USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 773 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 91 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 94 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.54) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0105) USER MOD Single : A 31 LYS NZ :NH3+ 135:sc= 0.079 (180deg=0) USER MOD Single : A 32 HIS :FLIP no HE2:sc= -5.92! C(o=-7.3!,f=-5.9!) USER MOD Single : A 33 GLN : amide:sc= -0.108 K(o=-0.11,f=-2.1!) USER MOD Single : A 39 GLN : amide:sc= -0.195 K(o=-0.2,f=-0.85) USER MOD Single : A 47 ASN : amide:sc= -0.165 X(o=-0.17,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -130:sc= -0.165 (180deg=-1.19) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -2.45 X(o=-2.4,f=-2) USER MOD Single : A 58 LYS NZ :NH3+ -147:sc= 1.19 (180deg=-0.555) USER MOD Single : A 66 GLN : amide:sc= -0.0675 X(o=-0.068,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN :FLIP amide:sc= 0.946 F(o=-0.25,f=0.95) USER MOD Single : A 92 GLN : amide:sc= -0.0419 X(o=-0.042,f=-0.41) USER MOD Single : A 96 GLN : amide:sc=-0.000212 K(o=-0.00021,f=-0.51) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -71:sc= 1.33 USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 9 10.555 10.988 -18.035 1.00 0.00 N ATOM 84 CA ALA A 9 11.121 10.465 -16.798 1.00 0.00 C ATOM 85 C ALA A 9 11.409 8.972 -16.915 1.00 0.00 C ATOM 86 O ALA A 9 10.935 8.309 -17.838 1.00 0.00 O ATOM 87 CB ALA A 9 10.181 10.733 -15.633 1.00 0.00 C ATOM 0 HA ALA A 9 12.065 10.978 -16.614 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.616 10.337 -14.716 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.029 11.807 -15.528 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.223 10.247 -15.819 1.00 0.00 H new ATOM 93 N ALA A 10 12.188 8.449 -15.975 1.00 0.00 N ATOM 94 CA ALA A 10 12.538 7.034 -15.972 1.00 0.00 C ATOM 95 C ALA A 10 11.724 6.269 -14.934 1.00 0.00 C ATOM 96 O ALA A 10 11.252 6.829 -13.944 1.00 0.00 O ATOM 97 CB ALA A 10 14.027 6.859 -15.711 1.00 0.00 C ATOM 0 H ALA A 10 12.589 8.984 -15.205 1.00 0.00 H new ATOM 0 HA ALA A 10 12.302 6.625 -16.954 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.274 5.797 -15.711 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.595 7.364 -16.492 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.280 7.290 -14.742 1.00 0.00 H new ATOM 103 N PRO A 11 11.552 4.959 -15.164 1.00 0.00 N ATOM 104 CA PRO A 11 10.794 4.089 -14.259 1.00 0.00 C ATOM 105 C PRO A 11 11.514 3.863 -12.934 1.00 0.00 C ATOM 106 O PRO A 11 12.692 3.502 -12.909 1.00 0.00 O ATOM 107 CB PRO A 11 10.684 2.776 -15.039 1.00 0.00 C ATOM 108 CG PRO A 11 11.854 2.784 -15.961 1.00 0.00 C ATOM 109 CD PRO A 11 12.086 4.225 -16.324 1.00 0.00 C ATOM 0 HA PRO A 11 9.831 4.522 -13.989 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.712 1.915 -14.371 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.746 2.721 -15.591 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.733 2.357 -15.479 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.655 2.185 -16.850 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.144 4.435 -16.480 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.568 4.496 -17.244 1.00 0.00 H new ATOM 117 N LEU A 12 10.800 4.076 -11.835 1.00 0.00 N ATOM 118 CA LEU A 12 11.371 3.895 -10.504 1.00 0.00 C ATOM 119 C LEU A 12 11.166 2.465 -10.015 1.00 0.00 C ATOM 120 O LEU A 12 10.156 1.831 -10.323 1.00 0.00 O ATOM 121 CB LEU A 12 10.739 4.879 -9.518 1.00 0.00 C ATOM 122 CG LEU A 12 10.678 6.338 -9.973 1.00 0.00 C ATOM 123 CD1 LEU A 12 9.774 7.145 -9.054 1.00 0.00 C ATOM 124 CD2 LEU A 12 12.074 6.942 -10.016 1.00 0.00 C ATOM 0 H LEU A 12 9.825 4.374 -11.838 1.00 0.00 H new ATOM 0 HA LEU A 12 12.442 4.089 -10.565 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.725 4.544 -9.301 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.297 4.834 -8.583 1.00 0.00 H new ATOM 0 HG LEU A 12 10.260 6.368 -10.979 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.742 8.181 -9.392 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.768 6.726 -9.073 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.163 7.108 -8.036 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.011 7.980 -10.342 1.00 0.00 H new ATOM 0 HD22 LEU A 12 12.519 6.900 -9.022 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.693 6.379 -10.715 1.00 0.00 H new ATOM 136 N CYS A 13 12.129 1.964 -9.249 1.00 0.00 N ATOM 137 CA CYS A 13 12.054 0.609 -8.714 1.00 0.00 C ATOM 138 C CYS A 13 12.034 0.626 -7.189 1.00 0.00 C ATOM 139 O CYS A 13 13.023 0.982 -6.549 1.00 0.00 O ATOM 140 CB CYS A 13 13.236 -0.224 -9.211 1.00 0.00 C ATOM 141 SG CYS A 13 12.926 -1.091 -10.768 1.00 0.00 S ATOM 0 H CYS A 13 12.971 2.476 -8.985 1.00 0.00 H new ATOM 0 HA CYS A 13 11.127 0.157 -9.066 1.00 0.00 H new ATOM 0 HB2 CYS A 13 14.099 0.429 -9.337 1.00 0.00 H new ATOM 0 HB3 CYS A 13 13.498 -0.955 -8.446 1.00 0.00 H new ATOM 0 HG CYS A 13 13.984 -1.766 -11.107 1.00 0.00 H new ATOM 147 N VAL A 14 10.900 0.241 -6.613 1.00 0.00 N ATOM 148 CA VAL A 14 10.750 0.212 -5.163 1.00 0.00 C ATOM 149 C VAL A 14 10.466 -1.201 -4.667 1.00 0.00 C ATOM 150 O VAL A 14 9.721 -1.954 -5.296 1.00 0.00 O ATOM 151 CB VAL A 14 9.617 1.145 -4.697 1.00 0.00 C ATOM 152 CG1 VAL A 14 9.926 2.588 -5.068 1.00 0.00 C ATOM 153 CG2 VAL A 14 8.287 0.706 -5.293 1.00 0.00 C ATOM 0 H VAL A 14 10.071 -0.055 -7.129 1.00 0.00 H new ATOM 0 HA VAL A 14 11.693 0.559 -4.741 1.00 0.00 H new ATOM 0 HB VAL A 14 9.542 1.082 -3.611 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.114 3.232 -4.731 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.856 2.896 -4.590 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.030 2.671 -6.150 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.497 1.376 -4.953 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.347 0.738 -6.381 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.063 -0.311 -4.972 1.00 0.00 H new ATOM 163 N LYS A 15 11.063 -1.557 -3.535 1.00 0.00 N ATOM 164 CA LYS A 15 10.874 -2.880 -2.952 1.00 0.00 C ATOM 165 C LYS A 15 9.747 -2.865 -1.924 1.00 0.00 C ATOM 166 O LYS A 15 9.846 -2.205 -0.890 1.00 0.00 O ATOM 167 CB LYS A 15 12.170 -3.361 -2.297 1.00 0.00 C ATOM 168 CG LYS A 15 13.094 -4.103 -3.247 1.00 0.00 C ATOM 169 CD LYS A 15 14.530 -4.091 -2.752 1.00 0.00 C ATOM 170 CE LYS A 15 15.219 -2.773 -3.071 1.00 0.00 C ATOM 171 NZ LYS A 15 16.698 -2.925 -3.152 1.00 0.00 N ATOM 0 H LYS A 15 11.683 -0.947 -3.002 1.00 0.00 H new ATOM 0 HA LYS A 15 10.602 -3.568 -3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.700 -2.502 -1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.923 -4.014 -1.460 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.754 -5.133 -3.356 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.045 -3.645 -4.235 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.546 -4.260 -1.675 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.081 -4.911 -3.212 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.841 -2.386 -4.017 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.971 -2.039 -2.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.130 -2.005 -3.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 17.062 -3.270 -2.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.936 -3.606 -3.901 1.00 0.00 H new ATOM 185 N VAL A 16 8.677 -3.598 -2.216 1.00 0.00 N ATOM 186 CA VAL A 16 7.532 -3.671 -1.315 1.00 0.00 C ATOM 187 C VAL A 16 7.506 -4.999 -0.567 1.00 0.00 C ATOM 188 O VAL A 16 7.480 -6.066 -1.179 1.00 0.00 O ATOM 189 CB VAL A 16 6.206 -3.498 -2.079 1.00 0.00 C ATOM 190 CG1 VAL A 16 5.022 -3.669 -1.139 1.00 0.00 C ATOM 191 CG2 VAL A 16 6.160 -2.141 -2.765 1.00 0.00 C ATOM 0 H VAL A 16 8.579 -4.149 -3.069 1.00 0.00 H new ATOM 0 HA VAL A 16 7.639 -2.856 -0.599 1.00 0.00 H new ATOM 0 HB VAL A 16 6.145 -4.270 -2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.094 -3.543 -1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.048 -4.665 -0.698 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.074 -2.921 -0.348 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.216 -2.036 -3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.243 -1.352 -2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.988 -2.061 -3.470 1.00 0.00 H new ATOM 201 N GLU A 17 7.512 -4.924 0.760 1.00 0.00 N ATOM 202 CA GLU A 17 7.489 -6.122 1.592 1.00 0.00 C ATOM 203 C GLU A 17 6.286 -6.110 2.530 1.00 0.00 C ATOM 204 O GLU A 17 6.047 -5.132 3.239 1.00 0.00 O ATOM 205 CB GLU A 17 8.781 -6.231 2.404 1.00 0.00 C ATOM 206 CG GLU A 17 8.821 -7.438 3.325 1.00 0.00 C ATOM 207 CD GLU A 17 9.836 -7.286 4.442 1.00 0.00 C ATOM 208 OE1 GLU A 17 10.849 -6.588 4.233 1.00 0.00 O ATOM 209 OE2 GLU A 17 9.615 -7.867 5.526 1.00 0.00 O ATOM 0 H GLU A 17 7.533 -4.048 1.282 1.00 0.00 H new ATOM 0 HA GLU A 17 7.407 -6.988 0.935 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.628 -6.279 1.719 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.903 -5.326 2.999 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.832 -7.594 3.756 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.059 -8.328 2.742 1.00 0.00 H new ATOM 216 N PHE A 18 5.529 -7.202 2.527 1.00 0.00 N ATOM 217 CA PHE A 18 4.349 -7.318 3.376 1.00 0.00 C ATOM 218 C PHE A 18 4.580 -8.332 4.493 1.00 0.00 C ATOM 219 O PHE A 18 5.168 -9.390 4.274 1.00 0.00 O ATOM 220 CB PHE A 18 3.134 -7.728 2.542 1.00 0.00 C ATOM 221 CG PHE A 18 2.825 -6.775 1.423 1.00 0.00 C ATOM 222 CD1 PHE A 18 3.558 -6.806 0.248 1.00 0.00 C ATOM 223 CD2 PHE A 18 1.802 -5.848 1.547 1.00 0.00 C ATOM 224 CE1 PHE A 18 3.276 -5.930 -0.784 1.00 0.00 C ATOM 225 CE2 PHE A 18 1.516 -4.971 0.518 1.00 0.00 C ATOM 226 CZ PHE A 18 2.254 -5.011 -0.648 1.00 0.00 C ATOM 0 H PHE A 18 5.712 -8.020 1.946 1.00 0.00 H new ATOM 0 HA PHE A 18 4.159 -6.344 3.828 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.307 -8.720 2.126 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.264 -7.804 3.195 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.359 -7.522 0.137 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.222 -5.811 2.457 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.854 -5.964 -1.695 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.715 -4.254 0.626 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.033 -4.325 -1.452 1.00 0.00 H new ATOM 236 N GLY A 19 4.111 -7.999 5.692 1.00 0.00 N ATOM 237 CA GLY A 19 4.276 -8.890 6.826 1.00 0.00 C ATOM 238 C GLY A 19 2.954 -9.413 7.349 1.00 0.00 C ATOM 239 O GLY A 19 1.946 -8.708 7.326 1.00 0.00 O ATOM 0 H GLY A 19 3.620 -7.129 5.898 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.906 -9.730 6.535 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.797 -8.363 7.626 1.00 0.00 H new ATOM 243 N GLY A 20 2.956 -10.656 7.822 1.00 0.00 N ATOM 244 CA GLY A 20 1.741 -11.253 8.345 1.00 0.00 C ATOM 245 C GLY A 20 1.107 -12.226 7.371 1.00 0.00 C ATOM 246 O GLY A 20 1.592 -13.343 7.194 1.00 0.00 O ATOM 0 H GLY A 20 3.777 -11.260 7.852 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.967 -11.772 9.277 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.026 -10.465 8.584 1.00 0.00 H new ATOM 250 N GLY A 21 0.017 -11.802 6.737 1.00 0.00 N ATOM 251 CA GLY A 21 -0.667 -12.657 5.785 1.00 0.00 C ATOM 252 C GLY A 21 -0.988 -11.941 4.488 1.00 0.00 C ATOM 253 O GLY A 21 -1.439 -12.559 3.525 1.00 0.00 O ATOM 0 H GLY A 21 -0.404 -10.882 6.866 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.046 -13.527 5.572 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.591 -13.026 6.231 1.00 0.00 H new ATOM 257 N ALA A 22 -0.755 -10.633 4.464 1.00 0.00 N ATOM 258 CA ALA A 22 -1.022 -9.832 3.276 1.00 0.00 C ATOM 259 C ALA A 22 -0.266 -10.374 2.067 1.00 0.00 C ATOM 260 O ALA A 22 -0.713 -10.231 0.930 1.00 0.00 O ATOM 261 CB ALA A 22 -0.649 -8.378 3.525 1.00 0.00 C ATOM 0 H ALA A 22 -0.382 -10.106 5.253 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.089 -9.891 3.061 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.854 -7.791 2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.237 -7.989 4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.411 -8.311 3.768 1.00 0.00 H new ATOM 267 N GLU A 23 0.881 -10.995 2.322 1.00 0.00 N ATOM 268 CA GLU A 23 1.699 -11.557 1.254 1.00 0.00 C ATOM 269 C GLU A 23 0.865 -12.459 0.348 1.00 0.00 C ATOM 270 O GLU A 23 1.082 -12.513 -0.863 1.00 0.00 O ATOM 271 CB GLU A 23 2.871 -12.347 1.840 1.00 0.00 C ATOM 272 CG GLU A 23 2.449 -13.407 2.843 1.00 0.00 C ATOM 273 CD GLU A 23 3.523 -13.694 3.875 1.00 0.00 C ATOM 274 OE1 GLU A 23 3.636 -12.917 4.846 1.00 0.00 O ATOM 275 OE2 GLU A 23 4.251 -14.696 3.710 1.00 0.00 O ATOM 0 H GLU A 23 1.265 -11.122 3.259 1.00 0.00 H new ATOM 0 HA GLU A 23 2.089 -10.732 0.658 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.418 -12.825 1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.559 -11.654 2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.541 -13.081 3.350 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.205 -14.327 2.312 1.00 0.00 H new ATOM 282 N LEU A 24 -0.088 -13.167 0.944 1.00 0.00 N ATOM 283 CA LEU A 24 -0.955 -14.068 0.192 1.00 0.00 C ATOM 284 C LEU A 24 -1.731 -13.309 -0.880 1.00 0.00 C ATOM 285 O LEU A 24 -2.082 -13.868 -1.920 1.00 0.00 O ATOM 286 CB LEU A 24 -1.928 -14.777 1.136 1.00 0.00 C ATOM 287 CG LEU A 24 -1.300 -15.497 2.330 1.00 0.00 C ATOM 288 CD1 LEU A 24 -2.344 -15.761 3.404 1.00 0.00 C ATOM 289 CD2 LEU A 24 -0.647 -16.798 1.886 1.00 0.00 C ATOM 0 H LEU A 24 -0.280 -13.135 1.945 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.327 -14.812 -0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.638 -14.041 1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.499 -15.504 0.558 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.529 -14.853 2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.879 -16.274 4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.764 -14.814 3.743 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.139 -16.384 2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.205 -17.296 2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.398 -17.447 1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.131 -16.583 1.154 1.00 0.00 H new ATOM 301 N LEU A 25 -1.993 -12.033 -0.621 1.00 0.00 N ATOM 302 CA LEU A 25 -2.726 -11.196 -1.565 1.00 0.00 C ATOM 303 C LEU A 25 -1.863 -10.859 -2.777 1.00 0.00 C ATOM 304 O LEU A 25 -2.359 -10.348 -3.782 1.00 0.00 O ATOM 305 CB LEU A 25 -3.190 -9.909 -0.881 1.00 0.00 C ATOM 306 CG LEU A 25 -4.298 -10.064 0.161 1.00 0.00 C ATOM 307 CD1 LEU A 25 -4.174 -8.995 1.235 1.00 0.00 C ATOM 308 CD2 LEU A 25 -5.667 -10.000 -0.503 1.00 0.00 C ATOM 0 H LEU A 25 -1.709 -11.555 0.234 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.598 -11.753 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.328 -9.446 -0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.536 -9.217 -1.649 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.191 -11.040 0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.971 -9.121 1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.208 -9.087 1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.254 -8.009 0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.444 -10.112 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.784 -9.039 -1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.754 -10.803 -1.235 1.00 0.00 H new ATOM 320 N PHE A 26 -0.571 -11.150 -2.676 1.00 0.00 N ATOM 321 CA PHE A 26 0.361 -10.880 -3.765 1.00 0.00 C ATOM 322 C PHE A 26 1.222 -12.104 -4.061 1.00 0.00 C ATOM 323 O PHE A 26 2.347 -12.217 -3.574 1.00 0.00 O ATOM 324 CB PHE A 26 1.253 -9.687 -3.416 1.00 0.00 C ATOM 325 CG PHE A 26 0.496 -8.513 -2.863 1.00 0.00 C ATOM 326 CD1 PHE A 26 0.176 -8.451 -1.516 1.00 0.00 C ATOM 327 CD2 PHE A 26 0.104 -7.473 -3.690 1.00 0.00 C ATOM 328 CE1 PHE A 26 -0.520 -7.372 -1.004 1.00 0.00 C ATOM 329 CE2 PHE A 26 -0.592 -6.392 -3.184 1.00 0.00 C ATOM 330 CZ PHE A 26 -0.906 -6.342 -1.839 1.00 0.00 C ATOM 0 H PHE A 26 -0.145 -11.573 -1.851 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.220 -10.643 -4.656 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.000 -10.003 -2.688 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.792 -9.373 -4.310 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.474 -9.255 -0.859 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.345 -7.508 -4.742 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.762 -7.335 0.048 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.890 -5.587 -3.839 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.452 -5.499 -1.442 1.00 0.00 H new ATOM 340 N ASP A 27 0.685 -13.018 -4.861 1.00 0.00 N ATOM 341 CA ASP A 27 1.403 -14.234 -5.224 1.00 0.00 C ATOM 342 C ASP A 27 2.126 -14.819 -4.014 1.00 0.00 C ATOM 343 O ASP A 27 3.213 -15.382 -4.140 1.00 0.00 O ATOM 344 CB ASP A 27 2.406 -13.946 -6.342 1.00 0.00 C ATOM 345 CG ASP A 27 1.745 -13.854 -7.703 1.00 0.00 C ATOM 346 OD1 ASP A 27 1.328 -12.741 -8.087 1.00 0.00 O ATOM 347 OD2 ASP A 27 1.645 -14.895 -8.385 1.00 0.00 O ATOM 0 H ASP A 27 -0.246 -12.940 -5.271 1.00 0.00 H new ATOM 0 HA ASP A 27 0.675 -14.964 -5.579 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.924 -13.011 -6.129 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.161 -14.732 -6.360 1.00 0.00 H new ATOM 352 N GLY A 28 1.515 -14.680 -2.841 1.00 0.00 N ATOM 353 CA GLY A 28 2.115 -15.199 -1.626 1.00 0.00 C ATOM 354 C GLY A 28 3.625 -15.070 -1.624 1.00 0.00 C ATOM 355 O GLY A 28 4.340 -16.061 -1.774 1.00 0.00 O ATOM 0 H GLY A 28 0.615 -14.217 -2.711 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.707 -14.667 -0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.843 -16.248 -1.510 1.00 0.00 H new ATOM 359 N VAL A 29 4.113 -13.845 -1.457 1.00 0.00 N ATOM 360 CA VAL A 29 5.548 -13.590 -1.437 1.00 0.00 C ATOM 361 C VAL A 29 5.908 -12.552 -0.380 1.00 0.00 C ATOM 362 O VAL A 29 5.157 -11.606 -0.141 1.00 0.00 O ATOM 363 CB VAL A 29 6.051 -13.103 -2.810 1.00 0.00 C ATOM 364 CG1 VAL A 29 7.439 -12.495 -2.685 1.00 0.00 C ATOM 365 CG2 VAL A 29 6.048 -14.246 -3.814 1.00 0.00 C ATOM 0 H VAL A 29 3.535 -13.014 -1.334 1.00 0.00 H new ATOM 0 HA VAL A 29 6.033 -14.535 -1.194 1.00 0.00 H new ATOM 0 HB VAL A 29 5.374 -12.330 -3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.778 -12.157 -3.664 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.405 -11.648 -2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.131 -13.244 -2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.406 -13.884 -4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.702 -15.043 -3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.034 -14.631 -3.925 1.00 0.00 H new ATOM 375 N LYS A 30 7.062 -12.735 0.252 1.00 0.00 N ATOM 376 CA LYS A 30 7.524 -11.814 1.284 1.00 0.00 C ATOM 377 C LYS A 30 7.925 -10.474 0.677 1.00 0.00 C ATOM 378 O LYS A 30 7.372 -9.431 1.027 1.00 0.00 O ATOM 379 CB LYS A 30 8.709 -12.418 2.042 1.00 0.00 C ATOM 380 CG LYS A 30 8.324 -13.567 2.958 1.00 0.00 C ATOM 381 CD LYS A 30 9.548 -14.298 3.480 1.00 0.00 C ATOM 382 CE LYS A 30 10.179 -13.563 4.653 1.00 0.00 C ATOM 383 NZ LYS A 30 9.415 -13.771 5.914 1.00 0.00 N ATOM 0 H LYS A 30 7.695 -13.513 0.068 1.00 0.00 H new ATOM 0 HA LYS A 30 6.703 -11.646 1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.448 -12.770 1.322 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.187 -11.637 2.634 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.742 -13.185 3.797 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.685 -14.265 2.418 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.267 -15.305 3.789 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.280 -14.403 2.679 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.204 -13.908 4.788 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.228 -12.497 4.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.931 -13.340 6.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.478 -13.329 5.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.302 -14.790 6.088 1.00 0.00 H new ATOM 397 N LYS A 31 8.891 -10.508 -0.236 1.00 0.00 N ATOM 398 CA LYS A 31 9.365 -9.296 -0.894 1.00 0.00 C ATOM 399 C LYS A 31 8.920 -9.260 -2.353 1.00 0.00 C ATOM 400 O LYS A 31 9.029 -10.255 -3.070 1.00 0.00 O ATOM 401 CB LYS A 31 10.890 -9.210 -0.813 1.00 0.00 C ATOM 402 CG LYS A 31 11.400 -8.679 0.516 1.00 0.00 C ATOM 403 CD LYS A 31 12.917 -8.726 0.590 1.00 0.00 C ATOM 404 CE LYS A 31 13.458 -7.706 1.581 1.00 0.00 C ATOM 405 NZ LYS A 31 13.405 -8.210 2.981 1.00 0.00 N ATOM 0 H LYS A 31 9.361 -11.362 -0.537 1.00 0.00 H new ATOM 0 HA LYS A 31 8.931 -8.439 -0.378 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.311 -10.201 -0.984 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.252 -8.567 -1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.060 -7.653 0.653 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.977 -9.267 1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.237 -9.726 0.884 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.337 -8.534 -0.397 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.488 -7.460 1.323 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.881 -6.784 1.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.304 -7.999 3.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.625 -7.745 3.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.249 -9.238 2.974 1.00 0.00 H new ATOM 419 N HIS A 32 8.419 -8.107 -2.786 1.00 0.00 N ATOM 420 CA HIS A 32 7.960 -7.942 -4.160 1.00 0.00 C ATOM 421 C HIS A 32 8.652 -6.755 -4.825 1.00 0.00 C ATOM 422 O HIS A 32 8.601 -5.634 -4.321 1.00 0.00 O ATOM 423 CB HIS A 32 6.444 -7.747 -4.194 1.00 0.00 C ATOM 424 CG HIS A 32 5.710 -8.592 -3.199 1.00 0.00 C ATOM 425 ND1 HIS A 32 5.531 -8.437 -1.866 1.00 0.00 N flip ATOM 426 CD2 HIS A 32 5.054 -9.757 -3.539 1.00 0.00 C flip ATOM 427 CE1 HIS A 32 4.777 -9.499 -1.430 1.00 0.00 C flip ATOM 428 NE2 HIS A 32 4.503 -10.280 -2.459 1.00 0.00 N flip ATOM 0 H HIS A 32 8.321 -7.274 -2.205 1.00 0.00 H new ATOM 0 HA HIS A 32 8.215 -8.846 -4.713 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.216 -6.698 -4.006 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.078 -7.978 -5.195 1.00 0.00 H new ATOM 0 HD1 HIS A 32 5.889 -7.674 -1.292 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.000 -10.176 -4.533 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.460 -9.668 -0.412 1.00 0.00 H new ATOM 437 N GLN A 33 9.297 -7.012 -5.958 1.00 0.00 N ATOM 438 CA GLN A 33 10.000 -5.965 -6.690 1.00 0.00 C ATOM 439 C GLN A 33 9.029 -5.143 -7.532 1.00 0.00 C ATOM 440 O GLN A 33 8.401 -5.661 -8.456 1.00 0.00 O ATOM 441 CB GLN A 33 11.080 -6.575 -7.585 1.00 0.00 C ATOM 442 CG GLN A 33 12.274 -7.117 -6.816 1.00 0.00 C ATOM 443 CD GLN A 33 12.967 -8.254 -7.539 1.00 0.00 C ATOM 444 OE1 GLN A 33 12.550 -8.661 -8.624 1.00 0.00 O ATOM 445 NE2 GLN A 33 14.033 -8.774 -6.941 1.00 0.00 N ATOM 0 H GLN A 33 9.347 -7.935 -6.389 1.00 0.00 H new ATOM 0 HA GLN A 33 10.472 -5.304 -5.963 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.640 -7.381 -8.172 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.425 -5.819 -8.290 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.988 -6.311 -6.646 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.944 -7.462 -5.836 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.344 -8.406 -6.042 1.00 0.00 H new ATOM 0 HE22 GLN A 33 14.541 -9.541 -7.381 1.00 0.00 H new ATOM 454 N VAL A 34 8.911 -3.860 -7.206 1.00 0.00 N ATOM 455 CA VAL A 34 8.017 -2.966 -7.933 1.00 0.00 C ATOM 456 C VAL A 34 8.799 -2.033 -8.850 1.00 0.00 C ATOM 457 O VAL A 34 9.854 -1.521 -8.478 1.00 0.00 O ATOM 458 CB VAL A 34 7.161 -2.123 -6.969 1.00 0.00 C ATOM 459 CG1 VAL A 34 6.179 -1.258 -7.744 1.00 0.00 C ATOM 460 CG2 VAL A 34 6.429 -3.021 -5.983 1.00 0.00 C ATOM 0 H VAL A 34 9.423 -3.416 -6.444 1.00 0.00 H new ATOM 0 HA VAL A 34 7.361 -3.595 -8.534 1.00 0.00 H new ATOM 0 HB VAL A 34 7.822 -1.465 -6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.583 -0.670 -7.046 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.728 -0.589 -8.406 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.521 -1.895 -8.336 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.829 -2.409 -5.310 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.779 -3.705 -6.528 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.154 -3.593 -5.404 1.00 0.00 H new ATOM 470 N ALA A 35 8.273 -1.815 -10.051 1.00 0.00 N ATOM 471 CA ALA A 35 8.921 -0.940 -11.021 1.00 0.00 C ATOM 472 C ALA A 35 7.916 0.014 -11.656 1.00 0.00 C ATOM 473 O ALA A 35 7.287 -0.310 -12.665 1.00 0.00 O ATOM 474 CB ALA A 35 9.618 -1.765 -12.092 1.00 0.00 C ATOM 0 H ALA A 35 7.400 -2.232 -10.375 1.00 0.00 H new ATOM 0 HA ALA A 35 9.666 -0.343 -10.495 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.098 -1.099 -12.810 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.371 -2.402 -11.628 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.885 -2.386 -12.607 1.00 0.00 H new ATOM 480 N LEU A 36 7.767 1.192 -11.061 1.00 0.00 N ATOM 481 CA LEU A 36 6.837 2.195 -11.568 1.00 0.00 C ATOM 482 C LEU A 36 7.348 2.802 -12.871 1.00 0.00 C ATOM 483 O LEU A 36 8.553 2.910 -13.104 1.00 0.00 O ATOM 484 CB LEU A 36 6.625 3.296 -10.528 1.00 0.00 C ATOM 485 CG LEU A 36 6.453 2.829 -9.082 1.00 0.00 C ATOM 486 CD1 LEU A 36 6.737 3.968 -8.116 1.00 0.00 C ATOM 487 CD2 LEU A 36 5.051 2.279 -8.863 1.00 0.00 C ATOM 0 H LEU A 36 8.279 1.477 -10.226 1.00 0.00 H new ATOM 0 HA LEU A 36 5.884 1.704 -11.766 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.475 3.977 -10.570 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.743 3.870 -10.811 1.00 0.00 H new ATOM 0 HG LEU A 36 7.170 2.030 -8.890 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.610 3.617 -7.092 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.760 4.317 -8.255 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.045 4.788 -8.307 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.946 1.951 -7.829 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.318 3.058 -9.073 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.884 1.434 -9.530 1.00 0.00 H new ATOM 499 N PRO A 37 6.413 3.210 -13.741 1.00 0.00 N ATOM 500 CA PRO A 37 6.745 3.816 -15.034 1.00 0.00 C ATOM 501 C PRO A 37 7.352 5.207 -14.883 1.00 0.00 C ATOM 502 O PRO A 37 7.613 5.664 -13.771 1.00 0.00 O ATOM 503 CB PRO A 37 5.392 3.898 -15.745 1.00 0.00 C ATOM 504 CG PRO A 37 4.388 3.943 -14.646 1.00 0.00 C ATOM 505 CD PRO A 37 4.959 3.113 -13.530 1.00 0.00 C ATOM 0 HA PRO A 37 7.492 3.237 -15.576 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.329 4.785 -16.375 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.232 3.036 -16.392 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.212 4.968 -14.320 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.429 3.545 -14.977 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.668 3.499 -12.553 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.614 2.080 -13.580 1.00 0.00 H new ATOM 513 N GLY A 38 7.575 5.876 -16.011 1.00 0.00 N ATOM 514 CA GLY A 38 8.150 7.208 -15.982 1.00 0.00 C ATOM 515 C GLY A 38 7.190 8.265 -16.492 1.00 0.00 C ATOM 516 O GLY A 38 6.703 8.177 -17.619 1.00 0.00 O ATOM 0 H GLY A 38 7.368 5.519 -16.944 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.444 7.451 -14.961 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.056 7.222 -16.587 1.00 0.00 H new ATOM 520 N GLN A 39 6.917 9.265 -15.660 1.00 0.00 N ATOM 521 CA GLN A 39 6.007 10.341 -16.034 1.00 0.00 C ATOM 522 C GLN A 39 6.479 11.675 -15.464 1.00 0.00 C ATOM 523 O GLN A 39 7.321 11.714 -14.568 1.00 0.00 O ATOM 524 CB GLN A 39 4.592 10.035 -15.541 1.00 0.00 C ATOM 525 CG GLN A 39 4.549 9.448 -14.139 1.00 0.00 C ATOM 526 CD GLN A 39 3.209 9.652 -13.461 1.00 0.00 C ATOM 527 OE1 GLN A 39 2.220 9.998 -14.108 1.00 0.00 O ATOM 528 NE2 GLN A 39 3.169 9.439 -12.151 1.00 0.00 N ATOM 0 H GLN A 39 7.312 9.352 -14.724 1.00 0.00 H new ATOM 0 HA GLN A 39 5.998 10.414 -17.122 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.003 10.952 -15.560 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.118 9.338 -16.232 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.768 8.381 -14.189 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.331 9.906 -13.534 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.013 9.153 -11.655 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.294 9.561 -11.641 1.00 0.00 H new ATOM 537 N GLU A 40 5.931 12.765 -15.992 1.00 0.00 N ATOM 538 CA GLU A 40 6.297 14.101 -15.536 1.00 0.00 C ATOM 539 C GLU A 40 6.089 14.238 -14.030 1.00 0.00 C ATOM 540 O GLU A 40 6.889 14.866 -13.338 1.00 0.00 O ATOM 541 CB GLU A 40 5.476 15.160 -16.274 1.00 0.00 C ATOM 542 CG GLU A 40 6.100 15.611 -17.584 1.00 0.00 C ATOM 543 CD GLU A 40 6.206 14.487 -18.597 1.00 0.00 C ATOM 544 OE1 GLU A 40 7.199 13.732 -18.544 1.00 0.00 O ATOM 545 OE2 GLU A 40 5.296 14.364 -19.443 1.00 0.00 O ATOM 0 H GLU A 40 5.233 12.749 -16.735 1.00 0.00 H new ATOM 0 HA GLU A 40 7.354 14.254 -15.755 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.481 14.762 -16.473 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.349 16.026 -15.625 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.505 16.421 -18.006 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.094 16.014 -17.389 1.00 0.00 H new ATOM 552 N GLU A 41 5.008 13.647 -13.532 1.00 0.00 N ATOM 553 CA GLU A 41 4.694 13.704 -12.109 1.00 0.00 C ATOM 554 C GLU A 41 5.291 12.510 -11.371 1.00 0.00 C ATOM 555 O GLU A 41 5.197 11.364 -11.813 1.00 0.00 O ATOM 556 CB GLU A 41 3.179 13.741 -11.900 1.00 0.00 C ATOM 557 CG GLU A 41 2.538 15.054 -12.319 1.00 0.00 C ATOM 558 CD GLU A 41 1.094 14.888 -12.749 1.00 0.00 C ATOM 559 OE1 GLU A 41 0.205 14.935 -11.872 1.00 0.00 O ATOM 560 OE2 GLU A 41 0.852 14.710 -13.961 1.00 0.00 O ATOM 0 H GLU A 41 4.335 13.124 -14.092 1.00 0.00 H new ATOM 0 HA GLU A 41 5.132 14.616 -11.703 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.723 12.928 -12.464 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.961 13.560 -10.847 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.587 15.759 -11.489 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.110 15.487 -13.140 1.00 0.00 H new ATOM 567 N PRO A 42 5.922 12.782 -10.219 1.00 0.00 N ATOM 568 CA PRO A 42 6.547 11.743 -9.395 1.00 0.00 C ATOM 569 C PRO A 42 5.520 10.833 -8.731 1.00 0.00 C ATOM 570 O PRO A 42 4.519 11.303 -8.190 1.00 0.00 O ATOM 571 CB PRO A 42 7.315 12.543 -8.339 1.00 0.00 C ATOM 572 CG PRO A 42 6.593 13.843 -8.249 1.00 0.00 C ATOM 573 CD PRO A 42 6.073 14.124 -9.632 1.00 0.00 C ATOM 0 HA PRO A 42 7.175 11.077 -9.986 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.322 12.027 -7.379 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.355 12.687 -8.631 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.777 13.787 -7.529 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.260 14.637 -7.914 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.124 14.659 -9.603 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.768 14.738 -10.206 1.00 0.00 H new ATOM 581 N TRP A 43 5.775 9.530 -8.775 1.00 0.00 N ATOM 582 CA TRP A 43 4.871 8.554 -8.177 1.00 0.00 C ATOM 583 C TRP A 43 4.724 8.796 -6.679 1.00 0.00 C ATOM 584 O TRP A 43 5.677 8.630 -5.917 1.00 0.00 O ATOM 585 CB TRP A 43 5.381 7.135 -8.430 1.00 0.00 C ATOM 586 CG TRP A 43 4.934 6.568 -9.743 1.00 0.00 C ATOM 587 CD1 TRP A 43 5.550 6.718 -10.953 1.00 0.00 C ATOM 588 CD2 TRP A 43 3.773 5.763 -9.979 1.00 0.00 C ATOM 589 NE1 TRP A 43 4.842 6.055 -11.926 1.00 0.00 N ATOM 590 CE2 TRP A 43 3.749 5.460 -11.354 1.00 0.00 C ATOM 591 CE3 TRP A 43 2.754 5.267 -9.162 1.00 0.00 C ATOM 592 CZ2 TRP A 43 2.744 4.685 -11.928 1.00 0.00 C ATOM 593 CZ3 TRP A 43 1.757 4.499 -9.733 1.00 0.00 C ATOM 594 CH2 TRP A 43 1.759 4.213 -11.105 1.00 0.00 C ATOM 0 H TRP A 43 6.600 9.125 -9.218 1.00 0.00 H new ATOM 0 HA TRP A 43 3.892 8.668 -8.642 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.470 7.137 -8.395 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.037 6.484 -7.626 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.460 7.276 -11.120 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.090 6.013 -12.914 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.746 5.480 -8.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.743 4.465 -12.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.963 4.113 -9.111 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.967 3.608 -11.521 1.00 0.00 H new ATOM 605 N ASP A 44 3.524 9.187 -6.262 1.00 0.00 N ATOM 606 CA ASP A 44 3.253 9.450 -4.853 1.00 0.00 C ATOM 607 C ASP A 44 2.533 8.269 -4.209 1.00 0.00 C ATOM 608 O ASP A 44 2.078 7.356 -4.899 1.00 0.00 O ATOM 609 CB ASP A 44 2.412 10.719 -4.702 1.00 0.00 C ATOM 610 CG ASP A 44 2.047 11.003 -3.259 1.00 0.00 C ATOM 611 OD1 ASP A 44 2.888 11.579 -2.536 1.00 0.00 O ATOM 612 OD2 ASP A 44 0.921 10.650 -2.851 1.00 0.00 O ATOM 0 H ASP A 44 2.724 9.329 -6.879 1.00 0.00 H new ATOM 0 HA ASP A 44 4.207 9.592 -4.345 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.963 11.567 -5.108 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.501 10.620 -5.291 1.00 0.00 H new ATOM 617 N ILE A 45 2.436 8.293 -2.884 1.00 0.00 N ATOM 618 CA ILE A 45 1.772 7.225 -2.148 1.00 0.00 C ATOM 619 C ILE A 45 0.329 7.053 -2.609 1.00 0.00 C ATOM 620 O ILE A 45 -0.180 5.935 -2.687 1.00 0.00 O ATOM 621 CB ILE A 45 1.786 7.493 -0.632 1.00 0.00 C ATOM 622 CG1 ILE A 45 3.226 7.583 -0.121 1.00 0.00 C ATOM 623 CG2 ILE A 45 1.024 6.403 0.107 1.00 0.00 C ATOM 624 CD1 ILE A 45 3.985 6.279 -0.220 1.00 0.00 C ATOM 0 H ILE A 45 2.809 9.040 -2.299 1.00 0.00 H new ATOM 0 HA ILE A 45 2.327 6.310 -2.352 1.00 0.00 H new ATOM 0 HB ILE A 45 1.292 8.446 -0.443 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.757 8.347 -0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.214 7.909 0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.043 6.607 1.178 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.009 6.382 -0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.491 5.437 -0.087 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.997 6.417 0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.477 5.517 0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.029 5.962 -1.262 1.00 0.00 H new ATOM 636 N ARG A 46 -0.325 8.169 -2.916 1.00 0.00 N ATOM 637 CA ARG A 46 -1.710 8.143 -3.370 1.00 0.00 C ATOM 638 C ARG A 46 -1.855 7.283 -4.622 1.00 0.00 C ATOM 639 O ARG A 46 -2.813 6.524 -4.758 1.00 0.00 O ATOM 640 CB ARG A 46 -2.203 9.563 -3.654 1.00 0.00 C ATOM 641 CG ARG A 46 -1.520 10.219 -4.843 1.00 0.00 C ATOM 642 CD ARG A 46 -1.471 11.731 -4.693 1.00 0.00 C ATOM 643 NE ARG A 46 -2.789 12.340 -4.855 1.00 0.00 N ATOM 644 CZ ARG A 46 -3.123 13.516 -4.337 1.00 0.00 C ATOM 645 NH1 ARG A 46 -2.242 14.207 -3.628 1.00 0.00 N ATOM 646 NH2 ARG A 46 -4.343 14.004 -4.528 1.00 0.00 N ATOM 0 H ARG A 46 0.082 9.102 -2.858 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.318 7.707 -2.577 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.278 9.536 -3.833 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.042 10.178 -2.769 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.507 9.829 -4.943 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.053 9.960 -5.758 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.072 11.985 -3.711 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.786 12.147 -5.432 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.491 11.834 -5.395 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.304 13.836 -3.479 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.502 15.110 -3.232 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.024 13.475 -5.073 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.599 14.907 -4.130 1.00 0.00 H new ATOM 660 N ASN A 47 -0.896 7.409 -5.535 1.00 0.00 N ATOM 661 CA ASN A 47 -0.918 6.644 -6.776 1.00 0.00 C ATOM 662 C ASN A 47 -0.396 5.228 -6.552 1.00 0.00 C ATOM 663 O ASN A 47 -1.009 4.253 -6.989 1.00 0.00 O ATOM 664 CB ASN A 47 -0.078 7.346 -7.846 1.00 0.00 C ATOM 665 CG ASN A 47 -0.645 8.699 -8.231 1.00 0.00 C ATOM 666 OD1 ASN A 47 -1.758 8.793 -8.748 1.00 0.00 O ATOM 667 ND2 ASN A 47 0.121 9.754 -7.980 1.00 0.00 N ATOM 0 H ASN A 47 -0.095 8.033 -5.438 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.951 6.581 -7.117 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.940 7.473 -7.479 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.021 6.714 -8.732 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.207 10.690 -8.217 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.037 9.628 -7.550 1.00 0.00 H new ATOM 674 N LEU A 48 0.738 5.123 -5.869 1.00 0.00 N ATOM 675 CA LEU A 48 1.343 3.826 -5.586 1.00 0.00 C ATOM 676 C LEU A 48 0.275 2.789 -5.251 1.00 0.00 C ATOM 677 O LEU A 48 0.261 1.693 -5.813 1.00 0.00 O ATOM 678 CB LEU A 48 2.335 3.946 -4.428 1.00 0.00 C ATOM 679 CG LEU A 48 3.476 2.928 -4.414 1.00 0.00 C ATOM 680 CD1 LEU A 48 4.546 3.312 -5.425 1.00 0.00 C ATOM 681 CD2 LEU A 48 4.075 2.817 -3.019 1.00 0.00 C ATOM 0 H LEU A 48 1.257 5.920 -5.501 1.00 0.00 H new ATOM 0 HA LEU A 48 1.875 3.498 -6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.767 4.946 -4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.783 3.856 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 48 3.072 1.955 -4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.350 2.576 -5.401 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.110 3.340 -6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.946 4.295 -5.176 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.885 2.088 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.464 3.788 -2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.306 2.495 -2.317 1.00 0.00 H new ATOM 693 N LEU A 49 -0.618 3.142 -4.333 1.00 0.00 N ATOM 694 CA LEU A 49 -1.691 2.243 -3.924 1.00 0.00 C ATOM 695 C LEU A 49 -2.356 1.601 -5.138 1.00 0.00 C ATOM 696 O LEU A 49 -2.558 0.387 -5.179 1.00 0.00 O ATOM 697 CB LEU A 49 -2.733 3.002 -3.100 1.00 0.00 C ATOM 698 CG LEU A 49 -2.512 3.015 -1.587 1.00 0.00 C ATOM 699 CD1 LEU A 49 -2.303 1.602 -1.066 1.00 0.00 C ATOM 700 CD2 LEU A 49 -1.326 3.899 -1.229 1.00 0.00 C ATOM 0 H LEU A 49 -0.620 4.045 -3.858 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.256 1.454 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.764 4.033 -3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.712 2.567 -3.300 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.403 3.427 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.147 1.631 0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.182 0.998 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.429 1.162 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.183 3.896 -0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.428 3.517 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.516 4.918 -1.567 1.00 0.00 H new ATOM 712 N VAL A 50 -2.691 2.424 -6.127 1.00 0.00 N ATOM 713 CA VAL A 50 -3.330 1.936 -7.344 1.00 0.00 C ATOM 714 C VAL A 50 -2.546 0.776 -7.948 1.00 0.00 C ATOM 715 O VAL A 50 -3.028 -0.356 -7.991 1.00 0.00 O ATOM 716 CB VAL A 50 -3.463 3.054 -8.394 1.00 0.00 C ATOM 717 CG1 VAL A 50 -4.140 2.529 -9.651 1.00 0.00 C ATOM 718 CG2 VAL A 50 -4.230 4.236 -7.820 1.00 0.00 C ATOM 0 H VAL A 50 -2.531 3.431 -6.109 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.325 1.591 -7.064 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.464 3.395 -8.664 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.225 3.334 -10.381 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.546 1.718 -10.072 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.134 2.159 -9.401 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.314 5.017 -8.576 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.227 3.912 -7.520 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.699 4.627 -6.952 1.00 0.00 H new ATOM 728 N TRP A 51 -1.337 1.066 -8.415 1.00 0.00 N ATOM 729 CA TRP A 51 -0.486 0.046 -9.017 1.00 0.00 C ATOM 730 C TRP A 51 -0.387 -1.181 -8.118 1.00 0.00 C ATOM 731 O TRP A 51 -0.760 -2.285 -8.516 1.00 0.00 O ATOM 732 CB TRP A 51 0.910 0.611 -9.285 1.00 0.00 C ATOM 733 CG TRP A 51 1.754 -0.277 -10.148 1.00 0.00 C ATOM 734 CD1 TRP A 51 1.978 -0.145 -11.489 1.00 0.00 C ATOM 735 CD2 TRP A 51 2.486 -1.435 -9.729 1.00 0.00 C ATOM 736 NE1 TRP A 51 2.804 -1.151 -11.929 1.00 0.00 N ATOM 737 CE2 TRP A 51 3.131 -1.955 -10.868 1.00 0.00 C ATOM 738 CE3 TRP A 51 2.660 -2.081 -8.503 1.00 0.00 C ATOM 739 CZ2 TRP A 51 3.934 -3.091 -10.815 1.00 0.00 C ATOM 740 CZ3 TRP A 51 3.458 -3.209 -8.451 1.00 0.00 C ATOM 741 CH2 TRP A 51 4.087 -3.704 -9.601 1.00 0.00 C ATOM 0 H TRP A 51 -0.924 1.998 -8.388 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.936 -0.256 -9.963 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.814 1.586 -9.763 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.418 0.771 -8.334 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.566 0.635 -12.112 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.122 -1.279 -12.890 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.180 -1.706 -7.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.419 -3.475 -11.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.599 -3.717 -7.508 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.705 -4.587 -9.528 1.00 0.00 H new ATOM 752 N ILE A 52 0.116 -0.981 -6.905 1.00 0.00 N ATOM 753 CA ILE A 52 0.262 -2.073 -5.949 1.00 0.00 C ATOM 754 C ILE A 52 -1.057 -2.813 -5.755 1.00 0.00 C ATOM 755 O ILE A 52 -1.075 -4.021 -5.520 1.00 0.00 O ATOM 756 CB ILE A 52 0.758 -1.563 -4.583 1.00 0.00 C ATOM 757 CG1 ILE A 52 2.161 -0.967 -4.716 1.00 0.00 C ATOM 758 CG2 ILE A 52 0.749 -2.690 -3.562 1.00 0.00 C ATOM 759 CD1 ILE A 52 2.709 -0.416 -3.418 1.00 0.00 C ATOM 0 H ILE A 52 0.429 -0.074 -6.560 1.00 0.00 H new ATOM 0 HA ILE A 52 1.003 -2.758 -6.362 1.00 0.00 H new ATOM 0 HB ILE A 52 0.083 -0.781 -4.236 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.839 -1.734 -5.091 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.139 -0.170 -5.459 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.102 -2.314 -2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.266 -3.072 -3.451 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.404 -3.493 -3.900 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.706 -0.010 -3.587 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.053 0.374 -3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.763 -1.214 -2.678 1.00 0.00 H new ATOM 771 N LYS A 53 -2.160 -2.080 -5.856 1.00 0.00 N ATOM 772 CA LYS A 53 -3.486 -2.666 -5.694 1.00 0.00 C ATOM 773 C LYS A 53 -3.966 -3.293 -6.999 1.00 0.00 C ATOM 774 O LYS A 53 -4.957 -4.023 -7.022 1.00 0.00 O ATOM 775 CB LYS A 53 -4.483 -1.602 -5.229 1.00 0.00 C ATOM 776 CG LYS A 53 -4.329 -1.222 -3.767 1.00 0.00 C ATOM 777 CD LYS A 53 -5.049 0.078 -3.450 1.00 0.00 C ATOM 778 CE LYS A 53 -6.546 -0.041 -3.694 1.00 0.00 C ATOM 779 NZ LYS A 53 -6.909 0.311 -5.095 1.00 0.00 N ATOM 0 H LYS A 53 -2.163 -1.078 -6.049 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.421 -3.448 -4.938 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.361 -0.709 -5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.496 -1.968 -5.396 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.724 -2.020 -3.139 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.271 -1.121 -3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.869 0.351 -2.410 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.642 0.880 -4.065 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.869 -1.060 -3.480 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.080 0.614 -3.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.690 0.998 -5.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.085 0.728 -5.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.206 -0.547 -5.603 1.00 0.00 H new ATOM 793 N LYS A 54 -3.257 -3.004 -8.085 1.00 0.00 N ATOM 794 CA LYS A 54 -3.609 -3.541 -9.394 1.00 0.00 C ATOM 795 C LYS A 54 -2.568 -4.552 -9.865 1.00 0.00 C ATOM 796 O LYS A 54 -2.829 -5.754 -9.902 1.00 0.00 O ATOM 797 CB LYS A 54 -3.734 -2.409 -10.416 1.00 0.00 C ATOM 798 CG LYS A 54 -4.846 -1.424 -10.099 1.00 0.00 C ATOM 799 CD LYS A 54 -6.155 -1.831 -10.755 1.00 0.00 C ATOM 800 CE LYS A 54 -7.317 -0.993 -10.246 1.00 0.00 C ATOM 801 NZ LYS A 54 -7.472 0.269 -11.021 1.00 0.00 N ATOM 0 H LYS A 54 -2.435 -2.400 -8.084 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.569 -4.049 -9.304 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.787 -1.871 -10.468 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.911 -2.839 -11.402 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.983 -1.363 -9.019 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.561 -0.429 -10.441 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.071 -1.720 -11.836 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.351 -2.885 -10.557 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.238 -1.573 -10.308 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.160 -0.756 -9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.275 0.812 -10.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.603 0.835 -10.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.647 0.043 -12.021 1.00 0.00 H new ATOM 815 N ASN A 55 -1.388 -4.057 -10.223 1.00 0.00 N ATOM 816 CA ASN A 55 -0.307 -4.918 -10.691 1.00 0.00 C ATOM 817 C ASN A 55 0.016 -5.994 -9.659 1.00 0.00 C ATOM 818 O ASN A 55 -0.340 -7.161 -9.830 1.00 0.00 O ATOM 819 CB ASN A 55 0.943 -4.087 -10.987 1.00 0.00 C ATOM 820 CG ASN A 55 0.888 -3.425 -12.350 1.00 0.00 C ATOM 821 OD1 ASN A 55 1.714 -3.701 -13.220 1.00 0.00 O ATOM 822 ND2 ASN A 55 -0.089 -2.546 -12.542 1.00 0.00 N ATOM 0 H ASN A 55 -1.155 -3.064 -10.198 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.636 -5.406 -11.608 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.058 -3.322 -10.219 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.823 -4.728 -10.933 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.177 -2.069 -13.439 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.752 -2.348 -11.792 1.00 0.00 H new ATOM 829 N LEU A 56 0.692 -5.594 -8.587 1.00 0.00 N ATOM 830 CA LEU A 56 1.063 -6.524 -7.526 1.00 0.00 C ATOM 831 C LEU A 56 -0.153 -7.301 -7.033 1.00 0.00 C ATOM 832 O LEU A 56 -0.231 -8.520 -7.193 1.00 0.00 O ATOM 833 CB LEU A 56 1.706 -5.768 -6.362 1.00 0.00 C ATOM 834 CG LEU A 56 2.768 -6.533 -5.570 1.00 0.00 C ATOM 835 CD1 LEU A 56 4.098 -6.516 -6.307 1.00 0.00 C ATOM 836 CD2 LEU A 56 2.921 -5.944 -4.176 1.00 0.00 C ATOM 0 H LEU A 56 0.994 -4.633 -8.430 1.00 0.00 H new ATOM 0 HA LEU A 56 1.783 -7.234 -7.933 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.159 -4.857 -6.753 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.918 -5.462 -5.674 1.00 0.00 H new ATOM 0 HG LEU A 56 2.444 -7.569 -5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.841 -7.065 -5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.979 -6.985 -7.284 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.428 -5.486 -6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.681 -6.501 -3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.222 -4.899 -4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.970 -6.009 -3.647 1.00 0.00 H new ATOM 848 N LEU A 57 -1.101 -6.588 -6.434 1.00 0.00 N ATOM 849 CA LEU A 57 -2.316 -7.211 -5.919 1.00 0.00 C ATOM 850 C LEU A 57 -2.975 -8.082 -6.984 1.00 0.00 C ATOM 851 O LEU A 57 -3.082 -7.688 -8.145 1.00 0.00 O ATOM 852 CB LEU A 57 -3.298 -6.140 -5.441 1.00 0.00 C ATOM 853 CG LEU A 57 -4.364 -6.602 -4.448 1.00 0.00 C ATOM 854 CD1 LEU A 57 -3.771 -7.581 -3.446 1.00 0.00 C ATOM 855 CD2 LEU A 57 -4.979 -5.409 -3.731 1.00 0.00 C ATOM 0 H LEU A 57 -1.052 -5.579 -6.293 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.041 -7.845 -5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.728 -5.332 -4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.800 -5.721 -6.313 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.152 -7.113 -5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.544 -7.899 -2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.380 -8.450 -3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.963 -7.096 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.736 -5.757 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.202 -4.870 -3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.441 -4.744 -4.461 1.00 0.00 H new ATOM 867 N LYS A 58 -3.416 -9.268 -6.580 1.00 0.00 N ATOM 868 CA LYS A 58 -4.068 -10.196 -7.497 1.00 0.00 C ATOM 869 C LYS A 58 -5.372 -10.721 -6.904 1.00 0.00 C ATOM 870 O LYS A 58 -6.315 -11.029 -7.632 1.00 0.00 O ATOM 871 CB LYS A 58 -3.135 -11.364 -7.822 1.00 0.00 C ATOM 872 CG LYS A 58 -3.862 -12.606 -8.309 1.00 0.00 C ATOM 873 CD LYS A 58 -4.409 -12.416 -9.714 1.00 0.00 C ATOM 874 CE LYS A 58 -5.542 -13.388 -10.007 1.00 0.00 C ATOM 875 NZ LYS A 58 -6.808 -12.982 -9.336 1.00 0.00 N ATOM 0 H LYS A 58 -3.334 -9.610 -5.623 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.299 -9.658 -8.416 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.423 -11.048 -8.584 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.559 -11.616 -6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.181 -13.457 -8.295 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.680 -12.841 -7.628 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.766 -11.393 -9.831 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.608 -12.559 -10.440 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.703 -13.444 -11.084 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.259 -14.387 -9.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.347 -13.830 -9.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.587 -12.430 -8.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.375 -12.402 -9.987 1.00 0.00 H new ATOM 889 N GLU A 59 -5.416 -10.820 -5.579 1.00 0.00 N ATOM 890 CA GLU A 59 -6.605 -11.308 -4.890 1.00 0.00 C ATOM 891 C GLU A 59 -7.774 -10.344 -5.072 1.00 0.00 C ATOM 892 O GLU A 59 -8.669 -10.582 -5.882 1.00 0.00 O ATOM 893 CB GLU A 59 -6.315 -11.499 -3.400 1.00 0.00 C ATOM 894 CG GLU A 59 -5.805 -12.888 -3.053 1.00 0.00 C ATOM 895 CD GLU A 59 -6.030 -13.245 -1.596 1.00 0.00 C ATOM 896 OE1 GLU A 59 -7.133 -12.967 -1.080 1.00 0.00 O ATOM 897 OE2 GLU A 59 -5.103 -13.804 -0.973 1.00 0.00 O ATOM 0 H GLU A 59 -4.643 -10.569 -4.962 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.878 -12.269 -5.326 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.578 -10.761 -3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.225 -11.303 -2.833 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.305 -13.623 -3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.740 -12.946 -3.277 1.00 0.00 H new ATOM 904 N ARG A 60 -7.758 -9.254 -4.311 1.00 0.00 N ATOM 905 CA ARG A 60 -8.817 -8.254 -4.386 1.00 0.00 C ATOM 906 C ARG A 60 -8.333 -6.909 -3.854 1.00 0.00 C ATOM 907 O ARG A 60 -7.733 -6.816 -2.783 1.00 0.00 O ATOM 908 CB ARG A 60 -10.042 -8.717 -3.595 1.00 0.00 C ATOM 909 CG ARG A 60 -10.870 -9.769 -4.314 1.00 0.00 C ATOM 910 CD ARG A 60 -11.299 -9.293 -5.693 1.00 0.00 C ATOM 911 NE ARG A 60 -12.329 -10.152 -6.272 1.00 0.00 N ATOM 912 CZ ARG A 60 -13.612 -10.093 -5.931 1.00 0.00 C ATOM 913 NH1 ARG A 60 -14.019 -9.221 -5.019 1.00 0.00 N ATOM 914 NH2 ARG A 60 -14.490 -10.907 -6.502 1.00 0.00 N ATOM 0 H ARG A 60 -7.024 -9.041 -3.636 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.094 -8.132 -5.433 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.714 -9.118 -2.636 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -10.673 -7.854 -3.381 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.291 -10.687 -4.409 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -11.752 -10.008 -3.720 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.675 -8.272 -5.624 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.433 -9.269 -6.354 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.048 -10.834 -6.976 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.347 -8.594 -4.578 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.004 -9.178 -4.759 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.181 -11.579 -7.204 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -15.474 -10.861 -6.239 1.00 0.00 H new ATOM 928 N PRO A 61 -8.598 -5.839 -4.620 1.00 0.00 N ATOM 929 CA PRO A 61 -8.198 -4.480 -4.246 1.00 0.00 C ATOM 930 C PRO A 61 -8.992 -3.948 -3.057 1.00 0.00 C ATOM 931 O PRO A 61 -8.418 -3.469 -2.081 1.00 0.00 O ATOM 932 CB PRO A 61 -8.504 -3.661 -5.503 1.00 0.00 C ATOM 933 CG PRO A 61 -9.577 -4.425 -6.199 1.00 0.00 C ATOM 934 CD PRO A 61 -9.308 -5.876 -5.909 1.00 0.00 C ATOM 0 HA PRO A 61 -7.155 -4.434 -3.934 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.836 -2.654 -5.249 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.620 -3.556 -6.132 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.562 -4.131 -5.837 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.560 -4.232 -7.272 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.232 -6.451 -5.843 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.701 -6.336 -6.689 1.00 0.00 H new ATOM 942 N GLU A 62 -10.315 -4.037 -3.148 1.00 0.00 N ATOM 943 CA GLU A 62 -11.187 -3.564 -2.079 1.00 0.00 C ATOM 944 C GLU A 62 -10.957 -4.359 -0.798 1.00 0.00 C ATOM 945 O GLU A 62 -11.151 -3.849 0.307 1.00 0.00 O ATOM 946 CB GLU A 62 -12.654 -3.671 -2.503 1.00 0.00 C ATOM 947 CG GLU A 62 -12.979 -4.953 -3.251 1.00 0.00 C ATOM 948 CD GLU A 62 -12.794 -4.817 -4.750 1.00 0.00 C ATOM 949 OE1 GLU A 62 -13.079 -3.726 -5.286 1.00 0.00 O ATOM 950 OE2 GLU A 62 -12.365 -5.802 -5.386 1.00 0.00 O ATOM 0 H GLU A 62 -10.806 -4.432 -3.950 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.948 -2.518 -1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.285 -3.607 -1.617 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.904 -2.818 -3.134 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.342 -5.756 -2.881 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.009 -5.241 -3.040 1.00 0.00 H new ATOM 957 N LEU A 63 -10.542 -5.612 -0.952 1.00 0.00 N ATOM 958 CA LEU A 63 -10.285 -6.479 0.193 1.00 0.00 C ATOM 959 C LEU A 63 -9.054 -6.013 0.964 1.00 0.00 C ATOM 960 O LEU A 63 -9.120 -5.764 2.168 1.00 0.00 O ATOM 961 CB LEU A 63 -10.094 -7.924 -0.270 1.00 0.00 C ATOM 962 CG LEU A 63 -10.536 -9.008 0.714 1.00 0.00 C ATOM 963 CD1 LEU A 63 -11.930 -8.712 1.244 1.00 0.00 C ATOM 964 CD2 LEU A 63 -10.495 -10.378 0.052 1.00 0.00 C ATOM 0 H LEU A 63 -10.376 -6.050 -1.858 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.148 -6.427 0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.643 -8.061 -1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.039 -8.075 -0.496 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.843 -9.012 1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.227 -9.494 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.928 -7.750 1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.636 -8.680 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.813 -11.137 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.165 -10.387 -0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.478 -10.593 -0.277 1.00 0.00 H new ATOM 976 N PHE A 64 -7.932 -5.895 0.261 1.00 0.00 N ATOM 977 CA PHE A 64 -6.686 -5.458 0.879 1.00 0.00 C ATOM 978 C PHE A 64 -6.794 -4.014 1.359 1.00 0.00 C ATOM 979 O PHE A 64 -6.595 -3.724 2.539 1.00 0.00 O ATOM 980 CB PHE A 64 -5.527 -5.593 -0.110 1.00 0.00 C ATOM 981 CG PHE A 64 -4.198 -5.195 0.466 1.00 0.00 C ATOM 982 CD1 PHE A 64 -3.733 -5.776 1.635 1.00 0.00 C ATOM 983 CD2 PHE A 64 -3.413 -4.242 -0.162 1.00 0.00 C ATOM 984 CE1 PHE A 64 -2.511 -5.411 2.167 1.00 0.00 C ATOM 985 CE2 PHE A 64 -2.190 -3.873 0.365 1.00 0.00 C ATOM 986 CZ PHE A 64 -1.738 -4.459 1.531 1.00 0.00 C ATOM 0 H PHE A 64 -7.861 -6.096 -0.736 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.494 -6.096 1.742 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -5.471 -6.626 -0.453 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.733 -4.978 -0.986 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.332 -6.522 2.136 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.761 -3.782 -1.075 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.160 -5.870 3.080 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.589 -3.128 -0.134 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.782 -4.174 1.945 1.00 0.00 H new ATOM 996 N ILE A 65 -7.111 -3.112 0.436 1.00 0.00 N ATOM 997 CA ILE A 65 -7.247 -1.698 0.764 1.00 0.00 C ATOM 998 C ILE A 65 -8.568 -1.138 0.248 1.00 0.00 C ATOM 999 O ILE A 65 -9.140 -1.657 -0.710 1.00 0.00 O ATOM 1000 CB ILE A 65 -6.088 -0.871 0.179 1.00 0.00 C ATOM 1001 CG1 ILE A 65 -4.761 -1.289 0.815 1.00 0.00 C ATOM 1002 CG2 ILE A 65 -6.338 0.615 0.390 1.00 0.00 C ATOM 1003 CD1 ILE A 65 -3.553 -0.967 -0.037 1.00 0.00 C ATOM 0 H ILE A 65 -7.278 -3.335 -0.545 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.224 -1.623 1.851 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.031 -1.062 -0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.658 -0.792 1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.783 -2.361 1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.510 1.186 -0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.265 0.902 -0.107 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.419 0.822 1.457 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.648 -1.291 0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.633 -1.485 -0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.506 0.108 -0.210 1.00 0.00 H new ATOM 1015 N GLN A 66 -9.045 -0.076 0.888 1.00 0.00 N ATOM 1016 CA GLN A 66 -10.298 0.555 0.492 1.00 0.00 C ATOM 1017 C GLN A 66 -10.063 1.989 0.029 1.00 0.00 C ATOM 1018 O GLN A 66 -9.827 2.884 0.840 1.00 0.00 O ATOM 1019 CB GLN A 66 -11.291 0.539 1.656 1.00 0.00 C ATOM 1020 CG GLN A 66 -12.746 0.521 1.214 1.00 0.00 C ATOM 1021 CD GLN A 66 -13.696 0.188 2.347 1.00 0.00 C ATOM 1022 OE1 GLN A 66 -13.886 0.984 3.267 1.00 0.00 O ATOM 1023 NE2 GLN A 66 -14.299 -0.994 2.286 1.00 0.00 N ATOM 0 H GLN A 66 -8.583 0.366 1.683 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.714 -0.012 -0.340 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.097 -0.336 2.276 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.120 1.416 2.280 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -13.008 1.495 0.800 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.870 -0.209 0.415 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.112 -1.622 1.505 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -14.949 -1.273 3.020 1.00 0.00 H new ATOM 1032 N GLY A 67 -10.128 2.201 -1.282 1.00 0.00 N ATOM 1033 CA GLY A 67 -9.920 3.528 -1.831 1.00 0.00 C ATOM 1034 C GLY A 67 -8.459 3.813 -2.120 1.00 0.00 C ATOM 1035 O GLY A 67 -7.620 2.914 -2.057 1.00 0.00 O ATOM 0 H GLY A 67 -10.321 1.477 -1.974 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.496 3.632 -2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -10.301 4.271 -1.131 1.00 0.00 H new ATOM 1039 N ASP A 68 -8.155 5.065 -2.440 1.00 0.00 N ATOM 1040 CA ASP A 68 -6.785 5.466 -2.741 1.00 0.00 C ATOM 1041 C ASP A 68 -5.913 5.403 -1.491 1.00 0.00 C ATOM 1042 O ASP A 68 -4.686 5.443 -1.575 1.00 0.00 O ATOM 1043 CB ASP A 68 -6.761 6.881 -3.323 1.00 0.00 C ATOM 1044 CG ASP A 68 -7.769 7.064 -4.440 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -7.430 6.755 -5.602 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -8.897 7.515 -4.153 1.00 0.00 O ATOM 0 H ASP A 68 -8.838 5.820 -2.498 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.383 4.771 -3.478 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.967 7.600 -2.530 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.762 7.099 -3.700 1.00 0.00 H new ATOM 1051 N SER A 69 -6.556 5.304 -0.331 1.00 0.00 N ATOM 1052 CA SER A 69 -5.839 5.240 0.937 1.00 0.00 C ATOM 1053 C SER A 69 -5.855 3.821 1.498 1.00 0.00 C ATOM 1054 O SER A 69 -6.761 3.038 1.214 1.00 0.00 O ATOM 1055 CB SER A 69 -6.459 6.207 1.947 1.00 0.00 C ATOM 1056 OG SER A 69 -5.715 6.232 3.152 1.00 0.00 O ATOM 0 H SER A 69 -7.572 5.266 -0.244 1.00 0.00 H new ATOM 0 HA SER A 69 -4.804 5.530 0.756 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.498 7.209 1.519 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.486 5.910 2.156 1.00 0.00 H new ATOM 0 HG SER A 69 -6.131 6.859 3.780 1.00 0.00 H new ATOM 1062 N VAL A 70 -4.844 3.497 2.299 1.00 0.00 N ATOM 1063 CA VAL A 70 -4.741 2.174 2.902 1.00 0.00 C ATOM 1064 C VAL A 70 -5.783 1.987 3.998 1.00 0.00 C ATOM 1065 O VAL A 70 -5.961 2.853 4.855 1.00 0.00 O ATOM 1066 CB VAL A 70 -3.339 1.935 3.495 1.00 0.00 C ATOM 1067 CG1 VAL A 70 -2.299 1.847 2.389 1.00 0.00 C ATOM 1068 CG2 VAL A 70 -2.986 3.036 4.485 1.00 0.00 C ATOM 0 H VAL A 70 -4.085 4.133 2.545 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.920 1.449 2.108 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.346 0.985 4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.315 1.678 2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.546 1.021 1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.289 2.779 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.993 2.852 4.895 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.996 4.000 3.976 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.716 3.045 5.294 1.00 0.00 H new ATOM 1078 N ARG A 71 -6.470 0.850 3.966 1.00 0.00 N ATOM 1079 CA ARG A 71 -7.496 0.549 4.957 1.00 0.00 C ATOM 1080 C ARG A 71 -7.044 0.967 6.353 1.00 0.00 C ATOM 1081 O ARG A 71 -5.859 1.185 6.609 1.00 0.00 O ATOM 1082 CB ARG A 71 -7.827 -0.945 4.943 1.00 0.00 C ATOM 1083 CG ARG A 71 -8.980 -1.305 4.021 1.00 0.00 C ATOM 1084 CD ARG A 71 -9.261 -2.799 4.037 1.00 0.00 C ATOM 1085 NE ARG A 71 -10.167 -3.174 5.119 1.00 0.00 N ATOM 1086 CZ ARG A 71 -11.477 -2.959 5.089 1.00 0.00 C ATOM 1087 NH1 ARG A 71 -12.032 -2.375 4.037 1.00 0.00 N ATOM 1088 NH2 ARG A 71 -12.235 -3.329 6.113 1.00 0.00 N ATOM 0 H ARG A 71 -6.335 0.122 3.264 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.391 1.115 4.699 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.941 -1.502 4.637 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.070 -1.264 5.956 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.875 -0.762 4.326 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.747 -0.989 3.004 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.694 -3.097 3.082 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.323 -3.343 4.145 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.772 -3.626 5.943 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.453 -2.089 3.248 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.039 -2.211 4.017 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.812 -3.779 6.924 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.241 -3.163 6.089 1.00 0.00 H new ATOM 1102 N PRO A 72 -8.008 1.083 7.278 1.00 0.00 N ATOM 1103 CA PRO A 72 -7.733 1.476 8.663 1.00 0.00 C ATOM 1104 C PRO A 72 -6.986 0.393 9.436 1.00 0.00 C ATOM 1105 O PRO A 72 -6.713 0.543 10.626 1.00 0.00 O ATOM 1106 CB PRO A 72 -9.128 1.689 9.256 1.00 0.00 C ATOM 1107 CG PRO A 72 -10.025 0.833 8.429 1.00 0.00 C ATOM 1108 CD PRO A 72 -9.441 0.838 7.043 1.00 0.00 C ATOM 0 HA PRO A 72 -7.093 2.357 8.717 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.161 1.398 10.306 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.424 2.737 9.206 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.074 -0.180 8.828 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.043 1.224 8.425 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.608 -0.111 6.533 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.885 1.616 6.422 1.00 0.00 H new ATOM 1116 N GLY A 73 -6.657 -0.697 8.749 1.00 0.00 N ATOM 1117 CA GLY A 73 -5.944 -1.788 9.387 1.00 0.00 C ATOM 1118 C GLY A 73 -4.567 -2.007 8.793 1.00 0.00 C ATOM 1119 O GLY A 73 -3.689 -2.578 9.440 1.00 0.00 O ATOM 0 H GLY A 73 -6.871 -0.844 7.763 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.848 -1.581 10.453 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.527 -2.704 9.292 1.00 0.00 H new ATOM 1123 N ILE A 74 -4.379 -1.554 7.558 1.00 0.00 N ATOM 1124 CA ILE A 74 -3.099 -1.705 6.877 1.00 0.00 C ATOM 1125 C ILE A 74 -2.160 -0.550 7.211 1.00 0.00 C ATOM 1126 O ILE A 74 -2.357 0.577 6.755 1.00 0.00 O ATOM 1127 CB ILE A 74 -3.279 -1.779 5.350 1.00 0.00 C ATOM 1128 CG1 ILE A 74 -4.455 -2.692 4.997 1.00 0.00 C ATOM 1129 CG2 ILE A 74 -2.001 -2.274 4.689 1.00 0.00 C ATOM 1130 CD1 ILE A 74 -4.137 -4.165 5.128 1.00 0.00 C ATOM 0 H ILE A 74 -5.096 -1.080 7.009 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.662 -2.640 7.229 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.495 -0.778 4.976 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.298 -2.452 5.645 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.770 -2.486 3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.144 -2.321 3.609 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.184 -1.589 4.917 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.757 -3.267 5.066 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.016 -4.752 4.862 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.314 -4.420 4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.851 -4.385 6.156 1.00 0.00 H new ATOM 1142 N LEU A 75 -1.137 -0.839 8.008 1.00 0.00 N ATOM 1143 CA LEU A 75 -0.164 0.175 8.402 1.00 0.00 C ATOM 1144 C LEU A 75 1.084 0.101 7.528 1.00 0.00 C ATOM 1145 O LEU A 75 1.808 -0.894 7.545 1.00 0.00 O ATOM 1146 CB LEU A 75 0.218 -0.002 9.873 1.00 0.00 C ATOM 1147 CG LEU A 75 -0.942 -0.029 10.869 1.00 0.00 C ATOM 1148 CD1 LEU A 75 -0.470 -0.535 12.224 1.00 0.00 C ATOM 1149 CD2 LEU A 75 -1.564 1.353 11.001 1.00 0.00 C ATOM 0 H LEU A 75 -0.960 -1.766 8.394 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.622 1.155 8.267 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.778 -0.932 9.973 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.892 0.808 10.153 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.703 -0.713 10.493 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.309 -0.547 12.920 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.072 -1.544 12.117 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.310 0.124 12.607 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.388 1.315 11.714 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.812 2.058 11.354 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.939 1.677 10.030 1.00 0.00 H new ATOM 1161 N VAL A 76 1.330 1.162 6.767 1.00 0.00 N ATOM 1162 CA VAL A 76 2.492 1.220 5.888 1.00 0.00 C ATOM 1163 C VAL A 76 3.665 1.911 6.574 1.00 0.00 C ATOM 1164 O VAL A 76 3.495 2.588 7.589 1.00 0.00 O ATOM 1165 CB VAL A 76 2.169 1.960 4.577 1.00 0.00 C ATOM 1166 CG1 VAL A 76 0.976 1.321 3.882 1.00 0.00 C ATOM 1167 CG2 VAL A 76 1.910 3.435 4.848 1.00 0.00 C ATOM 0 H VAL A 76 0.740 1.994 6.741 1.00 0.00 H new ATOM 0 HA VAL A 76 2.765 0.191 5.656 1.00 0.00 H new ATOM 0 HB VAL A 76 3.031 1.881 3.914 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.763 1.858 2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.203 0.280 3.653 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.106 1.367 4.537 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.683 3.943 3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.065 3.537 5.529 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.796 3.883 5.298 1.00 0.00 H new ATOM 1177 N LEU A 77 4.857 1.738 6.012 1.00 0.00 N ATOM 1178 CA LEU A 77 6.060 2.346 6.569 1.00 0.00 C ATOM 1179 C LEU A 77 7.080 2.637 5.473 1.00 0.00 C ATOM 1180 O LEU A 77 7.456 1.747 4.709 1.00 0.00 O ATOM 1181 CB LEU A 77 6.678 1.427 7.625 1.00 0.00 C ATOM 1182 CG LEU A 77 6.184 1.626 9.058 1.00 0.00 C ATOM 1183 CD1 LEU A 77 6.259 0.320 9.834 1.00 0.00 C ATOM 1184 CD2 LEU A 77 6.993 2.710 9.756 1.00 0.00 C ATOM 0 H LEU A 77 5.016 1.182 5.172 1.00 0.00 H new ATOM 0 HA LEU A 77 5.777 3.289 7.037 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.486 0.394 7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.759 1.566 7.612 1.00 0.00 H new ATOM 0 HG LEU A 77 5.142 1.945 9.022 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.903 0.481 10.852 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.636 -0.429 9.346 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.291 -0.028 9.861 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.627 2.838 10.775 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.044 2.421 9.781 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.888 3.649 9.212 1.00 0.00 H new ATOM 1196 N ILE A 78 7.525 3.887 5.403 1.00 0.00 N ATOM 1197 CA ILE A 78 8.504 4.294 4.402 1.00 0.00 C ATOM 1198 C ILE A 78 9.903 4.377 5.004 1.00 0.00 C ATOM 1199 O ILE A 78 10.120 5.059 6.004 1.00 0.00 O ATOM 1200 CB ILE A 78 8.142 5.657 3.782 1.00 0.00 C ATOM 1201 CG1 ILE A 78 6.712 5.631 3.240 1.00 0.00 C ATOM 1202 CG2 ILE A 78 9.127 6.015 2.679 1.00 0.00 C ATOM 1203 CD1 ILE A 78 6.059 6.995 3.194 1.00 0.00 C ATOM 0 H ILE A 78 7.223 4.635 6.027 1.00 0.00 H new ATOM 0 HA ILE A 78 8.492 3.534 3.621 1.00 0.00 H new ATOM 0 HB ILE A 78 8.202 6.421 4.557 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.720 5.207 2.236 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.109 4.969 3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.858 6.981 2.250 1.00 0.00 H new ATOM 0 HG22 ILE A 78 10.134 6.070 3.094 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.096 5.252 1.902 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.047 6.901 2.799 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.019 7.413 4.200 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.640 7.655 2.550 1.00 0.00 H new ATOM 1215 N ASN A 79 10.849 3.678 4.385 1.00 0.00 N ATOM 1216 CA ASN A 79 12.229 3.674 4.858 1.00 0.00 C ATOM 1217 C ASN A 79 12.284 3.499 6.373 1.00 0.00 C ATOM 1218 O ASN A 79 13.088 4.137 7.053 1.00 0.00 O ATOM 1219 CB ASN A 79 12.932 4.972 4.457 1.00 0.00 C ATOM 1220 CG ASN A 79 13.056 5.122 2.953 1.00 0.00 C ATOM 1221 OD1 ASN A 79 13.658 4.130 2.308 1.00 0.00 O flip ATOM 1222 ND2 ASN A 79 12.614 6.117 2.379 1.00 0.00 N flip ATOM 0 H ASN A 79 10.686 3.107 3.555 1.00 0.00 H new ATOM 0 HA ASN A 79 12.743 2.833 4.394 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.379 5.821 4.860 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.925 4.997 4.905 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.159 6.855 2.916 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.703 6.203 1.367 1.00 0.00 H new ATOM 1229 N ASP A 80 11.423 2.632 6.895 1.00 0.00 N ATOM 1230 CA ASP A 80 11.374 2.372 8.329 1.00 0.00 C ATOM 1231 C ASP A 80 10.994 3.634 9.097 1.00 0.00 C ATOM 1232 O ASP A 80 11.668 4.017 10.053 1.00 0.00 O ATOM 1233 CB ASP A 80 12.724 1.848 8.820 1.00 0.00 C ATOM 1234 CG ASP A 80 12.877 0.354 8.610 1.00 0.00 C ATOM 1235 OD1 ASP A 80 13.049 -0.067 7.447 1.00 0.00 O ATOM 1236 OD2 ASP A 80 12.825 -0.393 9.609 1.00 0.00 O ATOM 0 H ASP A 80 10.750 2.097 6.346 1.00 0.00 H new ATOM 0 HA ASP A 80 10.611 1.615 8.510 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.525 2.369 8.296 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.835 2.076 9.880 1.00 0.00 H new ATOM 1241 N ALA A 81 9.910 4.276 8.672 1.00 0.00 N ATOM 1242 CA ALA A 81 9.440 5.494 9.320 1.00 0.00 C ATOM 1243 C ALA A 81 7.964 5.737 9.026 1.00 0.00 C ATOM 1244 O ALA A 81 7.569 5.892 7.870 1.00 0.00 O ATOM 1245 CB ALA A 81 10.273 6.685 8.872 1.00 0.00 C ATOM 0 H ALA A 81 9.341 3.972 7.882 1.00 0.00 H new ATOM 0 HA ALA A 81 9.553 5.371 10.397 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.911 7.588 9.364 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.317 6.520 9.139 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.189 6.802 7.792 1.00 0.00 H new ATOM 1251 N ASP A 82 7.154 5.770 10.078 1.00 0.00 N ATOM 1252 CA ASP A 82 5.720 5.995 9.932 1.00 0.00 C ATOM 1253 C ASP A 82 5.439 7.016 8.834 1.00 0.00 C ATOM 1254 O ASP A 82 5.856 8.171 8.925 1.00 0.00 O ATOM 1255 CB ASP A 82 5.120 6.474 11.255 1.00 0.00 C ATOM 1256 CG ASP A 82 5.404 5.520 12.398 1.00 0.00 C ATOM 1257 OD1 ASP A 82 6.447 5.685 13.065 1.00 0.00 O ATOM 1258 OD2 ASP A 82 4.582 4.608 12.627 1.00 0.00 O ATOM 0 H ASP A 82 7.465 5.644 11.041 1.00 0.00 H new ATOM 0 HA ASP A 82 5.256 5.049 9.652 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.522 7.458 11.498 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.042 6.589 11.141 1.00 0.00 H new ATOM 1263 N TRP A 83 4.733 6.581 7.797 1.00 0.00 N ATOM 1264 CA TRP A 83 4.398 7.457 6.679 1.00 0.00 C ATOM 1265 C TRP A 83 3.463 8.576 7.126 1.00 0.00 C ATOM 1266 O TRP A 83 3.338 9.597 6.452 1.00 0.00 O ATOM 1267 CB TRP A 83 3.748 6.653 5.552 1.00 0.00 C ATOM 1268 CG TRP A 83 2.362 6.186 5.878 1.00 0.00 C ATOM 1269 CD1 TRP A 83 1.921 5.702 7.076 1.00 0.00 C ATOM 1270 CD2 TRP A 83 1.237 6.156 4.992 1.00 0.00 C ATOM 1271 NE1 TRP A 83 0.590 5.373 6.989 1.00 0.00 N ATOM 1272 CE2 TRP A 83 0.147 5.643 5.721 1.00 0.00 C ATOM 1273 CE3 TRP A 83 1.045 6.515 3.656 1.00 0.00 C ATOM 1274 CZ2 TRP A 83 -1.116 5.480 5.156 1.00 0.00 C ATOM 1275 CZ3 TRP A 83 -0.209 6.352 3.096 1.00 0.00 C ATOM 1276 CH2 TRP A 83 -1.276 5.840 3.846 1.00 0.00 C ATOM 0 H TRP A 83 4.381 5.628 7.706 1.00 0.00 H new ATOM 0 HA TRP A 83 5.321 7.905 6.311 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.715 7.266 4.651 1.00 0.00 H new ATOM 0 HB3 TRP A 83 4.371 5.788 5.326 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.529 5.594 7.962 1.00 0.00 H new ATOM 0 HE1 TRP A 83 0.023 4.990 7.746 1.00 0.00 H new ATOM 0 HE3 TRP A 83 1.861 6.913 3.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -1.939 5.084 5.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.369 6.624 2.063 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.244 5.727 3.381 1.00 0.00 H new ATOM 1287 N GLU A 84 2.810 8.376 8.267 1.00 0.00 N ATOM 1288 CA GLU A 84 1.887 9.370 8.802 1.00 0.00 C ATOM 1289 C GLU A 84 2.643 10.577 9.347 1.00 0.00 C ATOM 1290 O GLU A 84 2.097 11.678 9.439 1.00 0.00 O ATOM 1291 CB GLU A 84 1.023 8.754 9.905 1.00 0.00 C ATOM 1292 CG GLU A 84 1.787 7.815 10.823 1.00 0.00 C ATOM 1293 CD GLU A 84 1.127 7.660 12.179 1.00 0.00 C ATOM 1294 OE1 GLU A 84 1.097 8.651 12.940 1.00 0.00 O ATOM 1295 OE2 GLU A 84 0.642 6.550 12.480 1.00 0.00 O ATOM 0 H GLU A 84 2.903 7.536 8.838 1.00 0.00 H new ATOM 0 HA GLU A 84 1.242 9.704 7.989 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.585 9.554 10.501 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.198 8.209 9.447 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.869 6.837 10.349 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.801 8.190 10.958 1.00 0.00 H new ATOM 1302 N LEU A 85 3.904 10.365 9.708 1.00 0.00 N ATOM 1303 CA LEU A 85 4.737 11.435 10.246 1.00 0.00 C ATOM 1304 C LEU A 85 5.303 12.300 9.124 1.00 0.00 C ATOM 1305 O LEU A 85 5.617 13.473 9.329 1.00 0.00 O ATOM 1306 CB LEU A 85 5.879 10.850 11.079 1.00 0.00 C ATOM 1307 CG LEU A 85 5.588 10.644 12.566 1.00 0.00 C ATOM 1308 CD1 LEU A 85 4.410 9.700 12.753 1.00 0.00 C ATOM 1309 CD2 LEU A 85 6.820 10.111 13.282 1.00 0.00 C ATOM 0 H LEU A 85 4.372 9.461 9.638 1.00 0.00 H new ATOM 0 HA LEU A 85 4.114 12.061 10.884 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.161 9.889 10.648 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.743 11.507 10.986 1.00 0.00 H new ATOM 0 HG LEU A 85 5.328 11.608 13.003 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.217 9.565 13.817 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.526 10.122 12.275 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.641 8.735 12.301 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.594 9.971 14.339 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.111 9.157 12.843 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.638 10.823 13.177 1.00 0.00 H new ATOM 1321 N LEU A 86 5.427 11.715 7.938 1.00 0.00 N ATOM 1322 CA LEU A 86 5.953 12.432 6.782 1.00 0.00 C ATOM 1323 C LEU A 86 4.820 12.948 5.900 1.00 0.00 C ATOM 1324 O LEU A 86 4.592 14.153 5.806 1.00 0.00 O ATOM 1325 CB LEU A 86 6.875 11.523 5.968 1.00 0.00 C ATOM 1326 CG LEU A 86 7.895 10.713 6.768 1.00 0.00 C ATOM 1327 CD1 LEU A 86 8.213 9.406 6.058 1.00 0.00 C ATOM 1328 CD2 LEU A 86 9.164 11.524 6.990 1.00 0.00 C ATOM 0 H LEU A 86 5.170 10.746 7.752 1.00 0.00 H new ATOM 0 HA LEU A 86 6.525 13.286 7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.257 10.830 5.397 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.414 12.138 5.247 1.00 0.00 H new ATOM 0 HG LEU A 86 7.463 10.479 7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.941 8.842 6.642 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.301 8.819 5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.626 9.619 5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.879 10.932 7.561 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.600 11.789 6.027 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.923 12.433 7.541 1.00 0.00 H new ATOM 1340 N GLY A 87 4.111 12.025 5.256 1.00 0.00 N ATOM 1341 CA GLY A 87 3.009 12.406 4.392 1.00 0.00 C ATOM 1342 C GLY A 87 2.261 11.207 3.844 1.00 0.00 C ATOM 1343 O GLY A 87 2.586 10.702 2.770 1.00 0.00 O ATOM 0 H GLY A 87 4.280 11.021 5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.317 13.039 4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.391 13.002 3.563 1.00 0.00 H new ATOM 1347 N GLU A 88 1.257 10.749 4.585 1.00 0.00 N ATOM 1348 CA GLU A 88 0.462 9.599 4.168 1.00 0.00 C ATOM 1349 C GLU A 88 0.312 9.565 2.650 1.00 0.00 C ATOM 1350 O GLU A 88 0.945 8.756 1.970 1.00 0.00 O ATOM 1351 CB GLU A 88 -0.918 9.638 4.828 1.00 0.00 C ATOM 1352 CG GLU A 88 -0.909 9.204 6.284 1.00 0.00 C ATOM 1353 CD GLU A 88 -2.228 8.596 6.719 1.00 0.00 C ATOM 1354 OE1 GLU A 88 -3.253 9.307 6.674 1.00 0.00 O ATOM 1355 OE2 GLU A 88 -2.235 7.408 7.104 1.00 0.00 O ATOM 0 H GLU A 88 0.975 11.156 5.477 1.00 0.00 H new ATOM 0 HA GLU A 88 0.982 8.695 4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.314 10.651 4.762 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.597 8.993 4.270 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.110 8.478 6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.684 10.064 6.914 1.00 0.00 H new ATOM 1362 N LEU A 89 -0.531 10.447 2.125 1.00 0.00 N ATOM 1363 CA LEU A 89 -0.766 10.518 0.687 1.00 0.00 C ATOM 1364 C LEU A 89 -0.159 11.788 0.098 1.00 0.00 C ATOM 1365 O LEU A 89 -0.569 12.247 -0.969 1.00 0.00 O ATOM 1366 CB LEU A 89 -2.267 10.473 0.393 1.00 0.00 C ATOM 1367 CG LEU A 89 -3.038 9.310 1.018 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -4.536 9.506 0.839 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -2.595 7.988 0.410 1.00 0.00 C ATOM 0 H LEU A 89 -1.063 11.123 2.673 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.285 9.658 0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.713 11.406 0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.404 10.435 -0.688 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.820 9.287 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.069 8.669 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.842 10.434 1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.772 9.556 -0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.154 7.172 0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.783 8.000 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.530 7.843 0.590 1.00 0.00 H new ATOM 1381 N ASP A 90 0.821 12.348 0.798 1.00 0.00 N ATOM 1382 CA ASP A 90 1.487 13.563 0.343 1.00 0.00 C ATOM 1383 C ASP A 90 2.959 13.296 0.046 1.00 0.00 C ATOM 1384 O ASP A 90 3.609 14.066 -0.662 1.00 0.00 O ATOM 1385 CB ASP A 90 1.358 14.666 1.395 1.00 0.00 C ATOM 1386 CG ASP A 90 -0.047 14.769 1.956 1.00 0.00 C ATOM 1387 OD1 ASP A 90 -0.873 15.490 1.358 1.00 0.00 O ATOM 1388 OD2 ASP A 90 -0.320 14.129 2.993 1.00 0.00 O ATOM 0 H ASP A 90 1.172 11.980 1.682 1.00 0.00 H new ATOM 0 HA ASP A 90 1.002 13.891 -0.577 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.058 14.472 2.208 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.640 15.621 0.952 1.00 0.00 H new ATOM 1393 N TYR A 91 3.479 12.203 0.592 1.00 0.00 N ATOM 1394 CA TYR A 91 4.876 11.836 0.389 1.00 0.00 C ATOM 1395 C TYR A 91 5.095 11.287 -1.017 1.00 0.00 C ATOM 1396 O TYR A 91 4.529 10.260 -1.389 1.00 0.00 O ATOM 1397 CB TYR A 91 5.309 10.800 1.427 1.00 0.00 C ATOM 1398 CG TYR A 91 6.792 10.507 1.407 1.00 0.00 C ATOM 1399 CD1 TYR A 91 7.343 9.680 0.435 1.00 0.00 C ATOM 1400 CD2 TYR A 91 7.642 11.055 2.359 1.00 0.00 C ATOM 1401 CE1 TYR A 91 8.698 9.408 0.413 1.00 0.00 C ATOM 1402 CE2 TYR A 91 8.998 10.790 2.343 1.00 0.00 C ATOM 1403 CZ TYR A 91 9.521 9.966 1.369 1.00 0.00 C ATOM 1404 OH TYR A 91 10.870 9.698 1.351 1.00 0.00 O ATOM 0 H TYR A 91 2.954 11.555 1.179 1.00 0.00 H new ATOM 0 HA TYR A 91 5.483 12.734 0.508 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.030 11.154 2.420 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.762 9.873 1.254 1.00 0.00 H new ATOM 0 HD1 TYR A 91 6.701 9.243 -0.316 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.236 11.699 3.125 1.00 0.00 H new ATOM 0 HE1 TYR A 91 9.110 8.762 -0.348 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.645 11.226 3.090 1.00 0.00 H new ATOM 0 HH TYR A 91 11.307 10.169 2.091 1.00 0.00 H new ATOM 1414 N GLN A 92 5.922 11.980 -1.794 1.00 0.00 N ATOM 1415 CA GLN A 92 6.217 11.562 -3.159 1.00 0.00 C ATOM 1416 C GLN A 92 7.483 10.712 -3.207 1.00 0.00 C ATOM 1417 O GLN A 92 8.578 11.194 -2.912 1.00 0.00 O ATOM 1418 CB GLN A 92 6.374 12.784 -4.066 1.00 0.00 C ATOM 1419 CG GLN A 92 5.294 13.834 -3.865 1.00 0.00 C ATOM 1420 CD GLN A 92 5.507 15.063 -4.727 1.00 0.00 C ATOM 1421 OE1 GLN A 92 4.824 15.255 -5.733 1.00 0.00 O ATOM 1422 NE2 GLN A 92 6.457 15.904 -4.335 1.00 0.00 N ATOM 0 H GLN A 92 6.399 12.833 -1.501 1.00 0.00 H new ATOM 0 HA GLN A 92 5.383 10.958 -3.516 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.348 13.238 -3.885 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.363 12.458 -5.106 1.00 0.00 H new ATOM 0 HG2 GLN A 92 4.322 13.398 -4.094 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.271 14.130 -2.816 1.00 0.00 H new ATOM 0 HE21 GLN A 92 6.999 15.705 -3.494 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.645 16.749 -4.875 1.00 0.00 H new ATOM 1431 N LEU A 93 7.326 9.447 -3.579 1.00 0.00 N ATOM 1432 CA LEU A 93 8.457 8.529 -3.665 1.00 0.00 C ATOM 1433 C LEU A 93 9.437 8.972 -4.747 1.00 0.00 C ATOM 1434 O LEU A 93 9.035 9.322 -5.856 1.00 0.00 O ATOM 1435 CB LEU A 93 7.966 7.110 -3.956 1.00 0.00 C ATOM 1436 CG LEU A 93 7.125 6.453 -2.861 1.00 0.00 C ATOM 1437 CD1 LEU A 93 6.919 4.976 -3.161 1.00 0.00 C ATOM 1438 CD2 LEU A 93 7.783 6.637 -1.501 1.00 0.00 C ATOM 0 H LEU A 93 6.427 9.033 -3.826 1.00 0.00 H new ATOM 0 HA LEU A 93 8.975 8.538 -2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.378 7.131 -4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.834 6.479 -4.148 1.00 0.00 H new ATOM 0 HG LEU A 93 6.149 6.938 -2.838 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.318 4.525 -2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.404 4.867 -4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.887 4.477 -3.211 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.171 6.163 -0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.772 6.179 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.878 7.701 -1.284 1.00 0.00 H new ATOM 1450 N GLN A 94 10.724 8.953 -4.416 1.00 0.00 N ATOM 1451 CA GLN A 94 11.761 9.352 -5.360 1.00 0.00 C ATOM 1452 C GLN A 94 12.211 8.166 -6.207 1.00 0.00 C ATOM 1453 O GLN A 94 11.857 8.060 -7.381 1.00 0.00 O ATOM 1454 CB GLN A 94 12.958 9.945 -4.615 1.00 0.00 C ATOM 1455 CG GLN A 94 12.605 11.148 -3.755 1.00 0.00 C ATOM 1456 CD GLN A 94 12.205 10.759 -2.345 1.00 0.00 C ATOM 1457 OE1 GLN A 94 12.953 10.082 -1.639 1.00 0.00 O ATOM 1458 NE2 GLN A 94 11.019 11.188 -1.927 1.00 0.00 N ATOM 0 H GLN A 94 11.073 8.666 -3.502 1.00 0.00 H new ATOM 0 HA GLN A 94 11.342 10.110 -6.022 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.400 9.175 -3.983 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.718 10.238 -5.340 1.00 0.00 H new ATOM 0 HG2 GLN A 94 13.459 11.823 -3.713 1.00 0.00 H new ATOM 0 HG3 GLN A 94 11.787 11.697 -4.222 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.432 11.747 -2.546 1.00 0.00 H new ATOM 0 HE22 GLN A 94 10.696 10.959 -0.987 1.00 0.00 H new ATOM 1467 N ASP A 95 12.993 7.278 -5.604 1.00 0.00 N ATOM 1468 CA ASP A 95 13.492 6.099 -6.303 1.00 0.00 C ATOM 1469 C ASP A 95 14.175 5.141 -5.333 1.00 0.00 C ATOM 1470 O ASP A 95 14.496 5.510 -4.204 1.00 0.00 O ATOM 1471 CB ASP A 95 14.467 6.509 -7.408 1.00 0.00 C ATOM 1472 CG ASP A 95 14.650 5.424 -8.451 1.00 0.00 C ATOM 1473 OD1 ASP A 95 13.742 4.578 -8.592 1.00 0.00 O ATOM 1474 OD2 ASP A 95 15.699 5.422 -9.127 1.00 0.00 O ATOM 0 H ASP A 95 13.295 7.352 -4.633 1.00 0.00 H new ATOM 0 HA ASP A 95 12.642 5.586 -6.753 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.103 7.416 -7.891 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.433 6.750 -6.965 1.00 0.00 H new ATOM 1479 N GLN A 96 14.394 3.909 -5.782 1.00 0.00 N ATOM 1480 CA GLN A 96 15.037 2.897 -4.952 1.00 0.00 C ATOM 1481 C GLN A 96 14.562 2.996 -3.506 1.00 0.00 C ATOM 1482 O GLN A 96 15.275 2.610 -2.580 1.00 0.00 O ATOM 1483 CB GLN A 96 16.558 3.049 -5.013 1.00 0.00 C ATOM 1484 CG GLN A 96 17.138 2.816 -6.399 1.00 0.00 C ATOM 1485 CD GLN A 96 17.195 1.347 -6.768 1.00 0.00 C ATOM 1486 OE1 GLN A 96 17.557 0.502 -5.948 1.00 0.00 O ATOM 1487 NE2 GLN A 96 16.837 1.033 -8.007 1.00 0.00 N ATOM 0 H GLN A 96 14.136 3.588 -6.715 1.00 0.00 H new ATOM 0 HA GLN A 96 14.761 1.916 -5.339 1.00 0.00 H new ATOM 0 HB2 GLN A 96 16.828 4.051 -4.679 1.00 0.00 H new ATOM 0 HB3 GLN A 96 17.013 2.346 -4.315 1.00 0.00 H new ATOM 0 HG2 GLN A 96 16.536 3.349 -7.135 1.00 0.00 H new ATOM 0 HG3 GLN A 96 18.142 3.237 -6.444 1.00 0.00 H new ATOM 0 HE21 GLN A 96 16.544 1.765 -8.654 1.00 0.00 H new ATOM 0 HE22 GLN A 96 16.855 0.060 -8.312 1.00 0.00 H new ATOM 1496 N ASP A 97 13.354 3.515 -3.320 1.00 0.00 N ATOM 1497 CA ASP A 97 12.782 3.665 -1.987 1.00 0.00 C ATOM 1498 C ASP A 97 12.232 2.335 -1.480 1.00 0.00 C ATOM 1499 O ASP A 97 11.978 1.418 -2.261 1.00 0.00 O ATOM 1500 CB ASP A 97 11.674 4.719 -1.998 1.00 0.00 C ATOM 1501 CG ASP A 97 11.492 5.382 -0.647 1.00 0.00 C ATOM 1502 OD1 ASP A 97 12.342 6.220 -0.278 1.00 0.00 O ATOM 1503 OD2 ASP A 97 10.500 5.064 0.040 1.00 0.00 O ATOM 0 H ASP A 97 12.751 3.839 -4.076 1.00 0.00 H new ATOM 0 HA ASP A 97 13.574 3.991 -1.313 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.907 5.479 -2.744 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.736 4.253 -2.300 1.00 0.00 H new ATOM 1508 N SER A 98 12.050 2.238 -0.167 1.00 0.00 N ATOM 1509 CA SER A 98 11.534 1.019 0.445 1.00 0.00 C ATOM 1510 C SER A 98 10.177 1.270 1.096 1.00 0.00 C ATOM 1511 O SER A 98 10.042 2.138 1.959 1.00 0.00 O ATOM 1512 CB SER A 98 12.521 0.489 1.486 1.00 0.00 C ATOM 1513 OG SER A 98 11.920 -0.503 2.301 1.00 0.00 O ATOM 0 H SER A 98 12.252 2.989 0.493 1.00 0.00 H new ATOM 0 HA SER A 98 11.409 0.273 -0.340 1.00 0.00 H new ATOM 0 HB2 SER A 98 13.394 0.072 0.984 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.874 1.311 2.109 1.00 0.00 H new ATOM 0 HG SER A 98 12.572 -0.827 2.957 1.00 0.00 H new ATOM 1519 N ILE A 99 9.176 0.505 0.675 1.00 0.00 N ATOM 1520 CA ILE A 99 7.830 0.643 1.217 1.00 0.00 C ATOM 1521 C ILE A 99 7.368 -0.651 1.879 1.00 0.00 C ATOM 1522 O ILE A 99 7.420 -1.723 1.275 1.00 0.00 O ATOM 1523 CB ILE A 99 6.820 1.036 0.123 1.00 0.00 C ATOM 1524 CG1 ILE A 99 7.477 1.967 -0.897 1.00 0.00 C ATOM 1525 CG2 ILE A 99 5.598 1.697 0.742 1.00 0.00 C ATOM 1526 CD1 ILE A 99 7.983 3.260 -0.297 1.00 0.00 C ATOM 0 H ILE A 99 9.271 -0.217 -0.040 1.00 0.00 H new ATOM 0 HA ILE A 99 7.871 1.436 1.964 1.00 0.00 H new ATOM 0 HB ILE A 99 6.497 0.132 -0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.309 1.445 -1.370 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.757 2.198 -1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.894 1.969 -0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.120 1.003 1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 99 5.903 2.594 1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.436 3.871 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.151 3.803 0.151 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.727 3.039 0.469 1.00 0.00 H new ATOM 1538 N LEU A 100 6.915 -0.543 3.123 1.00 0.00 N ATOM 1539 CA LEU A 100 6.441 -1.705 3.868 1.00 0.00 C ATOM 1540 C LEU A 100 4.949 -1.589 4.166 1.00 0.00 C ATOM 1541 O LEU A 100 4.418 -0.488 4.308 1.00 0.00 O ATOM 1542 CB LEU A 100 7.224 -1.852 5.174 1.00 0.00 C ATOM 1543 CG LEU A 100 6.573 -2.718 6.252 1.00 0.00 C ATOM 1544 CD1 LEU A 100 6.800 -4.194 5.962 1.00 0.00 C ATOM 1545 CD2 LEU A 100 7.115 -2.355 7.627 1.00 0.00 C ATOM 0 H LEU A 100 6.866 0.337 3.637 1.00 0.00 H new ATOM 0 HA LEU A 100 6.602 -2.591 3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.203 -2.271 4.942 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.392 -0.858 5.587 1.00 0.00 H new ATOM 0 HG LEU A 100 5.500 -2.528 6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.329 -4.794 6.740 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.364 -4.446 4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.870 -4.400 5.942 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.640 -2.981 8.382 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.193 -2.516 7.647 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.900 -1.307 7.838 1.00 0.00 H new ATOM 1557 N PHE A 101 4.280 -2.733 4.262 1.00 0.00 N ATOM 1558 CA PHE A 101 2.850 -2.761 4.545 1.00 0.00 C ATOM 1559 C PHE A 101 2.517 -3.849 5.562 1.00 0.00 C ATOM 1560 O PHE A 101 2.867 -5.015 5.376 1.00 0.00 O ATOM 1561 CB PHE A 101 2.058 -2.991 3.257 1.00 0.00 C ATOM 1562 CG PHE A 101 2.262 -1.917 2.227 1.00 0.00 C ATOM 1563 CD1 PHE A 101 3.428 -1.867 1.481 1.00 0.00 C ATOM 1564 CD2 PHE A 101 1.287 -0.958 2.005 1.00 0.00 C ATOM 1565 CE1 PHE A 101 3.619 -0.879 0.534 1.00 0.00 C ATOM 1566 CE2 PHE A 101 1.472 0.032 1.058 1.00 0.00 C ATOM 1567 CZ PHE A 101 2.639 0.071 0.321 1.00 0.00 C ATOM 0 H PHE A 101 4.705 -3.653 4.148 1.00 0.00 H new ATOM 0 HA PHE A 101 2.570 -1.796 4.968 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.345 -3.952 2.830 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.997 -3.054 3.499 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.197 -2.609 1.641 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.372 -0.984 2.578 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.534 -0.850 -0.039 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.705 0.774 0.895 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.785 0.843 -0.420 1.00 0.00 H new ATOM 1577 N ILE A 102 1.840 -3.460 6.637 1.00 0.00 N ATOM 1578 CA ILE A 102 1.460 -4.401 7.682 1.00 0.00 C ATOM 1579 C ILE A 102 -0.056 -4.521 7.789 1.00 0.00 C ATOM 1580 O ILE A 102 -0.761 -3.520 7.912 1.00 0.00 O ATOM 1581 CB ILE A 102 2.028 -3.982 9.051 1.00 0.00 C ATOM 1582 CG1 ILE A 102 3.549 -4.150 9.070 1.00 0.00 C ATOM 1583 CG2 ILE A 102 1.386 -4.798 10.163 1.00 0.00 C ATOM 1584 CD1 ILE A 102 4.168 -3.896 10.426 1.00 0.00 C ATOM 0 H ILE A 102 1.543 -2.499 6.807 1.00 0.00 H new ATOM 0 HA ILE A 102 1.880 -5.368 7.404 1.00 0.00 H new ATOM 0 HB ILE A 102 1.795 -2.930 9.218 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.799 -5.161 8.749 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.991 -3.467 8.344 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.798 -4.490 11.124 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.309 -4.633 10.160 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.591 -5.856 10.003 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.248 -4.033 10.365 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.949 -2.876 10.740 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.754 -4.596 11.152 1.00 0.00 H new ATOM 1596 N SER A 103 -0.551 -5.754 7.743 1.00 0.00 N ATOM 1597 CA SER A 103 -1.985 -6.006 7.833 1.00 0.00 C ATOM 1598 C SER A 103 -2.368 -6.470 9.235 1.00 0.00 C ATOM 1599 O SER A 103 -1.771 -7.399 9.780 1.00 0.00 O ATOM 1600 CB SER A 103 -2.405 -7.057 6.803 1.00 0.00 C ATOM 1601 OG SER A 103 -3.735 -7.490 7.030 1.00 0.00 O ATOM 0 H SER A 103 0.019 -6.594 7.644 1.00 0.00 H new ATOM 0 HA SER A 103 -2.507 -5.073 7.623 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.321 -6.641 5.799 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.728 -7.910 6.852 1.00 0.00 H new ATOM 0 HG SER A 103 -3.980 -8.160 6.358 1.00 0.00 H new ATOM 1607 N THR A 104 -3.370 -5.816 9.815 1.00 0.00 N ATOM 1608 CA THR A 104 -3.834 -6.159 11.153 1.00 0.00 C ATOM 1609 C THR A 104 -5.328 -6.461 11.157 1.00 0.00 C ATOM 1610 O THR A 104 -6.038 -6.125 12.105 1.00 0.00 O ATOM 1611 CB THR A 104 -3.549 -5.024 12.154 1.00 0.00 C ATOM 1612 OG1 THR A 104 -4.161 -3.810 11.706 1.00 0.00 O ATOM 1613 CG2 THR A 104 -2.051 -4.811 12.320 1.00 0.00 C ATOM 0 H THR A 104 -3.876 -5.045 9.378 1.00 0.00 H new ATOM 0 HA THR A 104 -3.286 -7.050 11.459 1.00 0.00 H new ATOM 0 HB THR A 104 -3.969 -5.308 13.119 1.00 0.00 H new ATOM 0 HG1 THR A 104 -3.675 -3.467 10.927 1.00 0.00 H new ATOM 0 HG21 THR A 104 -1.875 -4.004 13.032 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.592 -5.728 12.690 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.612 -4.548 11.358 1.00 0.00 H new