USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 711 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 41 THR OG1 : rot -170:sc= 0.28 USER MOD Set 1.2: A 48 GLN : amide:sc= -0.396 K(o=-4,f=-15) USER MOD Set 1.3: A 79 MET CE :methyl -161:sc= -3.88 (180deg=-5.77!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0119 USER MOD Single : A 13 LYS NZ :NH3+ 179:sc= 0.209 (180deg=0.209) USER MOD Single : A 17 GLN : amide:sc= -0.0126 X(o=-0.013,f=0) USER MOD Single : A 19 TYR OH : rot 37:sc= 0.0969 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc=-0.00828 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.215 K(o=-0.21,f=-2.3!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0239 K(o=-0.024,f=-4.6!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -5.37! C(o=-5.4!,f=-8.1!) USER MOD Single : A 75 THR OG1 : rot 18:sc= -2.47 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -107:sc= -0.592 (180deg=-3.87!) USER MOD Single : A 82 THR OG1 : rot 150:sc= -0.0689 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.532 -2.900 -7.546 1.00 0.00 N ATOM 2 CA GLY A 1 18.321 -3.517 -7.034 1.00 0.00 C ATOM 3 C GLY A 1 17.208 -2.482 -6.863 1.00 0.00 C ATOM 4 O GLY A 1 16.359 -2.328 -7.740 1.00 0.00 O ATOM 0 H1 GLY A 1 20.272 -3.623 -7.653 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.336 -2.466 -8.470 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.857 -2.169 -6.882 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.992 -4.301 -7.716 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.529 -3.994 -6.076 1.00 0.00 H new ATOM 8 N SER A 2 17.247 -1.800 -5.728 1.00 0.00 N ATOM 9 CA SER A 2 16.251 -0.783 -5.431 1.00 0.00 C ATOM 10 C SER A 2 16.915 0.593 -5.354 1.00 0.00 C ATOM 11 O SER A 2 18.023 0.724 -4.835 1.00 0.00 O ATOM 12 CB SER A 2 15.521 -1.094 -4.123 1.00 0.00 C ATOM 13 OG SER A 2 14.742 -2.283 -4.216 1.00 0.00 O ATOM 0 H SER A 2 17.952 -1.931 -5.003 1.00 0.00 H new ATOM 0 HA SER A 2 15.515 -0.779 -6.235 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.248 -1.199 -3.318 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.874 -0.257 -3.861 1.00 0.00 H new ATOM 0 HG SER A 2 14.293 -2.448 -3.361 1.00 0.00 H new ATOM 19 N SER A 3 16.211 1.584 -5.879 1.00 0.00 N ATOM 20 CA SER A 3 16.718 2.946 -5.877 1.00 0.00 C ATOM 21 C SER A 3 15.640 3.907 -6.381 1.00 0.00 C ATOM 22 O SER A 3 14.897 3.582 -7.306 1.00 0.00 O ATOM 23 CB SER A 3 17.979 3.066 -6.735 1.00 0.00 C ATOM 24 OG SER A 3 18.410 4.417 -6.865 1.00 0.00 O ATOM 0 H SER A 3 15.293 1.471 -6.309 1.00 0.00 H new ATOM 0 HA SER A 3 16.981 3.211 -4.853 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.778 2.472 -6.291 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.785 2.651 -7.724 1.00 0.00 H new ATOM 0 HG SER A 3 19.218 4.451 -7.418 1.00 0.00 H new ATOM 30 N GLY A 4 15.588 5.071 -5.751 1.00 0.00 N ATOM 31 CA GLY A 4 14.613 6.082 -6.124 1.00 0.00 C ATOM 32 C GLY A 4 14.882 7.400 -5.395 1.00 0.00 C ATOM 33 O GLY A 4 15.073 7.413 -4.180 1.00 0.00 O ATOM 0 H GLY A 4 16.206 5.337 -4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.647 6.245 -7.201 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.609 5.729 -5.886 1.00 0.00 H new ATOM 37 N SER A 5 14.889 8.476 -6.168 1.00 0.00 N ATOM 38 CA SER A 5 15.132 9.796 -5.611 1.00 0.00 C ATOM 39 C SER A 5 13.967 10.728 -5.948 1.00 0.00 C ATOM 40 O SER A 5 13.325 10.575 -6.986 1.00 0.00 O ATOM 41 CB SER A 5 16.447 10.380 -6.132 1.00 0.00 C ATOM 42 OG SER A 5 16.997 11.340 -5.234 1.00 0.00 O ATOM 0 H SER A 5 14.730 8.461 -7.175 1.00 0.00 H new ATOM 0 HA SER A 5 15.212 9.701 -4.528 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.165 9.575 -6.287 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.277 10.847 -7.102 1.00 0.00 H new ATOM 0 HG SER A 5 17.836 11.688 -5.601 1.00 0.00 H new ATOM 48 N SER A 6 13.729 11.674 -5.051 1.00 0.00 N ATOM 49 CA SER A 6 12.653 12.631 -5.240 1.00 0.00 C ATOM 50 C SER A 6 11.304 11.960 -4.974 1.00 0.00 C ATOM 51 O SER A 6 10.543 12.406 -4.116 1.00 0.00 O ATOM 52 CB SER A 6 12.683 13.223 -6.650 1.00 0.00 C ATOM 53 OG SER A 6 14.005 13.569 -7.056 1.00 0.00 O ATOM 0 H SER A 6 14.264 11.798 -4.191 1.00 0.00 H new ATOM 0 HA SER A 6 12.792 13.447 -4.531 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.264 12.504 -7.354 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.049 14.109 -6.685 1.00 0.00 H new ATOM 0 HG SER A 6 13.982 13.942 -7.962 1.00 0.00 H new ATOM 59 N GLY A 7 11.047 10.901 -5.727 1.00 0.00 N ATOM 60 CA GLY A 7 9.803 10.164 -5.584 1.00 0.00 C ATOM 61 C GLY A 7 9.479 9.917 -4.109 1.00 0.00 C ATOM 62 O GLY A 7 10.341 10.072 -3.246 1.00 0.00 O ATOM 0 H GLY A 7 11.680 10.535 -6.439 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.990 10.721 -6.050 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.878 9.211 -6.108 1.00 0.00 H new ATOM 66 N LEU A 8 8.233 9.536 -3.866 1.00 0.00 N ATOM 67 CA LEU A 8 7.785 9.265 -2.511 1.00 0.00 C ATOM 68 C LEU A 8 7.819 7.757 -2.258 1.00 0.00 C ATOM 69 O LEU A 8 7.071 7.003 -2.877 1.00 0.00 O ATOM 70 CB LEU A 8 6.414 9.899 -2.264 1.00 0.00 C ATOM 71 CG LEU A 8 6.136 10.359 -0.831 1.00 0.00 C ATOM 72 CD1 LEU A 8 4.833 11.156 -0.755 1.00 0.00 C ATOM 73 CD2 LEU A 8 6.140 9.173 0.136 1.00 0.00 C ATOM 0 H LEU A 8 7.520 9.409 -4.585 1.00 0.00 H new ATOM 0 HA LEU A 8 8.459 9.724 -1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.308 10.758 -2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.646 9.180 -2.549 1.00 0.00 H new ATOM 0 HG LEU A 8 6.941 11.027 -0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.659 11.471 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.906 12.034 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.004 10.531 -1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.940 9.527 1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.369 8.461 -0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.114 8.685 0.109 1.00 0.00 H new ATOM 85 N PRO A 9 8.720 7.351 -1.323 1.00 0.00 N ATOM 86 CA PRO A 9 8.862 5.946 -0.981 1.00 0.00 C ATOM 87 C PRO A 9 7.695 5.473 -0.112 1.00 0.00 C ATOM 88 O PRO A 9 7.168 6.236 0.695 1.00 0.00 O ATOM 89 CB PRO A 9 10.205 5.847 -0.276 1.00 0.00 C ATOM 90 CG PRO A 9 10.551 7.261 0.162 1.00 0.00 C ATOM 91 CD PRO A 9 9.623 8.216 -0.570 1.00 0.00 C ATOM 0 HA PRO A 9 8.837 5.295 -1.855 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.148 5.176 0.581 1.00 0.00 H new ATOM 0 HB3 PRO A 9 10.968 5.447 -0.944 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.433 7.366 1.241 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.592 7.488 -0.069 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.075 8.849 0.128 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.180 8.880 -1.232 1.00 0.00 H new ATOM 99 N ILE A 10 7.325 4.215 -0.308 1.00 0.00 N ATOM 100 CA ILE A 10 6.230 3.631 0.447 1.00 0.00 C ATOM 101 C ILE A 10 6.550 2.166 0.750 1.00 0.00 C ATOM 102 O ILE A 10 6.535 1.325 -0.148 1.00 0.00 O ATOM 103 CB ILE A 10 4.904 3.831 -0.290 1.00 0.00 C ATOM 104 CG1 ILE A 10 4.552 5.317 -0.391 1.00 0.00 C ATOM 105 CG2 ILE A 10 3.785 3.020 0.366 1.00 0.00 C ATOM 106 CD1 ILE A 10 3.380 5.538 -1.350 1.00 0.00 C ATOM 0 H ILE A 10 7.764 3.585 -0.979 1.00 0.00 H new ATOM 0 HA ILE A 10 6.115 4.138 1.405 1.00 0.00 H new ATOM 0 HB ILE A 10 5.018 3.457 -1.308 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.297 5.702 0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.420 5.878 -0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.853 3.180 -0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.041 1.961 0.343 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.662 3.341 1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.150 6.602 -1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.648 5.174 -2.342 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.507 4.996 -0.988 1.00 0.00 H new ATOM 118 N ILE A 11 6.832 1.905 2.018 1.00 0.00 N ATOM 119 CA ILE A 11 7.155 0.556 2.451 1.00 0.00 C ATOM 120 C ILE A 11 5.871 -0.163 2.867 1.00 0.00 C ATOM 121 O ILE A 11 4.938 0.464 3.366 1.00 0.00 O ATOM 122 CB ILE A 11 8.225 0.586 3.544 1.00 0.00 C ATOM 123 CG1 ILE A 11 9.467 1.346 3.075 1.00 0.00 C ATOM 124 CG2 ILE A 11 8.564 -0.829 4.019 1.00 0.00 C ATOM 125 CD1 ILE A 11 10.394 1.662 4.252 1.00 0.00 C ATOM 0 H ILE A 11 6.844 2.605 2.760 1.00 0.00 H new ATOM 0 HA ILE A 11 7.588 -0.014 1.629 1.00 0.00 H new ATOM 0 HB ILE A 11 7.822 1.125 4.401 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.003 0.752 2.335 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.167 2.272 2.585 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.327 -0.779 4.796 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.668 -1.302 4.420 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.939 -1.415 3.180 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.269 2.202 3.891 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.863 2.276 4.979 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.711 0.733 4.725 1.00 0.00 H new ATOM 137 N VAL A 12 5.863 -1.469 2.646 1.00 0.00 N ATOM 138 CA VAL A 12 4.709 -2.280 2.992 1.00 0.00 C ATOM 139 C VAL A 12 5.157 -3.452 3.868 1.00 0.00 C ATOM 140 O VAL A 12 6.210 -4.042 3.630 1.00 0.00 O ATOM 141 CB VAL A 12 3.983 -2.727 1.721 1.00 0.00 C ATOM 142 CG1 VAL A 12 2.538 -3.127 2.026 1.00 0.00 C ATOM 143 CG2 VAL A 12 4.036 -1.638 0.648 1.00 0.00 C ATOM 0 H VAL A 12 6.638 -1.986 2.231 1.00 0.00 H new ATOM 0 HA VAL A 12 3.993 -1.697 3.571 1.00 0.00 H new ATOM 0 HB VAL A 12 4.498 -3.606 1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.045 -3.440 1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.531 -3.951 2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.006 -2.275 2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.513 -1.981 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.558 -0.733 1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.075 -1.423 0.399 1.00 0.00 H new ATOM 153 N LYS A 13 4.336 -3.754 4.863 1.00 0.00 N ATOM 154 CA LYS A 13 4.635 -4.845 5.775 1.00 0.00 C ATOM 155 C LYS A 13 3.673 -6.004 5.510 1.00 0.00 C ATOM 156 O LYS A 13 2.493 -5.926 5.848 1.00 0.00 O ATOM 157 CB LYS A 13 4.620 -4.352 7.223 1.00 0.00 C ATOM 158 CG LYS A 13 5.953 -4.643 7.916 1.00 0.00 C ATOM 159 CD LYS A 13 5.729 -5.264 9.296 1.00 0.00 C ATOM 160 CE LYS A 13 5.555 -6.780 9.194 1.00 0.00 C ATOM 161 NZ LYS A 13 6.572 -7.476 10.013 1.00 0.00 N ATOM 0 H LYS A 13 3.464 -3.262 5.058 1.00 0.00 H new ATOM 0 HA LYS A 13 5.643 -5.221 5.601 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.422 -3.280 7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.810 -4.837 7.767 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.547 -5.319 7.301 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.524 -3.720 8.017 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.575 -5.034 9.944 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.845 -4.823 9.758 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.556 -7.060 9.529 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.642 -7.092 8.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.428 -8.504 9.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.522 -7.236 9.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.482 -7.178 11.005 1.00 0.00 H new ATOM 175 N TRP A 14 4.213 -7.054 4.907 1.00 0.00 N ATOM 176 CA TRP A 14 3.417 -8.228 4.593 1.00 0.00 C ATOM 177 C TRP A 14 3.928 -9.389 5.449 1.00 0.00 C ATOM 178 O TRP A 14 4.987 -9.949 5.171 1.00 0.00 O ATOM 179 CB TRP A 14 3.453 -8.529 3.093 1.00 0.00 C ATOM 180 CG TRP A 14 2.335 -9.461 2.619 1.00 0.00 C ATOM 181 CD1 TRP A 14 1.074 -9.530 3.066 1.00 0.00 C ATOM 182 CD2 TRP A 14 2.431 -10.458 1.580 1.00 0.00 C ATOM 183 NE1 TRP A 14 0.352 -10.496 2.394 1.00 0.00 N ATOM 184 CE2 TRP A 14 1.203 -11.078 1.462 1.00 0.00 C ATOM 185 CE3 TRP A 14 3.518 -10.825 0.768 1.00 0.00 C ATOM 186 CZ2 TRP A 14 0.947 -12.102 0.542 1.00 0.00 C ATOM 187 CZ3 TRP A 14 3.245 -11.849 -0.147 1.00 0.00 C ATOM 188 CH2 TRP A 14 2.015 -12.483 -0.278 1.00 0.00 C ATOM 0 H TRP A 14 5.192 -7.115 4.628 1.00 0.00 H new ATOM 0 HA TRP A 14 2.367 -8.057 4.830 1.00 0.00 H new ATOM 0 HB2 TRP A 14 3.388 -7.590 2.543 1.00 0.00 H new ATOM 0 HB3 TRP A 14 4.415 -8.977 2.846 1.00 0.00 H new ATOM 0 HD1 TRP A 14 0.673 -8.908 3.853 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -0.626 -10.738 2.552 1.00 0.00 H new ATOM 0 HE3 TRP A 14 4.487 -10.354 0.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -0.022 -12.572 0.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 4.046 -12.169 -0.797 1.00 0.00 H new ATOM 0 HH2 TRP A 14 1.884 -13.267 -1.010 1.00 0.00 H new ATOM 199 N GLY A 15 3.152 -9.715 6.472 1.00 0.00 N ATOM 200 CA GLY A 15 3.512 -10.799 7.369 1.00 0.00 C ATOM 201 C GLY A 15 4.874 -10.542 8.019 1.00 0.00 C ATOM 202 O GLY A 15 4.983 -9.736 8.943 1.00 0.00 O ATOM 0 H GLY A 15 2.275 -9.247 6.699 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.750 -10.905 8.141 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.540 -11.739 6.817 1.00 0.00 H new ATOM 206 N GLY A 16 5.877 -11.242 7.512 1.00 0.00 N ATOM 207 CA GLY A 16 7.227 -11.100 8.031 1.00 0.00 C ATOM 208 C GLY A 16 8.143 -10.432 7.004 1.00 0.00 C ATOM 209 O GLY A 16 9.296 -10.126 7.301 1.00 0.00 O ATOM 0 H GLY A 16 5.782 -11.910 6.747 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.208 -10.508 8.946 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.624 -12.080 8.294 1.00 0.00 H new ATOM 213 N GLN A 17 7.594 -10.227 5.815 1.00 0.00 N ATOM 214 CA GLN A 17 8.348 -9.601 4.742 1.00 0.00 C ATOM 215 C GLN A 17 7.951 -8.130 4.602 1.00 0.00 C ATOM 216 O GLN A 17 6.827 -7.753 4.929 1.00 0.00 O ATOM 217 CB GLN A 17 8.148 -10.351 3.423 1.00 0.00 C ATOM 218 CG GLN A 17 9.325 -11.287 3.141 1.00 0.00 C ATOM 219 CD GLN A 17 9.170 -11.968 1.779 1.00 0.00 C ATOM 220 OE1 GLN A 17 8.257 -12.742 1.544 1.00 0.00 O ATOM 221 NE2 GLN A 17 10.110 -11.637 0.899 1.00 0.00 N ATOM 0 H GLN A 17 6.637 -10.483 5.572 1.00 0.00 H new ATOM 0 HA GLN A 17 9.408 -9.648 4.993 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.223 -10.926 3.464 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.043 -9.637 2.606 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.257 -10.722 3.165 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.389 -12.042 3.924 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.847 -10.982 1.162 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.095 -12.038 -0.039 1.00 0.00 H new ATOM 230 N GLU A 18 8.896 -7.339 4.115 1.00 0.00 N ATOM 231 CA GLU A 18 8.659 -5.918 3.928 1.00 0.00 C ATOM 232 C GLU A 18 9.048 -5.497 2.510 1.00 0.00 C ATOM 233 O GLU A 18 10.137 -5.823 2.039 1.00 0.00 O ATOM 234 CB GLU A 18 9.415 -5.094 4.972 1.00 0.00 C ATOM 235 CG GLU A 18 8.764 -5.225 6.351 1.00 0.00 C ATOM 236 CD GLU A 18 9.824 -5.324 7.450 1.00 0.00 C ATOM 237 OE1 GLU A 18 10.575 -4.337 7.606 1.00 0.00 O ATOM 238 OE2 GLU A 18 9.859 -6.385 8.110 1.00 0.00 O ATOM 0 H GLU A 18 9.827 -7.655 3.844 1.00 0.00 H new ATOM 0 HA GLU A 18 7.595 -5.726 4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.452 -5.427 5.022 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.431 -4.046 4.672 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.121 -4.365 6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.127 -6.109 6.374 1.00 0.00 H new ATOM 245 N TYR A 19 8.138 -4.779 1.869 1.00 0.00 N ATOM 246 CA TYR A 19 8.373 -4.310 0.514 1.00 0.00 C ATOM 247 C TYR A 19 8.676 -2.811 0.497 1.00 0.00 C ATOM 248 O TYR A 19 8.159 -2.060 1.323 1.00 0.00 O ATOM 249 CB TYR A 19 7.072 -4.564 -0.252 1.00 0.00 C ATOM 250 CG TYR A 19 6.823 -6.036 -0.584 1.00 0.00 C ATOM 251 CD1 TYR A 19 6.486 -6.922 0.418 1.00 0.00 C ATOM 252 CD2 TYR A 19 6.935 -6.478 -1.887 1.00 0.00 C ATOM 253 CE1 TYR A 19 6.251 -8.308 0.105 1.00 0.00 C ATOM 254 CE2 TYR A 19 6.701 -7.864 -2.200 1.00 0.00 C ATOM 255 CZ TYR A 19 6.370 -8.710 -1.188 1.00 0.00 C ATOM 256 OH TYR A 19 6.148 -10.019 -1.484 1.00 0.00 O ATOM 0 H TYR A 19 7.236 -4.510 2.263 1.00 0.00 H new ATOM 0 HA TYR A 19 9.226 -4.825 0.072 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.236 -4.189 0.338 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.090 -3.991 -1.179 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.398 -6.576 1.437 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.198 -5.784 -2.672 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.986 -9.012 0.880 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.786 -8.223 -3.215 1.00 0.00 H new ATOM 0 HH TYR A 19 5.418 -10.361 -0.927 1.00 0.00 H new ATOM 266 N SER A 20 9.514 -2.419 -0.452 1.00 0.00 N ATOM 267 CA SER A 20 9.892 -1.023 -0.587 1.00 0.00 C ATOM 268 C SER A 20 9.411 -0.478 -1.933 1.00 0.00 C ATOM 269 O SER A 20 9.958 -0.826 -2.979 1.00 0.00 O ATOM 270 CB SER A 20 11.406 -0.847 -0.454 1.00 0.00 C ATOM 271 OG SER A 20 11.899 -1.377 0.774 1.00 0.00 O ATOM 0 H SER A 20 9.942 -3.044 -1.135 1.00 0.00 H new ATOM 0 HA SER A 20 9.416 -0.461 0.216 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.903 -1.342 -1.288 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.655 0.212 -0.518 1.00 0.00 H new ATOM 0 HG SER A 20 12.869 -1.247 0.820 1.00 0.00 H new ATOM 277 N VAL A 21 8.394 0.368 -1.864 1.00 0.00 N ATOM 278 CA VAL A 21 7.833 0.964 -3.064 1.00 0.00 C ATOM 279 C VAL A 21 8.546 2.287 -3.353 1.00 0.00 C ATOM 280 O VAL A 21 8.403 3.250 -2.601 1.00 0.00 O ATOM 281 CB VAL A 21 6.319 1.123 -2.911 1.00 0.00 C ATOM 282 CG1 VAL A 21 5.667 1.475 -4.250 1.00 0.00 C ATOM 283 CG2 VAL A 21 5.693 -0.138 -2.312 1.00 0.00 C ATOM 0 H VAL A 21 7.944 0.655 -0.995 1.00 0.00 H new ATOM 0 HA VAL A 21 7.993 0.313 -3.924 1.00 0.00 H new ATOM 0 HB VAL A 21 6.137 1.948 -2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.591 1.582 -4.114 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.081 2.413 -4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.864 0.681 -4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.616 0.002 -2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.891 -0.988 -2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.125 -0.327 -1.329 1.00 0.00 H new ATOM 293 N THR A 22 9.300 2.290 -4.442 1.00 0.00 N ATOM 294 CA THR A 22 10.036 3.478 -4.839 1.00 0.00 C ATOM 295 C THR A 22 9.947 3.680 -6.353 1.00 0.00 C ATOM 296 O THR A 22 10.927 4.061 -6.991 1.00 0.00 O ATOM 297 CB THR A 22 11.471 3.338 -4.328 1.00 0.00 C ATOM 298 OG1 THR A 22 11.914 2.099 -4.874 1.00 0.00 O ATOM 299 CG2 THR A 22 11.536 3.123 -2.815 1.00 0.00 C ATOM 0 H THR A 22 9.417 1.489 -5.062 1.00 0.00 H new ATOM 0 HA THR A 22 9.605 4.376 -4.397 1.00 0.00 H new ATOM 0 HB THR A 22 12.039 4.230 -4.592 1.00 0.00 H new ATOM 0 HG1 THR A 22 12.838 1.930 -4.594 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.577 3.030 -2.505 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.081 3.973 -2.307 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.997 2.213 -2.553 1.00 0.00 H new ATOM 307 N THR A 23 8.762 3.415 -6.885 1.00 0.00 N ATOM 308 CA THR A 23 8.533 3.562 -8.312 1.00 0.00 C ATOM 309 C THR A 23 7.554 4.708 -8.579 1.00 0.00 C ATOM 310 O THR A 23 7.786 5.534 -9.461 1.00 0.00 O ATOM 311 CB THR A 23 8.053 2.215 -8.855 1.00 0.00 C ATOM 312 OG1 THR A 23 9.235 1.421 -8.906 1.00 0.00 O ATOM 313 CG2 THR A 23 7.599 2.300 -10.314 1.00 0.00 C ATOM 0 H THR A 23 7.951 3.099 -6.353 1.00 0.00 H new ATOM 0 HA THR A 23 9.451 3.831 -8.834 1.00 0.00 H new ATOM 0 HB THR A 23 7.232 1.847 -8.240 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.015 0.529 -9.246 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.268 1.317 -10.650 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.775 3.008 -10.398 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.430 2.635 -10.935 1.00 0.00 H new ATOM 321 N LEU A 24 6.482 4.722 -7.801 1.00 0.00 N ATOM 322 CA LEU A 24 5.468 5.752 -7.942 1.00 0.00 C ATOM 323 C LEU A 24 5.761 6.888 -6.959 1.00 0.00 C ATOM 324 O LEU A 24 6.520 6.711 -6.008 1.00 0.00 O ATOM 325 CB LEU A 24 4.069 5.152 -7.789 1.00 0.00 C ATOM 326 CG LEU A 24 3.909 4.094 -6.695 1.00 0.00 C ATOM 327 CD1 LEU A 24 2.556 4.231 -5.994 1.00 0.00 C ATOM 328 CD2 LEU A 24 4.124 2.688 -7.256 1.00 0.00 C ATOM 0 H LEU A 24 6.294 4.036 -7.070 1.00 0.00 H new ATOM 0 HA LEU A 24 5.498 6.181 -8.944 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.368 5.962 -7.589 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.780 4.708 -8.741 1.00 0.00 H new ATOM 0 HG LEU A 24 4.680 4.261 -5.943 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.468 3.467 -5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.480 5.219 -5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.755 4.105 -6.722 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.005 1.956 -6.458 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.392 2.493 -8.040 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.129 2.612 -7.671 1.00 0.00 H new ATOM 340 N SER A 25 5.143 8.030 -7.223 1.00 0.00 N ATOM 341 CA SER A 25 5.328 9.195 -6.374 1.00 0.00 C ATOM 342 C SER A 25 3.970 9.718 -5.901 1.00 0.00 C ATOM 343 O SER A 25 2.928 9.258 -6.365 1.00 0.00 O ATOM 344 CB SER A 25 6.095 10.296 -7.109 1.00 0.00 C ATOM 345 OG SER A 25 7.253 9.791 -7.768 1.00 0.00 O ATOM 0 H SER A 25 4.514 8.173 -8.013 1.00 0.00 H new ATOM 0 HA SER A 25 5.917 8.897 -5.507 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.439 10.769 -7.840 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.390 11.068 -6.399 1.00 0.00 H new ATOM 0 HG SER A 25 7.714 10.524 -8.227 1.00 0.00 H new ATOM 351 N GLU A 26 4.027 10.673 -4.984 1.00 0.00 N ATOM 352 CA GLU A 26 2.815 11.264 -4.444 1.00 0.00 C ATOM 353 C GLU A 26 1.813 11.542 -5.566 1.00 0.00 C ATOM 354 O GLU A 26 0.604 11.523 -5.343 1.00 0.00 O ATOM 355 CB GLU A 26 3.129 12.541 -3.661 1.00 0.00 C ATOM 356 CG GLU A 26 3.405 13.710 -4.608 1.00 0.00 C ATOM 357 CD GLU A 26 3.773 14.974 -3.826 1.00 0.00 C ATOM 358 OE1 GLU A 26 4.905 15.004 -3.297 1.00 0.00 O ATOM 359 OE2 GLU A 26 2.913 15.880 -3.776 1.00 0.00 O ATOM 0 H GLU A 26 4.893 11.052 -4.602 1.00 0.00 H new ATOM 0 HA GLU A 26 2.366 10.553 -3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.291 12.787 -3.008 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.995 12.375 -3.020 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.217 13.449 -5.287 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.525 13.901 -5.222 1.00 0.00 H new ATOM 366 N ASP A 27 2.354 11.795 -6.749 1.00 0.00 N ATOM 367 CA ASP A 27 1.523 12.076 -7.908 1.00 0.00 C ATOM 368 C ASP A 27 0.542 10.922 -8.119 1.00 0.00 C ATOM 369 O ASP A 27 -0.672 11.123 -8.109 1.00 0.00 O ATOM 370 CB ASP A 27 2.371 12.214 -9.174 1.00 0.00 C ATOM 371 CG ASP A 27 2.237 13.555 -9.899 1.00 0.00 C ATOM 372 OD1 ASP A 27 2.816 14.537 -9.388 1.00 0.00 O ATOM 373 OD2 ASP A 27 1.557 13.567 -10.948 1.00 0.00 O ATOM 0 H ASP A 27 3.358 11.811 -6.930 1.00 0.00 H new ATOM 0 HA ASP A 27 0.995 13.012 -7.725 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.418 12.064 -8.910 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.099 11.416 -9.865 1.00 0.00 H new ATOM 378 N ASP A 28 1.104 9.736 -8.305 1.00 0.00 N ATOM 379 CA ASP A 28 0.294 8.549 -8.519 1.00 0.00 C ATOM 380 C ASP A 28 -0.808 8.491 -7.458 1.00 0.00 C ATOM 381 O ASP A 28 -0.816 9.289 -6.523 1.00 0.00 O ATOM 382 CB ASP A 28 1.137 7.278 -8.395 1.00 0.00 C ATOM 383 CG ASP A 28 2.041 6.983 -9.593 1.00 0.00 C ATOM 384 OD1 ASP A 28 2.863 7.867 -9.915 1.00 0.00 O ATOM 385 OD2 ASP A 28 1.890 5.879 -10.160 1.00 0.00 O ATOM 0 H ASP A 28 2.111 9.572 -8.312 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.129 8.605 -9.522 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.757 7.357 -7.502 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.469 6.430 -8.246 1.00 0.00 H new ATOM 390 N THR A 29 -1.710 7.539 -7.640 1.00 0.00 N ATOM 391 CA THR A 29 -2.814 7.366 -6.711 1.00 0.00 C ATOM 392 C THR A 29 -2.719 6.006 -6.017 1.00 0.00 C ATOM 393 O THR A 29 -1.918 5.159 -6.409 1.00 0.00 O ATOM 394 CB THR A 29 -4.119 7.563 -7.485 1.00 0.00 C ATOM 395 OG1 THR A 29 -3.982 6.710 -8.619 1.00 0.00 O ATOM 396 CG2 THR A 29 -4.238 8.965 -8.086 1.00 0.00 C ATOM 0 H THR A 29 -1.699 6.879 -8.417 1.00 0.00 H new ATOM 0 HA THR A 29 -2.778 8.107 -5.912 1.00 0.00 H new ATOM 0 HB THR A 29 -4.965 7.379 -6.823 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.786 6.774 -9.176 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.182 9.051 -8.624 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.206 9.707 -7.288 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.411 9.137 -8.774 1.00 0.00 H new ATOM 404 N VAL A 30 -3.547 5.840 -4.996 1.00 0.00 N ATOM 405 CA VAL A 30 -3.567 4.597 -4.243 1.00 0.00 C ATOM 406 C VAL A 30 -3.634 3.418 -5.215 1.00 0.00 C ATOM 407 O VAL A 30 -2.805 2.511 -5.156 1.00 0.00 O ATOM 408 CB VAL A 30 -4.721 4.612 -3.239 1.00 0.00 C ATOM 409 CG1 VAL A 30 -4.904 3.236 -2.594 1.00 0.00 C ATOM 410 CG2 VAL A 30 -4.510 5.692 -2.177 1.00 0.00 C ATOM 0 H VAL A 30 -4.209 6.545 -4.672 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.651 4.487 -3.662 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.635 4.852 -3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.731 3.274 -1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.122 2.498 -3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.990 2.955 -2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.345 5.681 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.582 5.497 -1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.453 6.669 -2.658 1.00 0.00 H new ATOM 420 N LEU A 31 -4.630 3.468 -6.088 1.00 0.00 N ATOM 421 CA LEU A 31 -4.817 2.414 -7.071 1.00 0.00 C ATOM 422 C LEU A 31 -3.454 1.982 -7.614 1.00 0.00 C ATOM 423 O LEU A 31 -3.059 0.827 -7.461 1.00 0.00 O ATOM 424 CB LEU A 31 -5.797 2.863 -8.157 1.00 0.00 C ATOM 425 CG LEU A 31 -6.223 1.790 -9.162 1.00 0.00 C ATOM 426 CD1 LEU A 31 -7.299 0.879 -8.568 1.00 0.00 C ATOM 427 CD2 LEU A 31 -6.670 2.422 -10.481 1.00 0.00 C ATOM 0 H LEU A 31 -5.316 4.222 -6.135 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.269 1.537 -6.608 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.692 3.254 -7.672 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.346 3.689 -8.707 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.358 1.164 -9.382 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.584 0.126 -9.302 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.908 0.388 -7.677 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.172 1.474 -8.301 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.967 1.638 -11.178 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.515 3.085 -10.299 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.846 2.994 -10.908 1.00 0.00 H new ATOM 439 N ASP A 32 -2.772 2.932 -8.237 1.00 0.00 N ATOM 440 CA ASP A 32 -1.462 2.663 -8.804 1.00 0.00 C ATOM 441 C ASP A 32 -0.671 1.769 -7.847 1.00 0.00 C ATOM 442 O ASP A 32 -0.277 0.662 -8.209 1.00 0.00 O ATOM 443 CB ASP A 32 -0.672 3.958 -9.003 1.00 0.00 C ATOM 444 CG ASP A 32 -1.247 4.912 -10.051 1.00 0.00 C ATOM 445 OD1 ASP A 32 -2.492 4.958 -10.155 1.00 0.00 O ATOM 446 OD2 ASP A 32 -0.429 5.575 -10.726 1.00 0.00 O ATOM 0 H ASP A 32 -3.102 3.889 -8.361 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.605 2.176 -9.769 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.616 4.482 -8.049 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.349 3.703 -9.287 1.00 0.00 H new ATOM 451 N LEU A 33 -0.462 2.283 -6.644 1.00 0.00 N ATOM 452 CA LEU A 33 0.275 1.545 -5.632 1.00 0.00 C ATOM 453 C LEU A 33 -0.214 0.096 -5.607 1.00 0.00 C ATOM 454 O LEU A 33 0.581 -0.834 -5.742 1.00 0.00 O ATOM 455 CB LEU A 33 0.179 2.250 -4.278 1.00 0.00 C ATOM 456 CG LEU A 33 1.145 1.761 -3.197 1.00 0.00 C ATOM 457 CD1 LEU A 33 2.505 2.450 -3.324 1.00 0.00 C ATOM 458 CD2 LEU A 33 0.541 1.938 -1.802 1.00 0.00 C ATOM 0 H LEU A 33 -0.790 3.202 -6.347 1.00 0.00 H new ATOM 0 HA LEU A 33 1.337 1.519 -5.877 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.348 3.316 -4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.839 2.139 -3.905 1.00 0.00 H new ATOM 0 HG LEU A 33 1.310 0.694 -3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.172 2.084 -2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.934 2.230 -4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.378 3.527 -3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.248 1.583 -1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.328 2.993 -1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.383 1.365 -1.730 1.00 0.00 H new ATOM 470 N LYS A 34 -1.519 -0.052 -5.434 1.00 0.00 N ATOM 471 CA LYS A 34 -2.123 -1.372 -5.389 1.00 0.00 C ATOM 472 C LYS A 34 -1.771 -2.133 -6.669 1.00 0.00 C ATOM 473 O LYS A 34 -1.076 -3.147 -6.621 1.00 0.00 O ATOM 474 CB LYS A 34 -3.628 -1.265 -5.132 1.00 0.00 C ATOM 475 CG LYS A 34 -3.908 -0.768 -3.713 1.00 0.00 C ATOM 476 CD LYS A 34 -5.380 -0.386 -3.545 1.00 0.00 C ATOM 477 CE LYS A 34 -5.927 -0.888 -2.208 1.00 0.00 C ATOM 478 NZ LYS A 34 -7.403 -0.994 -2.259 1.00 0.00 N ATOM 0 H LYS A 34 -2.175 0.721 -5.323 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.721 -1.946 -4.555 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.076 -0.583 -5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.096 -2.238 -5.279 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.646 -1.544 -2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.278 0.094 -3.495 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.487 0.697 -3.602 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.965 -0.808 -4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.494 -1.861 -1.973 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.633 -0.207 -1.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.758 -1.336 -1.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.811 -0.059 -2.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.677 -1.661 -3.008 1.00 0.00 H new ATOM 492 N GLN A 35 -2.266 -1.614 -7.783 1.00 0.00 N ATOM 493 CA GLN A 35 -2.012 -2.232 -9.074 1.00 0.00 C ATOM 494 C GLN A 35 -0.558 -2.702 -9.160 1.00 0.00 C ATOM 495 O GLN A 35 -0.272 -3.738 -9.758 1.00 0.00 O ATOM 496 CB GLN A 35 -2.347 -1.272 -10.217 1.00 0.00 C ATOM 497 CG GLN A 35 -3.852 -1.251 -10.492 1.00 0.00 C ATOM 498 CD GLN A 35 -4.135 -1.006 -11.975 1.00 0.00 C ATOM 499 OE1 GLN A 35 -3.239 -0.926 -12.799 1.00 0.00 O ATOM 500 NE2 GLN A 35 -5.427 -0.894 -12.268 1.00 0.00 N ATOM 0 H GLN A 35 -2.842 -0.773 -7.819 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.661 -3.102 -9.173 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.006 -0.268 -9.965 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.813 -1.574 -11.118 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.295 -2.199 -10.185 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.324 -0.471 -9.894 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.126 -0.971 -11.529 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.719 -0.731 -13.232 1.00 0.00 H new ATOM 509 N PHE A 36 0.321 -1.917 -8.555 1.00 0.00 N ATOM 510 CA PHE A 36 1.738 -2.240 -8.557 1.00 0.00 C ATOM 511 C PHE A 36 2.057 -3.309 -7.510 1.00 0.00 C ATOM 512 O PHE A 36 2.823 -4.234 -7.777 1.00 0.00 O ATOM 513 CB PHE A 36 2.489 -0.955 -8.201 1.00 0.00 C ATOM 514 CG PHE A 36 4.002 -1.040 -8.415 1.00 0.00 C ATOM 515 CD1 PHE A 36 4.498 -1.391 -9.632 1.00 0.00 C ATOM 516 CD2 PHE A 36 4.850 -0.764 -7.389 1.00 0.00 C ATOM 517 CE1 PHE A 36 5.902 -1.470 -9.831 1.00 0.00 C ATOM 518 CE2 PHE A 36 6.254 -0.843 -7.588 1.00 0.00 C ATOM 519 CZ PHE A 36 6.750 -1.194 -8.804 1.00 0.00 C ATOM 0 H PHE A 36 0.080 -1.058 -8.060 1.00 0.00 H new ATOM 0 HA PHE A 36 2.031 -2.626 -9.533 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.093 -0.136 -8.802 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.293 -0.709 -7.157 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.824 -1.610 -10.447 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.456 -0.485 -6.423 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.296 -1.749 -10.797 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.928 -0.624 -6.773 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.818 -1.254 -8.955 1.00 0.00 H new ATOM 529 N LEU A 37 1.455 -3.147 -6.342 1.00 0.00 N ATOM 530 CA LEU A 37 1.665 -4.088 -5.254 1.00 0.00 C ATOM 531 C LEU A 37 1.170 -5.471 -5.679 1.00 0.00 C ATOM 532 O LEU A 37 1.552 -6.480 -5.087 1.00 0.00 O ATOM 533 CB LEU A 37 1.020 -3.572 -3.967 1.00 0.00 C ATOM 534 CG LEU A 37 1.599 -2.274 -3.399 1.00 0.00 C ATOM 535 CD1 LEU A 37 0.524 -1.467 -2.669 1.00 0.00 C ATOM 536 CD2 LEU A 37 2.808 -2.559 -2.505 1.00 0.00 C ATOM 0 H LEU A 37 0.821 -2.378 -6.124 1.00 0.00 H new ATOM 0 HA LEU A 37 2.728 -4.184 -5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.044 -3.421 -4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.104 -4.348 -3.206 1.00 0.00 H new ATOM 0 HG LEU A 37 1.950 -1.663 -4.231 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.962 -0.550 -2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.278 -1.217 -3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.121 -2.058 -1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.201 -1.620 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.505 -3.199 -1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.581 -3.061 -3.087 1.00 0.00 H new ATOM 548 N LYS A 38 0.327 -5.475 -6.701 1.00 0.00 N ATOM 549 CA LYS A 38 -0.225 -6.718 -7.212 1.00 0.00 C ATOM 550 C LYS A 38 0.890 -7.533 -7.870 1.00 0.00 C ATOM 551 O LYS A 38 0.808 -8.759 -7.942 1.00 0.00 O ATOM 552 CB LYS A 38 -1.411 -6.438 -8.137 1.00 0.00 C ATOM 553 CG LYS A 38 -1.933 -7.731 -8.766 1.00 0.00 C ATOM 554 CD LYS A 38 -3.102 -7.448 -9.712 1.00 0.00 C ATOM 555 CE LYS A 38 -2.705 -7.704 -11.167 1.00 0.00 C ATOM 556 NZ LYS A 38 -3.483 -6.835 -12.077 1.00 0.00 N ATOM 0 H LYS A 38 0.013 -4.636 -7.189 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.623 -7.322 -6.397 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.210 -5.955 -7.574 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.109 -5.744 -8.921 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.129 -8.224 -9.313 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.253 -8.418 -7.982 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.950 -8.079 -9.446 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.426 -6.414 -9.596 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.639 -7.516 -11.298 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.877 -8.751 -11.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.201 -7.022 -13.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.498 -7.034 -11.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.298 -5.838 -11.847 1.00 0.00 H new ATOM 570 N THR A 39 1.905 -6.820 -8.335 1.00 0.00 N ATOM 571 CA THR A 39 3.034 -7.462 -8.986 1.00 0.00 C ATOM 572 C THR A 39 4.178 -7.665 -7.990 1.00 0.00 C ATOM 573 O THR A 39 5.131 -8.390 -8.273 1.00 0.00 O ATOM 574 CB THR A 39 3.427 -6.614 -10.197 1.00 0.00 C ATOM 575 OG1 THR A 39 3.965 -7.556 -11.121 1.00 0.00 O ATOM 576 CG2 THR A 39 4.596 -5.674 -9.900 1.00 0.00 C ATOM 0 H THR A 39 1.969 -5.804 -8.274 1.00 0.00 H new ATOM 0 HA THR A 39 2.772 -8.459 -9.341 1.00 0.00 H new ATOM 0 HB THR A 39 2.567 -6.030 -10.525 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.244 -7.091 -11.937 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.834 -5.096 -10.793 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.322 -4.996 -9.091 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.467 -6.259 -9.604 1.00 0.00 H new ATOM 584 N LEU A 40 4.046 -7.012 -6.845 1.00 0.00 N ATOM 585 CA LEU A 40 5.057 -7.112 -5.806 1.00 0.00 C ATOM 586 C LEU A 40 4.780 -8.348 -4.947 1.00 0.00 C ATOM 587 O LEU A 40 5.637 -9.219 -4.812 1.00 0.00 O ATOM 588 CB LEU A 40 5.132 -5.811 -5.004 1.00 0.00 C ATOM 589 CG LEU A 40 5.773 -4.619 -5.718 1.00 0.00 C ATOM 590 CD1 LEU A 40 5.561 -3.327 -4.927 1.00 0.00 C ATOM 591 CD2 LEU A 40 7.254 -4.882 -6.000 1.00 0.00 C ATOM 0 H LEU A 40 3.254 -6.412 -6.614 1.00 0.00 H new ATOM 0 HA LEU A 40 6.044 -7.245 -6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.121 -5.531 -4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.690 -6.004 -4.088 1.00 0.00 H new ATOM 0 HG LEU A 40 5.279 -4.491 -6.681 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.026 -2.496 -5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.493 -3.137 -4.820 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.012 -3.427 -3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.686 -4.020 -6.508 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.779 -5.050 -5.060 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.353 -5.764 -6.633 1.00 0.00 H new ATOM 603 N THR A 41 3.578 -8.384 -4.390 1.00 0.00 N ATOM 604 CA THR A 41 3.177 -9.499 -3.549 1.00 0.00 C ATOM 605 C THR A 41 2.576 -10.620 -4.399 1.00 0.00 C ATOM 606 O THR A 41 2.624 -11.788 -4.017 1.00 0.00 O ATOM 607 CB THR A 41 2.219 -8.965 -2.482 1.00 0.00 C ATOM 608 OG1 THR A 41 1.337 -8.110 -3.204 1.00 0.00 O ATOM 609 CG2 THR A 41 2.912 -8.032 -1.487 1.00 0.00 C ATOM 0 H THR A 41 2.869 -7.659 -4.505 1.00 0.00 H new ATOM 0 HA THR A 41 4.035 -9.942 -3.044 1.00 0.00 H new ATOM 0 HB THR A 41 1.772 -9.801 -1.944 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.791 -7.596 -2.573 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.188 -7.682 -0.752 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.712 -8.571 -0.980 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.330 -7.178 -2.020 1.00 0.00 H new ATOM 617 N GLY A 42 2.024 -10.225 -5.537 1.00 0.00 N ATOM 618 CA GLY A 42 1.414 -11.181 -6.445 1.00 0.00 C ATOM 619 C GLY A 42 -0.037 -11.463 -6.050 1.00 0.00 C ATOM 620 O GLY A 42 -0.599 -12.490 -6.429 1.00 0.00 O ATOM 0 H GLY A 42 1.987 -9.255 -5.851 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.449 -10.794 -7.463 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.984 -12.110 -6.437 1.00 0.00 H new ATOM 624 N VAL A 43 -0.603 -10.534 -5.294 1.00 0.00 N ATOM 625 CA VAL A 43 -1.978 -10.669 -4.845 1.00 0.00 C ATOM 626 C VAL A 43 -2.829 -9.569 -5.481 1.00 0.00 C ATOM 627 O VAL A 43 -2.369 -8.440 -5.644 1.00 0.00 O ATOM 628 CB VAL A 43 -2.032 -10.658 -3.316 1.00 0.00 C ATOM 629 CG1 VAL A 43 -3.478 -10.631 -2.818 1.00 0.00 C ATOM 630 CG2 VAL A 43 -1.273 -11.851 -2.731 1.00 0.00 C ATOM 0 H VAL A 43 -0.134 -9.684 -4.981 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.392 -11.625 -5.165 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.542 -9.748 -2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.487 -10.624 -1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.975 -9.735 -3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.004 -11.515 -3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.327 -11.819 -1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.720 -12.778 -3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.230 -11.807 -3.044 1.00 0.00 H new ATOM 640 N LEU A 44 -4.055 -9.936 -5.823 1.00 0.00 N ATOM 641 CA LEU A 44 -4.975 -8.994 -6.438 1.00 0.00 C ATOM 642 C LEU A 44 -5.102 -7.757 -5.547 1.00 0.00 C ATOM 643 O LEU A 44 -4.851 -7.825 -4.345 1.00 0.00 O ATOM 644 CB LEU A 44 -6.312 -9.672 -6.744 1.00 0.00 C ATOM 645 CG LEU A 44 -6.235 -10.981 -7.533 1.00 0.00 C ATOM 646 CD1 LEU A 44 -7.626 -11.590 -7.722 1.00 0.00 C ATOM 647 CD2 LEU A 44 -5.513 -10.776 -8.866 1.00 0.00 C ATOM 0 H LEU A 44 -4.433 -10.873 -5.686 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.588 -8.657 -7.400 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.821 -9.869 -5.801 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.933 -8.971 -7.301 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.647 -11.694 -6.955 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.543 -12.519 -8.286 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.069 -11.795 -6.747 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.259 -10.890 -8.268 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.472 -11.722 -9.407 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.052 -10.040 -9.462 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.500 -10.420 -8.680 1.00 0.00 H new ATOM 659 N PRO A 45 -5.503 -6.626 -6.187 1.00 0.00 N ATOM 660 CA PRO A 45 -5.668 -5.376 -5.466 1.00 0.00 C ATOM 661 C PRO A 45 -6.944 -5.393 -4.623 1.00 0.00 C ATOM 662 O PRO A 45 -6.922 -5.025 -3.449 1.00 0.00 O ATOM 663 CB PRO A 45 -5.679 -4.300 -6.540 1.00 0.00 C ATOM 664 CG PRO A 45 -5.988 -5.018 -7.844 1.00 0.00 C ATOM 665 CD PRO A 45 -5.810 -6.509 -7.610 1.00 0.00 C ATOM 0 HA PRO A 45 -4.867 -5.196 -4.749 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.430 -3.540 -6.325 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.717 -3.791 -6.593 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.006 -4.801 -8.167 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.323 -4.674 -8.636 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.714 -7.061 -7.867 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.005 -6.913 -8.224 1.00 0.00 H new ATOM 673 N GLU A 46 -8.026 -5.823 -5.254 1.00 0.00 N ATOM 674 CA GLU A 46 -9.310 -5.893 -4.577 1.00 0.00 C ATOM 675 C GLU A 46 -9.202 -6.762 -3.322 1.00 0.00 C ATOM 676 O GLU A 46 -10.004 -6.629 -2.399 1.00 0.00 O ATOM 677 CB GLU A 46 -10.398 -6.419 -5.515 1.00 0.00 C ATOM 678 CG GLU A 46 -10.134 -7.877 -5.898 1.00 0.00 C ATOM 679 CD GLU A 46 -11.179 -8.379 -6.896 1.00 0.00 C ATOM 680 OE1 GLU A 46 -12.243 -8.834 -6.423 1.00 0.00 O ATOM 681 OE2 GLU A 46 -10.891 -8.296 -8.110 1.00 0.00 O ATOM 0 H GLU A 46 -8.040 -6.127 -6.228 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.594 -4.885 -4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.371 -6.337 -5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.436 -5.804 -6.414 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.138 -7.968 -6.332 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.151 -8.500 -5.004 1.00 0.00 H new ATOM 688 N ARG A 47 -8.203 -7.632 -3.328 1.00 0.00 N ATOM 689 CA ARG A 47 -7.979 -8.523 -2.202 1.00 0.00 C ATOM 690 C ARG A 47 -6.976 -7.903 -1.226 1.00 0.00 C ATOM 691 O ARG A 47 -7.129 -8.027 -0.012 1.00 0.00 O ATOM 692 CB ARG A 47 -7.453 -9.881 -2.670 1.00 0.00 C ATOM 693 CG ARG A 47 -8.552 -10.684 -3.368 1.00 0.00 C ATOM 694 CD ARG A 47 -8.892 -11.949 -2.578 1.00 0.00 C ATOM 695 NE ARG A 47 -9.931 -11.651 -1.568 1.00 0.00 N ATOM 696 CZ ARG A 47 -10.225 -12.450 -0.533 1.00 0.00 C ATOM 697 NH1 ARG A 47 -9.560 -13.601 -0.366 1.00 0.00 N ATOM 698 NH2 ARG A 47 -11.183 -12.098 0.335 1.00 0.00 N ATOM 0 H ARG A 47 -7.539 -7.739 -4.095 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.935 -8.671 -1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.615 -9.735 -3.352 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.074 -10.442 -1.816 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.445 -10.068 -3.477 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.227 -10.955 -4.373 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.244 -12.727 -3.255 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.997 -12.334 -2.089 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.457 -10.782 -1.666 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.830 -13.869 -1.026 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.783 -14.209 0.422 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.689 -11.221 0.208 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.406 -12.707 1.123 1.00 0.00 H new ATOM 712 N GLN A 48 -5.973 -7.250 -1.794 1.00 0.00 N ATOM 713 CA GLN A 48 -4.946 -6.611 -0.990 1.00 0.00 C ATOM 714 C GLN A 48 -5.569 -5.557 -0.072 1.00 0.00 C ATOM 715 O GLN A 48 -6.322 -4.699 -0.529 1.00 0.00 O ATOM 716 CB GLN A 48 -3.861 -5.995 -1.875 1.00 0.00 C ATOM 717 CG GLN A 48 -2.776 -7.021 -2.207 1.00 0.00 C ATOM 718 CD GLN A 48 -1.522 -6.336 -2.755 1.00 0.00 C ATOM 719 OE1 GLN A 48 -0.463 -6.346 -2.149 1.00 0.00 O ATOM 720 NE2 GLN A 48 -1.700 -5.741 -3.931 1.00 0.00 N ATOM 0 H GLN A 48 -5.850 -7.150 -2.802 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.473 -7.372 -0.369 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.307 -5.621 -2.797 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.415 -5.140 -1.367 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.522 -7.590 -1.312 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.156 -7.733 -2.940 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.613 -5.771 -4.384 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.923 -5.255 -4.379 1.00 0.00 H new ATOM 729 N LYS A 49 -5.232 -5.657 1.205 1.00 0.00 N ATOM 730 CA LYS A 49 -5.749 -4.724 2.191 1.00 0.00 C ATOM 731 C LYS A 49 -4.587 -3.933 2.797 1.00 0.00 C ATOM 732 O LYS A 49 -3.530 -4.494 3.078 1.00 0.00 O ATOM 733 CB LYS A 49 -6.601 -5.457 3.229 1.00 0.00 C ATOM 734 CG LYS A 49 -8.039 -4.935 3.226 1.00 0.00 C ATOM 735 CD LYS A 49 -8.191 -3.743 4.173 1.00 0.00 C ATOM 736 CE LYS A 49 -8.005 -2.421 3.425 1.00 0.00 C ATOM 737 NZ LYS A 49 -9.303 -1.725 3.273 1.00 0.00 N ATOM 0 H LYS A 49 -4.607 -6.370 1.580 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.415 -4.002 1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.598 -6.526 3.017 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.165 -5.327 4.220 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.320 -4.639 2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.720 -5.732 3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.177 -3.766 4.638 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.458 -3.817 4.976 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.306 -1.785 3.967 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.569 -2.610 2.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.159 -0.830 2.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.959 -2.327 2.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.703 -1.528 4.212 1.00 0.00 H new ATOM 751 N LEU A 50 -4.824 -2.642 2.980 1.00 0.00 N ATOM 752 CA LEU A 50 -3.811 -1.768 3.547 1.00 0.00 C ATOM 753 C LEU A 50 -4.161 -1.468 5.005 1.00 0.00 C ATOM 754 O LEU A 50 -5.162 -0.810 5.284 1.00 0.00 O ATOM 755 CB LEU A 50 -3.640 -0.516 2.685 1.00 0.00 C ATOM 756 CG LEU A 50 -3.323 -0.757 1.207 1.00 0.00 C ATOM 757 CD1 LEU A 50 -2.904 0.543 0.518 1.00 0.00 C ATOM 758 CD2 LEU A 50 -2.273 -1.857 1.044 1.00 0.00 C ATOM 0 H LEU A 50 -5.703 -2.180 2.746 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.839 -2.261 3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.555 0.072 2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.841 0.090 3.113 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.231 -1.104 0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.684 0.344 -0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.714 1.269 0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.015 0.943 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.066 -2.008 -0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.356 -1.563 1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.648 -2.785 1.477 1.00 0.00 H new ATOM 770 N LEU A 51 -3.317 -1.965 5.898 1.00 0.00 N ATOM 771 CA LEU A 51 -3.524 -1.758 7.321 1.00 0.00 C ATOM 772 C LEU A 51 -2.525 -0.718 7.832 1.00 0.00 C ATOM 773 O LEU A 51 -1.321 -0.849 7.612 1.00 0.00 O ATOM 774 CB LEU A 51 -3.464 -3.090 8.070 1.00 0.00 C ATOM 775 CG LEU A 51 -4.734 -3.496 8.820 1.00 0.00 C ATOM 776 CD1 LEU A 51 -5.668 -4.305 7.918 1.00 0.00 C ATOM 777 CD2 LEU A 51 -4.393 -4.245 10.110 1.00 0.00 C ATOM 0 H LEU A 51 -2.488 -2.511 5.663 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.521 -1.359 7.507 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.222 -3.876 7.354 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.642 -3.045 8.785 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.267 -2.589 9.105 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.563 -4.581 8.475 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.950 -3.704 7.054 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.157 -5.207 7.582 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.313 -4.522 10.624 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.827 -5.145 9.869 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.796 -3.602 10.757 1.00 0.00 H new ATOM 789 N GLY A 52 -3.060 0.290 8.504 1.00 0.00 N ATOM 790 CA GLY A 52 -2.229 1.351 9.048 1.00 0.00 C ATOM 791 C GLY A 52 -2.983 2.683 9.065 1.00 0.00 C ATOM 792 O GLY A 52 -3.510 3.089 10.099 1.00 0.00 O ATOM 0 H GLY A 52 -4.058 0.395 8.684 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.918 1.092 10.060 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.322 1.450 8.451 1.00 0.00 H new ATOM 796 N LEU A 53 -3.009 3.326 7.907 1.00 0.00 N ATOM 797 CA LEU A 53 -3.689 4.604 7.775 1.00 0.00 C ATOM 798 C LEU A 53 -5.049 4.386 7.111 1.00 0.00 C ATOM 799 O LEU A 53 -5.137 3.752 6.060 1.00 0.00 O ATOM 800 CB LEU A 53 -2.800 5.610 7.042 1.00 0.00 C ATOM 801 CG LEU A 53 -1.361 5.727 7.547 1.00 0.00 C ATOM 802 CD1 LEU A 53 -0.361 5.412 6.433 1.00 0.00 C ATOM 803 CD2 LEU A 53 -1.108 7.101 8.172 1.00 0.00 C ATOM 0 H LEU A 53 -2.570 2.986 7.051 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.879 5.038 8.756 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.773 5.339 5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.268 6.592 7.107 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.214 4.985 8.331 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.654 5.503 6.819 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.524 4.395 6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.500 6.113 5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.077 7.157 8.523 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.280 7.877 7.426 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.786 7.249 9.013 1.00 0.00 H new ATOM 815 N LYS A 54 -6.077 4.924 7.750 1.00 0.00 N ATOM 816 CA LYS A 54 -7.430 4.797 7.234 1.00 0.00 C ATOM 817 C LYS A 54 -8.153 6.138 7.375 1.00 0.00 C ATOM 818 O LYS A 54 -7.633 7.066 7.994 1.00 0.00 O ATOM 819 CB LYS A 54 -8.155 3.633 7.913 1.00 0.00 C ATOM 820 CG LYS A 54 -7.593 2.289 7.445 1.00 0.00 C ATOM 821 CD LYS A 54 -7.558 1.279 8.593 1.00 0.00 C ATOM 822 CE LYS A 54 -7.029 -0.075 8.117 1.00 0.00 C ATOM 823 NZ LYS A 54 -7.963 -1.158 8.495 1.00 0.00 N ATOM 0 H LYS A 54 -6.001 5.449 8.621 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.411 4.555 6.171 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.052 3.717 8.995 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.221 3.683 7.689 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.204 1.899 6.631 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.587 2.430 7.049 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.926 1.658 9.396 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.560 1.157 9.006 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.898 -0.061 7.035 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.048 -0.263 8.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.589 -2.070 8.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.067 -1.181 9.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.890 -0.985 8.057 1.00 0.00 H new ATOM 837 N VAL A 55 -9.340 6.198 6.791 1.00 0.00 N ATOM 838 CA VAL A 55 -10.140 7.410 6.843 1.00 0.00 C ATOM 839 C VAL A 55 -11.555 7.062 7.310 1.00 0.00 C ATOM 840 O VAL A 55 -12.355 6.533 6.539 1.00 0.00 O ATOM 841 CB VAL A 55 -10.115 8.113 5.485 1.00 0.00 C ATOM 842 CG1 VAL A 55 -11.134 9.253 5.438 1.00 0.00 C ATOM 843 CG2 VAL A 55 -8.709 8.620 5.156 1.00 0.00 C ATOM 0 H VAL A 55 -9.768 5.427 6.279 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.722 8.112 7.565 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.395 7.383 4.725 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -11.095 9.736 4.461 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.134 8.854 5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.900 9.983 6.213 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.719 9.116 4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.389 9.327 5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.016 7.779 5.127 1.00 0.00 H new ATOM 853 N LYS A 56 -11.821 7.373 8.570 1.00 0.00 N ATOM 854 CA LYS A 56 -13.126 7.101 9.149 1.00 0.00 C ATOM 855 C LYS A 56 -13.601 5.719 8.695 1.00 0.00 C ATOM 856 O LYS A 56 -14.600 5.604 7.986 1.00 0.00 O ATOM 857 CB LYS A 56 -14.105 8.228 8.817 1.00 0.00 C ATOM 858 CG LYS A 56 -13.827 9.466 9.673 1.00 0.00 C ATOM 859 CD LYS A 56 -15.125 10.200 10.014 1.00 0.00 C ATOM 860 CE LYS A 56 -14.872 11.318 11.027 1.00 0.00 C ATOM 861 NZ LYS A 56 -16.138 11.722 11.680 1.00 0.00 N ATOM 0 H LYS A 56 -11.155 7.811 9.206 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.063 7.076 10.237 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.024 8.486 7.761 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -15.127 7.888 8.984 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.320 9.171 10.592 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.155 10.138 9.139 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -15.560 10.618 9.106 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -15.850 9.494 10.419 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.159 10.981 11.780 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.424 12.176 10.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -15.949 12.482 12.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -16.806 12.063 10.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.550 10.905 12.175 1.00 0.00 H new ATOM 875 N GLY A 57 -12.864 4.705 9.123 1.00 0.00 N ATOM 876 CA GLY A 57 -13.198 3.335 8.770 1.00 0.00 C ATOM 877 C GLY A 57 -12.288 2.819 7.654 1.00 0.00 C ATOM 878 O GLY A 57 -11.302 2.133 7.919 1.00 0.00 O ATOM 0 H GLY A 57 -12.037 4.804 9.711 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.101 2.696 9.648 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.238 3.282 8.450 1.00 0.00 H new ATOM 882 N LYS A 58 -12.650 3.170 6.428 1.00 0.00 N ATOM 883 CA LYS A 58 -11.877 2.751 5.271 1.00 0.00 C ATOM 884 C LYS A 58 -10.858 3.838 4.923 1.00 0.00 C ATOM 885 O LYS A 58 -11.087 5.017 5.189 1.00 0.00 O ATOM 886 CB LYS A 58 -12.806 2.385 4.112 1.00 0.00 C ATOM 887 CG LYS A 58 -13.594 1.111 4.422 1.00 0.00 C ATOM 888 CD LYS A 58 -14.130 0.471 3.139 1.00 0.00 C ATOM 889 CE LYS A 58 -15.455 -0.248 3.397 1.00 0.00 C ATOM 890 NZ LYS A 58 -16.039 -0.730 2.126 1.00 0.00 N ATOM 0 H LYS A 58 -13.468 3.740 6.211 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.313 1.846 5.496 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.497 3.207 3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.221 2.243 3.203 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.954 0.402 4.946 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.423 1.345 5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.271 1.238 2.377 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.398 -0.236 2.748 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.294 -1.089 4.072 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.152 0.428 3.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.938 -1.216 2.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.211 0.078 1.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.379 -1.392 1.670 1.00 0.00 H new ATOM 904 N PRO A 59 -9.725 3.391 4.318 1.00 0.00 N ATOM 905 CA PRO A 59 -8.670 4.312 3.931 1.00 0.00 C ATOM 906 C PRO A 59 -9.065 5.104 2.683 1.00 0.00 C ATOM 907 O PRO A 59 -10.043 4.772 2.016 1.00 0.00 O ATOM 908 CB PRO A 59 -7.445 3.438 3.717 1.00 0.00 C ATOM 909 CG PRO A 59 -7.968 2.022 3.538 1.00 0.00 C ATOM 910 CD PRO A 59 -9.420 2.002 3.988 1.00 0.00 C ATOM 0 HA PRO A 59 -8.474 5.071 4.689 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.884 3.761 2.840 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.768 3.499 4.569 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -7.887 1.714 2.496 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.377 1.319 4.125 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -10.074 1.630 3.199 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -9.558 1.350 4.851 1.00 0.00 H new ATOM 918 N ALA A 60 -8.283 6.137 2.405 1.00 0.00 N ATOM 919 CA ALA A 60 -8.538 6.980 1.250 1.00 0.00 C ATOM 920 C ALA A 60 -8.951 6.103 0.066 1.00 0.00 C ATOM 921 O ALA A 60 -8.532 4.951 -0.034 1.00 0.00 O ATOM 922 CB ALA A 60 -7.297 7.822 0.947 1.00 0.00 C ATOM 0 H ALA A 60 -7.472 6.409 2.961 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.358 7.670 1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.489 8.454 0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.063 8.448 1.808 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.454 7.164 0.737 1.00 0.00 H new ATOM 928 N GLU A 61 -9.769 6.682 -0.801 1.00 0.00 N ATOM 929 CA GLU A 61 -10.243 5.967 -1.974 1.00 0.00 C ATOM 930 C GLU A 61 -9.062 5.406 -2.768 1.00 0.00 C ATOM 931 O GLU A 61 -7.914 5.516 -2.340 1.00 0.00 O ATOM 932 CB GLU A 61 -11.113 6.870 -2.851 1.00 0.00 C ATOM 933 CG GLU A 61 -12.454 7.163 -2.175 1.00 0.00 C ATOM 934 CD GLU A 61 -13.564 6.284 -2.754 1.00 0.00 C ATOM 935 OE1 GLU A 61 -13.516 6.042 -3.979 1.00 0.00 O ATOM 936 OE2 GLU A 61 -14.436 5.873 -1.957 1.00 0.00 O ATOM 0 H GLU A 61 -10.115 7.637 -0.715 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.861 5.133 -1.642 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.589 7.805 -3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.285 6.391 -3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.370 6.989 -1.102 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.711 8.214 -2.309 1.00 0.00 H new ATOM 943 N ASN A 62 -9.383 4.816 -3.910 1.00 0.00 N ATOM 944 CA ASN A 62 -8.363 4.238 -4.767 1.00 0.00 C ATOM 945 C ASN A 62 -7.865 5.300 -5.749 1.00 0.00 C ATOM 946 O ASN A 62 -6.667 5.397 -6.009 1.00 0.00 O ATOM 947 CB ASN A 62 -8.924 3.069 -5.579 1.00 0.00 C ATOM 948 CG ASN A 62 -10.247 3.450 -6.246 1.00 0.00 C ATOM 949 OD1 ASN A 62 -11.213 3.821 -5.600 1.00 0.00 O ATOM 950 ND2 ASN A 62 -10.237 3.337 -7.571 1.00 0.00 N ATOM 0 H ASN A 62 -10.336 4.726 -4.262 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.553 3.880 -4.132 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.202 2.770 -6.339 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -9.076 2.208 -4.927 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -11.073 3.567 -8.109 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.394 3.020 -8.049 1.00 0.00 H new ATOM 957 N ASP A 63 -8.810 6.070 -6.267 1.00 0.00 N ATOM 958 CA ASP A 63 -8.483 7.122 -7.215 1.00 0.00 C ATOM 959 C ASP A 63 -8.210 8.421 -6.454 1.00 0.00 C ATOM 960 O ASP A 63 -8.754 9.470 -6.795 1.00 0.00 O ATOM 961 CB ASP A 63 -9.642 7.374 -8.180 1.00 0.00 C ATOM 962 CG ASP A 63 -9.231 7.863 -9.571 1.00 0.00 C ATOM 963 OD1 ASP A 63 -8.894 9.063 -9.673 1.00 0.00 O ATOM 964 OD2 ASP A 63 -9.264 7.027 -10.499 1.00 0.00 O ATOM 0 H ASP A 63 -9.803 5.987 -6.048 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.606 6.806 -7.780 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.211 6.451 -8.289 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.311 8.110 -7.736 1.00 0.00 H new ATOM 969 N VAL A 64 -7.367 8.309 -5.438 1.00 0.00 N ATOM 970 CA VAL A 64 -7.016 9.461 -4.626 1.00 0.00 C ATOM 971 C VAL A 64 -5.527 9.768 -4.801 1.00 0.00 C ATOM 972 O VAL A 64 -4.757 8.905 -5.220 1.00 0.00 O ATOM 973 CB VAL A 64 -7.408 9.213 -3.168 1.00 0.00 C ATOM 974 CG1 VAL A 64 -6.473 9.960 -2.214 1.00 0.00 C ATOM 975 CG2 VAL A 64 -8.867 9.600 -2.919 1.00 0.00 C ATOM 0 H VAL A 64 -6.917 7.437 -5.159 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.570 10.341 -4.952 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.306 8.146 -2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.774 9.767 -1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.450 9.616 -2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.529 11.030 -2.413 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.120 9.414 -1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.006 10.658 -3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.516 9.005 -3.561 1.00 0.00 H new ATOM 985 N LYS A 65 -5.167 10.999 -4.470 1.00 0.00 N ATOM 986 CA LYS A 65 -3.784 11.431 -4.585 1.00 0.00 C ATOM 987 C LYS A 65 -3.049 11.129 -3.278 1.00 0.00 C ATOM 988 O LYS A 65 -3.288 11.782 -2.263 1.00 0.00 O ATOM 989 CB LYS A 65 -3.714 12.900 -5.005 1.00 0.00 C ATOM 990 CG LYS A 65 -3.460 13.030 -6.508 1.00 0.00 C ATOM 991 CD LYS A 65 -2.108 13.692 -6.781 1.00 0.00 C ATOM 992 CE LYS A 65 -2.230 14.761 -7.869 1.00 0.00 C ATOM 993 NZ LYS A 65 -2.160 14.144 -9.212 1.00 0.00 N ATOM 0 H LYS A 65 -5.809 11.711 -4.122 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.276 10.874 -5.372 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.647 13.401 -4.746 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.919 13.402 -4.454 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.486 12.044 -6.971 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.256 13.618 -6.965 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.728 14.143 -5.864 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.385 12.937 -7.088 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.173 15.296 -7.757 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.432 15.495 -7.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.244 14.883 -9.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.250 13.653 -9.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.937 13.461 -9.321 1.00 0.00 H new ATOM 1007 N LEU A 66 -2.170 10.140 -3.344 1.00 0.00 N ATOM 1008 CA LEU A 66 -1.400 9.744 -2.178 1.00 0.00 C ATOM 1009 C LEU A 66 -0.744 10.981 -1.561 1.00 0.00 C ATOM 1010 O LEU A 66 -0.480 11.014 -0.360 1.00 0.00 O ATOM 1011 CB LEU A 66 -0.406 8.638 -2.542 1.00 0.00 C ATOM 1012 CG LEU A 66 -1.008 7.370 -3.151 1.00 0.00 C ATOM 1013 CD1 LEU A 66 -0.194 6.903 -4.359 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -1.152 6.271 -2.097 1.00 0.00 C ATOM 0 H LEU A 66 -1.974 9.601 -4.188 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.053 9.316 -1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.320 9.046 -3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.143 8.360 -1.643 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.010 7.605 -3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.643 6.000 -4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.187 7.686 -5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.829 6.690 -4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.582 5.381 -2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.171 6.030 -1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.805 6.618 -1.296 1.00 0.00 H new ATOM 1026 N GLY A 67 -0.500 11.968 -2.411 1.00 0.00 N ATOM 1027 CA GLY A 67 0.120 13.204 -1.965 1.00 0.00 C ATOM 1028 C GLY A 67 -0.881 14.075 -1.204 1.00 0.00 C ATOM 1029 O GLY A 67 -0.514 14.758 -0.249 1.00 0.00 O ATOM 0 H GLY A 67 -0.721 11.937 -3.406 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.972 12.977 -1.324 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.505 13.753 -2.824 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.126 14.023 -1.655 1.00 0.00 N ATOM 1034 CA ALA A 68 -3.182 14.799 -1.028 1.00 0.00 C ATOM 1035 C ALA A 68 -3.266 14.434 0.455 1.00 0.00 C ATOM 1036 O ALA A 68 -3.598 15.277 1.287 1.00 0.00 O ATOM 1037 CB ALA A 68 -4.501 14.554 -1.764 1.00 0.00 C ATOM 0 H ALA A 68 -2.427 13.455 -2.447 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.965 15.865 -1.093 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.294 15.136 -1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.398 14.857 -2.806 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.752 13.494 -1.717 1.00 0.00 H new ATOM 1043 N LEU A 69 -2.958 13.178 0.741 1.00 0.00 N ATOM 1044 CA LEU A 69 -2.994 12.691 2.110 1.00 0.00 C ATOM 1045 C LEU A 69 -1.799 13.256 2.879 1.00 0.00 C ATOM 1046 O LEU A 69 -1.851 13.395 4.100 1.00 0.00 O ATOM 1047 CB LEU A 69 -3.075 11.163 2.133 1.00 0.00 C ATOM 1048 CG LEU A 69 -4.482 10.565 2.102 1.00 0.00 C ATOM 1049 CD1 LEU A 69 -5.368 11.191 3.182 1.00 0.00 C ATOM 1050 CD2 LEU A 69 -5.102 10.692 0.709 1.00 0.00 C ATOM 0 H LEU A 69 -2.682 12.482 0.048 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.893 13.042 2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.519 10.777 1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.570 10.806 3.030 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.405 9.501 2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.363 10.748 3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.931 11.006 4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.441 12.266 3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.102 10.259 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.164 11.745 0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.482 10.163 -0.015 1.00 0.00 H new ATOM 1062 N LYS A 70 -0.749 13.567 2.133 1.00 0.00 N ATOM 1063 CA LYS A 70 0.458 14.114 2.729 1.00 0.00 C ATOM 1064 C LYS A 70 0.953 13.168 3.826 1.00 0.00 C ATOM 1065 O LYS A 70 1.141 13.582 4.969 1.00 0.00 O ATOM 1066 CB LYS A 70 0.215 15.544 3.215 1.00 0.00 C ATOM 1067 CG LYS A 70 0.701 16.563 2.182 1.00 0.00 C ATOM 1068 CD LYS A 70 2.229 16.639 2.163 1.00 0.00 C ATOM 1069 CE LYS A 70 2.738 17.684 3.158 1.00 0.00 C ATOM 1070 NZ LYS A 70 4.105 18.120 2.798 1.00 0.00 N ATOM 0 H LYS A 70 -0.709 13.450 1.120 1.00 0.00 H new ATOM 0 HA LYS A 70 1.252 14.185 1.985 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.848 15.692 3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.733 15.704 4.161 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.335 16.287 1.193 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.287 17.545 2.412 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.648 15.663 2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.572 16.890 1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.067 18.543 3.168 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.736 17.267 4.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.435 18.829 3.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.746 17.301 2.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.097 18.537 1.845 1.00 0.00 H new ATOM 1084 N LEU A 71 1.150 11.916 3.439 1.00 0.00 N ATOM 1085 CA LEU A 71 1.619 10.909 4.375 1.00 0.00 C ATOM 1086 C LEU A 71 3.117 11.104 4.619 1.00 0.00 C ATOM 1087 O LEU A 71 3.746 11.956 3.993 1.00 0.00 O ATOM 1088 CB LEU A 71 1.254 9.508 3.881 1.00 0.00 C ATOM 1089 CG LEU A 71 -0.232 9.253 3.624 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -0.443 8.534 2.290 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -0.869 8.494 4.791 1.00 0.00 C ATOM 0 H LEU A 71 0.993 11.576 2.490 1.00 0.00 H new ATOM 0 HA LEU A 71 1.121 11.022 5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.800 9.316 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.605 8.783 4.615 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.736 10.217 3.553 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.508 8.365 2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.049 9.147 1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.078 7.577 2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.926 8.326 4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.367 7.535 4.918 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.768 9.080 5.704 1.00 0.00 H new ATOM 1103 N LYS A 72 3.645 10.301 5.531 1.00 0.00 N ATOM 1104 CA LYS A 72 5.057 10.375 5.866 1.00 0.00 C ATOM 1105 C LYS A 72 5.864 9.587 4.832 1.00 0.00 C ATOM 1106 O LYS A 72 5.326 8.711 4.156 1.00 0.00 O ATOM 1107 CB LYS A 72 5.291 9.917 7.307 1.00 0.00 C ATOM 1108 CG LYS A 72 4.627 10.874 8.300 1.00 0.00 C ATOM 1109 CD LYS A 72 5.021 10.530 9.738 1.00 0.00 C ATOM 1110 CE LYS A 72 4.331 11.465 10.733 1.00 0.00 C ATOM 1111 NZ LYS A 72 5.134 11.587 11.971 1.00 0.00 N ATOM 0 H LYS A 72 3.120 9.596 6.048 1.00 0.00 H new ATOM 0 HA LYS A 72 5.405 11.407 5.824 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.892 8.912 7.442 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.361 9.865 7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.920 11.899 8.074 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.544 10.821 8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.750 9.497 9.956 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.102 10.607 9.851 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.194 12.448 10.283 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.339 11.083 10.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.652 12.225 12.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.243 10.650 12.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.072 11.972 11.740 1.00 0.00 H new ATOM 1125 N PRO A 73 7.175 9.936 4.738 1.00 0.00 N ATOM 1126 CA PRO A 73 8.061 9.271 3.798 1.00 0.00 C ATOM 1127 C PRO A 73 8.433 7.872 4.291 1.00 0.00 C ATOM 1128 O PRO A 73 8.462 7.621 5.495 1.00 0.00 O ATOM 1129 CB PRO A 73 9.261 10.195 3.668 1.00 0.00 C ATOM 1130 CG PRO A 73 9.219 11.107 4.884 1.00 0.00 C ATOM 1131 CD PRO A 73 7.846 10.969 5.521 1.00 0.00 C ATOM 0 HA PRO A 73 7.596 9.105 2.826 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.190 9.626 3.638 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.211 10.772 2.745 1.00 0.00 H new ATOM 0 HG2 PRO A 73 9.999 10.833 5.594 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.403 12.141 4.592 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.923 10.683 6.570 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.297 11.910 5.487 1.00 0.00 H new ATOM 1139 N ASN A 74 8.709 6.996 3.335 1.00 0.00 N ATOM 1140 CA ASN A 74 9.079 5.629 3.657 1.00 0.00 C ATOM 1141 C ASN A 74 8.180 5.114 4.784 1.00 0.00 C ATOM 1142 O ASN A 74 8.639 4.393 5.668 1.00 0.00 O ATOM 1143 CB ASN A 74 10.530 5.548 4.135 1.00 0.00 C ATOM 1144 CG ASN A 74 10.875 6.731 5.042 1.00 0.00 C ATOM 1145 OD1 ASN A 74 11.070 7.850 4.599 1.00 0.00 O ATOM 1146 ND2 ASN A 74 10.939 6.421 6.334 1.00 0.00 N ATOM 0 H ASN A 74 8.684 7.207 2.337 1.00 0.00 H new ATOM 0 HA ASN A 74 8.963 5.027 2.756 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.688 4.614 4.674 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.200 5.537 3.275 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.163 7.141 7.021 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.764 5.463 6.638 1.00 0.00 H new ATOM 1153 N THR A 75 6.916 5.505 4.716 1.00 0.00 N ATOM 1154 CA THR A 75 5.950 5.093 5.719 1.00 0.00 C ATOM 1155 C THR A 75 5.722 3.582 5.651 1.00 0.00 C ATOM 1156 O THR A 75 5.107 3.085 4.708 1.00 0.00 O ATOM 1157 CB THR A 75 4.673 5.910 5.510 1.00 0.00 C ATOM 1158 OG1 THR A 75 4.969 7.173 6.100 1.00 0.00 O ATOM 1159 CG2 THR A 75 3.497 5.380 6.333 1.00 0.00 C ATOM 0 H THR A 75 6.539 6.103 3.981 1.00 0.00 H new ATOM 0 HA THR A 75 6.318 5.290 6.726 1.00 0.00 H new ATOM 0 HB THR A 75 4.407 5.904 4.453 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.939 7.267 6.202 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.617 5.995 6.148 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.287 4.350 6.046 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.749 5.417 7.393 1.00 0.00 H new ATOM 1167 N LYS A 76 6.230 2.893 6.662 1.00 0.00 N ATOM 1168 CA LYS A 76 6.090 1.448 6.729 1.00 0.00 C ATOM 1169 C LYS A 76 4.657 1.097 7.132 1.00 0.00 C ATOM 1170 O LYS A 76 4.320 1.110 8.315 1.00 0.00 O ATOM 1171 CB LYS A 76 7.153 0.848 7.652 1.00 0.00 C ATOM 1172 CG LYS A 76 8.560 1.228 7.186 1.00 0.00 C ATOM 1173 CD LYS A 76 9.527 1.304 8.369 1.00 0.00 C ATOM 1174 CE LYS A 76 10.210 -0.044 8.608 1.00 0.00 C ATOM 1175 NZ LYS A 76 11.050 0.009 9.825 1.00 0.00 N ATOM 0 H LYS A 76 6.739 3.309 7.442 1.00 0.00 H new ATOM 0 HA LYS A 76 6.264 1.003 5.749 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.996 1.201 8.671 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.053 -0.237 7.671 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.919 0.494 6.465 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.530 2.190 6.674 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.280 2.068 8.179 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.986 1.606 9.266 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.458 -0.826 8.712 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.824 -0.305 7.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.506 -0.914 9.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.779 0.742 9.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.456 0.237 10.647 1.00 0.00 H new ATOM 1189 N ILE A 77 3.851 0.792 6.126 1.00 0.00 N ATOM 1190 CA ILE A 77 2.461 0.438 6.361 1.00 0.00 C ATOM 1191 C ILE A 77 2.320 -1.085 6.362 1.00 0.00 C ATOM 1192 O ILE A 77 3.243 -1.798 5.969 1.00 0.00 O ATOM 1193 CB ILE A 77 1.551 1.139 5.350 1.00 0.00 C ATOM 1194 CG1 ILE A 77 1.687 0.510 3.962 1.00 0.00 C ATOM 1195 CG2 ILE A 77 1.817 2.646 5.325 1.00 0.00 C ATOM 1196 CD1 ILE A 77 0.633 -0.577 3.746 1.00 0.00 C ATOM 0 H ILE A 77 4.134 0.783 5.146 1.00 0.00 H new ATOM 0 HA ILE A 77 2.139 0.789 7.342 1.00 0.00 H new ATOM 0 HB ILE A 77 0.517 1.000 5.667 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.582 1.280 3.198 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.683 0.083 3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.157 3.120 4.598 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.629 3.065 6.313 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.855 2.828 5.045 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.753 -1.007 2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.756 -1.358 4.496 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.362 -0.142 3.836 1.00 0.00 H new ATOM 1208 N MET A 78 1.158 -1.540 6.808 1.00 0.00 N ATOM 1209 CA MET A 78 0.885 -2.966 6.865 1.00 0.00 C ATOM 1210 C MET A 78 -0.063 -3.388 5.741 1.00 0.00 C ATOM 1211 O MET A 78 -0.777 -2.558 5.181 1.00 0.00 O ATOM 1212 CB MET A 78 0.259 -3.312 8.218 1.00 0.00 C ATOM 1213 CG MET A 78 0.924 -4.547 8.830 1.00 0.00 C ATOM 1214 SD MET A 78 0.901 -4.433 10.611 1.00 0.00 S ATOM 1215 CE MET A 78 0.885 -6.167 11.032 1.00 0.00 C ATOM 0 H MET A 78 0.395 -0.946 7.133 1.00 0.00 H new ATOM 0 HA MET A 78 1.826 -3.502 6.742 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.361 -2.465 8.897 1.00 0.00 H new ATOM 0 HB3 MET A 78 -0.808 -3.494 8.093 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.402 -5.448 8.508 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.952 -4.630 8.476 1.00 0.00 H new ATOM 0 HE1 MET A 78 0.870 -6.278 12.116 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.002 -6.636 10.607 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.777 -6.647 10.631 1.00 0.00 H new ATOM 1225 N MET A 79 -0.038 -4.679 5.443 1.00 0.00 N ATOM 1226 CA MET A 79 -0.887 -5.222 4.395 1.00 0.00 C ATOM 1227 C MET A 79 -1.571 -6.510 4.856 1.00 0.00 C ATOM 1228 O MET A 79 -1.052 -7.219 5.717 1.00 0.00 O ATOM 1229 CB MET A 79 -0.042 -5.509 3.152 1.00 0.00 C ATOM 1230 CG MET A 79 -0.916 -6.010 2.000 1.00 0.00 C ATOM 1231 SD MET A 79 -1.095 -7.783 2.097 1.00 0.00 S ATOM 1232 CE MET A 79 -0.277 -8.260 0.583 1.00 0.00 C ATOM 0 H MET A 79 0.556 -5.365 5.909 1.00 0.00 H new ATOM 0 HA MET A 79 -1.658 -4.488 4.160 1.00 0.00 H new ATOM 0 HB2 MET A 79 0.483 -4.604 2.848 1.00 0.00 H new ATOM 0 HB3 MET A 79 0.718 -6.254 3.388 1.00 0.00 H new ATOM 0 HG2 MET A 79 -1.896 -5.534 2.042 1.00 0.00 H new ATOM 0 HG3 MET A 79 -0.468 -5.733 1.046 1.00 0.00 H new ATOM 0 HE1 MET A 79 -0.579 -9.271 0.309 1.00 0.00 H new ATOM 0 HE2 MET A 79 -0.555 -7.570 -0.214 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.803 -8.230 0.728 1.00 0.00 H new ATOM 1242 N MET A 80 -2.726 -6.773 4.264 1.00 0.00 N ATOM 1243 CA MET A 80 -3.487 -7.964 4.603 1.00 0.00 C ATOM 1244 C MET A 80 -4.053 -8.629 3.346 1.00 0.00 C ATOM 1245 O MET A 80 -4.447 -7.946 2.402 1.00 0.00 O ATOM 1246 CB MET A 80 -4.635 -7.586 5.542 1.00 0.00 C ATOM 1247 CG MET A 80 -4.170 -7.579 6.999 1.00 0.00 C ATOM 1248 SD MET A 80 -5.333 -8.474 8.016 1.00 0.00 S ATOM 1249 CE MET A 80 -6.795 -7.482 7.761 1.00 0.00 C ATOM 0 H MET A 80 -3.154 -6.182 3.551 1.00 0.00 H new ATOM 0 HA MET A 80 -2.820 -8.671 5.096 1.00 0.00 H new ATOM 0 HB2 MET A 80 -5.020 -6.602 5.274 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.456 -8.293 5.422 1.00 0.00 H new ATOM 0 HG2 MET A 80 -3.182 -8.033 7.076 1.00 0.00 H new ATOM 0 HG3 MET A 80 -4.078 -6.553 7.355 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.004 -6.904 8.661 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.633 -6.804 6.923 1.00 0.00 H new ATOM 0 HE3 MET A 80 -7.642 -8.132 7.543 1.00 0.00 H new ATOM 1259 N GLY A 81 -4.076 -9.953 3.376 1.00 0.00 N ATOM 1260 CA GLY A 81 -4.587 -10.718 2.251 1.00 0.00 C ATOM 1261 C GLY A 81 -3.692 -11.924 1.956 1.00 0.00 C ATOM 1262 O GLY A 81 -2.810 -12.255 2.747 1.00 0.00 O ATOM 0 H GLY A 81 -3.749 -10.516 4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.600 -11.057 2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.646 -10.080 1.369 1.00 0.00 H new ATOM 1266 N THR A 82 -3.951 -12.547 0.816 1.00 0.00 N ATOM 1267 CA THR A 82 -3.180 -13.709 0.406 1.00 0.00 C ATOM 1268 C THR A 82 -3.398 -13.996 -1.081 1.00 0.00 C ATOM 1269 O THR A 82 -4.387 -13.554 -1.664 1.00 0.00 O ATOM 1270 CB THR A 82 -3.567 -14.877 1.314 1.00 0.00 C ATOM 1271 OG1 THR A 82 -2.673 -15.921 0.938 1.00 0.00 O ATOM 1272 CG2 THR A 82 -4.953 -15.438 0.988 1.00 0.00 C ATOM 0 H THR A 82 -4.684 -12.269 0.163 1.00 0.00 H new ATOM 0 HA THR A 82 -2.110 -13.533 0.517 1.00 0.00 H new ATOM 0 HB THR A 82 -3.543 -14.551 2.354 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.498 -16.497 1.712 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.178 -16.265 1.662 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.701 -14.655 1.112 1.00 0.00 H new ATOM 0 HG23 THR A 82 -4.968 -15.795 -0.042 1.00 0.00 H new ATOM 1280 N ARG A 83 -2.458 -14.735 -1.651 1.00 0.00 N ATOM 1281 CA ARG A 83 -2.535 -15.087 -3.059 1.00 0.00 C ATOM 1282 C ARG A 83 -3.510 -16.248 -3.264 1.00 0.00 C ATOM 1283 O ARG A 83 -3.747 -17.033 -2.347 1.00 0.00 O ATOM 1284 CB ARG A 83 -1.161 -15.483 -3.604 1.00 0.00 C ATOM 1285 CG ARG A 83 -0.673 -16.785 -2.967 1.00 0.00 C ATOM 1286 CD ARG A 83 0.854 -16.873 -2.999 1.00 0.00 C ATOM 1287 NE ARG A 83 1.321 -17.069 -4.389 1.00 0.00 N ATOM 1288 CZ ARG A 83 2.610 -17.175 -4.741 1.00 0.00 C ATOM 1289 NH1 ARG A 83 3.568 -17.104 -3.807 1.00 0.00 N ATOM 1290 NH2 ARG A 83 2.941 -17.352 -6.028 1.00 0.00 N ATOM 0 H ARG A 83 -1.639 -15.100 -1.164 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.890 -14.210 -3.600 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.215 -15.602 -4.686 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.444 -14.686 -3.406 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.023 -16.843 -1.936 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.101 -17.636 -3.497 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.288 -15.962 -2.586 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.192 -17.699 -2.373 1.00 0.00 H new ATOM 0 HE ARG A 83 0.618 -17.127 -5.126 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.317 -16.969 -2.828 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.549 -17.185 -4.075 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.212 -17.406 -6.739 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.922 -17.433 -6.296 1.00 0.00 H new ATOM 1304 N GLU A 84 -4.049 -16.320 -4.472 1.00 0.00 N ATOM 1305 CA GLU A 84 -4.994 -17.372 -4.808 1.00 0.00 C ATOM 1306 C GLU A 84 -6.353 -17.091 -4.165 1.00 0.00 C ATOM 1307 O GLU A 84 -6.439 -16.355 -3.183 1.00 0.00 O ATOM 1308 CB GLU A 84 -4.461 -18.743 -4.387 1.00 0.00 C ATOM 1309 CG GLU A 84 -4.651 -19.772 -5.503 1.00 0.00 C ATOM 1310 CD GLU A 84 -3.486 -20.763 -5.539 1.00 0.00 C ATOM 1311 OE1 GLU A 84 -2.332 -20.284 -5.505 1.00 0.00 O ATOM 1312 OE2 GLU A 84 -3.776 -21.978 -5.600 1.00 0.00 O ATOM 0 H GLU A 84 -3.850 -15.667 -5.230 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.122 -17.385 -5.890 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.403 -18.664 -4.136 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.978 -19.077 -3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.586 -20.310 -5.351 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.729 -19.262 -6.463 1.00 0.00 H new ATOM 1319 N SER A 85 -7.382 -17.692 -4.744 1.00 0.00 N ATOM 1320 CA SER A 85 -8.733 -17.515 -4.240 1.00 0.00 C ATOM 1321 C SER A 85 -9.036 -18.572 -3.176 1.00 0.00 C ATOM 1322 O SER A 85 -9.324 -19.723 -3.503 1.00 0.00 O ATOM 1323 CB SER A 85 -9.758 -17.593 -5.373 1.00 0.00 C ATOM 1324 OG SER A 85 -9.544 -16.585 -6.357 1.00 0.00 O ATOM 0 H SER A 85 -7.307 -18.302 -5.558 1.00 0.00 H new ATOM 0 HA SER A 85 -8.804 -16.525 -3.790 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.705 -18.575 -5.843 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.762 -17.490 -4.961 1.00 0.00 H new ATOM 0 HG SER A 85 -10.217 -16.670 -7.064 1.00 0.00 H new ATOM 1330 N GLY A 86 -8.962 -18.144 -1.924 1.00 0.00 N ATOM 1331 CA GLY A 86 -9.225 -19.039 -0.810 1.00 0.00 C ATOM 1332 C GLY A 86 -8.147 -18.906 0.267 1.00 0.00 C ATOM 1333 O GLY A 86 -7.135 -18.238 0.059 1.00 0.00 O ATOM 0 H GLY A 86 -8.724 -17.189 -1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -10.202 -18.815 -0.381 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.262 -20.068 -1.167 1.00 0.00 H new ATOM 1337 N PRO A 87 -8.407 -19.569 1.426 1.00 0.00 N ATOM 1338 CA PRO A 87 -7.470 -19.531 2.536 1.00 0.00 C ATOM 1339 C PRO A 87 -6.255 -20.419 2.259 1.00 0.00 C ATOM 1340 O PRO A 87 -6.361 -21.644 2.274 1.00 0.00 O ATOM 1341 CB PRO A 87 -8.274 -19.984 3.744 1.00 0.00 C ATOM 1342 CG PRO A 87 -9.494 -20.700 3.188 1.00 0.00 C ATOM 1343 CD PRO A 87 -9.594 -20.371 1.708 1.00 0.00 C ATOM 0 HA PRO A 87 -7.053 -18.538 2.701 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.686 -20.648 4.378 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -8.567 -19.133 4.359 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.404 -21.776 3.334 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -10.395 -20.381 3.712 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -9.614 -21.276 1.101 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -10.507 -19.819 1.486 1.00 0.00 H new ATOM 1351 N SER A 88 -5.129 -19.766 2.014 1.00 0.00 N ATOM 1352 CA SER A 88 -3.895 -20.480 1.734 1.00 0.00 C ATOM 1353 C SER A 88 -3.404 -21.191 2.997 1.00 0.00 C ATOM 1354 O SER A 88 -3.076 -20.543 3.990 1.00 0.00 O ATOM 1355 CB SER A 88 -2.817 -19.532 1.205 1.00 0.00 C ATOM 1356 OG SER A 88 -1.531 -20.145 1.184 1.00 0.00 O ATOM 0 H SER A 88 -5.045 -18.750 2.004 1.00 0.00 H new ATOM 0 HA SER A 88 -4.097 -21.222 0.962 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.081 -19.209 0.198 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.783 -18.638 1.828 1.00 0.00 H new ATOM 0 HG SER A 88 -0.871 -19.508 0.839 1.00 0.00 H new ATOM 1362 N SER A 89 -3.369 -22.513 2.918 1.00 0.00 N ATOM 1363 CA SER A 89 -2.923 -23.318 4.043 1.00 0.00 C ATOM 1364 C SER A 89 -1.529 -22.871 4.487 1.00 0.00 C ATOM 1365 O SER A 89 -0.835 -22.169 3.753 1.00 0.00 O ATOM 1366 CB SER A 89 -2.915 -24.806 3.686 1.00 0.00 C ATOM 1367 OG SER A 89 -2.023 -25.092 2.612 1.00 0.00 O ATOM 0 H SER A 89 -3.642 -23.047 2.093 1.00 0.00 H new ATOM 0 HA SER A 89 -3.623 -23.173 4.866 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.626 -25.387 4.562 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.923 -25.119 3.413 1.00 0.00 H new ATOM 0 HG SER A 89 -2.045 -26.052 2.415 1.00 0.00 H new ATOM 1373 N GLY A 90 -1.160 -23.296 5.686 1.00 0.00 N ATOM 1374 CA GLY A 90 0.139 -22.948 6.237 1.00 0.00 C ATOM 1375 C GLY A 90 0.914 -24.202 6.648 1.00 0.00 C ATOM 1376 O GLY A 90 0.391 -25.049 7.371 1.00 0.00 O ATOM 0 H GLY A 90 -1.738 -23.878 6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 90 0.713 -22.387 5.499 1.00 0.00 H new ATOM 0 HA3 GLY A 90 0.009 -22.297 7.101 1.00 0.00 H new TER 1380 GLY A 90