USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 740 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 103 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 107 SER OG : rot 86:sc= 0.129 USER MOD Set 2.1: A 29 SER OG : rot 75:sc= 0.866 USER MOD Set 2.2: A 34 SER OG : rot -78:sc= 0.279 USER MOD Single : A 16 CYS SG : rot 77:sc= 0.558 USER MOD Single : A 17 GLN : amide:sc= 0.463 K(o=0.46,f=-1.7!) USER MOD Single : A 19 GLN : amide:sc= -0.927 K(o=-0.93,f=-1.9!) USER MOD Single : A 20 THR OG1 : rot -72:sc= 1.04 USER MOD Single : A 23 TYR OH : rot 30:sc= -0.358 USER MOD Single : A 27 HIS : no HD1:sc= -0.0587 X(o=-0.059,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 71:sc= -2.56! USER MOD Single : A 46 TYR OH : rot 115:sc= 1.27 USER MOD Single : A 49 GLN : amide:sc= -2.42 K(o=-2.4,f=-3!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.115 K(o=-0.12,f=-1.8!) USER MOD Single : A 67 THR OG1 : rot -150:sc= -0.902 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.892 X(o=-0.89,f=-1.3) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -5.55! C(o=-5.6!,f=-6.4!) USER MOD Single : A 93 SER OG : rot -93:sc=0.000808 USER MOD Single : A 101 TYR OH : rot 35:sc= -1.83! USER MOD Single : A 104 HIS : no HD1:sc= -2.23 K(o=-2.2,f=-0.6) USER MOD Single : A 106 HIS : no HD1:sc= -6.54! C(o=-6.5!,f=-3.9!) USER MOD Single : A 110 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0875) USER MOD ----------------------------------------------------------------- ATOM 112 N GLU A 11 -0.846 -13.964 -3.250 1.00 0.00 N ATOM 113 CA GLU A 11 0.506 -13.455 -3.456 1.00 0.00 C ATOM 114 C GLU A 11 0.557 -11.946 -3.242 1.00 0.00 C ATOM 115 O GLU A 11 1.629 -11.371 -3.042 1.00 0.00 O ATOM 116 CB GLU A 11 0.996 -13.799 -4.864 1.00 0.00 C ATOM 117 CG GLU A 11 0.186 -13.140 -5.968 1.00 0.00 C ATOM 118 CD GLU A 11 -1.123 -13.855 -6.238 1.00 0.00 C ATOM 119 OE1 GLU A 11 -1.158 -15.098 -6.115 1.00 0.00 O ATOM 120 OE2 GLU A 11 -2.114 -13.171 -6.572 1.00 0.00 O ATOM 0 HA GLU A 11 1.161 -13.930 -2.726 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.039 -13.497 -4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.963 -14.880 -4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.019 -12.105 -5.694 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.778 -13.116 -6.883 1.00 0.00 H new ATOM 127 N LEU A 12 -0.607 -11.307 -3.286 1.00 0.00 N ATOM 128 CA LEU A 12 -0.697 -9.863 -3.098 1.00 0.00 C ATOM 129 C LEU A 12 -0.760 -9.511 -1.615 1.00 0.00 C ATOM 130 O LEU A 12 0.102 -8.799 -1.097 1.00 0.00 O ATOM 131 CB LEU A 12 -1.927 -9.311 -3.818 1.00 0.00 C ATOM 132 CG LEU A 12 -2.110 -7.794 -3.766 1.00 0.00 C ATOM 133 CD1 LEU A 12 -0.957 -7.092 -4.467 1.00 0.00 C ATOM 134 CD2 LEU A 12 -3.438 -7.395 -4.392 1.00 0.00 C ATOM 0 H LEU A 12 -1.503 -11.767 -3.450 1.00 0.00 H new ATOM 0 HA LEU A 12 0.198 -9.409 -3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.878 -9.615 -4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.814 -9.779 -3.391 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.116 -7.484 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.105 -6.013 -4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.020 -7.352 -3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.919 -7.407 -5.510 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.551 -6.312 -4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.461 -7.718 -5.433 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.254 -7.868 -3.846 1.00 0.00 H new ATOM 146 N LEU A 13 -1.785 -10.015 -0.936 1.00 0.00 N ATOM 147 CA LEU A 13 -1.960 -9.755 0.488 1.00 0.00 C ATOM 148 C LEU A 13 -0.689 -10.086 1.263 1.00 0.00 C ATOM 149 O LEU A 13 -0.190 -9.268 2.037 1.00 0.00 O ATOM 150 CB LEU A 13 -3.132 -10.572 1.036 1.00 0.00 C ATOM 151 CG LEU A 13 -3.189 -10.730 2.556 1.00 0.00 C ATOM 152 CD1 LEU A 13 -3.507 -9.397 3.218 1.00 0.00 C ATOM 153 CD2 LEU A 13 -4.220 -11.780 2.945 1.00 0.00 C ATOM 0 H LEU A 13 -2.507 -10.606 -1.349 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.174 -8.694 0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.060 -10.106 0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.097 -11.565 0.589 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.212 -11.063 2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.544 -9.527 4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.733 -8.672 2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.472 -9.036 2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.247 -11.879 4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.203 -11.476 2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.950 -12.738 2.500 1.00 0.00 H new ATOM 165 N ARG A 14 -0.168 -11.290 1.049 1.00 0.00 N ATOM 166 CA ARG A 14 1.046 -11.729 1.726 1.00 0.00 C ATOM 167 C ARG A 14 2.204 -10.778 1.438 1.00 0.00 C ATOM 168 O ARG A 14 2.811 -10.227 2.357 1.00 0.00 O ATOM 169 CB ARG A 14 1.416 -13.147 1.287 1.00 0.00 C ATOM 170 CG ARG A 14 0.736 -14.235 2.103 1.00 0.00 C ATOM 171 CD ARG A 14 1.503 -15.545 2.032 1.00 0.00 C ATOM 172 NE ARG A 14 2.615 -15.581 2.980 1.00 0.00 N ATOM 173 CZ ARG A 14 3.567 -16.507 2.960 1.00 0.00 C ATOM 174 NH1 ARG A 14 3.545 -17.466 2.045 1.00 0.00 N ATOM 175 NH2 ARG A 14 4.546 -16.472 3.855 1.00 0.00 N ATOM 0 H ARG A 14 -0.568 -11.979 0.412 1.00 0.00 H new ATOM 0 HA ARG A 14 0.854 -11.726 2.799 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.152 -13.274 0.237 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.496 -13.271 1.361 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.655 -13.915 3.142 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.279 -14.386 1.736 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.825 -16.374 2.237 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.884 -15.688 1.021 1.00 0.00 H new ATOM 0 HE ARG A 14 2.662 -14.856 3.696 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.796 -17.494 1.354 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.278 -18.176 2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.568 -15.734 4.559 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.277 -17.183 3.839 1.00 0.00 H new ATOM 189 N TRP A 15 2.504 -10.589 0.159 1.00 0.00 N ATOM 190 CA TRP A 15 3.589 -9.705 -0.250 1.00 0.00 C ATOM 191 C TRP A 15 3.462 -8.342 0.421 1.00 0.00 C ATOM 192 O TRP A 15 4.458 -7.754 0.845 1.00 0.00 O ATOM 193 CB TRP A 15 3.594 -9.539 -1.771 1.00 0.00 C ATOM 194 CG TRP A 15 4.623 -8.566 -2.259 1.00 0.00 C ATOM 195 CD1 TRP A 15 5.947 -8.819 -2.488 1.00 0.00 C ATOM 196 CD2 TRP A 15 4.416 -7.185 -2.576 1.00 0.00 C ATOM 197 NE1 TRP A 15 6.574 -7.678 -2.928 1.00 0.00 N ATOM 198 CE2 TRP A 15 5.657 -6.662 -2.991 1.00 0.00 C ATOM 199 CE3 TRP A 15 3.303 -6.341 -2.552 1.00 0.00 C ATOM 200 CZ2 TRP A 15 5.813 -5.333 -3.377 1.00 0.00 C ATOM 201 CZ3 TRP A 15 3.459 -5.022 -2.935 1.00 0.00 C ATOM 202 CH2 TRP A 15 4.706 -4.529 -3.343 1.00 0.00 C ATOM 0 H TRP A 15 2.011 -11.036 -0.614 1.00 0.00 H new ATOM 0 HA TRP A 15 4.530 -10.158 0.062 1.00 0.00 H new ATOM 0 HB2 TRP A 15 3.773 -10.509 -2.235 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.608 -9.208 -2.096 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.429 -9.775 -2.344 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.562 -7.600 -3.169 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.338 -6.712 -2.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 6.773 -4.951 -3.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 2.606 -4.360 -2.920 1.00 0.00 H new ATOM 0 HH2 TRP A 15 4.795 -3.493 -3.637 1.00 0.00 H new ATOM 213 N CYS A 16 2.234 -7.846 0.515 1.00 0.00 N ATOM 214 CA CYS A 16 1.978 -6.550 1.136 1.00 0.00 C ATOM 215 C CYS A 16 2.215 -6.613 2.642 1.00 0.00 C ATOM 216 O CYS A 16 2.761 -5.682 3.233 1.00 0.00 O ATOM 217 CB CYS A 16 0.546 -6.098 0.850 1.00 0.00 C ATOM 218 SG CYS A 16 0.203 -5.794 -0.898 1.00 0.00 S ATOM 0 H CYS A 16 1.400 -8.320 0.170 1.00 0.00 H new ATOM 0 HA CYS A 16 2.671 -5.826 0.708 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.144 -6.858 1.218 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.345 -5.186 1.412 1.00 0.00 H new ATOM 0 HG CYS A 16 0.058 -6.929 -1.516 1.00 0.00 H new ATOM 224 N GLN A 17 1.797 -7.716 3.255 1.00 0.00 N ATOM 225 CA GLN A 17 1.961 -7.897 4.693 1.00 0.00 C ATOM 226 C GLN A 17 3.433 -7.822 5.087 1.00 0.00 C ATOM 227 O GLN A 17 3.782 -7.222 6.103 1.00 0.00 O ATOM 228 CB GLN A 17 1.373 -9.241 5.128 1.00 0.00 C ATOM 229 CG GLN A 17 -0.145 -9.248 5.196 1.00 0.00 C ATOM 230 CD GLN A 17 -0.713 -10.637 5.411 1.00 0.00 C ATOM 231 OE1 GLN A 17 -0.044 -11.640 5.163 1.00 0.00 O ATOM 232 NE2 GLN A 17 -1.956 -10.703 5.874 1.00 0.00 N ATOM 0 H GLN A 17 1.343 -8.496 2.780 1.00 0.00 H new ATOM 0 HA GLN A 17 1.427 -7.093 5.199 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.701 -10.014 4.432 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.773 -9.503 6.107 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.472 -8.597 6.007 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.548 -8.834 4.272 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.475 -9.846 6.066 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.392 -11.611 6.037 1.00 0.00 H new ATOM 241 N GLU A 18 4.290 -8.433 4.276 1.00 0.00 N ATOM 242 CA GLU A 18 5.724 -8.434 4.541 1.00 0.00 C ATOM 243 C GLU A 18 6.299 -7.025 4.432 1.00 0.00 C ATOM 244 O GLU A 18 7.131 -6.619 5.242 1.00 0.00 O ATOM 245 CB GLU A 18 6.444 -9.369 3.568 1.00 0.00 C ATOM 246 CG GLU A 18 6.296 -10.840 3.914 1.00 0.00 C ATOM 247 CD GLU A 18 7.309 -11.303 4.943 1.00 0.00 C ATOM 248 OE1 GLU A 18 8.523 -11.174 4.682 1.00 0.00 O ATOM 249 OE2 GLU A 18 6.886 -11.794 6.011 1.00 0.00 O ATOM 0 H GLU A 18 4.017 -8.934 3.430 1.00 0.00 H new ATOM 0 HA GLU A 18 5.879 -8.792 5.559 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.058 -9.200 2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.504 -9.114 3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.290 -11.021 4.293 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.407 -11.435 3.008 1.00 0.00 H new ATOM 256 N GLN A 19 5.848 -6.285 3.423 1.00 0.00 N ATOM 257 CA GLN A 19 6.319 -4.923 3.207 1.00 0.00 C ATOM 258 C GLN A 19 5.836 -3.997 4.318 1.00 0.00 C ATOM 259 O GLN A 19 6.629 -3.289 4.940 1.00 0.00 O ATOM 260 CB GLN A 19 5.838 -4.404 1.849 1.00 0.00 C ATOM 261 CG GLN A 19 6.431 -5.153 0.668 1.00 0.00 C ATOM 262 CD GLN A 19 7.887 -5.519 0.878 1.00 0.00 C ATOM 263 OE1 GLN A 19 8.666 -4.729 1.412 1.00 0.00 O ATOM 264 NE2 GLN A 19 8.263 -6.722 0.460 1.00 0.00 N ATOM 0 H GLN A 19 5.158 -6.606 2.744 1.00 0.00 H new ATOM 0 HA GLN A 19 7.409 -4.936 3.218 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.751 -4.476 1.806 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.091 -3.347 1.763 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.854 -6.061 0.492 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.341 -4.540 -0.228 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.584 -7.345 0.023 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.231 -7.023 0.576 1.00 0.00 H new ATOM 273 N THR A 20 4.529 -4.005 4.562 1.00 0.00 N ATOM 274 CA THR A 20 3.939 -3.164 5.597 1.00 0.00 C ATOM 275 C THR A 20 4.398 -3.599 6.985 1.00 0.00 C ATOM 276 O THR A 20 4.289 -2.843 7.950 1.00 0.00 O ATOM 277 CB THR A 20 2.401 -3.201 5.542 1.00 0.00 C ATOM 278 OG1 THR A 20 1.939 -4.551 5.652 1.00 0.00 O ATOM 279 CG2 THR A 20 1.892 -2.589 4.245 1.00 0.00 C ATOM 0 H THR A 20 3.859 -4.585 4.057 1.00 0.00 H new ATOM 0 HA THR A 20 4.277 -2.145 5.408 1.00 0.00 H new ATOM 0 HB THR A 20 2.015 -2.617 6.377 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.136 -5.033 4.822 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.803 -2.626 4.228 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.221 -1.552 4.178 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.287 -3.150 3.398 1.00 0.00 H new ATOM 287 N ALA A 21 4.909 -4.822 7.078 1.00 0.00 N ATOM 288 CA ALA A 21 5.387 -5.356 8.347 1.00 0.00 C ATOM 289 C ALA A 21 6.464 -4.461 8.949 1.00 0.00 C ATOM 290 O ALA A 21 7.375 -4.015 8.253 1.00 0.00 O ATOM 291 CB ALA A 21 5.917 -6.769 8.160 1.00 0.00 C ATOM 0 H ALA A 21 5.003 -5.462 6.289 1.00 0.00 H new ATOM 0 HA ALA A 21 4.546 -5.384 9.040 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.270 -7.155 9.116 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.120 -7.410 7.783 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.741 -6.757 7.447 1.00 0.00 H new ATOM 297 N GLY A 22 6.353 -4.201 10.249 1.00 0.00 N ATOM 298 CA GLY A 22 7.325 -3.359 10.922 1.00 0.00 C ATOM 299 C GLY A 22 6.724 -2.053 11.404 1.00 0.00 C ATOM 300 O GLY A 22 6.989 -1.617 12.525 1.00 0.00 O ATOM 0 H GLY A 22 5.608 -4.558 10.847 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.743 -3.899 11.772 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.150 -3.147 10.242 1.00 0.00 H new ATOM 304 N TYR A 23 5.916 -1.427 10.558 1.00 0.00 N ATOM 305 CA TYR A 23 5.280 -0.162 10.901 1.00 0.00 C ATOM 306 C TYR A 23 4.406 -0.311 12.143 1.00 0.00 C ATOM 307 O TYR A 23 3.512 -1.155 12.207 1.00 0.00 O ATOM 308 CB TYR A 23 4.438 0.346 9.729 1.00 0.00 C ATOM 309 CG TYR A 23 4.093 1.815 9.823 1.00 0.00 C ATOM 310 CD1 TYR A 23 3.437 2.326 10.937 1.00 0.00 C ATOM 311 CD2 TYR A 23 4.423 2.693 8.798 1.00 0.00 C ATOM 312 CE1 TYR A 23 3.120 3.667 11.025 1.00 0.00 C ATOM 313 CE2 TYR A 23 4.110 4.036 8.879 1.00 0.00 C ATOM 314 CZ TYR A 23 3.458 4.518 9.995 1.00 0.00 C ATOM 315 OH TYR A 23 3.144 5.855 10.081 1.00 0.00 O ATOM 0 H TYR A 23 5.685 -1.776 9.628 1.00 0.00 H new ATOM 0 HA TYR A 23 6.065 0.563 11.116 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.979 0.167 8.800 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.516 -0.233 9.677 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.171 1.663 11.747 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.933 2.319 7.923 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.609 4.047 11.897 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.374 4.705 8.073 1.00 0.00 H new ATOM 0 HH TYR A 23 3.145 6.131 11.021 1.00 0.00 H new ATOM 325 N PRO A 24 4.669 0.529 13.155 1.00 0.00 N ATOM 326 CA PRO A 24 3.917 0.513 14.414 1.00 0.00 C ATOM 327 C PRO A 24 2.487 1.013 14.242 1.00 0.00 C ATOM 328 O PRO A 24 2.253 2.208 14.072 1.00 0.00 O ATOM 329 CB PRO A 24 4.711 1.464 15.313 1.00 0.00 C ATOM 330 CG PRO A 24 5.412 2.381 14.371 1.00 0.00 C ATOM 331 CD PRO A 24 5.720 1.561 13.148 1.00 0.00 C ATOM 0 HA PRO A 24 3.819 -0.495 14.817 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.053 2.015 15.985 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.420 0.919 15.936 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.785 3.236 14.120 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.325 2.775 14.817 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.685 2.164 12.241 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.716 1.121 13.200 1.00 0.00 H new ATOM 339 N GLY A 25 1.533 0.088 14.286 1.00 0.00 N ATOM 340 CA GLY A 25 0.137 0.454 14.134 1.00 0.00 C ATOM 341 C GLY A 25 -0.425 0.051 12.785 1.00 0.00 C ATOM 342 O GLY A 25 -1.456 0.568 12.354 1.00 0.00 O ATOM 0 H GLY A 25 1.702 -0.908 14.424 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.447 -0.019 14.923 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.031 1.531 14.261 1.00 0.00 H new ATOM 346 N VAL A 26 0.256 -0.873 12.115 1.00 0.00 N ATOM 347 CA VAL A 26 -0.181 -1.345 10.806 1.00 0.00 C ATOM 348 C VAL A 26 -0.308 -2.864 10.784 1.00 0.00 C ATOM 349 O VAL A 26 0.688 -3.582 10.881 1.00 0.00 O ATOM 350 CB VAL A 26 0.794 -0.905 9.697 1.00 0.00 C ATOM 351 CG1 VAL A 26 0.470 -1.613 8.390 1.00 0.00 C ATOM 352 CG2 VAL A 26 0.753 0.605 9.520 1.00 0.00 C ATOM 0 H VAL A 26 1.112 -1.310 12.457 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.158 -0.899 10.618 1.00 0.00 H new ATOM 0 HB VAL A 26 1.805 -1.185 9.993 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.169 -1.290 7.618 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.556 -2.691 8.529 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.547 -1.366 8.085 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.448 0.898 8.733 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.256 0.912 9.246 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.038 1.089 10.454 1.00 0.00 H new ATOM 362 N HIS A 27 -1.539 -3.348 10.654 1.00 0.00 N ATOM 363 CA HIS A 27 -1.796 -4.783 10.619 1.00 0.00 C ATOM 364 C HIS A 27 -2.710 -5.141 9.450 1.00 0.00 C ATOM 365 O HIS A 27 -3.933 -5.166 9.590 1.00 0.00 O ATOM 366 CB HIS A 27 -2.426 -5.244 11.934 1.00 0.00 C ATOM 367 CG HIS A 27 -2.263 -6.709 12.195 1.00 0.00 C ATOM 368 ND1 HIS A 27 -2.359 -7.264 13.453 1.00 0.00 N ATOM 369 CD2 HIS A 27 -2.012 -7.736 11.350 1.00 0.00 C ATOM 370 CE1 HIS A 27 -2.172 -8.570 13.372 1.00 0.00 C ATOM 371 NE2 HIS A 27 -1.960 -8.882 12.106 1.00 0.00 N ATOM 0 H HIS A 27 -2.374 -2.768 10.571 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.843 -5.295 10.484 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -1.980 -4.685 12.757 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.489 -5.001 11.923 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -1.878 -7.667 10.281 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -2.190 -9.264 14.200 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -1.786 -9.821 11.748 1.00 0.00 H new ATOM 380 N VAL A 28 -2.108 -5.419 8.298 1.00 0.00 N ATOM 381 CA VAL A 28 -2.867 -5.776 7.106 1.00 0.00 C ATOM 382 C VAL A 28 -3.274 -7.245 7.132 1.00 0.00 C ATOM 383 O VAL A 28 -2.463 -8.129 6.850 1.00 0.00 O ATOM 384 CB VAL A 28 -2.061 -5.501 5.823 1.00 0.00 C ATOM 385 CG1 VAL A 28 -2.817 -5.995 4.600 1.00 0.00 C ATOM 386 CG2 VAL A 28 -1.744 -4.018 5.701 1.00 0.00 C ATOM 0 H VAL A 28 -1.097 -5.404 8.165 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.762 -5.154 7.104 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.120 -6.047 5.883 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.231 -5.792 3.704 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.987 -7.068 4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.775 -5.480 4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.174 -3.842 4.789 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.673 -3.449 5.664 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.157 -3.699 6.563 1.00 0.00 H new ATOM 396 N SER A 29 -4.532 -7.499 7.473 1.00 0.00 N ATOM 397 CA SER A 29 -5.046 -8.863 7.539 1.00 0.00 C ATOM 398 C SER A 29 -6.010 -9.137 6.389 1.00 0.00 C ATOM 399 O SER A 29 -6.400 -10.281 6.151 1.00 0.00 O ATOM 400 CB SER A 29 -5.750 -9.100 8.877 1.00 0.00 C ATOM 401 OG SER A 29 -6.810 -8.179 9.066 1.00 0.00 O ATOM 0 H SER A 29 -5.215 -6.779 7.708 1.00 0.00 H new ATOM 0 HA SER A 29 -4.202 -9.548 7.453 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.138 -10.118 8.912 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.032 -9.005 9.691 1.00 0.00 H new ATOM 0 HG SER A 29 -7.567 -8.430 8.496 1.00 0.00 H new ATOM 407 N ASP A 30 -6.389 -8.080 5.679 1.00 0.00 N ATOM 408 CA ASP A 30 -7.306 -8.207 4.552 1.00 0.00 C ATOM 409 C ASP A 30 -7.243 -6.971 3.660 1.00 0.00 C ATOM 410 O ASP A 30 -6.530 -6.012 3.958 1.00 0.00 O ATOM 411 CB ASP A 30 -8.737 -8.417 5.052 1.00 0.00 C ATOM 412 CG ASP A 30 -8.836 -9.542 6.064 1.00 0.00 C ATOM 413 OD1 ASP A 30 -9.008 -10.705 5.644 1.00 0.00 O ATOM 414 OD2 ASP A 30 -8.742 -9.258 7.277 1.00 0.00 O ATOM 0 H ASP A 30 -6.076 -7.127 5.863 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.004 -9.074 3.965 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.101 -7.494 5.502 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.387 -8.636 4.205 1.00 0.00 H new ATOM 419 N LEU A 31 -7.994 -7.000 2.564 1.00 0.00 N ATOM 420 CA LEU A 31 -8.022 -5.883 1.626 1.00 0.00 C ATOM 421 C LEU A 31 -9.400 -5.227 1.603 1.00 0.00 C ATOM 422 O LEU A 31 -9.983 -5.023 0.539 1.00 0.00 O ATOM 423 CB LEU A 31 -7.649 -6.360 0.222 1.00 0.00 C ATOM 424 CG LEU A 31 -6.429 -7.277 0.127 1.00 0.00 C ATOM 425 CD1 LEU A 31 -6.505 -8.139 -1.124 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.145 -6.461 0.137 1.00 0.00 C ATOM 0 H LEU A 31 -8.591 -7.785 2.303 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.292 -5.144 1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.506 -6.884 -0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.470 -5.484 -0.402 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.425 -7.934 0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.628 -8.785 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.406 -8.752 -1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.535 -7.499 -2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.288 -7.131 0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.141 -5.779 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.085 -5.888 1.062 1.00 0.00 H new ATOM 438 N SER A 32 -9.913 -4.899 2.784 1.00 0.00 N ATOM 439 CA SER A 32 -11.223 -4.268 2.900 1.00 0.00 C ATOM 440 C SER A 32 -11.151 -3.027 3.785 1.00 0.00 C ATOM 441 O SER A 32 -11.313 -1.902 3.311 1.00 0.00 O ATOM 442 CB SER A 32 -12.240 -5.257 3.470 1.00 0.00 C ATOM 443 OG SER A 32 -12.733 -6.121 2.460 1.00 0.00 O ATOM 0 H SER A 32 -9.442 -5.060 3.674 1.00 0.00 H new ATOM 0 HA SER A 32 -11.543 -3.964 1.903 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.776 -5.845 4.261 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.068 -4.712 3.922 1.00 0.00 H new ATOM 0 HG SER A 32 -13.380 -6.745 2.850 1.00 0.00 H new ATOM 449 N SER A 33 -10.907 -3.241 5.074 1.00 0.00 N ATOM 450 CA SER A 33 -10.818 -2.141 6.028 1.00 0.00 C ATOM 451 C SER A 33 -9.409 -2.034 6.604 1.00 0.00 C ATOM 452 O SER A 33 -9.009 -0.984 7.105 1.00 0.00 O ATOM 453 CB SER A 33 -11.830 -2.334 7.158 1.00 0.00 C ATOM 454 OG SER A 33 -12.048 -1.123 7.860 1.00 0.00 O ATOM 0 H SER A 33 -10.767 -4.165 5.482 1.00 0.00 H new ATOM 0 HA SER A 33 -11.047 -1.216 5.500 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.773 -2.695 6.748 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.469 -3.097 7.847 1.00 0.00 H new ATOM 0 HG SER A 33 -12.700 -1.273 8.576 1.00 0.00 H new ATOM 460 N SER A 34 -8.661 -3.131 6.528 1.00 0.00 N ATOM 461 CA SER A 34 -7.298 -3.164 7.046 1.00 0.00 C ATOM 462 C SER A 34 -6.476 -2.009 6.484 1.00 0.00 C ATOM 463 O SER A 34 -5.557 -1.512 7.135 1.00 0.00 O ATOM 464 CB SER A 34 -6.630 -4.496 6.699 1.00 0.00 C ATOM 465 OG SER A 34 -6.851 -5.457 7.716 1.00 0.00 O ATOM 0 H SER A 34 -8.976 -4.008 6.113 1.00 0.00 H new ATOM 0 HA SER A 34 -7.345 -3.061 8.130 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.022 -4.867 5.752 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.559 -4.345 6.563 1.00 0.00 H new ATOM 0 HG SER A 34 -6.248 -5.282 8.468 1.00 0.00 H new ATOM 471 N TRP A 35 -6.814 -1.584 5.272 1.00 0.00 N ATOM 472 CA TRP A 35 -6.108 -0.487 4.620 1.00 0.00 C ATOM 473 C TRP A 35 -6.875 0.821 4.774 1.00 0.00 C ATOM 474 O TRP A 35 -6.283 1.898 4.814 1.00 0.00 O ATOM 475 CB TRP A 35 -5.895 -0.798 3.138 1.00 0.00 C ATOM 476 CG TRP A 35 -5.087 -2.038 2.901 1.00 0.00 C ATOM 477 CD1 TRP A 35 -5.493 -3.328 3.083 1.00 0.00 C ATOM 478 CD2 TRP A 35 -3.732 -2.103 2.441 1.00 0.00 C ATOM 479 NE1 TRP A 35 -4.473 -4.192 2.763 1.00 0.00 N ATOM 480 CE2 TRP A 35 -3.383 -3.465 2.365 1.00 0.00 C ATOM 481 CE3 TRP A 35 -2.783 -1.143 2.083 1.00 0.00 C ATOM 482 CZ2 TRP A 35 -2.124 -3.888 1.949 1.00 0.00 C ATOM 483 CZ3 TRP A 35 -1.533 -1.565 1.669 1.00 0.00 C ATOM 484 CH2 TRP A 35 -1.213 -2.928 1.604 1.00 0.00 C ATOM 0 H TRP A 35 -7.574 -1.983 4.720 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.137 -0.376 5.102 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -6.866 -0.907 2.654 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.396 0.048 2.665 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.472 -3.626 3.428 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.520 -5.210 2.814 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.021 -0.091 2.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.875 -4.938 1.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.790 -0.832 1.391 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.228 -3.226 1.275 1.00 0.00 H new ATOM 495 N ALA A 36 -8.198 0.720 4.858 1.00 0.00 N ATOM 496 CA ALA A 36 -9.046 1.895 5.008 1.00 0.00 C ATOM 497 C ALA A 36 -8.428 2.898 5.976 1.00 0.00 C ATOM 498 O ALA A 36 -8.535 4.110 5.783 1.00 0.00 O ATOM 499 CB ALA A 36 -10.433 1.488 5.482 1.00 0.00 C ATOM 0 H ALA A 36 -8.705 -0.164 4.825 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.133 2.376 4.034 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.056 2.376 5.590 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.884 0.815 4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.355 0.981 6.444 1.00 0.00 H new ATOM 505 N ASP A 37 -7.781 2.387 7.017 1.00 0.00 N ATOM 506 CA ASP A 37 -7.144 3.238 8.015 1.00 0.00 C ATOM 507 C ASP A 37 -6.282 4.305 7.349 1.00 0.00 C ATOM 508 O ASP A 37 -6.327 5.476 7.722 1.00 0.00 O ATOM 509 CB ASP A 37 -6.292 2.396 8.967 1.00 0.00 C ATOM 510 CG ASP A 37 -5.157 1.687 8.253 1.00 0.00 C ATOM 511 OD1 ASP A 37 -5.397 1.132 7.160 1.00 0.00 O ATOM 512 OD2 ASP A 37 -4.029 1.689 8.787 1.00 0.00 O ATOM 0 H ASP A 37 -7.684 1.387 7.192 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.928 3.735 8.586 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.882 3.037 9.747 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.925 1.658 9.460 1.00 0.00 H new ATOM 517 N GLY A 38 -5.494 3.891 6.360 1.00 0.00 N ATOM 518 CA GLY A 38 -4.631 4.823 5.659 1.00 0.00 C ATOM 519 C GLY A 38 -3.161 4.517 5.864 1.00 0.00 C ATOM 520 O GLY A 38 -2.369 4.581 4.922 1.00 0.00 O ATOM 0 H GLY A 38 -5.439 2.927 6.032 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.860 4.795 4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.840 5.836 6.003 1.00 0.00 H new ATOM 524 N LEU A 39 -2.793 4.188 7.097 1.00 0.00 N ATOM 525 CA LEU A 39 -1.406 3.873 7.423 1.00 0.00 C ATOM 526 C LEU A 39 -0.884 2.741 6.545 1.00 0.00 C ATOM 527 O LEU A 39 0.212 2.826 5.991 1.00 0.00 O ATOM 528 CB LEU A 39 -1.283 3.489 8.898 1.00 0.00 C ATOM 529 CG LEU A 39 -1.013 4.638 9.871 1.00 0.00 C ATOM 530 CD1 LEU A 39 -1.062 4.143 11.308 1.00 0.00 C ATOM 531 CD2 LEU A 39 0.331 5.284 9.572 1.00 0.00 C ATOM 0 H LEU A 39 -3.435 4.132 7.888 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.803 4.761 7.234 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.204 2.992 9.201 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.479 2.759 8.997 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.791 5.390 9.741 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.868 4.974 11.986 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.048 3.728 11.516 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.305 3.372 11.453 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.507 6.099 10.274 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.122 4.541 9.673 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.328 5.675 8.555 1.00 0.00 H new ATOM 543 N ALA A 40 -1.675 1.680 6.423 1.00 0.00 N ATOM 544 CA ALA A 40 -1.296 0.532 5.609 1.00 0.00 C ATOM 545 C ALA A 40 -0.490 0.966 4.389 1.00 0.00 C ATOM 546 O ALA A 40 0.692 0.645 4.267 1.00 0.00 O ATOM 547 CB ALA A 40 -2.532 -0.244 5.180 1.00 0.00 C ATOM 0 H ALA A 40 -2.583 1.592 6.878 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.666 -0.119 6.215 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.233 -1.098 4.573 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.066 -0.596 6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.185 0.405 4.596 1.00 0.00 H new ATOM 553 N LEU A 41 -1.138 1.697 3.489 1.00 0.00 N ATOM 554 CA LEU A 41 -0.482 2.176 2.277 1.00 0.00 C ATOM 555 C LEU A 41 0.817 2.904 2.612 1.00 0.00 C ATOM 556 O LEU A 41 1.845 2.688 1.969 1.00 0.00 O ATOM 557 CB LEU A 41 -1.415 3.106 1.501 1.00 0.00 C ATOM 558 CG LEU A 41 -2.319 2.436 0.465 1.00 0.00 C ATOM 559 CD1 LEU A 41 -3.289 3.446 -0.129 1.00 0.00 C ATOM 560 CD2 LEU A 41 -1.486 1.787 -0.631 1.00 0.00 C ATOM 0 H LEU A 41 -2.117 1.971 3.575 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.244 1.312 1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.045 3.635 2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.808 3.856 0.994 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.896 1.658 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.924 2.952 -0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.909 3.864 0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.730 4.247 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.146 1.315 -1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.882 2.547 -1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.832 1.033 -0.193 1.00 0.00 H new ATOM 572 N CYS A 42 0.762 3.766 3.621 1.00 0.00 N ATOM 573 CA CYS A 42 1.934 4.525 4.043 1.00 0.00 C ATOM 574 C CYS A 42 3.139 3.608 4.227 1.00 0.00 C ATOM 575 O CYS A 42 4.159 3.766 3.559 1.00 0.00 O ATOM 576 CB CYS A 42 1.642 5.272 5.345 1.00 0.00 C ATOM 577 SG CYS A 42 0.121 6.249 5.310 1.00 0.00 S ATOM 0 H CYS A 42 -0.081 3.957 4.162 1.00 0.00 H new ATOM 0 HA CYS A 42 2.168 5.249 3.262 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.579 4.550 6.159 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.480 5.932 5.569 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.906 5.453 5.309 1.00 0.00 H new ATOM 583 N ALA A 43 3.012 2.650 5.141 1.00 0.00 N ATOM 584 CA ALA A 43 4.090 1.708 5.414 1.00 0.00 C ATOM 585 C ALA A 43 4.654 1.130 4.119 1.00 0.00 C ATOM 586 O ALA A 43 5.870 1.088 3.926 1.00 0.00 O ATOM 587 CB ALA A 43 3.597 0.591 6.321 1.00 0.00 C ATOM 0 H ALA A 43 2.174 2.507 5.704 1.00 0.00 H new ATOM 0 HA ALA A 43 4.891 2.246 5.921 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.412 -0.105 6.517 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.248 1.014 7.263 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.777 0.062 5.835 1.00 0.00 H new ATOM 593 N LEU A 44 3.766 0.687 3.238 1.00 0.00 N ATOM 594 CA LEU A 44 4.176 0.111 1.962 1.00 0.00 C ATOM 595 C LEU A 44 5.057 1.082 1.184 1.00 0.00 C ATOM 596 O LEU A 44 6.095 0.700 0.643 1.00 0.00 O ATOM 597 CB LEU A 44 2.947 -0.261 1.129 1.00 0.00 C ATOM 598 CG LEU A 44 3.211 -0.620 -0.333 1.00 0.00 C ATOM 599 CD1 LEU A 44 3.877 -1.984 -0.436 1.00 0.00 C ATOM 600 CD2 LEU A 44 1.916 -0.594 -1.131 1.00 0.00 C ATOM 0 H LEU A 44 2.757 0.715 3.383 1.00 0.00 H new ATOM 0 HA LEU A 44 4.754 -0.790 2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.452 -1.107 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.248 0.575 1.157 1.00 0.00 H new ATOM 0 HG LEU A 44 3.888 0.124 -0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.057 -2.223 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.826 -1.967 0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.226 -2.741 0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.123 -0.852 -2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.215 -1.315 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.480 0.404 -1.085 1.00 0.00 H new ATOM 612 N VAL A 45 4.637 2.343 1.132 1.00 0.00 N ATOM 613 CA VAL A 45 5.388 3.371 0.423 1.00 0.00 C ATOM 614 C VAL A 45 6.696 3.688 1.139 1.00 0.00 C ATOM 615 O VAL A 45 7.781 3.462 0.602 1.00 0.00 O ATOM 616 CB VAL A 45 4.569 4.667 0.278 1.00 0.00 C ATOM 617 CG1 VAL A 45 5.390 5.743 -0.415 1.00 0.00 C ATOM 618 CG2 VAL A 45 3.278 4.398 -0.480 1.00 0.00 C ATOM 0 H VAL A 45 3.780 2.676 1.573 1.00 0.00 H new ATOM 0 HA VAL A 45 5.606 2.975 -0.569 1.00 0.00 H new ATOM 0 HB VAL A 45 4.311 5.027 1.274 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.795 6.651 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.284 5.954 0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.681 5.396 -1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.711 5.324 -0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.512 4.014 -1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.684 3.663 0.063 1.00 0.00 H new ATOM 628 N TYR A 46 6.588 4.210 2.355 1.00 0.00 N ATOM 629 CA TYR A 46 7.762 4.560 3.146 1.00 0.00 C ATOM 630 C TYR A 46 8.775 3.419 3.151 1.00 0.00 C ATOM 631 O TYR A 46 9.978 3.642 3.019 1.00 0.00 O ATOM 632 CB TYR A 46 7.354 4.901 4.580 1.00 0.00 C ATOM 633 CG TYR A 46 6.659 6.238 4.710 1.00 0.00 C ATOM 634 CD1 TYR A 46 7.373 7.427 4.604 1.00 0.00 C ATOM 635 CD2 TYR A 46 5.292 6.313 4.940 1.00 0.00 C ATOM 636 CE1 TYR A 46 6.742 8.651 4.723 1.00 0.00 C ATOM 637 CE2 TYR A 46 4.653 7.532 5.058 1.00 0.00 C ATOM 638 CZ TYR A 46 5.382 8.698 4.950 1.00 0.00 C ATOM 639 OH TYR A 46 4.750 9.914 5.069 1.00 0.00 O ATOM 0 H TYR A 46 5.698 4.401 2.815 1.00 0.00 H new ATOM 0 HA TYR A 46 8.228 5.434 2.691 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.694 4.120 4.957 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.242 4.900 5.212 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.438 7.393 4.426 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.718 5.402 5.028 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.310 9.565 4.639 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.588 7.572 5.234 1.00 0.00 H new ATOM 0 HH TYR A 46 4.118 10.028 4.329 1.00 0.00 H new ATOM 649 N ARG A 47 8.277 2.196 3.303 1.00 0.00 N ATOM 650 CA ARG A 47 9.137 1.019 3.325 1.00 0.00 C ATOM 651 C ARG A 47 9.773 0.783 1.959 1.00 0.00 C ATOM 652 O ARG A 47 10.993 0.667 1.841 1.00 0.00 O ATOM 653 CB ARG A 47 8.337 -0.215 3.748 1.00 0.00 C ATOM 654 CG ARG A 47 9.108 -1.518 3.607 1.00 0.00 C ATOM 655 CD ARG A 47 9.907 -1.830 4.862 1.00 0.00 C ATOM 656 NE ARG A 47 11.032 -2.721 4.587 1.00 0.00 N ATOM 657 CZ ARG A 47 11.675 -3.404 5.527 1.00 0.00 C ATOM 658 NH1 ARG A 47 11.306 -3.301 6.795 1.00 0.00 N ATOM 659 NH2 ARG A 47 12.690 -4.193 5.198 1.00 0.00 N ATOM 0 H ARG A 47 7.283 1.995 3.413 1.00 0.00 H new ATOM 0 HA ARG A 47 9.932 1.195 4.050 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.025 -0.097 4.786 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.429 -0.273 3.147 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.413 -2.333 3.404 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.781 -1.453 2.752 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.278 -0.901 5.296 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.253 -2.290 5.603 1.00 0.00 H new ATOM 0 HE ARG A 47 11.340 -2.824 3.620 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.526 -2.696 7.052 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.802 -3.827 7.515 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.977 -4.275 4.223 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.183 -4.717 5.921 1.00 0.00 H new ATOM 673 N LEU A 48 8.937 0.713 0.928 1.00 0.00 N ATOM 674 CA LEU A 48 9.416 0.490 -0.431 1.00 0.00 C ATOM 675 C LEU A 48 10.643 1.349 -0.724 1.00 0.00 C ATOM 676 O LEU A 48 11.617 0.876 -1.307 1.00 0.00 O ATOM 677 CB LEU A 48 8.310 0.801 -1.441 1.00 0.00 C ATOM 678 CG LEU A 48 7.390 -0.365 -1.807 1.00 0.00 C ATOM 679 CD1 LEU A 48 6.232 0.119 -2.666 1.00 0.00 C ATOM 680 CD2 LEU A 48 8.170 -1.456 -2.525 1.00 0.00 C ATOM 0 H LEU A 48 7.925 0.808 1.008 1.00 0.00 H new ATOM 0 HA LEU A 48 9.698 -0.559 -0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.698 1.610 -1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.774 1.173 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 48 6.983 -0.784 -0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.588 -0.724 -2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.657 0.864 -2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.620 0.564 -3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.499 -2.277 -2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.607 -1.051 -3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.964 -1.823 -1.875 1.00 0.00 H new ATOM 692 N GLN A 49 10.587 2.611 -0.312 1.00 0.00 N ATOM 693 CA GLN A 49 11.693 3.535 -0.529 1.00 0.00 C ATOM 694 C GLN A 49 12.035 4.286 0.754 1.00 0.00 C ATOM 695 O GLN A 49 11.356 5.236 1.145 1.00 0.00 O ATOM 696 CB GLN A 49 11.346 4.529 -1.639 1.00 0.00 C ATOM 697 CG GLN A 49 12.441 5.548 -1.908 1.00 0.00 C ATOM 698 CD GLN A 49 12.046 6.567 -2.958 1.00 0.00 C ATOM 699 OE1 GLN A 49 12.334 7.757 -2.825 1.00 0.00 O ATOM 700 NE2 GLN A 49 11.381 6.106 -4.011 1.00 0.00 N ATOM 0 H GLN A 49 9.787 3.017 0.174 1.00 0.00 H new ATOM 0 HA GLN A 49 12.564 2.954 -0.831 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.140 3.978 -2.557 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.430 5.055 -1.371 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.687 6.065 -0.980 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.343 5.029 -2.232 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.163 5.112 -4.081 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.088 6.746 -4.749 1.00 0.00 H new ATOM 709 N PRO A 50 13.112 3.852 1.425 1.00 0.00 N ATOM 710 CA PRO A 50 13.568 4.469 2.674 1.00 0.00 C ATOM 711 C PRO A 50 14.145 5.864 2.454 1.00 0.00 C ATOM 712 O PRO A 50 14.295 6.640 3.397 1.00 0.00 O ATOM 713 CB PRO A 50 14.656 3.512 3.166 1.00 0.00 C ATOM 714 CG PRO A 50 15.154 2.838 1.934 1.00 0.00 C ATOM 715 CD PRO A 50 13.968 2.725 1.016 1.00 0.00 C ATOM 0 HA PRO A 50 12.751 4.607 3.382 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.456 4.050 3.674 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.256 2.790 3.878 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.954 3.415 1.469 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.564 1.855 2.165 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.261 2.802 -0.031 1.00 0.00 H new ATOM 0 HD3 PRO A 50 13.458 1.769 1.134 1.00 0.00 H new ATOM 723 N GLY A 51 14.468 6.176 1.202 1.00 0.00 N ATOM 724 CA GLY A 51 15.023 7.477 0.882 1.00 0.00 C ATOM 725 C GLY A 51 14.025 8.600 1.081 1.00 0.00 C ATOM 726 O GLY A 51 14.404 9.732 1.386 1.00 0.00 O ATOM 0 H GLY A 51 14.355 5.550 0.404 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.898 7.658 1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.364 7.478 -0.153 1.00 0.00 H new ATOM 730 N LEU A 52 12.745 8.289 0.906 1.00 0.00 N ATOM 731 CA LEU A 52 11.688 9.282 1.068 1.00 0.00 C ATOM 732 C LEU A 52 11.492 9.634 2.539 1.00 0.00 C ATOM 733 O LEU A 52 11.774 8.826 3.425 1.00 0.00 O ATOM 734 CB LEU A 52 10.377 8.759 0.478 1.00 0.00 C ATOM 735 CG LEU A 52 10.166 9.011 -1.016 1.00 0.00 C ATOM 736 CD1 LEU A 52 9.355 7.885 -1.638 1.00 0.00 C ATOM 737 CD2 LEU A 52 9.480 10.352 -1.238 1.00 0.00 C ATOM 0 H LEU A 52 12.414 7.358 0.652 1.00 0.00 H new ATOM 0 HA LEU A 52 11.986 10.185 0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.325 7.685 0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.550 9.213 1.023 1.00 0.00 H new ATOM 0 HG LEU A 52 11.141 9.039 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.215 8.082 -2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.885 6.941 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.383 7.824 -1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.338 10.515 -2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.511 10.352 -0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.099 11.150 -0.828 1.00 0.00 H new ATOM 749 N LEU A 53 11.007 10.844 2.792 1.00 0.00 N ATOM 750 CA LEU A 53 10.770 11.305 4.156 1.00 0.00 C ATOM 751 C LEU A 53 10.013 10.253 4.962 1.00 0.00 C ATOM 752 O LEU A 53 9.634 9.208 4.434 1.00 0.00 O ATOM 753 CB LEU A 53 9.983 12.616 4.144 1.00 0.00 C ATOM 754 CG LEU A 53 8.540 12.529 3.647 1.00 0.00 C ATOM 755 CD1 LEU A 53 8.412 11.476 2.558 1.00 0.00 C ATOM 756 CD2 LEU A 53 7.597 12.223 4.801 1.00 0.00 C ATOM 0 H LEU A 53 10.770 11.525 2.070 1.00 0.00 H new ATOM 0 HA LEU A 53 11.738 11.474 4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.974 13.020 5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.518 13.332 3.520 1.00 0.00 H new ATOM 0 HG LEU A 53 8.263 13.494 3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.378 11.429 2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.059 11.738 1.721 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.708 10.505 2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.574 12.165 4.429 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.873 11.271 5.254 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.667 13.014 5.548 1.00 0.00 H new ATOM 768 N GLU A 54 9.797 10.537 6.242 1.00 0.00 N ATOM 769 CA GLU A 54 9.086 9.616 7.120 1.00 0.00 C ATOM 770 C GLU A 54 7.714 10.170 7.493 1.00 0.00 C ATOM 771 O GLU A 54 7.473 11.377 7.458 1.00 0.00 O ATOM 772 CB GLU A 54 9.902 9.349 8.386 1.00 0.00 C ATOM 773 CG GLU A 54 10.442 10.609 9.038 1.00 0.00 C ATOM 774 CD GLU A 54 11.372 10.314 10.199 1.00 0.00 C ATOM 775 OE1 GLU A 54 11.198 9.260 10.845 1.00 0.00 O ATOM 776 OE2 GLU A 54 12.275 11.136 10.461 1.00 0.00 O ATOM 0 H GLU A 54 10.104 11.398 6.694 1.00 0.00 H new ATOM 0 HA GLU A 54 8.946 8.678 6.583 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.279 8.817 9.104 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.736 8.692 8.139 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.974 11.200 8.292 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.609 11.217 9.391 1.00 0.00 H new ATOM 783 N PRO A 55 6.791 9.269 7.858 1.00 0.00 N ATOM 784 CA PRO A 55 5.427 9.643 8.244 1.00 0.00 C ATOM 785 C PRO A 55 5.383 10.374 9.582 1.00 0.00 C ATOM 786 O PRO A 55 4.311 10.608 10.138 1.00 0.00 O ATOM 787 CB PRO A 55 4.705 8.298 8.347 1.00 0.00 C ATOM 788 CG PRO A 55 5.783 7.310 8.635 1.00 0.00 C ATOM 789 CD PRO A 55 7.007 7.814 7.922 1.00 0.00 C ATOM 0 HA PRO A 55 4.976 10.331 7.529 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.957 8.310 9.140 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.184 8.056 7.421 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.962 7.229 9.707 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.507 6.317 8.282 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.919 7.567 8.466 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.101 7.378 6.928 1.00 0.00 H new ATOM 797 N SER A 56 6.557 10.732 10.094 1.00 0.00 N ATOM 798 CA SER A 56 6.653 11.433 11.368 1.00 0.00 C ATOM 799 C SER A 56 5.438 12.329 11.589 1.00 0.00 C ATOM 800 O SER A 56 4.951 12.467 12.710 1.00 0.00 O ATOM 801 CB SER A 56 7.934 12.270 11.419 1.00 0.00 C ATOM 802 OG SER A 56 7.981 13.196 10.348 1.00 0.00 O ATOM 0 H SER A 56 7.454 10.548 9.645 1.00 0.00 H new ATOM 0 HA SER A 56 6.682 10.688 12.163 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.986 12.804 12.368 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.803 11.614 11.375 1.00 0.00 H new ATOM 0 HG SER A 56 8.808 13.719 10.404 1.00 0.00 H new ATOM 808 N GLU A 57 4.954 12.935 10.509 1.00 0.00 N ATOM 809 CA GLU A 57 3.797 13.819 10.583 1.00 0.00 C ATOM 810 C GLU A 57 2.498 13.017 10.557 1.00 0.00 C ATOM 811 O GLU A 57 1.589 13.260 11.351 1.00 0.00 O ATOM 812 CB GLU A 57 3.815 14.820 9.426 1.00 0.00 C ATOM 813 CG GLU A 57 5.134 15.560 9.283 1.00 0.00 C ATOM 814 CD GLU A 57 5.300 16.660 10.313 1.00 0.00 C ATOM 815 OE1 GLU A 57 5.486 16.333 11.504 1.00 0.00 O ATOM 816 OE2 GLU A 57 5.243 17.847 9.929 1.00 0.00 O ATOM 0 H GLU A 57 5.345 12.830 9.573 1.00 0.00 H new ATOM 0 HA GLU A 57 3.849 14.365 11.525 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.601 14.292 8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.015 15.546 9.572 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.956 14.851 9.378 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.198 15.990 8.284 1.00 0.00 H new ATOM 823 N LEU A 58 2.418 12.061 9.638 1.00 0.00 N ATOM 824 CA LEU A 58 1.232 11.223 9.507 1.00 0.00 C ATOM 825 C LEU A 58 0.787 10.691 10.865 1.00 0.00 C ATOM 826 O LEU A 58 -0.375 10.330 11.050 1.00 0.00 O ATOM 827 CB LEU A 58 1.510 10.057 8.556 1.00 0.00 C ATOM 828 CG LEU A 58 1.302 10.340 7.068 1.00 0.00 C ATOM 829 CD1 LEU A 58 2.350 11.317 6.559 1.00 0.00 C ATOM 830 CD2 LEU A 58 1.343 9.046 6.268 1.00 0.00 C ATOM 0 H LEU A 58 3.161 11.847 8.973 1.00 0.00 H new ATOM 0 HA LEU A 58 0.429 11.835 9.097 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.540 9.732 8.703 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.869 9.222 8.840 1.00 0.00 H new ATOM 0 HG LEU A 58 0.319 10.793 6.938 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.186 11.506 5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.273 12.254 7.111 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.344 10.892 6.702 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.193 9.267 5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.311 8.564 6.404 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.554 8.379 6.615 1.00 0.00 H new ATOM 842 N GLN A 59 1.719 10.651 11.813 1.00 0.00 N ATOM 843 CA GLN A 59 1.421 10.164 13.155 1.00 0.00 C ATOM 844 C GLN A 59 0.258 10.938 13.768 1.00 0.00 C ATOM 845 O GLN A 59 -0.575 10.371 14.474 1.00 0.00 O ATOM 846 CB GLN A 59 2.656 10.284 14.049 1.00 0.00 C ATOM 847 CG GLN A 59 3.736 9.262 13.735 1.00 0.00 C ATOM 848 CD GLN A 59 3.507 7.937 14.435 1.00 0.00 C ATOM 849 OE1 GLN A 59 2.794 7.866 15.436 1.00 0.00 O ATOM 850 NE2 GLN A 59 4.112 6.878 13.911 1.00 0.00 N ATOM 0 H GLN A 59 2.685 10.949 11.677 1.00 0.00 H new ATOM 0 HA GLN A 59 1.136 9.115 13.079 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.074 11.285 13.945 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.353 10.172 15.090 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.773 9.098 12.658 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.706 9.662 14.030 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.694 6.983 13.080 1.00 0.00 H new ATOM 0 HE22 GLN A 59 3.995 5.960 14.339 1.00 0.00 H new ATOM 859 N GLY A 60 0.208 12.238 13.495 1.00 0.00 N ATOM 860 CA GLY A 60 -0.857 13.069 14.027 1.00 0.00 C ATOM 861 C GLY A 60 -1.798 13.567 12.949 1.00 0.00 C ATOM 862 O GLY A 60 -2.175 14.738 12.936 1.00 0.00 O ATOM 0 H GLY A 60 0.886 12.731 12.915 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.423 12.500 14.765 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.422 13.922 14.548 1.00 0.00 H new ATOM 866 N LEU A 61 -2.179 12.675 12.041 1.00 0.00 N ATOM 867 CA LEU A 61 -3.082 13.031 10.952 1.00 0.00 C ATOM 868 C LEU A 61 -4.336 12.161 10.978 1.00 0.00 C ATOM 869 O LEU A 61 -4.387 11.148 11.674 1.00 0.00 O ATOM 870 CB LEU A 61 -2.373 12.882 9.604 1.00 0.00 C ATOM 871 CG LEU A 61 -1.479 14.049 9.185 1.00 0.00 C ATOM 872 CD1 LEU A 61 -0.630 13.666 7.983 1.00 0.00 C ATOM 873 CD2 LEU A 61 -2.319 15.280 8.876 1.00 0.00 C ATOM 0 H LEU A 61 -1.877 11.701 12.037 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.380 14.071 11.086 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.766 11.977 9.633 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.129 12.734 8.833 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.812 14.287 10.014 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.000 14.509 7.699 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.001 12.813 8.239 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.279 13.401 7.149 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.666 16.101 8.579 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.010 15.054 8.064 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.883 15.567 9.763 1.00 0.00 H new ATOM 885 N GLY A 62 -5.345 12.563 10.211 1.00 0.00 N ATOM 886 CA GLY A 62 -6.583 11.809 10.158 1.00 0.00 C ATOM 887 C GLY A 62 -6.461 10.553 9.319 1.00 0.00 C ATOM 888 O GLY A 62 -5.603 10.465 8.441 1.00 0.00 O ATOM 0 H GLY A 62 -5.327 13.398 9.625 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.884 11.538 11.170 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.372 12.440 9.749 1.00 0.00 H new ATOM 892 N ALA A 63 -7.323 9.577 9.588 1.00 0.00 N ATOM 893 CA ALA A 63 -7.309 8.320 8.851 1.00 0.00 C ATOM 894 C ALA A 63 -7.223 8.566 7.348 1.00 0.00 C ATOM 895 O ALA A 63 -6.589 7.803 6.618 1.00 0.00 O ATOM 896 CB ALA A 63 -8.545 7.499 9.183 1.00 0.00 C ATOM 0 H ALA A 63 -8.040 9.634 10.311 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.424 7.761 9.153 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.521 6.563 8.625 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.563 7.284 10.251 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.439 8.061 8.911 1.00 0.00 H new ATOM 902 N LEU A 64 -7.866 9.635 6.891 1.00 0.00 N ATOM 903 CA LEU A 64 -7.863 9.982 5.474 1.00 0.00 C ATOM 904 C LEU A 64 -6.591 10.736 5.101 1.00 0.00 C ATOM 905 O LEU A 64 -5.924 10.401 4.123 1.00 0.00 O ATOM 906 CB LEU A 64 -9.091 10.829 5.134 1.00 0.00 C ATOM 907 CG LEU A 64 -9.657 10.655 3.724 1.00 0.00 C ATOM 908 CD1 LEU A 64 -10.036 9.202 3.477 1.00 0.00 C ATOM 909 CD2 LEU A 64 -10.859 11.564 3.515 1.00 0.00 C ATOM 0 H LEU A 64 -8.396 10.276 7.481 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.897 9.057 4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.878 10.596 5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.833 11.879 5.273 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.886 10.936 3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.437 9.097 2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.153 8.572 3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.790 8.895 4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.248 11.426 2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.634 11.315 4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.557 12.603 3.649 1.00 0.00 H new ATOM 921 N GLU A 65 -6.261 11.756 5.888 1.00 0.00 N ATOM 922 CA GLU A 65 -5.068 12.557 5.640 1.00 0.00 C ATOM 923 C GLU A 65 -3.878 11.666 5.291 1.00 0.00 C ATOM 924 O GLU A 65 -3.047 12.024 4.457 1.00 0.00 O ATOM 925 CB GLU A 65 -4.737 13.412 6.864 1.00 0.00 C ATOM 926 CG GLU A 65 -5.611 14.648 6.999 1.00 0.00 C ATOM 927 CD GLU A 65 -5.548 15.542 5.777 1.00 0.00 C ATOM 928 OE1 GLU A 65 -4.619 16.374 5.696 1.00 0.00 O ATOM 929 OE2 GLU A 65 -6.427 15.410 4.900 1.00 0.00 O ATOM 0 H GLU A 65 -6.803 12.047 6.702 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.271 13.212 4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.843 12.803 7.762 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.693 13.720 6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.643 14.342 7.168 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.299 15.215 7.876 1.00 0.00 H new ATOM 936 N ALA A 66 -3.805 10.507 5.936 1.00 0.00 N ATOM 937 CA ALA A 66 -2.719 9.565 5.693 1.00 0.00 C ATOM 938 C ALA A 66 -2.766 9.028 4.266 1.00 0.00 C ATOM 939 O ALA A 66 -1.858 9.269 3.471 1.00 0.00 O ATOM 940 CB ALA A 66 -2.781 8.420 6.692 1.00 0.00 C ATOM 0 H ALA A 66 -4.485 10.197 6.631 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.775 10.095 5.822 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.964 7.724 6.499 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.690 8.815 7.704 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.733 7.899 6.590 1.00 0.00 H new ATOM 946 N THR A 67 -3.832 8.299 3.948 1.00 0.00 N ATOM 947 CA THR A 67 -3.996 7.727 2.618 1.00 0.00 C ATOM 948 C THR A 67 -3.619 8.732 1.536 1.00 0.00 C ATOM 949 O THR A 67 -2.983 8.379 0.543 1.00 0.00 O ATOM 950 CB THR A 67 -5.445 7.257 2.384 1.00 0.00 C ATOM 951 OG1 THR A 67 -5.891 6.473 3.495 1.00 0.00 O ATOM 952 CG2 THR A 67 -5.549 6.441 1.104 1.00 0.00 C ATOM 0 H THR A 67 -4.594 8.091 4.594 1.00 0.00 H new ATOM 0 HA THR A 67 -3.328 6.867 2.559 1.00 0.00 H new ATOM 0 HB THR A 67 -6.079 8.138 2.286 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.547 5.813 3.187 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.581 6.120 0.960 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.237 7.052 0.257 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.904 5.566 1.177 1.00 0.00 H new ATOM 960 N ALA A 68 -4.012 9.986 1.737 1.00 0.00 N ATOM 961 CA ALA A 68 -3.712 11.043 0.779 1.00 0.00 C ATOM 962 C ALA A 68 -2.226 11.065 0.433 1.00 0.00 C ATOM 963 O ALA A 68 -1.852 11.033 -0.738 1.00 0.00 O ATOM 964 CB ALA A 68 -4.148 12.393 1.328 1.00 0.00 C ATOM 0 H ALA A 68 -4.539 10.294 2.554 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.268 10.839 -0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.918 13.173 0.602 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.221 12.379 1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.618 12.596 2.259 1.00 0.00 H new ATOM 970 N TRP A 69 -1.386 11.122 1.460 1.00 0.00 N ATOM 971 CA TRP A 69 0.059 11.150 1.265 1.00 0.00 C ATOM 972 C TRP A 69 0.516 9.969 0.418 1.00 0.00 C ATOM 973 O TRP A 69 1.062 10.148 -0.671 1.00 0.00 O ATOM 974 CB TRP A 69 0.777 11.134 2.615 1.00 0.00 C ATOM 975 CG TRP A 69 2.268 11.034 2.493 1.00 0.00 C ATOM 976 CD1 TRP A 69 3.153 12.070 2.399 1.00 0.00 C ATOM 977 CD2 TRP A 69 3.046 9.833 2.451 1.00 0.00 C ATOM 978 NE1 TRP A 69 4.435 11.584 2.301 1.00 0.00 N ATOM 979 CE2 TRP A 69 4.396 10.215 2.331 1.00 0.00 C ATOM 980 CE3 TRP A 69 2.734 8.472 2.505 1.00 0.00 C ATOM 981 CZ2 TRP A 69 5.430 9.285 2.264 1.00 0.00 C ATOM 982 CZ3 TRP A 69 3.761 7.550 2.438 1.00 0.00 C ATOM 983 CH2 TRP A 69 5.096 7.959 2.319 1.00 0.00 C ATOM 0 H TRP A 69 -1.680 11.150 2.436 1.00 0.00 H new ATOM 0 HA TRP A 69 0.312 12.070 0.738 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.524 12.041 3.164 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.410 10.293 3.204 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.885 13.116 2.401 1.00 0.00 H new ATOM 0 HE1 TRP A 69 5.279 12.151 2.219 1.00 0.00 H new ATOM 0 HE3 TRP A 69 1.708 8.147 2.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.459 9.599 2.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.531 6.496 2.478 1.00 0.00 H new ATOM 0 HH2 TRP A 69 5.876 7.214 2.270 1.00 0.00 H new ATOM 994 N ALA A 70 0.290 8.760 0.923 1.00 0.00 N ATOM 995 CA ALA A 70 0.678 7.549 0.211 1.00 0.00 C ATOM 996 C ALA A 70 0.413 7.684 -1.285 1.00 0.00 C ATOM 997 O ALA A 70 1.325 7.551 -2.102 1.00 0.00 O ATOM 998 CB ALA A 70 -0.063 6.346 0.773 1.00 0.00 C ATOM 0 H ALA A 70 -0.160 8.594 1.823 1.00 0.00 H new ATOM 0 HA ALA A 70 1.749 7.401 0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.237 5.449 0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.179 6.230 1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.137 6.495 0.661 1.00 0.00 H new ATOM 1004 N LEU A 71 -0.841 7.946 -1.638 1.00 0.00 N ATOM 1005 CA LEU A 71 -1.227 8.098 -3.036 1.00 0.00 C ATOM 1006 C LEU A 71 -0.369 9.155 -3.726 1.00 0.00 C ATOM 1007 O LEU A 71 -0.060 9.042 -4.912 1.00 0.00 O ATOM 1008 CB LEU A 71 -2.705 8.477 -3.140 1.00 0.00 C ATOM 1009 CG LEU A 71 -3.706 7.355 -2.869 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -5.034 7.927 -2.397 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -3.903 6.503 -4.114 1.00 0.00 C ATOM 0 H LEU A 71 -1.608 8.058 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.068 7.143 -3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.901 9.289 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.890 8.868 -4.141 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.305 6.720 -2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.734 7.113 -2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.880 8.493 -1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.440 8.585 -3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.619 5.709 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.281 7.126 -4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.950 6.063 -4.408 1.00 0.00 H new ATOM 1023 N LYS A 72 0.014 10.181 -2.975 1.00 0.00 N ATOM 1024 CA LYS A 72 0.839 11.257 -3.510 1.00 0.00 C ATOM 1025 C LYS A 72 2.285 10.802 -3.678 1.00 0.00 C ATOM 1026 O LYS A 72 2.797 10.726 -4.796 1.00 0.00 O ATOM 1027 CB LYS A 72 0.781 12.479 -2.591 1.00 0.00 C ATOM 1028 CG LYS A 72 1.020 13.794 -3.312 1.00 0.00 C ATOM 1029 CD LYS A 72 1.369 14.908 -2.339 1.00 0.00 C ATOM 1030 CE LYS A 72 1.164 16.280 -2.964 1.00 0.00 C ATOM 1031 NZ LYS A 72 2.037 17.311 -2.338 1.00 0.00 N ATOM 0 H LYS A 72 -0.234 10.290 -1.992 1.00 0.00 H new ATOM 0 HA LYS A 72 0.446 11.529 -4.490 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.195 12.512 -2.106 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.525 12.366 -1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.828 13.673 -4.033 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.128 14.068 -3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.751 14.818 -1.445 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.406 14.803 -2.021 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.373 16.227 -4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.120 16.575 -2.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.867 18.231 -2.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.820 17.380 -1.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.034 17.043 -2.461 1.00 0.00 H new ATOM 1045 N VAL A 73 2.939 10.498 -2.561 1.00 0.00 N ATOM 1046 CA VAL A 73 4.325 10.048 -2.585 1.00 0.00 C ATOM 1047 C VAL A 73 4.491 8.828 -3.485 1.00 0.00 C ATOM 1048 O VAL A 73 5.591 8.533 -3.949 1.00 0.00 O ATOM 1049 CB VAL A 73 4.827 9.701 -1.171 1.00 0.00 C ATOM 1050 CG1 VAL A 73 6.128 8.917 -1.243 1.00 0.00 C ATOM 1051 CG2 VAL A 73 5.002 10.965 -0.342 1.00 0.00 C ATOM 0 H VAL A 73 2.531 10.555 -1.628 1.00 0.00 H new ATOM 0 HA VAL A 73 4.919 10.872 -2.981 1.00 0.00 H new ATOM 0 HB VAL A 73 4.080 9.075 -0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.467 8.681 -0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.965 7.992 -1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.886 9.515 -1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.357 10.701 0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.728 11.619 -0.825 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.046 11.482 -0.261 1.00 0.00 H new ATOM 1061 N ALA A 74 3.391 8.123 -3.727 1.00 0.00 N ATOM 1062 CA ALA A 74 3.414 6.938 -4.575 1.00 0.00 C ATOM 1063 C ALA A 74 3.261 7.310 -6.045 1.00 0.00 C ATOM 1064 O ALA A 74 3.820 6.652 -6.922 1.00 0.00 O ATOM 1065 CB ALA A 74 2.317 5.969 -4.156 1.00 0.00 C ATOM 0 H ALA A 74 2.472 8.352 -3.348 1.00 0.00 H new ATOM 0 HA ALA A 74 4.381 6.452 -4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.345 5.088 -4.797 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.473 5.669 -3.120 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.346 6.456 -4.250 1.00 0.00 H new ATOM 1071 N GLU A 75 2.500 8.368 -6.307 1.00 0.00 N ATOM 1072 CA GLU A 75 2.274 8.826 -7.673 1.00 0.00 C ATOM 1073 C GLU A 75 3.371 9.789 -8.113 1.00 0.00 C ATOM 1074 O GLU A 75 3.582 10.004 -9.306 1.00 0.00 O ATOM 1075 CB GLU A 75 0.907 9.507 -7.786 1.00 0.00 C ATOM 1076 CG GLU A 75 0.656 10.145 -9.142 1.00 0.00 C ATOM 1077 CD GLU A 75 1.400 11.456 -9.317 1.00 0.00 C ATOM 1078 OE1 GLU A 75 1.636 12.143 -8.302 1.00 0.00 O ATOM 1079 OE2 GLU A 75 1.744 11.792 -10.468 1.00 0.00 O ATOM 0 H GLU A 75 2.030 8.924 -5.592 1.00 0.00 H new ATOM 0 HA GLU A 75 2.295 7.956 -8.329 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.127 8.772 -7.590 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.826 10.272 -7.013 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.959 9.452 -9.927 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.413 10.319 -9.265 1.00 0.00 H new ATOM 1086 N ASN A 76 4.070 10.367 -7.140 1.00 0.00 N ATOM 1087 CA ASN A 76 5.146 11.308 -7.427 1.00 0.00 C ATOM 1088 C ASN A 76 6.483 10.584 -7.553 1.00 0.00 C ATOM 1089 O ASN A 76 7.163 10.688 -8.573 1.00 0.00 O ATOM 1090 CB ASN A 76 5.229 12.369 -6.327 1.00 0.00 C ATOM 1091 CG ASN A 76 4.285 13.530 -6.573 1.00 0.00 C ATOM 1092 OD1 ASN A 76 4.066 13.937 -7.714 1.00 0.00 O ATOM 1093 ND2 ASN A 76 3.720 14.070 -5.499 1.00 0.00 N ATOM 0 H ASN A 76 3.910 10.200 -6.147 1.00 0.00 H new ATOM 0 HA ASN A 76 4.926 11.795 -8.377 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.995 11.911 -5.366 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.251 12.742 -6.262 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.076 14.854 -5.601 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.930 13.700 -4.572 1.00 0.00 H new ATOM 1100 N GLU A 77 6.853 9.850 -6.507 1.00 0.00 N ATOM 1101 CA GLU A 77 8.108 9.109 -6.501 1.00 0.00 C ATOM 1102 C GLU A 77 7.952 7.768 -7.213 1.00 0.00 C ATOM 1103 O GLU A 77 8.439 7.584 -8.329 1.00 0.00 O ATOM 1104 CB GLU A 77 8.587 8.884 -5.065 1.00 0.00 C ATOM 1105 CG GLU A 77 9.485 9.993 -4.542 1.00 0.00 C ATOM 1106 CD GLU A 77 10.527 10.426 -5.556 1.00 0.00 C ATOM 1107 OE1 GLU A 77 11.473 9.648 -5.800 1.00 0.00 O ATOM 1108 OE2 GLU A 77 10.397 11.541 -6.101 1.00 0.00 O ATOM 0 H GLU A 77 6.302 9.753 -5.654 1.00 0.00 H new ATOM 0 HA GLU A 77 8.851 9.700 -7.036 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.719 8.792 -4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.126 7.938 -5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.873 10.852 -4.266 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.985 9.653 -3.635 1.00 0.00 H new ATOM 1115 N LEU A 78 7.271 6.834 -6.558 1.00 0.00 N ATOM 1116 CA LEU A 78 7.050 5.509 -7.127 1.00 0.00 C ATOM 1117 C LEU A 78 6.410 5.609 -8.508 1.00 0.00 C ATOM 1118 O LEU A 78 6.642 4.765 -9.373 1.00 0.00 O ATOM 1119 CB LEU A 78 6.163 4.676 -6.200 1.00 0.00 C ATOM 1120 CG LEU A 78 6.474 4.773 -4.707 1.00 0.00 C ATOM 1121 CD1 LEU A 78 5.549 3.868 -3.908 1.00 0.00 C ATOM 1122 CD2 LEU A 78 7.930 4.418 -4.441 1.00 0.00 C ATOM 0 H LEU A 78 6.863 6.970 -5.633 1.00 0.00 H new ATOM 0 HA LEU A 78 8.018 5.019 -7.231 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.127 4.977 -6.355 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.240 3.631 -6.499 1.00 0.00 H new ATOM 0 HG LEU A 78 6.307 5.802 -4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.786 3.951 -2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.514 4.168 -4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.683 2.835 -4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.133 4.493 -3.373 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.123 3.399 -4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.577 5.108 -4.983 1.00 0.00 H new ATOM 1134 N GLY A 79 5.605 6.648 -8.708 1.00 0.00 N ATOM 1135 CA GLY A 79 4.945 6.839 -9.986 1.00 0.00 C ATOM 1136 C GLY A 79 3.668 6.032 -10.108 1.00 0.00 C ATOM 1137 O GLY A 79 3.031 6.020 -11.161 1.00 0.00 O ATOM 0 H GLY A 79 5.398 7.361 -8.008 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.716 7.896 -10.118 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.627 6.557 -10.789 1.00 0.00 H new ATOM 1141 N ILE A 80 3.295 5.354 -9.028 1.00 0.00 N ATOM 1142 CA ILE A 80 2.086 4.540 -9.019 1.00 0.00 C ATOM 1143 C ILE A 80 0.835 5.411 -9.079 1.00 0.00 C ATOM 1144 O ILE A 80 0.295 5.814 -8.047 1.00 0.00 O ATOM 1145 CB ILE A 80 2.017 3.648 -7.764 1.00 0.00 C ATOM 1146 CG1 ILE A 80 3.271 2.779 -7.661 1.00 0.00 C ATOM 1147 CG2 ILE A 80 0.766 2.782 -7.798 1.00 0.00 C ATOM 1148 CD1 ILE A 80 3.443 1.825 -8.822 1.00 0.00 C ATOM 0 H ILE A 80 3.812 5.352 -8.149 1.00 0.00 H new ATOM 0 HA ILE A 80 2.127 3.906 -9.905 1.00 0.00 H new ATOM 0 HB ILE A 80 1.968 4.288 -6.883 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.147 3.425 -7.600 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.231 2.207 -6.734 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.731 2.158 -6.905 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.117 3.420 -7.829 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.787 2.147 -8.684 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.353 1.241 -8.682 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.585 1.154 -8.872 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.515 2.391 -9.751 1.00 0.00 H new ATOM 1160 N THR A 81 0.377 5.698 -10.293 1.00 0.00 N ATOM 1161 CA THR A 81 -0.809 6.521 -10.488 1.00 0.00 C ATOM 1162 C THR A 81 -1.947 6.069 -9.580 1.00 0.00 C ATOM 1163 O THR A 81 -2.184 4.876 -9.388 1.00 0.00 O ATOM 1164 CB THR A 81 -1.288 6.478 -11.951 1.00 0.00 C ATOM 1165 OG1 THR A 81 -0.281 7.022 -12.812 1.00 0.00 O ATOM 1166 CG2 THR A 81 -2.582 7.259 -12.120 1.00 0.00 C ATOM 0 H THR A 81 0.810 5.372 -11.157 1.00 0.00 H new ATOM 0 HA THR A 81 -0.529 7.544 -10.235 1.00 0.00 H new ATOM 0 HB THR A 81 -1.472 5.438 -12.219 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.592 6.990 -13.741 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.901 7.214 -13.161 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.354 6.825 -11.485 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.420 8.298 -11.835 1.00 0.00 H new ATOM 1174 N PRO A 82 -2.669 7.042 -9.006 1.00 0.00 N ATOM 1175 CA PRO A 82 -3.795 6.769 -8.108 1.00 0.00 C ATOM 1176 C PRO A 82 -4.994 6.179 -8.846 1.00 0.00 C ATOM 1177 O PRO A 82 -5.790 6.908 -9.437 1.00 0.00 O ATOM 1178 CB PRO A 82 -4.142 8.148 -7.542 1.00 0.00 C ATOM 1179 CG PRO A 82 -3.662 9.111 -8.572 1.00 0.00 C ATOM 1180 CD PRO A 82 -2.442 8.486 -9.189 1.00 0.00 C ATOM 0 HA PRO A 82 -3.539 6.033 -7.346 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.214 8.249 -7.375 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.652 8.317 -6.583 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.430 9.292 -9.324 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.422 10.075 -8.123 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.346 8.747 -10.243 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.528 8.815 -8.694 1.00 0.00 H new ATOM 1188 N VAL A 83 -5.116 4.856 -8.804 1.00 0.00 N ATOM 1189 CA VAL A 83 -6.218 4.170 -9.467 1.00 0.00 C ATOM 1190 C VAL A 83 -7.515 4.325 -8.681 1.00 0.00 C ATOM 1191 O VAL A 83 -8.605 4.303 -9.252 1.00 0.00 O ATOM 1192 CB VAL A 83 -5.917 2.670 -9.648 1.00 0.00 C ATOM 1193 CG1 VAL A 83 -6.259 1.900 -8.381 1.00 0.00 C ATOM 1194 CG2 VAL A 83 -6.680 2.113 -10.841 1.00 0.00 C ATOM 0 H VAL A 83 -4.466 4.239 -8.318 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.334 4.631 -10.448 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.851 2.552 -9.840 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.040 0.842 -8.528 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.664 2.282 -7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.318 2.023 -8.155 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.455 1.052 -10.954 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -7.750 2.242 -10.681 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.382 2.645 -11.744 1.00 0.00 H new ATOM 1204 N VAL A 84 -7.389 4.485 -7.368 1.00 0.00 N ATOM 1205 CA VAL A 84 -8.551 4.648 -6.502 1.00 0.00 C ATOM 1206 C VAL A 84 -8.497 5.974 -5.753 1.00 0.00 C ATOM 1207 O VAL A 84 -7.419 6.508 -5.490 1.00 0.00 O ATOM 1208 CB VAL A 84 -8.655 3.498 -5.482 1.00 0.00 C ATOM 1209 CG1 VAL A 84 -9.708 3.811 -4.430 1.00 0.00 C ATOM 1210 CG2 VAL A 84 -8.968 2.187 -6.187 1.00 0.00 C ATOM 0 H VAL A 84 -6.494 4.505 -6.880 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.430 4.634 -7.146 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.693 3.393 -4.980 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.767 2.988 -3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.436 4.726 -3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.676 3.944 -4.913 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.038 1.386 -5.451 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.916 2.276 -6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.175 1.958 -6.898 1.00 0.00 H new ATOM 1220 N SER A 85 -9.668 6.502 -5.411 1.00 0.00 N ATOM 1221 CA SER A 85 -9.756 7.768 -4.695 1.00 0.00 C ATOM 1222 C SER A 85 -9.506 7.568 -3.204 1.00 0.00 C ATOM 1223 O SER A 85 -10.148 6.736 -2.562 1.00 0.00 O ATOM 1224 CB SER A 85 -11.129 8.409 -4.913 1.00 0.00 C ATOM 1225 OG SER A 85 -11.426 8.522 -6.293 1.00 0.00 O ATOM 0 H SER A 85 -10.569 6.072 -5.619 1.00 0.00 H new ATOM 0 HA SER A 85 -8.987 8.433 -5.088 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.895 7.810 -4.421 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.150 9.396 -4.451 1.00 0.00 H new ATOM 0 HG SER A 85 -12.309 8.933 -6.405 1.00 0.00 H new ATOM 1231 N ALA A 86 -8.568 8.337 -2.658 1.00 0.00 N ATOM 1232 CA ALA A 86 -8.234 8.245 -1.243 1.00 0.00 C ATOM 1233 C ALA A 86 -9.476 7.971 -0.402 1.00 0.00 C ATOM 1234 O ALA A 86 -9.452 7.139 0.504 1.00 0.00 O ATOM 1235 CB ALA A 86 -7.552 9.522 -0.778 1.00 0.00 C ATOM 0 H ALA A 86 -8.027 9.030 -3.175 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.546 7.410 -1.111 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.308 9.439 0.281 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.637 9.675 -1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.221 10.368 -0.931 1.00 0.00 H new ATOM 1241 N GLN A 87 -10.560 8.676 -0.708 1.00 0.00 N ATOM 1242 CA GLN A 87 -11.811 8.509 0.022 1.00 0.00 C ATOM 1243 C GLN A 87 -12.369 7.103 -0.169 1.00 0.00 C ATOM 1244 O GLN A 87 -12.714 6.424 0.798 1.00 0.00 O ATOM 1245 CB GLN A 87 -12.838 9.545 -0.440 1.00 0.00 C ATOM 1246 CG GLN A 87 -14.024 9.687 0.500 1.00 0.00 C ATOM 1247 CD GLN A 87 -15.102 8.654 0.240 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -15.123 8.013 -0.811 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -16.006 8.487 1.198 1.00 0.00 N ATOM 0 H GLN A 87 -10.597 9.368 -1.456 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.606 8.658 1.082 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.346 10.513 -0.540 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.201 9.268 -1.430 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.679 9.595 1.530 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.449 10.685 0.394 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -15.951 9.040 2.053 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -16.756 7.806 1.079 1.00 0.00 H new ATOM 1258 N ALA A 88 -12.456 6.671 -1.424 1.00 0.00 N ATOM 1259 CA ALA A 88 -12.970 5.345 -1.742 1.00 0.00 C ATOM 1260 C ALA A 88 -12.248 4.269 -0.938 1.00 0.00 C ATOM 1261 O ALA A 88 -12.868 3.323 -0.452 1.00 0.00 O ATOM 1262 CB ALA A 88 -12.838 5.071 -3.233 1.00 0.00 C ATOM 0 H ALA A 88 -12.177 7.221 -2.236 1.00 0.00 H new ATOM 0 HA ALA A 88 -14.025 5.317 -1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.226 4.077 -3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.405 5.816 -3.791 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.788 5.124 -3.521 1.00 0.00 H new ATOM 1268 N VAL A 89 -10.935 4.419 -0.803 1.00 0.00 N ATOM 1269 CA VAL A 89 -10.129 3.460 -0.057 1.00 0.00 C ATOM 1270 C VAL A 89 -10.557 3.400 1.405 1.00 0.00 C ATOM 1271 O VAL A 89 -10.852 2.328 1.933 1.00 0.00 O ATOM 1272 CB VAL A 89 -8.631 3.812 -0.127 1.00 0.00 C ATOM 1273 CG1 VAL A 89 -7.811 2.826 0.692 1.00 0.00 C ATOM 1274 CG2 VAL A 89 -8.158 3.839 -1.573 1.00 0.00 C ATOM 0 H VAL A 89 -10.406 5.195 -1.200 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.289 2.486 -0.519 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.489 4.806 0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.756 3.091 0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.134 2.861 1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.956 1.819 0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.098 4.089 -1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.313 2.859 -2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.724 4.588 -2.127 1.00 0.00 H new ATOM 1284 N VAL A 90 -10.591 4.560 2.053 1.00 0.00 N ATOM 1285 CA VAL A 90 -10.985 4.641 3.455 1.00 0.00 C ATOM 1286 C VAL A 90 -12.473 4.357 3.624 1.00 0.00 C ATOM 1287 O VAL A 90 -12.860 3.383 4.270 1.00 0.00 O ATOM 1288 CB VAL A 90 -10.667 6.027 4.049 1.00 0.00 C ATOM 1289 CG1 VAL A 90 -11.178 6.125 5.478 1.00 0.00 C ATOM 1290 CG2 VAL A 90 -9.173 6.302 3.986 1.00 0.00 C ATOM 0 H VAL A 90 -10.351 5.456 1.630 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.410 3.885 3.990 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.177 6.785 3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.944 7.110 5.881 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.258 5.975 5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.699 5.360 6.089 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.966 7.285 4.409 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.639 5.541 4.555 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.842 6.277 2.948 1.00 0.00 H new ATOM 1300 N ALA A 91 -13.305 5.213 3.039 1.00 0.00 N ATOM 1301 CA ALA A 91 -14.750 5.052 3.123 1.00 0.00 C ATOM 1302 C ALA A 91 -15.148 3.585 3.000 1.00 0.00 C ATOM 1303 O ALA A 91 -16.009 3.102 3.734 1.00 0.00 O ATOM 1304 CB ALA A 91 -15.437 5.879 2.045 1.00 0.00 C ATOM 0 H ALA A 91 -13.002 6.025 2.502 1.00 0.00 H new ATOM 0 HA ALA A 91 -15.074 5.408 4.101 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.517 5.749 2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -15.188 6.932 2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -15.099 5.549 1.063 1.00 0.00 H new ATOM 1310 N GLY A 92 -14.515 2.882 2.067 1.00 0.00 N ATOM 1311 CA GLY A 92 -14.817 1.477 1.865 1.00 0.00 C ATOM 1312 C GLY A 92 -15.973 1.264 0.907 1.00 0.00 C ATOM 1313 O GLY A 92 -16.847 0.435 1.154 1.00 0.00 O ATOM 0 H GLY A 92 -13.798 3.260 1.447 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.932 0.970 1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -15.055 1.018 2.825 1.00 0.00 H new ATOM 1317 N SER A 93 -15.979 2.018 -0.188 1.00 0.00 N ATOM 1318 CA SER A 93 -17.039 1.912 -1.183 1.00 0.00 C ATOM 1319 C SER A 93 -16.594 1.052 -2.362 1.00 0.00 C ATOM 1320 O SER A 93 -17.350 0.212 -2.852 1.00 0.00 O ATOM 1321 CB SER A 93 -17.445 3.303 -1.677 1.00 0.00 C ATOM 1322 OG SER A 93 -18.248 3.216 -2.840 1.00 0.00 O ATOM 0 H SER A 93 -15.262 2.709 -0.408 1.00 0.00 H new ATOM 0 HA SER A 93 -17.899 1.436 -0.712 1.00 0.00 H new ATOM 0 HB2 SER A 93 -17.991 3.826 -0.892 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.553 3.891 -1.890 1.00 0.00 H new ATOM 0 HG SER A 93 -17.680 3.284 -3.636 1.00 0.00 H new ATOM 1328 N ASP A 94 -15.363 1.267 -2.812 1.00 0.00 N ATOM 1329 CA ASP A 94 -14.815 0.510 -3.932 1.00 0.00 C ATOM 1330 C ASP A 94 -13.677 -0.394 -3.472 1.00 0.00 C ATOM 1331 O ASP A 94 -12.502 -0.026 -3.513 1.00 0.00 O ATOM 1332 CB ASP A 94 -14.319 1.461 -5.023 1.00 0.00 C ATOM 1333 CG ASP A 94 -15.339 2.529 -5.368 1.00 0.00 C ATOM 1334 OD1 ASP A 94 -15.500 3.476 -4.570 1.00 0.00 O ATOM 1335 OD2 ASP A 94 -15.975 2.417 -6.437 1.00 0.00 O ATOM 0 H ASP A 94 -14.725 1.959 -2.419 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.609 -0.116 -4.339 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.396 1.937 -4.693 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -14.080 0.888 -5.919 1.00 0.00 H new ATOM 1340 N PRO A 95 -14.029 -1.608 -3.022 1.00 0.00 N ATOM 1341 CA PRO A 95 -13.052 -2.590 -2.545 1.00 0.00 C ATOM 1342 C PRO A 95 -12.194 -3.151 -3.675 1.00 0.00 C ATOM 1343 O PRO A 95 -11.049 -3.549 -3.460 1.00 0.00 O ATOM 1344 CB PRO A 95 -13.923 -3.693 -1.938 1.00 0.00 C ATOM 1345 CG PRO A 95 -15.228 -3.577 -2.647 1.00 0.00 C ATOM 1346 CD PRO A 95 -15.410 -2.114 -2.945 1.00 0.00 C ATOM 0 HA PRO A 95 -12.345 -2.151 -1.841 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.477 -4.677 -2.087 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.043 -3.557 -0.863 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.227 -4.165 -3.565 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -16.043 -3.953 -2.028 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -15.948 -1.958 -3.880 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -15.979 -1.612 -2.162 1.00 0.00 H new ATOM 1354 N LEU A 96 -12.755 -3.177 -4.879 1.00 0.00 N ATOM 1355 CA LEU A 96 -12.041 -3.689 -6.044 1.00 0.00 C ATOM 1356 C LEU A 96 -10.888 -2.765 -6.425 1.00 0.00 C ATOM 1357 O LEU A 96 -9.749 -3.204 -6.570 1.00 0.00 O ATOM 1358 CB LEU A 96 -12.999 -3.843 -7.227 1.00 0.00 C ATOM 1359 CG LEU A 96 -13.853 -5.111 -7.237 1.00 0.00 C ATOM 1360 CD1 LEU A 96 -15.125 -4.904 -6.428 1.00 0.00 C ATOM 1361 CD2 LEU A 96 -14.187 -5.518 -8.665 1.00 0.00 C ATOM 0 H LEU A 96 -13.701 -2.850 -5.074 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.630 -4.666 -5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.665 -2.980 -7.244 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.416 -3.814 -8.147 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.280 -5.916 -6.776 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.720 -5.817 -6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -14.865 -4.661 -5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.702 -4.086 -6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -14.795 -6.422 -8.653 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.740 -4.715 -9.152 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.265 -5.708 -9.214 1.00 0.00 H new ATOM 1373 N GLY A 97 -11.194 -1.481 -6.584 1.00 0.00 N ATOM 1374 CA GLY A 97 -10.174 -0.514 -6.946 1.00 0.00 C ATOM 1375 C GLY A 97 -8.903 -0.685 -6.137 1.00 0.00 C ATOM 1376 O GLY A 97 -7.817 -0.842 -6.699 1.00 0.00 O ATOM 0 H GLY A 97 -12.130 -1.093 -6.469 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -9.943 -0.614 -8.007 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.563 0.493 -6.798 1.00 0.00 H new ATOM 1380 N LEU A 98 -9.035 -0.652 -4.816 1.00 0.00 N ATOM 1381 CA LEU A 98 -7.887 -0.802 -3.928 1.00 0.00 C ATOM 1382 C LEU A 98 -7.025 -1.989 -4.348 1.00 0.00 C ATOM 1383 O LEU A 98 -5.816 -1.854 -4.537 1.00 0.00 O ATOM 1384 CB LEU A 98 -8.355 -0.983 -2.484 1.00 0.00 C ATOM 1385 CG LEU A 98 -7.259 -1.249 -1.451 1.00 0.00 C ATOM 1386 CD1 LEU A 98 -6.209 -0.149 -1.492 1.00 0.00 C ATOM 1387 CD2 LEU A 98 -7.856 -1.367 -0.057 1.00 0.00 C ATOM 0 H LEU A 98 -9.925 -0.523 -4.336 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.284 0.104 -3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.899 -0.087 -2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.063 -1.811 -2.454 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.776 -2.194 -1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.437 -0.355 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.759 -0.113 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.678 0.810 -1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.061 -1.556 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.366 -0.439 0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.569 -2.191 -0.035 1.00 0.00 H new ATOM 1399 N ILE A 99 -7.656 -3.149 -4.495 1.00 0.00 N ATOM 1400 CA ILE A 99 -6.949 -4.358 -4.896 1.00 0.00 C ATOM 1401 C ILE A 99 -6.080 -4.105 -6.124 1.00 0.00 C ATOM 1402 O ILE A 99 -4.887 -4.403 -6.126 1.00 0.00 O ATOM 1403 CB ILE A 99 -7.926 -5.508 -5.201 1.00 0.00 C ATOM 1404 CG1 ILE A 99 -8.768 -5.832 -3.965 1.00 0.00 C ATOM 1405 CG2 ILE A 99 -7.165 -6.741 -5.668 1.00 0.00 C ATOM 1406 CD1 ILE A 99 -9.957 -6.720 -4.259 1.00 0.00 C ATOM 0 H ILE A 99 -8.656 -3.277 -4.342 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.315 -4.645 -4.057 1.00 0.00 H new ATOM 0 HB ILE A 99 -8.595 -5.193 -6.002 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -8.136 -6.319 -3.222 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.121 -4.901 -3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.870 -7.545 -5.880 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.605 -6.502 -6.572 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.475 -7.060 -4.887 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -10.508 -6.908 -3.337 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -10.611 -6.226 -4.978 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -9.610 -7.666 -4.674 1.00 0.00 H new ATOM 1418 N ALA A 100 -6.689 -3.551 -7.168 1.00 0.00 N ATOM 1419 CA ALA A 100 -5.971 -3.254 -8.401 1.00 0.00 C ATOM 1420 C ALA A 100 -4.838 -2.265 -8.152 1.00 0.00 C ATOM 1421 O ALA A 100 -3.771 -2.360 -8.760 1.00 0.00 O ATOM 1422 CB ALA A 100 -6.928 -2.709 -9.451 1.00 0.00 C ATOM 0 H ALA A 100 -7.677 -3.299 -7.184 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.534 -4.182 -8.770 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.378 -2.492 -10.367 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.700 -3.450 -9.659 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.392 -1.795 -9.081 1.00 0.00 H new ATOM 1428 N TYR A 101 -5.075 -1.314 -7.255 1.00 0.00 N ATOM 1429 CA TYR A 101 -4.075 -0.305 -6.927 1.00 0.00 C ATOM 1430 C TYR A 101 -2.782 -0.956 -6.446 1.00 0.00 C ATOM 1431 O TYR A 101 -1.709 -0.720 -7.004 1.00 0.00 O ATOM 1432 CB TYR A 101 -4.612 0.646 -5.856 1.00 0.00 C ATOM 1433 CG TYR A 101 -3.717 1.837 -5.601 1.00 0.00 C ATOM 1434 CD1 TYR A 101 -3.165 2.554 -6.656 1.00 0.00 C ATOM 1435 CD2 TYR A 101 -3.422 2.247 -4.307 1.00 0.00 C ATOM 1436 CE1 TYR A 101 -2.347 3.644 -6.429 1.00 0.00 C ATOM 1437 CE2 TYR A 101 -2.606 3.336 -4.070 1.00 0.00 C ATOM 1438 CZ TYR A 101 -2.070 4.031 -5.134 1.00 0.00 C ATOM 1439 OH TYR A 101 -1.256 5.115 -4.903 1.00 0.00 O ATOM 0 H TYR A 101 -5.952 -1.221 -6.742 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.858 0.264 -7.831 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -5.597 1.001 -6.158 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.743 0.095 -4.925 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.379 2.254 -7.671 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -3.838 1.704 -3.471 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.927 4.190 -7.261 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.389 3.642 -3.057 1.00 0.00 H new ATOM 0 HH TYR A 101 -1.403 5.789 -5.599 1.00 0.00 H new ATOM 1449 N LEU A 102 -2.892 -1.776 -5.407 1.00 0.00 N ATOM 1450 CA LEU A 102 -1.732 -2.462 -4.848 1.00 0.00 C ATOM 1451 C LEU A 102 -0.978 -3.227 -5.932 1.00 0.00 C ATOM 1452 O LEU A 102 0.242 -3.113 -6.051 1.00 0.00 O ATOM 1453 CB LEU A 102 -2.168 -3.422 -3.740 1.00 0.00 C ATOM 1454 CG LEU A 102 -3.031 -2.820 -2.631 1.00 0.00 C ATOM 1455 CD1 LEU A 102 -3.893 -3.893 -1.983 1.00 0.00 C ATOM 1456 CD2 LEU A 102 -2.160 -2.132 -1.591 1.00 0.00 C ATOM 0 H LEU A 102 -3.772 -1.982 -4.934 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.064 -1.711 -4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.719 -4.245 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.275 -3.850 -3.286 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.690 -2.073 -3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.500 -3.446 -1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.544 -4.339 -2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -3.253 -4.664 -1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.792 -1.709 -0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.476 -2.858 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -1.588 -1.335 -2.066 1.00 0.00 H new ATOM 1468 N SER A 103 -1.713 -4.003 -6.721 1.00 0.00 N ATOM 1469 CA SER A 103 -1.114 -4.788 -7.795 1.00 0.00 C ATOM 1470 C SER A 103 0.018 -4.016 -8.465 1.00 0.00 C ATOM 1471 O SER A 103 1.073 -4.575 -8.766 1.00 0.00 O ATOM 1472 CB SER A 103 -2.173 -5.166 -8.830 1.00 0.00 C ATOM 1473 OG SER A 103 -1.645 -6.056 -9.799 1.00 0.00 O ATOM 0 H SER A 103 -2.724 -4.106 -6.637 1.00 0.00 H new ATOM 0 HA SER A 103 -0.701 -5.698 -7.360 1.00 0.00 H new ATOM 0 HB2 SER A 103 -3.024 -5.630 -8.331 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.543 -4.266 -9.322 1.00 0.00 H new ATOM 0 HG SER A 103 -2.343 -6.284 -10.449 1.00 0.00 H new ATOM 1479 N HIS A 104 -0.210 -2.727 -8.698 1.00 0.00 N ATOM 1480 CA HIS A 104 0.789 -1.876 -9.333 1.00 0.00 C ATOM 1481 C HIS A 104 2.073 -1.839 -8.509 1.00 0.00 C ATOM 1482 O HIS A 104 3.174 -1.937 -9.052 1.00 0.00 O ATOM 1483 CB HIS A 104 0.244 -0.459 -9.513 1.00 0.00 C ATOM 1484 CG HIS A 104 -1.008 -0.400 -10.334 1.00 0.00 C ATOM 1485 ND1 HIS A 104 -1.405 0.729 -11.018 1.00 0.00 N ATOM 1486 CD2 HIS A 104 -1.952 -1.338 -10.579 1.00 0.00 C ATOM 1487 CE1 HIS A 104 -2.541 0.483 -11.647 1.00 0.00 C ATOM 1488 NE2 HIS A 104 -2.893 -0.765 -11.397 1.00 0.00 N ATOM 0 H HIS A 104 -1.078 -2.249 -8.456 1.00 0.00 H new ATOM 0 HA HIS A 104 1.018 -2.296 -10.313 1.00 0.00 H new ATOM 0 HB2 HIS A 104 0.046 -0.027 -8.532 1.00 0.00 H new ATOM 0 HB3 HIS A 104 1.008 0.158 -9.985 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -1.963 -2.350 -10.201 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -3.088 1.183 -12.261 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -3.729 -1.228 -11.754 1.00 0.00 H new ATOM 1497 N PHE A 105 1.925 -1.695 -7.197 1.00 0.00 N ATOM 1498 CA PHE A 105 3.072 -1.643 -6.298 1.00 0.00 C ATOM 1499 C PHE A 105 3.908 -2.915 -6.410 1.00 0.00 C ATOM 1500 O PHE A 105 5.119 -2.859 -6.628 1.00 0.00 O ATOM 1501 CB PHE A 105 2.607 -1.448 -4.854 1.00 0.00 C ATOM 1502 CG PHE A 105 2.196 -0.039 -4.541 1.00 0.00 C ATOM 1503 CD1 PHE A 105 0.930 0.417 -4.868 1.00 0.00 C ATOM 1504 CD2 PHE A 105 3.077 0.832 -3.919 1.00 0.00 C ATOM 1505 CE1 PHE A 105 0.549 1.715 -4.582 1.00 0.00 C ATOM 1506 CE2 PHE A 105 2.701 2.129 -3.630 1.00 0.00 C ATOM 1507 CZ PHE A 105 1.435 2.572 -3.962 1.00 0.00 C ATOM 0 H PHE A 105 1.021 -1.612 -6.732 1.00 0.00 H new ATOM 0 HA PHE A 105 3.693 -0.795 -6.589 1.00 0.00 H new ATOM 0 HB2 PHE A 105 1.767 -2.115 -4.658 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.411 -1.742 -4.179 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.232 -0.249 -5.352 1.00 0.00 H new ATOM 0 HD2 PHE A 105 4.068 0.493 -3.658 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.441 2.058 -4.844 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.397 2.797 -3.144 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.140 3.586 -3.737 1.00 0.00 H new ATOM 1517 N HIS A 106 3.253 -4.061 -6.257 1.00 0.00 N ATOM 1518 CA HIS A 106 3.934 -5.348 -6.340 1.00 0.00 C ATOM 1519 C HIS A 106 4.496 -5.577 -7.740 1.00 0.00 C ATOM 1520 O HIS A 106 5.704 -5.726 -7.918 1.00 0.00 O ATOM 1521 CB HIS A 106 2.977 -6.481 -5.970 1.00 0.00 C ATOM 1522 CG HIS A 106 3.613 -7.837 -6.002 1.00 0.00 C ATOM 1523 ND1 HIS A 106 2.967 -8.960 -6.476 1.00 0.00 N ATOM 1524 CD2 HIS A 106 4.843 -8.247 -5.616 1.00 0.00 C ATOM 1525 CE1 HIS A 106 3.773 -10.003 -6.379 1.00 0.00 C ATOM 1526 NE2 HIS A 106 4.917 -9.596 -5.860 1.00 0.00 N ATOM 0 H HIS A 106 2.251 -4.125 -6.075 1.00 0.00 H new ATOM 0 HA HIS A 106 4.763 -5.338 -5.632 1.00 0.00 H new ATOM 0 HB2 HIS A 106 2.580 -6.299 -4.971 1.00 0.00 H new ATOM 0 HB3 HIS A 106 2.131 -6.469 -6.657 1.00 0.00 H new ATOM 0 HD2 HIS A 106 5.622 -7.628 -5.194 1.00 0.00 H new ATOM 0 HE1 HIS A 106 3.536 -11.015 -6.674 1.00 0.00 H new ATOM 0 HE2 HIS A 106 5.725 -10.188 -5.671 1.00 0.00 H new ATOM 1535 N SER A 107 3.609 -5.605 -8.730 1.00 0.00 N ATOM 1536 CA SER A 107 4.015 -5.820 -10.113 1.00 0.00 C ATOM 1537 C SER A 107 5.326 -5.099 -10.414 1.00 0.00 C ATOM 1538 O SER A 107 6.147 -5.579 -11.194 1.00 0.00 O ATOM 1539 CB SER A 107 2.924 -5.336 -11.070 1.00 0.00 C ATOM 1540 OG SER A 107 1.845 -6.253 -11.119 1.00 0.00 O ATOM 0 H SER A 107 2.605 -5.481 -8.599 1.00 0.00 H new ATOM 0 HA SER A 107 4.167 -6.890 -10.257 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.561 -4.360 -10.749 1.00 0.00 H new ATOM 0 HB3 SER A 107 3.342 -5.208 -12.068 1.00 0.00 H new ATOM 0 HG SER A 107 1.215 -6.056 -10.395 1.00 0.00 H new ATOM 1546 N ALA A 108 5.514 -3.942 -9.787 1.00 0.00 N ATOM 1547 CA ALA A 108 6.725 -3.154 -9.984 1.00 0.00 C ATOM 1548 C ALA A 108 7.809 -3.555 -8.989 1.00 0.00 C ATOM 1549 O ALA A 108 8.985 -3.649 -9.340 1.00 0.00 O ATOM 1550 CB ALA A 108 6.415 -1.670 -9.860 1.00 0.00 C ATOM 0 H ALA A 108 4.843 -3.530 -9.138 1.00 0.00 H new ATOM 0 HA ALA A 108 7.099 -3.353 -10.988 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.328 -1.094 -10.009 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.680 -1.388 -10.614 1.00 0.00 H new ATOM 0 HB3 ALA A 108 6.014 -1.464 -8.868 1.00 0.00 H new ATOM 1556 N PHE A 109 7.405 -3.789 -7.744 1.00 0.00 N ATOM 1557 CA PHE A 109 8.342 -4.178 -6.697 1.00 0.00 C ATOM 1558 C PHE A 109 8.165 -5.648 -6.327 1.00 0.00 C ATOM 1559 O PHE A 109 8.074 -5.997 -5.150 1.00 0.00 O ATOM 1560 CB PHE A 109 8.149 -3.301 -5.458 1.00 0.00 C ATOM 1561 CG PHE A 109 8.659 -1.899 -5.631 1.00 0.00 C ATOM 1562 CD1 PHE A 109 7.898 -0.947 -6.289 1.00 0.00 C ATOM 1563 CD2 PHE A 109 9.900 -1.533 -5.133 1.00 0.00 C ATOM 1564 CE1 PHE A 109 8.364 0.345 -6.450 1.00 0.00 C ATOM 1565 CE2 PHE A 109 10.371 -0.244 -5.290 1.00 0.00 C ATOM 1566 CZ PHE A 109 9.603 0.696 -5.949 1.00 0.00 C ATOM 0 H PHE A 109 6.435 -3.716 -7.436 1.00 0.00 H new ATOM 0 HA PHE A 109 9.353 -4.037 -7.079 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.088 -3.265 -5.210 1.00 0.00 H new ATOM 0 HB3 PHE A 109 8.659 -3.763 -4.613 1.00 0.00 H new ATOM 0 HD1 PHE A 109 6.929 -1.217 -6.681 1.00 0.00 H new ATOM 0 HD2 PHE A 109 10.505 -2.264 -4.617 1.00 0.00 H new ATOM 0 HE1 PHE A 109 7.761 1.078 -6.966 1.00 0.00 H new ATOM 0 HE2 PHE A 109 11.340 0.029 -4.898 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.970 1.704 -6.073 1.00 0.00 H new ATOM 1576 N LYS A 110 8.116 -6.505 -7.340 1.00 0.00 N ATOM 1577 CA LYS A 110 7.951 -7.938 -7.125 1.00 0.00 C ATOM 1578 C LYS A 110 9.185 -8.533 -6.454 1.00 0.00 C ATOM 1579 O LYS A 110 10.280 -8.512 -7.017 1.00 0.00 O ATOM 1580 CB LYS A 110 7.687 -8.648 -8.454 1.00 0.00 C ATOM 1581 CG LYS A 110 6.213 -8.746 -8.809 1.00 0.00 C ATOM 1582 CD LYS A 110 5.927 -9.967 -9.668 1.00 0.00 C ATOM 1583 CE LYS A 110 4.605 -9.830 -10.407 1.00 0.00 C ATOM 1584 NZ LYS A 110 4.768 -9.124 -11.708 1.00 0.00 N ATOM 0 H LYS A 110 8.188 -6.232 -8.320 1.00 0.00 H new ATOM 0 HA LYS A 110 7.095 -8.085 -6.467 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.209 -8.117 -9.250 1.00 0.00 H new ATOM 0 HB3 LYS A 110 8.109 -9.652 -8.410 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.620 -8.795 -7.896 1.00 0.00 H new ATOM 0 HG3 LYS A 110 5.905 -7.846 -9.341 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.735 -10.105 -10.387 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.904 -10.858 -9.040 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.182 -10.819 -10.581 1.00 0.00 H new ATOM 0 HE3 LYS A 110 3.896 -9.285 -9.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 3.832 -8.945 -12.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 5.257 -8.219 -11.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.329 -9.714 -12.355 1.00 0.00 H new