USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 602 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 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 44 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 26 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.059) USER MOD Set 2.2: A 30 MET CE :methyl -163:sc= 0 (180deg=-0.539) USER MOD Set 3.1: A 16 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 94:sc= -4.65! USER MOD Single : A 15 CYS SG : rot 41:sc= -0.0684 USER MOD Single : A 32 GLN : amide:sc= -0.671 K(o=-0.67,f=-1.9) USER MOD Single : A 34 CYS SG : rot -26:sc= -8.01! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= 0.964 K(o=0.96,f=-4!) USER MOD Single : A 58 GLN : amide:sc= -1.15 K(o=-1.1,f=-4.6!) USER MOD Single : A 73 GLN : amide:sc= -0.0547 K(o=-0.055,f=-0.6) USER MOD Single : A 75 CYS SG : rot 60:sc= -1.93 USER MOD Single : A 81 THR OG1 : rot -139:sc= -1.16 USER MOD Single : A 88 SER OG : rot 88:sc= 0.521 USER MOD Single : A 92 TYR OH : rot 11:sc= 0.0715 USER MOD Single : A 93 GLN : amide:sc= -0.154 K(o=-0.15,f=-5.6!) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.99 K(o=-0.99,f=-2!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 116:sc= 0.0519 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 6 -11.934 -16.892 -5.958 1.00 0.00 N ATOM 75 CA LYS A 6 -11.189 -15.661 -5.721 1.00 0.00 C ATOM 76 C LYS A 6 -9.711 -15.859 -6.048 1.00 0.00 C ATOM 77 O LYS A 6 -9.111 -16.865 -5.668 1.00 0.00 O ATOM 78 CB LYS A 6 -11.350 -15.202 -4.267 1.00 0.00 C ATOM 79 CG LYS A 6 -12.684 -15.581 -3.639 1.00 0.00 C ATOM 80 CD LYS A 6 -13.806 -14.681 -4.131 1.00 0.00 C ATOM 81 CE LYS A 6 -15.066 -14.854 -3.299 1.00 0.00 C ATOM 82 NZ LYS A 6 -15.227 -13.763 -2.300 1.00 0.00 N ATOM 0 HA LYS A 6 -11.592 -14.889 -6.376 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.545 -15.631 -3.671 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.235 -14.119 -4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.918 -16.619 -3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.609 -15.512 -2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.483 -13.641 -4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.024 -14.908 -5.175 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.935 -14.875 -3.957 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -15.032 -15.815 -2.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -16.098 -13.918 -1.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.410 -13.759 -1.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -15.285 -12.848 -2.791 1.00 0.00 H new ATOM 96 N ILE A 7 -9.131 -14.901 -6.766 1.00 0.00 N ATOM 97 CA ILE A 7 -7.727 -14.978 -7.156 1.00 0.00 C ATOM 98 C ILE A 7 -6.793 -14.644 -5.998 1.00 0.00 C ATOM 99 O ILE A 7 -5.634 -15.056 -5.989 1.00 0.00 O ATOM 100 CB ILE A 7 -7.412 -14.030 -8.323 1.00 0.00 C ATOM 101 CG1 ILE A 7 -7.906 -12.614 -8.014 1.00 0.00 C ATOM 102 CG2 ILE A 7 -8.033 -14.551 -9.611 1.00 0.00 C ATOM 103 CD1 ILE A 7 -6.804 -11.578 -8.014 1.00 0.00 C ATOM 0 H ILE A 7 -9.612 -14.062 -7.090 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.559 -16.009 -7.466 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.331 -13.990 -8.456 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.659 -12.332 -8.750 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.395 -12.613 -7.040 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.801 -13.869 -10.429 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.629 -15.538 -9.836 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.114 -14.620 -9.492 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.225 -10.599 -7.788 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.062 -11.837 -7.259 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.330 -11.551 -8.995 1.00 0.00 H new ATOM 115 N PHE A 8 -7.296 -13.894 -5.027 1.00 0.00 N ATOM 116 CA PHE A 8 -6.492 -13.511 -3.876 1.00 0.00 C ATOM 117 C PHE A 8 -6.686 -14.502 -2.734 1.00 0.00 C ATOM 118 O PHE A 8 -5.716 -15.019 -2.179 1.00 0.00 O ATOM 119 CB PHE A 8 -6.859 -12.096 -3.413 1.00 0.00 C ATOM 120 CG PHE A 8 -6.400 -10.995 -4.337 1.00 0.00 C ATOM 121 CD1 PHE A 8 -5.284 -11.155 -5.146 1.00 0.00 C ATOM 122 CD2 PHE A 8 -7.088 -9.792 -4.388 1.00 0.00 C ATOM 123 CE1 PHE A 8 -4.867 -10.138 -5.986 1.00 0.00 C ATOM 124 CE2 PHE A 8 -6.676 -8.773 -5.224 1.00 0.00 C ATOM 125 CZ PHE A 8 -5.565 -8.946 -6.025 1.00 0.00 C ATOM 0 H PHE A 8 -8.253 -13.540 -5.013 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.443 -13.522 -4.173 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.942 -12.033 -3.303 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.428 -11.927 -2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.735 -12.084 -5.120 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.959 -9.650 -3.765 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.997 -10.276 -6.611 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.222 -7.842 -5.251 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.242 -8.151 -6.681 1.00 0.00 H new ATOM 135 N ARG A 9 -7.946 -14.769 -2.398 1.00 0.00 N ATOM 136 CA ARG A 9 -8.284 -15.708 -1.326 1.00 0.00 C ATOM 137 C ARG A 9 -7.349 -15.547 -0.130 1.00 0.00 C ATOM 138 O ARG A 9 -6.332 -16.232 -0.027 1.00 0.00 O ATOM 139 CB ARG A 9 -8.223 -17.145 -1.845 1.00 0.00 C ATOM 140 CG ARG A 9 -8.819 -18.164 -0.888 1.00 0.00 C ATOM 141 CD ARG A 9 -7.738 -18.982 -0.197 1.00 0.00 C ATOM 142 NE ARG A 9 -8.124 -20.383 -0.048 1.00 0.00 N ATOM 143 CZ ARG A 9 -7.314 -21.330 0.420 1.00 0.00 C ATOM 144 NH1 ARG A 9 -6.073 -21.030 0.786 1.00 0.00 N ATOM 145 NH2 ARG A 9 -7.744 -22.580 0.522 1.00 0.00 N ATOM 0 H ARG A 9 -8.755 -14.347 -2.854 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.299 -15.486 -0.995 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.751 -17.201 -2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.183 -17.408 -2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -9.423 -17.651 -0.139 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.487 -18.830 -1.434 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.813 -18.920 -0.771 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.533 -18.556 0.785 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.070 -20.651 -0.319 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.737 -20.070 0.709 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.456 -21.759 1.144 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.696 -22.816 0.242 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.123 -23.305 0.881 1.00 0.00 H new ATOM 159 N GLY A 10 -7.697 -14.632 0.768 1.00 0.00 N ATOM 160 CA GLY A 10 -6.873 -14.393 1.938 1.00 0.00 C ATOM 161 C GLY A 10 -5.807 -13.353 1.672 1.00 0.00 C ATOM 162 O GLY A 10 -4.633 -13.682 1.498 1.00 0.00 O ATOM 0 H GLY A 10 -8.534 -14.052 0.707 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.503 -14.065 2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.402 -15.326 2.247 1.00 0.00 H new ATOM 166 N LEU A 11 -6.223 -12.095 1.623 1.00 0.00 N ATOM 167 CA LEU A 11 -5.306 -10.996 1.357 1.00 0.00 C ATOM 168 C LEU A 11 -5.761 -9.718 2.049 1.00 0.00 C ATOM 169 O LEU A 11 -6.916 -9.595 2.454 1.00 0.00 O ATOM 170 CB LEU A 11 -5.198 -10.757 -0.149 1.00 0.00 C ATOM 171 CG LEU A 11 -3.826 -11.048 -0.753 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.974 -11.789 -2.069 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.054 -9.757 -0.956 1.00 0.00 C ATOM 0 H LEU A 11 -7.192 -11.810 1.764 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.328 -11.270 1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.939 -11.377 -0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.456 -9.719 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.269 -11.680 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.987 -11.989 -2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.494 -12.732 -1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.547 -11.179 -2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.078 -9.981 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.608 -9.104 -1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.921 -9.258 0.004 1.00 0.00 H new ATOM 185 N GLU A 12 -4.844 -8.767 2.177 1.00 0.00 N ATOM 186 CA GLU A 12 -5.151 -7.493 2.809 1.00 0.00 C ATOM 187 C GLU A 12 -4.507 -6.345 2.039 1.00 0.00 C ATOM 188 O GLU A 12 -3.288 -6.191 2.045 1.00 0.00 O ATOM 189 CB GLU A 12 -4.669 -7.493 4.260 1.00 0.00 C ATOM 190 CG GLU A 12 -5.588 -8.253 5.203 1.00 0.00 C ATOM 191 CD GLU A 12 -5.852 -7.503 6.493 1.00 0.00 C ATOM 192 OE1 GLU A 12 -4.960 -7.495 7.368 1.00 0.00 O ATOM 193 OE2 GLU A 12 -6.948 -6.923 6.629 1.00 0.00 O ATOM 0 H GLU A 12 -3.882 -8.855 1.851 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.232 -7.353 2.798 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.672 -7.932 4.304 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.579 -6.463 4.605 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.535 -8.449 4.701 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.144 -9.221 5.435 1.00 0.00 H new ATOM 200 N ILE A 13 -5.334 -5.547 1.370 1.00 0.00 N ATOM 201 CA ILE A 13 -4.838 -4.419 0.589 1.00 0.00 C ATOM 202 C ILE A 13 -5.496 -3.113 1.019 1.00 0.00 C ATOM 203 O ILE A 13 -6.702 -3.065 1.263 1.00 0.00 O ATOM 204 CB ILE A 13 -5.084 -4.631 -0.918 1.00 0.00 C ATOM 205 CG1 ILE A 13 -4.564 -6.004 -1.356 1.00 0.00 C ATOM 206 CG2 ILE A 13 -4.420 -3.524 -1.726 1.00 0.00 C ATOM 207 CD1 ILE A 13 -5.633 -6.891 -1.955 1.00 0.00 C ATOM 0 H ILE A 13 -6.348 -5.660 1.353 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.766 -4.357 0.773 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.158 -4.595 -1.103 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.767 -5.866 -2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.124 -6.509 -0.496 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.603 -3.689 -2.788 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.834 -2.560 -1.431 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.346 -3.530 -1.538 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.194 -7.846 -2.242 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.420 -7.060 -1.220 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.056 -6.407 -2.835 1.00 0.00 H new ATOM 219 N CYS A 14 -4.696 -2.054 1.109 1.00 0.00 N ATOM 220 CA CYS A 14 -5.204 -0.747 1.509 1.00 0.00 C ATOM 221 C CYS A 14 -4.830 0.325 0.492 1.00 0.00 C ATOM 222 O CYS A 14 -3.752 0.287 -0.100 1.00 0.00 O ATOM 223 CB CYS A 14 -4.664 -0.363 2.885 1.00 0.00 C ATOM 224 SG CYS A 14 -2.865 -0.208 2.956 1.00 0.00 S ATOM 0 H CYS A 14 -3.696 -2.076 0.911 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.291 -0.814 1.556 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.112 0.584 3.188 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.982 -1.112 3.610 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.528 1.032 2.759 1.00 0.00 H new ATOM 230 N CYS A 15 -5.733 1.282 0.299 1.00 0.00 N ATOM 231 CA CYS A 15 -5.507 2.372 -0.642 1.00 0.00 C ATOM 232 C CYS A 15 -5.000 3.616 0.082 1.00 0.00 C ATOM 233 O CYS A 15 -5.766 4.315 0.745 1.00 0.00 O ATOM 234 CB CYS A 15 -6.798 2.698 -1.394 1.00 0.00 C ATOM 235 SG CYS A 15 -8.214 3.026 -0.318 1.00 0.00 S ATOM 0 H CYS A 15 -6.630 1.324 0.783 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.748 2.053 -1.357 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -6.627 3.568 -2.028 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -7.042 1.866 -2.054 1.00 0.00 H new ATOM 0 HG CYS A 15 -7.830 3.739 0.699 1.00 0.00 H new ATOM 241 N TYR A 16 -3.706 3.885 -0.050 1.00 0.00 N ATOM 242 CA TYR A 16 -3.098 5.044 0.595 1.00 0.00 C ATOM 243 C TYR A 16 -3.065 6.238 -0.355 1.00 0.00 C ATOM 244 O TYR A 16 -2.224 6.307 -1.252 1.00 0.00 O ATOM 245 CB TYR A 16 -1.681 4.708 1.066 1.00 0.00 C ATOM 246 CG TYR A 16 -1.374 5.202 2.462 1.00 0.00 C ATOM 247 CD1 TYR A 16 -1.829 4.514 3.580 1.00 0.00 C ATOM 248 CD2 TYR A 16 -0.631 6.359 2.661 1.00 0.00 C ATOM 249 CE1 TYR A 16 -1.548 4.963 4.857 1.00 0.00 C ATOM 250 CE2 TYR A 16 -0.347 6.814 3.935 1.00 0.00 C ATOM 251 CZ TYR A 16 -0.808 6.113 5.028 1.00 0.00 C ATOM 252 OH TYR A 16 -0.528 6.563 6.298 1.00 0.00 O ATOM 0 H TYR A 16 -3.058 3.318 -0.597 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.705 5.309 1.461 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.543 3.627 1.034 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.963 5.142 0.370 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.412 3.614 3.449 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.269 6.912 1.807 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -1.907 4.415 5.716 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.233 7.714 4.073 1.00 0.00 H new ATOM 0 HH TYR A 16 0.003 7.385 6.244 1.00 0.00 H new ATOM 262 N GLY A 17 -3.984 7.176 -0.151 1.00 0.00 N ATOM 263 CA GLY A 17 -4.043 8.354 -0.996 1.00 0.00 C ATOM 264 C GLY A 17 -5.282 8.380 -1.871 1.00 0.00 C ATOM 265 O GLY A 17 -5.933 7.352 -2.056 1.00 0.00 O ATOM 0 H GLY A 17 -4.689 7.141 0.585 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.025 9.247 -0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.155 8.389 -1.628 1.00 0.00 H new ATOM 269 N PRO A 18 -5.639 9.553 -2.423 1.00 0.00 N ATOM 270 CA PRO A 18 -6.815 9.699 -3.280 1.00 0.00 C ATOM 271 C PRO A 18 -6.541 9.311 -4.733 1.00 0.00 C ATOM 272 O PRO A 18 -7.445 9.332 -5.569 1.00 0.00 O ATOM 273 CB PRO A 18 -7.116 11.191 -3.176 1.00 0.00 C ATOM 274 CG PRO A 18 -5.779 11.828 -2.996 1.00 0.00 C ATOM 275 CD PRO A 18 -4.925 10.832 -2.250 1.00 0.00 C ATOM 0 HA PRO A 18 -7.634 9.049 -2.971 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.614 11.559 -4.073 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.775 11.406 -2.335 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.334 12.075 -3.960 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.866 12.760 -2.437 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.916 10.785 -2.660 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.830 11.097 -1.197 1.00 0.00 H new ATOM 283 N PHE A 19 -5.291 8.957 -5.028 1.00 0.00 N ATOM 284 CA PHE A 19 -4.903 8.567 -6.380 1.00 0.00 C ATOM 285 C PHE A 19 -5.079 9.726 -7.356 1.00 0.00 C ATOM 286 O PHE A 19 -4.119 10.425 -7.682 1.00 0.00 O ATOM 287 CB PHE A 19 -5.716 7.353 -6.842 1.00 0.00 C ATOM 288 CG PHE A 19 -5.387 6.095 -6.091 1.00 0.00 C ATOM 289 CD1 PHE A 19 -5.589 6.020 -4.723 1.00 0.00 C ATOM 290 CD2 PHE A 19 -4.872 4.989 -6.750 1.00 0.00 C ATOM 291 CE1 PHE A 19 -5.286 4.868 -4.025 1.00 0.00 C ATOM 292 CE2 PHE A 19 -4.566 3.833 -6.057 1.00 0.00 C ATOM 293 CZ PHE A 19 -4.773 3.773 -4.692 1.00 0.00 C ATOM 0 H PHE A 19 -4.531 8.933 -4.348 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.848 8.295 -6.363 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.778 7.570 -6.725 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.539 7.190 -7.905 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.989 6.873 -4.195 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.708 5.031 -7.817 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.450 4.823 -2.958 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.166 2.978 -6.581 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.534 2.871 -4.148 1.00 0.00 H new ATOM 376 N ASP A 25 -12.701 3.680 -2.207 1.00 0.00 N ATOM 377 CA ASP A 25 -13.669 2.613 -1.991 1.00 0.00 C ATOM 378 C ASP A 25 -13.809 1.759 -3.242 1.00 0.00 C ATOM 379 O ASP A 25 -14.137 0.574 -3.169 1.00 0.00 O ATOM 380 CB ASP A 25 -15.028 3.197 -1.600 1.00 0.00 C ATOM 381 CG ASP A 25 -15.013 3.823 -0.219 1.00 0.00 C ATOM 382 OD1 ASP A 25 -14.591 3.139 0.738 1.00 0.00 O ATOM 383 OD2 ASP A 25 -15.420 4.997 -0.095 1.00 0.00 O ATOM 0 HA ASP A 25 -13.309 1.984 -1.177 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -15.322 3.948 -2.333 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -15.781 2.410 -1.631 1.00 0.00 H new ATOM 388 N GLN A 26 -13.551 2.371 -4.389 1.00 0.00 N ATOM 389 CA GLN A 26 -13.638 1.678 -5.662 1.00 0.00 C ATOM 390 C GLN A 26 -12.465 0.722 -5.832 1.00 0.00 C ATOM 391 O GLN A 26 -12.606 -0.352 -6.416 1.00 0.00 O ATOM 392 CB GLN A 26 -13.666 2.693 -6.803 1.00 0.00 C ATOM 393 CG GLN A 26 -14.643 2.341 -7.909 1.00 0.00 C ATOM 394 CD GLN A 26 -14.173 2.804 -9.274 1.00 0.00 C ATOM 395 OE1 GLN A 26 -14.897 3.494 -9.991 1.00 0.00 O ATOM 396 NE2 GLN A 26 -12.954 2.427 -9.639 1.00 0.00 N ATOM 0 H GLN A 26 -13.279 3.351 -4.462 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.559 1.095 -5.682 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -13.925 3.672 -6.400 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -12.666 2.777 -7.227 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -14.791 1.261 -7.927 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.611 2.792 -7.690 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -12.388 1.855 -9.012 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.583 2.710 -10.546 1.00 0.00 H new ATOM 405 N LEU A 27 -11.310 1.118 -5.309 1.00 0.00 N ATOM 406 CA LEU A 27 -10.115 0.289 -5.395 1.00 0.00 C ATOM 407 C LEU A 27 -10.225 -0.898 -4.449 1.00 0.00 C ATOM 408 O LEU A 27 -9.984 -2.039 -4.841 1.00 0.00 O ATOM 409 CB LEU A 27 -8.869 1.112 -5.064 1.00 0.00 C ATOM 410 CG LEU A 27 -7.545 0.353 -5.170 1.00 0.00 C ATOM 411 CD1 LEU A 27 -7.240 0.012 -6.619 1.00 0.00 C ATOM 412 CD2 LEU A 27 -6.414 1.169 -4.561 1.00 0.00 C ATOM 0 H LEU A 27 -11.177 2.005 -4.823 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.026 -0.083 -6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.832 1.972 -5.733 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.967 1.501 -4.050 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.635 -0.579 -4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.295 -0.528 -6.675 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.038 -0.612 -7.022 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.168 0.930 -7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.479 0.615 -4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.322 2.117 -5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.629 1.361 -3.510 1.00 0.00 H new ATOM 424 N GLU A 28 -10.602 -0.626 -3.204 1.00 0.00 N ATOM 425 CA GLU A 28 -10.754 -1.683 -2.215 1.00 0.00 C ATOM 426 C GLU A 28 -11.847 -2.658 -2.639 1.00 0.00 C ATOM 427 O GLU A 28 -11.820 -3.834 -2.277 1.00 0.00 O ATOM 428 CB GLU A 28 -11.072 -1.105 -0.838 1.00 0.00 C ATOM 429 CG GLU A 28 -9.937 -0.289 -0.239 1.00 0.00 C ATOM 430 CD GLU A 28 -10.009 -0.204 1.272 1.00 0.00 C ATOM 431 OE1 GLU A 28 -11.133 -0.127 1.810 1.00 0.00 O ATOM 432 OE2 GLU A 28 -8.940 -0.217 1.919 1.00 0.00 O ATOM 0 H GLU A 28 -10.806 0.312 -2.859 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.807 -2.220 -2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.959 -0.476 -0.914 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.318 -1.922 -0.159 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.984 -0.733 -0.528 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.960 0.718 -0.656 1.00 0.00 H new ATOM 439 N TRP A 29 -12.809 -2.169 -3.414 1.00 0.00 N ATOM 440 CA TRP A 29 -13.891 -3.016 -3.890 1.00 0.00 C ATOM 441 C TRP A 29 -13.338 -4.082 -4.826 1.00 0.00 C ATOM 442 O TRP A 29 -13.627 -5.269 -4.680 1.00 0.00 O ATOM 443 CB TRP A 29 -14.950 -2.170 -4.608 1.00 0.00 C ATOM 444 CG TRP A 29 -15.778 -2.945 -5.590 1.00 0.00 C ATOM 445 CD1 TRP A 29 -16.669 -3.934 -5.300 1.00 0.00 C ATOM 446 CD2 TRP A 29 -15.783 -2.802 -7.015 1.00 0.00 C ATOM 447 NE1 TRP A 29 -17.236 -4.412 -6.456 1.00 0.00 N ATOM 448 CE2 TRP A 29 -16.709 -3.733 -7.523 1.00 0.00 C ATOM 449 CE3 TRP A 29 -15.098 -1.977 -7.912 1.00 0.00 C ATOM 450 CZ2 TRP A 29 -16.967 -3.861 -8.886 1.00 0.00 C ATOM 451 CZ3 TRP A 29 -15.355 -2.104 -9.264 1.00 0.00 C ATOM 452 CH2 TRP A 29 -16.282 -3.039 -9.739 1.00 0.00 C ATOM 0 H TRP A 29 -12.860 -1.198 -3.723 1.00 0.00 H new ATOM 0 HA TRP A 29 -14.361 -3.506 -3.037 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -15.609 -1.722 -3.865 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -14.455 -1.351 -5.130 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -16.896 -4.290 -4.306 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -17.936 -5.152 -6.511 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -14.381 -1.253 -7.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -17.681 -4.582 -9.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -14.832 -1.471 -9.966 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -16.460 -3.113 -10.802 1.00 0.00 H new ATOM 463 N MET A 30 -12.537 -3.638 -5.782 1.00 0.00 N ATOM 464 CA MET A 30 -11.924 -4.537 -6.751 1.00 0.00 C ATOM 465 C MET A 30 -11.187 -5.672 -6.048 1.00 0.00 C ATOM 466 O MET A 30 -11.414 -6.846 -6.342 1.00 0.00 O ATOM 467 CB MET A 30 -10.961 -3.764 -7.651 1.00 0.00 C ATOM 468 CG MET A 30 -11.597 -2.563 -8.333 1.00 0.00 C ATOM 469 SD MET A 30 -10.958 -2.293 -9.998 1.00 0.00 S ATOM 470 CE MET A 30 -11.363 -0.566 -10.241 1.00 0.00 C ATOM 0 H MET A 30 -12.294 -2.655 -5.909 1.00 0.00 H new ATOM 0 HA MET A 30 -12.715 -4.969 -7.364 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.113 -3.426 -7.056 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.568 -4.438 -8.412 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.676 -2.706 -8.381 1.00 0.00 H new ATOM 0 HG3 MET A 30 -11.420 -1.672 -7.731 1.00 0.00 H new ATOM 0 HE1 MET A 30 -11.314 -0.327 -11.303 1.00 0.00 H new ATOM 0 HE2 MET A 30 -12.370 -0.373 -9.871 1.00 0.00 H new ATOM 0 HE3 MET A 30 -10.652 0.055 -9.696 1.00 0.00 H new ATOM 480 N VAL A 31 -10.307 -5.319 -5.113 1.00 0.00 N ATOM 481 CA VAL A 31 -9.551 -6.322 -4.371 1.00 0.00 C ATOM 482 C VAL A 31 -10.492 -7.266 -3.634 1.00 0.00 C ATOM 483 O VAL A 31 -10.332 -8.485 -3.685 1.00 0.00 O ATOM 484 CB VAL A 31 -8.577 -5.684 -3.358 1.00 0.00 C ATOM 485 CG1 VAL A 31 -7.542 -4.826 -4.068 1.00 0.00 C ATOM 486 CG2 VAL A 31 -9.316 -4.860 -2.322 1.00 0.00 C ATOM 0 H VAL A 31 -10.102 -4.354 -4.854 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.966 -6.879 -5.103 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.065 -6.497 -2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.867 -4.387 -3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.971 -5.444 -4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.045 -4.031 -4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.600 -4.425 -1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.869 -4.063 -2.818 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.011 -5.499 -1.777 1.00 0.00 H new ATOM 496 N GLN A 32 -11.483 -6.692 -2.958 1.00 0.00 N ATOM 497 CA GLN A 32 -12.462 -7.482 -2.220 1.00 0.00 C ATOM 498 C GLN A 32 -13.167 -8.455 -3.157 1.00 0.00 C ATOM 499 O GLN A 32 -13.507 -9.574 -2.773 1.00 0.00 O ATOM 500 CB GLN A 32 -13.487 -6.565 -1.548 1.00 0.00 C ATOM 501 CG GLN A 32 -14.112 -7.163 -0.298 1.00 0.00 C ATOM 502 CD GLN A 32 -14.687 -6.110 0.629 1.00 0.00 C ATOM 503 OE1 GLN A 32 -14.910 -4.967 0.226 1.00 0.00 O ATOM 504 NE2 GLN A 32 -14.931 -6.489 1.877 1.00 0.00 N ATOM 0 H GLN A 32 -11.629 -5.684 -2.906 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.941 -8.050 -1.449 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -13.004 -5.623 -1.287 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -14.276 -6.331 -2.262 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -14.901 -7.857 -0.588 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -13.360 -7.742 0.238 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -14.731 -7.446 2.168 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -15.319 -5.823 2.546 1.00 0.00 H new ATOM 513 N LEU A 33 -13.368 -8.015 -4.395 1.00 0.00 N ATOM 514 CA LEU A 33 -14.018 -8.833 -5.410 1.00 0.00 C ATOM 515 C LEU A 33 -13.115 -9.990 -5.836 1.00 0.00 C ATOM 516 O LEU A 33 -13.587 -10.994 -6.371 1.00 0.00 O ATOM 517 CB LEU A 33 -14.376 -7.972 -6.624 1.00 0.00 C ATOM 518 CG LEU A 33 -15.242 -8.662 -7.678 1.00 0.00 C ATOM 519 CD1 LEU A 33 -16.528 -9.187 -7.053 1.00 0.00 C ATOM 520 CD2 LEU A 33 -15.551 -7.705 -8.819 1.00 0.00 C ATOM 0 H LEU A 33 -13.087 -7.090 -4.720 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.931 -9.250 -4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.897 -7.080 -6.276 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -13.453 -7.638 -7.097 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.688 -9.510 -8.081 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.132 -9.675 -7.818 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.285 -9.905 -6.270 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -17.089 -8.357 -6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -16.168 -8.211 -9.561 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -16.086 -6.838 -8.432 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.620 -7.379 -9.283 1.00 0.00 H new ATOM 532 N CYS A 34 -11.814 -9.836 -5.603 1.00 0.00 N ATOM 533 CA CYS A 34 -10.839 -10.859 -5.968 1.00 0.00 C ATOM 534 C CYS A 34 -10.551 -11.809 -4.805 1.00 0.00 C ATOM 535 O CYS A 34 -9.797 -12.770 -4.957 1.00 0.00 O ATOM 536 CB CYS A 34 -9.539 -10.202 -6.435 1.00 0.00 C ATOM 537 SG CYS A 34 -9.479 -9.860 -8.208 1.00 0.00 S ATOM 0 H CYS A 34 -11.410 -9.010 -5.162 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.266 -11.446 -6.781 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.401 -9.268 -5.891 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -8.703 -10.850 -6.173 1.00 0.00 H new ATOM 0 HG CYS A 34 -10.252 -10.695 -8.837 1.00 0.00 H new ATOM 543 N GLY A 35 -11.151 -11.540 -3.645 1.00 0.00 N ATOM 544 CA GLY A 35 -10.939 -12.390 -2.486 1.00 0.00 C ATOM 545 C GLY A 35 -10.246 -11.666 -1.348 1.00 0.00 C ATOM 546 O GLY A 35 -10.524 -11.927 -0.177 1.00 0.00 O ATOM 0 H GLY A 35 -11.778 -10.751 -3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.900 -12.769 -2.138 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.342 -13.254 -2.778 1.00 0.00 H new ATOM 550 N ALA A 36 -9.341 -10.759 -1.692 1.00 0.00 N ATOM 551 CA ALA A 36 -8.601 -9.996 -0.695 1.00 0.00 C ATOM 552 C ALA A 36 -9.540 -9.253 0.250 1.00 0.00 C ATOM 553 O ALA A 36 -10.743 -9.170 0.008 1.00 0.00 O ATOM 554 CB ALA A 36 -7.657 -9.017 -1.377 1.00 0.00 C ATOM 0 H ALA A 36 -9.101 -10.533 -2.657 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.018 -10.700 -0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.110 -8.453 -0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.952 -9.566 -2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.232 -8.330 -1.998 1.00 0.00 H new ATOM 560 N SER A 37 -8.977 -8.712 1.324 1.00 0.00 N ATOM 561 CA SER A 37 -9.752 -7.969 2.308 1.00 0.00 C ATOM 562 C SER A 37 -9.334 -6.504 2.316 1.00 0.00 C ATOM 563 O SER A 37 -8.143 -6.189 2.304 1.00 0.00 O ATOM 564 CB SER A 37 -9.569 -8.578 3.701 1.00 0.00 C ATOM 565 OG SER A 37 -10.811 -8.996 4.242 1.00 0.00 O ATOM 0 H SER A 37 -7.981 -8.775 1.535 1.00 0.00 H new ATOM 0 HA SER A 37 -10.806 -8.030 2.036 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.889 -9.428 3.643 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.108 -7.846 4.364 1.00 0.00 H new ATOM 0 HG SER A 37 -10.667 -9.383 5.131 1.00 0.00 H new ATOM 571 N VAL A 38 -10.316 -5.610 2.331 1.00 0.00 N ATOM 572 CA VAL A 38 -10.039 -4.180 2.330 1.00 0.00 C ATOM 573 C VAL A 38 -9.486 -3.724 3.679 1.00 0.00 C ATOM 574 O VAL A 38 -10.091 -3.962 4.724 1.00 0.00 O ATOM 575 CB VAL A 38 -11.301 -3.360 1.973 1.00 0.00 C ATOM 576 CG1 VAL A 38 -12.059 -4.019 0.830 1.00 0.00 C ATOM 577 CG2 VAL A 38 -12.210 -3.181 3.181 1.00 0.00 C ATOM 0 H VAL A 38 -11.307 -5.850 2.344 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.284 -4.001 1.565 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.974 -2.370 1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.944 -3.429 0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.415 -4.078 -0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.362 -5.024 1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.087 -2.600 2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.526 -4.158 3.547 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.669 -2.656 3.969 1.00 0.00 H new ATOM 587 N VAL A 39 -8.328 -3.070 3.647 1.00 0.00 N ATOM 588 CA VAL A 39 -7.691 -2.582 4.863 1.00 0.00 C ATOM 589 C VAL A 39 -7.645 -1.057 4.871 1.00 0.00 C ATOM 590 O VAL A 39 -7.199 -0.434 3.907 1.00 0.00 O ATOM 591 CB VAL A 39 -6.263 -3.146 5.003 1.00 0.00 C ATOM 592 CG1 VAL A 39 -5.690 -2.829 6.373 1.00 0.00 C ATOM 593 CG2 VAL A 39 -6.256 -4.648 4.748 1.00 0.00 C ATOM 0 H VAL A 39 -7.813 -2.866 2.791 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.286 -2.924 5.710 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.631 -2.668 4.255 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.682 -3.237 6.449 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.656 -1.748 6.512 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.320 -3.274 7.143 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.240 -5.030 4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.905 -5.143 5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.618 -4.848 3.739 1.00 0.00 H new ATOM 603 N LYS A 40 -8.127 -0.460 5.957 1.00 0.00 N ATOM 604 CA LYS A 40 -8.162 0.994 6.079 1.00 0.00 C ATOM 605 C LYS A 40 -6.846 1.553 6.614 1.00 0.00 C ATOM 606 O LYS A 40 -6.438 2.655 6.247 1.00 0.00 O ATOM 607 CB LYS A 40 -9.316 1.421 6.990 1.00 0.00 C ATOM 608 CG LYS A 40 -9.253 0.813 8.382 1.00 0.00 C ATOM 609 CD LYS A 40 -10.115 -0.435 8.485 1.00 0.00 C ATOM 610 CE LYS A 40 -10.833 -0.506 9.823 1.00 0.00 C ATOM 611 NZ LYS A 40 -9.976 -1.110 10.881 1.00 0.00 N ATOM 0 H LYS A 40 -8.499 -0.960 6.765 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.315 1.401 5.080 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.315 2.507 7.077 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.260 1.139 6.523 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.220 0.564 8.625 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.585 1.547 9.116 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.847 -0.441 7.677 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.492 -1.320 8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.134 0.497 10.128 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.745 -1.093 9.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.502 -1.141 11.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.710 -2.076 10.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.117 -0.536 11.002 1.00 0.00 H new ATOM 625 N GLU A 41 -6.187 0.798 7.487 1.00 0.00 N ATOM 626 CA GLU A 41 -4.923 1.240 8.068 1.00 0.00 C ATOM 627 C GLU A 41 -3.802 0.249 7.778 1.00 0.00 C ATOM 628 O GLU A 41 -4.047 -0.935 7.550 1.00 0.00 O ATOM 629 CB GLU A 41 -5.067 1.430 9.580 1.00 0.00 C ATOM 630 CG GLU A 41 -6.382 2.074 9.995 1.00 0.00 C ATOM 631 CD GLU A 41 -6.182 3.366 10.763 1.00 0.00 C ATOM 632 OE1 GLU A 41 -5.275 3.412 11.621 1.00 0.00 O ATOM 633 OE2 GLU A 41 -6.933 4.331 10.508 1.00 0.00 O ATOM 0 H GLU A 41 -6.504 -0.117 7.807 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.665 2.194 7.608 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.978 0.460 10.069 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.242 2.045 9.940 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.981 2.273 9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.947 1.374 10.610 1.00 0.00 H new ATOM 640 N LEU A 42 -2.569 0.746 7.791 1.00 0.00 N ATOM 641 CA LEU A 42 -1.403 -0.090 7.535 1.00 0.00 C ATOM 642 C LEU A 42 -1.157 -1.042 8.700 1.00 0.00 C ATOM 643 O LEU A 42 -0.681 -2.162 8.512 1.00 0.00 O ATOM 644 CB LEU A 42 -0.166 0.780 7.298 1.00 0.00 C ATOM 645 CG LEU A 42 -0.366 1.945 6.327 1.00 0.00 C ATOM 646 CD1 LEU A 42 0.810 2.910 6.395 1.00 0.00 C ATOM 647 CD2 LEU A 42 -0.553 1.429 4.907 1.00 0.00 C ATOM 0 H LEU A 42 -2.352 1.725 7.977 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.596 -0.680 6.639 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.167 1.179 8.256 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.637 0.147 6.920 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.267 2.484 6.620 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.648 3.731 5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.898 3.306 7.407 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.728 2.385 6.130 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.694 2.271 4.229 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.330 0.865 4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.429 0.781 4.868 1.00 0.00 H new ATOM 659 N SER A 43 -1.487 -0.589 9.905 1.00 0.00 N ATOM 660 CA SER A 43 -1.305 -1.400 11.103 1.00 0.00 C ATOM 661 C SER A 43 -2.364 -2.497 11.189 1.00 0.00 C ATOM 662 O SER A 43 -2.176 -3.500 11.878 1.00 0.00 O ATOM 663 CB SER A 43 -1.362 -0.517 12.353 1.00 0.00 C ATOM 664 OG SER A 43 -0.188 -0.665 13.134 1.00 0.00 O ATOM 0 H SER A 43 -1.882 0.335 10.078 1.00 0.00 H new ATOM 0 HA SER A 43 -0.325 -1.875 11.045 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.479 0.526 12.060 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.235 -0.781 12.949 1.00 0.00 H new ATOM 0 HG SER A 43 -0.247 -0.090 13.926 1.00 0.00 H new ATOM 670 N SER A 44 -3.477 -2.303 10.485 1.00 0.00 N ATOM 671 CA SER A 44 -4.561 -3.279 10.487 1.00 0.00 C ATOM 672 C SER A 44 -4.091 -4.627 9.945 1.00 0.00 C ATOM 673 O SER A 44 -4.713 -5.657 10.202 1.00 0.00 O ATOM 674 CB SER A 44 -5.738 -2.762 9.656 1.00 0.00 C ATOM 675 OG SER A 44 -6.755 -2.230 10.488 1.00 0.00 O ATOM 0 H SER A 44 -3.651 -1.480 9.907 1.00 0.00 H new ATOM 0 HA SER A 44 -4.884 -3.421 11.518 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.390 -1.994 8.965 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.145 -3.573 9.052 1.00 0.00 H new ATOM 0 HG SER A 44 -7.495 -1.905 9.933 1.00 0.00 H new ATOM 681 N PHE A 45 -2.992 -4.614 9.194 1.00 0.00 N ATOM 682 CA PHE A 45 -2.447 -5.839 8.618 1.00 0.00 C ATOM 683 C PHE A 45 -2.147 -6.869 9.702 1.00 0.00 C ATOM 684 O PHE A 45 -1.126 -6.789 10.385 1.00 0.00 O ATOM 685 CB PHE A 45 -1.176 -5.532 7.824 1.00 0.00 C ATOM 686 CG PHE A 45 -1.428 -4.736 6.574 1.00 0.00 C ATOM 687 CD1 PHE A 45 -2.486 -5.052 5.739 1.00 0.00 C ATOM 688 CD2 PHE A 45 -0.607 -3.672 6.237 1.00 0.00 C ATOM 689 CE1 PHE A 45 -2.722 -4.321 4.589 1.00 0.00 C ATOM 690 CE2 PHE A 45 -0.837 -2.937 5.090 1.00 0.00 C ATOM 691 CZ PHE A 45 -1.896 -3.263 4.265 1.00 0.00 C ATOM 0 H PHE A 45 -2.463 -3.771 8.971 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.197 -6.257 7.946 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.483 -4.983 8.461 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.689 -6.470 7.556 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.134 -5.879 5.989 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.223 -3.414 6.879 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.551 -4.577 3.946 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.190 -2.109 4.839 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.078 -2.691 3.367 1.00 0.00 H new ATOM 762 N VAL A 51 -3.713 -14.210 5.873 1.00 0.00 N ATOM 763 CA VAL A 51 -3.864 -13.246 4.790 1.00 0.00 C ATOM 764 C VAL A 51 -2.540 -12.553 4.484 1.00 0.00 C ATOM 765 O VAL A 51 -1.721 -12.339 5.378 1.00 0.00 O ATOM 766 CB VAL A 51 -4.922 -12.180 5.131 1.00 0.00 C ATOM 767 CG1 VAL A 51 -6.299 -12.812 5.249 1.00 0.00 C ATOM 768 CG2 VAL A 51 -4.550 -11.451 6.414 1.00 0.00 C ATOM 0 HA VAL A 51 -4.191 -13.804 3.912 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.951 -11.451 4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.033 -12.043 5.490 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.565 -13.284 4.303 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.288 -13.563 6.038 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.309 -10.701 6.640 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.491 -12.166 7.235 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.584 -10.963 6.288 1.00 0.00 H new ATOM 778 N HIS A 52 -2.337 -12.203 3.219 1.00 0.00 N ATOM 779 CA HIS A 52 -1.112 -11.531 2.799 1.00 0.00 C ATOM 780 C HIS A 52 -1.298 -10.013 2.807 1.00 0.00 C ATOM 781 O HIS A 52 -2.229 -9.493 2.194 1.00 0.00 O ATOM 782 CB HIS A 52 -0.705 -11.998 1.399 1.00 0.00 C ATOM 783 CG HIS A 52 -0.761 -13.483 1.223 1.00 0.00 C ATOM 784 ND1 HIS A 52 -1.940 -14.175 1.044 1.00 0.00 N ATOM 785 CD2 HIS A 52 0.225 -14.411 1.195 1.00 0.00 C ATOM 786 CE1 HIS A 52 -1.677 -15.465 0.915 1.00 0.00 C ATOM 787 NE2 HIS A 52 -0.371 -15.633 1.002 1.00 0.00 N ATOM 0 H HIS A 52 -3.004 -12.373 2.466 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.322 -11.789 3.505 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.359 -11.529 0.664 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.308 -11.654 1.190 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.870 -13.757 1.015 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.283 -14.225 1.304 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -2.406 -16.247 0.764 1.00 0.00 H new ATOM 796 N PRO A 53 -0.414 -9.279 3.510 1.00 0.00 N ATOM 797 CA PRO A 53 -0.494 -7.818 3.597 1.00 0.00 C ATOM 798 C PRO A 53 0.020 -7.124 2.339 1.00 0.00 C ATOM 799 O PRO A 53 1.120 -7.409 1.867 1.00 0.00 O ATOM 800 CB PRO A 53 0.402 -7.495 4.789 1.00 0.00 C ATOM 801 CG PRO A 53 1.421 -8.580 4.796 1.00 0.00 C ATOM 802 CD PRO A 53 0.727 -9.813 4.281 1.00 0.00 C ATOM 0 HA PRO A 53 -1.522 -7.471 3.705 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.867 -6.515 4.682 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.166 -7.478 5.719 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.271 -8.320 4.165 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.809 -8.743 5.802 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.388 -10.412 3.654 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.393 -10.454 5.097 1.00 0.00 H new ATOM 810 N ILE A 54 -0.783 -6.206 1.810 1.00 0.00 N ATOM 811 CA ILE A 54 -0.419 -5.457 0.612 1.00 0.00 C ATOM 812 C ILE A 54 -0.877 -4.005 0.720 1.00 0.00 C ATOM 813 O ILE A 54 -1.829 -3.696 1.434 1.00 0.00 O ATOM 814 CB ILE A 54 -1.042 -6.064 -0.663 1.00 0.00 C ATOM 815 CG1 ILE A 54 -1.015 -7.593 -0.613 1.00 0.00 C ATOM 816 CG2 ILE A 54 -0.316 -5.558 -1.901 1.00 0.00 C ATOM 817 CD1 ILE A 54 0.377 -8.182 -0.617 1.00 0.00 C ATOM 0 H ILE A 54 -1.695 -5.962 2.195 1.00 0.00 H new ATOM 0 HA ILE A 54 0.667 -5.508 0.537 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.084 -5.747 -0.715 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.537 -7.927 0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.567 -7.984 -1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.767 -5.995 -2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.394 -4.472 -1.950 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.735 -5.844 -1.849 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.312 -9.269 -0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.897 -7.880 -1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.927 -7.822 0.252 1.00 0.00 H new ATOM 829 N VAL A 55 -0.199 -3.122 0.001 1.00 0.00 N ATOM 830 CA VAL A 55 -0.541 -1.705 0.005 1.00 0.00 C ATOM 831 C VAL A 55 -0.464 -1.132 -1.404 1.00 0.00 C ATOM 832 O VAL A 55 0.436 -1.474 -2.171 1.00 0.00 O ATOM 833 CB VAL A 55 0.394 -0.898 0.928 1.00 0.00 C ATOM 834 CG1 VAL A 55 -0.070 0.547 1.036 1.00 0.00 C ATOM 835 CG2 VAL A 55 0.474 -1.543 2.303 1.00 0.00 C ATOM 0 H VAL A 55 0.594 -3.362 -0.595 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.561 -1.622 0.382 1.00 0.00 H new ATOM 0 HB VAL A 55 1.392 -0.901 0.490 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.604 1.098 1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.068 1.005 0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.079 0.575 1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.138 -0.960 2.940 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.520 -1.575 2.748 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.862 -2.557 2.207 1.00 0.00 H new ATOM 845 N VAL A 56 -1.409 -0.263 -1.749 1.00 0.00 N ATOM 846 CA VAL A 56 -1.425 0.343 -3.076 1.00 0.00 C ATOM 847 C VAL A 56 -1.141 1.840 -3.000 1.00 0.00 C ATOM 848 O VAL A 56 -1.356 2.471 -1.965 1.00 0.00 O ATOM 849 CB VAL A 56 -2.767 0.113 -3.814 1.00 0.00 C ATOM 850 CG1 VAL A 56 -2.592 -0.899 -4.936 1.00 0.00 C ATOM 851 CG2 VAL A 56 -3.862 -0.337 -2.855 1.00 0.00 C ATOM 0 H VAL A 56 -2.167 0.035 -1.135 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.636 -0.149 -3.645 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.075 1.065 -4.246 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.545 -1.048 -5.443 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.855 -0.528 -5.649 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.250 -1.847 -4.521 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.789 -0.489 -3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.566 -1.271 -2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.015 0.427 -2.093 1.00 0.00 H new ATOM 861 N VAL A 57 -0.648 2.399 -4.101 1.00 0.00 N ATOM 862 CA VAL A 57 -0.321 3.819 -4.157 1.00 0.00 C ATOM 863 C VAL A 57 -0.628 4.411 -5.530 1.00 0.00 C ATOM 864 O VAL A 57 -1.094 3.712 -6.428 1.00 0.00 O ATOM 865 CB VAL A 57 1.165 4.059 -3.836 1.00 0.00 C ATOM 866 CG1 VAL A 57 1.408 3.971 -2.337 1.00 0.00 C ATOM 867 CG2 VAL A 57 2.042 3.068 -4.587 1.00 0.00 C ATOM 0 H VAL A 57 -0.466 1.890 -4.966 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.941 4.312 -3.408 1.00 0.00 H new ATOM 0 HB VAL A 57 1.431 5.063 -4.165 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.464 4.143 -2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.810 4.726 -1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.125 2.981 -1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.089 3.254 -4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.777 2.052 -4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.889 3.187 -5.660 1.00 0.00 H new ATOM 877 N GLN A 58 -0.358 5.706 -5.682 1.00 0.00 N ATOM 878 CA GLN A 58 -0.596 6.402 -6.944 1.00 0.00 C ATOM 879 C GLN A 58 -0.341 7.902 -6.792 1.00 0.00 C ATOM 880 O GLN A 58 -1.265 8.712 -6.875 1.00 0.00 O ATOM 881 CB GLN A 58 -2.028 6.157 -7.435 1.00 0.00 C ATOM 882 CG GLN A 58 -2.104 5.710 -8.886 1.00 0.00 C ATOM 883 CD GLN A 58 -3.088 6.529 -9.700 1.00 0.00 C ATOM 884 OE1 GLN A 58 -4.302 6.361 -9.580 1.00 0.00 O ATOM 885 NE2 GLN A 58 -2.568 7.421 -10.535 1.00 0.00 N ATOM 0 H GLN A 58 0.027 6.296 -4.944 1.00 0.00 H new ATOM 0 HA GLN A 58 0.099 6.005 -7.684 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.495 5.400 -6.805 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.607 7.073 -7.315 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.115 5.785 -9.337 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.393 4.660 -8.924 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.556 7.527 -10.602 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.181 8.000 -11.109 1.00 0.00 H new ATOM 894 N PRO A 59 0.924 8.294 -6.567 1.00 0.00 N ATOM 895 CA PRO A 59 1.298 9.703 -6.404 1.00 0.00 C ATOM 896 C PRO A 59 0.786 10.574 -7.547 1.00 0.00 C ATOM 897 O PRO A 59 1.295 10.510 -8.666 1.00 0.00 O ATOM 898 CB PRO A 59 2.827 9.669 -6.402 1.00 0.00 C ATOM 899 CG PRO A 59 3.175 8.298 -5.935 1.00 0.00 C ATOM 900 CD PRO A 59 2.090 7.397 -6.455 1.00 0.00 C ATOM 0 HA PRO A 59 0.868 10.136 -5.501 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.229 9.862 -7.397 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.239 10.430 -5.739 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.151 7.993 -6.313 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.228 8.258 -4.847 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.356 6.962 -7.418 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.895 6.568 -5.774 1.00 0.00 H new ATOM 908 N ASP A 60 -0.225 11.388 -7.258 1.00 0.00 N ATOM 909 CA ASP A 60 -0.804 12.273 -8.262 1.00 0.00 C ATOM 910 C ASP A 60 -1.715 13.308 -7.616 1.00 0.00 C ATOM 911 O ASP A 60 -1.674 14.489 -7.962 1.00 0.00 O ATOM 912 CB ASP A 60 -1.587 11.460 -9.296 1.00 0.00 C ATOM 913 CG ASP A 60 -1.472 12.040 -10.693 1.00 0.00 C ATOM 914 OD1 ASP A 60 -1.891 13.200 -10.890 1.00 0.00 O ATOM 915 OD2 ASP A 60 -0.965 11.333 -11.589 1.00 0.00 O ATOM 0 H ASP A 60 -0.660 11.453 -6.337 1.00 0.00 H new ATOM 0 HA ASP A 60 0.011 12.797 -8.762 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.221 10.433 -9.300 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.637 11.423 -9.006 1.00 0.00 H new ATOM 1054 N ALA A 70 8.585 7.572 1.923 1.00 0.00 N ATOM 1055 CA ALA A 70 8.443 7.086 3.290 1.00 0.00 C ATOM 1056 C ALA A 70 7.279 6.106 3.410 1.00 0.00 C ATOM 1057 O ALA A 70 6.740 5.899 4.499 1.00 0.00 O ATOM 1058 CB ALA A 70 8.254 8.253 4.247 1.00 0.00 C ATOM 0 HA ALA A 70 9.357 6.555 3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.149 7.876 5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.120 8.913 4.192 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.357 8.808 3.972 1.00 0.00 H new ATOM 1064 N ILE A 71 6.896 5.500 2.289 1.00 0.00 N ATOM 1065 CA ILE A 71 5.799 4.542 2.278 1.00 0.00 C ATOM 1066 C ILE A 71 6.192 3.261 3.003 1.00 0.00 C ATOM 1067 O ILE A 71 5.365 2.625 3.657 1.00 0.00 O ATOM 1068 CB ILE A 71 5.362 4.194 0.840 1.00 0.00 C ATOM 1069 CG1 ILE A 71 5.291 5.457 -0.027 1.00 0.00 C ATOM 1070 CG2 ILE A 71 4.018 3.482 0.854 1.00 0.00 C ATOM 1071 CD1 ILE A 71 4.439 6.559 0.567 1.00 0.00 C ATOM 0 H ILE A 71 7.330 5.656 1.379 1.00 0.00 H new ATOM 0 HA ILE A 71 4.962 5.012 2.794 1.00 0.00 H new ATOM 0 HB ILE A 71 6.106 3.525 0.407 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.301 5.836 -0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.894 5.192 -1.007 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.722 3.243 -0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.100 2.562 1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.268 4.130 1.306 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.437 7.419 -0.103 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.418 6.199 0.698 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.847 6.853 1.534 1.00 0.00 H new ATOM 1083 N GLY A 72 7.464 2.894 2.889 1.00 0.00 N ATOM 1084 CA GLY A 72 7.953 1.695 3.544 1.00 0.00 C ATOM 1085 C GLY A 72 8.314 1.939 4.997 1.00 0.00 C ATOM 1086 O GLY A 72 8.373 1.004 5.794 1.00 0.00 O ATOM 0 H GLY A 72 8.166 3.406 2.354 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.192 0.916 3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.829 1.324 3.012 1.00 0.00 H new ATOM 1090 N GLN A 73 8.555 3.201 5.342 1.00 0.00 N ATOM 1091 CA GLN A 73 8.909 3.566 6.708 1.00 0.00 C ATOM 1092 C GLN A 73 7.674 3.576 7.605 1.00 0.00 C ATOM 1093 O GLN A 73 7.777 3.400 8.819 1.00 0.00 O ATOM 1094 CB GLN A 73 9.584 4.939 6.734 1.00 0.00 C ATOM 1095 CG GLN A 73 10.219 5.280 8.072 1.00 0.00 C ATOM 1096 CD GLN A 73 9.923 6.700 8.513 1.00 0.00 C ATOM 1097 OE1 GLN A 73 9.765 7.599 7.688 1.00 0.00 O ATOM 1098 NE2 GLN A 73 9.845 6.907 9.822 1.00 0.00 N ATOM 0 H GLN A 73 8.511 3.987 4.694 1.00 0.00 H new ATOM 0 HA GLN A 73 9.607 2.820 7.088 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.350 4.973 5.959 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.846 5.702 6.487 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.856 4.585 8.830 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.298 5.142 8.003 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.983 6.132 10.470 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.647 7.841 10.180 1.00 0.00 H new ATOM 1107 N MET A 74 6.508 3.784 6.999 1.00 0.00 N ATOM 1108 CA MET A 74 5.256 3.816 7.746 1.00 0.00 C ATOM 1109 C MET A 74 4.590 2.443 7.752 1.00 0.00 C ATOM 1110 O MET A 74 3.879 2.093 8.693 1.00 0.00 O ATOM 1111 CB MET A 74 4.306 4.854 7.143 1.00 0.00 C ATOM 1112 CG MET A 74 4.634 6.284 7.543 1.00 0.00 C ATOM 1113 SD MET A 74 4.809 7.384 6.125 1.00 0.00 S ATOM 1114 CE MET A 74 3.099 7.567 5.625 1.00 0.00 C ATOM 0 H MET A 74 6.405 3.932 5.995 1.00 0.00 H new ATOM 0 HA MET A 74 5.482 4.094 8.775 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.336 4.774 6.056 1.00 0.00 H new ATOM 0 HB3 MET A 74 3.286 4.624 7.452 1.00 0.00 H new ATOM 0 HG2 MET A 74 3.848 6.663 8.196 1.00 0.00 H new ATOM 0 HG3 MET A 74 5.559 6.292 8.120 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.042 8.222 4.756 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.688 6.590 5.370 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.525 8.000 6.444 1.00 0.00 H new ATOM 1124 N CYS A 75 4.828 1.669 6.697 1.00 0.00 N ATOM 1125 CA CYS A 75 4.252 0.333 6.585 1.00 0.00 C ATOM 1126 C CYS A 75 5.317 -0.683 6.181 1.00 0.00 C ATOM 1127 O CYS A 75 6.310 -0.335 5.545 1.00 0.00 O ATOM 1128 CB CYS A 75 3.112 0.331 5.564 1.00 0.00 C ATOM 1129 SG CYS A 75 2.310 -1.276 5.355 1.00 0.00 S ATOM 0 H CYS A 75 5.415 1.943 5.909 1.00 0.00 H new ATOM 0 HA CYS A 75 3.856 0.050 7.560 1.00 0.00 H new ATOM 0 HB2 CYS A 75 2.363 1.061 5.870 1.00 0.00 H new ATOM 0 HB3 CYS A 75 3.501 0.659 4.600 1.00 0.00 H new ATOM 0 HG CYS A 75 1.809 -1.662 6.491 1.00 0.00 H new ATOM 1135 N GLU A 76 5.103 -1.940 6.558 1.00 0.00 N ATOM 1136 CA GLU A 76 6.047 -3.005 6.236 1.00 0.00 C ATOM 1137 C GLU A 76 5.652 -3.714 4.946 1.00 0.00 C ATOM 1138 O GLU A 76 6.509 -4.109 4.155 1.00 0.00 O ATOM 1139 CB GLU A 76 6.120 -4.013 7.385 1.00 0.00 C ATOM 1140 CG GLU A 76 7.380 -4.863 7.369 1.00 0.00 C ATOM 1141 CD GLU A 76 7.485 -5.773 8.577 1.00 0.00 C ATOM 1142 OE1 GLU A 76 6.430 -6.199 9.092 1.00 0.00 O ATOM 1143 OE2 GLU A 76 8.622 -6.060 9.007 1.00 0.00 O ATOM 0 H GLU A 76 4.286 -2.246 7.086 1.00 0.00 H new ATOM 0 HA GLU A 76 7.029 -2.554 6.093 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.066 -3.476 8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.250 -4.667 7.339 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.395 -5.467 6.462 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.253 -4.211 7.333 1.00 0.00 H new ATOM 1150 N ALA A 77 4.349 -3.872 4.738 1.00 0.00 N ATOM 1151 CA ALA A 77 3.838 -4.532 3.542 1.00 0.00 C ATOM 1152 C ALA A 77 4.361 -3.861 2.274 1.00 0.00 C ATOM 1153 O ALA A 77 4.968 -2.792 2.332 1.00 0.00 O ATOM 1154 CB ALA A 77 2.317 -4.538 3.553 1.00 0.00 C ATOM 0 H ALA A 77 3.627 -3.552 5.383 1.00 0.00 H new ATOM 0 HA ALA A 77 4.194 -5.562 3.546 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.949 -5.034 2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.962 -5.073 4.434 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.949 -3.512 3.578 1.00 0.00 H new ATOM 1160 N PRO A 78 4.133 -4.486 1.105 1.00 0.00 N ATOM 1161 CA PRO A 78 4.586 -3.947 -0.181 1.00 0.00 C ATOM 1162 C PRO A 78 3.708 -2.804 -0.681 1.00 0.00 C ATOM 1163 O PRO A 78 2.575 -2.634 -0.233 1.00 0.00 O ATOM 1164 CB PRO A 78 4.475 -5.150 -1.115 1.00 0.00 C ATOM 1165 CG PRO A 78 3.364 -5.964 -0.547 1.00 0.00 C ATOM 1166 CD PRO A 78 3.420 -5.768 0.945 1.00 0.00 C ATOM 0 HA PRO A 78 5.588 -3.522 -0.116 1.00 0.00 H new ATOM 0 HB2 PRO A 78 4.257 -4.840 -2.137 1.00 0.00 H new ATOM 0 HB3 PRO A 78 5.406 -5.716 -1.145 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.402 -5.642 -0.946 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.481 -7.016 -0.806 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.422 -5.728 1.381 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.950 -6.584 1.436 1.00 0.00 H new ATOM 1174 N VAL A 79 4.244 -2.026 -1.617 1.00 0.00 N ATOM 1175 CA VAL A 79 3.518 -0.898 -2.189 1.00 0.00 C ATOM 1176 C VAL A 79 3.501 -0.984 -3.712 1.00 0.00 C ATOM 1177 O VAL A 79 4.555 -1.018 -4.347 1.00 0.00 O ATOM 1178 CB VAL A 79 4.145 0.445 -1.769 1.00 0.00 C ATOM 1179 CG1 VAL A 79 3.226 1.601 -2.130 1.00 0.00 C ATOM 1180 CG2 VAL A 79 4.458 0.449 -0.281 1.00 0.00 C ATOM 0 H VAL A 79 5.182 -2.157 -1.996 1.00 0.00 H new ATOM 0 HA VAL A 79 2.498 -0.946 -1.808 1.00 0.00 H new ATOM 0 HB VAL A 79 5.081 0.571 -2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.687 2.541 -1.825 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.060 1.611 -3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.272 1.481 -1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.900 1.406 -0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.539 0.297 0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.160 -0.354 -0.055 1.00 0.00 H new ATOM 1190 N VAL A 80 2.306 -1.025 -4.297 1.00 0.00 N ATOM 1191 CA VAL A 80 2.174 -1.115 -5.748 1.00 0.00 C ATOM 1192 C VAL A 80 1.017 -0.263 -6.259 1.00 0.00 C ATOM 1193 O VAL A 80 -0.048 -0.216 -5.647 1.00 0.00 O ATOM 1194 CB VAL A 80 1.953 -2.571 -6.203 1.00 0.00 C ATOM 1195 CG1 VAL A 80 3.128 -3.445 -5.799 1.00 0.00 C ATOM 1196 CG2 VAL A 80 0.655 -3.121 -5.631 1.00 0.00 C ATOM 0 H VAL A 80 1.420 -0.997 -3.792 1.00 0.00 H new ATOM 0 HA VAL A 80 3.109 -0.742 -6.167 1.00 0.00 H new ATOM 0 HB VAL A 80 1.879 -2.580 -7.290 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.951 -4.468 -6.130 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.039 -3.066 -6.262 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.238 -3.428 -4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.518 -4.150 -5.964 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.697 -3.095 -4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.181 -2.513 -5.976 1.00 0.00 H new ATOM 1206 N THR A 81 1.224 0.400 -7.391 1.00 0.00 N ATOM 1207 CA THR A 81 0.186 1.241 -7.982 1.00 0.00 C ATOM 1208 C THR A 81 -1.098 0.442 -8.199 1.00 0.00 C ATOM 1209 O THR A 81 -1.082 -0.788 -8.181 1.00 0.00 O ATOM 1210 CB THR A 81 0.662 1.826 -9.314 1.00 0.00 C ATOM 1211 OG1 THR A 81 0.547 0.870 -10.351 1.00 0.00 O ATOM 1212 CG2 THR A 81 2.099 2.299 -9.285 1.00 0.00 C ATOM 0 H THR A 81 2.097 0.373 -7.917 1.00 0.00 H new ATOM 0 HA THR A 81 -0.020 2.057 -7.290 1.00 0.00 H new ATOM 0 HB THR A 81 0.018 2.687 -9.495 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.335 0.920 -10.931 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.369 2.701 -10.261 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.211 3.076 -8.529 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.753 1.461 -9.044 1.00 0.00 H new ATOM 1220 N ARG A 82 -2.207 1.148 -8.402 1.00 0.00 N ATOM 1221 CA ARG A 82 -3.497 0.493 -8.619 1.00 0.00 C ATOM 1222 C ARG A 82 -3.437 -0.480 -9.794 1.00 0.00 C ATOM 1223 O ARG A 82 -4.273 -1.378 -9.904 1.00 0.00 O ATOM 1224 CB ARG A 82 -4.612 1.521 -8.855 1.00 0.00 C ATOM 1225 CG ARG A 82 -4.166 2.774 -9.598 1.00 0.00 C ATOM 1226 CD ARG A 82 -5.046 3.050 -10.808 1.00 0.00 C ATOM 1227 NE ARG A 82 -4.288 3.624 -11.916 1.00 0.00 N ATOM 1228 CZ ARG A 82 -4.832 3.998 -13.072 1.00 0.00 C ATOM 1229 NH1 ARG A 82 -6.137 3.859 -13.274 1.00 0.00 N ATOM 1230 NH2 ARG A 82 -4.071 4.511 -14.028 1.00 0.00 N ATOM 0 H ARG A 82 -2.241 2.167 -8.421 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.725 -0.068 -7.713 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.415 1.045 -9.419 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -5.029 1.814 -7.892 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.197 3.629 -8.922 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.131 2.658 -9.919 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.517 2.122 -11.133 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.848 3.732 -10.525 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.282 3.746 -11.797 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.727 3.464 -12.542 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -6.549 4.147 -14.161 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -3.068 4.619 -13.878 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -4.488 4.797 -14.914 1.00 0.00 H new ATOM 1244 N GLU A 83 -2.447 -0.306 -10.671 1.00 0.00 N ATOM 1245 CA GLU A 83 -2.292 -1.182 -11.831 1.00 0.00 C ATOM 1246 C GLU A 83 -2.409 -2.647 -11.425 1.00 0.00 C ATOM 1247 O GLU A 83 -3.037 -3.446 -12.117 1.00 0.00 O ATOM 1248 CB GLU A 83 -0.947 -0.933 -12.515 1.00 0.00 C ATOM 1249 CG GLU A 83 -1.003 0.140 -13.590 1.00 0.00 C ATOM 1250 CD GLU A 83 0.144 1.127 -13.492 1.00 0.00 C ATOM 1251 OE1 GLU A 83 1.294 0.682 -13.293 1.00 0.00 O ATOM 1252 OE2 GLU A 83 -0.107 2.344 -13.614 1.00 0.00 O ATOM 0 H GLU A 83 -1.744 0.430 -10.600 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.092 -0.954 -12.535 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.214 -0.644 -11.762 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.597 -1.864 -12.960 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.986 -0.334 -14.572 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.948 0.678 -13.512 1.00 0.00 H new ATOM 1259 N TRP A 84 -1.810 -2.990 -10.288 1.00 0.00 N ATOM 1260 CA TRP A 84 -1.863 -4.356 -9.780 1.00 0.00 C ATOM 1261 C TRP A 84 -3.307 -4.777 -9.563 1.00 0.00 C ATOM 1262 O TRP A 84 -3.776 -5.769 -10.121 1.00 0.00 O ATOM 1263 CB TRP A 84 -1.108 -4.453 -8.456 1.00 0.00 C ATOM 1264 CG TRP A 84 -1.104 -5.833 -7.871 1.00 0.00 C ATOM 1265 CD1 TRP A 84 -0.359 -6.901 -8.285 1.00 0.00 C ATOM 1266 CD2 TRP A 84 -1.886 -6.295 -6.763 1.00 0.00 C ATOM 1267 NE1 TRP A 84 -0.631 -7.997 -7.502 1.00 0.00 N ATOM 1268 CE2 TRP A 84 -1.565 -7.650 -6.561 1.00 0.00 C ATOM 1269 CE3 TRP A 84 -2.827 -5.693 -5.923 1.00 0.00 C ATOM 1270 CZ2 TRP A 84 -2.153 -8.412 -5.552 1.00 0.00 C ATOM 1271 CZ3 TRP A 84 -3.408 -6.450 -4.923 1.00 0.00 C ATOM 1272 CH2 TRP A 84 -3.070 -7.796 -4.745 1.00 0.00 C ATOM 0 H TRP A 84 -1.283 -2.342 -9.702 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.398 -5.016 -10.512 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.079 -4.129 -8.609 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -1.556 -3.764 -7.740 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.341 -6.886 -9.107 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -0.207 -8.919 -7.604 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -3.095 -4.655 -6.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -1.894 -9.451 -5.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -4.136 -5.995 -4.268 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.543 -8.360 -3.955 1.00 0.00 H new ATOM 1283 N VAL A 85 -3.996 -4.002 -8.744 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.395 -4.260 -8.424 1.00 0.00 C ATOM 1285 C VAL A 85 -6.247 -4.330 -9.688 1.00 0.00 C ATOM 1286 O VAL A 85 -7.114 -5.192 -9.816 1.00 0.00 O ATOM 1287 CB VAL A 85 -5.964 -3.172 -7.490 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -7.401 -3.486 -7.104 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -5.092 -3.026 -6.252 1.00 0.00 C ATOM 0 H VAL A 85 -3.607 -3.180 -8.283 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.432 -5.223 -7.915 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.961 -2.224 -8.027 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.780 -2.705 -6.445 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.017 -3.534 -8.002 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.438 -4.445 -6.588 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.507 -2.255 -5.603 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.061 -3.974 -5.715 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.082 -2.745 -6.550 1.00 0.00 H new ATOM 1299 N LEU A 86 -5.994 -3.416 -10.616 1.00 0.00 N ATOM 1300 CA LEU A 86 -6.741 -3.374 -11.867 1.00 0.00 C ATOM 1301 C LEU A 86 -6.376 -4.555 -12.762 1.00 0.00 C ATOM 1302 O LEU A 86 -7.241 -5.330 -13.166 1.00 0.00 O ATOM 1303 CB LEU A 86 -6.477 -2.055 -12.600 1.00 0.00 C ATOM 1304 CG LEU A 86 -7.722 -1.212 -12.882 1.00 0.00 C ATOM 1305 CD1 LEU A 86 -8.179 -0.495 -11.621 1.00 0.00 C ATOM 1306 CD2 LEU A 86 -7.446 -0.212 -13.995 1.00 0.00 C ATOM 0 H LEU A 86 -5.278 -2.695 -10.527 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.803 -3.441 -11.629 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.781 -1.461 -12.008 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.984 -2.275 -13.547 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.522 -1.877 -13.207 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.066 0.099 -11.842 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.417 -1.229 -10.851 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.383 0.159 -11.266 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.342 0.380 -14.183 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.631 0.448 -13.697 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.167 -0.746 -14.903 1.00 0.00 H new ATOM 1318 N ASP A 87 -5.089 -4.685 -13.065 1.00 0.00 N ATOM 1319 CA ASP A 87 -4.609 -5.772 -13.910 1.00 0.00 C ATOM 1320 C ASP A 87 -5.004 -7.127 -13.328 1.00 0.00 C ATOM 1321 O ASP A 87 -5.221 -8.090 -14.063 1.00 0.00 O ATOM 1322 CB ASP A 87 -3.089 -5.692 -14.065 1.00 0.00 C ATOM 1323 CG ASP A 87 -2.544 -6.753 -15.001 1.00 0.00 C ATOM 1324 OD1 ASP A 87 -2.828 -7.948 -14.774 1.00 0.00 O ATOM 1325 OD2 ASP A 87 -1.833 -6.389 -15.962 1.00 0.00 O ATOM 0 H ASP A 87 -4.360 -4.051 -12.738 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.072 -5.670 -14.891 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.817 -4.706 -14.441 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.621 -5.800 -13.087 1.00 0.00 H new ATOM 1330 N SER A 88 -5.094 -7.192 -12.003 1.00 0.00 N ATOM 1331 CA SER A 88 -5.462 -8.427 -11.321 1.00 0.00 C ATOM 1332 C SER A 88 -6.963 -8.680 -11.416 1.00 0.00 C ATOM 1333 O SER A 88 -7.395 -9.771 -11.789 1.00 0.00 O ATOM 1334 CB SER A 88 -5.037 -8.369 -9.852 1.00 0.00 C ATOM 1335 OG SER A 88 -3.636 -8.534 -9.719 1.00 0.00 O ATOM 0 H SER A 88 -4.917 -6.403 -11.381 1.00 0.00 H new ATOM 0 HA SER A 88 -4.943 -9.250 -11.813 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.336 -7.413 -9.421 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.553 -9.148 -9.290 1.00 0.00 H new ATOM 0 HG SER A 88 -3.195 -7.662 -9.793 1.00 0.00 H new ATOM 1341 N VAL A 89 -7.755 -7.670 -11.071 1.00 0.00 N ATOM 1342 CA VAL A 89 -9.210 -7.787 -11.114 1.00 0.00 C ATOM 1343 C VAL A 89 -9.724 -7.825 -12.550 1.00 0.00 C ATOM 1344 O VAL A 89 -10.770 -8.415 -12.828 1.00 0.00 O ATOM 1345 CB VAL A 89 -9.888 -6.626 -10.360 1.00 0.00 C ATOM 1346 CG1 VAL A 89 -11.400 -6.803 -10.349 1.00 0.00 C ATOM 1347 CG2 VAL A 89 -9.345 -6.522 -8.942 1.00 0.00 C ATOM 0 H VAL A 89 -7.415 -6.761 -10.758 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.465 -8.726 -10.623 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.660 -5.697 -10.882 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.860 -5.973 -9.812 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.772 -6.822 -11.374 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.653 -7.740 -9.854 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.835 -5.697 -8.424 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.540 -7.452 -8.408 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.271 -6.342 -8.976 1.00 0.00 H new ATOM 1357 N ALA A 90 -8.989 -7.194 -13.459 1.00 0.00 N ATOM 1358 CA ALA A 90 -9.377 -7.157 -14.864 1.00 0.00 C ATOM 1359 C ALA A 90 -9.306 -8.547 -15.487 1.00 0.00 C ATOM 1360 O ALA A 90 -10.300 -9.061 -16.000 1.00 0.00 O ATOM 1361 CB ALA A 90 -8.493 -6.186 -15.630 1.00 0.00 C ATOM 0 H ALA A 90 -8.121 -6.701 -13.248 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.409 -6.813 -14.923 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.794 -6.169 -16.677 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.597 -5.187 -15.206 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.453 -6.505 -15.557 1.00 0.00 H new ATOM 1367 N LEU A 91 -8.123 -9.149 -15.436 1.00 0.00 N ATOM 1368 CA LEU A 91 -7.917 -10.481 -15.992 1.00 0.00 C ATOM 1369 C LEU A 91 -8.216 -11.565 -14.956 1.00 0.00 C ATOM 1370 O LEU A 91 -8.284 -12.748 -15.287 1.00 0.00 O ATOM 1371 CB LEU A 91 -6.479 -10.623 -16.494 1.00 0.00 C ATOM 1372 CG LEU A 91 -6.110 -12.008 -17.029 1.00 0.00 C ATOM 1373 CD1 LEU A 91 -6.987 -12.371 -18.217 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -4.639 -12.054 -17.416 1.00 0.00 C ATOM 0 H LEU A 91 -7.291 -8.735 -15.015 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.606 -10.609 -16.827 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.313 -9.890 -17.283 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.800 -10.373 -15.679 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.281 -12.740 -16.240 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.711 -13.359 -18.585 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.033 -12.378 -17.909 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.847 -11.637 -19.010 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.393 -13.046 -17.795 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.443 -11.312 -18.190 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.026 -11.837 -16.541 1.00 0.00 H new ATOM 1386 N TYR A 92 -8.389 -11.156 -13.700 1.00 0.00 N ATOM 1387 CA TYR A 92 -8.676 -12.095 -12.622 1.00 0.00 C ATOM 1388 C TYR A 92 -7.497 -13.037 -12.399 1.00 0.00 C ATOM 1389 O TYR A 92 -7.506 -14.180 -12.858 1.00 0.00 O ATOM 1390 CB TYR A 92 -9.943 -12.897 -12.931 1.00 0.00 C ATOM 1391 CG TYR A 92 -11.092 -12.611 -11.989 1.00 0.00 C ATOM 1392 CD1 TYR A 92 -10.876 -12.428 -10.627 1.00 0.00 C ATOM 1393 CD2 TYR A 92 -12.396 -12.525 -12.462 1.00 0.00 C ATOM 1394 CE1 TYR A 92 -11.926 -12.169 -9.767 1.00 0.00 C ATOM 1395 CE2 TYR A 92 -13.450 -12.265 -11.608 1.00 0.00 C ATOM 1396 CZ TYR A 92 -13.210 -12.088 -10.261 1.00 0.00 C ATOM 1397 OH TYR A 92 -14.259 -11.830 -9.407 1.00 0.00 O ATOM 0 H TYR A 92 -8.335 -10.181 -13.406 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.839 -11.523 -11.708 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -10.259 -12.680 -13.951 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.708 -13.960 -12.890 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.871 -12.489 -10.235 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.589 -12.664 -13.516 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.741 -12.031 -8.712 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -14.457 -12.201 -11.993 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.910 -11.560 -8.532 1.00 0.00 H new ATOM 1407 N GLN A 93 -6.483 -12.549 -11.692 1.00 0.00 N ATOM 1408 CA GLN A 93 -5.295 -13.343 -11.407 1.00 0.00 C ATOM 1409 C GLN A 93 -4.326 -12.566 -10.521 1.00 0.00 C ATOM 1410 O GLN A 93 -3.988 -11.418 -10.811 1.00 0.00 O ATOM 1411 CB GLN A 93 -4.603 -13.753 -12.708 1.00 0.00 C ATOM 1412 CG GLN A 93 -4.103 -15.189 -12.705 1.00 0.00 C ATOM 1413 CD GLN A 93 -2.667 -15.306 -12.235 1.00 0.00 C ATOM 1414 OE1 GLN A 93 -2.300 -14.776 -11.186 1.00 0.00 O ATOM 1415 NE2 GLN A 93 -1.845 -16.003 -13.011 1.00 0.00 N ATOM 0 H GLN A 93 -6.461 -11.605 -11.305 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.606 -14.242 -10.875 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.298 -13.621 -13.537 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.761 -13.084 -12.888 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.743 -15.791 -12.060 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.187 -15.601 -13.711 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.192 -16.425 -13.872 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.867 -16.116 -12.746 1.00 0.00 H new ATOM 1424 N CYS A 94 -3.884 -13.198 -9.439 1.00 0.00 N ATOM 1425 CA CYS A 94 -2.956 -12.564 -8.509 1.00 0.00 C ATOM 1426 C CYS A 94 -1.619 -12.274 -9.184 1.00 0.00 C ATOM 1427 O CYS A 94 -0.683 -13.068 -9.096 1.00 0.00 O ATOM 1428 CB CYS A 94 -2.740 -13.456 -7.285 1.00 0.00 C ATOM 1429 SG CYS A 94 -1.767 -12.685 -5.972 1.00 0.00 S ATOM 0 H CYS A 94 -4.153 -14.148 -9.184 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.392 -11.618 -8.189 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -3.711 -13.743 -6.882 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -2.242 -14.373 -7.600 1.00 0.00 H new ATOM 0 HG CYS A 94 -1.641 -13.516 -4.980 1.00 0.00 H new ATOM 1435 N GLN A 95 -1.535 -11.129 -9.853 1.00 0.00 N ATOM 1436 CA GLN A 95 -0.310 -10.733 -10.539 1.00 0.00 C ATOM 1437 C GLN A 95 0.792 -10.411 -9.537 1.00 0.00 C ATOM 1438 O GLN A 95 0.551 -10.360 -8.330 1.00 0.00 O ATOM 1439 CB GLN A 95 -0.568 -9.520 -11.435 1.00 0.00 C ATOM 1440 CG GLN A 95 -1.769 -9.683 -12.352 1.00 0.00 C ATOM 1441 CD GLN A 95 -1.580 -10.796 -13.365 1.00 0.00 C ATOM 1442 OE1 GLN A 95 -1.833 -11.965 -13.075 1.00 0.00 O ATOM 1443 NE2 GLN A 95 -1.133 -10.436 -14.563 1.00 0.00 N ATOM 0 H GLN A 95 -2.300 -10.459 -9.935 1.00 0.00 H new ATOM 0 HA GLN A 95 0.016 -11.569 -11.158 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.717 -8.641 -10.808 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.318 -9.332 -12.041 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.655 -9.889 -11.752 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.951 -8.745 -12.877 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.936 -9.455 -14.760 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.987 -11.141 -15.286 1.00 0.00 H new ATOM 1452 N GLU A 96 2.000 -10.188 -10.042 1.00 0.00 N ATOM 1453 CA GLU A 96 3.137 -9.867 -9.186 1.00 0.00 C ATOM 1454 C GLU A 96 3.082 -8.409 -8.744 1.00 0.00 C ATOM 1455 O GLU A 96 2.446 -7.577 -9.392 1.00 0.00 O ATOM 1456 CB GLU A 96 4.454 -10.140 -9.916 1.00 0.00 C ATOM 1457 CG GLU A 96 4.459 -11.440 -10.702 1.00 0.00 C ATOM 1458 CD GLU A 96 4.250 -12.656 -9.821 1.00 0.00 C ATOM 1459 OE1 GLU A 96 3.180 -12.750 -9.183 1.00 0.00 O ATOM 1460 OE2 GLU A 96 5.157 -13.513 -9.768 1.00 0.00 O ATOM 0 H GLU A 96 2.218 -10.223 -11.038 1.00 0.00 H new ATOM 0 HA GLU A 96 3.085 -10.504 -8.303 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.660 -9.314 -10.596 1.00 0.00 H new ATOM 0 HB3 GLU A 96 5.265 -10.163 -9.188 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.675 -11.405 -11.459 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.408 -11.537 -11.230 1.00 0.00 H new ATOM 1467 N LEU A 97 3.750 -8.105 -7.638 1.00 0.00 N ATOM 1468 CA LEU A 97 3.775 -6.746 -7.110 1.00 0.00 C ATOM 1469 C LEU A 97 5.032 -6.007 -7.558 1.00 0.00 C ATOM 1470 O LEU A 97 5.049 -4.778 -7.628 1.00 0.00 O ATOM 1471 CB LEU A 97 3.696 -6.770 -5.583 1.00 0.00 C ATOM 1472 CG LEU A 97 2.274 -6.799 -5.017 1.00 0.00 C ATOM 1473 CD1 LEU A 97 1.899 -8.209 -4.586 1.00 0.00 C ATOM 1474 CD2 LEU A 97 2.137 -5.831 -3.851 1.00 0.00 C ATOM 0 H LEU A 97 4.282 -8.781 -7.089 1.00 0.00 H new ATOM 0 HA LEU A 97 2.908 -6.214 -7.503 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.236 -7.644 -5.218 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.210 -5.892 -5.192 1.00 0.00 H new ATOM 0 HG LEU A 97 1.588 -6.485 -5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.885 -8.210 -4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.951 -8.878 -5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.592 -8.551 -3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.118 -5.868 -3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.835 -6.111 -3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.359 -4.819 -4.190 1.00 0.00 H new ATOM 1486 N ASP A 98 6.083 -6.761 -7.861 1.00 0.00 N ATOM 1487 CA ASP A 98 7.343 -6.174 -8.303 1.00 0.00 C ATOM 1488 C ASP A 98 7.184 -5.491 -9.660 1.00 0.00 C ATOM 1489 O ASP A 98 7.979 -4.625 -10.024 1.00 0.00 O ATOM 1490 CB ASP A 98 8.428 -7.250 -8.381 1.00 0.00 C ATOM 1491 CG ASP A 98 9.723 -6.813 -7.724 1.00 0.00 C ATOM 1492 OD1 ASP A 98 9.750 -6.701 -6.481 1.00 0.00 O ATOM 1493 OD2 ASP A 98 10.711 -6.584 -8.454 1.00 0.00 O ATOM 0 H ASP A 98 6.088 -7.780 -7.809 1.00 0.00 H new ATOM 0 HA ASP A 98 7.639 -5.420 -7.574 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.069 -8.160 -7.900 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.618 -7.495 -9.426 1.00 0.00 H new ATOM 1498 N THR A 99 6.158 -5.890 -10.406 1.00 0.00 N ATOM 1499 CA THR A 99 5.901 -5.318 -11.724 1.00 0.00 C ATOM 1500 C THR A 99 5.257 -3.936 -11.618 1.00 0.00 C ATOM 1501 O THR A 99 5.264 -3.166 -12.578 1.00 0.00 O ATOM 1502 CB THR A 99 5.001 -6.248 -12.538 1.00 0.00 C ATOM 1503 OG1 THR A 99 5.518 -7.567 -12.543 1.00 0.00 O ATOM 1504 CG2 THR A 99 4.837 -5.813 -13.978 1.00 0.00 C ATOM 0 H THR A 99 5.491 -6.607 -10.120 1.00 0.00 H new ATOM 0 HA THR A 99 6.860 -5.208 -12.230 1.00 0.00 H new ATOM 0 HB THR A 99 4.027 -6.207 -12.051 1.00 0.00 H new ATOM 0 HG1 THR A 99 4.928 -8.148 -13.067 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.187 -6.516 -14.499 1.00 0.00 H new ATOM 0 HG22 THR A 99 4.394 -4.818 -14.009 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.812 -5.791 -14.465 1.00 0.00 H new ATOM 1512 N TYR A 100 4.703 -3.623 -10.449 1.00 0.00 N ATOM 1513 CA TYR A 100 4.059 -2.330 -10.234 1.00 0.00 C ATOM 1514 C TYR A 100 4.399 -1.774 -8.855 1.00 0.00 C ATOM 1515 O TYR A 100 3.658 -0.958 -8.307 1.00 0.00 O ATOM 1516 CB TYR A 100 2.539 -2.456 -10.377 1.00 0.00 C ATOM 1517 CG TYR A 100 2.105 -3.415 -11.463 1.00 0.00 C ATOM 1518 CD1 TYR A 100 1.997 -4.778 -11.212 1.00 0.00 C ATOM 1519 CD2 TYR A 100 1.802 -2.958 -12.740 1.00 0.00 C ATOM 1520 CE1 TYR A 100 1.601 -5.656 -12.201 1.00 0.00 C ATOM 1521 CE2 TYR A 100 1.405 -3.831 -13.735 1.00 0.00 C ATOM 1522 CZ TYR A 100 1.306 -5.180 -13.461 1.00 0.00 C ATOM 1523 OH TYR A 100 0.911 -6.052 -14.448 1.00 0.00 O ATOM 0 H TYR A 100 4.687 -4.244 -9.640 1.00 0.00 H new ATOM 0 HA TYR A 100 4.434 -1.642 -10.991 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.120 -2.785 -9.426 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.120 -1.472 -10.586 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.227 -5.156 -10.227 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.878 -1.903 -12.958 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.523 -6.712 -11.989 1.00 0.00 H new ATOM 0 HE2 TYR A 100 1.173 -3.459 -14.722 1.00 0.00 H new ATOM 0 HH TYR A 100 -0.007 -5.843 -14.721 1.00 0.00 H new ATOM 1533 N LEU A 101 5.520 -2.220 -8.298 1.00 0.00 N ATOM 1534 CA LEU A 101 5.949 -1.765 -6.982 1.00 0.00 C ATOM 1535 C LEU A 101 6.690 -0.434 -7.078 1.00 0.00 C ATOM 1536 O LEU A 101 7.868 -0.392 -7.434 1.00 0.00 O ATOM 1537 CB LEU A 101 6.847 -2.819 -6.328 1.00 0.00 C ATOM 1538 CG LEU A 101 6.406 -3.272 -4.933 1.00 0.00 C ATOM 1539 CD1 LEU A 101 6.593 -4.773 -4.774 1.00 0.00 C ATOM 1540 CD2 LEU A 101 7.178 -2.520 -3.860 1.00 0.00 C ATOM 0 H LEU A 101 6.146 -2.895 -8.737 1.00 0.00 H new ATOM 0 HA LEU A 101 5.061 -1.618 -6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.891 -3.692 -6.980 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.859 -2.420 -6.261 1.00 0.00 H new ATOM 0 HG LEU A 101 5.346 -3.045 -4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.274 -5.076 -3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.994 -5.295 -5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.645 -5.025 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.852 -2.854 -2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.244 -2.715 -3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.992 -1.451 -3.960 1.00 0.00 H new