USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 603 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 13 TYR OH : rot -171:sc= 1.22 USER MOD Set 1.2: A 33 GLN :FLIP amide:sc= 0.186 F(o=-0.21,f=2.6) USER MOD Set 1.3: A 34 THR OG1 : rot -20:sc= 1.2 USER MOD Set 2.1: A 22 GLN : amide:sc= 0.536 K(o=1.4,f=0.032) USER MOD Set 2.2: A 62 SER OG : rot -143:sc= 0.843 USER MOD Single : A 1 LYS N :NH3+ 149:sc= 0.0901 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -176:sc= 0.757 (180deg=0.683) USER MOD Single : A 2 SER OG : rot -169:sc= 1.2 USER MOD Single : A 7 LYS NZ :NH3+ 146:sc= 0.287 (180deg=-0.112) USER MOD Single : A 12 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0337) USER MOD Single : A 16 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.248) USER MOD Single : A 21 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.18) USER MOD Single : A 24 SER OG : rot -128:sc= 1.89 USER MOD Single : A 25 LYS NZ :NH3+ 165:sc= -0.0221 (180deg=-0.184) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc=-0.00145 (180deg=-0.106) USER MOD Single : A 38 SER OG : rot 45:sc= 1.21 USER MOD Single : A 41 LYS NZ :NH3+ 172:sc= 0.67 (180deg=0.558) USER MOD Single : A 43 MET CE :methyl -175:sc= 0 (180deg=-0.0274) USER MOD Single : A 44 SER OG : rot 180:sc= 0.046 USER MOD Single : A 45 THR OG1 : rot 170:sc= 1.3 USER MOD Single : A 55 LYS NZ :NH3+ 175:sc= 1.02 (180deg=0.986) USER MOD Single : A 67 GLN : amide:sc= 1.56 K(o=1.6,f=0.02) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 152:sc= 0.705 (180deg=0.259) USER MOD Single : A 74 SER OG : rot 62:sc= 0.986 USER MOD Single : A 75 GLN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.376 2.530 -0.989 1.00 0.00 N ATOM 2 CA LYS A 1 2.633 1.761 -0.968 1.00 0.00 C ATOM 3 C LYS A 1 2.594 0.640 -2.009 1.00 0.00 C ATOM 4 O LYS A 1 3.077 0.821 -3.127 1.00 0.00 O ATOM 5 CB LYS A 1 2.947 1.262 0.453 1.00 0.00 C ATOM 6 CG LYS A 1 4.265 0.476 0.524 1.00 0.00 C ATOM 7 CD LYS A 1 4.599 0.129 1.980 1.00 0.00 C ATOM 8 CE LYS A 1 5.897 -0.681 2.087 1.00 0.00 C ATOM 9 NZ LYS A 1 5.765 -2.027 1.498 1.00 0.00 N ATOM 0 H1 LYS A 1 1.174 2.892 -0.035 1.00 0.00 H new ATOM 0 H2 LYS A 1 1.468 3.328 -1.649 1.00 0.00 H new ATOM 0 H3 LYS A 1 0.597 1.914 -1.297 1.00 0.00 H new ATOM 0 HA LYS A 1 3.458 2.416 -1.248 1.00 0.00 H new ATOM 0 HB2 LYS A 1 2.999 2.114 1.130 1.00 0.00 H new ATOM 0 HB3 LYS A 1 2.131 0.628 0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 1 4.184 -0.437 -0.065 1.00 0.00 H new ATOM 0 HG3 LYS A 1 5.072 1.066 0.089 1.00 0.00 H new ATOM 0 HD2 LYS A 1 4.694 1.047 2.560 1.00 0.00 H new ATOM 0 HD3 LYS A 1 3.778 -0.440 2.416 1.00 0.00 H new ATOM 0 HE2 LYS A 1 6.701 -0.144 1.584 1.00 0.00 H new ATOM 0 HE3 LYS A 1 6.181 -0.771 3.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 6.643 -2.562 1.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 4.972 -2.527 1.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 5.587 -1.943 0.477 1.00 0.00 H new ATOM 25 N SER A 2 2.012 -0.512 -1.659 1.00 0.00 N ATOM 26 CA SER A 2 2.092 -1.727 -2.451 1.00 0.00 C ATOM 27 C SER A 2 1.806 -1.505 -3.937 1.00 0.00 C ATOM 28 O SER A 2 2.636 -1.901 -4.748 1.00 0.00 O ATOM 29 CB SER A 2 1.240 -2.837 -1.827 1.00 0.00 C ATOM 30 OG SER A 2 1.108 -2.610 -0.435 1.00 0.00 O ATOM 0 H SER A 2 1.466 -0.620 -0.804 1.00 0.00 H new ATOM 0 HA SER A 2 3.129 -2.061 -2.426 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.257 -2.862 -2.296 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.703 -3.808 -2.005 1.00 0.00 H new ATOM 0 HG SER A 2 0.711 -3.399 -0.011 1.00 0.00 H new ATOM 36 N PRO A 3 0.694 -0.853 -4.324 1.00 0.00 N ATOM 37 CA PRO A 3 0.400 -0.567 -5.721 1.00 0.00 C ATOM 38 C PRO A 3 1.587 0.031 -6.479 1.00 0.00 C ATOM 39 O PRO A 3 1.836 -0.337 -7.623 1.00 0.00 O ATOM 40 CB PRO A 3 -0.796 0.390 -5.700 1.00 0.00 C ATOM 41 CG PRO A 3 -1.520 -0.007 -4.415 1.00 0.00 C ATOM 42 CD PRO A 3 -0.351 -0.294 -3.475 1.00 0.00 C ATOM 0 HA PRO A 3 0.178 -1.489 -6.259 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.480 1.433 -5.681 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.430 0.265 -6.578 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -2.158 0.793 -4.041 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -2.155 -0.881 -4.557 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -0.011 0.616 -2.980 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.639 -0.995 -2.691 1.00 0.00 H new ATOM 50 N GLU A 4 2.331 0.944 -5.846 1.00 0.00 N ATOM 51 CA GLU A 4 3.445 1.636 -6.475 1.00 0.00 C ATOM 52 C GLU A 4 4.612 0.672 -6.676 1.00 0.00 C ATOM 53 O GLU A 4 5.210 0.616 -7.750 1.00 0.00 O ATOM 54 CB GLU A 4 3.858 2.833 -5.606 1.00 0.00 C ATOM 55 CG GLU A 4 2.696 3.807 -5.362 1.00 0.00 C ATOM 56 CD GLU A 4 3.045 4.810 -4.269 1.00 0.00 C ATOM 57 OE1 GLU A 4 3.728 5.802 -4.602 1.00 0.00 O ATOM 58 OE2 GLU A 4 2.631 4.554 -3.116 1.00 0.00 O ATOM 0 H GLU A 4 2.171 1.220 -4.877 1.00 0.00 H new ATOM 0 HA GLU A 4 3.143 2.006 -7.455 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.233 2.471 -4.648 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.678 3.364 -6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.461 4.337 -6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.803 3.250 -5.078 1.00 0.00 H new ATOM 65 N GLU A 5 4.930 -0.101 -5.636 1.00 0.00 N ATOM 66 CA GLU A 5 5.987 -1.103 -5.702 1.00 0.00 C ATOM 67 C GLU A 5 5.662 -2.093 -6.819 1.00 0.00 C ATOM 68 O GLU A 5 6.479 -2.368 -7.696 1.00 0.00 O ATOM 69 CB GLU A 5 6.117 -1.835 -4.358 1.00 0.00 C ATOM 70 CG GLU A 5 6.275 -0.850 -3.196 1.00 0.00 C ATOM 71 CD GLU A 5 6.520 -1.565 -1.873 1.00 0.00 C ATOM 72 OE1 GLU A 5 5.579 -2.248 -1.415 1.00 0.00 O ATOM 73 OE2 GLU A 5 7.635 -1.406 -1.331 1.00 0.00 O ATOM 0 H GLU A 5 4.463 -0.048 -4.731 1.00 0.00 H new ATOM 0 HA GLU A 5 6.939 -0.615 -5.913 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.236 -2.455 -4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.977 -2.504 -4.389 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.106 -0.175 -3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.378 -0.236 -3.116 1.00 0.00 H new ATOM 80 N LEU A 6 4.434 -2.607 -6.777 1.00 0.00 N ATOM 81 CA LEU A 6 3.940 -3.586 -7.730 1.00 0.00 C ATOM 82 C LEU A 6 3.953 -2.997 -9.137 1.00 0.00 C ATOM 83 O LEU A 6 4.338 -3.690 -10.074 1.00 0.00 O ATOM 84 CB LEU A 6 2.542 -4.081 -7.339 1.00 0.00 C ATOM 85 CG LEU A 6 2.503 -4.769 -5.966 1.00 0.00 C ATOM 86 CD1 LEU A 6 1.055 -4.790 -5.470 1.00 0.00 C ATOM 87 CD2 LEU A 6 3.039 -6.201 -6.039 1.00 0.00 C ATOM 0 H LEU A 6 3.748 -2.348 -6.068 1.00 0.00 H new ATOM 0 HA LEU A 6 4.601 -4.452 -7.716 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.853 -3.236 -7.334 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.186 -4.778 -8.097 1.00 0.00 H new ATOM 0 HG LEU A 6 3.138 -4.211 -5.278 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.011 -5.276 -4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.685 -3.768 -5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.436 -5.341 -6.178 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.996 -6.656 -5.050 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.431 -6.782 -6.733 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.072 -6.186 -6.387 1.00 0.00 H new ATOM 99 N LYS A 7 3.568 -1.726 -9.302 1.00 0.00 N ATOM 100 CA LYS A 7 3.711 -1.029 -10.570 1.00 0.00 C ATOM 101 C LYS A 7 5.165 -1.039 -11.024 1.00 0.00 C ATOM 102 O LYS A 7 5.431 -1.400 -12.163 1.00 0.00 O ATOM 103 CB LYS A 7 3.175 0.404 -10.486 1.00 0.00 C ATOM 104 CG LYS A 7 3.105 1.031 -11.886 1.00 0.00 C ATOM 105 CD LYS A 7 2.447 2.414 -11.825 1.00 0.00 C ATOM 106 CE LYS A 7 2.431 3.081 -13.207 1.00 0.00 C ATOM 107 NZ LYS A 7 1.651 2.303 -14.188 1.00 0.00 N ATOM 0 H LYS A 7 3.152 -1.161 -8.561 1.00 0.00 H new ATOM 0 HA LYS A 7 3.114 -1.559 -11.312 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.185 0.403 -10.031 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.820 1.004 -9.844 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.109 1.118 -12.302 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.538 0.382 -12.553 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.427 2.319 -11.452 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.986 3.046 -11.119 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.009 4.082 -13.121 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.454 3.195 -13.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.180 2.952 -14.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.287 1.671 -14.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.935 1.736 -13.691 1.00 0.00 H new ATOM 121 N GLY A 8 6.101 -0.643 -10.160 1.00 0.00 N ATOM 122 CA GLY A 8 7.515 -0.631 -10.503 1.00 0.00 C ATOM 123 C GLY A 8 7.972 -2.004 -10.997 1.00 0.00 C ATOM 124 O GLY A 8 8.508 -2.127 -12.097 1.00 0.00 O ATOM 0 H GLY A 8 5.898 -0.325 -9.212 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.699 0.117 -11.275 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.102 -0.341 -9.631 1.00 0.00 H new ATOM 128 N ILE A 9 7.728 -3.036 -10.185 1.00 0.00 N ATOM 129 CA ILE A 9 8.009 -4.427 -10.528 1.00 0.00 C ATOM 130 C ILE A 9 7.416 -4.740 -11.906 1.00 0.00 C ATOM 131 O ILE A 9 8.146 -5.036 -12.855 1.00 0.00 O ATOM 132 CB ILE A 9 7.437 -5.335 -9.412 1.00 0.00 C ATOM 133 CG1 ILE A 9 8.237 -5.201 -8.104 1.00 0.00 C ATOM 134 CG2 ILE A 9 7.390 -6.817 -9.788 1.00 0.00 C ATOM 135 CD1 ILE A 9 7.652 -6.076 -6.986 1.00 0.00 C ATOM 0 H ILE A 9 7.323 -2.923 -9.256 1.00 0.00 H new ATOM 0 HA ILE A 9 9.082 -4.610 -10.592 1.00 0.00 H new ATOM 0 HB ILE A 9 6.415 -4.983 -9.273 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.275 -5.484 -8.282 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.241 -4.159 -7.785 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.978 -7.390 -8.957 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.760 -6.949 -10.668 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.398 -7.169 -10.007 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.245 -5.953 -6.080 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.623 -5.776 -6.790 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.672 -7.121 -7.294 1.00 0.00 H new ATOM 147 N PHE A 10 6.086 -4.675 -11.999 1.00 0.00 N ATOM 148 CA PHE A 10 5.315 -4.962 -13.198 1.00 0.00 C ATOM 149 C PHE A 10 5.948 -4.280 -14.409 1.00 0.00 C ATOM 150 O PHE A 10 6.215 -4.926 -15.416 1.00 0.00 O ATOM 151 CB PHE A 10 3.861 -4.513 -12.974 1.00 0.00 C ATOM 152 CG PHE A 10 3.017 -4.470 -14.228 1.00 0.00 C ATOM 153 CD1 PHE A 10 3.105 -3.350 -15.071 1.00 0.00 C ATOM 154 CD2 PHE A 10 2.269 -5.588 -14.637 1.00 0.00 C ATOM 155 CE1 PHE A 10 2.593 -3.415 -16.369 1.00 0.00 C ATOM 156 CE2 PHE A 10 1.623 -5.585 -15.881 1.00 0.00 C ATOM 157 CZ PHE A 10 1.815 -4.515 -16.762 1.00 0.00 C ATOM 0 H PHE A 10 5.499 -4.410 -11.208 1.00 0.00 H new ATOM 0 HA PHE A 10 5.316 -6.033 -13.401 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.392 -5.188 -12.259 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.866 -3.522 -12.521 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.567 -2.441 -14.716 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.192 -6.451 -13.992 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.796 -2.619 -17.070 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.979 -6.406 -16.159 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.365 -4.536 -17.744 1.00 0.00 H new ATOM 167 N GLU A 11 6.192 -2.975 -14.295 1.00 0.00 N ATOM 168 CA GLU A 11 6.706 -2.138 -15.359 1.00 0.00 C ATOM 169 C GLU A 11 8.087 -2.616 -15.793 1.00 0.00 C ATOM 170 O GLU A 11 8.351 -2.725 -16.987 1.00 0.00 O ATOM 171 CB GLU A 11 6.708 -0.677 -14.889 1.00 0.00 C ATOM 172 CG GLU A 11 7.064 0.305 -16.011 1.00 0.00 C ATOM 173 CD GLU A 11 6.953 1.746 -15.526 1.00 0.00 C ATOM 174 OE1 GLU A 11 5.801 2.188 -15.317 1.00 0.00 O ATOM 175 OE2 GLU A 11 8.019 2.376 -15.361 1.00 0.00 O ATOM 0 H GLU A 11 6.029 -2.462 -13.428 1.00 0.00 H new ATOM 0 HA GLU A 11 6.065 -2.208 -16.237 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.725 -0.426 -14.491 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.421 -0.563 -14.072 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.078 0.112 -16.361 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.399 0.150 -16.860 1.00 0.00 H new ATOM 182 N LYS A 12 8.975 -2.902 -14.838 1.00 0.00 N ATOM 183 CA LYS A 12 10.303 -3.403 -15.164 1.00 0.00 C ATOM 184 C LYS A 12 10.206 -4.724 -15.926 1.00 0.00 C ATOM 185 O LYS A 12 10.838 -4.873 -16.969 1.00 0.00 O ATOM 186 CB LYS A 12 11.151 -3.540 -13.894 1.00 0.00 C ATOM 187 CG LYS A 12 11.531 -2.163 -13.332 1.00 0.00 C ATOM 188 CD LYS A 12 12.107 -2.260 -11.912 1.00 0.00 C ATOM 189 CE LYS A 12 13.342 -3.166 -11.806 1.00 0.00 C ATOM 190 NZ LYS A 12 14.418 -2.739 -12.716 1.00 0.00 N ATOM 0 H LYS A 12 8.796 -2.795 -13.840 1.00 0.00 H new ATOM 0 HA LYS A 12 10.800 -2.685 -15.816 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.597 -4.103 -13.142 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.055 -4.108 -14.116 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.263 -1.693 -13.989 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.651 -1.520 -13.323 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.371 -1.260 -11.568 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.334 -2.635 -11.241 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.710 -3.159 -10.780 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.059 -4.193 -12.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.257 -3.335 -12.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.098 -2.835 -13.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.660 -1.746 -12.526 1.00 0.00 H new ATOM 204 N TYR A 13 9.415 -5.679 -15.427 1.00 0.00 N ATOM 205 CA TYR A 13 9.185 -6.925 -16.149 1.00 0.00 C ATOM 206 C TYR A 13 8.636 -6.663 -17.554 1.00 0.00 C ATOM 207 O TYR A 13 9.260 -7.029 -18.547 1.00 0.00 O ATOM 208 CB TYR A 13 8.267 -7.836 -15.331 1.00 0.00 C ATOM 209 CG TYR A 13 9.015 -8.583 -14.252 1.00 0.00 C ATOM 210 CD1 TYR A 13 9.753 -9.733 -14.582 1.00 0.00 C ATOM 211 CD2 TYR A 13 8.933 -8.173 -12.912 1.00 0.00 C ATOM 212 CE1 TYR A 13 10.432 -10.442 -13.578 1.00 0.00 C ATOM 213 CE2 TYR A 13 9.690 -8.824 -11.929 1.00 0.00 C ATOM 214 CZ TYR A 13 10.454 -9.951 -12.263 1.00 0.00 C ATOM 215 OH TYR A 13 11.146 -10.611 -11.296 1.00 0.00 O ATOM 0 H TYR A 13 8.929 -5.610 -14.533 1.00 0.00 H new ATOM 0 HA TYR A 13 10.138 -7.437 -16.282 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.478 -7.238 -14.876 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.782 -8.551 -15.996 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.798 -10.071 -15.607 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.285 -7.354 -12.638 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.938 -11.366 -13.818 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.685 -8.457 -10.913 1.00 0.00 H new ATOM 0 HH TYR A 13 10.945 -10.215 -10.422 1.00 0.00 H new ATOM 225 N ALA A 14 7.472 -6.021 -17.632 1.00 0.00 N ATOM 226 CA ALA A 14 6.800 -5.619 -18.857 1.00 0.00 C ATOM 227 C ALA A 14 7.777 -5.040 -19.880 1.00 0.00 C ATOM 228 O ALA A 14 7.881 -5.537 -20.999 1.00 0.00 O ATOM 229 CB ALA A 14 5.715 -4.605 -18.491 1.00 0.00 C ATOM 0 H ALA A 14 6.949 -5.756 -16.798 1.00 0.00 H new ATOM 0 HA ALA A 14 6.352 -6.494 -19.329 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.195 -4.287 -19.394 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.003 -5.065 -17.805 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.173 -3.739 -18.012 1.00 0.00 H new ATOM 235 N ALA A 15 8.533 -4.018 -19.472 1.00 0.00 N ATOM 236 CA ALA A 15 9.520 -3.343 -20.303 1.00 0.00 C ATOM 237 C ALA A 15 10.510 -4.294 -20.987 1.00 0.00 C ATOM 238 O ALA A 15 11.023 -3.956 -22.053 1.00 0.00 O ATOM 239 CB ALA A 15 10.264 -2.294 -19.474 1.00 0.00 C ATOM 0 H ALA A 15 8.470 -3.631 -18.530 1.00 0.00 H new ATOM 0 HA ALA A 15 8.970 -2.861 -21.111 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.001 -1.792 -20.100 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.553 -1.561 -19.092 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.768 -2.781 -18.639 1.00 0.00 H new ATOM 245 N LYS A 16 10.783 -5.481 -20.429 1.00 0.00 N ATOM 246 CA LYS A 16 11.649 -6.447 -21.104 1.00 0.00 C ATOM 247 C LYS A 16 11.075 -6.818 -22.476 1.00 0.00 C ATOM 248 O LYS A 16 11.826 -7.066 -23.417 1.00 0.00 O ATOM 249 CB LYS A 16 11.856 -7.699 -20.244 1.00 0.00 C ATOM 250 CG LYS A 16 12.566 -7.361 -18.925 1.00 0.00 C ATOM 251 CD LYS A 16 12.578 -8.548 -17.955 1.00 0.00 C ATOM 252 CE LYS A 16 13.291 -9.774 -18.536 1.00 0.00 C ATOM 253 NZ LYS A 16 13.389 -10.848 -17.537 1.00 0.00 N ATOM 0 H LYS A 16 10.422 -5.789 -19.526 1.00 0.00 H new ATOM 0 HA LYS A 16 12.623 -5.981 -21.253 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.891 -8.160 -20.032 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.444 -8.430 -20.799 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.591 -7.054 -19.134 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.069 -6.513 -18.453 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.070 -8.251 -17.029 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.552 -8.815 -17.700 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.749 -10.134 -19.410 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.289 -9.493 -18.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.536 -11.758 -18.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.190 -10.659 -16.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.510 -10.888 -16.983 1.00 0.00 H new ATOM 267 N GLU A 17 9.745 -6.815 -22.599 1.00 0.00 N ATOM 268 CA GLU A 17 9.031 -7.037 -23.846 1.00 0.00 C ATOM 269 C GLU A 17 8.750 -5.709 -24.562 1.00 0.00 C ATOM 270 O GLU A 17 7.788 -5.610 -25.323 1.00 0.00 O ATOM 271 CB GLU A 17 7.726 -7.786 -23.545 1.00 0.00 C ATOM 272 CG GLU A 17 7.979 -9.013 -22.660 1.00 0.00 C ATOM 273 CD GLU A 17 6.746 -9.899 -22.572 1.00 0.00 C ATOM 274 OE1 GLU A 17 5.787 -9.489 -21.880 1.00 0.00 O ATOM 275 OE2 GLU A 17 6.776 -10.982 -23.197 1.00 0.00 O ATOM 0 H GLU A 17 9.123 -6.653 -21.807 1.00 0.00 H new ATOM 0 HA GLU A 17 9.648 -7.639 -24.513 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.025 -7.115 -23.048 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.260 -8.099 -24.479 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.813 -9.587 -23.062 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.268 -8.689 -21.660 1.00 0.00 H new ATOM 282 N GLY A 18 9.560 -4.674 -24.321 1.00 0.00 N ATOM 283 CA GLY A 18 9.400 -3.368 -24.937 1.00 0.00 C ATOM 284 C GLY A 18 8.261 -2.592 -24.282 1.00 0.00 C ATOM 285 O GLY A 18 8.490 -1.546 -23.680 1.00 0.00 O ATOM 0 H GLY A 18 10.354 -4.728 -23.683 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.328 -2.803 -24.848 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.200 -3.486 -26.002 1.00 0.00 H new ATOM 289 N ASP A 19 7.031 -3.093 -24.412 1.00 0.00 N ATOM 290 CA ASP A 19 5.837 -2.449 -23.878 1.00 0.00 C ATOM 291 C ASP A 19 5.959 -2.315 -22.351 1.00 0.00 C ATOM 292 O ASP A 19 5.927 -3.330 -21.661 1.00 0.00 O ATOM 293 CB ASP A 19 4.598 -3.269 -24.270 1.00 0.00 C ATOM 294 CG ASP A 19 3.282 -2.590 -23.887 1.00 0.00 C ATOM 295 OD1 ASP A 19 3.273 -1.871 -22.866 1.00 0.00 O ATOM 296 OD2 ASP A 19 2.296 -2.813 -24.620 1.00 0.00 O ATOM 0 H ASP A 19 6.837 -3.969 -24.898 1.00 0.00 H new ATOM 0 HA ASP A 19 5.733 -1.448 -24.297 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.610 -3.443 -25.346 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.649 -4.246 -23.789 1.00 0.00 H new ATOM 301 N PRO A 20 6.055 -1.098 -21.792 1.00 0.00 N ATOM 302 CA PRO A 20 6.231 -0.915 -20.361 1.00 0.00 C ATOM 303 C PRO A 20 4.947 -1.210 -19.579 1.00 0.00 C ATOM 304 O PRO A 20 5.004 -1.431 -18.374 1.00 0.00 O ATOM 305 CB PRO A 20 6.654 0.548 -20.201 1.00 0.00 C ATOM 306 CG PRO A 20 5.940 1.240 -21.363 1.00 0.00 C ATOM 307 CD PRO A 20 5.996 0.188 -22.472 1.00 0.00 C ATOM 0 HA PRO A 20 6.972 -1.606 -19.960 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.346 0.955 -19.238 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.736 0.665 -20.265 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.914 1.504 -21.107 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.443 2.162 -21.655 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.119 0.251 -23.116 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.869 0.335 -23.108 1.00 0.00 H new ATOM 315 N ASN A 21 3.779 -1.182 -20.233 1.00 0.00 N ATOM 316 CA ASN A 21 2.491 -1.273 -19.558 1.00 0.00 C ATOM 317 C ASN A 21 1.854 -2.661 -19.687 1.00 0.00 C ATOM 318 O ASN A 21 0.648 -2.771 -19.439 1.00 0.00 O ATOM 319 CB ASN A 21 1.548 -0.159 -20.050 1.00 0.00 C ATOM 320 CG ASN A 21 1.066 -0.330 -21.490 1.00 0.00 C ATOM 321 OD1 ASN A 21 1.463 0.425 -22.370 1.00 0.00 O ATOM 322 ND2 ASN A 21 0.191 -1.299 -21.741 1.00 0.00 N ATOM 0 H ASN A 21 3.707 -1.095 -21.247 1.00 0.00 H new ATOM 0 HA ASN A 21 2.668 -1.126 -18.493 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.680 -0.117 -19.392 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.061 0.799 -19.963 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.168 -1.429 -22.687 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.121 -1.912 -20.988 1.00 0.00 H new ATOM 329 N GLN A 22 2.607 -3.709 -20.067 1.00 0.00 N ATOM 330 CA GLN A 22 2.008 -4.992 -20.438 1.00 0.00 C ATOM 331 C GLN A 22 2.939 -6.204 -20.256 1.00 0.00 C ATOM 332 O GLN A 22 4.124 -6.111 -20.553 1.00 0.00 O ATOM 333 CB GLN A 22 1.525 -4.859 -21.882 1.00 0.00 C ATOM 334 CG GLN A 22 0.666 -6.042 -22.304 1.00 0.00 C ATOM 335 CD GLN A 22 0.012 -5.760 -23.651 1.00 0.00 C ATOM 336 OE1 GLN A 22 0.506 -6.192 -24.685 1.00 0.00 O ATOM 337 NE2 GLN A 22 -1.108 -5.043 -23.656 1.00 0.00 N ATOM 0 H GLN A 22 3.625 -3.688 -20.123 1.00 0.00 H new ATOM 0 HA GLN A 22 1.181 -5.201 -19.759 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.952 -3.938 -21.990 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.385 -4.779 -22.547 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.279 -6.941 -22.370 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.100 -6.232 -21.552 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.496 -4.697 -22.778 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.579 -4.840 -24.537 1.00 0.00 H new ATOM 346 N LEU A 23 2.391 -7.346 -19.803 1.00 0.00 N ATOM 347 CA LEU A 23 3.103 -8.608 -19.587 1.00 0.00 C ATOM 348 C LEU A 23 2.485 -9.703 -20.464 1.00 0.00 C ATOM 349 O LEU A 23 1.264 -9.838 -20.491 1.00 0.00 O ATOM 350 CB LEU A 23 2.916 -9.072 -18.130 1.00 0.00 C ATOM 351 CG LEU A 23 3.488 -8.165 -17.036 1.00 0.00 C ATOM 352 CD1 LEU A 23 3.003 -8.672 -15.680 1.00 0.00 C ATOM 353 CD2 LEU A 23 5.006 -8.180 -16.945 1.00 0.00 C ATOM 0 H LEU A 23 1.400 -7.412 -19.570 1.00 0.00 H new ATOM 0 HA LEU A 23 4.155 -8.448 -19.823 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.848 -9.193 -17.947 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.371 -10.057 -18.026 1.00 0.00 H new ATOM 0 HG LEU A 23 3.157 -7.158 -17.288 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.402 -8.036 -14.890 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.914 -8.647 -15.651 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.346 -9.696 -15.530 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.329 -7.512 -16.147 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.348 -9.193 -16.732 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.431 -7.846 -17.892 1.00 0.00 H new ATOM 365 N SER A 24 3.290 -10.522 -21.143 1.00 0.00 N ATOM 366 CA SER A 24 2.796 -11.737 -21.788 1.00 0.00 C ATOM 367 C SER A 24 2.510 -12.796 -20.716 1.00 0.00 C ATOM 368 O SER A 24 2.881 -12.609 -19.563 1.00 0.00 O ATOM 369 CB SER A 24 3.877 -12.250 -22.742 1.00 0.00 C ATOM 370 OG SER A 24 5.025 -12.629 -22.000 1.00 0.00 O ATOM 0 H SER A 24 4.291 -10.364 -21.260 1.00 0.00 H new ATOM 0 HA SER A 24 1.879 -11.529 -22.340 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.501 -13.101 -23.310 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.137 -11.475 -23.463 1.00 0.00 H new ATOM 0 HG SER A 24 5.816 -12.185 -22.371 1.00 0.00 H new ATOM 376 N LYS A 25 1.909 -13.938 -21.071 1.00 0.00 N ATOM 377 CA LYS A 25 1.834 -15.079 -20.166 1.00 0.00 C ATOM 378 C LYS A 25 3.213 -15.512 -19.669 1.00 0.00 C ATOM 379 O LYS A 25 3.365 -15.859 -18.501 1.00 0.00 O ATOM 380 CB LYS A 25 1.031 -16.243 -20.766 1.00 0.00 C ATOM 381 CG LYS A 25 1.640 -16.991 -21.964 1.00 0.00 C ATOM 382 CD LYS A 25 1.717 -16.151 -23.247 1.00 0.00 C ATOM 383 CE LYS A 25 2.081 -17.003 -24.469 1.00 0.00 C ATOM 384 NZ LYS A 25 1.008 -17.949 -24.828 1.00 0.00 N ATOM 0 H LYS A 25 1.470 -14.091 -21.979 1.00 0.00 H new ATOM 0 HA LYS A 25 1.282 -14.748 -19.287 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.851 -16.970 -19.974 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.058 -15.857 -21.071 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.643 -17.325 -21.699 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.048 -17.885 -22.161 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.758 -15.662 -23.418 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.459 -15.363 -23.120 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.286 -16.350 -25.317 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.997 -17.556 -24.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.176 -18.317 -25.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.999 -18.738 -24.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.091 -17.460 -24.801 1.00 0.00 H new ATOM 398 N GLU A 26 4.224 -15.468 -20.540 1.00 0.00 N ATOM 399 CA GLU A 26 5.587 -15.793 -20.156 1.00 0.00 C ATOM 400 C GLU A 26 6.053 -14.817 -19.076 1.00 0.00 C ATOM 401 O GLU A 26 6.513 -15.233 -18.012 1.00 0.00 O ATOM 402 CB GLU A 26 6.493 -15.773 -21.394 1.00 0.00 C ATOM 403 CG GLU A 26 7.920 -16.233 -21.066 1.00 0.00 C ATOM 404 CD GLU A 26 8.792 -16.237 -22.316 1.00 0.00 C ATOM 405 OE1 GLU A 26 9.276 -15.141 -22.671 1.00 0.00 O ATOM 406 OE2 GLU A 26 8.944 -17.331 -22.900 1.00 0.00 O ATOM 0 H GLU A 26 4.116 -15.208 -21.520 1.00 0.00 H new ATOM 0 HA GLU A 26 5.636 -16.798 -19.737 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.071 -16.420 -22.163 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.522 -14.764 -21.806 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.356 -15.573 -20.316 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.893 -17.233 -20.633 1.00 0.00 H new ATOM 413 N GLU A 27 5.919 -13.515 -19.341 1.00 0.00 N ATOM 414 CA GLU A 27 6.360 -12.503 -18.394 1.00 0.00 C ATOM 415 C GLU A 27 5.556 -12.619 -17.089 1.00 0.00 C ATOM 416 O GLU A 27 6.123 -12.525 -16.001 1.00 0.00 O ATOM 417 CB GLU A 27 6.282 -11.112 -19.047 1.00 0.00 C ATOM 418 CG GLU A 27 7.359 -10.142 -18.528 1.00 0.00 C ATOM 419 CD GLU A 27 8.766 -10.517 -18.992 1.00 0.00 C ATOM 420 OE1 GLU A 27 8.915 -10.813 -20.197 1.00 0.00 O ATOM 421 OE2 GLU A 27 9.668 -10.512 -18.128 1.00 0.00 O ATOM 0 H GLU A 27 5.511 -13.144 -20.199 1.00 0.00 H new ATOM 0 HA GLU A 27 7.404 -12.661 -18.124 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.386 -11.217 -20.127 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.297 -10.685 -18.862 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.126 -9.133 -18.867 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.333 -10.126 -17.438 1.00 0.00 H new ATOM 428 N LEU A 28 4.242 -12.863 -17.196 1.00 0.00 N ATOM 429 CA LEU A 28 3.343 -13.024 -16.066 1.00 0.00 C ATOM 430 C LEU A 28 3.786 -14.208 -15.210 1.00 0.00 C ATOM 431 O LEU A 28 3.888 -14.087 -13.990 1.00 0.00 O ATOM 432 CB LEU A 28 1.892 -13.131 -16.565 1.00 0.00 C ATOM 433 CG LEU A 28 0.789 -13.172 -15.489 1.00 0.00 C ATOM 434 CD1 LEU A 28 0.573 -14.579 -14.917 1.00 0.00 C ATOM 435 CD2 LEU A 28 0.998 -12.141 -14.378 1.00 0.00 C ATOM 0 H LEU A 28 3.773 -12.954 -18.097 1.00 0.00 H new ATOM 0 HA LEU A 28 3.384 -12.147 -15.420 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.695 -12.283 -17.221 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.807 -14.032 -17.173 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.129 -12.892 -16.006 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.215 -14.549 -14.164 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.282 -15.257 -15.719 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.498 -14.932 -14.461 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.189 -12.220 -13.652 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.950 -12.328 -13.882 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.003 -11.139 -14.808 1.00 0.00 H new ATOM 447 N LYS A 29 4.081 -15.356 -15.824 1.00 0.00 N ATOM 448 CA LYS A 29 4.666 -16.446 -15.066 1.00 0.00 C ATOM 449 C LYS A 29 5.960 -15.973 -14.407 1.00 0.00 C ATOM 450 O LYS A 29 6.128 -16.160 -13.206 1.00 0.00 O ATOM 451 CB LYS A 29 4.914 -17.667 -15.959 1.00 0.00 C ATOM 452 CG LYS A 29 5.320 -18.876 -15.105 1.00 0.00 C ATOM 453 CD LYS A 29 5.614 -20.088 -15.995 1.00 0.00 C ATOM 454 CE LYS A 29 6.051 -21.307 -15.172 1.00 0.00 C ATOM 455 NZ LYS A 29 4.995 -21.758 -14.247 1.00 0.00 N ATOM 0 H LYS A 29 3.928 -15.546 -16.814 1.00 0.00 H new ATOM 0 HA LYS A 29 3.966 -16.751 -14.288 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.013 -17.900 -16.527 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.698 -17.444 -16.682 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.201 -18.630 -14.512 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.521 -19.118 -14.404 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.724 -20.339 -16.572 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.396 -19.833 -16.710 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.316 -22.123 -15.845 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.948 -21.058 -14.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.262 -22.676 -13.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.878 -21.059 -13.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.099 -21.858 -14.765 1.00 0.00 H new ATOM 469 N LEU A 30 6.870 -15.375 -15.183 1.00 0.00 N ATOM 470 CA LEU A 30 8.191 -15.005 -14.700 1.00 0.00 C ATOM 471 C LEU A 30 8.114 -14.169 -13.421 1.00 0.00 C ATOM 472 O LEU A 30 8.718 -14.540 -12.412 1.00 0.00 O ATOM 473 CB LEU A 30 8.996 -14.294 -15.799 1.00 0.00 C ATOM 474 CG LEU A 30 10.469 -14.075 -15.409 1.00 0.00 C ATOM 475 CD1 LEU A 30 11.253 -15.393 -15.363 1.00 0.00 C ATOM 476 CD2 LEU A 30 11.135 -13.153 -16.431 1.00 0.00 C ATOM 0 H LEU A 30 6.705 -15.137 -16.161 1.00 0.00 H new ATOM 0 HA LEU A 30 8.720 -15.923 -14.443 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.951 -14.883 -16.715 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.535 -13.331 -16.016 1.00 0.00 H new ATOM 0 HG LEU A 30 10.480 -13.630 -14.414 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.287 -15.192 -15.084 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.802 -16.059 -14.628 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.228 -15.866 -16.345 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.178 -12.998 -16.155 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.085 -13.609 -17.420 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.617 -12.194 -16.448 1.00 0.00 H new ATOM 488 N LEU A 31 7.393 -13.043 -13.428 1.00 0.00 N ATOM 489 CA LEU A 31 7.354 -12.216 -12.225 1.00 0.00 C ATOM 490 C LEU A 31 6.574 -12.879 -11.093 1.00 0.00 C ATOM 491 O LEU A 31 6.973 -12.740 -9.945 1.00 0.00 O ATOM 492 CB LEU A 31 6.976 -10.749 -12.475 1.00 0.00 C ATOM 493 CG LEU A 31 5.495 -10.378 -12.478 1.00 0.00 C ATOM 494 CD1 LEU A 31 5.320 -8.869 -12.661 1.00 0.00 C ATOM 495 CD2 LEU A 31 4.831 -11.069 -13.647 1.00 0.00 C ATOM 0 H LEU A 31 6.851 -12.696 -14.219 1.00 0.00 H new ATOM 0 HA LEU A 31 8.386 -12.152 -11.879 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.470 -10.143 -11.715 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.395 -10.456 -13.438 1.00 0.00 H new ATOM 0 HG LEU A 31 5.052 -10.682 -11.530 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.258 -8.623 -12.661 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.814 -8.344 -11.844 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.763 -8.564 -13.609 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.771 -10.815 -13.665 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.298 -10.742 -14.576 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.944 -12.148 -13.544 1.00 0.00 H new ATOM 507 N LEU A 32 5.495 -13.624 -11.356 1.00 0.00 N ATOM 508 CA LEU A 32 4.807 -14.291 -10.252 1.00 0.00 C ATOM 509 C LEU A 32 5.722 -15.333 -9.624 1.00 0.00 C ATOM 510 O LEU A 32 5.800 -15.428 -8.407 1.00 0.00 O ATOM 511 CB LEU A 32 3.451 -14.859 -10.689 1.00 0.00 C ATOM 512 CG LEU A 32 2.339 -13.820 -10.499 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.739 -12.446 -11.041 1.00 0.00 C ATOM 514 CD2 LEU A 32 1.087 -14.311 -11.219 1.00 0.00 C ATOM 0 H LEU A 32 5.095 -13.775 -12.282 1.00 0.00 H new ATOM 0 HA LEU A 32 4.577 -13.556 -9.481 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.498 -15.161 -11.735 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.222 -15.753 -10.109 1.00 0.00 H new ATOM 0 HG LEU A 32 2.153 -13.706 -9.431 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.922 -11.742 -10.885 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.627 -12.093 -10.517 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.953 -12.524 -12.107 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.286 -13.583 -11.093 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.302 -14.434 -12.280 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.777 -15.268 -10.798 1.00 0.00 H new ATOM 526 N GLN A 33 6.468 -16.066 -10.442 1.00 0.00 N ATOM 527 CA GLN A 33 7.507 -16.960 -9.974 1.00 0.00 C ATOM 528 C GLN A 33 8.532 -16.210 -9.118 1.00 0.00 C ATOM 529 O GLN A 33 8.822 -16.645 -8.008 1.00 0.00 O ATOM 530 CB GLN A 33 8.087 -17.681 -11.199 1.00 0.00 C ATOM 531 CG GLN A 33 9.431 -18.404 -11.019 1.00 0.00 C ATOM 532 CD GLN A 33 10.649 -17.479 -11.031 1.00 0.00 C ATOM 533 OE1 GLN A 33 10.614 -16.395 -11.802 1.00 0.00 O flip ATOM 534 NE2 GLN A 33 11.619 -17.729 -10.326 1.00 0.00 N flip ATOM 0 H GLN A 33 6.364 -16.053 -11.457 1.00 0.00 H new ATOM 0 HA GLN A 33 7.113 -17.722 -9.302 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.353 -18.412 -11.539 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.202 -16.949 -11.998 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.413 -18.950 -10.076 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.542 -19.143 -11.813 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.624 -18.566 -9.743 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.422 -17.100 -10.322 1.00 0.00 H new ATOM 543 N THR A 34 9.087 -15.105 -9.619 1.00 0.00 N ATOM 544 CA THR A 34 10.180 -14.435 -8.920 1.00 0.00 C ATOM 545 C THR A 34 9.677 -13.806 -7.619 1.00 0.00 C ATOM 546 O THR A 34 10.284 -13.960 -6.563 1.00 0.00 O ATOM 547 CB THR A 34 10.837 -13.372 -9.817 1.00 0.00 C ATOM 548 OG1 THR A 34 11.088 -13.868 -11.116 1.00 0.00 O ATOM 549 CG2 THR A 34 12.176 -12.920 -9.222 1.00 0.00 C ATOM 0 H THR A 34 8.802 -14.662 -10.493 1.00 0.00 H new ATOM 0 HA THR A 34 10.935 -15.182 -8.674 1.00 0.00 H new ATOM 0 HB THR A 34 10.140 -12.536 -9.875 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.095 -14.848 -11.096 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.627 -12.168 -9.870 1.00 0.00 H new ATOM 0 HG22 THR A 34 12.009 -12.494 -8.233 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.845 -13.776 -9.140 1.00 0.00 H new ATOM 557 N GLU A 35 8.581 -13.054 -7.720 1.00 0.00 N ATOM 558 CA GLU A 35 8.074 -12.202 -6.656 1.00 0.00 C ATOM 559 C GLU A 35 7.158 -12.976 -5.702 1.00 0.00 C ATOM 560 O GLU A 35 7.187 -12.732 -4.498 1.00 0.00 O ATOM 561 CB GLU A 35 7.360 -10.985 -7.269 1.00 0.00 C ATOM 562 CG GLU A 35 8.179 -10.246 -8.343 1.00 0.00 C ATOM 563 CD GLU A 35 9.566 -9.805 -7.891 1.00 0.00 C ATOM 564 OE1 GLU A 35 9.666 -9.292 -6.756 1.00 0.00 O ATOM 565 OE2 GLU A 35 10.499 -9.969 -8.710 1.00 0.00 O ATOM 0 H GLU A 35 8.011 -13.023 -8.565 1.00 0.00 H new ATOM 0 HA GLU A 35 8.914 -11.849 -6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.419 -11.314 -7.709 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.112 -10.284 -6.472 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.284 -10.895 -9.212 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.620 -9.368 -8.667 1.00 0.00 H new ATOM 572 N PHE A 36 6.344 -13.901 -6.225 1.00 0.00 N ATOM 573 CA PHE A 36 5.345 -14.645 -5.459 1.00 0.00 C ATOM 574 C PHE A 36 5.507 -16.165 -5.640 1.00 0.00 C ATOM 575 O PHE A 36 4.571 -16.814 -6.124 1.00 0.00 O ATOM 576 CB PHE A 36 3.953 -14.177 -5.910 1.00 0.00 C ATOM 577 CG PHE A 36 3.716 -12.681 -5.763 1.00 0.00 C ATOM 578 CD1 PHE A 36 3.895 -12.068 -4.507 1.00 0.00 C ATOM 579 CD2 PHE A 36 3.380 -11.891 -6.881 1.00 0.00 C ATOM 580 CE1 PHE A 36 3.805 -10.673 -4.384 1.00 0.00 C ATOM 581 CE2 PHE A 36 3.264 -10.494 -6.751 1.00 0.00 C ATOM 582 CZ PHE A 36 3.521 -9.887 -5.511 1.00 0.00 C ATOM 0 H PHE A 36 6.364 -14.156 -7.212 1.00 0.00 H new ATOM 0 HA PHE A 36 5.479 -14.447 -4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.810 -14.455 -6.954 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.198 -14.711 -5.332 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.102 -12.673 -3.637 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.211 -12.359 -7.840 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.954 -10.205 -3.422 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.979 -9.892 -7.601 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.500 -8.811 -5.425 1.00 0.00 H new ATOM 592 N PRO A 37 6.654 -16.750 -5.237 1.00 0.00 N ATOM 593 CA PRO A 37 6.994 -18.155 -5.449 1.00 0.00 C ATOM 594 C PRO A 37 6.085 -19.095 -4.644 1.00 0.00 C ATOM 595 O PRO A 37 6.500 -19.676 -3.646 1.00 0.00 O ATOM 596 CB PRO A 37 8.472 -18.284 -5.052 1.00 0.00 C ATOM 597 CG PRO A 37 8.651 -17.174 -4.019 1.00 0.00 C ATOM 598 CD PRO A 37 7.762 -16.069 -4.584 1.00 0.00 C ATOM 0 HA PRO A 37 6.840 -18.452 -6.486 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.692 -19.265 -4.632 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.133 -18.148 -5.908 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.332 -17.486 -3.025 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.691 -16.858 -3.935 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.405 -15.411 -3.792 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.311 -15.448 -5.291 1.00 0.00 H new ATOM 606 N SER A 38 4.838 -19.232 -5.099 1.00 0.00 N ATOM 607 CA SER A 38 3.734 -19.996 -4.520 1.00 0.00 C ATOM 608 C SER A 38 2.468 -19.791 -5.360 1.00 0.00 C ATOM 609 O SER A 38 1.664 -20.711 -5.500 1.00 0.00 O ATOM 610 CB SER A 38 3.436 -19.560 -3.074 1.00 0.00 C ATOM 611 OG SER A 38 4.319 -20.159 -2.149 1.00 0.00 O ATOM 0 H SER A 38 4.550 -18.768 -5.961 1.00 0.00 H new ATOM 0 HA SER A 38 4.029 -21.045 -4.515 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.513 -18.475 -2.999 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.410 -19.825 -2.820 1.00 0.00 H new ATOM 0 HG SER A 38 5.236 -20.107 -2.491 1.00 0.00 H new ATOM 617 N LEU A 39 2.255 -18.580 -5.890 1.00 0.00 N ATOM 618 CA LEU A 39 0.986 -18.223 -6.516 1.00 0.00 C ATOM 619 C LEU A 39 0.771 -19.029 -7.801 1.00 0.00 C ATOM 620 O LEU A 39 -0.313 -19.557 -8.043 1.00 0.00 O ATOM 621 CB LEU A 39 0.945 -16.705 -6.748 1.00 0.00 C ATOM 622 CG LEU A 39 -0.377 -16.185 -7.343 1.00 0.00 C ATOM 623 CD1 LEU A 39 -1.603 -16.607 -6.524 1.00 0.00 C ATOM 624 CD2 LEU A 39 -0.331 -14.654 -7.387 1.00 0.00 C ATOM 0 H LEU A 39 2.950 -17.833 -5.895 1.00 0.00 H new ATOM 0 HA LEU A 39 0.158 -18.479 -5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.125 -16.200 -5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.762 -16.430 -7.415 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.476 -16.617 -8.339 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.506 -16.212 -6.990 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.659 -17.695 -6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.517 -16.214 -5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.262 -14.274 -7.807 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.203 -14.265 -6.377 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.505 -14.333 -8.009 1.00 0.00 H new ATOM 636 N LEU A 40 1.830 -19.137 -8.604 1.00 0.00 N ATOM 637 CA LEU A 40 1.923 -19.884 -9.856 1.00 0.00 C ATOM 638 C LEU A 40 1.843 -21.411 -9.679 1.00 0.00 C ATOM 639 O LEU A 40 2.660 -22.154 -10.215 1.00 0.00 O ATOM 640 CB LEU A 40 3.170 -19.410 -10.638 1.00 0.00 C ATOM 641 CG LEU A 40 4.596 -19.559 -10.041 1.00 0.00 C ATOM 642 CD1 LEU A 40 4.783 -19.097 -8.593 1.00 0.00 C ATOM 643 CD2 LEU A 40 5.210 -20.957 -10.143 1.00 0.00 C ATOM 0 H LEU A 40 2.708 -18.670 -8.379 1.00 0.00 H new ATOM 0 HA LEU A 40 1.039 -19.661 -10.453 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.167 -19.937 -11.592 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.025 -18.352 -10.858 1.00 0.00 H new ATOM 0 HG LEU A 40 5.123 -18.870 -10.701 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.819 -19.252 -8.293 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.537 -18.038 -8.514 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.126 -19.672 -7.940 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.205 -20.951 -9.697 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.579 -21.671 -9.613 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.284 -21.246 -11.191 1.00 0.00 H new ATOM 655 N LYS A 41 0.842 -21.900 -8.943 1.00 0.00 N ATOM 656 CA LYS A 41 0.724 -23.290 -8.518 1.00 0.00 C ATOM 657 C LYS A 41 0.426 -24.259 -9.676 1.00 0.00 C ATOM 658 O LYS A 41 -0.683 -24.770 -9.815 1.00 0.00 O ATOM 659 CB LYS A 41 -0.261 -23.385 -7.340 1.00 0.00 C ATOM 660 CG LYS A 41 -1.681 -22.861 -7.625 1.00 0.00 C ATOM 661 CD LYS A 41 -2.546 -22.823 -6.355 1.00 0.00 C ATOM 662 CE LYS A 41 -2.085 -21.793 -5.313 1.00 0.00 C ATOM 663 NZ LYS A 41 -2.039 -20.426 -5.863 1.00 0.00 N ATOM 0 H LYS A 41 0.069 -21.319 -8.618 1.00 0.00 H new ATOM 0 HA LYS A 41 1.696 -23.628 -8.159 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.332 -24.428 -7.030 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.151 -22.829 -6.498 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.619 -21.860 -8.052 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.159 -23.496 -8.371 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.576 -22.603 -6.636 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.545 -23.812 -5.898 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.761 -21.816 -4.458 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.096 -22.068 -4.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.855 -19.749 -5.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.279 -20.362 -6.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.950 -20.202 -6.312 1.00 0.00 H new ATOM 677 N GLY A 42 1.448 -24.543 -10.486 1.00 0.00 N ATOM 678 CA GLY A 42 1.424 -25.516 -11.567 1.00 0.00 C ATOM 679 C GLY A 42 1.537 -24.812 -12.917 1.00 0.00 C ATOM 680 O GLY A 42 0.922 -23.771 -13.138 1.00 0.00 O ATOM 0 H GLY A 42 2.352 -24.078 -10.398 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.246 -26.222 -11.448 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.500 -26.092 -11.526 1.00 0.00 H new ATOM 684 N MET A 43 2.338 -25.377 -13.826 1.00 0.00 N ATOM 685 CA MET A 43 2.548 -24.799 -15.146 1.00 0.00 C ATOM 686 C MET A 43 1.225 -24.725 -15.910 1.00 0.00 C ATOM 687 O MET A 43 0.843 -23.659 -16.383 1.00 0.00 O ATOM 688 CB MET A 43 3.683 -25.510 -15.909 1.00 0.00 C ATOM 689 CG MET A 43 3.415 -26.937 -16.421 1.00 0.00 C ATOM 690 SD MET A 43 3.080 -28.240 -15.204 1.00 0.00 S ATOM 691 CE MET A 43 4.659 -28.306 -14.329 1.00 0.00 C ATOM 0 H MET A 43 2.853 -26.242 -13.664 1.00 0.00 H new ATOM 0 HA MET A 43 2.894 -23.771 -15.034 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.951 -24.891 -16.765 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.555 -25.546 -15.256 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.565 -26.892 -17.102 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.279 -27.246 -17.010 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.641 -29.123 -13.607 1.00 0.00 H new ATOM 0 HE2 MET A 43 5.465 -28.471 -15.044 1.00 0.00 H new ATOM 0 HE3 MET A 43 4.825 -27.364 -13.807 1.00 0.00 H new ATOM 701 N SER A 44 0.495 -25.841 -15.984 1.00 0.00 N ATOM 702 CA SER A 44 -0.806 -25.918 -16.627 1.00 0.00 C ATOM 703 C SER A 44 -1.733 -24.826 -16.089 1.00 0.00 C ATOM 704 O SER A 44 -2.372 -24.101 -16.852 1.00 0.00 O ATOM 705 CB SER A 44 -1.376 -27.317 -16.373 1.00 0.00 C ATOM 706 OG SER A 44 -0.341 -28.269 -16.538 1.00 0.00 O ATOM 0 H SER A 44 0.803 -26.729 -15.589 1.00 0.00 H new ATOM 0 HA SER A 44 -0.713 -25.754 -17.701 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.789 -27.379 -15.366 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.192 -27.523 -17.065 1.00 0.00 H new ATOM 0 HG SER A 44 -0.695 -29.168 -16.376 1.00 0.00 H new ATOM 712 N THR A 45 -1.761 -24.683 -14.763 1.00 0.00 N ATOM 713 CA THR A 45 -2.545 -23.699 -14.045 1.00 0.00 C ATOM 714 C THR A 45 -2.303 -22.273 -14.551 1.00 0.00 C ATOM 715 O THR A 45 -3.195 -21.436 -14.425 1.00 0.00 O ATOM 716 CB THR A 45 -2.222 -23.829 -12.549 1.00 0.00 C ATOM 717 OG1 THR A 45 -1.864 -25.169 -12.262 1.00 0.00 O ATOM 718 CG2 THR A 45 -3.423 -23.432 -11.687 1.00 0.00 C ATOM 0 H THR A 45 -1.213 -25.278 -14.142 1.00 0.00 H new ATOM 0 HA THR A 45 -3.604 -23.893 -14.217 1.00 0.00 H new ATOM 0 HB THR A 45 -1.395 -23.158 -12.317 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.501 -25.223 -11.353 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.164 -23.534 -10.633 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.694 -22.397 -11.895 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.267 -24.082 -11.918 1.00 0.00 H new ATOM 726 N LEU A 46 -1.134 -21.985 -15.143 1.00 0.00 N ATOM 727 CA LEU A 46 -0.880 -20.679 -15.735 1.00 0.00 C ATOM 728 C LEU A 46 -1.959 -20.351 -16.753 1.00 0.00 C ATOM 729 O LEU A 46 -2.399 -19.211 -16.808 1.00 0.00 O ATOM 730 CB LEU A 46 0.497 -20.611 -16.414 1.00 0.00 C ATOM 731 CG LEU A 46 0.832 -19.198 -16.941 1.00 0.00 C ATOM 732 CD1 LEU A 46 1.262 -18.273 -15.797 1.00 0.00 C ATOM 733 CD2 LEU A 46 1.940 -19.301 -17.992 1.00 0.00 C ATOM 0 H LEU A 46 -0.357 -22.642 -15.220 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.893 -19.949 -14.926 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.264 -20.921 -15.704 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.525 -21.319 -17.242 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.061 -18.769 -17.396 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.492 -17.285 -16.195 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.453 -18.192 -15.071 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.147 -18.683 -15.310 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.180 -18.306 -18.367 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.829 -19.743 -17.542 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.602 -19.928 -18.817 1.00 0.00 H new ATOM 745 N ASP A 47 -2.385 -21.327 -17.558 1.00 0.00 N ATOM 746 CA ASP A 47 -3.421 -21.086 -18.549 1.00 0.00 C ATOM 747 C ASP A 47 -4.659 -20.517 -17.858 1.00 0.00 C ATOM 748 O ASP A 47 -5.119 -19.427 -18.181 1.00 0.00 O ATOM 749 CB ASP A 47 -3.738 -22.391 -19.286 1.00 0.00 C ATOM 750 CG ASP A 47 -4.857 -22.206 -20.306 1.00 0.00 C ATOM 751 OD1 ASP A 47 -4.764 -21.231 -21.083 1.00 0.00 O ATOM 752 OD2 ASP A 47 -5.776 -23.052 -20.295 1.00 0.00 O ATOM 0 H ASP A 47 -2.028 -22.282 -17.539 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.078 -20.359 -19.285 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.841 -22.751 -19.791 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.026 -23.156 -18.565 1.00 0.00 H new ATOM 757 N GLU A 48 -5.154 -21.245 -16.858 1.00 0.00 N ATOM 758 CA GLU A 48 -6.369 -20.886 -16.146 1.00 0.00 C ATOM 759 C GLU A 48 -6.200 -19.524 -15.474 1.00 0.00 C ATOM 760 O GLU A 48 -7.010 -18.619 -15.664 1.00 0.00 O ATOM 761 CB GLU A 48 -6.685 -21.960 -15.102 1.00 0.00 C ATOM 762 CG GLU A 48 -6.901 -23.343 -15.733 1.00 0.00 C ATOM 763 CD GLU A 48 -7.167 -24.393 -14.661 1.00 0.00 C ATOM 764 OE1 GLU A 48 -6.172 -24.840 -14.050 1.00 0.00 O ATOM 765 OE2 GLU A 48 -8.357 -24.717 -14.462 1.00 0.00 O ATOM 0 H GLU A 48 -4.718 -22.103 -16.521 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.197 -20.822 -16.852 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.868 -22.015 -14.383 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.579 -21.673 -14.548 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.741 -23.304 -16.426 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.022 -23.624 -16.313 1.00 0.00 H new ATOM 772 N LEU A 49 -5.137 -19.392 -14.677 1.00 0.00 N ATOM 773 CA LEU A 49 -4.828 -18.182 -13.937 1.00 0.00 C ATOM 774 C LEU A 49 -4.773 -17.002 -14.905 1.00 0.00 C ATOM 775 O LEU A 49 -5.483 -16.016 -14.723 1.00 0.00 O ATOM 776 CB LEU A 49 -3.519 -18.407 -13.158 1.00 0.00 C ATOM 777 CG LEU A 49 -3.045 -17.267 -12.237 1.00 0.00 C ATOM 778 CD1 LEU A 49 -2.310 -16.158 -12.995 1.00 0.00 C ATOM 779 CD2 LEU A 49 -4.176 -16.678 -11.387 1.00 0.00 C ATOM 0 H LEU A 49 -4.460 -20.140 -14.530 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.600 -17.944 -13.205 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.637 -19.305 -12.551 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.727 -18.611 -13.879 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.331 -17.732 -11.557 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.000 -15.383 -12.295 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.431 -16.575 -13.488 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.975 -15.726 -13.743 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.781 -15.879 -10.759 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.951 -16.276 -12.040 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.602 -17.459 -10.756 1.00 0.00 H new ATOM 791 N PHE A 50 -3.953 -17.112 -15.951 1.00 0.00 N ATOM 792 CA PHE A 50 -3.788 -16.075 -16.952 1.00 0.00 C ATOM 793 C PHE A 50 -5.122 -15.725 -17.610 1.00 0.00 C ATOM 794 O PHE A 50 -5.432 -14.548 -17.747 1.00 0.00 O ATOM 795 CB PHE A 50 -2.740 -16.496 -17.987 1.00 0.00 C ATOM 796 CG PHE A 50 -2.265 -15.362 -18.868 1.00 0.00 C ATOM 797 CD1 PHE A 50 -1.304 -14.460 -18.376 1.00 0.00 C ATOM 798 CD2 PHE A 50 -2.754 -15.211 -20.177 1.00 0.00 C ATOM 799 CE1 PHE A 50 -0.822 -13.426 -19.188 1.00 0.00 C ATOM 800 CE2 PHE A 50 -2.245 -14.194 -21.002 1.00 0.00 C ATOM 801 CZ PHE A 50 -1.265 -13.311 -20.511 1.00 0.00 C ATOM 0 H PHE A 50 -3.380 -17.938 -16.123 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.429 -15.172 -16.458 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.883 -16.925 -17.469 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.159 -17.282 -18.616 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.936 -14.566 -17.366 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.520 -15.876 -20.548 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.109 -12.717 -18.794 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.606 -14.090 -22.014 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.855 -12.546 -21.154 1.00 0.00 H new ATOM 811 N GLU A 51 -5.929 -16.718 -17.998 1.00 0.00 N ATOM 812 CA GLU A 51 -7.235 -16.453 -18.597 1.00 0.00 C ATOM 813 C GLU A 51 -8.137 -15.695 -17.624 1.00 0.00 C ATOM 814 O GLU A 51 -8.812 -14.740 -18.002 1.00 0.00 O ATOM 815 CB GLU A 51 -7.897 -17.771 -19.016 1.00 0.00 C ATOM 816 CG GLU A 51 -7.205 -18.362 -20.249 1.00 0.00 C ATOM 817 CD GLU A 51 -7.673 -19.785 -20.539 1.00 0.00 C ATOM 818 OE1 GLU A 51 -7.635 -20.605 -19.595 1.00 0.00 O ATOM 819 OE2 GLU A 51 -8.075 -20.028 -21.698 1.00 0.00 O ATOM 0 H GLU A 51 -5.699 -17.708 -17.907 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.089 -15.831 -19.480 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.852 -18.483 -18.192 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.952 -17.600 -19.233 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.405 -17.731 -21.115 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.126 -18.359 -20.095 1.00 0.00 H new ATOM 826 N GLU A 52 -8.155 -16.141 -16.370 1.00 0.00 N ATOM 827 CA GLU A 52 -9.012 -15.576 -15.335 1.00 0.00 C ATOM 828 C GLU A 52 -8.623 -14.118 -15.096 1.00 0.00 C ATOM 829 O GLU A 52 -9.470 -13.234 -15.002 1.00 0.00 O ATOM 830 CB GLU A 52 -8.875 -16.410 -14.051 1.00 0.00 C ATOM 831 CG GLU A 52 -9.848 -15.951 -12.957 1.00 0.00 C ATOM 832 CD GLU A 52 -9.584 -16.683 -11.646 1.00 0.00 C ATOM 833 OE1 GLU A 52 -10.081 -17.823 -11.520 1.00 0.00 O ATOM 834 OE2 GLU A 52 -8.879 -16.090 -10.801 1.00 0.00 O ATOM 0 H GLU A 52 -7.570 -16.910 -16.043 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.055 -15.603 -15.650 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.057 -17.460 -14.280 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.853 -16.338 -13.680 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.747 -14.877 -12.804 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.874 -16.133 -13.278 1.00 0.00 H new ATOM 841 N LEU A 53 -7.319 -13.894 -14.963 1.00 0.00 N ATOM 842 CA LEU A 53 -6.699 -12.608 -14.724 1.00 0.00 C ATOM 843 C LEU A 53 -6.965 -11.675 -15.912 1.00 0.00 C ATOM 844 O LEU A 53 -7.562 -10.608 -15.771 1.00 0.00 O ATOM 845 CB LEU A 53 -5.204 -12.908 -14.538 1.00 0.00 C ATOM 846 CG LEU A 53 -4.293 -11.803 -14.001 1.00 0.00 C ATOM 847 CD1 LEU A 53 -2.860 -12.307 -14.205 1.00 0.00 C ATOM 848 CD2 LEU A 53 -4.466 -10.442 -14.676 1.00 0.00 C ATOM 0 H LEU A 53 -6.636 -14.649 -15.023 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.097 -12.098 -13.847 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.120 -13.762 -13.865 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.808 -13.223 -15.503 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.548 -11.621 -12.957 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.156 -11.559 -13.840 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.720 -13.237 -13.654 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.684 -12.483 -15.266 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.779 -9.724 -14.229 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.252 -10.534 -15.741 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.491 -10.096 -14.540 1.00 0.00 H new ATOM 860 N ASP A 54 -6.487 -12.073 -17.090 1.00 0.00 N ATOM 861 CA ASP A 54 -6.418 -11.258 -18.291 1.00 0.00 C ATOM 862 C ASP A 54 -7.763 -11.200 -19.014 1.00 0.00 C ATOM 863 O ASP A 54 -7.845 -11.501 -20.203 1.00 0.00 O ATOM 864 CB ASP A 54 -5.339 -11.843 -19.205 1.00 0.00 C ATOM 865 CG ASP A 54 -4.937 -10.896 -20.326 1.00 0.00 C ATOM 866 OD1 ASP A 54 -5.405 -9.736 -20.310 1.00 0.00 O ATOM 867 OD2 ASP A 54 -4.170 -11.358 -21.196 1.00 0.00 O ATOM 0 H ASP A 54 -6.122 -13.015 -17.234 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.166 -10.234 -18.015 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.459 -12.088 -18.610 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.702 -12.776 -19.637 1.00 0.00 H new ATOM 872 N LYS A 55 -8.810 -10.793 -18.301 1.00 0.00 N ATOM 873 CA LYS A 55 -10.173 -10.788 -18.816 1.00 0.00 C ATOM 874 C LYS A 55 -10.267 -10.025 -20.140 1.00 0.00 C ATOM 875 O LYS A 55 -10.859 -10.507 -21.102 1.00 0.00 O ATOM 876 CB LYS A 55 -11.133 -10.190 -17.778 1.00 0.00 C ATOM 877 CG LYS A 55 -11.203 -11.047 -16.508 1.00 0.00 C ATOM 878 CD LYS A 55 -12.304 -10.527 -15.574 1.00 0.00 C ATOM 879 CE LYS A 55 -12.564 -11.492 -14.410 1.00 0.00 C ATOM 880 NZ LYS A 55 -11.366 -11.690 -13.576 1.00 0.00 N ATOM 0 H LYS A 55 -8.734 -10.455 -17.342 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.463 -11.821 -19.008 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.807 -9.183 -17.519 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.129 -10.101 -18.212 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.402 -12.086 -16.773 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.242 -11.027 -15.994 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.017 -9.552 -15.181 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.224 -10.384 -16.141 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.375 -11.105 -13.793 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.894 -12.453 -14.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.608 -12.281 -12.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.627 -12.162 -14.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.015 -10.768 -13.247 1.00 0.00 H new ATOM 894 N ALA A 56 -9.694 -8.820 -20.180 1.00 0.00 N ATOM 895 CA ALA A 56 -9.770 -7.952 -21.345 1.00 0.00 C ATOM 896 C ALA A 56 -8.860 -8.440 -22.474 1.00 0.00 C ATOM 897 O ALA A 56 -9.275 -8.484 -23.628 1.00 0.00 O ATOM 898 CB ALA A 56 -9.415 -6.516 -20.945 1.00 0.00 C ATOM 0 H ALA A 56 -9.166 -8.423 -19.403 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.792 -7.977 -21.722 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.473 -5.869 -21.821 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.116 -6.165 -20.188 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.403 -6.490 -20.542 1.00 0.00 H new ATOM 904 N GLY A 57 -7.599 -8.745 -22.154 1.00 0.00 N ATOM 905 CA GLY A 57 -6.581 -9.005 -23.163 1.00 0.00 C ATOM 906 C GLY A 57 -6.631 -10.434 -23.697 1.00 0.00 C ATOM 907 O GLY A 57 -6.407 -10.646 -24.885 1.00 0.00 O ATOM 0 H GLY A 57 -7.262 -8.817 -21.194 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.710 -8.308 -23.991 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.596 -8.815 -22.737 1.00 0.00 H new ATOM 911 N ASP A 58 -6.872 -11.409 -22.812 1.00 0.00 N ATOM 912 CA ASP A 58 -6.774 -12.843 -23.075 1.00 0.00 C ATOM 913 C ASP A 58 -5.588 -13.181 -23.990 1.00 0.00 C ATOM 914 O ASP A 58 -5.738 -13.833 -25.020 1.00 0.00 O ATOM 915 CB ASP A 58 -8.114 -13.368 -23.611 1.00 0.00 C ATOM 916 CG ASP A 58 -8.139 -14.891 -23.733 1.00 0.00 C ATOM 917 OD1 ASP A 58 -7.514 -15.549 -22.871 1.00 0.00 O ATOM 918 OD2 ASP A 58 -8.802 -15.374 -24.675 1.00 0.00 O ATOM 0 H ASP A 58 -7.153 -11.207 -21.852 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.569 -13.358 -22.136 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.918 -13.047 -22.949 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.310 -12.925 -24.588 1.00 0.00 H new ATOM 923 N GLY A 59 -4.398 -12.710 -23.610 1.00 0.00 N ATOM 924 CA GLY A 59 -3.205 -12.794 -24.437 1.00 0.00 C ATOM 925 C GLY A 59 -2.048 -12.050 -23.776 1.00 0.00 C ATOM 926 O GLY A 59 -0.956 -12.602 -23.631 1.00 0.00 O ATOM 0 H GLY A 59 -4.240 -12.256 -22.710 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.934 -13.838 -24.591 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.405 -12.368 -25.420 1.00 0.00 H new ATOM 930 N GLU A 60 -2.292 -10.802 -23.360 1.00 0.00 N ATOM 931 CA GLU A 60 -1.318 -9.947 -22.701 1.00 0.00 C ATOM 932 C GLU A 60 -1.991 -9.189 -21.549 1.00 0.00 C ATOM 933 O GLU A 60 -3.014 -8.537 -21.746 1.00 0.00 O ATOM 934 CB GLU A 60 -0.705 -8.974 -23.712 1.00 0.00 C ATOM 935 CG GLU A 60 -0.100 -9.620 -24.969 1.00 0.00 C ATOM 936 CD GLU A 60 -1.137 -10.011 -26.022 1.00 0.00 C ATOM 937 OE1 GLU A 60 -2.058 -9.198 -26.253 1.00 0.00 O ATOM 938 OE2 GLU A 60 -0.992 -11.123 -26.575 1.00 0.00 O ATOM 0 H GLU A 60 -3.200 -10.353 -23.479 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.516 -10.560 -22.290 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.475 -8.267 -24.022 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.073 -8.398 -23.210 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.613 -8.927 -25.415 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.459 -10.508 -24.676 1.00 0.00 H new ATOM 945 N VAL A 61 -1.395 -9.244 -20.357 1.00 0.00 N ATOM 946 CA VAL A 61 -1.894 -8.624 -19.140 1.00 0.00 C ATOM 947 C VAL A 61 -1.362 -7.200 -19.112 1.00 0.00 C ATOM 948 O VAL A 61 -0.208 -6.963 -18.755 1.00 0.00 O ATOM 949 CB VAL A 61 -1.407 -9.418 -17.912 1.00 0.00 C ATOM 950 CG1 VAL A 61 -1.702 -8.737 -16.570 1.00 0.00 C ATOM 951 CG2 VAL A 61 -2.115 -10.771 -17.892 1.00 0.00 C ATOM 0 H VAL A 61 -0.517 -9.743 -20.213 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.984 -8.619 -19.116 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.325 -9.500 -18.014 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.328 -9.359 -15.757 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.210 -7.765 -16.539 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.778 -8.603 -16.459 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.780 -11.344 -17.028 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.192 -10.617 -17.830 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.879 -11.319 -18.804 1.00 0.00 H new ATOM 961 N SER A 62 -2.208 -6.250 -19.504 1.00 0.00 N ATOM 962 CA SER A 62 -1.917 -4.840 -19.307 1.00 0.00 C ATOM 963 C SER A 62 -1.963 -4.533 -17.808 1.00 0.00 C ATOM 964 O SER A 62 -2.632 -5.254 -17.068 1.00 0.00 O ATOM 965 CB SER A 62 -2.877 -3.989 -20.140 1.00 0.00 C ATOM 966 OG SER A 62 -2.797 -4.412 -21.490 1.00 0.00 O ATOM 0 H SER A 62 -3.101 -6.436 -19.960 1.00 0.00 H new ATOM 0 HA SER A 62 -0.915 -4.591 -19.656 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.897 -4.096 -19.769 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.617 -2.934 -20.058 1.00 0.00 H new ATOM 0 HG SER A 62 -2.876 -3.635 -22.082 1.00 0.00 H new ATOM 972 N PHE A 63 -1.272 -3.486 -17.346 1.00 0.00 N ATOM 973 CA PHE A 63 -1.267 -3.102 -15.929 1.00 0.00 C ATOM 974 C PHE A 63 -2.681 -3.087 -15.327 1.00 0.00 C ATOM 975 O PHE A 63 -2.899 -3.492 -14.186 1.00 0.00 O ATOM 976 CB PHE A 63 -0.580 -1.740 -15.755 1.00 0.00 C ATOM 977 CG PHE A 63 -0.414 -1.287 -14.313 1.00 0.00 C ATOM 978 CD1 PHE A 63 0.306 -2.081 -13.398 1.00 0.00 C ATOM 979 CD2 PHE A 63 -0.967 -0.065 -13.885 1.00 0.00 C ATOM 980 CE1 PHE A 63 0.466 -1.660 -12.066 1.00 0.00 C ATOM 981 CE2 PHE A 63 -0.798 0.361 -12.556 1.00 0.00 C ATOM 982 CZ PHE A 63 -0.085 -0.436 -11.645 1.00 0.00 C ATOM 0 H PHE A 63 -0.703 -2.883 -17.940 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.702 -3.857 -15.382 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.404 -1.783 -16.223 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.156 -0.987 -16.293 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.737 -3.017 -13.721 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.523 0.547 -14.580 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.012 -2.276 -11.366 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.217 1.303 -12.235 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.040 -0.110 -10.623 1.00 0.00 H new ATOM 992 N GLU A 64 -3.664 -2.658 -16.118 1.00 0.00 N ATOM 993 CA GLU A 64 -5.064 -2.619 -15.719 1.00 0.00 C ATOM 994 C GLU A 64 -5.574 -4.022 -15.374 1.00 0.00 C ATOM 995 O GLU A 64 -6.285 -4.198 -14.389 1.00 0.00 O ATOM 996 CB GLU A 64 -5.908 -1.981 -16.834 1.00 0.00 C ATOM 997 CG GLU A 64 -5.557 -0.505 -17.112 1.00 0.00 C ATOM 998 CD GLU A 64 -4.174 -0.284 -17.727 1.00 0.00 C ATOM 999 OE1 GLU A 64 -3.715 -1.195 -18.455 1.00 0.00 O ATOM 1000 OE2 GLU A 64 -3.579 0.772 -17.427 1.00 0.00 O ATOM 0 H GLU A 64 -3.504 -2.323 -17.068 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.156 -2.008 -14.821 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.776 -2.555 -17.751 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.962 -2.050 -16.564 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.309 -0.086 -17.781 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.617 0.051 -16.177 1.00 0.00 H new ATOM 1007 N GLU A 65 -5.189 -5.027 -16.163 1.00 0.00 N ATOM 1008 CA GLU A 65 -5.510 -6.406 -15.853 1.00 0.00 C ATOM 1009 C GLU A 65 -4.660 -6.866 -14.670 1.00 0.00 C ATOM 1010 O GLU A 65 -5.167 -7.529 -13.773 1.00 0.00 O ATOM 1011 CB GLU A 65 -5.314 -7.292 -17.089 1.00 0.00 C ATOM 1012 CG GLU A 65 -6.179 -6.850 -18.276 1.00 0.00 C ATOM 1013 CD GLU A 65 -7.662 -6.794 -17.930 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -8.285 -7.877 -17.949 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -8.147 -5.673 -17.669 1.00 0.00 O ATOM 0 H GLU A 65 -4.653 -4.903 -17.022 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.559 -6.490 -15.569 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.264 -7.273 -17.382 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.555 -8.324 -16.833 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.851 -5.867 -18.614 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.029 -7.539 -19.107 1.00 0.00 H new ATOM 1022 N PHE A 66 -3.379 -6.490 -14.627 1.00 0.00 N ATOM 1023 CA PHE A 66 -2.522 -6.832 -13.496 1.00 0.00 C ATOM 1024 C PHE A 66 -3.167 -6.412 -12.174 1.00 0.00 C ATOM 1025 O PHE A 66 -3.184 -7.185 -11.226 1.00 0.00 O ATOM 1026 CB PHE A 66 -1.126 -6.228 -13.646 1.00 0.00 C ATOM 1027 CG PHE A 66 -0.110 -6.837 -12.701 1.00 0.00 C ATOM 1028 CD1 PHE A 66 0.445 -8.101 -12.981 1.00 0.00 C ATOM 1029 CD2 PHE A 66 0.332 -6.114 -11.578 1.00 0.00 C ATOM 1030 CE1 PHE A 66 1.461 -8.620 -12.163 1.00 0.00 C ATOM 1031 CE2 PHE A 66 1.368 -6.624 -10.777 1.00 0.00 C ATOM 1032 CZ PHE A 66 1.943 -7.869 -11.079 1.00 0.00 C ATOM 0 H PHE A 66 -2.917 -5.951 -15.360 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.408 -7.916 -13.485 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.786 -6.365 -14.673 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.180 -5.154 -13.468 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.089 -8.671 -13.826 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.125 -5.167 -11.331 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.872 -9.598 -12.368 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.722 -6.058 -9.928 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.756 -8.249 -10.478 1.00 0.00 H new ATOM 1042 N GLN A 67 -3.761 -5.221 -12.116 1.00 0.00 N ATOM 1043 CA GLN A 67 -4.553 -4.782 -10.967 1.00 0.00 C ATOM 1044 C GLN A 67 -5.566 -5.845 -10.510 1.00 0.00 C ATOM 1045 O GLN A 67 -5.748 -6.041 -9.310 1.00 0.00 O ATOM 1046 CB GLN A 67 -5.269 -3.457 -11.283 1.00 0.00 C ATOM 1047 CG GLN A 67 -4.759 -2.295 -10.422 1.00 0.00 C ATOM 1048 CD GLN A 67 -3.275 -1.989 -10.607 1.00 0.00 C ATOM 1049 OE1 GLN A 67 -2.602 -1.592 -9.663 1.00 0.00 O ATOM 1050 NE2 GLN A 67 -2.745 -2.161 -11.812 1.00 0.00 N ATOM 0 H GLN A 67 -3.707 -4.532 -12.866 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.859 -4.627 -10.141 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.128 -3.214 -12.336 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.340 -3.580 -11.124 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.336 -1.401 -10.658 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.944 -2.525 -9.373 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.326 -2.493 -12.582 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.757 -1.962 -11.968 1.00 0.00 H new ATOM 1059 N VAL A 68 -6.216 -6.547 -11.444 1.00 0.00 N ATOM 1060 CA VAL A 68 -7.118 -7.645 -11.103 1.00 0.00 C ATOM 1061 C VAL A 68 -6.349 -8.753 -10.372 1.00 0.00 C ATOM 1062 O VAL A 68 -6.851 -9.313 -9.400 1.00 0.00 O ATOM 1063 CB VAL A 68 -7.859 -8.177 -12.347 1.00 0.00 C ATOM 1064 CG1 VAL A 68 -8.913 -9.220 -11.956 1.00 0.00 C ATOM 1065 CG2 VAL A 68 -8.561 -7.041 -13.107 1.00 0.00 C ATOM 0 H VAL A 68 -6.132 -6.371 -12.445 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.884 -7.266 -10.427 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.107 -8.635 -12.989 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.420 -9.578 -12.852 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.428 -10.057 -11.454 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.641 -8.767 -11.283 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.074 -7.449 -13.978 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.286 -6.559 -12.452 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.822 -6.309 -13.431 1.00 0.00 H new ATOM 1075 N LEU A 69 -5.116 -9.056 -10.800 1.00 0.00 N ATOM 1076 CA LEU A 69 -4.246 -9.935 -10.028 1.00 0.00 C ATOM 1077 C LEU A 69 -4.020 -9.323 -8.645 1.00 0.00 C ATOM 1078 O LEU A 69 -4.212 -10.000 -7.640 1.00 0.00 O ATOM 1079 CB LEU A 69 -2.900 -10.190 -10.729 1.00 0.00 C ATOM 1080 CG LEU A 69 -2.127 -11.335 -10.051 1.00 0.00 C ATOM 1081 CD1 LEU A 69 -2.474 -12.699 -10.650 1.00 0.00 C ATOM 1082 CD2 LEU A 69 -0.623 -11.073 -10.148 1.00 0.00 C ATOM 0 H LEU A 69 -4.708 -8.707 -11.667 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.738 -10.903 -9.935 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.074 -10.435 -11.777 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.299 -9.281 -10.710 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.424 -11.363 -9.003 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.904 -13.476 -10.140 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.540 -12.890 -10.526 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.225 -12.704 -11.711 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.080 -11.886 -9.667 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.331 -11.013 -11.196 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.385 -10.133 -9.650 1.00 0.00 H new ATOM 1094 N VAL A 70 -3.611 -8.051 -8.582 1.00 0.00 N ATOM 1095 CA VAL A 70 -3.293 -7.393 -7.319 1.00 0.00 C ATOM 1096 C VAL A 70 -4.456 -7.512 -6.328 1.00 0.00 C ATOM 1097 O VAL A 70 -4.243 -7.800 -5.151 1.00 0.00 O ATOM 1098 CB VAL A 70 -2.830 -5.936 -7.514 1.00 0.00 C ATOM 1099 CG1 VAL A 70 -2.458 -5.315 -6.160 1.00 0.00 C ATOM 1100 CG2 VAL A 70 -1.595 -5.852 -8.422 1.00 0.00 C ATOM 0 H VAL A 70 -3.493 -7.456 -9.402 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.442 -7.917 -6.884 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.657 -5.397 -7.976 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.132 -4.286 -6.309 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.327 -5.329 -5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.650 -5.889 -5.706 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.298 -4.810 -8.536 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.776 -6.416 -7.976 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.833 -6.271 -9.400 1.00 0.00 H new ATOM 1110 N LYS A 71 -5.688 -7.339 -6.810 1.00 0.00 N ATOM 1111 CA LYS A 71 -6.888 -7.528 -6.008 1.00 0.00 C ATOM 1112 C LYS A 71 -6.884 -8.893 -5.301 1.00 0.00 C ATOM 1113 O LYS A 71 -7.332 -8.992 -4.163 1.00 0.00 O ATOM 1114 CB LYS A 71 -8.130 -7.349 -6.897 1.00 0.00 C ATOM 1115 CG LYS A 71 -9.412 -7.068 -6.097 1.00 0.00 C ATOM 1116 CD LYS A 71 -9.752 -5.572 -6.003 1.00 0.00 C ATOM 1117 CE LYS A 71 -8.671 -4.751 -5.292 1.00 0.00 C ATOM 1118 NZ LYS A 71 -9.094 -3.352 -5.109 1.00 0.00 N ATOM 0 H LYS A 71 -5.877 -7.062 -7.773 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.911 -6.774 -5.221 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.956 -6.528 -7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.273 -8.249 -7.496 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.245 -7.595 -6.562 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.301 -7.473 -5.091 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.898 -5.175 -7.008 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.697 -5.453 -5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.452 -5.197 -4.322 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.748 -4.781 -5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.341 -2.822 -4.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.279 -2.921 -6.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.961 -3.324 -4.535 1.00 0.00 H new ATOM 1132 N LYS A 72 -6.375 -9.937 -5.964 1.00 0.00 N ATOM 1133 CA LYS A 72 -6.214 -11.254 -5.368 1.00 0.00 C ATOM 1134 C LYS A 72 -4.974 -11.291 -4.467 1.00 0.00 C ATOM 1135 O LYS A 72 -5.072 -11.723 -3.320 1.00 0.00 O ATOM 1136 CB LYS A 72 -6.163 -12.336 -6.458 1.00 0.00 C ATOM 1137 CG LYS A 72 -7.449 -12.339 -7.299 1.00 0.00 C ATOM 1138 CD LYS A 72 -7.478 -13.488 -8.318 1.00 0.00 C ATOM 1139 CE LYS A 72 -6.532 -13.231 -9.498 1.00 0.00 C ATOM 1140 NZ LYS A 72 -6.577 -14.336 -10.471 1.00 0.00 N ATOM 0 H LYS A 72 -6.064 -9.885 -6.934 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.079 -11.464 -4.739 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.303 -12.164 -7.105 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.025 -13.314 -5.997 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.312 -12.421 -6.638 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.539 -11.388 -7.824 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.198 -14.418 -7.824 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.494 -13.618 -8.689 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.807 -12.298 -9.991 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.513 -13.109 -9.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.344 -13.974 -11.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.887 -15.066 -10.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.531 -14.749 -10.483 1.00 0.00 H new ATOM 1154 N ILE A 73 -3.803 -10.856 -4.959 1.00 0.00 N ATOM 1155 CA ILE A 73 -2.564 -10.968 -4.180 1.00 0.00 C ATOM 1156 C ILE A 73 -2.676 -10.253 -2.832 1.00 0.00 C ATOM 1157 O ILE A 73 -2.033 -10.660 -1.864 1.00 0.00 O ATOM 1158 CB ILE A 73 -1.299 -10.521 -4.943 1.00 0.00 C ATOM 1159 CG1 ILE A 73 -0.990 -9.020 -4.796 1.00 0.00 C ATOM 1160 CG2 ILE A 73 -1.283 -10.998 -6.400 1.00 0.00 C ATOM 1161 CD1 ILE A 73 0.067 -8.515 -5.780 1.00 0.00 C ATOM 0 H ILE A 73 -3.690 -10.430 -5.879 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.439 -12.035 -3.996 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.470 -11.031 -4.452 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.909 -8.452 -4.940 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.651 -8.825 -3.779 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.370 -10.654 -6.886 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.320 -12.087 -6.427 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.148 -10.593 -6.925 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.234 -7.450 -5.619 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.000 -9.057 -5.622 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.279 -8.678 -6.801 1.00 0.00 H new ATOM 1173 N SER A 74 -3.454 -9.167 -2.790 1.00 0.00 N ATOM 1174 CA SER A 74 -3.862 -8.424 -1.599 1.00 0.00 C ATOM 1175 C SER A 74 -2.746 -7.545 -1.022 1.00 0.00 C ATOM 1176 O SER A 74 -2.994 -6.401 -0.650 1.00 0.00 O ATOM 1177 CB SER A 74 -4.460 -9.358 -0.539 1.00 0.00 C ATOM 1178 OG SER A 74 -5.536 -10.105 -1.079 1.00 0.00 O ATOM 0 H SER A 74 -3.839 -8.760 -3.642 1.00 0.00 H new ATOM 0 HA SER A 74 -4.644 -7.735 -1.919 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.691 -10.035 -0.168 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.808 -8.774 0.313 1.00 0.00 H new ATOM 0 HG SER A 74 -5.209 -10.665 -1.814 1.00 0.00 H new ATOM 1184 N GLN A 75 -1.528 -8.084 -0.930 1.00 0.00 N ATOM 1185 CA GLN A 75 -0.331 -7.417 -0.431 1.00 0.00 C ATOM 1186 C GLN A 75 -0.209 -5.983 -0.965 1.00 0.00 C ATOM 1187 O GLN A 75 -0.013 -5.073 -0.127 1.00 0.00 O ATOM 1188 CB GLN A 75 0.892 -8.245 -0.849 1.00 0.00 C ATOM 1189 CG GLN A 75 0.925 -9.629 -0.181 1.00 0.00 C ATOM 1190 CD GLN A 75 1.551 -10.666 -1.109 1.00 0.00 C ATOM 1191 OE1 GLN A 75 2.762 -10.850 -1.122 1.00 0.00 O ATOM 1192 NE2 GLN A 75 0.729 -11.341 -1.907 1.00 0.00 N ATOM 1193 OXT GLN A 75 -0.274 -5.822 -2.204 1.00 0.00 O ATOM 0 H GLN A 75 -1.345 -9.046 -1.217 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.394 -7.346 0.655 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.890 -8.368 -1.932 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.800 -7.700 -0.592 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.493 -9.576 0.748 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.088 -9.935 0.082 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.275 -11.164 -1.872 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.102 -12.035 -2.554 1.00 0.00 H new TER 1202 GLN A 75