GLU A 12 1.047 -2.065 -7.103 1.00 25.00 C ATOM 155 O GLU A 12 0.553 -0.965 -6.913 1.00 25.00 O ATOM 156 CB GLU A 12 -0.156 -3.387 -8.871 1.00 25.00 C ATOM 157 CG GLU A 12 -1.374 -2.454 -8.949 1.00 25.00 C ATOM 158 CD GLU A 12 -1.210 -1.376 -9.988 1.00 25.00 C ATOM 159 OE1 GLU A 12 -0.644 -1.540 -11.033 1.00 25.00 O ATOM 160 OE2 GLU A 12 -1.702 -0.241 -9.629 1.00 25.00 O ATOM 0 H GLU A 12 2.040 -4.559 -8.723 1.00 25.00 H new ATOM 0 HA GLU A 12 1.297 -1.862 -9.227 1.00 25.00 H new ATOM 0 HB2 GLU A 12 -0.027 -3.885 -9.832 1.00 25.00 H new ATOM 0 HB3 GLU A 12 -0.351 -4.165 -8.133 1.00 25.00 H new ATOM 0 HG2 GLU A 12 -2.263 -3.041 -9.177 1.00 25.00 H new ATOM 0 HG3 GLU A 12 -1.537 -1.993 -7.975 1.00 25.00 H new ATOM 167 N LEU A 13 1.600 -2.765 -6.129 1.00 25.00 N ATOM 168 CA LEU A 13 1.684 -2.240 -4.773 1.00 25.00 C ATOM 169 C LEU A 13 2.454 -0.907 -4.752 1.00 25.00 C ATOM 170 O LEU A 13 2.063 0.031 -4.073 1.00 25.00 O ATOM 171 CB LEU A 13 2.393 -3.253 -3.876 1.00 25.00 C ATOM 172 CG LEU A 13 2.558 -2.839 -2.407 1.00 25.00 C ATOM 173 CD1 LEU A 13 1.226 -2.506 -1.755 1.00 25.00 C ATOM 174 CD2 LEU A 13 3.237 -3.967 -1.655 1.00 25.00 C ATOM 0 H LEU A 13 1.998 -3.697 -6.248 1.00 25.00 H new ATOM 0 HA LEU A 13 0.673 -2.064 -4.405 1.00 25.00 H new ATOM 0 HB2 LEU A 13 1.839 -4.191 -3.910 1.00 25.00 H new ATOM 0 HB3 LEU A 13 3.381 -3.451 -4.292 1.00 25.00 H new ATOM 0 HG LEU A 13 3.167 -1.936 -2.371 1.00 25.00 H new ATOM 0 HD11 LEU A 13 1.391 -2.219 -0.717 1.00 25.00 H new ATOM 0 HD12 LEU A 13 0.755 -1.681 -2.290 1.00 25.00 H new ATOM 0 HD13 LEU A 13 0.575 -3.380 -1.791 1.00 25.00 H new ATOM 0 HD21 LEU A 13 3.360 -3.685 -0.609 1.00 25.00 H new ATOM 0 HD22 LEU A 13 2.625 -4.867 -1.719 1.00 25.00 H new ATOM 0 HD23 LEU A 13 4.215 -4.161 -2.096 1.00 25.00 H new ATOM 186 N VAL A 14 3.536 -0.824 -5.521 1.00 25.00 N ATOM 187 CA VAL A 14 4.356 0.392 -5.581 1.00 25.00 C ATOM 188 C VAL A 14 3.563 1.495 -6.256 1.00 25.00 C ATOM 189 O VAL A 14 3.589 2.641 -5.825 1.00 25.00 O ATOM 190 CB VAL A 14 5.669 0.155 -6.389 1.00 25.00 C ATOM 191 CG1 VAL A 14 6.500 1.443 -6.475 1.00 25.00 C ATOM 192 CG2 VAL A 14 6.506 -0.964 -5.741 1.00 25.00 C ATOM 0 H VAL A 14 3.870 -1.584 -6.114 1.00 25.00 H new ATOM 0 HA VAL A 14 4.621 0.672 -4.561 1.00 25.00 H new ATOM 0 HB VAL A 14 5.391 -0.147 -7.399 1.00 25.00 H new ATOM 0 HG11 VAL A 14 7.410 1.251 -7.043 1.00 25.00 H new ATOM 0 HG12 VAL A 14 5.918 2.219 -6.973 1.00 25.00 H new ATOM 0 HG13 VAL A 14 6.762 1.774 -5.470 1.00 25.00 H new ATOM 0 HG21 VAL A 14 7.418 -1.116 -6.318 1.00 25.00 H new ATOM 0 HG22 VAL A 14 6.764 -0.681 -4.721 1.00 25.00 H new ATOM 0 HG23 VAL A 14 5.928 -1.888 -5.726 1.00 25.00 H new ATOM 202 N ASP A 15 2.831 1.136 -7.296 1.00 25.00 N ATOM 203 CA ASP A 15 2.001 2.096 -8.015 1.00 25.00 C ATOM 204 C ASP A 15 0.946 2.668 -7.069 1.00 25.00 C ATOM 205 O ASP A 15 0.704 3.866 -7.034 1.00 25.00 O ATOM 206 CB ASP A 15 1.336 1.407 -9.203 1.00 25.00 C ATOM 207 CG ASP A 15 0.619 2.378 -10.107 1.00 25.00 C ATOM 208 OD1 ASP A 15 -0.492 2.041 -10.572 1.00 25.00 O ATOM 209 OD2 ASP A 15 1.180 3.461 -10.383 1.00 25.00 O ATOM 0 H ASP A 15 2.792 0.186 -7.665 1.00 25.00 H new ATOM 0 HA ASP A 15 2.620 2.913 -8.385 1.00 25.00 H new ATOM 0 HB2 ASP A 15 2.091 0.871 -9.777 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.627 0.664 -8.838 1.00 25.00 H new ATOM 214 N THR A 16 0.393 1.810 -6.229 1.00 25.00 N ATOM 215 CA THR A 16 -0.587 2.239 -5.236 1.00 25.00 C ATOM 216 C THR A 16 0.028 3.166 -4.198 1.00 25.00 C ATOM 217 O THR A 16 -0.572 4.161 -3.823 1.00 25.00 O ATOM 218 CB THR A 16 -1.194 1.041 -4.502 1.00 25.00 C ATOM 219 OG1 THR A 16 -1.648 0.083 -5.460 1.00 25.00 O ATOM 220 CG2 THR A 16 -2.374 1.475 -3.677 1.00 25.00 C ATOM 0 H THR A 16 0.603 0.812 -6.212 1.00 25.00 H new ATOM 0 HA THR A 16 -1.362 2.773 -5.786 1.00 25.00 H new ATOM 0 HB THR A 16 -0.432 0.608 -3.853 1.00 25.00 H new ATOM 0 HG1 THR A 16 -0.877 -0.375 -5.856 1.00 25.00 H new ATOM 0 HG21 THR A 16 -2.795 0.612 -3.161 1.00 25.00 H new ATOM 0 HG22 THR A 16 -2.053 2.215 -2.944 1.00 25.00 H new ATOM 0 HG23 THR A 16 -3.131 1.913 -4.327 1.00 25.00 H new ATOM 228 N LEU A 17 1.233 2.858 -3.740 1.00 25.00 N ATOM 229 CA LEU A 17 1.926 3.703 -2.765 1.00 25.00 C ATOM 230 C LEU A 17 2.161 5.100 -3.360 1.00 25.00 C ATOM 231 O LEU A 17 2.045 6.122 -2.674 1.00 25.00 O ATOM 232 CB LEU A 17 3.262 3.062 -2.380 1.00 25.00 C ATOM 233 CG LEU A 17 3.162 1.918 -1.358 1.00 25.00 C ATOM 234 CD1 LEU A 17 4.200 0.868 -1.619 1.00 25.00 C ATOM 235 CD2 LEU A 17 3.332 2.456 0.059 1.00 25.00 C ATOM 0 H LEU A 17 1.755 2.030 -4.025 1.00 25.00 H new ATOM 0 HA LEU A 17 1.310 3.799 -1.871 1.00 25.00 H new ATOM 0 HB2 LEU A 17 3.739 2.682 -3.283 1.00 25.00 H new ATOM 0 HB3 LEU A 17 3.916 3.835 -1.975 1.00 25.00 H new ATOM 0 HG LEU A 17 2.175 1.467 -1.460 1.00 25.00 H new ATOM 0 HD11 LEU A 17 4.105 0.072 -0.881 1.00 25.00 H new ATOM 0 HD12 LEU A 17 4.057 0.456 -2.618 1.00 25.00 H new ATOM 0 HD13 LEU A 17 5.193 1.312 -1.548 1.00 25.00 H new ATOM 0 HD21 LEU A 17 3.259 1.634 0.771 1.00 25.00 H new ATOM 0 HD22 LEU A 17 4.308 2.932 0.153 1.00 25.00 H new ATOM 0 HD23 LEU A 17 2.551 3.187 0.267 1.00 25.00 H new ATOM 247 N GLN A 18 2.454 5.141 -4.652 1.00 25.00 N ATOM 248 CA GLN A 18 2.643 6.406 -5.364 1.00 25.00 C ATOM 249 C GLN A 18 1.311 7.154 -5.531 1.00 25.00 C ATOM 250 O GLN A 18 1.283 8.372 -5.497 1.00 25.00 O ATOM 251 CB GLN A 18 3.280 6.146 -6.733 1.00 25.00 C ATOM 252 CG GLN A 18 4.727 5.644 -6.621 1.00 25.00 C ATOM 253 CD GLN A 18 5.348 5.220 -7.942 1.00 25.00 C ATOM 254 OE1 GLN A 18 4.546 4.753 -8.864 1.00 25.00 O flip ATOM 255 NE2 GLN A 18 6.561 5.290 -8.104 1.00 25.00 N flip ATOM 0 H GLN A 18 2.567 4.311 -5.234 1.00 25.00 H new ATOM 0 HA GLN A 18 3.309 7.034 -4.772 1.00 25.00 H new ATOM 0 HB2 GLN A 18 2.684 5.411 -7.274 1.00 25.00 H new ATOM 0 HB3 GLN A 18 3.262 7.065 -7.319 1.00 25.00 H new ATOM 0 HG2 GLN A 18 5.339 6.432 -6.182 1.00 25.00 H new ATOM 0 HG3 GLN A 18 4.753 4.799 -5.933 1.00 25.00 H new ATOM 0 HE21 GLN A 18 7.154 5.660 -7.361 1.00 25.00 H new ATOM 0 HE22 GLN A 18 6.977 4.978 -8.981 1.00 25.00 H new ATOM 264 N PHE A 19 0.219 6.423 -5.691 1.00 25.00 N ATOM 265 CA PHE A 19 -1.108 7.032 -5.809 1.00 25.00 C ATOM 266 C PHE A 19 -1.648 7.572 -4.474 1.00 25.00 C ATOM 267 O PHE A 19 -2.146 8.687 -4.405 1.00 25.00 O ATOM 268 CB PHE A 19 -2.090 5.994 -6.370 1.00 25.00 C ATOM 269 CG PHE A 19 -3.498 6.510 -6.516 1.00 25.00 C ATOM 270 CD1 PHE A 19 -3.870 7.265 -7.642 1.00 25.00 C ATOM 271 CD2 PHE A 19 -4.460 6.240 -5.523 1.00 25.00 C ATOM 272 CE1 PHE A 19 -5.191 7.761 -7.778 1.00 25.00 C ATOM 273 CE2 PHE A 19 -5.783 6.731 -5.644 1.00 25.00 C ATOM 274 CZ PHE A 19 -6.149 7.497 -6.772 1.00 25.00 C ATOM 0 H PHE A 19 0.220 5.404 -5.743 1.00 25.00 H new ATOM 0 HA PHE A 19 -1.010 7.885 -6.480 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -1.733 5.658 -7.343 1.00 25.00 H new ATOM 0 HB3 PHE A 19 -2.098 5.123 -5.715 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -3.141 7.469 -8.412 1.00 25.00 H new ATOM 0 HD2 PHE A 19 -4.186 5.652 -4.660 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -5.465 8.339 -8.648 1.00 25.00 H new ATOM 0 HE2 PHE A 19 -6.511 6.520 -4.874 1.00 25.00 H new ATOM 0 HZ PHE A 19 -7.155 7.879 -6.866 1.00 25.00 H new ATOM 284 N VAL A 20 -1.595 6.751 -3.431 1.00 25.00 N ATOM 285 CA VAL A 20 -2.194 7.097 -2.134 1.00 25.00 C ATOM 286 C VAL A 20 -1.387 8.160 -1.378 1.00 25.00 C ATOM 287 O VAL A 20 -1.934 8.910 -0.573 1.00 25.00 O ATOM 288 CB VAL A 20 -2.370 5.801 -1.248 1.00 25.00 C ATOM 289 CG1 VAL A 20 -1.034 5.274 -0.728 1.00 25.00 C ATOM 290 CG2 VAL A 20 -3.308 6.052 -0.067 1.00 25.00 C ATOM 0 H VAL A 20 -1.143 5.837 -3.452 1.00 25.00 H new ATOM 0 HA VAL A 20 -3.174 7.529 -2.338 1.00 25.00 H new ATOM 0 HB VAL A 20 -2.810 5.046 -1.900 1.00 25.00 H new ATOM 0 HG11 VAL A 20 -1.205 4.383 -0.124 1.00 25.00 H new ATOM 0 HG12 VAL A 20 -0.389 5.024 -1.570 1.00 25.00 H new ATOM 0 HG13 VAL A 20 -0.554 6.039 -0.118 1.00 25.00 H new ATOM 0 HG21 VAL A 20 -3.406 5.139 0.520 1.00 25.00 H new ATOM 0 HG22 VAL A 20 -2.900 6.845 0.560 1.00 25.00 H new ATOM 0 HG23 VAL A 20 -4.288 6.351 -0.438 1.00 25.00 H new ATOM 300 N CYS A 21 -0.086 8.213 -1.633 1.00 25.00 N ATOM 301 CA CYS A 21 0.796 9.142 -0.927 1.00 25.00 C ATOM 302 C CYS A 21 1.694 9.938 -1.865 1.00 25.00 C ATOM 303 O CYS A 21 1.694 11.159 -1.815 1.00 25.00 O ATOM 304 CB CYS A 21 1.637 8.366 0.085 1.00 25.00 C ATOM 305 SG CYS A 21 0.665 7.924 1.560 1.00 25.00 S ATOM 0 H CYS A 21 0.384 7.626 -2.322 1.00 25.00 H new ATOM 0 HA CYS A 21 0.166 9.870 -0.416 1.00 25.00 H new ATOM 0 HB2 CYS A 21 2.025 7.460 -0.381 1.00 25.00 H new ATOM 0 HB3 CYS A 21 2.497 8.966 0.381 1.00 25.00 H new ATOM 310 N GLY A 22 2.448 9.260 -2.718 1.00 25.00 N ATOM 311 CA GLY A 22 3.272 9.954 -3.702 1.00 25.00 C ATOM 312 C GLY A 22 4.265 10.957 -3.145 1.00 25.00 C ATOM 313 O GLY A 22 5.316 10.577 -2.628 1.00 25.00 O ATOM 0 H GLY A 22 2.508 8.242 -2.751 1.00 25.00 H new ATOM 0 HA2 GLY A 22 3.821 9.209 -4.278 1.00 25.00 H new ATOM 0 HA3 GLY A 22 2.613 10.472 -4.398 1.00 25.00 H new ATOM 317 N ASP A 23 3.933 12.240 -3.239 1.00 25.00 N ATOM 318 CA ASP A 23 4.807 13.325 -2.773 1.00 25.00 C ATOM 319 C ASP A 23 4.901 13.372 -1.245 1.00 25.00 C ATOM 320 O ASP A 23 5.812 13.978 -0.687 1.00 25.00 O ATOM 321 CB ASP A 23 4.323 14.678 -3.318 1.00 25.00 C ATOM 322 CG ASP A 23 3.367 15.395 -2.369 1.00 25.00 C ATOM 323 OD1 ASP A 23 2.393 14.782 -1.885 1.00 25.00 O ATOM 324 OD2 ASP A 23 3.600 16.588 -2.096 1.00 25.00 O ATOM 0 H ASP A 23 3.052 12.563 -3.639 1.00 25.00 H new ATOM 0 HA ASP A 23 5.807 13.122 -3.157 1.00 25.00 H new ATOM 0 HB2 ASP A 23 5.186 15.317 -3.507 1.00 25.00 H new ATOM 0 HB3 ASP A 23 3.826 14.521 -4.275 1.00 25.00 H new ATOM 329 N ARG A 24 4.004 12.656 -0.575 1.00 25.00 N ATOM 330 CA ARG A 24 4.060 12.515 0.884 1.00 25.00 C ATOM 331 C ARG A 24 5.234 11.624 1.265 1.00 25.00 C ATOM 332 O ARG A 24 5.634 11.577 2.431 1.00 25.00 O ATOM 333 CB ARG A 24 2.767 11.878 1.413 1.00 25.00 C ATOM 334 CG ARG A 24 1.477 12.666 1.143 1.00 25.00 C ATOM 335 CD ARG A 24 1.468 14.015 1.836 1.00 25.00 C ATOM 336 NE ARG A 24 1.961 15.088 0.953 1.00 25.00 N ATOM 337 CZ ARG A 24 2.245 16.322 1.337 1.00 25.00 C ATOM 338 NH1 ARG A 24 2.094 16.716 2.581 1.00 25.00 N ATOM 339 NH2 ARG A 24 2.685 17.180 0.469 1.00 25.00 N ATOM 0 H ARG A 24 3.227 12.162 -1.015 1.00 25.00 H new ATOM 0 HA ARG A 24 4.180 13.506 1.322 1.00 25.00 H new ATOM 0 HB2 ARG A 24 2.665 10.887 0.971 1.00 25.00 H new ATOM 0 HB3 ARG A 24 2.867 11.738 2.489 1.00 25.00 H new ATOM 0 HG2 ARG A 24 1.361 12.812 0.069 1.00 25.00 H new ATOM 0 HG3 ARG A 24 0.620 12.082 1.480 1.00 25.00 H new ATOM 0 HD2 ARG A 24 0.455 14.249 2.162 1.00 25.00 H new ATOM 0 HD3 ARG A 24 2.088 13.968 2.731 1.00 25.00 H new ATOM 0 HE ARG A 24 2.094 14.861 -0.033 1.00 25.00 H new ATOM 0 HH11 ARG A 24 1.748 16.063 3.284 1.00 25.00 H new ATOM 0 HH12 ARG A 24 2.322 17.675 2.844 1.00 25.00 H new ATOM 0 HH21 ARG A 24 2.811 16.902 -0.504 1.00 25.00 H new ATOM 0 HH22 ARG A 24 2.905 18.132 0.760 1.00 25.00 H new ATOM 353 N GLY A 25 5.756 10.909 0.276 1.00 25.00 N ATOM 354 CA GLY A 25 6.842 9.969 0.481 1.00 25.00 C ATOM 355 C GLY A 25 6.306 8.668 1.038 1.00 25.00 C ATOM 356 O GLY A 25 5.239 8.651 1.642 1.00 25.00 O ATOM 0 H GLY A 25 5.435 10.967 -0.691 1.00 25.00 H new ATOM 0 HA2 GLY A 25 7.357 9.785 -0.462 1.00 25.00 H new ATOM 0 HA3 GLY A 25 7.575 10.393 1.167 1.00 25.00 H new ATOM 360 N PHE A 26 7.033 7.575 0.857 1.00 25.00 N ATOM 361 CA PHE A 26 6.613 6.284 1.393 1.00 25.00 C ATOM 362 C PHE A 26 7.791 5.337 1.484 1.00 25.00 C ATOM 363 O PHE A 26 8.809 5.537 0.814 1.00 25.00 O ATOM 364 CB PHE A 26 5.508 5.663 0.524 1.00 25.00 C ATOM 365 CG PHE A 26 5.913 5.428 -0.908 1.00 25.00 C ATOM 366 CD1 PHE A 26 6.556 4.231 -1.289 1.00 25.00 C ATOM 367 CD2 PHE A 26 5.635 6.395 -1.896 1.00 25.00 C ATOM 368 CE1 PHE A 26 6.921 4.002 -2.637 1.00 25.00 C ATOM 369 CE2 PHE A 26 6.000 6.180 -3.240 1.00 25.00 C ATOM 370 CZ PHE A 26 6.642 4.979 -3.611 1.00 25.00 C ATOM 0 H PHE A 26 7.915 7.554 0.345 1.00 25.00 H new ATOM 0 HA PHE A 26 6.215 6.450 2.394 1.00 25.00 H new ATOM 0 HB2 PHE A 26 5.204 4.714 0.965 1.00 25.00 H new ATOM 0 HB3 PHE A 26 4.636 6.317 0.541 1.00 25.00 H new ATOM 0 HD1 PHE A 26 6.772 3.481 -0.543 1.00 25.00 H new ATOM 0 HD2 PHE A 26 5.136 7.312 -1.619 1.00 25.00 H new ATOM 0 HE1 PHE A 26 7.412 3.082 -2.917 1.00 25.00 H new ATOM 0 HE2 PHE A 26 5.789 6.933 -3.985 1.00 25.00 H new ATOM 0 HZ PHE A 26 6.919 4.810 -4.641 1.00 25.00 H new ATOM 380 N TYR A 27 7.642 4.305 2.301 1.00 25.00 N ATOM 381 CA TYR A 27 8.679 3.300 2.488 1.00 25.00 C ATOM 382 C TYR A 27 8.042 1.922 2.357 1.00 25.00 C ATOM 383 O TYR A 27 6.829 1.783 2.460 1.00 25.00 O ATOM 384 CB TYR A 27 9.314 3.455 3.874 1.00 25.00 C ATOM 385 CG TYR A 27 9.863 4.844 4.132 1.00 25.00 C ATOM 386 CD1 TYR A 27 10.907 5.370 3.341 1.00 25.00 C ATOM 387 CD2 TYR A 27 9.341 5.646 5.168 1.00 25.00 C ATOM 388 CE1 TYR A 27 11.409 6.678 3.572 1.00 25.00 C ATOM 389 CE2 TYR A 27 9.851 6.947 5.409 1.00 25.00 C ATOM 390 CZ TYR A 27 10.874 7.451 4.606 1.00 25.00 C ATOM 391 OH TYR A 27 11.367 8.709 4.839 1.00 25.00 O ATOM 0 H TYR A 27 6.800 4.140 2.853 1.00 25.00 H new ATOM 0 HA TYR A 27 9.459 3.423 1.736 1.00 25.00 H new ATOM 0 HB2 TYR A 27 8.570 3.219 4.635 1.00 25.00 H new ATOM 0 HB3 TYR A 27 10.120 2.728 3.980 1.00 25.00 H new ATOM 0 HD1 TYR A 27 11.330 4.769 2.549 1.00 25.00 H new ATOM 0 HD2 TYR A 27 8.542 5.264 5.786 1.00 25.00 H new ATOM 0 HE1 TYR A 27 12.200 7.073 2.952 1.00 25.00 H new ATOM 0 HE2 TYR A 27 9.448 7.546 6.212 1.00 25.00 H new ATOM 0 HH TYR A 27 10.887 9.114 5.591 1.00 25.00 H new ATOM 401 N PHE A 28 8.860 0.908 2.114 1.00 25.00 N ATOM 402 CA PHE A 28 8.360 -0.464 2.011 1.00 25.00 C ATOM 403 C PHE A 28 8.426 -1.109 3.395 1.00 25.00 C ATOM 404 O PHE A 28 7.436 -1.630 3.913 1.00 25.00 O ATOM 405 CB PHE A 28 9.209 -1.254 1.008 1.00 25.00 C ATOM 406 CG PHE A 28 8.423 -1.826 -0.146 1.00 25.00 C ATOM 407 CD1 PHE A 28 8.530 -3.192 -0.469 1.00 25.00 C ATOM 408 CD2 PHE A 28 7.575 -1.008 -0.925 1.00 25.00 C ATOM 409 CE1 PHE A 28 7.811 -3.738 -1.561 1.00 25.00 C ATOM 410 CE2 PHE A 28 6.845 -1.551 -2.011 1.00 25.00 C ATOM 411 CZ PHE A 28 6.968 -2.914 -2.331 1.00 25.00 C ATOM 0 H PHE A 28 9.867 1.003 1.985 1.00 25.00 H new ATOM 0 HA PHE A 28 7.329 -0.464 1.657 1.00 25.00 H new ATOM 0 HB2 PHE A 28 9.989 -0.602 0.615 1.00 25.00 H new ATOM 0 HB3 PHE A 28 9.709 -2.068 1.533 1.00 25.00 H new ATOM 0 HD1 PHE A 28 9.168 -3.832 0.123 1.00 25.00 H new ATOM 0 HD2 PHE A 28 7.482 0.042 -0.690 1.00 25.00 H new ATOM 0 HE1 PHE A 28 7.910 -4.786 -1.803 1.00 25.00 H new ATOM 0 HE2 PHE A 28 6.193 -0.917 -2.594 1.00 25.00 H new ATOM 0 HZ PHE A 28 6.418 -3.327 -3.164 1.00 25.00 H new ATOM 421 N SER A 29 9.591 -1.007 4.014 1.00 25.00 N ATOM 422 CA SER A 29 9.773 -1.431 5.391 1.00 25.00 C ATOM 423 C SER A 29 9.277 -0.287 6.250 1.00 25.00 C ATOM 424 O SER A 29 9.336 0.857 5.831 1.00 25.00 O ATOM 425 CB SER A 29 11.255 -1.681 5.662 1.00 25.00 C ATOM 426 OG SER A 29 12.043 -0.595 5.188 1.00 25.00 O ATOM 0 H SER A 29 10.433 -0.630 3.578 1.00 25.00 H new ATOM 0 HA SER A 29 9.233 -2.354 5.603 1.00 25.00 H new ATOM 0 HB2 SER A 29 11.417 -1.815 6.732 1.00 25.00 H new ATOM 0 HB3 SER A 29 11.568 -2.604 5.175 1.00 25.00 H new ATOM 0 HG SER A 29 12.033 0.129 5.848 1.00 25.00 H new ATOM 432 N ARG A 30 8.820 -0.579 7.461 1.00 25.00 N ATOM 433 CA ARG A 30 8.370 0.489 8.362 1.00 25.00 C ATOM 434 C ARG A 30 9.465 1.533 8.674 1.00 25.00 C ATOM 435 O ARG A 30 9.236 2.725 8.519 1.00 25.00 O ATOM 436 CB ARG A 30 7.737 -0.079 9.642 1.00 25.00 C ATOM 437 CG ARG A 30 6.678 -1.150 9.368 1.00 25.00 C ATOM 438 CD ARG A 30 5.419 -0.938 10.196 1.00 25.00 C ATOM 439 NE ARG A 30 4.684 0.255 9.740 1.00 25.00 N ATOM 440 CZ ARG A 30 3.369 0.336 9.577 1.00 25.00 C ATOM 441 NH1 ARG A 30 2.553 -0.657 9.833 1.00 25.00 N ATOM 442 NH2 ARG A 30 2.864 1.447 9.140 1.00 25.00 N ATOM 0 H ARG A 30 8.749 -1.523 7.842 1.00 25.00 H new ATOM 0 HA ARG A 30 7.594 1.031 7.821 1.00 25.00 H new ATOM 0 HB2 ARG A 30 8.521 -0.504 10.269 1.00 25.00 H new ATOM 0 HB3 ARG A 30 7.283 0.735 10.207 1.00 25.00 H new ATOM 0 HG2 ARG A 30 6.420 -1.141 8.309 1.00 25.00 H new ATOM 0 HG3 ARG A 30 7.093 -2.134 9.587 1.00 25.00 H new ATOM 0 HD2 ARG A 30 4.777 -1.816 10.121 1.00 25.00 H new ATOM 0 HD3 ARG A 30 5.685 -0.826 11.247 1.00 25.00 H new ATOM 0 HE ARG A 30 5.232 1.090 9.532 1.00 25.00 H new ATOM 0 HH11 ARG A 30 2.921 -1.545 10.175 1.00 25.00 H new ATOM 0 HH12 ARG A 30 1.550 -0.542 9.691 1.00 25.00 H new ATOM 0 HH21 ARG A 30 3.474 2.236 8.929 1.00 25.00 H new ATOM 0 HH22 ARG A 30 1.856 1.532 9.007 1.00 25.00 H new ATOM 456 N PRO A 31 10.671 1.097 9.079 1.00 25.00 N ATOM 457 CA PRO A 31 11.738 2.093 9.205 1.00 25.00 C ATOM 458 C PRO A 31 12.219 2.581 7.832 1.00 25.00 C ATOM 459 O PRO A 31 12.291 1.807 6.877 1.00 25.00 O ATOM 460 CB PRO A 31 12.841 1.320 9.929 1.00 25.00 C ATOM 461 CG PRO A 31 12.640 -0.096 9.488 1.00 25.00 C ATOM 462 CD PRO A 31 11.150 -0.254 9.408 1.00 25.00 C ATOM 0 HA PRO A 31 11.420 2.993 9.731 1.00 25.00 H new ATOM 0 HB2 PRO A 31 13.831 1.686 9.656 1.00 25.00 H new ATOM 0 HB3 PRO A 31 12.752 1.417 11.011 1.00 25.00 H new ATOM 0 HG2 PRO A 31 13.112 -0.282 8.523 1.00 25.00 H new ATOM 0 HG3 PRO A 31 13.077 -0.799 10.197 1.00 25.00 H new ATOM 0 HD2 PRO A 31 10.865 -0.977 8.643 1.00 25.00 H new ATOM 0 HD3 PRO A 31 10.734 -0.607 10.352 1.00 25.00 H new ATOM 470 N ALA A 32 12.587 3.855 7.760 1.00 25.00 N ATOM 471 CA ALA A 32 13.080 4.461 6.518 1.00 25.00 C ATOM 472 C ALA A 32 14.422 3.869 6.073 1.00 25.00 C ATOM 473 O ALA A 32 14.765 3.900 4.892 1.00 25.00 O ATOM 474 CB ALA A 32 13.240 5.967 6.725 1.00 25.00 C ATOM 0 H ALA A 32 12.554 4.497 8.552 1.00 25.00 H new ATOM 0 HA ALA A 32 12.351 4.251 5.735 1.00 25.00 H new ATOM 0 HB1 ALA A 32 13.606 6.424 5.806 1.00 25.00 H new ATOM 0 HB2 ALA A 32 12.276 6.403 6.988 1.00 25.00 H new ATOM 0 HB3 ALA A 32 13.952 6.150 7.530 1.00 25.00 H new ATOM 480 N SER A 33 15.180 3.377 7.049 1.00 25.00 N ATOM 481 CA SER A 33 16.535 2.856 6.836 1.00 25.00 C ATOM 482 C SER A 33 17.463 3.966 6.307 1.00 25.00 C ATOM 483 O SER A 33 17.168 5.156 6.428 1.00 25.00 O ATOM 484 CB SER A 33 16.506 1.637 5.894 1.00 25.00 C ATOM 485 OG SER A 33 17.721 0.899 5.949 1.00 25.00 O ATOM 0 H SER A 33 14.872 3.326 8.020 1.00 25.00 H new ATOM 0 HA SER A 33 16.936 2.520 7.792 1.00 25.00 H new ATOM 0 HB2 SER A 33 15.674 0.988 6.165 1.00 25.00 H new ATOM 0 HB3 SER A 33 16.330 1.971 4.872 1.00 25.00 H new ATOM 0 HG SER A 33 17.666 0.133 5.341 1.00 25.00 H new ATOM 491 N ARG A 34 18.615 3.570 5.786 1.00 25.00 N ATOM 492 CA ARG A 34 19.622 4.505 5.267 1.00 25.00 C ATOM 493 C ARG A 34 20.322 3.863 4.072 1.00 25.00 C ATOM 494 O ARG A 34 21.538 3.714 4.036 1.00 25.00 O ATOM 495 CB ARG A 34 20.609 4.897 6.368 1.00 25.00 C ATOM 496 CG ARG A 34 21.447 6.123 6.003 1.00 25.00 C ATOM 497 CD ARG A 34 21.910 6.852 7.239 1.00 25.00 C ATOM 498 NE ARG A 34 20.834 7.671 7.826 1.00 25.00 N ATOM 499 CZ ARG A 34 20.565 8.936 7.513 1.00 25.00 C ATOM 500 NH1 ARG A 34 21.262 9.606 6.626 1.00 25.00 N ATOM 501 NH2 ARG A 34 19.573 9.538 8.104 1.00 25.00 N ATOM 0 H ARG A 34 18.886 2.590 5.708 1.00 25.00 H new ATOM 0 HA ARG A 34 19.142 5.425 4.934 1.00 25.00 H new ATOM 0 HB2 ARG A 34 20.059 5.099 7.287 1.00 25.00 H new ATOM 0 HB3 ARG A 34 21.272 4.056 6.571 1.00 25.00 H new ATOM 0 HG2 ARG A 34 22.311 5.815 5.414 1.00 25.00 H new ATOM 0 HG3 ARG A 34 20.859 6.796 5.379 1.00 25.00 H new ATOM 0 HD2 ARG A 34 22.261 6.130 7.977 1.00 25.00 H new ATOM 0 HD3 ARG A 34 22.757 7.490 6.989 1.00 25.00 H new ATOM 0 HE ARG A 34 20.245 7.230 8.533 1.00 25.00 H new ATOM 0 HH11 ARG A 34 22.043 9.158 6.147 1.00 25.00 H new ATOM 0 HH12 ARG A 34 21.022 10.575 6.415 1.00 25.00 H new ATOM 0 HH21 ARG A 34 19.014 9.040 8.797 1.00 25.00 H new ATOM 0 HH22 ARG A 34 19.355 10.508 7.874 1.00 25.00 H new ATOM 515 N VAL A 35 19.521 3.435 3.112 1.00 25.00 N ATOM 516 CA VAL A 35 20.006 2.786 1.911 1.00 25.00 C ATOM 517 C VAL A 35 19.318 3.476 0.761 1.00 25.00 C ATOM 518 O VAL A 35 18.395 4.258 0.952 1.00 25.00 O ATOM 519 CB VAL A 35 19.662 1.260 1.871 1.00 25.00 C ATOM 520 CG1 VAL A 35 20.503 0.497 2.884 1.00 25.00 C ATOM 521 CG2 VAL A 35 18.162 1.014 2.127 1.00 25.00 C ATOM 0 H VAL A 35 18.506 3.530 3.147 1.00 25.00 H new ATOM 0 HA VAL A 35 21.093 2.861 1.867 1.00 25.00 H new ATOM 0 HB VAL A 35 19.896 0.894 0.871 1.00 25.00 H new ATOM 0 HG11 VAL A 35 20.250 -0.563 2.842 1.00 25.00 H new ATOM 0 HG12 VAL A 35 21.560 0.628 2.651 1.00 25.00 H new ATOM 0 HG13 VAL A 35 20.302 0.879 3.885 1.00 25.00 H new ATOM 0 HG21 VAL A 35 17.958 -0.056 2.092 1.00 25.00 H new ATOM 0 HG22 VAL A 35 17.892 1.403 3.109 1.00 25.00 H new ATOM 0 HG23 VAL A 35 17.574 1.521 1.361 1.00 25.00 H new ATOM 531 N SER A 36 19.769 3.154 -0.433 1.00 25.00 N ATOM 532 CA SER A 36 19.170 3.646 -1.661 1.00 25.00 C ATOM 533 C SER A 36 18.563 2.425 -2.348 1.00 25.00 C ATOM 534 O SER A 36 18.290 1.421 -1.683 1.00 25.00 O ATOM 535 CB SER A 36 20.242 4.325 -2.513 1.00 25.00 C ATOM 536 OG SER A 36 19.677 5.024 -3.613 1.00 25.00 O ATOM 0 H SER A 36 20.568 2.538 -0.582 1.00 25.00 H new ATOM 0 HA SER A 36 18.397 4.395 -1.487 1.00 25.00 H new ATOM 0 HB2 SER A 36 20.812 5.019 -1.895 1.00 25.00 H new ATOM 0 HB3 SER A 36 20.943 3.576 -2.880 1.00 25.00 H new ATOM 0 HG SER A 36 20.391 5.447 -4.134 1.00 25.00 H new ATOM 542 N ARG A 37 18.419 2.491 -3.671 1.00 25.00 N ATOM 543 CA ARG A 37 17.829 1.443 -4.496 1.00 25.00 C ATOM 544 C ARG A 37 16.378 1.150 -4.076 1.00 25.00 C ATOM 545 O ARG A 37 15.830 1.803 -3.201 1.00 25.00 O ATOM 546 CB ARG A 37 18.682 0.170 -4.450 1.00 25.00 C ATOM 547 CG ARG A 37 20.201 0.359 -4.199 1.00 25.00 C ATOM 548 CD ARG A 37 20.943 -0.969 -4.373 1.00 25.00 C ATOM 549 NE ARG A 37 22.352 -0.883 -3.937 1.00 25.00 N ATOM 550 CZ ARG A 37 23.384 -0.537 -4.704 1.00 25.00 C ATOM 551 NH1 ARG A 37 23.248 -0.215 -5.968 1.00 25.00 N ATOM 552 NH2 ARG A 37 24.581 -0.514 -4.185 1.00 25.00 N ATOM 0 H ARG A 37 18.720 3.301 -4.213 1.00 25.00 H new ATOM 0 HA ARG A 37 17.808 1.801 -5.525 1.00 25.00 H new ATOM 0 HB2 ARG A 37 18.286 -0.477 -3.668 1.00 25.00 H new ATOM 0 HB3 ARG A 37 18.556 -0.358 -5.395 1.00 25.00 H new ATOM 0 HG2 ARG A 37 20.601 1.099 -4.892 1.00 25.00 H new ATOM 0 HG3 ARG A 37 20.364 0.744 -3.192 1.00 25.00 H new ATOM 0 HD2 ARG A 37 20.434 -1.745 -3.801 1.00 25.00 H new ATOM 0 HD3 ARG A 37 20.906 -1.269 -5.420 1.00 25.00 H new ATOM 0 HE ARG A 37 22.552 -1.109 -2.963 1.00 25.00 H new ATOM 0 HH11 ARG A 37 22.324 -0.224 -6.400 1.00 25.00 H new ATOM 0 HH12 ARG A 37 24.066 0.044 -6.519 1.00 25.00 H new ATOM 0 HH21 ARG A 37 24.716 -0.759 -3.204 1.00 25.00 H new ATOM 0 HH22 ARG A 37 25.381 -0.251 -4.760 1.00 25.00 H new ATOM 566 N ARG A 38 15.753 0.179 -4.729 1.00 25.00 N ATOM 567 CA ARG A 38 14.387 -0.245 -4.387 1.00 25.00 C ATOM 568 C ARG A 38 14.407 -1.741 -4.108 1.00 25.00 C ATOM 569 O ARG A 38 13.632 -2.503 -4.669 1.00 25.00 O ATOM 570 CB ARG A 38 13.389 0.094 -5.504 1.00 25.00 C ATOM 571 CG ARG A 38 13.105 1.594 -5.642 1.00 25.00 C ATOM 572 CD ARG A 38 11.863 1.829 -6.510 1.00 25.00 C ATOM 573 NE ARG A 38 11.530 3.262 -6.661 1.00 25.00 N ATOM 574 CZ ARG A 38 10.790 3.979 -5.816 1.00 25.00 C ATOM 575 NH1 ARG A 38 10.285 3.479 -4.713 1.00 25.00 N ATOM 576 NH2 ARG A 38 10.549 5.230 -6.091 1.00 25.00 N ATOM 0 H ARG A 38 16.167 -0.337 -5.505 1.00 25.00 H new ATOM 0 HA ARG A 38 14.054 0.296 -3.501 1.00 25.00 H new ATOM 0 HB2 ARG A 38 13.776 -0.282 -6.451 1.00 25.00 H new ATOM 0 HB3 ARG A 38 12.452 -0.428 -5.312 1.00 25.00 H new ATOM 0 HG2 ARG A 38 12.955 2.034 -4.656 1.00 25.00 H new ATOM 0 HG3 ARG A 38 13.966 2.094 -6.086 1.00 25.00 H new ATOM 0 HD2 ARG A 38 12.027 1.393 -7.496 1.00 25.00 H new ATOM 0 HD3 ARG A 38 11.013 1.308 -6.069 1.00 25.00 H new ATOM 0 HE ARG A 38 11.898 3.742 -7.482 1.00 25.00 H new ATOM 0 HH11 ARG A 38 10.453 2.502 -4.472 1.00 25.00 H new ATOM 0 HH12 ARG A 38 9.724 4.067 -4.096 1.00 25.00 H new ATOM 0 HH21 ARG A 38 10.925 5.647 -6.943 1.00 25.00 H new ATOM 0 HH22 ARG A 38 9.984 5.792 -5.454 1.00 25.00 H new ATOM 590 N SER A 39 15.349 -2.149 -3.274 1.00 25.00 N ATOM 591 CA SER A 39 15.495 -3.552 -2.895 1.00 25.00 C ATOM 592 C SER A 39 14.210 -4.050 -2.229 1.00 25.00 C ATOM 593 O SER A 39 13.516 -3.274 -1.562 1.00 25.00 O ATOM 594 CB SER A 39 16.659 -3.689 -1.915 1.00 25.00 C ATOM 595 OG SER A 39 17.834 -3.094 -2.452 1.00 25.00 O ATOM 0 H SER A 39 16.031 -1.526 -2.841 1.00 25.00 H new ATOM 0 HA SER A 39 15.689 -4.148 -3.787 1.00 25.00 H new ATOM 0 HB2 SER A 39 16.403 -3.213 -0.968 1.00 25.00 H new ATOM 0 HB3 SER A 39 16.842 -4.742 -1.703 1.00 25.00 H new ATOM 0 HG SER A 39 18.570 -3.188 -1.812 1.00 25.00 H new ATOM 601 N PRO A 40 13.886 -5.346 -2.384 1.00 25.00 N ATOM 602 CA PRO A 40 12.672 -5.833 -1.720 1.00 25.00 C ATOM 603 C PRO A 40 12.801 -5.787 -0.201 1.00 25.00 C ATOM 604 O PRO A 40 13.905 -5.873 0.345 1.00 25.00 O ATOM 605 CB PRO A 40 12.554 -7.272 -2.232 1.00 25.00 C ATOM 606 CG PRO A 40 13.958 -7.663 -2.532 1.00 25.00 C ATOM 607 CD PRO A 40 14.564 -6.430 -3.122 1.00 25.00 C ATOM 0 HA PRO A 40 11.794 -5.226 -1.940 1.00 25.00 H new ATOM 0 HB2 PRO A 40 12.108 -7.927 -1.483 1.00 25.00 H new ATOM 0 HB3 PRO A 40 11.925 -7.329 -3.120 1.00 25.00 H new ATOM 0 HG2 PRO A 40 14.486 -7.974 -1.631 1.00 25.00 H new ATOM 0 HG3 PRO A 40 13.998 -8.500 -3.230 1.00 25.00 H new ATOM 0 HD2 PRO A 40 15.644 -6.402 -2.979 1.00 25.00 H new ATOM 0 HD3 PRO A 40 14.383 -6.364 -4.195 1.00 25.00 H new ATOM 615 N GLN A 41 11.675 -5.628 0.476 1.00 25.00 N ATOM 616 CA GLN A 41 11.651 -5.509 1.928 1.00 25.00 C ATOM 617 C GLN A 41 10.346 -6.072 2.468 1.00 25.00 C ATOM 618 O GLN A 41 9.396 -6.282 1.718 1.00 25.00 O ATOM 619 CB GLN A 41 11.768 -4.030 2.331 1.00 25.00 C ATOM 620 CG GLN A 41 13.142 -3.626 2.867 1.00 25.00 C ATOM 621 CD GLN A 41 13.498 -4.300 4.186 1.00 25.00 C ATOM 622 OE1 GLN A 41 12.668 -4.934 4.829 1.00 25.00 O ATOM 623 NE2 GLN A 41 14.728 -4.156 4.597 1.00 25.00 N ATOM 0 H GLN A 41 10.755 -5.578 0.038 1.00 25.00 H new ATOM 0 HA GLN A 41 12.490 -6.068 2.343 1.00 25.00 H new ATOM 0 HB2 GLN A 41 11.533 -3.411 1.465 1.00 25.00 H new ATOM 0 HB3 GLN A 41 11.017 -3.813 3.091 1.00 25.00 H new ATOM 0 HG2 GLN A 41 13.901 -3.873 2.125 1.00 25.00 H new ATOM 0 HG3 GLN A 41 13.168 -2.545 3.001 1.00 25.00 H new ATOM 0 HE21 GLN A 41 15.393 -3.622 4.038 1.00 25.00 H new ATOM 0 HE22 GLN A 41 15.024 -4.577 5.477 1.00 25.00 H new ATOM 632 N ARG A 42 10.312 -6.294 3.774 1.00 25.00 N ATOM 633 CA ARG A 42 9.114 -6.757 4.479 1.00 25.00 C ATOM 634 C ARG A 42 8.294 -5.516 4.853 1.00 25.00 C ATOM 635 O ARG A 42 8.578 -4.433 4.357 1.00 25.00 O ATOM 636 CB ARG A 42 9.536 -7.573 5.708 1.00 25.00 C ATOM 637 CG ARG A 42 9.938 -8.997 5.354 1.00 25.00 C ATOM 638 CD ARG A 42 10.297 -9.804 6.597 1.00 25.00 C ATOM 639 NE ARG A 42 10.671 -11.187 6.245 1.00 25.00 N ATOM 640 CZ ARG A 42 9.840 -12.227 6.203 1.00 25.00 C ATOM 641 NH1 ARG A 42 8.570 -12.142 6.499 1.00 25.00 N ATOM 642 NH2 ARG A 42 10.312 -13.393 5.856 1.00 25.00 N ATOM 0 H ARG A 42 11.119 -6.158 4.384 1.00 25.00 H new ATOM 0 HA ARG A 42 8.500 -7.410 3.859 1.00 25.00 H new ATOM 0 HB2 ARG A 42 10.371 -7.075 6.201 1.00 25.00 H new ATOM 0 HB3 ARG A 42 8.713 -7.598 6.423 1.00 25.00 H new ATOM 0 HG2 ARG A 42 9.120 -9.486 4.826 1.00 25.00 H new ATOM 0 HG3 ARG A 42 10.790 -8.977 4.674 1.00 25.00 H new ATOM 0 HD2 ARG A 42 11.123 -9.323 7.120 1.00 25.00 H new ATOM 0 HD3 ARG A 42 9.450 -9.817 7.283 1.00 25.00 H new ATOM 0 HE ARG A 42 11.649 -11.362 6.014 1.00 25.00 H new ATOM 0 HH11 ARG A 42 8.170 -11.246 6.779 1.00 25.00 H new ATOM 0 HH12 ARG A 42 7.978 -12.971 6.450 1.00 25.00 H new ATOM 0 HH21 ARG A 42 11.300 -13.495 5.623 1.00 25.00 H new ATOM 0 HH22 ARG A 42 9.693 -14.203 5.817 1.00 25.00 H new ATOM 656 N GLY A 43 7.284 -5.659 5.700 1.00 25.00 N ATOM 657 CA GLY A 43 6.443 -4.531 6.067 1.00 25.00 C ATOM 658 C GLY A 43 5.190 -4.451 5.216 1.00 25.00 C ATOM 659 O GLY A 43 4.253 -5.210 5.424 1.00 25.00 O ATOM 0 H GLY A 43 7.029 -6.541 6.144 1.00 25.00 H new ATOM 0 HA2 GLY A 43 6.163 -4.615 7.117 1.00 25.00 H new ATOM 0 HA3 GLY A 43 7.011 -3.607 5.962 1.00 25.00 H new ATOM 663 N ILE A 44 5.169 -3.547 4.247 1.00 25.00 N ATOM 664 CA ILE A 44 3.988 -3.354 3.395 1.00 25.00 C ATOM 665 C ILE A 44 3.608 -4.647 2.647 1.00 25.00 C ATOM 666 O ILE A 44 2.437 -4.922 2.418 1.00 25.00 O ATOM 667 CB ILE A 44 4.243 -2.168 2.389 1.00 25.00 C ATOM 668 CG1 ILE A 44 2.976 -1.793 1.601 1.00 25.00 C ATOM 669 CG2 ILE A 44 5.350 -2.519 1.380 1.00 25.00 C ATOM 670 CD1 ILE A 44 1.995 -0.918 2.328 1.00 25.00 C ATOM 0 H ILE A 44 5.952 -2.932 4.026 1.00 25.00 H new ATOM 0 HA ILE A 44 3.143 -3.098 4.034 1.00 25.00 H new ATOM 0 HB ILE A 44 4.549 -1.319 3.000 1.00 25.00 H new ATOM 0 HG12 ILE A 44 3.277 -1.287 0.684 1.00 25.00 H new ATOM 0 HG13 ILE A 44 2.468 -2.711 1.306 1.00 25.00 H new ATOM 0 HG21 ILE A 44 5.502 -1.681 0.700 1.00 25.00 H new ATOM 0 HG22 ILE A 44 6.277 -2.725 1.914 1.00 25.00 H new ATOM 0 HG23 ILE A 44 5.056 -3.400 0.809 1.00 25.00 H new ATOM 0 HD11 ILE A 44 1.141 -0.715 1.682 1.00 25.00 H new ATOM 0 HD12 ILE A 44 1.655 -1.425 3.231 1.00 25.00 H new ATOM 0 HD13 ILE A 44 2.477 0.022 2.599 1.00 25.00 H new ATOM 682 N VAL A 45 4.593 -5.465 2.307 1.00 25.00 N ATOM 683 CA VAL A 45 4.338 -6.710 1.582 1.00 25.00 C ATOM 684 C VAL A 45 3.580 -7.694 2.471 1.00 25.00 C ATOM 685 O VAL A 45 2.719 -8.436 2.016 1.00 25.00 O ATOM 686 CB VAL A 45 5.681 -7.354 1.118 1.00 25.00 C ATOM 687 CG1 VAL A 45 5.441 -8.646 0.318 1.00 25.00 C ATOM 688 CG2 VAL A 45 6.462 -6.362 0.250 1.00 25.00 C ATOM 0 H VAL A 45 5.576 -5.293 2.519 1.00 25.00 H new ATOM 0 HA VAL A 45 3.733 -6.478 0.706 1.00 25.00 H new ATOM 0 HB VAL A 45 6.255 -7.603 2.011 1.00 25.00 H new ATOM 0 HG11 VAL A 45 6.398 -9.067 0.011 1.00 25.00 H new ATOM 0 HG12 VAL A 45 4.911 -9.366 0.941 1.00 25.00 H new ATOM 0 HG13 VAL A 45 4.844 -8.421 -0.566 1.00 25.00 H new ATOM 0 HG21 VAL A 45 7.399 -6.818 -0.071 1.00 25.00 H new ATOM 0 HG22 VAL A 45 5.868 -6.099 -0.625 1.00 25.00 H new ATOM 0 HG23 VAL A 45 6.675 -5.463 0.828 1.00 25.00 H new ATOM 698 N GLU A 46 3.890 -7.696 3.751 1.00 25.00 N ATOM 699 CA GLU A 46 3.278 -8.652 4.659 1.00 25.00 C ATOM 700 C GLU A 46 1.819 -8.299 4.896 1.00 25.00 C ATOM 701 O GLU A 46 0.966 -9.175 4.940 1.00 25.00 O ATOM 702 CB GLU A 46 4.070 -8.690 5.964 1.00 25.00 C ATOM 703 CG GLU A 46 5.508 -9.156 5.737 1.00 25.00 C ATOM 704 CD GLU A 46 6.381 -8.998 6.957 1.00 25.00 C ATOM 705 OE1 GLU A 46 6.583 -7.846 7.386 1.00 25.00 O ATOM 706 OE2 GLU A 46 7.018 -9.992 7.365 1.00 25.00 O ATOM 0 H GLU A 46 4.554 -7.055 4.185 1.00 25.00 H new ATOM 0 HA GLU A 46 3.301 -9.647 4.215 1.00 25.00 H new ATOM 0 HB2 GLU A 46 4.076 -7.698 6.416 1.00 25.00 H new ATOM 0 HB3 GLU A 46 3.577 -9.359 6.670 1.00 25.00 H new ATOM 0 HG2 GLU A 46 5.501 -10.204 5.436 1.00 25.00 H new ATOM 0 HG3 GLU A 46 5.941 -8.590 4.912 1.00 25.00 H new ATOM 713 N GLU A 47 1.524 -7.013 4.992 1.00 25.00 N ATOM 714 CA GLU A 47 0.155 -6.568 5.235 1.00 25.00 C ATOM 715 C GLU A 47 -0.721 -6.473 3.986 1.00 25.00 C ATOM 716 O GLU A 47 -1.933 -6.625 4.078 1.00 25.00 O ATOM 717 CB GLU A 47 0.179 -5.215 5.933 1.00 25.00 C ATOM 718 CG GLU A 47 -0.280 -5.299 7.380 1.00 25.00 C ATOM 719 CD GLU A 47 0.668 -6.118 8.243 1.00 25.00 C ATOM 720 OE1 GLU A 47 0.235 -7.186 8.737 1.00 25.00 O ATOM 721 OE2 GLU A 47 1.823 -5.689 8.452 1.00 25.00 O ATOM 0 H GLU A 47 2.207 -6.260 4.907 1.00 25.00 H new ATOM 0 HA GLU A 47 -0.298 -7.337 5.860 1.00 25.00 H new ATOM 0 HB2 GLU A 47 1.190 -4.810 5.899 1.00 25.00 H new ATOM 0 HB3 GLU A 47 -0.462 -4.519 5.392 1.00 25.00 H new ATOM 0 HG2 GLU A 47 -0.363 -4.293 7.791 1.00 25.00 H new ATOM 0 HG3 GLU A 47 -1.275 -5.742 7.417 1.00 25.00 H new ATOM 728 N CYS A 48 -0.132 -6.196 2.830 1.00 25.00 N ATOM 729 CA CYS A 48 -0.919 -5.998 1.608 1.00 25.00 C ATOM 730 C CYS A 48 -0.808 -7.101 0.553 1.00 25.00 C ATOM 731 O CYS A 48 -1.645 -7.157 -0.337 1.00 25.00 O ATOM 732 CB CYS A 48 -0.537 -4.666 0.962 1.00 25.00 C ATOM 733 SG CYS A 48 -0.938 -3.209 1.982 1.00 25.00 S ATOM 0 H CYS A 48 0.876 -6.103 2.707 1.00 25.00 H new ATOM 0 HA CYS A 48 -1.956 -6.017 1.945 1.00 25.00 H new ATOM 0 HB2 CYS A 48 0.533 -4.668 0.753 1.00 25.00 H new ATOM 0 HB3 CYS A 48 -1.048 -4.578 0.003 1.00 25.00 H new ATOM 738 N CYS A 49 0.211 -7.951 0.633 1.00 25.00 N ATOM 739 CA CYS A 49 0.408 -9.024 -0.363 1.00 25.00 C ATOM 740 C CYS A 49 0.252 -10.422 0.245 1.00 25.00 C ATOM 741 O CYS A 49 -0.403 -11.281 -0.341 1.00 25.00 O ATOM 742 CB CYS A 49 1.791 -8.890 -1.014 1.00 25.00 C ATOM 743 SG CYS A 49 2.191 -10.218 -2.197 1.00 25.00 S ATOM 0 H CYS A 49 0.916 -7.926 1.370 1.00 25.00 H new ATOM 0 HA CYS A 49 -0.370 -8.909 -1.118 1.00 25.00 H new ATOM 0 HB2 CYS A 49 1.846 -7.931 -1.529 1.00 25.00 H new ATOM 0 HB3 CYS A 49 2.549 -8.876 -0.231 1.00 25.00 H new ATOM 748 N PHE A 50 0.832 -10.651 1.418 1.00 25.00 N ATOM 749 CA PHE A 50 0.672 -11.947 2.101 1.00 25.00 C ATOM 750 C PHE A 50 -0.646 -11.944 2.870 1.00 25.00 C ATOM 751 O PHE A 50 -1.183 -12.984 3.245 1.00 25.00 O ATOM 752 CB PHE A 50 1.839 -12.213 3.057 1.00 25.00 C ATOM 753 CG PHE A 50 3.197 -12.237 2.384 1.00 25.00 C ATOM 754 CD1 PHE A 50 3.354 -12.675 1.046 1.00 25.00 C ATOM 755 CD2 PHE A 50 4.338 -11.827 3.096 1.00 25.00 C ATOM 756 CE1 PHE A 50 4.631 -12.685 0.433 1.00 25.00 C ATOM 757 CE2 PHE A 50 5.620 -11.837 2.495 1.00 25.00 C ATOM 758 CZ PHE A 50 5.763 -12.264 1.158 1.00 25.00 C ATOM 0 H PHE A 50 1.410 -9.974 1.916 1.00 25.00 H new ATOM 0 HA PHE A 50 0.665 -12.742 1.355 1.00 25.00 H new ATOM 0 HB2 PHE A 50 1.843 -11.446 3.831 1.00 25.00 H new ATOM 0 HB3 PHE A 50 1.676 -13.168 3.556 1.00 25.00 H new ATOM 0 HD1 PHE A 50 2.491 -13.005 0.487 1.00 25.00 H new ATOM 0 HD2 PHE A 50 4.235 -11.499 4.120 1.00 25.00 H new ATOM 0 HE1 PHE A 50 4.737 -13.015 -0.590 1.00 25.00 H new ATOM 0 HE2 PHE A 50 6.485 -11.519 3.058 1.00 25.00 H new ATOM 0 HZ PHE A 50 6.737 -12.268 0.692 1.00 25.00 H new ATOM 768 N ARG A 51 -1.174 -10.745 3.044 1.00 25.00 N ATOM 769 CA ARG A 51 -2.508 -10.512 3.583 1.00 25.00 C ATOM 770 C ARG A 51 -3.124 -9.602 2.538 1.00 25.00 C ATOM 771 O ARG A 51 -2.608 -9.505 1.438 1.00 25.00 O ATOM 772 CB ARG A 51 -2.448 -9.803 4.940 1.00 25.00 C ATOM 773 CG ARG A 51 -1.867 -10.622 6.059 1.00 25.00 C ATOM 774 CD ARG A 51 -1.762 -9.764 7.311 1.00 25.00 C ATOM 775 NE ARG A 51 -3.091 -9.470 7.878 1.00 25.00 N ATOM 776 CZ ARG A 51 -3.336 -8.605 8.856 1.00 25.00 C ATOM 777 NH1 ARG A 51 -2.399 -7.893 9.427 1.00 25.00 N ATOM 778 NH2 ARG A 51 -4.564 -8.454 9.269 1.00 25.00 N ATOM 0 H ARG A 51 -0.678 -9.885 2.810 1.00 25.00 H new ATOM 0 HA ARG A 51 -3.066 -11.431 3.759 1.00 25.00 H new ATOM 0 HB2 ARG A 51 -1.858 -8.893 4.832 1.00 25.00 H new ATOM 0 HB3 ARG A 51 -3.457 -9.498 5.219 1.00 25.00 H new ATOM 0 HG2 ARG A 51 -2.495 -11.492 6.252 1.00 25.00 H new ATOM 0 HG3 ARG A 51 -0.883 -10.996 5.778 1.00 25.00 H new ATOM 0 HD2 ARG A 51 -1.153 -10.278 8.055 1.00 25.00 H new ATOM 0 HD3 ARG A 51 -1.253 -8.830 7.072 1.00 25.00 H new ATOM 0 HE ARG A 51 -3.888 -9.972 7.487 1.00 25.00 H new ATOM 0 HH11 ARG A 51 -1.430 -7.989 9.125 1.00 25.00 H new ATOM 0 HH12 ARG A 51 -2.638 -7.242 10.175 1.00 25.00 H new ATOM 0 HH21 ARG A 51 -5.316 -8.995 8.842 1.00 25.00 H new ATOM 0 HH22 ARG A 51 -4.772 -7.795 10.019 1.00 25.00 H new ATOM 792 N SER A 52 -4.162 -8.881 2.907 1.00 25.00 N ATOM 793 CA SER A 52 -4.741 -7.867 2.033 1.00 25.00 C ATOM 794 C SER A 52 -5.004 -6.683 2.938 1.00 25.00 C ATOM 795 O SER A 52 -5.189 -6.866 4.148 1.00 25.00 O ATOM 796 CB SER A 52 -6.022 -8.367 1.363 1.00 25.00 C ATOM 797 OG SER A 52 -6.466 -7.442 0.383 1.00 25.00 O ATOM 0 H SER A 52 -4.628 -8.975 3.809 1.00 25.00 H new ATOM 0 HA SER A 52 -4.075 -7.607 1.210 1.00 25.00 H new ATOM 0 HB2 SER A 52 -5.842 -9.337 0.900 1.00 25.00 H new ATOM 0 HB3 SER A 52 -6.799 -8.511 2.114 1.00 25.00 H new ATOM 0 HG SER A 52 -7.285 -7.778 -0.037 1.00 25.00 H new ATOM 803 N CYS A 53 -4.960 -5.482 2.384 1.00 25.00 N ATOM 804 CA CYS A 53 -5.039 -4.266 3.180 1.00 25.00 C ATOM 805 C CYS A 53 -5.954 -3.233 2.548 1.00 25.00 C ATOM 806 O CYS A 53 -6.266 -3.303 1.364 1.00 25.00 O ATOM 807 CB CYS A 53 -3.637 -3.668 3.327 1.00 25.00 C ATOM 808 SG CYS A 53 -2.948 -3.010 1.771 1.00 25.00 S ATOM 0 H CYS A 53 -4.870 -5.322 1.381 1.00 25.00 H new ATOM 0 HA CYS A 53 -5.451 -4.531 4.154 1.00 25.00 H new ATOM 0 HB2 CYS A 53 -3.670 -2.867 4.066 1.00 25.00 H new ATOM 0 HB3 CYS A 53 -2.965 -4.433 3.716 1.00 25.00 H new ATOM 813 N ASP A 54 -6.349 -2.259 3.351 1.00 25.00 N ATOM 814 CA ASP A 54 -7.138 -1.128 2.876 1.00 25.00 C ATOM 815 C ASP A 54 -6.188 0.040 2.670 1.00 25.00 C ATOM 816 O ASP A 54 -5.105 0.068 3.261 1.00 25.00 O ATOM 817 CB ASP A 54 -8.192 -0.731 3.905 1.00 25.00 C ATOM 818 CG ASP A 54 -8.993 0.471 3.461 1.00 25.00 C ATOM 819 OD1 ASP A 54 -9.481 0.468 2.314 1.00 25.00 O ATOM 820 OD2 ASP A 54 -8.958 1.489 4.173 1.00 25.00 O ATOM 0 H ASP A 54 -6.134 -2.227 4.348 1.00 25.00 H new ATOM 0 HA ASP A 54 -7.647 -1.399 1.951 1.00 25.00 H new ATOM 0 HB2 ASP A 54 -8.865 -1.571 4.077 1.00 25.00 H new ATOM 0 HB3 ASP A 54 -7.706 -0.512 4.856 1.00 25.00 H new ATOM 825 N LEU A 55 -6.600 1.025 1.886 1.00 25.00 N ATOM 826 CA LEU A 55 -5.788 2.212 1.641 1.00 25.00 C ATOM 827 C LEU A 55 -5.468 2.971 2.934 1.00 25.00 C ATOM 828 O LEU A 55 -4.402 3.564 3.048 1.00 25.00 O ATOM 829 CB LEU A 55 -6.494 3.140 0.643 1.00 25.00 C ATOM 830 CG LEU A 55 -7.851 3.736 1.068 1.00 25.00 C ATOM 831 CD1 LEU A 55 -7.699 5.219 1.413 1.00 25.00 C ATOM 832 CD2 LEU A 55 -8.875 3.562 -0.048 1.00 25.00 C ATOM 0 H LEU A 55 -7.499 1.027 1.404 1.00 25.00 H new ATOM 0 HA LEU A 55 -4.841 1.877 1.218 1.00 25.00 H new ATOM 0 HB2 LEU A 55 -5.820 3.966 0.415 1.00 25.00 H new ATOM 0 HB3 LEU A 55 -6.644 2.586 -0.284 1.00 25.00 H new ATOM 0 HG LEU A 55 -8.200 3.205 1.954 1.00 25.00 H new ATOM 0 HD11 LEU A 55 -8.666 5.624 1.711 1.00 25.00 H new ATOM 0 HD12 LEU A 55 -6.990 5.331 2.234 1.00 25.00 H new ATOM 0 HD13 LEU A 55 -7.332 5.760 0.541 1.00 25.00 H new ATOM 0 HD21 LEU A 55 -9.829 3.987 0.264 1.00 25.00 H new ATOM 0 HD22 LEU A 55 -8.526 4.074 -0.945 1.00 25.00 H new ATOM 0 HD23 LEU A 55 -9.003 2.501 -0.262 1.00 25.00 H new ATOM 844 N ALA A 56 -6.353 2.919 3.923 1.00 25.00 N ATOM 845 CA ALA A 56 -6.102 3.583 5.199 1.00 25.00 C ATOM 846 C ALA A 56 -4.916 2.934 5.916 1.00 25.00 C ATOM 847 O ALA A 56 -4.056 3.616 6.467 1.00 25.00 O ATOM 848 CB ALA A 56 -7.349 3.511 6.082 1.00 25.00 C ATOM 0 H ALA A 56 -7.245 2.428 3.868 1.00 25.00 H new ATOM 0 HA ALA A 56 -5.862 4.628 5.005 1.00 25.00 H new ATOM 0 HB1 ALA A 56 -7.152 4.009 7.031 1.00 25.00 H new ATOM 0 HB2 ALA A 56 -8.180 4.005 5.579 1.00 25.00 H new ATOM 0 HB3 ALA A 56 -7.605 2.468 6.266 1.00 25.00 H new ATOM 854 N LEU A 57 -4.875 1.610 5.903 1.00 25.00 N ATOM 855 CA LEU A 57 -3.790 0.872 6.541 1.00 25.00 C ATOM 856 C LEU A 57 -2.504 1.098 5.757 1.00 25.00 C ATOM 857 O LEU A 57 -1.437 1.300 6.325 1.00 25.00 O ATOM 858 CB LEU A 57 -4.127 -0.623 6.580 1.00 25.00 C ATOM 859 CG LEU A 57 -3.063 -1.457 7.305 1.00 25.00 C ATOM 860 CD1 LEU A 57 -3.732 -2.518 8.170 1.00 25.00 C ATOM 861 CD2 LEU A 57 -2.087 -2.125 6.339 1.00 25.00 C ATOM 0 H LEU A 57 -5.580 1.022 5.458 1.00 25.00 H new ATOM 0 HA LEU A 57 -3.659 1.226 7.563 1.00 25.00 H new ATOM 0 HB2 LEU A 57 -5.088 -0.761 7.075 1.00 25.00 H new ATOM 0 HB3 LEU A 57 -4.238 -0.992 5.560 1.00 25.00 H new ATOM 0 HG LEU A 57 -2.490 -0.772 7.929 1.00 25.00 H new ATOM 0 HD11 LEU A 57 -2.969 -3.105 8.681 1.00 25.00 H new ATOM 0 HD12 LEU A 57 -4.373 -2.035 8.908 1.00 25.00 H new ATOM 0 HD13 LEU A 57 -4.334 -3.174 7.541 1.00 25.00 H new ATOM 0 HD21 LEU A 57 -1.355 -2.703 6.903 1.00 25.00 H new ATOM 0 HD22 LEU A 57 -2.634 -2.788 5.669 1.00 25.00 H new ATOM 0 HD23 LEU A 57 -1.574 -1.362 5.754 1.00 25.00 H new ATOM 873 N LEU A 58 -2.625 1.074 4.444 1.00 25.00 N ATOM 874 CA LEU A 58 -1.496 1.266 3.547 1.00 25.00 C ATOM 875 C LEU A 58 -0.835 2.627 3.795 1.00 25.00 C ATOM 876 O LEU A 58 0.389 2.742 3.859 1.00 25.00 O ATOM 877 CB LEU A 58 -2.031 1.185 2.116 1.00 25.00 C ATOM 878 CG LEU A 58 -1.081 0.952 0.942 1.00 25.00 C ATOM 879 CD1 LEU A 58 -1.886 1.041 -0.303 1.00 25.00 C ATOM 880 CD2 LEU A 58 0.045 1.949 0.858 1.00 25.00 C ATOM 0 H LEU A 58 -3.512 0.920 3.965 1.00 25.00 H new ATOM 0 HA LEU A 58 -0.739 0.500 3.718 1.00 25.00 H new ATOM 0 HB2 LEU A 58 -2.770 0.385 2.094 1.00 25.00 H new ATOM 0 HB3 LEU A 58 -2.563 2.116 1.919 1.00 25.00 H new ATOM 0 HG LEU A 58 -0.616 -0.024 1.082 1.00 25.00 H new ATOM 0 HD11 LEU A 58 -1.240 0.879 -1.166 1.00 25.00 H new ATOM 0 HD12 LEU A 58 -2.667 0.281 -0.287 1.00 25.00 H new ATOM 0 HD13 LEU A 58 -2.343 2.028 -0.371 1.00 25.00 H new ATOM 0 HD21 LEU A 58 0.674 1.716 -0.001 1.00 25.00 H new ATOM 0 HD22 LEU A 58 -0.365 2.953 0.745 1.00 25.00 H new ATOM 0 HD23 LEU A 58 0.642 1.901 1.769 1.00 25.00 H new ATOM 892 N GLU A 59 -1.660 3.647 3.974 1.00 25.00 N ATOM 893 CA GLU A 59 -1.191 5.017 4.194 1.00 25.00 C ATOM 894 C GLU A 59 -0.251 5.140 5.408 1.00 25.00 C ATOM 895 O GLU A 59 0.578 6.040 5.475 1.00 25.00 O ATOM 896 CB GLU A 59 -2.410 5.933 4.381 1.00 25.00 C ATOM 897 CG GLU A 59 -2.086 7.422 4.483 1.00 25.00 C ATOM 898 CD GLU A 59 -3.317 8.275 4.603 1.00 25.00 C ATOM 899 OE1 GLU A 59 -3.440 9.351 4.096 1.00 25.00 O ATOM 900 OE2 GLU A 59 -4.238 7.760 5.340 1.00 25.00 O ATOM 0 H GLU A 59 -2.676 3.554 3.972 1.00 25.00 H new ATOM 0 HA GLU A 59 -0.612 5.315 3.320 1.00 25.00 H new ATOM 0 HB2 GLU A 59 -3.092 5.781 3.545 1.00 25.00 H new ATOM 0 HB3 GLU A 59 -2.940 5.629 5.284 1.00 25.00 H new ATOM 0 HG2 GLU A 59 -1.445 7.592 5.348 1.00 25.00 H new ATOM 0 HG3 GLU A 59 -1.521 7.728 3.603 1.00 25.00 H new ATOM 907 N THR A 60 -0.347 4.224 6.357 1.00 25.00 N ATOM 908 CA THR A 60 0.508 4.269 7.546 1.00 25.00 C ATOM 909 C THR A 60 1.991 3.993 7.238 1.00 25.00 C ATOM 910 O THR A 60 2.858 4.254 8.071 1.00 25.00 O ATOM 911 CB THR A 60 0.005 3.313 8.649 1.00 25.00 C ATOM 912 OG1 THR A 60 0.215 1.952 8.261 1.00 25.00 O ATOM 913 CG2 THR A 60 -1.482 3.525 8.903 1.00 25.00 C ATOM 0 H THR A 60 -1.002 3.442 6.334 1.00 25.00 H new ATOM 0 HA THR A 60 0.441 5.293 7.913 1.00 25.00 H new ATOM 0 HB THR A 60 0.565 3.527 9.559 1.00 25.00 H new ATOM 0 HG1 THR A 60 -0.110 1.819 7.346 1.00 25.00 H new ATOM 0 HG21 THR A 60 -1.819 2.843 9.683 1.00 25.00 H new ATOM 0 HG22 THR A 60 -1.654 4.553 9.221 1.00 25.00 H new ATOM 0 HG23 THR A 60 -2.039 3.331 7.986 1.00 25.00 H new ATOM 921 N TYR A 61 2.279 3.435 6.069 1.00 25.00 N ATOM 922 CA TYR A 61 3.662 3.148 5.652 1.00 25.00 C ATOM 923 C TYR A 61 4.269 4.345 4.903 1.00 25.00 C ATOM 924 O TYR A 61 5.409 4.288 4.423 1.00 25.00 O ATOM 925 CB TYR A 61 3.698 1.907 4.751 1.00 25.00 C ATOM 926 CG TYR A 61 3.303 0.626 5.464 1.00 25.00 C ATOM 927 CD1 TYR A 61 1.948 0.315 5.697 1.00 25.00 C ATOM 928 CD2 TYR A 61 4.284 -0.293 5.901 1.00 25.00 C ATOM 929 CE1 TYR A 61 1.576 -0.873 6.359 1.00 25.00 C ATOM 930 CE2 TYR A 61 3.908 -1.496 6.569 1.00 25.00 C ATOM 931 CZ TYR A 61 2.552 -1.770 6.783 1.00 25.00 C ATOM 932 OH TYR A 61 2.141 -2.904 7.430 1.00 25.00 O ATOM 0 H TYR A 61 1.574 3.167 5.383 1.00 25.00 H new ATOM 0 HA TYR A 61 4.252 2.961 6.549 1.00 25.00 H new ATOM 0 HB2 TYR A 61 3.029 2.063 3.905 1.00 25.00 H new ATOM 0 HB3 TYR A 61 4.703 1.792 4.345 1.00 25.00 H new ATOM 0 HD1 TYR A 61 1.182 0.999 5.363 1.00 25.00 H new ATOM 0 HD2 TYR A 61 5.329 -0.082 5.727 1.00 25.00 H new ATOM 0 HE1 TYR A 61 0.533 -1.087 6.537 1.00 25.00 H new ATOM 0 HE2 TYR A 61 4.663 -2.190 6.907 1.00 25.00 H new ATOM 0 HH TYR A 61 2.922 -3.444 7.671 1.00 25.00 H new ATOM 942 N CYS A 62 3.506 5.421 4.787 1.00 25.00 N ATOM 943 CA CYS A 62 3.988 6.622 4.117 1.00 25.00 C ATOM 944 C CYS A 62 4.925 7.418 5.028 1.00 25.00 C ATOM 945 O CYS A 62 4.922 7.247 6.242 1.00 25.00 O ATOM 946 CB CYS A 62 2.816 7.465 3.643 1.00 25.00 C ATOM 947 SG CYS A 62 1.795 6.518 2.471 1.00 25.00 S ATOM 0 H CYS A 62 2.554 5.489 5.146 1.00 25.00 H new ATOM 0 HA CYS A 62 4.565 6.326 3.241 1.00 25.00 H new ATOM 0 HB2 CYS A 62 2.212 7.774 4.496 1.00 25.00 H new ATOM 0 HB3 CYS A 62 3.182 8.374 3.166 1.00 25.00 H new ATOM 952 N ALA A 63 5.763 8.250 4.423 1.00 25.00 N ATOM 953 CA ALA A 63 6.798 8.972 5.157 1.00 25.00 C ATOM 954 C ALA A 63 6.221 10.103 6.008 1.00 25.00 C ATOM 955 O ALA A 63 6.785 10.455 7.044 1.00 25.00 O ATOM 956 CB ALA A 63 7.840 9.520 4.180 1.00 25.00 C ATOM 0 H ALA A 63 5.747 8.443 3.422 1.00 25.00 H new ATOM 0 HA ALA A 63 7.272 8.267 5.840 1.00 25.00 H new ATOM 0 HB1 ALA A 63 8.610 10.058 4.733 1.00 25.00 H new ATOM 0 HB2 ALA A 63 8.296 8.694 3.633 1.00 25.00 H new ATOM 0 HB3 ALA A 63 7.358 10.199 3.477 1.00 25.00 H new ATOM 962 N THR A 64 5.097 10.662 5.581 1.00 25.00 N ATOM 963 CA THR A 64 4.410 11.683 6.366 1.00 25.00 C ATOM 964 C THR A 64 2.959 11.275 6.564 1.00 25.00 C ATOM 965 O THR A 64 2.403 10.521 5.765 1.00 25.00 O ATOM 966 CB THR A 64 4.475 13.081 5.715 1.00 25.00 C ATOM 967 OG1 THR A 64 4.030 13.018 4.360 1.00 25.00 O ATOM 968 CG2 THR A 64 5.888 13.615 5.735 1.00 25.00 C ATOM 0 H THR A 64 4.641 10.428 4.699 1.00 25.00 H new ATOM 0 HA THR A 64 4.921 11.755 7.326 1.00 25.00 H new ATOM 0 HB THR A 64 3.827 13.745 6.288 1.00 25.00 H new ATOM 0 HG1 THR A 64 4.672 12.502 3.829 1.00 25.00 H new ATOM 0 HG21 THR A 64 5.911 14.601 5.271 1.00 25.00 H new ATOM 0 HG22 THR A 64 6.234 13.691 6.766 1.00 25.00 H new ATOM 0 HG23 THR A 64 6.540 12.939 5.182 1.00 25.00 H new ATOM 976 N PRO A 65 2.341 11.723 7.672 1.00 25.00 N ATOM 977 CA PRO A 65 0.977 11.293 7.982 1.00 25.00 C ATOM 978 C PRO A 65 -0.103 12.120 7.304 1.00 25.00 C ATOM 979 O PRO A 65 0.163 13.150 6.674 1.00 25.00 O ATOM 980 CB PRO A 65 0.912 11.503 9.490 1.00 25.00 C ATOM 981 CG PRO A 65 1.707 12.721 9.691 1.00 25.00 C ATOM 982 CD PRO A 65 2.865 12.609 8.729 1.00 25.00 C ATOM 0 HA PRO A 65 0.791 10.276 7.636 1.00 25.00 H new ATOM 0 HB2 PRO A 65 -0.114 11.630 9.836 1.00 25.00 H new ATOM 0 HB3 PRO A 65 1.329 10.655 10.033 1.00 25.00 H new ATOM 0 HG2 PRO A 65 1.115 13.614 9.490 1.00 25.00 H new ATOM 0 HG3 PRO A 65 2.058 12.796 10.720 1.00 25.00 H new ATOM 0 HD2 PRO A 65 3.154 13.582 8.332 1.00 25.00 H new ATOM 0 HD3 PRO A 65 3.747 12.185 9.209 1.00 25.00 H new ATOM 990 N ALA A 66 -1.339 11.704 7.521 1.00 25.00 N ATOM 991 CA ALA A 66 -2.501 12.439 7.047 1.00 25.00 C ATOM 992 C ALA A 66 -2.679 13.682 7.929 1.00 25.00 C ATOM 993 O ALA A 66 -3.172 13.597 9.055 1.00 25.00 O ATOM 994 CB ALA A 66 -3.747 11.546 7.108 1.00 25.00 C ATOM 0 H ALA A 66 -1.566 10.849 8.029 1.00 25.00 H new ATOM 0 HA ALA A 66 -2.359 12.745 6.010 1.00 25.00 H new ATOM 0 HB1 ALA A 66 -4.613 12.104 6.751 1.00 25.00 H new ATOM 0 HB2 ALA A 66 -3.597 10.668 6.479 1.00 25.00 H new ATOM 0 HB3 ALA A 66 -3.918 11.230 8.137 1.00 25.00 H new ATOM 1000 N LYS A 67 -2.248 14.833 7.431 1.00 25.00 N ATOM 1001 CA LYS A 67 -2.337 16.084 8.188 1.00 25.00 C ATOM 1002 C LYS A 67 -3.740 16.676 8.110 1.00 25.00 C ATOM 1003 O LYS A 67 -3.972 17.649 7.399 1.00 25.00 O ATOM 1004 CB LYS A 67 -1.327 17.109 7.664 1.00 25.00 C ATOM 1005 CG LYS A 67 0.138 16.708 7.876 1.00 25.00 C ATOM 1006 CD LYS A 67 1.094 17.810 7.401 1.00 25.00 C ATOM 1007 CE LYS A 67 1.078 19.025 8.342 1.00 25.00 C ATOM 1008 NZ LYS A 67 1.909 20.159 7.818 1.00 25.00 N ATOM 0 H LYS A 67 -1.832 14.931 6.505 1.00 25.00 H new ATOM 0 HA LYS A 67 -2.109 15.851 9.228 1.00 25.00 H new ATOM 0 HB2 LYS A 67 -1.500 17.262 6.599 1.00 25.00 H new ATOM 0 HB3 LYS A 67 -1.506 18.065 8.157 1.00 25.00 H new ATOM 0 HG2 LYS A 67 0.312 16.504 8.933 1.00 25.00 H new ATOM 0 HG3 LYS A 67 0.346 15.785 7.335 1.00 25.00 H new ATOM 0 HD2 LYS A 67 2.107 17.411 7.340 1.00 25.00 H new ATOM 0 HD3 LYS A 67 0.814 18.125 6.396 1.00 25.00 H new ATOM 0 HE2 LYS A 67 0.051 19.363 8.479 1.00 25.00 H new ATOM 0 HE3 LYS A 67 1.449 18.728 9.323 1.00 25.00 H new ATOM 0 HZ1 LYS A 67 1.869 20.956 8.485 1.00 25.00 H new ATOM 0 HZ2 LYS A 67 2.895 19.846 7.711 1.00 25.00 H new ATOM 0 HZ3 LYS A 67 1.540 20.462 6.894 1.00 25.00 H new ATOM 1022 N SER A 68 -4.667 16.094 8.856 1.00 25.00 N ATOM 1023 CA SER A 68 -6.047 16.582 8.911 1.00 25.00 C ATOM 1024 C SER A 68 -6.146 17.819 9.808 1.00 25.00 C ATOM 1025 O SER A 68 -6.615 17.763 10.940 1.00 25.00 O ATOM 1026 CB SER A 68 -6.972 15.479 9.436 1.00 25.00 C ATOM 1027 OG SER A 68 -8.317 15.921 9.475 1.00 25.00 O ATOM 0 H SER A 68 -4.491 15.275 9.439 1.00 25.00 H new ATOM 0 HA SER A 68 -6.357 16.859 7.903 1.00 25.00 H new ATOM 0 HB2 SER A 68 -6.893 14.599 8.798 1.00 25.00 H new ATOM 0 HB3 SER A 68 -6.655 15.178 10.435 1.00 25.00 H new ATOM 0 HG SER A 68 -8.889 15.200 9.812 1.00 25.00 H new ATOM 1033 N GLU A 69 -5.661 18.950 9.290 1.00 25.00 N ATOM 1034 CA GLU A 69 -5.641 20.244 9.990 1.00 25.00 C ATOM 1035 C GLU A 69 -5.631 21.433 9.020 1.00 25.00 C ATOM 1036 O GLU A 69 -5.047 21.205 7.885 1.00 25.00 O ATOM 1037 CB GLU A 69 -4.480 20.332 11.026 1.00 25.00 C ATOM 1038 CG GLU A 69 -3.072 20.035 10.428 1.00 25.00 C ATOM 1039 CD GLU A 69 -2.457 21.195 9.667 1.00 25.00 C ATOM 1040 OE1 GLU A 69 -1.575 21.068 8.845 1.00 25.00 O ATOM 1041 OE2 GLU A 69 -2.883 22.360 10.022 1.00 25.00 O ATOM 0 H GLU A 69 -5.262 18.996 8.352 1.00 25.00 H new ATOM 0 HA GLU A 69 -6.574 20.305 10.550 1.00 25.00 H new ATOM 0 HB2 GLU A 69 -4.474 21.330 11.465 1.00 25.00 H new ATOM 0 HB3 GLU A 69 -4.675 19.629 11.835 1.00 25.00 H new ATOM 0 HG2 GLU A 69 -2.400 19.750 11.237 1.00 25.00 H new ATOM 0 HG3 GLU A 69 -3.148 19.177 9.760 1.00 25.00 H new TER 1048 GLU A 69