USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 676 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 63 HIS : no HD1:sc= 0.909 K(o=0.66,f=-3.7!) USER MOD Set 1.2: A 65 TYR OH : rot 50:sc= -0.248 USER MOD Set 2.1: A 45 ASN : amide:sc= -0.404 K(o=-0.4,f=-3.3!) USER MOD Set 2.2: A 47 ASN : amide:sc= 0 X(o=-0.4,f=-0.4) USER MOD Set 3.1: A 14 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0388 USER MOD Single : A 12 THR OG1 : rot 150:sc= 0.431 USER MOD Single : A 18 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.11) USER MOD Single : A 19 ASN : amide:sc= -0.519 K(o=-0.52,f=-3.4) USER MOD Single : A 20 THR OG1 : rot 81:sc= -0.576 USER MOD Single : A 23 ASN : amide:sc=-0.00498 K(o=-0.005,f=-0.93) USER MOD Single : A 24 SER OG : rot 100:sc= -0.752 USER MOD Single : A 25 MET CE :methyl 162:sc= -0.106 (180deg=-0.468) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -140:sc= 0.742 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 2.39 (180deg=2.39) USER MOD Single : A 37 THR OG1 : rot 27:sc= 0.0164 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0525 X(o=-0.053,f=-0.18) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0178 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -41:sc= 1.28 USER MOD Single : A 58 SER OG : rot 180:sc=-0.00694 USER MOD Single : A 68 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0205) USER MOD Single : A 74 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.13) USER MOD Single : A 76 LYS NZ :NH3+ -141:sc= 1.2 (180deg=0.954) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -93:sc= 1.27 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 91 HIS : no HE2:sc= 0.878 K(o=0.88,f=-3!) USER MOD Single : A 92 HIS : no HE2:sc= 0.46 K(o=0.46,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 111 N ASP A 8 -15.540 2.957 -12.198 1.00 0.00 N ATOM 112 CA ASP A 8 -14.756 2.671 -11.001 1.00 0.00 C ATOM 113 C ASP A 8 -13.575 1.766 -11.348 1.00 0.00 C ATOM 114 O ASP A 8 -13.716 0.554 -11.487 1.00 0.00 O ATOM 115 CB ASP A 8 -15.623 2.049 -9.885 1.00 0.00 C ATOM 116 CG ASP A 8 -16.298 0.746 -10.278 1.00 0.00 C ATOM 117 OD1 ASP A 8 -17.256 0.784 -11.080 1.00 0.00 O ATOM 118 OD2 ASP A 8 -15.894 -0.320 -9.767 1.00 0.00 O ATOM 0 HA ASP A 8 -14.371 3.616 -10.617 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.998 1.872 -9.010 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.388 2.768 -9.591 1.00 0.00 H new ATOM 123 N PRO A 9 -12.392 2.358 -11.538 1.00 0.00 N ATOM 124 CA PRO A 9 -11.193 1.617 -11.909 1.00 0.00 C ATOM 125 C PRO A 9 -10.455 1.032 -10.704 1.00 0.00 C ATOM 126 O PRO A 9 -10.673 1.443 -9.559 1.00 0.00 O ATOM 127 CB PRO A 9 -10.344 2.686 -12.591 1.00 0.00 C ATOM 128 CG PRO A 9 -10.708 3.959 -11.901 1.00 0.00 C ATOM 129 CD PRO A 9 -12.131 3.804 -11.419 1.00 0.00 C ATOM 0 HA PRO A 9 -11.419 0.752 -12.532 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.280 2.471 -12.489 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.558 2.739 -13.659 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.036 4.151 -11.065 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.621 4.806 -12.581 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.244 4.147 -10.390 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.824 4.386 -12.027 1.00 0.00 H new ATOM 137 N THR A 10 -9.594 0.059 -10.969 1.00 0.00 N ATOM 138 CA THR A 10 -8.736 -0.504 -9.942 1.00 0.00 C ATOM 139 C THR A 10 -7.386 0.207 -9.950 1.00 0.00 C ATOM 140 O THR A 10 -6.561 0.000 -10.841 1.00 0.00 O ATOM 141 CB THR A 10 -8.529 -2.020 -10.147 1.00 0.00 C ATOM 142 OG1 THR A 10 -9.800 -2.684 -10.231 1.00 0.00 O ATOM 143 CG2 THR A 10 -7.719 -2.618 -9.006 1.00 0.00 C ATOM 0 H THR A 10 -9.473 -0.357 -11.892 1.00 0.00 H new ATOM 0 HA THR A 10 -9.224 -0.358 -8.978 1.00 0.00 H new ATOM 0 HB THR A 10 -7.980 -2.163 -11.077 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.659 -3.645 -10.363 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.587 -3.687 -9.174 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.743 -2.135 -8.960 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.246 -2.461 -8.065 1.00 0.00 H new ATOM 151 N LEU A 11 -7.176 1.055 -8.958 1.00 0.00 N ATOM 152 CA LEU A 11 -5.974 1.866 -8.877 1.00 0.00 C ATOM 153 C LEU A 11 -4.832 1.073 -8.251 1.00 0.00 C ATOM 154 O LEU A 11 -5.034 0.323 -7.301 1.00 0.00 O ATOM 155 CB LEU A 11 -6.259 3.125 -8.055 1.00 0.00 C ATOM 156 CG LEU A 11 -5.090 4.098 -7.913 1.00 0.00 C ATOM 157 CD1 LEU A 11 -4.627 4.577 -9.281 1.00 0.00 C ATOM 158 CD2 LEU A 11 -5.488 5.275 -7.036 1.00 0.00 C ATOM 0 H LEU A 11 -7.831 1.200 -8.189 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.675 2.155 -9.884 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.095 3.654 -8.512 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.579 2.822 -7.058 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.259 3.579 -7.435 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.794 5.269 -9.161 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.306 3.722 -9.876 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.449 5.083 -9.787 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.646 5.961 -6.943 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.332 5.796 -7.488 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.772 4.913 -6.048 1.00 0.00 H new ATOM 170 N THR A 12 -3.637 1.224 -8.794 1.00 0.00 N ATOM 171 CA THR A 12 -2.473 0.534 -8.268 1.00 0.00 C ATOM 172 C THR A 12 -1.447 1.535 -7.747 1.00 0.00 C ATOM 173 O THR A 12 -0.898 2.329 -8.510 1.00 0.00 O ATOM 174 CB THR A 12 -1.835 -0.364 -9.344 1.00 0.00 C ATOM 175 OG1 THR A 12 -2.842 -1.215 -9.910 1.00 0.00 O ATOM 176 CG2 THR A 12 -0.720 -1.218 -8.757 1.00 0.00 C ATOM 0 H THR A 12 -3.447 1.819 -9.600 1.00 0.00 H new ATOM 0 HA THR A 12 -2.801 -0.096 -7.441 1.00 0.00 H new ATOM 0 HB THR A 12 -1.406 0.275 -10.116 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.615 -1.416 -10.842 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.289 -1.841 -9.540 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.053 -0.572 -8.341 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.125 -1.853 -7.969 1.00 0.00 H new ATOM 184 N LEU A 13 -1.207 1.498 -6.443 1.00 0.00 N ATOM 185 CA LEU A 13 -0.292 2.434 -5.806 1.00 0.00 C ATOM 186 C LEU A 13 0.916 1.694 -5.257 1.00 0.00 C ATOM 187 O LEU A 13 0.790 0.583 -4.744 1.00 0.00 O ATOM 188 CB LEU A 13 -0.998 3.183 -4.674 1.00 0.00 C ATOM 189 CG LEU A 13 -2.241 3.974 -5.087 1.00 0.00 C ATOM 190 CD1 LEU A 13 -2.871 4.644 -3.878 1.00 0.00 C ATOM 191 CD2 LEU A 13 -1.888 5.006 -6.145 1.00 0.00 C ATOM 0 H LEU A 13 -1.635 0.827 -5.805 1.00 0.00 H new ATOM 0 HA LEU A 13 0.040 3.155 -6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.284 2.463 -3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.286 3.870 -4.216 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.966 3.280 -5.512 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.754 5.202 -4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.160 3.885 -3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.152 5.326 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.784 5.559 -6.427 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.145 5.697 -5.746 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.481 4.503 -7.022 1.00 0.00 H new ATOM 203 N SER A 14 2.084 2.301 -5.371 1.00 0.00 N ATOM 204 CA SER A 14 3.303 1.696 -4.863 1.00 0.00 C ATOM 205 C SER A 14 3.356 1.799 -3.341 1.00 0.00 C ATOM 206 O SER A 14 2.918 2.799 -2.760 1.00 0.00 O ATOM 207 CB SER A 14 4.520 2.371 -5.496 1.00 0.00 C ATOM 208 OG SER A 14 4.454 2.290 -6.912 1.00 0.00 O ATOM 0 H SER A 14 2.214 3.212 -5.811 1.00 0.00 H new ATOM 0 HA SER A 14 3.313 0.639 -5.129 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.565 3.415 -5.187 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.433 1.894 -5.141 1.00 0.00 H new ATOM 0 HG SER A 14 5.239 2.728 -7.302 1.00 0.00 H new ATOM 214 N LEU A 15 3.867 0.755 -2.702 1.00 0.00 N ATOM 215 CA LEU A 15 3.962 0.714 -1.252 1.00 0.00 C ATOM 216 C LEU A 15 5.287 1.314 -0.793 1.00 0.00 C ATOM 217 O LEU A 15 6.355 0.858 -1.199 1.00 0.00 O ATOM 218 CB LEU A 15 3.834 -0.730 -0.759 1.00 0.00 C ATOM 219 CG LEU A 15 3.764 -0.903 0.759 1.00 0.00 C ATOM 220 CD1 LEU A 15 2.493 -0.276 1.308 1.00 0.00 C ATOM 221 CD2 LEU A 15 3.838 -2.376 1.127 1.00 0.00 C ATOM 0 H LEU A 15 4.223 -0.078 -3.170 1.00 0.00 H new ATOM 0 HA LEU A 15 3.149 1.303 -0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.938 -1.168 -1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.684 -1.300 -1.133 1.00 0.00 H new ATOM 0 HG LEU A 15 4.617 -0.393 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.460 -0.408 2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.481 0.788 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.625 -0.757 0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.787 -2.483 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.003 -2.908 0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.777 -2.795 0.765 1.00 0.00 H new ATOM 233 N ILE A 16 5.213 2.342 0.036 1.00 0.00 N ATOM 234 CA ILE A 16 6.407 3.009 0.532 1.00 0.00 C ATOM 235 C ILE A 16 6.692 2.621 1.980 1.00 0.00 C ATOM 236 O ILE A 16 5.775 2.342 2.759 1.00 0.00 O ATOM 237 CB ILE A 16 6.291 4.549 0.434 1.00 0.00 C ATOM 238 CG1 ILE A 16 5.111 5.060 1.271 1.00 0.00 C ATOM 239 CG2 ILE A 16 6.146 4.977 -1.021 1.00 0.00 C ATOM 240 CD1 ILE A 16 5.028 6.570 1.359 1.00 0.00 C ATOM 0 H ILE A 16 4.337 2.734 0.381 1.00 0.00 H new ATOM 0 HA ILE A 16 7.231 2.681 -0.101 1.00 0.00 H new ATOM 0 HB ILE A 16 7.204 4.990 0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.183 4.679 0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.189 4.651 2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.065 6.063 -1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.019 4.650 -1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.249 4.525 -1.446 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.168 6.852 1.967 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.938 6.958 1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.917 6.987 0.358 1.00 0.00 H new ATOM 252 N ALA A 17 7.971 2.594 2.329 1.00 0.00 N ATOM 253 CA ALA A 17 8.389 2.320 3.693 1.00 0.00 C ATOM 254 C ALA A 17 8.257 3.578 4.536 1.00 0.00 C ATOM 255 O ALA A 17 8.956 4.568 4.304 1.00 0.00 O ATOM 256 CB ALA A 17 9.823 1.811 3.719 1.00 0.00 C ATOM 0 H ALA A 17 8.740 2.760 1.680 1.00 0.00 H new ATOM 0 HA ALA A 17 7.745 1.546 4.110 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.119 1.611 4.749 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.894 0.893 3.136 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.484 2.564 3.291 1.00 0.00 H new ATOM 262 N LYS A 18 7.348 3.552 5.493 1.00 0.00 N ATOM 263 CA LYS A 18 7.100 4.712 6.328 1.00 0.00 C ATOM 264 C LYS A 18 7.557 4.447 7.757 1.00 0.00 C ATOM 265 O LYS A 18 7.281 3.382 8.310 1.00 0.00 O ATOM 266 CB LYS A 18 5.612 5.065 6.324 1.00 0.00 C ATOM 267 CG LYS A 18 5.314 6.387 7.005 1.00 0.00 C ATOM 268 CD LYS A 18 3.899 6.432 7.548 1.00 0.00 C ATOM 269 CE LYS A 18 3.646 7.731 8.288 1.00 0.00 C ATOM 270 NZ LYS A 18 2.518 7.617 9.246 1.00 0.00 N ATOM 0 H LYS A 18 6.770 2.741 5.711 1.00 0.00 H new ATOM 0 HA LYS A 18 7.667 5.550 5.922 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.257 5.105 5.294 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.055 4.272 6.823 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.021 6.544 7.819 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.458 7.202 6.296 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.187 6.331 6.729 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.735 5.589 8.219 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.549 8.024 8.824 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.432 8.522 7.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.314 8.551 9.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.675 7.265 8.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.774 6.955 10.006 1.00 0.00 H new ATOM 284 N ASN A 19 8.285 5.409 8.328 1.00 0.00 N ATOM 285 CA ASN A 19 8.712 5.363 9.734 1.00 0.00 C ATOM 286 C ASN A 19 9.733 4.262 9.986 1.00 0.00 C ATOM 287 O ASN A 19 10.160 4.056 11.120 1.00 0.00 O ATOM 288 CB ASN A 19 7.512 5.182 10.674 1.00 0.00 C ATOM 289 CG ASN A 19 6.699 6.450 10.848 1.00 0.00 C ATOM 290 OD1 ASN A 19 6.632 7.296 9.956 1.00 0.00 O ATOM 291 ND2 ASN A 19 6.072 6.588 12.003 1.00 0.00 N ATOM 0 H ASN A 19 8.597 6.243 7.831 1.00 0.00 H new ATOM 0 HA ASN A 19 9.187 6.321 9.945 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.867 4.394 10.284 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.868 4.849 11.649 1.00 0.00 H new ATOM 0 HD21 ASN A 19 5.507 7.419 12.181 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.153 5.864 12.717 1.00 0.00 H new ATOM 298 N THR A 20 10.135 3.577 8.922 1.00 0.00 N ATOM 299 CA THR A 20 11.063 2.464 9.023 1.00 0.00 C ATOM 300 C THR A 20 12.414 2.925 9.573 1.00 0.00 C ATOM 301 O THR A 20 13.127 3.698 8.928 1.00 0.00 O ATOM 302 CB THR A 20 11.243 1.800 7.648 1.00 0.00 C ATOM 303 OG1 THR A 20 9.953 1.489 7.103 1.00 0.00 O ATOM 304 CG2 THR A 20 12.078 0.532 7.753 1.00 0.00 C ATOM 0 H THR A 20 9.827 3.778 7.971 1.00 0.00 H new ATOM 0 HA THR A 20 10.648 1.734 9.717 1.00 0.00 H new ATOM 0 HB THR A 20 11.768 2.495 6.993 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.566 2.293 6.698 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.187 0.086 6.765 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.062 0.777 8.152 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.583 -0.176 8.418 1.00 0.00 H new ATOM 312 N PRO A 21 12.768 2.458 10.786 1.00 0.00 N ATOM 313 CA PRO A 21 13.984 2.884 11.493 1.00 0.00 C ATOM 314 C PRO A 21 15.274 2.476 10.786 1.00 0.00 C ATOM 315 O PRO A 21 15.269 1.642 9.877 1.00 0.00 O ATOM 316 CB PRO A 21 13.884 2.173 12.850 1.00 0.00 C ATOM 317 CG PRO A 21 12.460 1.755 12.971 1.00 0.00 C ATOM 318 CD PRO A 21 11.998 1.483 11.574 1.00 0.00 C ATOM 0 HA PRO A 21 14.035 3.971 11.557 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.551 1.312 12.893 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.169 2.839 13.665 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.364 0.866 13.595 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.860 2.537 13.436 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.210 0.458 11.269 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.924 1.632 11.466 1.00 0.00 H new ATOM 326 N ALA A 22 16.381 3.062 11.230 1.00 0.00 N ATOM 327 CA ALA A 22 17.691 2.791 10.651 1.00 0.00 C ATOM 328 C ALA A 22 18.196 1.413 11.057 1.00 0.00 C ATOM 329 O ALA A 22 19.032 0.816 10.372 1.00 0.00 O ATOM 330 CB ALA A 22 18.683 3.859 11.080 1.00 0.00 C ATOM 0 H ALA A 22 16.395 3.734 11.997 1.00 0.00 H new ATOM 0 HA ALA A 22 17.593 2.810 9.566 1.00 0.00 H new ATOM 0 HB1 ALA A 22 19.658 3.647 10.642 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.337 4.835 10.740 1.00 0.00 H new ATOM 0 HB3 ALA A 22 18.767 3.863 12.167 1.00 0.00 H new ATOM 336 N ASN A 23 17.675 0.909 12.169 1.00 0.00 N ATOM 337 CA ASN A 23 18.069 -0.399 12.681 1.00 0.00 C ATOM 338 C ASN A 23 17.255 -1.504 12.026 1.00 0.00 C ATOM 339 O ASN A 23 17.395 -2.678 12.374 1.00 0.00 O ATOM 340 CB ASN A 23 17.890 -0.470 14.202 1.00 0.00 C ATOM 341 CG ASN A 23 18.863 0.415 14.956 1.00 0.00 C ATOM 342 OD1 ASN A 23 19.974 0.672 14.497 1.00 0.00 O ATOM 343 ND2 ASN A 23 18.458 0.868 16.129 1.00 0.00 N ATOM 0 H ASN A 23 16.976 1.388 12.736 1.00 0.00 H new ATOM 0 HA ASN A 23 19.123 -0.540 12.441 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.871 -0.179 14.456 1.00 0.00 H new ATOM 0 HB3 ASN A 23 18.018 -1.502 14.529 1.00 0.00 H new ATOM 0 HD21 ASN A 23 19.076 1.455 16.690 1.00 0.00 H new ATOM 0 HD22 ASN A 23 17.528 0.631 16.474 1.00 0.00 H new ATOM 350 N SER A 24 16.410 -1.124 11.081 1.00 0.00 N ATOM 351 CA SER A 24 15.556 -2.072 10.390 1.00 0.00 C ATOM 352 C SER A 24 15.893 -2.114 8.905 1.00 0.00 C ATOM 353 O SER A 24 15.891 -1.087 8.224 1.00 0.00 O ATOM 354 CB SER A 24 14.086 -1.694 10.584 1.00 0.00 C ATOM 355 OG SER A 24 13.748 -1.643 11.960 1.00 0.00 O ATOM 0 H SER A 24 16.298 -0.158 10.774 1.00 0.00 H new ATOM 0 HA SER A 24 15.727 -3.062 10.812 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.893 -0.725 10.123 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.451 -2.421 10.077 1.00 0.00 H new ATOM 0 HG SER A 24 13.751 -0.711 12.263 1.00 0.00 H new ATOM 361 N MET A 25 16.193 -3.300 8.413 1.00 0.00 N ATOM 362 CA MET A 25 16.472 -3.494 7.003 1.00 0.00 C ATOM 363 C MET A 25 15.429 -4.425 6.404 1.00 0.00 C ATOM 364 O MET A 25 15.351 -5.603 6.763 1.00 0.00 O ATOM 365 CB MET A 25 17.884 -4.055 6.806 1.00 0.00 C ATOM 366 CG MET A 25 18.271 -4.243 5.346 1.00 0.00 C ATOM 367 SD MET A 25 19.997 -4.732 5.135 1.00 0.00 S ATOM 368 CE MET A 25 20.038 -6.254 6.078 1.00 0.00 C ATOM 0 H MET A 25 16.250 -4.150 8.974 1.00 0.00 H new ATOM 0 HA MET A 25 16.422 -2.533 6.491 1.00 0.00 H new ATOM 0 HB2 MET A 25 18.601 -3.384 7.279 1.00 0.00 H new ATOM 0 HB3 MET A 25 17.959 -5.014 7.319 1.00 0.00 H new ATOM 0 HG2 MET A 25 17.627 -5.000 4.899 1.00 0.00 H new ATOM 0 HG3 MET A 25 18.093 -3.313 4.805 1.00 0.00 H new ATOM 0 HE1 MET A 25 20.915 -6.835 5.793 1.00 0.00 H new ATOM 0 HE2 MET A 25 20.087 -6.022 7.142 1.00 0.00 H new ATOM 0 HE3 MET A 25 19.137 -6.833 5.874 1.00 0.00 H new ATOM 378 N ILE A 26 14.609 -3.883 5.517 1.00 0.00 N ATOM 379 CA ILE A 26 13.530 -4.645 4.910 1.00 0.00 C ATOM 380 C ILE A 26 14.082 -5.588 3.851 1.00 0.00 C ATOM 381 O ILE A 26 14.642 -5.146 2.848 1.00 0.00 O ATOM 382 CB ILE A 26 12.477 -3.722 4.260 1.00 0.00 C ATOM 383 CG1 ILE A 26 12.122 -2.565 5.200 1.00 0.00 C ATOM 384 CG2 ILE A 26 11.228 -4.518 3.907 1.00 0.00 C ATOM 385 CD1 ILE A 26 11.128 -1.585 4.612 1.00 0.00 C ATOM 0 H ILE A 26 14.671 -2.915 5.201 1.00 0.00 H new ATOM 0 HA ILE A 26 13.050 -5.216 5.705 1.00 0.00 H new ATOM 0 HB ILE A 26 12.899 -3.305 3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 26 11.713 -2.972 6.125 1.00 0.00 H new ATOM 0 HG13 ILE A 26 13.034 -2.030 5.463 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.492 -3.857 3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.488 -5.312 3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.808 -4.956 4.812 1.00 0.00 H new ATOM 0 HD11 ILE A 26 10.926 -0.794 5.335 1.00 0.00 H new ATOM 0 HD12 ILE A 26 11.542 -1.149 3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 26 10.200 -2.106 4.375 1.00 0.00 H new ATOM 397 N MET A 27 13.939 -6.885 4.079 1.00 0.00 N ATOM 398 CA MET A 27 14.427 -7.872 3.128 1.00 0.00 C ATOM 399 C MET A 27 13.465 -7.985 1.953 1.00 0.00 C ATOM 400 O MET A 27 13.879 -8.182 0.808 1.00 0.00 O ATOM 401 CB MET A 27 14.588 -9.237 3.799 1.00 0.00 C ATOM 402 CG MET A 27 15.303 -10.251 2.923 1.00 0.00 C ATOM 403 SD MET A 27 15.292 -11.914 3.616 1.00 0.00 S ATOM 404 CE MET A 27 16.224 -12.796 2.367 1.00 0.00 C ATOM 0 H MET A 27 13.492 -7.276 4.908 1.00 0.00 H new ATOM 0 HA MET A 27 15.402 -7.546 2.765 1.00 0.00 H new ATOM 0 HB2 MET A 27 15.142 -9.115 4.729 1.00 0.00 H new ATOM 0 HB3 MET A 27 13.604 -9.624 4.063 1.00 0.00 H new ATOM 0 HG2 MET A 27 14.832 -10.270 1.940 1.00 0.00 H new ATOM 0 HG3 MET A 27 16.335 -9.932 2.776 1.00 0.00 H new ATOM 0 HE1 MET A 27 16.307 -13.846 2.649 1.00 0.00 H new ATOM 0 HE2 MET A 27 15.712 -12.717 1.408 1.00 0.00 H new ATOM 0 HE3 MET A 27 17.221 -12.363 2.283 1.00 0.00 H new ATOM 414 N THR A 28 12.183 -7.849 2.251 1.00 0.00 N ATOM 415 CA THR A 28 11.144 -7.953 1.245 1.00 0.00 C ATOM 416 C THR A 28 11.043 -6.662 0.435 1.00 0.00 C ATOM 417 O THR A 28 10.827 -5.589 0.995 1.00 0.00 O ATOM 418 CB THR A 28 9.784 -8.238 1.908 1.00 0.00 C ATOM 419 OG1 THR A 28 9.953 -9.196 2.965 1.00 0.00 O ATOM 420 CG2 THR A 28 8.785 -8.772 0.891 1.00 0.00 C ATOM 0 H THR A 28 11.837 -7.664 3.193 1.00 0.00 H new ATOM 0 HA THR A 28 11.405 -8.775 0.578 1.00 0.00 H new ATOM 0 HB THR A 28 9.397 -7.304 2.315 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.202 -9.825 2.959 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.832 -8.966 1.384 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.642 -8.035 0.100 1.00 0.00 H new ATOM 0 HG23 THR A 28 9.165 -9.698 0.459 1.00 0.00 H new ATOM 428 N LYS A 29 11.216 -6.762 -0.877 1.00 0.00 N ATOM 429 CA LYS A 29 11.056 -5.602 -1.741 1.00 0.00 C ATOM 430 C LYS A 29 9.586 -5.205 -1.791 1.00 0.00 C ATOM 431 O LYS A 29 8.717 -6.042 -2.047 1.00 0.00 O ATOM 432 CB LYS A 29 11.580 -5.891 -3.152 1.00 0.00 C ATOM 433 CG LYS A 29 11.534 -4.681 -4.075 1.00 0.00 C ATOM 434 CD LYS A 29 12.108 -4.999 -5.445 1.00 0.00 C ATOM 435 CE LYS A 29 12.063 -3.789 -6.366 1.00 0.00 C ATOM 436 NZ LYS A 29 12.644 -4.089 -7.700 1.00 0.00 N ATOM 0 H LYS A 29 11.464 -7.625 -1.361 1.00 0.00 H new ATOM 0 HA LYS A 29 11.640 -4.777 -1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 29 12.608 -6.247 -3.084 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.992 -6.696 -3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.503 -4.343 -4.182 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.094 -3.860 -3.627 1.00 0.00 H new ATOM 0 HD2 LYS A 29 13.139 -5.338 -5.339 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.548 -5.819 -5.893 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.030 -3.461 -6.485 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.609 -2.964 -5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.595 -3.240 -8.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.637 -4.378 -7.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.107 -4.859 -8.147 1.00 0.00 H new ATOM 450 N LEU A 30 9.317 -3.935 -1.532 1.00 0.00 N ATOM 451 CA LEU A 30 7.952 -3.433 -1.462 1.00 0.00 C ATOM 452 C LEU A 30 7.282 -3.462 -2.834 1.00 0.00 C ATOM 453 O LEU A 30 7.825 -2.946 -3.812 1.00 0.00 O ATOM 454 CB LEU A 30 7.950 -2.012 -0.901 1.00 0.00 C ATOM 455 CG LEU A 30 8.575 -1.869 0.490 1.00 0.00 C ATOM 456 CD1 LEU A 30 8.617 -0.410 0.906 1.00 0.00 C ATOM 457 CD2 LEU A 30 7.803 -2.691 1.511 1.00 0.00 C ATOM 0 H LEU A 30 10.032 -3.227 -1.365 1.00 0.00 H new ATOM 0 HA LEU A 30 7.382 -4.082 -0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.486 -1.363 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.921 -1.654 -0.860 1.00 0.00 H new ATOM 0 HG LEU A 30 9.597 -2.246 0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.064 -0.327 1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.214 0.155 0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.604 -0.009 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.262 -2.576 2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.770 -2.345 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.822 -3.742 1.222 1.00 0.00 H new ATOM 469 N PRO A 31 6.105 -4.096 -2.924 1.00 0.00 N ATOM 470 CA PRO A 31 5.338 -4.180 -4.161 1.00 0.00 C ATOM 471 C PRO A 31 4.344 -3.029 -4.309 1.00 0.00 C ATOM 472 O PRO A 31 4.475 -1.989 -3.663 1.00 0.00 O ATOM 473 CB PRO A 31 4.604 -5.507 -3.987 1.00 0.00 C ATOM 474 CG PRO A 31 4.357 -5.619 -2.516 1.00 0.00 C ATOM 475 CD PRO A 31 5.428 -4.803 -1.824 1.00 0.00 C ATOM 0 HA PRO A 31 5.962 -4.120 -5.053 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.669 -5.518 -4.547 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.203 -6.341 -4.352 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.364 -5.247 -2.262 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.398 -6.660 -2.196 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.997 -4.105 -1.107 1.00 0.00 H new ATOM 0 HD3 PRO A 31 6.120 -5.439 -1.273 1.00 0.00 H new ATOM 483 N SER A 32 3.358 -3.212 -5.173 1.00 0.00 N ATOM 484 CA SER A 32 2.310 -2.225 -5.352 1.00 0.00 C ATOM 485 C SER A 32 0.952 -2.816 -4.977 1.00 0.00 C ATOM 486 O SER A 32 0.679 -3.989 -5.240 1.00 0.00 O ATOM 487 CB SER A 32 2.302 -1.727 -6.797 1.00 0.00 C ATOM 488 OG SER A 32 3.569 -1.193 -7.148 1.00 0.00 O ATOM 0 H SER A 32 3.263 -4.039 -5.762 1.00 0.00 H new ATOM 0 HA SER A 32 2.506 -1.379 -4.694 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.048 -2.547 -7.469 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.533 -0.964 -6.920 1.00 0.00 H new ATOM 0 HG SER A 32 3.546 -0.881 -8.077 1.00 0.00 H new ATOM 494 N VAL A 33 0.118 -2.000 -4.352 1.00 0.00 N ATOM 495 CA VAL A 33 -1.198 -2.433 -3.907 1.00 0.00 C ATOM 496 C VAL A 33 -2.256 -2.018 -4.927 1.00 0.00 C ATOM 497 O VAL A 33 -2.133 -0.971 -5.565 1.00 0.00 O ATOM 498 CB VAL A 33 -1.540 -1.834 -2.520 1.00 0.00 C ATOM 499 CG1 VAL A 33 -1.708 -0.323 -2.598 1.00 0.00 C ATOM 500 CG2 VAL A 33 -2.782 -2.482 -1.933 1.00 0.00 C ATOM 0 H VAL A 33 0.332 -1.025 -4.140 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.188 -3.519 -3.818 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.702 -2.046 -1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.947 0.068 -1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.781 0.128 -2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.516 -0.082 -3.289 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.997 -2.041 -0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.628 -2.318 -2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.614 -3.553 -1.817 1.00 0.00 H new ATOM 510 N ARG A 34 -3.275 -2.842 -5.099 1.00 0.00 N ATOM 511 CA ARG A 34 -4.337 -2.534 -6.041 1.00 0.00 C ATOM 512 C ARG A 34 -5.647 -2.327 -5.294 1.00 0.00 C ATOM 513 O ARG A 34 -6.138 -3.228 -4.615 1.00 0.00 O ATOM 514 CB ARG A 34 -4.477 -3.648 -7.082 1.00 0.00 C ATOM 515 CG ARG A 34 -3.145 -4.100 -7.662 1.00 0.00 C ATOM 516 CD ARG A 34 -3.329 -4.956 -8.902 1.00 0.00 C ATOM 517 NE ARG A 34 -3.516 -4.148 -10.110 1.00 0.00 N ATOM 518 CZ ARG A 34 -4.183 -4.560 -11.188 1.00 0.00 C ATOM 519 NH1 ARG A 34 -4.832 -5.719 -11.170 1.00 0.00 N ATOM 520 NH2 ARG A 34 -4.211 -3.805 -12.281 1.00 0.00 N ATOM 0 H ARG A 34 -3.390 -3.725 -4.602 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.084 -1.614 -6.567 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.975 -4.503 -6.625 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.119 -3.301 -7.892 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.542 -3.227 -7.910 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.594 -4.664 -6.910 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.459 -5.600 -9.029 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.192 -5.608 -8.766 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.111 -3.212 -10.127 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.821 -6.297 -10.329 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.341 -6.031 -11.997 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.722 -2.910 -12.295 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.721 -4.120 -13.106 1.00 0.00 H new ATOM 534 N VAL A 35 -6.194 -1.132 -5.408 1.00 0.00 N ATOM 535 CA VAL A 35 -7.408 -0.776 -4.699 1.00 0.00 C ATOM 536 C VAL A 35 -8.535 -0.455 -5.671 1.00 0.00 C ATOM 537 O VAL A 35 -8.340 0.253 -6.659 1.00 0.00 O ATOM 538 CB VAL A 35 -7.188 0.430 -3.754 1.00 0.00 C ATOM 539 CG1 VAL A 35 -6.287 0.043 -2.596 1.00 0.00 C ATOM 540 CG2 VAL A 35 -6.604 1.619 -4.507 1.00 0.00 C ATOM 0 H VAL A 35 -5.813 -0.386 -5.990 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.686 -1.642 -4.098 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.159 0.725 -3.357 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.144 0.904 -1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.748 -0.768 -2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.321 -0.285 -2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.460 2.451 -3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.645 1.339 -4.942 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.289 1.919 -5.300 1.00 0.00 H new ATOM 550 N LYS A 36 -9.709 -0.994 -5.399 1.00 0.00 N ATOM 551 CA LYS A 36 -10.889 -0.659 -6.174 1.00 0.00 C ATOM 552 C LYS A 36 -11.418 0.682 -5.701 1.00 0.00 C ATOM 553 O LYS A 36 -11.706 0.855 -4.515 1.00 0.00 O ATOM 554 CB LYS A 36 -11.959 -1.741 -6.017 1.00 0.00 C ATOM 555 CG LYS A 36 -12.174 -2.582 -7.266 1.00 0.00 C ATOM 556 CD LYS A 36 -12.820 -1.774 -8.382 1.00 0.00 C ATOM 557 CE LYS A 36 -13.179 -2.656 -9.565 1.00 0.00 C ATOM 558 NZ LYS A 36 -13.958 -1.922 -10.596 1.00 0.00 N ATOM 0 H LYS A 36 -9.871 -1.665 -4.648 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.627 -0.599 -7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.680 -2.397 -5.193 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.902 -1.268 -5.743 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.217 -2.976 -7.609 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.804 -3.438 -7.025 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.718 -1.283 -8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.139 -0.987 -8.706 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.266 -3.049 -10.013 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.757 -3.512 -9.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.181 -2.563 -11.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.842 -1.568 -10.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.397 -1.120 -10.949 1.00 0.00 H new ATOM 572 N THR A 37 -11.517 1.635 -6.611 1.00 0.00 N ATOM 573 CA THR A 37 -11.937 2.974 -6.249 1.00 0.00 C ATOM 574 C THR A 37 -13.193 3.388 -7.003 1.00 0.00 C ATOM 575 O THR A 37 -13.264 3.262 -8.223 1.00 0.00 O ATOM 576 CB THR A 37 -10.814 3.997 -6.512 1.00 0.00 C ATOM 577 OG1 THR A 37 -10.293 3.830 -7.841 1.00 0.00 O ATOM 578 CG2 THR A 37 -9.689 3.843 -5.500 1.00 0.00 C ATOM 0 H THR A 37 -11.313 1.506 -7.602 1.00 0.00 H new ATOM 0 HA THR A 37 -12.162 2.961 -5.183 1.00 0.00 H new ATOM 0 HB THR A 37 -11.238 4.996 -6.411 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.988 3.453 -8.420 1.00 0.00 H new ATOM 0 HG21 THR A 37 -8.910 4.576 -5.708 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.079 4.003 -4.495 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.271 2.839 -5.571 1.00 0.00 H new ATOM 586 N GLU A 38 -14.172 3.876 -6.261 1.00 0.00 N ATOM 587 CA GLU A 38 -15.433 4.315 -6.829 1.00 0.00 C ATOM 588 C GLU A 38 -15.395 5.823 -7.055 1.00 0.00 C ATOM 589 O GLU A 38 -15.443 6.604 -6.100 1.00 0.00 O ATOM 590 CB GLU A 38 -16.581 3.954 -5.881 1.00 0.00 C ATOM 591 CG GLU A 38 -17.962 4.093 -6.494 1.00 0.00 C ATOM 592 CD GLU A 38 -19.066 3.976 -5.462 1.00 0.00 C ATOM 593 OE1 GLU A 38 -19.181 2.912 -4.818 1.00 0.00 O ATOM 594 OE2 GLU A 38 -19.832 4.945 -5.296 1.00 0.00 O ATOM 0 H GLU A 38 -14.114 3.979 -5.248 1.00 0.00 H new ATOM 0 HA GLU A 38 -15.593 3.816 -7.785 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.448 2.926 -5.542 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.522 4.591 -4.998 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -18.038 5.057 -6.996 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -18.097 3.325 -7.256 1.00 0.00 H new ATOM 601 N GLY A 39 -15.274 6.229 -8.307 1.00 0.00 N ATOM 602 CA GLY A 39 -15.231 7.639 -8.626 1.00 0.00 C ATOM 603 C GLY A 39 -14.141 7.962 -9.625 1.00 0.00 C ATOM 604 O GLY A 39 -13.433 7.068 -10.091 1.00 0.00 O ATOM 0 H GLY A 39 -15.205 5.605 -9.111 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -16.195 7.949 -9.029 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -15.068 8.212 -7.713 1.00 0.00 H new ATOM 608 N TYR A 40 -14.004 9.238 -9.954 1.00 0.00 N ATOM 609 CA TYR A 40 -13.017 9.674 -10.927 1.00 0.00 C ATOM 610 C TYR A 40 -11.940 10.519 -10.270 1.00 0.00 C ATOM 611 O TYR A 40 -12.127 11.048 -9.175 1.00 0.00 O ATOM 612 CB TYR A 40 -13.689 10.472 -12.046 1.00 0.00 C ATOM 613 CG TYR A 40 -14.622 9.643 -12.894 1.00 0.00 C ATOM 614 CD1 TYR A 40 -15.953 9.465 -12.536 1.00 0.00 C ATOM 615 CD2 TYR A 40 -14.165 9.028 -14.048 1.00 0.00 C ATOM 616 CE1 TYR A 40 -16.799 8.695 -13.307 1.00 0.00 C ATOM 617 CE2 TYR A 40 -15.003 8.257 -14.820 1.00 0.00 C ATOM 618 CZ TYR A 40 -16.318 8.094 -14.448 1.00 0.00 C ATOM 619 OH TYR A 40 -17.146 7.314 -15.215 1.00 0.00 O ATOM 0 H TYR A 40 -14.567 9.991 -9.559 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.549 8.785 -11.351 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.247 11.300 -11.608 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -12.920 10.908 -12.684 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -16.331 9.937 -11.641 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -13.135 9.156 -14.346 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -17.831 8.565 -13.017 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -14.630 7.781 -15.715 1.00 0.00 H new ATOM 0 HH TYR A 40 -16.648 6.967 -15.984 1.00 0.00 H new ATOM 629 N ASN A 41 -10.810 10.643 -10.947 1.00 0.00 N ATOM 630 CA ASN A 41 -9.720 11.481 -10.470 1.00 0.00 C ATOM 631 C ASN A 41 -9.258 12.442 -11.566 1.00 0.00 C ATOM 632 O ASN A 41 -8.218 12.247 -12.188 1.00 0.00 O ATOM 633 CB ASN A 41 -8.549 10.626 -9.952 1.00 0.00 C ATOM 634 CG ASN A 41 -8.140 9.512 -10.904 1.00 0.00 C ATOM 635 OD1 ASN A 41 -7.282 9.690 -11.765 1.00 0.00 O ATOM 636 ND2 ASN A 41 -8.746 8.344 -10.746 1.00 0.00 N ATOM 0 H ASN A 41 -10.623 10.172 -11.832 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.090 12.074 -9.634 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.690 11.272 -9.772 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.826 10.189 -8.992 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.504 7.558 -11.350 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.454 8.231 -10.021 1.00 0.00 H new ATOM 643 N PRO A 42 -10.052 13.491 -11.839 1.00 0.00 N ATOM 644 CA PRO A 42 -9.722 14.484 -12.862 1.00 0.00 C ATOM 645 C PRO A 42 -8.619 15.425 -12.400 1.00 0.00 C ATOM 646 O PRO A 42 -7.671 15.706 -13.134 1.00 0.00 O ATOM 647 CB PRO A 42 -11.035 15.259 -13.063 1.00 0.00 C ATOM 648 CG PRO A 42 -12.071 14.522 -12.276 1.00 0.00 C ATOM 649 CD PRO A 42 -11.333 13.795 -11.193 1.00 0.00 C ATOM 0 HA PRO A 42 -9.351 14.019 -13.775 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.939 16.287 -12.715 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -11.305 15.304 -14.118 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.803 15.211 -11.854 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.619 13.825 -12.910 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -11.204 14.412 -10.304 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.856 12.891 -10.881 1.00 0.00 H new ATOM 657 N SER A 43 -8.751 15.900 -11.172 1.00 0.00 N ATOM 658 CA SER A 43 -7.795 16.824 -10.590 1.00 0.00 C ATOM 659 C SER A 43 -6.870 16.110 -9.609 1.00 0.00 C ATOM 660 O SER A 43 -6.029 16.733 -8.963 1.00 0.00 O ATOM 661 CB SER A 43 -8.564 17.933 -9.880 1.00 0.00 C ATOM 662 OG SER A 43 -9.675 17.391 -9.181 1.00 0.00 O ATOM 0 H SER A 43 -9.523 15.655 -10.552 1.00 0.00 H new ATOM 0 HA SER A 43 -7.173 17.245 -11.380 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.906 18.453 -9.184 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.907 18.670 -10.606 1.00 0.00 H new ATOM 0 HG SER A 43 -10.160 18.112 -8.728 1.00 0.00 H new ATOM 668 N ILE A 44 -7.026 14.799 -9.512 1.00 0.00 N ATOM 669 CA ILE A 44 -6.275 14.013 -8.545 1.00 0.00 C ATOM 670 C ILE A 44 -5.193 13.197 -9.241 1.00 0.00 C ATOM 671 O ILE A 44 -5.485 12.390 -10.124 1.00 0.00 O ATOM 672 CB ILE A 44 -7.206 13.067 -7.757 1.00 0.00 C ATOM 673 CG1 ILE A 44 -8.361 13.857 -7.135 1.00 0.00 C ATOM 674 CG2 ILE A 44 -6.425 12.324 -6.680 1.00 0.00 C ATOM 675 CD1 ILE A 44 -9.401 12.988 -6.465 1.00 0.00 C ATOM 0 H ILE A 44 -7.666 14.256 -10.091 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.808 14.708 -7.847 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.620 12.332 -8.447 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.958 14.556 -6.402 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.843 14.451 -7.912 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.097 11.662 -6.135 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.634 11.735 -7.145 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.984 13.043 -5.989 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.187 13.617 -6.048 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.832 12.306 -7.198 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.934 12.413 -5.665 1.00 0.00 H new ATOM 687 N ASN A 45 -3.948 13.415 -8.846 1.00 0.00 N ATOM 688 CA ASN A 45 -2.828 12.696 -9.432 1.00 0.00 C ATOM 689 C ASN A 45 -2.522 11.432 -8.633 1.00 0.00 C ATOM 690 O ASN A 45 -1.965 11.483 -7.528 1.00 0.00 O ATOM 691 CB ASN A 45 -1.594 13.595 -9.512 1.00 0.00 C ATOM 692 CG ASN A 45 -0.405 12.910 -10.159 1.00 0.00 C ATOM 693 OD1 ASN A 45 -0.557 11.998 -10.974 1.00 0.00 O ATOM 694 ND2 ASN A 45 0.788 13.354 -9.809 1.00 0.00 N ATOM 0 H ASN A 45 -3.688 14.084 -8.122 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.103 12.401 -10.445 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.841 14.493 -10.078 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.319 13.916 -8.507 1.00 0.00 H new ATOM 0 HD21 ASN A 45 1.626 12.940 -10.217 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.872 14.111 -9.131 1.00 0.00 H new ATOM 701 N VAL A 46 -2.886 10.296 -9.208 1.00 0.00 N ATOM 702 CA VAL A 46 -2.728 9.008 -8.546 1.00 0.00 C ATOM 703 C VAL A 46 -1.258 8.613 -8.424 1.00 0.00 C ATOM 704 O VAL A 46 -0.919 7.674 -7.716 1.00 0.00 O ATOM 705 CB VAL A 46 -3.496 7.901 -9.292 1.00 0.00 C ATOM 706 CG1 VAL A 46 -4.982 8.229 -9.341 1.00 0.00 C ATOM 707 CG2 VAL A 46 -2.944 7.706 -10.696 1.00 0.00 C ATOM 0 H VAL A 46 -3.297 10.239 -10.140 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.143 9.117 -7.544 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.363 6.967 -8.746 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.512 7.438 -9.871 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.371 8.309 -8.326 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.129 9.176 -9.861 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.504 6.919 -11.201 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.039 8.636 -11.257 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.893 7.423 -10.638 1.00 0.00 H new ATOM 717 N ASN A 47 -0.390 9.347 -9.109 1.00 0.00 N ATOM 718 CA ASN A 47 1.045 9.095 -9.032 1.00 0.00 C ATOM 719 C ASN A 47 1.640 9.769 -7.801 1.00 0.00 C ATOM 720 O ASN A 47 2.791 9.526 -7.440 1.00 0.00 O ATOM 721 CB ASN A 47 1.756 9.575 -10.300 1.00 0.00 C ATOM 722 CG ASN A 47 1.487 8.675 -11.492 1.00 0.00 C ATOM 723 OD1 ASN A 47 2.200 7.696 -11.715 1.00 0.00 O ATOM 724 ND2 ASN A 47 0.470 9.006 -12.276 1.00 0.00 N ATOM 0 H ASN A 47 -0.652 10.119 -9.722 1.00 0.00 H new ATOM 0 HA ASN A 47 1.194 8.019 -8.947 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.431 10.589 -10.533 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.830 9.619 -10.117 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.255 8.442 -13.098 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.097 9.825 -12.057 1.00 0.00 H new ATOM 731 N GLU A 48 0.851 10.624 -7.164 1.00 0.00 N ATOM 732 CA GLU A 48 1.258 11.250 -5.915 1.00 0.00 C ATOM 733 C GLU A 48 0.500 10.636 -4.748 1.00 0.00 C ATOM 734 O GLU A 48 0.873 10.812 -3.589 1.00 0.00 O ATOM 735 CB GLU A 48 1.043 12.759 -5.967 1.00 0.00 C ATOM 736 CG GLU A 48 2.035 13.466 -6.868 1.00 0.00 C ATOM 737 CD GLU A 48 1.786 14.952 -6.960 1.00 0.00 C ATOM 738 OE1 GLU A 48 2.198 15.686 -6.040 1.00 0.00 O ATOM 739 OE2 GLU A 48 1.187 15.392 -7.964 1.00 0.00 O ATOM 0 H GLU A 48 -0.075 10.899 -7.492 1.00 0.00 H new ATOM 0 HA GLU A 48 2.323 11.070 -5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.031 12.965 -6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.121 13.167 -4.959 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.045 13.294 -6.495 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.986 13.031 -7.866 1.00 0.00 H new ATOM 746 N LEU A 49 -0.583 9.939 -5.060 1.00 0.00 N ATOM 747 CA LEU A 49 -1.256 9.110 -4.071 1.00 0.00 C ATOM 748 C LEU A 49 -0.381 7.903 -3.750 1.00 0.00 C ATOM 749 O LEU A 49 0.076 7.207 -4.654 1.00 0.00 O ATOM 750 CB LEU A 49 -2.618 8.645 -4.588 1.00 0.00 C ATOM 751 CG LEU A 49 -3.601 9.764 -4.937 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.894 9.175 -5.473 1.00 0.00 C ATOM 753 CD2 LEU A 49 -3.877 10.637 -3.720 1.00 0.00 C ATOM 0 H LEU A 49 -1.013 9.931 -5.985 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.419 9.698 -3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.461 8.031 -5.475 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.075 8.004 -3.834 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.154 10.390 -5.710 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.586 9.980 -5.718 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.684 8.592 -6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.341 8.530 -4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.578 11.426 -3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.306 10.027 -2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.945 11.083 -3.373 1.00 0.00 H new ATOM 765 N PHE A 50 -0.134 7.661 -2.474 1.00 0.00 N ATOM 766 CA PHE A 50 0.773 6.593 -2.078 1.00 0.00 C ATOM 767 C PHE A 50 0.113 5.607 -1.128 1.00 0.00 C ATOM 768 O PHE A 50 -0.877 5.921 -0.463 1.00 0.00 O ATOM 769 CB PHE A 50 2.027 7.162 -1.407 1.00 0.00 C ATOM 770 CG PHE A 50 2.888 7.992 -2.315 1.00 0.00 C ATOM 771 CD1 PHE A 50 3.417 7.452 -3.475 1.00 0.00 C ATOM 772 CD2 PHE A 50 3.178 9.310 -2.001 1.00 0.00 C ATOM 773 CE1 PHE A 50 4.216 8.211 -4.307 1.00 0.00 C ATOM 774 CE2 PHE A 50 3.977 10.074 -2.829 1.00 0.00 C ATOM 775 CZ PHE A 50 4.496 9.524 -3.984 1.00 0.00 C ATOM 0 H PHE A 50 -0.544 8.183 -1.699 1.00 0.00 H new ATOM 0 HA PHE A 50 1.048 6.066 -2.992 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.725 7.771 -0.555 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.622 6.337 -1.015 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.202 6.425 -3.732 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.775 9.745 -1.098 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.622 7.778 -5.210 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.195 11.100 -2.573 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.120 10.120 -4.634 1.00 0.00 H new ATOM 785 N ALA A 51 0.671 4.409 -1.083 1.00 0.00 N ATOM 786 CA ALA A 51 0.312 3.427 -0.081 1.00 0.00 C ATOM 787 C ALA A 51 1.501 3.234 0.843 1.00 0.00 C ATOM 788 O ALA A 51 2.619 3.029 0.382 1.00 0.00 O ATOM 789 CB ALA A 51 -0.086 2.114 -0.729 1.00 0.00 C ATOM 0 H ALA A 51 1.384 4.093 -1.740 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.548 3.779 0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.351 1.393 0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.942 2.276 -1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.749 1.729 -1.314 1.00 0.00 H new ATOM 795 N TYR A 52 1.272 3.316 2.135 1.00 0.00 N ATOM 796 CA TYR A 52 2.360 3.290 3.091 1.00 0.00 C ATOM 797 C TYR A 52 2.115 2.271 4.190 1.00 0.00 C ATOM 798 O TYR A 52 0.983 2.053 4.624 1.00 0.00 O ATOM 799 CB TYR A 52 2.570 4.686 3.698 1.00 0.00 C ATOM 800 CG TYR A 52 1.296 5.348 4.184 1.00 0.00 C ATOM 801 CD1 TYR A 52 0.470 6.032 3.301 1.00 0.00 C ATOM 802 CD2 TYR A 52 0.917 5.284 5.518 1.00 0.00 C ATOM 803 CE1 TYR A 52 -0.695 6.631 3.733 1.00 0.00 C ATOM 804 CE2 TYR A 52 -0.251 5.880 5.957 1.00 0.00 C ATOM 805 CZ TYR A 52 -1.053 6.552 5.059 1.00 0.00 C ATOM 806 OH TYR A 52 -2.221 7.142 5.487 1.00 0.00 O ATOM 0 H TYR A 52 0.344 3.401 2.549 1.00 0.00 H new ATOM 0 HA TYR A 52 3.263 2.993 2.557 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.266 4.606 4.533 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.038 5.328 2.952 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.745 6.096 2.258 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.544 4.760 6.224 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.324 7.160 3.033 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.534 5.819 6.998 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.329 6.994 6.450 1.00 0.00 H new ATOM 816 N VAL A 53 3.189 1.638 4.620 1.00 0.00 N ATOM 817 CA VAL A 53 3.149 0.760 5.771 1.00 0.00 C ATOM 818 C VAL A 53 3.960 1.383 6.895 1.00 0.00 C ATOM 819 O VAL A 53 5.151 1.657 6.743 1.00 0.00 O ATOM 820 CB VAL A 53 3.677 -0.660 5.453 1.00 0.00 C ATOM 821 CG1 VAL A 53 2.623 -1.463 4.708 1.00 0.00 C ATOM 822 CG2 VAL A 53 4.966 -0.599 4.644 1.00 0.00 C ATOM 0 H VAL A 53 4.108 1.717 4.184 1.00 0.00 H new ATOM 0 HA VAL A 53 2.108 0.646 6.072 1.00 0.00 H new ATOM 0 HB VAL A 53 3.895 -1.157 6.398 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.010 -2.459 4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.727 -1.547 5.324 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.375 -0.959 3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.313 -1.611 4.436 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.782 -0.078 3.704 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.727 -0.064 5.212 1.00 0.00 H new ATOM 832 N ASP A 54 3.294 1.647 8.006 1.00 0.00 N ATOM 833 CA ASP A 54 3.920 2.360 9.106 1.00 0.00 C ATOM 834 C ASP A 54 4.692 1.398 9.996 1.00 0.00 C ATOM 835 O ASP A 54 4.105 0.682 10.812 1.00 0.00 O ATOM 836 CB ASP A 54 2.868 3.112 9.927 1.00 0.00 C ATOM 837 CG ASP A 54 3.482 4.150 10.851 1.00 0.00 C ATOM 838 OD1 ASP A 54 4.095 3.767 11.868 1.00 0.00 O ATOM 839 OD2 ASP A 54 3.336 5.359 10.569 1.00 0.00 O ATOM 0 H ASP A 54 2.323 1.380 8.170 1.00 0.00 H new ATOM 0 HA ASP A 54 4.619 3.085 8.689 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.167 3.602 9.251 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.295 2.398 10.518 1.00 0.00 H new ATOM 844 N LEU A 55 6.000 1.361 9.806 1.00 0.00 N ATOM 845 CA LEU A 55 6.872 0.544 10.632 1.00 0.00 C ATOM 846 C LEU A 55 7.348 1.362 11.820 1.00 0.00 C ATOM 847 O LEU A 55 8.476 1.848 11.842 1.00 0.00 O ATOM 848 CB LEU A 55 8.075 0.023 9.827 1.00 0.00 C ATOM 849 CG LEU A 55 7.816 -1.205 8.941 1.00 0.00 C ATOM 850 CD1 LEU A 55 6.754 -0.926 7.893 1.00 0.00 C ATOM 851 CD2 LEU A 55 9.104 -1.647 8.270 1.00 0.00 C ATOM 0 H LEU A 55 6.484 1.891 9.081 1.00 0.00 H new ATOM 0 HA LEU A 55 6.310 -0.321 10.984 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.440 0.832 9.194 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.875 -0.221 10.526 1.00 0.00 H new ATOM 0 HG LEU A 55 7.449 -2.005 9.584 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.599 -1.818 7.286 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.820 -0.655 8.385 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.080 -0.105 7.255 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.908 -2.518 7.645 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.489 -0.836 7.652 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.841 -1.905 9.031 1.00 0.00 H new ATOM 863 N SER A 56 6.457 1.533 12.788 1.00 0.00 N ATOM 864 CA SER A 56 6.714 2.381 13.942 1.00 0.00 C ATOM 865 C SER A 56 7.966 1.945 14.703 1.00 0.00 C ATOM 866 O SER A 56 8.778 2.777 15.112 1.00 0.00 O ATOM 867 CB SER A 56 5.508 2.352 14.880 1.00 0.00 C ATOM 868 OG SER A 56 4.293 2.575 14.178 1.00 0.00 O ATOM 0 H SER A 56 5.539 1.089 12.794 1.00 0.00 H new ATOM 0 HA SER A 56 6.882 3.395 13.578 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.464 1.388 15.387 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.628 3.113 15.651 1.00 0.00 H new ATOM 0 HG SER A 56 4.424 3.284 13.514 1.00 0.00 H new ATOM 874 N GLY A 57 8.123 0.643 14.882 1.00 0.00 N ATOM 875 CA GLY A 57 9.215 0.135 15.687 1.00 0.00 C ATOM 876 C GLY A 57 10.247 -0.619 14.877 1.00 0.00 C ATOM 877 O GLY A 57 10.046 -0.886 13.693 1.00 0.00 O ATOM 0 H GLY A 57 7.514 -0.072 14.484 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.700 0.967 16.198 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.815 -0.523 16.458 1.00 0.00 H new ATOM 881 N SER A 58 11.347 -0.978 15.524 1.00 0.00 N ATOM 882 CA SER A 58 12.427 -1.709 14.872 1.00 0.00 C ATOM 883 C SER A 58 12.216 -3.212 15.031 1.00 0.00 C ATOM 884 O SER A 58 13.174 -3.986 15.073 1.00 0.00 O ATOM 885 CB SER A 58 13.768 -1.299 15.481 1.00 0.00 C ATOM 886 OG SER A 58 13.920 0.109 15.465 1.00 0.00 O ATOM 0 H SER A 58 11.516 -0.773 16.509 1.00 0.00 H new ATOM 0 HA SER A 58 12.429 -1.468 13.809 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.834 -1.664 16.506 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.582 -1.763 14.924 1.00 0.00 H new ATOM 0 HG SER A 58 14.784 0.349 15.861 1.00 0.00 H new ATOM 892 N GLU A 59 10.947 -3.602 15.092 1.00 0.00 N ATOM 893 CA GLU A 59 10.554 -4.983 15.334 1.00 0.00 C ATOM 894 C GLU A 59 11.099 -5.916 14.259 1.00 0.00 C ATOM 895 O GLU A 59 10.688 -5.853 13.101 1.00 0.00 O ATOM 896 CB GLU A 59 9.029 -5.077 15.378 1.00 0.00 C ATOM 897 CG GLU A 59 8.393 -4.116 16.369 1.00 0.00 C ATOM 898 CD GLU A 59 8.788 -4.408 17.801 1.00 0.00 C ATOM 899 OE1 GLU A 59 9.867 -3.958 18.232 1.00 0.00 O ATOM 900 OE2 GLU A 59 8.011 -5.089 18.503 1.00 0.00 O ATOM 0 H GLU A 59 10.159 -2.965 14.974 1.00 0.00 H new ATOM 0 HA GLU A 59 10.974 -5.295 16.290 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.631 -4.877 14.383 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.743 -6.096 15.637 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.683 -3.096 16.117 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.308 -4.171 16.277 1.00 0.00 H new ATOM 907 N PRO A 60 12.036 -6.796 14.634 1.00 0.00 N ATOM 908 CA PRO A 60 12.649 -7.735 13.704 1.00 0.00 C ATOM 909 C PRO A 60 11.766 -8.950 13.453 1.00 0.00 C ATOM 910 O PRO A 60 10.957 -9.331 14.302 1.00 0.00 O ATOM 911 CB PRO A 60 13.929 -8.143 14.426 1.00 0.00 C ATOM 912 CG PRO A 60 13.587 -8.050 15.875 1.00 0.00 C ATOM 913 CD PRO A 60 12.571 -6.944 16.003 1.00 0.00 C ATOM 0 HA PRO A 60 12.817 -7.298 12.720 1.00 0.00 H new ATOM 0 HB2 PRO A 60 14.233 -9.154 14.154 1.00 0.00 H new ATOM 0 HB3 PRO A 60 14.757 -7.482 14.170 1.00 0.00 H new ATOM 0 HG2 PRO A 60 13.181 -8.994 16.240 1.00 0.00 H new ATOM 0 HG3 PRO A 60 14.474 -7.833 16.470 1.00 0.00 H new ATOM 0 HD2 PRO A 60 11.786 -7.203 16.713 1.00 0.00 H new ATOM 0 HD3 PRO A 60 13.028 -6.020 16.356 1.00 0.00 H new ATOM 921 N GLY A 61 11.905 -9.539 12.280 1.00 0.00 N ATOM 922 CA GLY A 61 11.172 -10.741 11.973 1.00 0.00 C ATOM 923 C GLY A 61 10.160 -10.531 10.873 1.00 0.00 C ATOM 924 O GLY A 61 10.023 -9.425 10.346 1.00 0.00 O ATOM 0 H GLY A 61 12.514 -9.204 11.534 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.870 -11.524 11.676 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.662 -11.092 12.870 1.00 0.00 H new ATOM 928 N GLU A 62 9.457 -11.589 10.523 1.00 0.00 N ATOM 929 CA GLU A 62 8.426 -11.519 9.507 1.00 0.00 C ATOM 930 C GLU A 62 7.103 -11.110 10.149 1.00 0.00 C ATOM 931 O GLU A 62 6.496 -11.886 10.888 1.00 0.00 O ATOM 932 CB GLU A 62 8.300 -12.872 8.806 1.00 0.00 C ATOM 933 CG GLU A 62 7.387 -12.861 7.595 1.00 0.00 C ATOM 934 CD GLU A 62 7.352 -14.202 6.896 1.00 0.00 C ATOM 935 OE1 GLU A 62 6.602 -15.092 7.345 1.00 0.00 O ATOM 936 OE2 GLU A 62 8.089 -14.381 5.906 1.00 0.00 O ATOM 0 H GLU A 62 9.583 -12.515 10.931 1.00 0.00 H new ATOM 0 HA GLU A 62 8.693 -10.771 8.761 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.292 -13.202 8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.928 -13.606 9.521 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.378 -12.588 7.905 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.724 -12.096 6.895 1.00 0.00 H new ATOM 943 N HIS A 63 6.679 -9.881 9.890 1.00 0.00 N ATOM 944 CA HIS A 63 5.475 -9.342 10.514 1.00 0.00 C ATOM 945 C HIS A 63 4.421 -9.022 9.467 1.00 0.00 C ATOM 946 O HIS A 63 4.731 -8.887 8.283 1.00 0.00 O ATOM 947 CB HIS A 63 5.785 -8.064 11.306 1.00 0.00 C ATOM 948 CG HIS A 63 6.696 -8.256 12.477 1.00 0.00 C ATOM 949 ND1 HIS A 63 6.242 -8.391 13.771 1.00 0.00 N ATOM 950 CD2 HIS A 63 8.046 -8.309 12.550 1.00 0.00 C ATOM 951 CE1 HIS A 63 7.273 -8.518 14.584 1.00 0.00 C ATOM 952 NE2 HIS A 63 8.380 -8.474 13.870 1.00 0.00 N ATOM 0 H HIS A 63 7.149 -9.238 9.253 1.00 0.00 H new ATOM 0 HA HIS A 63 5.097 -10.105 11.194 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.233 -7.335 10.631 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.847 -7.636 11.660 1.00 0.00 H new ATOM 0 HD2 HIS A 63 8.734 -8.235 11.721 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.219 -8.638 15.656 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.328 -8.550 14.238 1.00 0.00 H new ATOM 961 N ASP A 64 3.182 -8.888 9.910 1.00 0.00 N ATOM 962 CA ASP A 64 2.098 -8.477 9.033 1.00 0.00 C ATOM 963 C ASP A 64 1.905 -6.976 9.161 1.00 0.00 C ATOM 964 O ASP A 64 1.776 -6.455 10.270 1.00 0.00 O ATOM 965 CB ASP A 64 0.791 -9.194 9.385 1.00 0.00 C ATOM 966 CG ASP A 64 0.888 -10.701 9.272 1.00 0.00 C ATOM 967 OD1 ASP A 64 1.045 -11.214 8.144 1.00 0.00 O ATOM 968 OD2 ASP A 64 0.791 -11.384 10.314 1.00 0.00 O ATOM 0 H ASP A 64 2.901 -9.059 10.876 1.00 0.00 H new ATOM 0 HA ASP A 64 2.360 -8.742 8.009 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.502 -8.930 10.402 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.001 -8.837 8.726 1.00 0.00 H new ATOM 973 N TYR A 65 1.913 -6.277 8.041 1.00 0.00 N ATOM 974 CA TYR A 65 1.795 -4.831 8.061 1.00 0.00 C ATOM 975 C TYR A 65 0.531 -4.375 7.358 1.00 0.00 C ATOM 976 O TYR A 65 0.196 -4.849 6.270 1.00 0.00 O ATOM 977 CB TYR A 65 3.034 -4.187 7.439 1.00 0.00 C ATOM 978 CG TYR A 65 4.291 -4.516 8.206 1.00 0.00 C ATOM 979 CD1 TYR A 65 4.589 -3.862 9.393 1.00 0.00 C ATOM 980 CD2 TYR A 65 5.158 -5.506 7.764 1.00 0.00 C ATOM 981 CE1 TYR A 65 5.720 -4.181 10.116 1.00 0.00 C ATOM 982 CE2 TYR A 65 6.286 -5.835 8.486 1.00 0.00 C ATOM 983 CZ TYR A 65 6.563 -5.169 9.659 1.00 0.00 C ATOM 984 OH TYR A 65 7.676 -5.506 10.388 1.00 0.00 O ATOM 0 H TYR A 65 2.000 -6.685 7.110 1.00 0.00 H new ATOM 0 HA TYR A 65 1.726 -4.508 9.100 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.140 -4.526 6.409 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.902 -3.105 7.407 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.925 -3.091 9.757 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.946 -6.026 6.841 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.943 -3.659 11.035 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.949 -6.611 8.133 1.00 0.00 H new ATOM 0 HH TYR A 65 7.421 -5.662 11.321 1.00 0.00 H new ATOM 994 N GLU A 66 -0.166 -3.456 8.005 1.00 0.00 N ATOM 995 CA GLU A 66 -1.431 -2.944 7.512 1.00 0.00 C ATOM 996 C GLU A 66 -1.191 -1.951 6.387 1.00 0.00 C ATOM 997 O GLU A 66 -0.513 -0.938 6.584 1.00 0.00 O ATOM 998 CB GLU A 66 -2.175 -2.257 8.655 1.00 0.00 C ATOM 999 CG GLU A 66 -2.214 -3.076 9.933 1.00 0.00 C ATOM 1000 CD GLU A 66 -2.644 -2.259 11.131 1.00 0.00 C ATOM 1001 OE1 GLU A 66 -1.875 -1.370 11.554 1.00 0.00 O ATOM 1002 OE2 GLU A 66 -3.746 -2.499 11.659 1.00 0.00 O ATOM 0 H GLU A 66 0.131 -3.044 8.889 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.029 -3.771 7.129 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.700 -1.298 8.862 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.196 -2.045 8.338 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.899 -3.913 9.803 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.227 -3.498 10.121 1.00 0.00 H new ATOM 1009 N VAL A 67 -1.734 -2.238 5.215 1.00 0.00 N ATOM 1010 CA VAL A 67 -1.592 -1.342 4.082 1.00 0.00 C ATOM 1011 C VAL A 67 -2.468 -0.113 4.276 1.00 0.00 C ATOM 1012 O VAL A 67 -3.697 -0.182 4.188 1.00 0.00 O ATOM 1013 CB VAL A 67 -1.947 -2.033 2.747 1.00 0.00 C ATOM 1014 CG1 VAL A 67 -1.806 -1.064 1.581 1.00 0.00 C ATOM 1015 CG2 VAL A 67 -1.067 -3.256 2.533 1.00 0.00 C ATOM 0 H VAL A 67 -2.275 -3.082 5.025 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.545 -1.044 4.031 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.987 -2.356 2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.061 -1.573 0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.478 -0.218 1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.778 -0.706 1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.329 -3.732 1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.021 -2.951 2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.220 -3.962 3.350 1.00 0.00 H new ATOM 1025 N LYS A 68 -1.827 1.000 4.585 1.00 0.00 N ATOM 1026 CA LYS A 68 -2.519 2.260 4.761 1.00 0.00 C ATOM 1027 C LYS A 68 -2.367 3.104 3.505 1.00 0.00 C ATOM 1028 O LYS A 68 -1.257 3.332 3.031 1.00 0.00 O ATOM 1029 CB LYS A 68 -1.962 3.008 5.974 1.00 0.00 C ATOM 1030 CG LYS A 68 -2.286 2.357 7.312 1.00 0.00 C ATOM 1031 CD LYS A 68 -1.535 3.037 8.448 1.00 0.00 C ATOM 1032 CE LYS A 68 -2.082 2.641 9.812 1.00 0.00 C ATOM 1033 NZ LYS A 68 -2.031 1.172 10.048 1.00 0.00 N ATOM 0 H LYS A 68 -0.817 1.054 4.720 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.577 2.065 4.935 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.879 3.086 5.873 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.356 4.024 5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.359 2.412 7.497 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.022 1.300 7.279 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.478 2.775 8.392 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.602 4.119 8.331 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.511 3.150 10.589 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.113 2.983 9.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.336 0.966 11.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.664 0.691 9.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.058 0.832 9.911 1.00 0.00 H new ATOM 1047 N VAL A 69 -3.479 3.546 2.957 1.00 0.00 N ATOM 1048 CA VAL A 69 -3.462 4.347 1.744 1.00 0.00 C ATOM 1049 C VAL A 69 -3.692 5.815 2.086 1.00 0.00 C ATOM 1050 O VAL A 69 -4.384 6.121 3.058 1.00 0.00 O ATOM 1051 CB VAL A 69 -4.548 3.865 0.749 1.00 0.00 C ATOM 1052 CG1 VAL A 69 -4.492 4.651 -0.552 1.00 0.00 C ATOM 1053 CG2 VAL A 69 -4.398 2.375 0.477 1.00 0.00 C ATOM 0 H VAL A 69 -4.411 3.365 3.331 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.486 4.233 1.273 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.522 4.041 1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.266 4.289 -1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.656 5.709 -0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.514 4.519 -1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.169 2.054 -0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.415 2.180 0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.503 1.822 1.411 1.00 0.00 H new ATOM 1063 N GLU A 70 -3.072 6.711 1.322 1.00 0.00 N ATOM 1064 CA GLU A 70 -3.329 8.140 1.457 1.00 0.00 C ATOM 1065 C GLU A 70 -4.806 8.416 1.215 1.00 0.00 C ATOM 1066 O GLU A 70 -5.309 8.183 0.116 1.00 0.00 O ATOM 1067 CB GLU A 70 -2.477 8.936 0.463 1.00 0.00 C ATOM 1068 CG GLU A 70 -0.991 8.935 0.783 1.00 0.00 C ATOM 1069 CD GLU A 70 -0.635 9.855 1.932 1.00 0.00 C ATOM 1070 OE1 GLU A 70 -1.133 9.644 3.057 1.00 0.00 O ATOM 1071 OE2 GLU A 70 0.166 10.790 1.721 1.00 0.00 O ATOM 0 H GLU A 70 -2.389 6.472 0.604 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.062 8.453 2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.623 8.525 -0.536 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.832 9.966 0.439 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.678 7.920 1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.433 9.237 -0.104 1.00 0.00 H new ATOM 1078 N PRO A 71 -5.526 8.891 2.241 1.00 0.00 N ATOM 1079 CA PRO A 71 -6.968 9.128 2.153 1.00 0.00 C ATOM 1080 C PRO A 71 -7.329 10.123 1.058 1.00 0.00 C ATOM 1081 O PRO A 71 -7.058 11.321 1.177 1.00 0.00 O ATOM 1082 CB PRO A 71 -7.335 9.690 3.533 1.00 0.00 C ATOM 1083 CG PRO A 71 -6.045 10.145 4.127 1.00 0.00 C ATOM 1084 CD PRO A 71 -4.990 9.241 3.564 1.00 0.00 C ATOM 0 HA PRO A 71 -7.509 8.217 1.898 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.041 10.516 3.447 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.808 8.930 4.155 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.844 11.186 3.873 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.073 10.082 5.215 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.026 9.744 3.489 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.841 8.358 4.186 1.00 0.00 H new ATOM 1092 N ILE A 72 -7.918 9.619 -0.018 1.00 0.00 N ATOM 1093 CA ILE A 72 -8.356 10.469 -1.112 1.00 0.00 C ATOM 1094 C ILE A 72 -9.695 11.090 -0.758 1.00 0.00 C ATOM 1095 O ILE A 72 -10.711 10.392 -0.695 1.00 0.00 O ATOM 1096 CB ILE A 72 -8.497 9.708 -2.450 1.00 0.00 C ATOM 1097 CG1 ILE A 72 -7.260 8.852 -2.750 1.00 0.00 C ATOM 1098 CG2 ILE A 72 -8.738 10.689 -3.586 1.00 0.00 C ATOM 1099 CD1 ILE A 72 -7.327 7.451 -2.177 1.00 0.00 C ATOM 0 H ILE A 72 -8.103 8.625 -0.155 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.589 11.231 -1.250 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.352 9.038 -2.361 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.130 8.786 -3.830 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.378 9.354 -2.353 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.836 10.143 -4.524 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.653 11.249 -3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.898 11.380 -3.655 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.416 6.910 -2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.425 7.506 -1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.188 6.928 -2.593 1.00 0.00 H new ATOM 1111 N PRO A 73 -9.727 12.404 -0.529 1.00 0.00 N ATOM 1112 CA PRO A 73 -10.911 13.090 -0.028 1.00 0.00 C ATOM 1113 C PRO A 73 -11.908 13.438 -1.122 1.00 0.00 C ATOM 1114 O PRO A 73 -12.714 14.358 -0.979 1.00 0.00 O ATOM 1115 CB PRO A 73 -10.319 14.349 0.595 1.00 0.00 C ATOM 1116 CG PRO A 73 -9.123 14.657 -0.238 1.00 0.00 C ATOM 1117 CD PRO A 73 -8.598 13.336 -0.740 1.00 0.00 C ATOM 0 HA PRO A 73 -11.486 12.474 0.663 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.034 15.172 0.581 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -10.044 14.184 1.637 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.387 15.310 -1.069 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.366 15.178 0.348 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.316 13.391 -1.791 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.712 13.022 -0.188 1.00 0.00 H new ATOM 1125 N ASN A 74 -11.853 12.687 -2.202 1.00 0.00 N ATOM 1126 CA ASN A 74 -12.746 12.904 -3.340 1.00 0.00 C ATOM 1127 C ASN A 74 -13.146 11.590 -4.002 1.00 0.00 C ATOM 1128 O ASN A 74 -13.923 11.582 -4.954 1.00 0.00 O ATOM 1129 CB ASN A 74 -12.092 13.816 -4.385 1.00 0.00 C ATOM 1130 CG ASN A 74 -11.817 15.215 -3.868 1.00 0.00 C ATOM 1131 OD1 ASN A 74 -10.724 15.506 -3.379 1.00 0.00 O ATOM 1132 ND2 ASN A 74 -12.809 16.085 -3.957 1.00 0.00 N ATOM 0 H ASN A 74 -11.198 11.915 -2.324 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.643 13.385 -2.949 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -11.155 13.367 -4.715 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.740 13.879 -5.259 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -12.684 17.037 -3.614 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.699 15.804 -4.369 1.00 0.00 H new ATOM 1139 N ILE A 75 -12.629 10.476 -3.498 1.00 0.00 N ATOM 1140 CA ILE A 75 -12.896 9.182 -4.106 1.00 0.00 C ATOM 1141 C ILE A 75 -13.354 8.186 -3.053 1.00 0.00 C ATOM 1142 O ILE A 75 -12.769 8.095 -1.971 1.00 0.00 O ATOM 1143 CB ILE A 75 -11.653 8.624 -4.840 1.00 0.00 C ATOM 1144 CG1 ILE A 75 -11.245 9.558 -5.985 1.00 0.00 C ATOM 1145 CG2 ILE A 75 -11.925 7.222 -5.373 1.00 0.00 C ATOM 1146 CD1 ILE A 75 -10.018 9.095 -6.741 1.00 0.00 C ATOM 0 H ILE A 75 -12.027 10.444 -2.675 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.688 9.328 -4.841 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.832 8.566 -4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -12.078 9.648 -6.682 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -11.058 10.553 -5.581 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -11.038 6.849 -5.885 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -12.171 6.559 -4.544 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -12.761 7.254 -6.072 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.790 9.806 -7.536 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.172 9.032 -6.057 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.207 8.113 -7.176 1.00 0.00 H new ATOM 1158 N LYS A 76 -14.405 7.454 -3.371 1.00 0.00 N ATOM 1159 CA LYS A 76 -14.940 6.449 -2.475 1.00 0.00 C ATOM 1160 C LYS A 76 -14.154 5.153 -2.625 1.00 0.00 C ATOM 1161 O LYS A 76 -14.192 4.507 -3.669 1.00 0.00 O ATOM 1162 CB LYS A 76 -16.420 6.234 -2.780 1.00 0.00 C ATOM 1163 CG LYS A 76 -17.091 5.169 -1.936 1.00 0.00 C ATOM 1164 CD LYS A 76 -18.597 5.284 -2.053 1.00 0.00 C ATOM 1165 CE LYS A 76 -19.319 4.116 -1.405 1.00 0.00 C ATOM 1166 NZ LYS A 76 -19.065 2.836 -2.117 1.00 0.00 N ATOM 0 H LYS A 76 -14.909 7.539 -4.254 1.00 0.00 H new ATOM 0 HA LYS A 76 -14.845 6.785 -1.442 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.947 7.177 -2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.525 5.965 -3.831 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.768 4.180 -2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -16.790 5.277 -0.894 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -18.925 6.214 -1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.874 5.340 -3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -18.998 4.023 -0.367 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -20.390 4.316 -1.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -19.940 2.274 -2.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -18.751 3.035 -3.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -18.326 2.302 -1.617 1.00 0.00 H new ATOM 1180 N ILE A 77 -13.430 4.787 -1.586 1.00 0.00 N ATOM 1181 CA ILE A 77 -12.577 3.611 -1.645 1.00 0.00 C ATOM 1182 C ILE A 77 -13.405 2.349 -1.422 1.00 0.00 C ATOM 1183 O ILE A 77 -14.141 2.233 -0.439 1.00 0.00 O ATOM 1184 CB ILE A 77 -11.403 3.691 -0.639 1.00 0.00 C ATOM 1185 CG1 ILE A 77 -10.568 2.405 -0.683 1.00 0.00 C ATOM 1186 CG2 ILE A 77 -11.906 3.962 0.772 1.00 0.00 C ATOM 1187 CD1 ILE A 77 -9.330 2.452 0.188 1.00 0.00 C ATOM 0 H ILE A 77 -13.413 5.282 -0.694 1.00 0.00 H new ATOM 0 HA ILE A 77 -12.135 3.571 -2.641 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.765 4.525 -0.930 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.191 1.567 -0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.269 2.211 -1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.059 4.013 1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -12.445 4.909 0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -12.574 3.158 1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.791 1.508 0.105 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.686 3.268 -0.139 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.621 2.614 1.226 1.00 0.00 H new ATOM 1199 N VAL A 78 -13.305 1.422 -2.359 1.00 0.00 N ATOM 1200 CA VAL A 78 -14.135 0.230 -2.347 1.00 0.00 C ATOM 1201 C VAL A 78 -13.434 -0.927 -1.646 1.00 0.00 C ATOM 1202 O VAL A 78 -13.974 -1.510 -0.703 1.00 0.00 O ATOM 1203 CB VAL A 78 -14.510 -0.200 -3.781 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -15.520 -1.333 -3.767 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -15.045 0.978 -4.577 1.00 0.00 C ATOM 0 H VAL A 78 -12.653 1.473 -3.142 1.00 0.00 H new ATOM 0 HA VAL A 78 -15.043 0.480 -1.798 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.603 -0.560 -4.266 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.765 -1.615 -4.791 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -15.096 -2.192 -3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.425 -1.007 -3.254 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -15.302 0.650 -5.584 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -15.934 1.375 -4.087 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.283 1.756 -4.632 1.00 0.00 H new ATOM 1215 N GLU A 79 -12.228 -1.248 -2.091 1.00 0.00 N ATOM 1216 CA GLU A 79 -11.524 -2.412 -1.572 1.00 0.00 C ATOM 1217 C GLU A 79 -10.017 -2.229 -1.694 1.00 0.00 C ATOM 1218 O GLU A 79 -9.547 -1.451 -2.522 1.00 0.00 O ATOM 1219 CB GLU A 79 -11.953 -3.658 -2.344 1.00 0.00 C ATOM 1220 CG GLU A 79 -11.595 -4.964 -1.658 1.00 0.00 C ATOM 1221 CD GLU A 79 -11.997 -6.174 -2.473 1.00 0.00 C ATOM 1222 OE1 GLU A 79 -13.203 -6.499 -2.508 1.00 0.00 O ATOM 1223 OE2 GLU A 79 -11.110 -6.799 -3.086 1.00 0.00 O ATOM 0 H GLU A 79 -11.720 -0.724 -2.804 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.776 -2.528 -0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.032 -3.624 -2.498 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.490 -3.639 -3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.521 -4.993 -1.476 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.084 -5.006 -0.685 1.00 0.00 H new ATOM 1230 N ILE A 80 -9.272 -2.948 -0.865 1.00 0.00 N ATOM 1231 CA ILE A 80 -7.818 -2.927 -0.914 1.00 0.00 C ATOM 1232 C ILE A 80 -7.291 -4.343 -1.125 1.00 0.00 C ATOM 1233 O ILE A 80 -7.735 -5.279 -0.458 1.00 0.00 O ATOM 1234 CB ILE A 80 -7.215 -2.343 0.386 1.00 0.00 C ATOM 1235 CG1 ILE A 80 -7.783 -0.947 0.665 1.00 0.00 C ATOM 1236 CG2 ILE A 80 -5.696 -2.291 0.297 1.00 0.00 C ATOM 1237 CD1 ILE A 80 -7.289 -0.335 1.960 1.00 0.00 C ATOM 0 H ILE A 80 -9.657 -3.558 -0.144 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.519 -2.288 -1.745 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.489 -2.998 1.213 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.521 -0.286 -0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.871 -1.006 0.694 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.291 -1.877 1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.306 -3.298 0.149 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.402 -1.660 -0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -7.734 0.652 2.089 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.574 -0.974 2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.203 -0.242 1.928 1.00 0.00 H new ATOM 1249 N SER A 81 -6.374 -4.506 -2.064 1.00 0.00 N ATOM 1250 CA SER A 81 -5.804 -5.811 -2.344 1.00 0.00 C ATOM 1251 C SER A 81 -4.299 -5.700 -2.592 1.00 0.00 C ATOM 1252 O SER A 81 -3.872 -5.136 -3.601 1.00 0.00 O ATOM 1253 CB SER A 81 -6.494 -6.426 -3.566 1.00 0.00 C ATOM 1254 OG SER A 81 -6.085 -7.768 -3.773 1.00 0.00 O ATOM 0 H SER A 81 -6.009 -3.751 -2.644 1.00 0.00 H new ATOM 0 HA SER A 81 -5.963 -6.455 -1.479 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.575 -6.391 -3.431 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.264 -5.834 -4.452 1.00 0.00 H new ATOM 0 HG SER A 81 -6.544 -8.132 -4.558 1.00 0.00 H new ATOM 1260 N PRO A 82 -3.465 -6.214 -1.671 1.00 0.00 N ATOM 1261 CA PRO A 82 -3.901 -6.819 -0.414 1.00 0.00 C ATOM 1262 C PRO A 82 -4.058 -5.783 0.701 1.00 0.00 C ATOM 1263 O PRO A 82 -3.408 -4.739 0.683 1.00 0.00 O ATOM 1264 CB PRO A 82 -2.758 -7.791 -0.073 1.00 0.00 C ATOM 1265 CG PRO A 82 -1.685 -7.566 -1.098 1.00 0.00 C ATOM 1266 CD PRO A 82 -2.012 -6.274 -1.794 1.00 0.00 C ATOM 0 HA PRO A 82 -4.876 -7.296 -0.508 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.379 -7.606 0.932 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.107 -8.823 -0.097 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.704 -7.513 -0.625 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.652 -8.391 -1.810 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.528 -5.422 -1.318 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.692 -6.281 -2.836 1.00 0.00 H new ATOM 1274 N ARG A 83 -4.924 -6.071 1.666 1.00 0.00 N ATOM 1275 CA ARG A 83 -5.132 -5.171 2.799 1.00 0.00 C ATOM 1276 C ARG A 83 -3.988 -5.267 3.803 1.00 0.00 C ATOM 1277 O ARG A 83 -3.612 -4.276 4.429 1.00 0.00 O ATOM 1278 CB ARG A 83 -6.460 -5.480 3.490 1.00 0.00 C ATOM 1279 CG ARG A 83 -7.669 -4.978 2.725 1.00 0.00 C ATOM 1280 CD ARG A 83 -8.967 -5.432 3.367 1.00 0.00 C ATOM 1281 NE ARG A 83 -9.218 -6.859 3.158 1.00 0.00 N ATOM 1282 CZ ARG A 83 -10.127 -7.556 3.837 1.00 0.00 C ATOM 1283 NH1 ARG A 83 -10.808 -6.980 4.820 1.00 0.00 N ATOM 1284 NH2 ARG A 83 -10.355 -8.826 3.529 1.00 0.00 N ATOM 0 H ARG A 83 -5.493 -6.917 1.689 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.159 -4.153 2.411 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.548 -6.558 3.626 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.457 -5.032 4.484 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.646 -3.889 2.681 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.625 -5.339 1.697 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.934 -5.224 4.436 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.795 -4.855 2.955 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.666 -7.347 2.453 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.635 -6.003 5.056 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.504 -7.515 5.340 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.834 -9.269 2.772 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.051 -9.360 4.049 1.00 0.00 H new ATOM 1298 N VAL A 84 -3.442 -6.464 3.956 1.00 0.00 N ATOM 1299 CA VAL A 84 -2.328 -6.686 4.868 1.00 0.00 C ATOM 1300 C VAL A 84 -1.206 -7.420 4.147 1.00 0.00 C ATOM 1301 O VAL A 84 -1.442 -8.438 3.495 1.00 0.00 O ATOM 1302 CB VAL A 84 -2.762 -7.498 6.111 1.00 0.00 C ATOM 1303 CG1 VAL A 84 -1.579 -7.765 7.028 1.00 0.00 C ATOM 1304 CG2 VAL A 84 -3.862 -6.772 6.870 1.00 0.00 C ATOM 0 H VAL A 84 -3.753 -7.299 3.459 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.976 -5.711 5.206 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.151 -8.456 5.765 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.912 -8.337 7.894 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.821 -8.332 6.488 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.155 -6.817 7.361 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.153 -7.360 7.740 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.497 -5.798 7.196 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.725 -6.637 6.219 1.00 0.00 H new ATOM 1314 N VAL A 85 0.005 -6.896 4.251 1.00 0.00 N ATOM 1315 CA VAL A 85 1.158 -7.512 3.612 1.00 0.00 C ATOM 1316 C VAL A 85 2.167 -7.984 4.652 1.00 0.00 C ATOM 1317 O VAL A 85 2.487 -7.263 5.597 1.00 0.00 O ATOM 1318 CB VAL A 85 1.851 -6.554 2.615 1.00 0.00 C ATOM 1319 CG1 VAL A 85 0.958 -6.294 1.413 1.00 0.00 C ATOM 1320 CG2 VAL A 85 2.230 -5.243 3.289 1.00 0.00 C ATOM 0 H VAL A 85 0.215 -6.045 4.772 1.00 0.00 H new ATOM 0 HA VAL A 85 0.786 -8.371 3.053 1.00 0.00 H new ATOM 0 HB VAL A 85 2.766 -7.035 2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.464 -5.618 0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.745 -7.236 0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.024 -5.842 1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.715 -4.589 2.565 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.332 -4.758 3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.914 -5.442 4.114 1.00 0.00 H new ATOM 1330 N THR A 86 2.647 -9.203 4.487 1.00 0.00 N ATOM 1331 CA THR A 86 3.631 -9.763 5.393 1.00 0.00 C ATOM 1332 C THR A 86 5.042 -9.457 4.892 1.00 0.00 C ATOM 1333 O THR A 86 5.440 -9.910 3.819 1.00 0.00 O ATOM 1334 CB THR A 86 3.442 -11.284 5.527 1.00 0.00 C ATOM 1335 OG1 THR A 86 2.052 -11.578 5.729 1.00 0.00 O ATOM 1336 CG2 THR A 86 4.249 -11.834 6.691 1.00 0.00 C ATOM 0 H THR A 86 2.369 -9.827 3.729 1.00 0.00 H new ATOM 0 HA THR A 86 3.493 -9.307 6.374 1.00 0.00 H new ATOM 0 HB THR A 86 3.794 -11.756 4.610 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.866 -11.635 6.689 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.097 -12.911 6.763 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.307 -11.627 6.530 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.923 -11.359 7.616 1.00 0.00 H new ATOM 1344 N LEU A 87 5.781 -8.673 5.663 1.00 0.00 N ATOM 1345 CA LEU A 87 7.122 -8.261 5.273 1.00 0.00 C ATOM 1346 C LEU A 87 8.141 -8.762 6.287 1.00 0.00 C ATOM 1347 O LEU A 87 7.901 -8.721 7.497 1.00 0.00 O ATOM 1348 CB LEU A 87 7.205 -6.733 5.168 1.00 0.00 C ATOM 1349 CG LEU A 87 6.199 -6.082 4.215 1.00 0.00 C ATOM 1350 CD1 LEU A 87 6.295 -4.567 4.295 1.00 0.00 C ATOM 1351 CD2 LEU A 87 6.429 -6.553 2.785 1.00 0.00 C ATOM 0 H LEU A 87 5.474 -8.308 6.565 1.00 0.00 H new ATOM 0 HA LEU A 87 7.345 -8.694 4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.063 -6.310 6.162 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.211 -6.462 4.847 1.00 0.00 H new ATOM 0 HG LEU A 87 5.197 -6.384 4.519 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.573 -4.120 3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.080 -4.242 5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.301 -4.251 4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.703 -6.078 2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.437 -6.283 2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.311 -7.635 2.735 1.00 0.00 H new ATOM 1363 N GLN A 88 9.274 -9.237 5.795 1.00 0.00 N ATOM 1364 CA GLN A 88 10.320 -9.748 6.667 1.00 0.00 C ATOM 1365 C GLN A 88 11.335 -8.656 6.983 1.00 0.00 C ATOM 1366 O GLN A 88 12.024 -8.151 6.090 1.00 0.00 O ATOM 1367 CB GLN A 88 11.020 -10.948 6.025 1.00 0.00 C ATOM 1368 CG GLN A 88 12.086 -11.571 6.912 1.00 0.00 C ATOM 1369 CD GLN A 88 12.788 -12.743 6.255 1.00 0.00 C ATOM 1370 OE1 GLN A 88 12.205 -13.457 5.438 1.00 0.00 O ATOM 1371 NE2 GLN A 88 14.044 -12.950 6.612 1.00 0.00 N ATOM 0 H GLN A 88 9.493 -9.279 4.800 1.00 0.00 H new ATOM 0 HA GLN A 88 9.856 -10.074 7.598 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.275 -11.705 5.779 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.477 -10.633 5.087 1.00 0.00 H new ATOM 0 HG2 GLN A 88 12.823 -10.812 7.173 1.00 0.00 H new ATOM 0 HG3 GLN A 88 11.628 -11.904 7.843 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.489 -12.334 7.293 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.568 -13.726 6.207 1.00 0.00 H new ATOM 1380 N LEU A 89 11.415 -8.287 8.252 1.00 0.00 N ATOM 1381 CA LEU A 89 12.385 -7.302 8.694 1.00 0.00 C ATOM 1382 C LEU A 89 13.582 -7.966 9.335 1.00 0.00 C ATOM 1383 O LEU A 89 13.447 -8.889 10.138 1.00 0.00 O ATOM 1384 CB LEU A 89 11.786 -6.323 9.703 1.00 0.00 C ATOM 1385 CG LEU A 89 10.797 -5.315 9.139 1.00 0.00 C ATOM 1386 CD1 LEU A 89 10.449 -4.282 10.198 1.00 0.00 C ATOM 1387 CD2 LEU A 89 11.361 -4.642 7.900 1.00 0.00 C ATOM 0 H LEU A 89 10.819 -8.656 8.993 1.00 0.00 H new ATOM 0 HA LEU A 89 12.692 -6.756 7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.287 -6.896 10.484 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.601 -5.777 10.179 1.00 0.00 H new ATOM 0 HG LEU A 89 9.888 -5.842 8.850 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.740 -3.564 9.786 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.003 -4.780 11.059 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.354 -3.761 10.509 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.637 -3.925 7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 89 12.284 -4.122 8.157 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.568 -5.395 7.139 1.00 0.00 H new ATOM 1399 N GLU A 90 14.744 -7.488 8.972 1.00 0.00 N ATOM 1400 CA GLU A 90 15.962 -7.850 9.656 1.00 0.00 C ATOM 1401 C GLU A 90 16.565 -6.584 10.235 1.00 0.00 C ATOM 1402 O GLU A 90 16.091 -5.488 9.943 1.00 0.00 O ATOM 1403 CB GLU A 90 16.944 -8.540 8.705 1.00 0.00 C ATOM 1404 CG GLU A 90 16.454 -9.887 8.198 1.00 0.00 C ATOM 1405 CD GLU A 90 17.530 -10.653 7.462 1.00 0.00 C ATOM 1406 OE1 GLU A 90 17.684 -10.452 6.240 1.00 0.00 O ATOM 1407 OE2 GLU A 90 18.236 -11.457 8.103 1.00 0.00 O ATOM 0 H GLU A 90 14.874 -6.839 8.196 1.00 0.00 H new ATOM 0 HA GLU A 90 15.744 -8.560 10.454 1.00 0.00 H new ATOM 0 HB2 GLU A 90 17.132 -7.887 7.853 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.896 -8.678 9.217 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.100 -10.482 9.040 1.00 0.00 H new ATOM 0 HG3 GLU A 90 15.602 -9.734 7.535 1.00 0.00 H new ATOM 1414 N HIS A 91 17.580 -6.713 11.061 1.00 0.00 N ATOM 1415 CA HIS A 91 18.239 -5.536 11.595 1.00 0.00 C ATOM 1416 C HIS A 91 19.265 -5.024 10.602 1.00 0.00 C ATOM 1417 O HIS A 91 19.598 -5.713 9.638 1.00 0.00 O ATOM 1418 CB HIS A 91 18.881 -5.813 12.954 1.00 0.00 C ATOM 1419 CG HIS A 91 17.908 -5.745 14.092 1.00 0.00 C ATOM 1420 ND1 HIS A 91 17.229 -4.592 14.430 1.00 0.00 N ATOM 1421 CD2 HIS A 91 17.496 -6.688 14.967 1.00 0.00 C ATOM 1422 CE1 HIS A 91 16.447 -4.832 15.466 1.00 0.00 C ATOM 1423 NE2 HIS A 91 16.590 -6.097 15.812 1.00 0.00 N ATOM 0 H HIS A 91 17.964 -7.604 11.375 1.00 0.00 H new ATOM 0 HA HIS A 91 17.484 -4.766 11.752 1.00 0.00 H new ATOM 0 HB2 HIS A 91 19.341 -6.801 12.937 1.00 0.00 H new ATOM 0 HB3 HIS A 91 19.680 -5.092 13.125 1.00 0.00 H new ATOM 0 HD1 HIS A 91 17.318 -3.694 13.954 1.00 0.00 H new ATOM 0 HD2 HIS A 91 17.820 -7.718 14.996 1.00 0.00 H new ATOM 0 HE1 HIS A 91 15.800 -4.114 15.949 1.00 0.00 H new ATOM 1432 N HIS A 92 19.735 -3.806 10.828 1.00 0.00 N ATOM 1433 CA HIS A 92 20.706 -3.176 9.940 1.00 0.00 C ATOM 1434 C HIS A 92 21.916 -4.086 9.752 1.00 0.00 C ATOM 1435 O HIS A 92 22.379 -4.294 8.631 1.00 0.00 O ATOM 1436 CB HIS A 92 21.137 -1.822 10.514 1.00 0.00 C ATOM 1437 CG HIS A 92 21.963 -0.990 9.581 1.00 0.00 C ATOM 1438 ND1 HIS A 92 21.516 0.196 9.042 1.00 0.00 N ATOM 1439 CD2 HIS A 92 23.219 -1.165 9.109 1.00 0.00 C ATOM 1440 CE1 HIS A 92 22.461 0.712 8.277 1.00 0.00 C ATOM 1441 NE2 HIS A 92 23.505 -0.095 8.303 1.00 0.00 N ATOM 0 H HIS A 92 19.459 -3.230 11.623 1.00 0.00 H new ATOM 0 HA HIS A 92 20.243 -3.012 8.967 1.00 0.00 H new ATOM 0 HB2 HIS A 92 20.246 -1.259 10.792 1.00 0.00 H new ATOM 0 HB3 HIS A 92 21.705 -1.993 11.429 1.00 0.00 H new ATOM 0 HD1 HIS A 92 20.599 0.611 9.208 1.00 0.00 H new ATOM 0 HD2 HIS A 92 23.875 -1.995 9.327 1.00 0.00 H new ATOM 0 HE1 HIS A 92 22.391 1.637 7.724 1.00 0.00 H new