USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=19 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 44 SER OG : rot 180:sc= 0.0668 USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc= 0.127 USER MOD Set 2.1: A 21 ASN : amide:sc= 0.916 K(o=2,f=-1.4!) USER MOD Set 2.2: A 22 GLN : amide:sc= 1.13 K(o=2,f=-3.6!) USER MOD Single : A 1 LYS N :NH3+ -179:sc= -0.0611 (180deg=-0.0658) USER MOD Single : A 1 LYS NZ :NH3+ -164:sc= 0.0138 (180deg=-0.0871) USER MOD Single : A 2 SER OG : rot 180:sc= 0.147 USER MOD Single : A 7 LYS NZ :NH3+ 171:sc= 0.446 (180deg=0.37) USER MOD Single : A 12 LYS NZ :NH3+ -142:sc=-0.00858 (180deg=-0.294) USER MOD Single : A 13 TYR OH : rot 180:sc= 1.21 USER MOD Single : A 16 LYS NZ :NH3+ -105:sc= -0.0839 (180deg=-1.08) USER MOD Single : A 24 SER OG : rot 180:sc= 0.573 USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= -0.258 (180deg=-0.516) USER MOD Single : A 29 LYS NZ :NH3+ 150:sc=-0.00142 (180deg=-0.119) USER MOD Single : A 33 GLN : amide:sc= -0.769 K(o=-0.77,f=-0.059) USER MOD Single : A 34 THR OG1 : rot 77:sc= 1.14 USER MOD Single : A 38 SER OG : rot 54:sc= 1.24 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -179:sc= 0 (180deg=-0.0036) USER MOD Single : A 55 LYS NZ :NH3+ -131:sc= -0.0879 (180deg=-0.979) USER MOD Single : A 62 SER OG : rot -159:sc=-0.000408 USER MOD Single : A 67 GLN : amide:sc= -0.0973 X(o=-0.097,f=-0.56) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -175:sc= -0.569 (180deg=-0.668) USER MOD Single : A 74 SER OG : rot 56:sc= 0.916 USER MOD Single : A 75 GLN : amide:sc= 0.968 K(o=0.97,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 2.629 2.725 -0.483 1.00 0.00 N ATOM 2 CA LYS A 1 3.696 2.541 -1.488 1.00 0.00 C ATOM 3 C LYS A 1 3.489 1.283 -2.336 1.00 0.00 C ATOM 4 O LYS A 1 3.828 1.271 -3.518 1.00 0.00 O ATOM 5 CB LYS A 1 5.091 2.558 -0.847 1.00 0.00 C ATOM 6 CG LYS A 1 5.280 1.495 0.248 1.00 0.00 C ATOM 7 CD LYS A 1 6.695 1.521 0.847 1.00 0.00 C ATOM 8 CE LYS A 1 7.810 1.183 -0.154 1.00 0.00 C ATOM 9 NZ LYS A 1 7.584 -0.112 -0.819 1.00 0.00 N ATOM 0 H1 LYS A 1 2.805 3.598 0.054 1.00 0.00 H new ATOM 0 H2 LYS A 1 1.709 2.792 -0.962 1.00 0.00 H new ATOM 0 H3 LYS A 1 2.622 1.914 0.168 1.00 0.00 H new ATOM 0 HA LYS A 1 3.632 3.394 -2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 1 5.840 2.404 -1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 1 5.273 3.544 -0.419 1.00 0.00 H new ATOM 0 HG2 LYS A 1 4.549 1.658 1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 1 5.082 0.508 -0.169 1.00 0.00 H new ATOM 0 HD2 LYS A 1 6.883 2.511 1.262 1.00 0.00 H new ATOM 0 HD3 LYS A 1 6.740 0.814 1.675 1.00 0.00 H new ATOM 0 HE2 LYS A 1 7.873 1.970 -0.906 1.00 0.00 H new ATOM 0 HE3 LYS A 1 8.768 1.161 0.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 8.466 -0.429 -1.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 7.282 -0.816 -0.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 6.844 -0.006 -1.542 1.00 0.00 H new ATOM 25 N SER A 2 2.936 0.221 -1.746 1.00 0.00 N ATOM 26 CA SER A 2 2.823 -1.092 -2.358 1.00 0.00 C ATOM 27 C SER A 2 2.262 -1.050 -3.786 1.00 0.00 C ATOM 28 O SER A 2 2.880 -1.633 -4.674 1.00 0.00 O ATOM 29 CB SER A 2 2.055 -2.034 -1.419 1.00 0.00 C ATOM 30 OG SER A 2 2.149 -1.539 -0.090 1.00 0.00 O ATOM 0 H SER A 2 2.546 0.258 -0.804 1.00 0.00 H new ATOM 0 HA SER A 2 3.827 -1.497 -2.488 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.010 -2.100 -1.723 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.468 -3.041 -1.476 1.00 0.00 H new ATOM 0 HG SER A 2 1.660 -2.134 0.516 1.00 0.00 H new ATOM 36 N PRO A 3 1.145 -0.353 -4.056 1.00 0.00 N ATOM 37 CA PRO A 3 0.634 -0.204 -5.413 1.00 0.00 C ATOM 38 C PRO A 3 1.709 0.298 -6.382 1.00 0.00 C ATOM 39 O PRO A 3 1.872 -0.249 -7.470 1.00 0.00 O ATOM 40 CB PRO A 3 -0.539 0.777 -5.305 1.00 0.00 C ATOM 41 CG PRO A 3 -1.023 0.582 -3.870 1.00 0.00 C ATOM 42 CD PRO A 3 0.291 0.367 -3.122 1.00 0.00 C ATOM 0 HA PRO A 3 0.316 -1.163 -5.822 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.223 1.804 -5.488 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.322 0.550 -6.029 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -1.566 1.452 -3.500 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -1.691 -0.274 -3.777 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.739 1.317 -2.830 1.00 0.00 H new ATOM 0 HD3 PRO A 3 0.135 -0.206 -2.208 1.00 0.00 H new ATOM 50 N GLU A 4 2.452 1.334 -5.980 1.00 0.00 N ATOM 51 CA GLU A 4 3.477 1.950 -6.807 1.00 0.00 C ATOM 52 C GLU A 4 4.651 0.991 -6.987 1.00 0.00 C ATOM 53 O GLU A 4 5.188 0.864 -8.085 1.00 0.00 O ATOM 54 CB GLU A 4 3.937 3.272 -6.180 1.00 0.00 C ATOM 55 CG GLU A 4 2.775 4.254 -5.981 1.00 0.00 C ATOM 56 CD GLU A 4 3.256 5.533 -5.305 1.00 0.00 C ATOM 57 OE1 GLU A 4 3.358 5.507 -4.060 1.00 0.00 O ATOM 58 OE2 GLU A 4 3.523 6.504 -6.046 1.00 0.00 O ATOM 0 H GLU A 4 2.353 1.767 -5.062 1.00 0.00 H new ATOM 0 HA GLU A 4 3.061 2.167 -7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.410 3.071 -5.218 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.693 3.731 -6.817 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.326 4.494 -6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.998 3.787 -5.375 1.00 0.00 H new ATOM 65 N GLU A 5 5.049 0.307 -5.913 1.00 0.00 N ATOM 66 CA GLU A 5 6.085 -0.712 -5.972 1.00 0.00 C ATOM 67 C GLU A 5 5.704 -1.780 -7.002 1.00 0.00 C ATOM 68 O GLU A 5 6.488 -2.101 -7.897 1.00 0.00 O ATOM 69 CB GLU A 5 6.289 -1.302 -4.571 1.00 0.00 C ATOM 70 CG GLU A 5 7.475 -2.270 -4.510 1.00 0.00 C ATOM 71 CD GLU A 5 7.642 -2.826 -3.101 1.00 0.00 C ATOM 72 OE1 GLU A 5 6.776 -3.637 -2.707 1.00 0.00 O ATOM 73 OE2 GLU A 5 8.614 -2.408 -2.434 1.00 0.00 O ATOM 0 H GLU A 5 4.659 0.448 -4.981 1.00 0.00 H new ATOM 0 HA GLU A 5 7.031 -0.277 -6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.448 -0.492 -3.859 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.382 -1.823 -4.264 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.320 -3.088 -5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.387 -1.756 -4.814 1.00 0.00 H new ATOM 80 N LEU A 6 4.491 -2.327 -6.881 1.00 0.00 N ATOM 81 CA LEU A 6 4.025 -3.389 -7.761 1.00 0.00 C ATOM 82 C LEU A 6 3.852 -2.862 -9.189 1.00 0.00 C ATOM 83 O LEU A 6 4.123 -3.594 -10.140 1.00 0.00 O ATOM 84 CB LEU A 6 2.777 -4.092 -7.204 1.00 0.00 C ATOM 85 CG LEU A 6 3.127 -5.204 -6.192 1.00 0.00 C ATOM 86 CD1 LEU A 6 3.874 -4.733 -4.939 1.00 0.00 C ATOM 87 CD2 LEU A 6 1.843 -5.912 -5.748 1.00 0.00 C ATOM 0 H LEU A 6 3.813 -2.045 -6.174 1.00 0.00 H new ATOM 0 HA LEU A 6 4.788 -4.166 -7.805 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.134 -3.356 -6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.208 -4.521 -8.028 1.00 0.00 H new ATOM 0 HG LEU A 6 3.807 -5.870 -6.724 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.074 -5.587 -4.292 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.817 -4.270 -5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.263 -4.006 -4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.089 -6.697 -5.033 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.174 -5.191 -5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.351 -6.352 -6.616 1.00 0.00 H new ATOM 99 N LYS A 7 3.448 -1.600 -9.363 1.00 0.00 N ATOM 100 CA LYS A 7 3.468 -0.949 -10.662 1.00 0.00 C ATOM 101 C LYS A 7 4.890 -0.925 -11.230 1.00 0.00 C ATOM 102 O LYS A 7 5.094 -1.340 -12.365 1.00 0.00 O ATOM 103 CB LYS A 7 2.881 0.459 -10.543 1.00 0.00 C ATOM 104 CG LYS A 7 2.570 1.061 -11.917 1.00 0.00 C ATOM 105 CD LYS A 7 1.934 2.447 -11.753 1.00 0.00 C ATOM 106 CE LYS A 7 2.934 3.540 -11.348 1.00 0.00 C ATOM 107 NZ LYS A 7 3.975 3.750 -12.371 1.00 0.00 N ATOM 0 H LYS A 7 3.101 -1.010 -8.607 1.00 0.00 H new ATOM 0 HA LYS A 7 2.851 -1.516 -11.360 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.970 0.424 -9.946 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.584 1.103 -10.014 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.485 1.139 -12.504 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.894 0.405 -12.466 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.458 2.732 -12.691 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.147 2.390 -11.001 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.399 4.475 -11.179 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.405 3.267 -10.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.534 4.593 -12.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.599 2.919 -12.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.527 3.886 -13.300 1.00 0.00 H new ATOM 121 N GLY A 8 5.871 -0.459 -10.456 1.00 0.00 N ATOM 122 CA GLY A 8 7.265 -0.403 -10.876 1.00 0.00 C ATOM 123 C GLY A 8 7.752 -1.777 -11.335 1.00 0.00 C ATOM 124 O GLY A 8 8.240 -1.929 -12.455 1.00 0.00 O ATOM 0 H GLY A 8 5.715 -0.107 -9.511 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.376 0.316 -11.687 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.884 -0.050 -10.051 1.00 0.00 H new ATOM 128 N ILE A 9 7.586 -2.777 -10.464 1.00 0.00 N ATOM 129 CA ILE A 9 7.803 -4.191 -10.758 1.00 0.00 C ATOM 130 C ILE A 9 7.175 -4.538 -12.111 1.00 0.00 C ATOM 131 O ILE A 9 7.884 -4.882 -13.058 1.00 0.00 O ATOM 132 CB ILE A 9 7.242 -5.014 -9.577 1.00 0.00 C ATOM 133 CG1 ILE A 9 8.269 -5.022 -8.432 1.00 0.00 C ATOM 134 CG2 ILE A 9 6.781 -6.436 -9.912 1.00 0.00 C ATOM 135 CD1 ILE A 9 7.700 -5.629 -7.149 1.00 0.00 C ATOM 0 H ILE A 9 7.286 -2.615 -9.502 1.00 0.00 H new ATOM 0 HA ILE A 9 8.862 -4.431 -10.853 1.00 0.00 H new ATOM 0 HB ILE A 9 6.324 -4.510 -9.277 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.149 -5.587 -8.740 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.598 -4.002 -8.234 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.407 -6.919 -9.009 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.987 -6.395 -10.657 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.621 -7.007 -10.308 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.462 -5.613 -6.370 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.836 -5.049 -6.824 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.396 -6.659 -7.337 1.00 0.00 H new ATOM 147 N PHE A 10 5.848 -4.430 -12.197 1.00 0.00 N ATOM 148 CA PHE A 10 5.090 -4.718 -13.406 1.00 0.00 C ATOM 149 C PHE A 10 5.767 -4.084 -14.626 1.00 0.00 C ATOM 150 O PHE A 10 6.074 -4.780 -15.590 1.00 0.00 O ATOM 151 CB PHE A 10 3.634 -4.257 -13.229 1.00 0.00 C ATOM 152 CG PHE A 10 2.829 -4.250 -14.510 1.00 0.00 C ATOM 153 CD1 PHE A 10 2.935 -3.155 -15.388 1.00 0.00 C ATOM 154 CD2 PHE A 10 2.091 -5.381 -14.897 1.00 0.00 C ATOM 155 CE1 PHE A 10 2.443 -3.252 -16.696 1.00 0.00 C ATOM 156 CE2 PHE A 10 1.491 -5.427 -16.165 1.00 0.00 C ATOM 157 CZ PHE A 10 1.712 -4.387 -17.079 1.00 0.00 C ATOM 0 H PHE A 10 5.265 -4.135 -11.414 1.00 0.00 H new ATOM 0 HA PHE A 10 5.072 -5.793 -13.582 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.143 -4.909 -12.507 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.631 -3.253 -12.805 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.397 -2.238 -15.053 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.985 -6.215 -14.219 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.625 -2.458 -17.405 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.861 -6.261 -16.436 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.318 -4.460 -18.082 1.00 0.00 H new ATOM 167 N GLU A 11 6.026 -2.776 -14.568 1.00 0.00 N ATOM 168 CA GLU A 11 6.632 -2.021 -15.650 1.00 0.00 C ATOM 169 C GLU A 11 7.989 -2.599 -16.058 1.00 0.00 C ATOM 170 O GLU A 11 8.215 -2.797 -17.248 1.00 0.00 O ATOM 171 CB GLU A 11 6.757 -0.538 -15.272 1.00 0.00 C ATOM 172 CG GLU A 11 5.393 0.166 -15.247 1.00 0.00 C ATOM 173 CD GLU A 11 5.512 1.595 -14.727 1.00 0.00 C ATOM 174 OE1 GLU A 11 5.787 1.740 -13.517 1.00 0.00 O ATOM 175 OE2 GLU A 11 5.316 2.519 -15.545 1.00 0.00 O ATOM 0 H GLU A 11 5.814 -2.207 -13.748 1.00 0.00 H new ATOM 0 HA GLU A 11 5.974 -2.102 -16.515 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.227 -0.452 -14.292 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.411 -0.036 -15.985 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.969 0.177 -16.251 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.704 -0.396 -14.617 1.00 0.00 H new ATOM 182 N LYS A 12 8.908 -2.854 -15.117 1.00 0.00 N ATOM 183 CA LYS A 12 10.212 -3.388 -15.511 1.00 0.00 C ATOM 184 C LYS A 12 10.063 -4.758 -16.182 1.00 0.00 C ATOM 185 O LYS A 12 10.661 -5.009 -17.227 1.00 0.00 O ATOM 186 CB LYS A 12 11.245 -3.389 -14.371 1.00 0.00 C ATOM 187 CG LYS A 12 10.826 -4.151 -13.108 1.00 0.00 C ATOM 188 CD LYS A 12 11.991 -4.382 -12.134 1.00 0.00 C ATOM 189 CE LYS A 12 12.993 -5.445 -12.611 1.00 0.00 C ATOM 190 NZ LYS A 12 12.356 -6.758 -12.832 1.00 0.00 N ATOM 0 H LYS A 12 8.779 -2.705 -14.116 1.00 0.00 H new ATOM 0 HA LYS A 12 10.622 -2.702 -16.252 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.174 -3.821 -14.745 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.461 -2.356 -14.098 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.039 -3.595 -12.599 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.402 -5.114 -13.394 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.518 -3.440 -11.982 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.590 -4.682 -11.166 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.461 -5.110 -13.537 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.788 -5.549 -11.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.001 -7.513 -12.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.472 -6.811 -12.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.146 -6.876 -13.844 1.00 0.00 H new ATOM 204 N TYR A 13 9.254 -5.649 -15.600 1.00 0.00 N ATOM 205 CA TYR A 13 9.015 -6.957 -16.194 1.00 0.00 C ATOM 206 C TYR A 13 8.428 -6.815 -17.601 1.00 0.00 C ATOM 207 O TYR A 13 8.958 -7.356 -18.568 1.00 0.00 O ATOM 208 CB TYR A 13 8.119 -7.775 -15.263 1.00 0.00 C ATOM 209 CG TYR A 13 8.890 -8.425 -14.134 1.00 0.00 C ATOM 210 CD1 TYR A 13 9.660 -9.572 -14.388 1.00 0.00 C ATOM 211 CD2 TYR A 13 8.778 -7.946 -12.819 1.00 0.00 C ATOM 212 CE1 TYR A 13 10.328 -10.217 -13.338 1.00 0.00 C ATOM 213 CE2 TYR A 13 9.527 -8.532 -11.788 1.00 0.00 C ATOM 214 CZ TYR A 13 10.301 -9.673 -12.045 1.00 0.00 C ATOM 215 OH TYR A 13 10.957 -10.303 -11.033 1.00 0.00 O ATOM 0 H TYR A 13 8.759 -5.485 -14.724 1.00 0.00 H new ATOM 0 HA TYR A 13 9.958 -7.491 -16.308 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.348 -7.127 -14.846 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.609 -8.546 -15.841 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.737 -9.958 -15.394 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.113 -7.124 -12.601 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.865 -11.135 -13.525 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.508 -8.105 -10.796 1.00 0.00 H new ATOM 0 HH TYR A 13 10.840 -9.797 -10.202 1.00 0.00 H new ATOM 225 N ALA A 14 7.339 -6.063 -17.720 1.00 0.00 N ATOM 226 CA ALA A 14 6.689 -5.736 -18.976 1.00 0.00 C ATOM 227 C ALA A 14 7.696 -5.224 -20.012 1.00 0.00 C ATOM 228 O ALA A 14 7.828 -5.775 -21.102 1.00 0.00 O ATOM 229 CB ALA A 14 5.586 -4.720 -18.674 1.00 0.00 C ATOM 0 H ALA A 14 6.871 -5.651 -16.913 1.00 0.00 H new ATOM 0 HA ALA A 14 6.247 -6.627 -19.422 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.076 -4.451 -19.599 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.870 -5.157 -17.978 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.026 -3.827 -18.230 1.00 0.00 H new ATOM 235 N ALA A 15 8.470 -4.202 -19.653 1.00 0.00 N ATOM 236 CA ALA A 15 9.570 -3.717 -20.473 1.00 0.00 C ATOM 237 C ALA A 15 10.526 -4.844 -20.881 1.00 0.00 C ATOM 238 O ALA A 15 10.993 -4.856 -22.017 1.00 0.00 O ATOM 239 CB ALA A 15 10.311 -2.592 -19.748 1.00 0.00 C ATOM 0 H ALA A 15 8.349 -3.687 -18.781 1.00 0.00 H new ATOM 0 HA ALA A 15 9.149 -3.319 -21.396 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.132 -2.237 -20.371 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.622 -1.770 -19.552 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.707 -2.966 -18.804 1.00 0.00 H new ATOM 245 N LYS A 16 10.822 -5.794 -19.986 1.00 0.00 N ATOM 246 CA LYS A 16 11.713 -6.896 -20.305 1.00 0.00 C ATOM 247 C LYS A 16 11.062 -7.855 -21.308 1.00 0.00 C ATOM 248 O LYS A 16 11.748 -8.380 -22.182 1.00 0.00 O ATOM 249 CB LYS A 16 12.126 -7.597 -19.009 1.00 0.00 C ATOM 250 CG LYS A 16 13.435 -8.369 -19.187 1.00 0.00 C ATOM 251 CD LYS A 16 13.908 -8.917 -17.837 1.00 0.00 C ATOM 252 CE LYS A 16 12.974 -9.975 -17.235 1.00 0.00 C ATOM 253 NZ LYS A 16 12.653 -11.043 -18.198 1.00 0.00 N ATOM 0 H LYS A 16 10.452 -5.814 -19.036 1.00 0.00 H new ATOM 0 HA LYS A 16 12.613 -6.515 -20.788 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.242 -6.859 -18.215 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.337 -8.281 -18.696 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.291 -9.189 -19.891 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.197 -7.715 -19.611 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.901 -9.350 -17.959 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.005 -8.090 -17.134 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.442 -10.412 -16.353 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.052 -9.497 -16.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.682 -10.915 -18.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.317 -11.001 -18.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.733 -11.968 -17.730 1.00 0.00 H new ATOM 267 N GLU A 17 9.746 -8.077 -21.196 1.00 0.00 N ATOM 268 CA GLU A 17 8.986 -8.794 -22.217 1.00 0.00 C ATOM 269 C GLU A 17 9.119 -8.065 -23.556 1.00 0.00 C ATOM 270 O GLU A 17 9.398 -8.685 -24.580 1.00 0.00 O ATOM 271 CB GLU A 17 7.515 -8.930 -21.790 1.00 0.00 C ATOM 272 CG GLU A 17 6.648 -9.678 -22.813 1.00 0.00 C ATOM 273 CD GLU A 17 5.602 -8.767 -23.456 1.00 0.00 C ATOM 274 OE1 GLU A 17 6.024 -7.831 -24.168 1.00 0.00 O ATOM 275 OE2 GLU A 17 4.401 -9.029 -23.222 1.00 0.00 O ATOM 0 H GLU A 17 9.187 -7.766 -20.402 1.00 0.00 H new ATOM 0 HA GLU A 17 9.386 -9.801 -22.333 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.469 -9.453 -20.835 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.098 -7.936 -21.630 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.287 -10.100 -23.589 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.148 -10.513 -22.322 1.00 0.00 H new ATOM 282 N GLY A 18 8.906 -6.750 -23.535 1.00 0.00 N ATOM 283 CA GLY A 18 9.022 -5.890 -24.698 1.00 0.00 C ATOM 284 C GLY A 18 7.996 -4.770 -24.598 1.00 0.00 C ATOM 285 O GLY A 18 8.350 -3.595 -24.625 1.00 0.00 O ATOM 0 H GLY A 18 8.642 -6.248 -22.687 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.028 -5.474 -24.758 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.861 -6.467 -25.609 1.00 0.00 H new ATOM 289 N ASP A 19 6.718 -5.136 -24.479 1.00 0.00 N ATOM 290 CA ASP A 19 5.637 -4.174 -24.326 1.00 0.00 C ATOM 291 C ASP A 19 5.778 -3.510 -22.953 1.00 0.00 C ATOM 292 O ASP A 19 5.493 -4.164 -21.956 1.00 0.00 O ATOM 293 CB ASP A 19 4.274 -4.879 -24.428 1.00 0.00 C ATOM 294 CG ASP A 19 4.018 -5.519 -25.789 1.00 0.00 C ATOM 295 OD1 ASP A 19 4.319 -4.853 -26.803 1.00 0.00 O ATOM 296 OD2 ASP A 19 3.505 -6.659 -25.791 1.00 0.00 O ATOM 0 H ASP A 19 6.409 -6.108 -24.487 1.00 0.00 H new ATOM 0 HA ASP A 19 5.693 -3.426 -25.117 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.213 -5.647 -23.657 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.484 -4.157 -24.221 1.00 0.00 H new ATOM 301 N PRO A 20 6.169 -2.229 -22.846 1.00 0.00 N ATOM 302 CA PRO A 20 6.418 -1.592 -21.555 1.00 0.00 C ATOM 303 C PRO A 20 5.168 -1.608 -20.671 1.00 0.00 C ATOM 304 O PRO A 20 5.258 -1.580 -19.446 1.00 0.00 O ATOM 305 CB PRO A 20 6.862 -0.165 -21.885 1.00 0.00 C ATOM 306 CG PRO A 20 6.184 0.110 -23.227 1.00 0.00 C ATOM 307 CD PRO A 20 6.248 -1.249 -23.921 1.00 0.00 C ATOM 0 HA PRO A 20 7.180 -2.123 -20.984 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.543 0.543 -21.120 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.947 -0.088 -21.959 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.157 0.451 -23.099 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.707 0.879 -23.795 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.426 -1.370 -24.626 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.173 -1.359 -24.487 1.00 0.00 H new ATOM 315 N ASN A 21 3.998 -1.646 -21.306 1.00 0.00 N ATOM 316 CA ASN A 21 2.702 -1.633 -20.662 1.00 0.00 C ATOM 317 C ASN A 21 2.124 -3.038 -20.464 1.00 0.00 C ATOM 318 O ASN A 21 0.958 -3.108 -20.076 1.00 0.00 O ATOM 319 CB ASN A 21 1.750 -0.839 -21.566 1.00 0.00 C ATOM 320 CG ASN A 21 1.500 -1.624 -22.853 1.00 0.00 C ATOM 321 OD1 ASN A 21 2.377 -1.685 -23.712 1.00 0.00 O ATOM 322 ND2 ASN A 21 0.354 -2.286 -22.951 1.00 0.00 N ATOM 0 H ASN A 21 3.933 -1.688 -22.323 1.00 0.00 H new ATOM 0 HA ASN A 21 2.814 -1.187 -19.674 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.808 -0.657 -21.049 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.180 0.135 -21.799 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.173 -2.875 -23.764 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.346 -2.206 -22.213 1.00 0.00 H new ATOM 329 N GLN A 22 2.849 -4.133 -20.762 1.00 0.00 N ATOM 330 CA GLN A 22 2.220 -5.455 -20.816 1.00 0.00 C ATOM 331 C GLN A 22 3.127 -6.651 -20.499 1.00 0.00 C ATOM 332 O GLN A 22 4.281 -6.695 -20.914 1.00 0.00 O ATOM 333 CB GLN A 22 1.544 -5.621 -22.186 1.00 0.00 C ATOM 334 CG GLN A 22 0.036 -5.762 -21.978 1.00 0.00 C ATOM 335 CD GLN A 22 -0.787 -5.478 -23.232 1.00 0.00 C ATOM 336 OE1 GLN A 22 -0.377 -4.714 -24.102 1.00 0.00 O ATOM 337 NE2 GLN A 22 -1.988 -6.039 -23.318 1.00 0.00 N ATOM 0 H GLN A 22 3.849 -4.125 -20.964 1.00 0.00 H new ATOM 0 HA GLN A 22 1.493 -5.473 -20.004 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.759 -4.760 -22.819 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.938 -6.499 -22.697 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.181 -6.773 -21.633 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.278 -5.081 -21.187 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.310 -6.671 -22.585 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.589 -5.838 -24.118 1.00 0.00 H new ATOM 346 N LEU A 23 2.568 -7.645 -19.792 1.00 0.00 N ATOM 347 CA LEU A 23 3.210 -8.910 -19.450 1.00 0.00 C ATOM 348 C LEU A 23 2.612 -10.033 -20.299 1.00 0.00 C ATOM 349 O LEU A 23 1.398 -10.218 -20.293 1.00 0.00 O ATOM 350 CB LEU A 23 2.930 -9.259 -17.977 1.00 0.00 C ATOM 351 CG LEU A 23 3.375 -8.219 -16.945 1.00 0.00 C ATOM 352 CD1 LEU A 23 2.865 -8.629 -15.565 1.00 0.00 C ATOM 353 CD2 LEU A 23 4.885 -8.110 -16.851 1.00 0.00 C ATOM 0 H LEU A 23 1.616 -7.580 -19.431 1.00 0.00 H new ATOM 0 HA LEU A 23 4.281 -8.811 -19.627 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.859 -9.422 -17.860 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.423 -10.204 -17.748 1.00 0.00 H new ATOM 0 HG LEU A 23 2.969 -7.259 -17.264 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.180 -7.891 -14.827 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.777 -8.685 -15.581 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.274 -9.604 -15.301 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.150 -7.360 -16.106 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.302 -9.074 -16.559 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.290 -7.818 -17.820 1.00 0.00 H new ATOM 365 N SER A 24 3.430 -10.829 -20.987 1.00 0.00 N ATOM 366 CA SER A 24 2.954 -12.052 -21.619 1.00 0.00 C ATOM 367 C SER A 24 2.658 -13.092 -20.535 1.00 0.00 C ATOM 368 O SER A 24 3.025 -12.889 -19.382 1.00 0.00 O ATOM 369 CB SER A 24 4.061 -12.574 -22.539 1.00 0.00 C ATOM 370 OG SER A 24 5.232 -12.833 -21.775 1.00 0.00 O ATOM 0 H SER A 24 4.425 -10.646 -21.119 1.00 0.00 H new ATOM 0 HA SER A 24 2.047 -11.861 -22.192 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.732 -13.485 -23.040 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.277 -11.842 -23.317 1.00 0.00 H new ATOM 0 HG SER A 24 5.939 -13.169 -22.364 1.00 0.00 H new ATOM 376 N LYS A 25 2.046 -14.226 -20.886 1.00 0.00 N ATOM 377 CA LYS A 25 1.957 -15.387 -20.002 1.00 0.00 C ATOM 378 C LYS A 25 3.306 -15.684 -19.353 1.00 0.00 C ATOM 379 O LYS A 25 3.379 -15.960 -18.161 1.00 0.00 O ATOM 380 CB LYS A 25 1.525 -16.623 -20.789 1.00 0.00 C ATOM 381 CG LYS A 25 0.120 -16.515 -21.393 1.00 0.00 C ATOM 382 CD LYS A 25 -0.224 -17.721 -22.280 1.00 0.00 C ATOM 383 CE LYS A 25 0.112 -17.499 -23.762 1.00 0.00 C ATOM 384 NZ LYS A 25 1.545 -17.246 -23.996 1.00 0.00 N ATOM 0 H LYS A 25 1.598 -14.363 -21.792 1.00 0.00 H new ATOM 0 HA LYS A 25 1.222 -15.154 -19.231 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.242 -16.800 -21.591 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.561 -17.491 -20.131 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.613 -16.435 -20.591 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.049 -15.601 -21.982 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.317 -18.595 -21.919 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.287 -17.942 -22.185 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.195 -18.375 -24.334 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.466 -16.655 -24.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.759 -17.372 -25.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.777 -16.273 -23.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.112 -17.914 -23.436 1.00 0.00 H new ATOM 398 N GLU A 26 4.375 -15.645 -20.147 1.00 0.00 N ATOM 399 CA GLU A 26 5.706 -15.982 -19.686 1.00 0.00 C ATOM 400 C GLU A 26 6.197 -14.928 -18.700 1.00 0.00 C ATOM 401 O GLU A 26 6.680 -15.278 -17.624 1.00 0.00 O ATOM 402 CB GLU A 26 6.653 -16.154 -20.881 1.00 0.00 C ATOM 403 CG GLU A 26 6.231 -17.342 -21.763 1.00 0.00 C ATOM 404 CD GLU A 26 5.005 -17.091 -22.645 1.00 0.00 C ATOM 405 OE1 GLU A 26 4.695 -15.902 -22.887 1.00 0.00 O ATOM 406 OE2 GLU A 26 4.379 -18.095 -23.047 1.00 0.00 O ATOM 0 H GLU A 26 4.334 -15.377 -21.130 1.00 0.00 H new ATOM 0 HA GLU A 26 5.682 -16.935 -19.157 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.660 -15.241 -21.476 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.671 -16.308 -20.522 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.070 -17.616 -22.403 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.028 -18.198 -21.120 1.00 0.00 H new ATOM 413 N GLU A 27 6.058 -13.642 -19.039 1.00 0.00 N ATOM 414 CA GLU A 27 6.461 -12.582 -18.123 1.00 0.00 C ATOM 415 C GLU A 27 5.636 -12.665 -16.830 1.00 0.00 C ATOM 416 O GLU A 27 6.177 -12.528 -15.734 1.00 0.00 O ATOM 417 CB GLU A 27 6.366 -11.210 -18.812 1.00 0.00 C ATOM 418 CG GLU A 27 7.403 -10.219 -18.247 1.00 0.00 C ATOM 419 CD GLU A 27 8.843 -10.574 -18.624 1.00 0.00 C ATOM 420 OE1 GLU A 27 9.032 -11.215 -19.680 1.00 0.00 O ATOM 421 OE2 GLU A 27 9.736 -10.209 -17.833 1.00 0.00 O ATOM 0 H GLU A 27 5.675 -13.318 -19.927 1.00 0.00 H new ATOM 0 HA GLU A 27 7.506 -12.714 -17.843 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.522 -11.329 -19.884 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.363 -10.804 -18.679 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.175 -9.217 -18.612 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.315 -10.191 -17.161 1.00 0.00 H new ATOM 428 N LEU A 28 4.330 -12.922 -16.962 1.00 0.00 N ATOM 429 CA LEU A 28 3.404 -13.086 -15.856 1.00 0.00 C ATOM 430 C LEU A 28 3.855 -14.247 -14.969 1.00 0.00 C ATOM 431 O LEU A 28 3.955 -14.104 -13.751 1.00 0.00 O ATOM 432 CB LEU A 28 1.979 -13.230 -16.422 1.00 0.00 C ATOM 433 CG LEU A 28 0.816 -13.281 -15.416 1.00 0.00 C ATOM 434 CD1 LEU A 28 0.607 -14.683 -14.830 1.00 0.00 C ATOM 435 CD2 LEU A 28 0.944 -12.221 -14.320 1.00 0.00 C ATOM 0 H LEU A 28 3.883 -13.023 -17.873 1.00 0.00 H new ATOM 0 HA LEU A 28 3.395 -12.211 -15.206 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.801 -12.395 -17.100 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.946 -14.140 -17.021 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.083 -13.041 -15.984 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.225 -14.663 -14.126 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.385 -15.384 -15.634 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.512 -15.000 -14.312 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.098 -12.300 -13.637 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.871 -12.377 -13.769 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.953 -11.229 -14.772 1.00 0.00 H new ATOM 447 N LYS A 29 4.166 -15.402 -15.557 1.00 0.00 N ATOM 448 CA LYS A 29 4.677 -16.513 -14.776 1.00 0.00 C ATOM 449 C LYS A 29 5.981 -16.109 -14.075 1.00 0.00 C ATOM 450 O LYS A 29 6.163 -16.354 -12.881 1.00 0.00 O ATOM 451 CB LYS A 29 4.869 -17.725 -15.698 1.00 0.00 C ATOM 452 CG LYS A 29 5.122 -18.995 -14.884 1.00 0.00 C ATOM 453 CD LYS A 29 5.571 -20.153 -15.784 1.00 0.00 C ATOM 454 CE LYS A 29 5.871 -21.417 -14.968 1.00 0.00 C ATOM 455 NZ LYS A 29 4.678 -21.920 -14.267 1.00 0.00 N ATOM 0 H LYS A 29 4.073 -15.585 -16.556 1.00 0.00 H new ATOM 0 HA LYS A 29 3.966 -16.786 -13.997 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.984 -17.857 -16.320 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.708 -17.546 -16.371 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.885 -18.800 -14.130 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.213 -19.276 -14.352 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.793 -20.368 -16.517 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.461 -19.859 -16.341 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.256 -22.193 -15.630 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.654 -21.201 -14.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.744 -22.953 -14.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.619 -21.484 -13.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.827 -21.679 -14.814 1.00 0.00 H new ATOM 469 N LEU A 30 6.915 -15.520 -14.823 1.00 0.00 N ATOM 470 CA LEU A 30 8.205 -15.076 -14.311 1.00 0.00 C ATOM 471 C LEU A 30 8.037 -14.210 -13.061 1.00 0.00 C ATOM 472 O LEU A 30 8.548 -14.567 -11.997 1.00 0.00 O ATOM 473 CB LEU A 30 9.013 -14.366 -15.406 1.00 0.00 C ATOM 474 CG LEU A 30 10.415 -13.940 -14.935 1.00 0.00 C ATOM 475 CD1 LEU A 30 11.306 -15.139 -14.584 1.00 0.00 C ATOM 476 CD2 LEU A 30 11.084 -13.124 -16.042 1.00 0.00 C ATOM 0 H LEU A 30 6.791 -15.337 -15.819 1.00 0.00 H new ATOM 0 HA LEU A 30 8.774 -15.955 -14.010 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.110 -15.028 -16.266 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.465 -13.486 -15.742 1.00 0.00 H new ATOM 0 HG LEU A 30 10.294 -13.347 -14.029 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.283 -14.783 -14.258 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.843 -15.714 -13.782 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.426 -15.773 -15.463 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.078 -12.817 -15.718 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.168 -13.732 -16.943 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.483 -12.240 -16.256 1.00 0.00 H new ATOM 488 N LEU A 31 7.344 -13.072 -13.164 1.00 0.00 N ATOM 489 CA LEU A 31 7.274 -12.179 -12.014 1.00 0.00 C ATOM 490 C LEU A 31 6.444 -12.768 -10.876 1.00 0.00 C ATOM 491 O LEU A 31 6.769 -12.520 -9.722 1.00 0.00 O ATOM 492 CB LEU A 31 6.945 -10.720 -12.369 1.00 0.00 C ATOM 493 CG LEU A 31 5.482 -10.276 -12.374 1.00 0.00 C ATOM 494 CD1 LEU A 31 5.402 -8.767 -12.620 1.00 0.00 C ATOM 495 CD2 LEU A 31 4.743 -10.965 -13.502 1.00 0.00 C ATOM 0 H LEU A 31 6.844 -12.760 -13.997 1.00 0.00 H new ATOM 0 HA LEU A 31 8.288 -12.109 -11.622 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.482 -10.081 -11.668 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.354 -10.521 -13.360 1.00 0.00 H new ATOM 0 HG LEU A 31 5.038 -10.532 -11.412 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.358 -8.454 -12.623 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.937 -8.241 -11.829 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.854 -8.531 -13.583 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.701 -10.646 -13.502 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.204 -10.701 -14.454 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.792 -12.045 -13.363 1.00 0.00 H new ATOM 507 N LEU A 32 5.412 -13.576 -11.149 1.00 0.00 N ATOM 508 CA LEU A 32 4.684 -14.204 -10.048 1.00 0.00 C ATOM 509 C LEU A 32 5.580 -15.191 -9.308 1.00 0.00 C ATOM 510 O LEU A 32 5.618 -15.154 -8.082 1.00 0.00 O ATOM 511 CB LEU A 32 3.336 -14.784 -10.500 1.00 0.00 C ATOM 512 CG LEU A 32 2.219 -13.731 -10.397 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.648 -12.369 -10.950 1.00 0.00 C ATOM 514 CD2 LEU A 32 0.994 -14.195 -11.176 1.00 0.00 C ATOM 0 H LEU A 32 5.075 -13.802 -12.085 1.00 0.00 H new ATOM 0 HA LEU A 32 4.416 -13.436 -9.323 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.414 -15.136 -11.528 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.084 -15.648 -9.885 1.00 0.00 H new ATOM 0 HG LEU A 32 1.991 -13.619 -9.337 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.824 -11.662 -10.854 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.508 -12.003 -10.389 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.918 -12.472 -12.001 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.208 -13.444 -11.098 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.260 -14.334 -12.224 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.637 -15.139 -10.764 1.00 0.00 H new ATOM 526 N GLN A 33 6.358 -16.016 -10.015 1.00 0.00 N ATOM 527 CA GLN A 33 7.361 -16.838 -9.346 1.00 0.00 C ATOM 528 C GLN A 33 8.310 -15.968 -8.523 1.00 0.00 C ATOM 529 O GLN A 33 8.515 -16.222 -7.339 1.00 0.00 O ATOM 530 CB GLN A 33 8.174 -17.648 -10.361 1.00 0.00 C ATOM 531 CG GLN A 33 7.362 -18.752 -11.047 1.00 0.00 C ATOM 532 CD GLN A 33 8.083 -19.243 -12.292 1.00 0.00 C ATOM 533 OE1 GLN A 33 8.526 -20.383 -12.371 1.00 0.00 O ATOM 534 NE2 GLN A 33 8.189 -18.365 -13.280 1.00 0.00 N ATOM 0 H GLN A 33 6.313 -16.129 -11.028 1.00 0.00 H new ATOM 0 HA GLN A 33 6.833 -17.525 -8.684 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.570 -16.973 -11.120 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.029 -18.097 -9.856 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.208 -19.582 -10.357 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.376 -18.374 -11.315 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.806 -17.426 -13.171 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.654 -18.629 -14.149 1.00 0.00 H new ATOM 543 N THR A 34 8.915 -14.966 -9.163 1.00 0.00 N ATOM 544 CA THR A 34 9.998 -14.207 -8.555 1.00 0.00 C ATOM 545 C THR A 34 9.506 -13.409 -7.343 1.00 0.00 C ATOM 546 O THR A 34 10.088 -13.490 -6.263 1.00 0.00 O ATOM 547 CB THR A 34 10.668 -13.315 -9.612 1.00 0.00 C ATOM 548 OG1 THR A 34 10.985 -14.080 -10.759 1.00 0.00 O ATOM 549 CG2 THR A 34 11.969 -12.710 -9.074 1.00 0.00 C ATOM 0 H THR A 34 8.669 -14.664 -10.106 1.00 0.00 H new ATOM 0 HA THR A 34 10.750 -14.900 -8.179 1.00 0.00 H new ATOM 0 HB THR A 34 9.968 -12.517 -9.862 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.171 -14.238 -11.282 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.423 -12.083 -9.841 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.752 -12.106 -8.193 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.658 -13.510 -8.804 1.00 0.00 H new ATOM 557 N GLU A 35 8.448 -12.616 -7.526 1.00 0.00 N ATOM 558 CA GLU A 35 7.927 -11.722 -6.507 1.00 0.00 C ATOM 559 C GLU A 35 7.048 -12.472 -5.505 1.00 0.00 C ATOM 560 O GLU A 35 7.087 -12.160 -4.317 1.00 0.00 O ATOM 561 CB GLU A 35 7.147 -10.575 -7.168 1.00 0.00 C ATOM 562 CG GLU A 35 7.939 -9.842 -8.266 1.00 0.00 C ATOM 563 CD GLU A 35 9.281 -9.298 -7.788 1.00 0.00 C ATOM 564 OE1 GLU A 35 9.304 -8.694 -6.695 1.00 0.00 O ATOM 565 OE2 GLU A 35 10.262 -9.485 -8.542 1.00 0.00 O ATOM 0 H GLU A 35 7.926 -12.581 -8.402 1.00 0.00 H new ATOM 0 HA GLU A 35 8.768 -11.304 -5.953 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.228 -10.973 -7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.855 -9.857 -6.402 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.109 -10.525 -9.098 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.337 -9.018 -8.648 1.00 0.00 H new ATOM 572 N PHE A 36 6.234 -13.430 -5.968 1.00 0.00 N ATOM 573 CA PHE A 36 5.201 -14.059 -5.149 1.00 0.00 C ATOM 574 C PHE A 36 5.327 -15.592 -5.168 1.00 0.00 C ATOM 575 O PHE A 36 4.387 -16.262 -5.608 1.00 0.00 O ATOM 576 CB PHE A 36 3.830 -13.606 -5.677 1.00 0.00 C ATOM 577 CG PHE A 36 3.670 -12.109 -5.894 1.00 0.00 C ATOM 578 CD1 PHE A 36 4.033 -11.190 -4.890 1.00 0.00 C ATOM 579 CD2 PHE A 36 3.169 -11.633 -7.119 1.00 0.00 C ATOM 580 CE1 PHE A 36 3.928 -9.809 -5.128 1.00 0.00 C ATOM 581 CE2 PHE A 36 3.053 -10.253 -7.354 1.00 0.00 C ATOM 582 CZ PHE A 36 3.438 -9.342 -6.360 1.00 0.00 C ATOM 0 H PHE A 36 6.277 -13.788 -6.922 1.00 0.00 H new ATOM 0 HA PHE A 36 5.317 -13.751 -4.110 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.639 -14.114 -6.622 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.064 -13.937 -4.976 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.392 -11.547 -3.936 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.871 -12.334 -7.885 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.224 -9.106 -4.364 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.668 -9.895 -8.297 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.358 -8.280 -6.541 1.00 0.00 H new ATOM 592 N PRO A 37 6.444 -16.161 -4.674 1.00 0.00 N ATOM 593 CA PRO A 37 6.760 -17.586 -4.759 1.00 0.00 C ATOM 594 C PRO A 37 5.792 -18.446 -3.932 1.00 0.00 C ATOM 595 O PRO A 37 6.139 -18.941 -2.863 1.00 0.00 O ATOM 596 CB PRO A 37 8.216 -17.712 -4.292 1.00 0.00 C ATOM 597 CG PRO A 37 8.384 -16.522 -3.349 1.00 0.00 C ATOM 598 CD PRO A 37 7.544 -15.450 -4.041 1.00 0.00 C ATOM 0 HA PRO A 37 6.644 -17.962 -5.776 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.395 -18.658 -3.782 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.913 -17.664 -5.129 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.020 -16.742 -2.345 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.428 -16.223 -3.251 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.175 -14.717 -3.323 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.134 -14.905 -4.778 1.00 0.00 H new ATOM 606 N SER A 38 4.578 -18.616 -4.456 1.00 0.00 N ATOM 607 CA SER A 38 3.430 -19.343 -3.919 1.00 0.00 C ATOM 608 C SER A 38 2.245 -19.150 -4.873 1.00 0.00 C ATOM 609 O SER A 38 1.530 -20.102 -5.182 1.00 0.00 O ATOM 610 CB SER A 38 3.047 -18.852 -2.514 1.00 0.00 C ATOM 611 OG SER A 38 3.859 -19.445 -1.521 1.00 0.00 O ATOM 0 H SER A 38 4.352 -18.204 -5.362 1.00 0.00 H new ATOM 0 HA SER A 38 3.694 -20.397 -3.835 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.145 -17.767 -2.467 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.001 -19.086 -2.318 1.00 0.00 H new ATOM 0 HG SER A 38 4.803 -19.304 -1.743 1.00 0.00 H new ATOM 617 N LEU A 39 2.045 -17.926 -5.376 1.00 0.00 N ATOM 618 CA LEU A 39 0.873 -17.554 -6.168 1.00 0.00 C ATOM 619 C LEU A 39 1.052 -17.987 -7.632 1.00 0.00 C ATOM 620 O LEU A 39 0.890 -17.187 -8.551 1.00 0.00 O ATOM 621 CB LEU A 39 0.621 -16.037 -6.045 1.00 0.00 C ATOM 622 CG LEU A 39 0.074 -15.537 -4.693 1.00 0.00 C ATOM 623 CD1 LEU A 39 -1.363 -16.014 -4.448 1.00 0.00 C ATOM 624 CD2 LEU A 39 0.946 -15.892 -3.484 1.00 0.00 C ATOM 0 H LEU A 39 2.703 -17.158 -5.241 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.004 -18.074 -5.783 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.558 -15.518 -6.247 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.080 -15.743 -6.826 1.00 0.00 H new ATOM 0 HG LEU A 39 0.090 -14.451 -4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.711 -15.640 -3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.011 -15.637 -5.239 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.389 -17.104 -4.445 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.486 -15.502 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.038 -16.975 -3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.936 -15.452 -3.607 1.00 0.00 H new ATOM 636 N LEU A 40 1.387 -19.263 -7.842 1.00 0.00 N ATOM 637 CA LEU A 40 1.607 -19.869 -9.153 1.00 0.00 C ATOM 638 C LEU A 40 1.649 -21.401 -9.079 1.00 0.00 C ATOM 639 O LEU A 40 2.153 -22.050 -9.995 1.00 0.00 O ATOM 640 CB LEU A 40 2.857 -19.278 -9.843 1.00 0.00 C ATOM 641 CG LEU A 40 4.233 -19.430 -9.161 1.00 0.00 C ATOM 642 CD1 LEU A 40 4.327 -18.814 -7.766 1.00 0.00 C ATOM 643 CD2 LEU A 40 4.766 -20.865 -9.101 1.00 0.00 C ATOM 0 H LEU A 40 1.516 -19.923 -7.075 1.00 0.00 H new ATOM 0 HA LEU A 40 0.750 -19.617 -9.777 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.929 -19.728 -10.833 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.679 -18.213 -9.989 1.00 0.00 H new ATOM 0 HG LEU A 40 4.869 -18.856 -9.834 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.329 -18.970 -7.366 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.122 -17.745 -7.826 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.597 -19.287 -7.109 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.737 -20.872 -8.605 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.068 -21.489 -8.542 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.873 -21.256 -10.113 1.00 0.00 H new ATOM 655 N LYS A 41 1.133 -21.995 -7.995 1.00 0.00 N ATOM 656 CA LYS A 41 1.233 -23.427 -7.738 1.00 0.00 C ATOM 657 C LYS A 41 0.260 -24.204 -8.636 1.00 0.00 C ATOM 658 O LYS A 41 -0.737 -24.751 -8.171 1.00 0.00 O ATOM 659 CB LYS A 41 1.005 -23.670 -6.236 1.00 0.00 C ATOM 660 CG LYS A 41 1.350 -25.109 -5.819 1.00 0.00 C ATOM 661 CD LYS A 41 1.315 -25.295 -4.296 1.00 0.00 C ATOM 662 CE LYS A 41 -0.091 -25.085 -3.718 1.00 0.00 C ATOM 663 NZ LYS A 41 -0.134 -25.419 -2.283 1.00 0.00 N ATOM 0 H LYS A 41 0.631 -21.485 -7.268 1.00 0.00 H new ATOM 0 HA LYS A 41 2.227 -23.798 -7.989 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.613 -22.972 -5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.037 -23.463 -5.991 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.646 -25.799 -6.284 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.341 -25.366 -6.192 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.663 -26.297 -4.046 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.006 -24.593 -3.830 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.395 -24.048 -3.862 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.806 -25.705 -4.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.097 -25.267 -1.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.133 -26.415 -2.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.531 -24.810 -1.765 1.00 0.00 H new ATOM 677 N GLY A 42 0.557 -24.246 -9.936 1.00 0.00 N ATOM 678 CA GLY A 42 -0.282 -24.861 -10.947 1.00 0.00 C ATOM 679 C GLY A 42 0.226 -24.443 -12.322 1.00 0.00 C ATOM 680 O GLY A 42 -0.239 -23.459 -12.890 1.00 0.00 O ATOM 0 H GLY A 42 1.412 -23.840 -10.317 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.258 -25.946 -10.849 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.319 -24.552 -10.817 1.00 0.00 H new ATOM 684 N MET A 43 1.223 -25.166 -12.842 1.00 0.00 N ATOM 685 CA MET A 43 1.895 -24.800 -14.083 1.00 0.00 C ATOM 686 C MET A 43 0.895 -24.729 -15.239 1.00 0.00 C ATOM 687 O MET A 43 0.709 -23.674 -15.840 1.00 0.00 O ATOM 688 CB MET A 43 3.037 -25.781 -14.379 1.00 0.00 C ATOM 689 CG MET A 43 4.104 -25.770 -13.275 1.00 0.00 C ATOM 690 SD MET A 43 5.664 -26.596 -13.687 1.00 0.00 S ATOM 691 CE MET A 43 5.093 -28.285 -13.974 1.00 0.00 C ATOM 0 H MET A 43 1.583 -26.018 -12.412 1.00 0.00 H new ATOM 0 HA MET A 43 2.330 -23.807 -13.969 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.633 -26.788 -14.483 1.00 0.00 H new ATOM 0 HB3 MET A 43 3.499 -25.523 -15.332 1.00 0.00 H new ATOM 0 HG2 MET A 43 4.320 -24.734 -13.013 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.687 -26.243 -12.386 1.00 0.00 H new ATOM 0 HE1 MET A 43 5.944 -28.920 -14.221 1.00 0.00 H new ATOM 0 HE2 MET A 43 4.607 -28.663 -13.074 1.00 0.00 H new ATOM 0 HE3 MET A 43 4.383 -28.293 -14.801 1.00 0.00 H new ATOM 701 N SER A 44 0.220 -25.842 -15.529 1.00 0.00 N ATOM 702 CA SER A 44 -0.853 -25.907 -16.510 1.00 0.00 C ATOM 703 C SER A 44 -1.902 -24.835 -16.207 1.00 0.00 C ATOM 704 O SER A 44 -2.316 -24.079 -17.085 1.00 0.00 O ATOM 705 CB SER A 44 -1.460 -27.313 -16.435 1.00 0.00 C ATOM 706 OG SER A 44 -1.491 -27.732 -15.079 1.00 0.00 O ATOM 0 H SER A 44 0.410 -26.737 -15.078 1.00 0.00 H new ATOM 0 HA SER A 44 -0.477 -25.719 -17.516 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.467 -27.311 -16.851 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.870 -28.010 -17.031 1.00 0.00 H new ATOM 0 HG SER A 44 -1.880 -28.630 -15.023 1.00 0.00 H new ATOM 712 N THR A 45 -2.293 -24.755 -14.935 1.00 0.00 N ATOM 713 CA THR A 45 -3.244 -23.795 -14.406 1.00 0.00 C ATOM 714 C THR A 45 -2.878 -22.342 -14.738 1.00 0.00 C ATOM 715 O THR A 45 -3.766 -21.491 -14.701 1.00 0.00 O ATOM 716 CB THR A 45 -3.377 -24.015 -12.892 1.00 0.00 C ATOM 717 OG1 THR A 45 -3.102 -25.374 -12.590 1.00 0.00 O ATOM 718 CG2 THR A 45 -4.772 -23.657 -12.375 1.00 0.00 C ATOM 0 H THR A 45 -1.936 -25.388 -14.219 1.00 0.00 H new ATOM 0 HA THR A 45 -4.206 -23.964 -14.889 1.00 0.00 H new ATOM 0 HB THR A 45 -2.662 -23.357 -12.399 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.184 -25.518 -11.624 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.817 -23.829 -11.300 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.979 -22.607 -12.583 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.515 -24.279 -12.873 1.00 0.00 H new ATOM 726 N LEU A 46 -1.621 -22.040 -15.102 1.00 0.00 N ATOM 727 CA LEU A 46 -1.253 -20.724 -15.610 1.00 0.00 C ATOM 728 C LEU A 46 -2.198 -20.326 -16.733 1.00 0.00 C ATOM 729 O LEU A 46 -2.600 -19.173 -16.800 1.00 0.00 O ATOM 730 CB LEU A 46 0.191 -20.694 -16.134 1.00 0.00 C ATOM 731 CG LEU A 46 0.635 -19.289 -16.603 1.00 0.00 C ATOM 732 CD1 LEU A 46 1.041 -18.424 -15.406 1.00 0.00 C ATOM 733 CD2 LEU A 46 1.818 -19.430 -17.564 1.00 0.00 C ATOM 0 H LEU A 46 -0.844 -22.699 -15.050 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.328 -20.020 -14.781 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.864 -21.038 -15.349 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.285 -21.394 -16.964 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.199 -18.805 -17.111 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.350 -17.439 -15.757 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.193 -18.318 -14.729 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.869 -18.898 -14.879 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.135 -18.442 -17.898 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.645 -19.923 -17.053 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.517 -20.025 -18.426 1.00 0.00 H new ATOM 745 N ASP A 47 -2.558 -21.265 -17.611 1.00 0.00 N ATOM 746 CA ASP A 47 -3.506 -20.992 -18.678 1.00 0.00 C ATOM 747 C ASP A 47 -4.784 -20.386 -18.097 1.00 0.00 C ATOM 748 O ASP A 47 -5.173 -19.276 -18.444 1.00 0.00 O ATOM 749 CB ASP A 47 -3.796 -22.293 -19.431 1.00 0.00 C ATOM 750 CG ASP A 47 -4.864 -22.098 -20.504 1.00 0.00 C ATOM 751 OD1 ASP A 47 -4.706 -21.145 -21.296 1.00 0.00 O ATOM 752 OD2 ASP A 47 -5.810 -22.914 -20.514 1.00 0.00 O ATOM 0 H ASP A 47 -2.203 -22.221 -17.599 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.086 -20.270 -19.379 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.879 -22.659 -19.893 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.124 -23.056 -18.726 1.00 0.00 H new ATOM 757 N GLU A 48 -5.410 -21.110 -17.170 1.00 0.00 N ATOM 758 CA GLU A 48 -6.688 -20.733 -16.591 1.00 0.00 C ATOM 759 C GLU A 48 -6.556 -19.404 -15.845 1.00 0.00 C ATOM 760 O GLU A 48 -7.318 -18.466 -16.079 1.00 0.00 O ATOM 761 CB GLU A 48 -7.166 -21.847 -15.653 1.00 0.00 C ATOM 762 CG GLU A 48 -7.371 -23.172 -16.401 1.00 0.00 C ATOM 763 CD GLU A 48 -7.734 -24.296 -15.437 1.00 0.00 C ATOM 764 OE1 GLU A 48 -8.928 -24.377 -15.081 1.00 0.00 O ATOM 765 OE2 GLU A 48 -6.802 -25.043 -15.063 1.00 0.00 O ATOM 0 H GLU A 48 -5.036 -21.983 -16.799 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.426 -20.600 -17.382 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.437 -21.989 -14.855 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.101 -21.548 -15.180 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.161 -23.056 -17.143 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.461 -23.432 -16.942 1.00 0.00 H new ATOM 772 N LEU A 49 -5.572 -19.333 -14.945 1.00 0.00 N ATOM 773 CA LEU A 49 -5.282 -18.146 -14.157 1.00 0.00 C ATOM 774 C LEU A 49 -5.109 -16.953 -15.094 1.00 0.00 C ATOM 775 O LEU A 49 -5.795 -15.945 -14.949 1.00 0.00 O ATOM 776 CB LEU A 49 -4.046 -18.423 -13.284 1.00 0.00 C ATOM 777 CG LEU A 49 -3.607 -17.304 -12.320 1.00 0.00 C ATOM 778 CD1 LEU A 49 -2.784 -16.208 -13.007 1.00 0.00 C ATOM 779 CD2 LEU A 49 -4.780 -16.689 -11.547 1.00 0.00 C ATOM 0 H LEU A 49 -4.948 -20.115 -14.745 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.103 -17.900 -13.484 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.240 -19.320 -12.696 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.209 -18.650 -13.944 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.957 -17.798 -11.598 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.505 -15.450 -12.275 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.883 -16.645 -13.437 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.378 -15.749 -13.797 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.409 -15.907 -10.884 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.494 -16.260 -12.250 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.272 -17.462 -10.956 1.00 0.00 H new ATOM 791 N PHE A 50 -4.214 -17.073 -16.074 1.00 0.00 N ATOM 792 CA PHE A 50 -3.950 -16.021 -17.037 1.00 0.00 C ATOM 793 C PHE A 50 -5.218 -15.627 -17.791 1.00 0.00 C ATOM 794 O PHE A 50 -5.483 -14.441 -17.933 1.00 0.00 O ATOM 795 CB PHE A 50 -2.839 -16.442 -17.998 1.00 0.00 C ATOM 796 CG PHE A 50 -2.295 -15.295 -18.820 1.00 0.00 C ATOM 797 CD1 PHE A 50 -1.215 -14.539 -18.328 1.00 0.00 C ATOM 798 CD2 PHE A 50 -2.818 -15.016 -20.096 1.00 0.00 C ATOM 799 CE1 PHE A 50 -0.625 -13.548 -19.126 1.00 0.00 C ATOM 800 CE2 PHE A 50 -2.192 -14.059 -20.910 1.00 0.00 C ATOM 801 CZ PHE A 50 -1.087 -13.336 -20.430 1.00 0.00 C ATOM 0 H PHE A 50 -3.651 -17.912 -16.217 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.611 -15.140 -16.493 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.025 -16.890 -17.428 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.220 -17.212 -18.669 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.839 -14.723 -17.332 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.697 -15.536 -20.448 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.184 -12.949 -18.735 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.561 -13.878 -21.909 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.594 -12.617 -21.067 1.00 0.00 H new ATOM 811 N GLU A 51 -6.019 -16.587 -18.264 1.00 0.00 N ATOM 812 CA GLU A 51 -7.267 -16.269 -18.954 1.00 0.00 C ATOM 813 C GLU A 51 -8.212 -15.479 -18.047 1.00 0.00 C ATOM 814 O GLU A 51 -8.847 -14.522 -18.483 1.00 0.00 O ATOM 815 CB GLU A 51 -7.941 -17.556 -19.439 1.00 0.00 C ATOM 816 CG GLU A 51 -7.167 -18.151 -20.620 1.00 0.00 C ATOM 817 CD GLU A 51 -7.651 -19.555 -20.974 1.00 0.00 C ATOM 818 OE1 GLU A 51 -7.664 -20.404 -20.056 1.00 0.00 O ATOM 819 OE2 GLU A 51 -8.013 -19.751 -22.154 1.00 0.00 O ATOM 0 H GLU A 51 -5.824 -17.585 -18.181 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.032 -15.645 -19.816 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.987 -18.279 -18.625 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.968 -17.346 -19.738 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.275 -17.501 -21.488 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.105 -18.184 -20.377 1.00 0.00 H new ATOM 826 N GLU A 52 -8.311 -15.899 -16.786 1.00 0.00 N ATOM 827 CA GLU A 52 -9.199 -15.278 -15.808 1.00 0.00 C ATOM 828 C GLU A 52 -8.747 -13.836 -15.559 1.00 0.00 C ATOM 829 O GLU A 52 -9.537 -12.896 -15.587 1.00 0.00 O ATOM 830 CB GLU A 52 -9.179 -16.108 -14.515 1.00 0.00 C ATOM 831 CG GLU A 52 -10.151 -15.573 -13.455 1.00 0.00 C ATOM 832 CD GLU A 52 -9.980 -16.320 -12.136 1.00 0.00 C ATOM 833 OE1 GLU A 52 -9.103 -15.892 -11.355 1.00 0.00 O ATOM 834 OE2 GLU A 52 -10.720 -17.308 -11.940 1.00 0.00 O ATOM 0 H GLU A 52 -7.775 -16.683 -16.414 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.223 -15.251 -16.181 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.434 -17.142 -14.747 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.168 -16.113 -14.106 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.977 -14.508 -13.300 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.177 -15.680 -13.808 1.00 0.00 H new ATOM 841 N LEU A 53 -7.454 -13.696 -15.280 1.00 0.00 N ATOM 842 CA LEU A 53 -6.769 -12.453 -14.983 1.00 0.00 C ATOM 843 C LEU A 53 -6.898 -11.494 -16.173 1.00 0.00 C ATOM 844 O LEU A 53 -7.419 -10.387 -16.056 1.00 0.00 O ATOM 845 CB LEU A 53 -5.310 -12.853 -14.696 1.00 0.00 C ATOM 846 CG LEU A 53 -4.362 -11.817 -14.085 1.00 0.00 C ATOM 847 CD1 LEU A 53 -2.951 -12.417 -14.154 1.00 0.00 C ATOM 848 CD2 LEU A 53 -4.383 -10.455 -14.779 1.00 0.00 C ATOM 0 H LEU A 53 -6.824 -14.498 -15.255 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.190 -11.924 -14.128 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.330 -13.714 -14.028 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.870 -13.188 -15.635 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.688 -11.616 -13.064 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.235 -11.713 -13.729 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.924 -13.349 -13.589 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.691 -12.616 -15.194 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.683 -9.783 -14.282 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.093 -10.574 -15.823 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.388 -10.036 -14.727 1.00 0.00 H new ATOM 860 N ASP A 54 -6.391 -11.923 -17.327 1.00 0.00 N ATOM 861 CA ASP A 54 -6.185 -11.118 -18.519 1.00 0.00 C ATOM 862 C ASP A 54 -7.469 -10.932 -19.325 1.00 0.00 C ATOM 863 O ASP A 54 -7.479 -11.142 -20.535 1.00 0.00 O ATOM 864 CB ASP A 54 -5.112 -11.794 -19.382 1.00 0.00 C ATOM 865 CG ASP A 54 -4.521 -10.854 -20.425 1.00 0.00 C ATOM 866 OD1 ASP A 54 -4.863 -9.652 -20.383 1.00 0.00 O ATOM 867 OD2 ASP A 54 -3.720 -11.347 -21.246 1.00 0.00 O ATOM 0 H ASP A 54 -6.099 -12.892 -17.458 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.863 -10.123 -18.211 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.314 -12.165 -18.739 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.546 -12.660 -19.883 1.00 0.00 H new ATOM 872 N LYS A 55 -8.552 -10.530 -18.667 1.00 0.00 N ATOM 873 CA LYS A 55 -9.842 -10.364 -19.320 1.00 0.00 C ATOM 874 C LYS A 55 -9.715 -9.361 -20.474 1.00 0.00 C ATOM 875 O LYS A 55 -9.837 -9.716 -21.647 1.00 0.00 O ATOM 876 CB LYS A 55 -10.883 -9.956 -18.268 1.00 0.00 C ATOM 877 CG LYS A 55 -12.294 -9.838 -18.857 1.00 0.00 C ATOM 878 CD LYS A 55 -13.384 -9.730 -17.780 1.00 0.00 C ATOM 879 CE LYS A 55 -13.225 -8.517 -16.850 1.00 0.00 C ATOM 880 NZ LYS A 55 -12.323 -8.793 -15.716 1.00 0.00 N ATOM 0 H LYS A 55 -8.559 -10.312 -17.671 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.180 -11.300 -19.764 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.889 -10.690 -17.463 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.595 -9.002 -17.827 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.340 -8.961 -19.503 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.494 -10.707 -19.484 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.358 -9.676 -18.267 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.378 -10.639 -17.179 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.839 -7.673 -17.421 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.203 -8.223 -16.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.777 -8.492 -14.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.122 -9.812 -15.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.434 -8.270 -15.845 1.00 0.00 H new ATOM 894 N ALA A 56 -9.433 -8.100 -20.150 1.00 0.00 N ATOM 895 CA ALA A 56 -9.227 -7.057 -21.144 1.00 0.00 C ATOM 896 C ALA A 56 -7.781 -7.097 -21.639 1.00 0.00 C ATOM 897 O ALA A 56 -7.004 -6.181 -21.375 1.00 0.00 O ATOM 898 CB ALA A 56 -9.605 -5.696 -20.557 1.00 0.00 C ATOM 0 H ALA A 56 -9.342 -7.776 -19.187 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.873 -7.227 -22.005 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.448 -4.920 -21.307 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.654 -5.707 -20.260 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.983 -5.490 -19.686 1.00 0.00 H new ATOM 904 N GLY A 57 -7.421 -8.156 -22.366 1.00 0.00 N ATOM 905 CA GLY A 57 -6.102 -8.257 -22.980 1.00 0.00 C ATOM 906 C GLY A 57 -5.877 -9.610 -23.650 1.00 0.00 C ATOM 907 O GLY A 57 -5.279 -9.670 -24.722 1.00 0.00 O ATOM 0 H GLY A 57 -8.028 -8.956 -22.543 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.986 -7.464 -23.719 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.337 -8.099 -22.220 1.00 0.00 H new ATOM 911 N ASP A 58 -6.374 -10.688 -23.036 1.00 0.00 N ATOM 912 CA ASP A 58 -6.384 -12.063 -23.533 1.00 0.00 C ATOM 913 C ASP A 58 -4.992 -12.699 -23.624 1.00 0.00 C ATOM 914 O ASP A 58 -4.751 -13.733 -23.007 1.00 0.00 O ATOM 915 CB ASP A 58 -7.149 -12.172 -24.860 1.00 0.00 C ATOM 916 CG ASP A 58 -7.222 -13.623 -25.325 1.00 0.00 C ATOM 917 OD1 ASP A 58 -8.127 -14.332 -24.834 1.00 0.00 O ATOM 918 OD2 ASP A 58 -6.371 -13.994 -26.161 1.00 0.00 O ATOM 0 H ASP A 58 -6.809 -10.616 -22.116 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.919 -12.647 -22.784 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.156 -11.773 -24.738 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.656 -11.566 -25.620 1.00 0.00 H new ATOM 923 N GLY A 59 -4.099 -12.113 -24.423 1.00 0.00 N ATOM 924 CA GLY A 59 -2.775 -12.646 -24.716 1.00 0.00 C ATOM 925 C GLY A 59 -1.681 -12.016 -23.853 1.00 0.00 C ATOM 926 O GLY A 59 -0.661 -12.657 -23.597 1.00 0.00 O ATOM 0 H GLY A 59 -4.286 -11.229 -24.896 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.779 -13.725 -24.560 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.545 -12.477 -25.768 1.00 0.00 H new ATOM 930 N GLU A 60 -1.872 -10.765 -23.422 1.00 0.00 N ATOM 931 CA GLU A 60 -0.901 -10.018 -22.639 1.00 0.00 C ATOM 932 C GLU A 60 -1.613 -9.137 -21.602 1.00 0.00 C ATOM 933 O GLU A 60 -2.542 -8.401 -21.930 1.00 0.00 O ATOM 934 CB GLU A 60 0.065 -9.248 -23.557 1.00 0.00 C ATOM 935 CG GLU A 60 -0.585 -8.625 -24.804 1.00 0.00 C ATOM 936 CD GLU A 60 -0.766 -9.621 -25.947 1.00 0.00 C ATOM 937 OE1 GLU A 60 0.266 -10.157 -26.408 1.00 0.00 O ATOM 938 OE2 GLU A 60 -1.935 -9.838 -26.335 1.00 0.00 O ATOM 0 H GLU A 60 -2.725 -10.239 -23.615 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.279 -10.710 -22.071 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.539 -8.456 -22.978 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.856 -9.926 -23.878 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.557 -8.213 -24.532 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.029 -7.793 -25.149 1.00 0.00 H new ATOM 945 N VAL A 61 -1.145 -9.201 -20.353 1.00 0.00 N ATOM 946 CA VAL A 61 -1.734 -8.614 -19.160 1.00 0.00 C ATOM 947 C VAL A 61 -1.220 -7.187 -19.024 1.00 0.00 C ATOM 948 O VAL A 61 -0.025 -6.981 -18.805 1.00 0.00 O ATOM 949 CB VAL A 61 -1.314 -9.475 -17.949 1.00 0.00 C ATOM 950 CG1 VAL A 61 -1.554 -8.822 -16.580 1.00 0.00 C ATOM 951 CG2 VAL A 61 -2.083 -10.793 -17.972 1.00 0.00 C ATOM 0 H VAL A 61 -0.282 -9.702 -20.140 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.822 -8.588 -19.217 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.238 -9.613 -18.055 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.229 -9.500 -15.791 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.988 -7.893 -16.516 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.616 -8.609 -16.460 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.787 -11.402 -17.118 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.153 -10.591 -17.921 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.859 -11.329 -18.894 1.00 0.00 H new ATOM 961 N SER A 62 -2.113 -6.206 -19.161 1.00 0.00 N ATOM 962 CA SER A 62 -1.800 -4.808 -18.916 1.00 0.00 C ATOM 963 C SER A 62 -1.820 -4.515 -17.424 1.00 0.00 C ATOM 964 O SER A 62 -2.337 -5.313 -16.646 1.00 0.00 O ATOM 965 CB SER A 62 -2.776 -3.927 -19.694 1.00 0.00 C ATOM 966 OG SER A 62 -4.090 -4.128 -19.211 1.00 0.00 O ATOM 0 H SER A 62 -3.079 -6.366 -19.447 1.00 0.00 H new ATOM 0 HA SER A 62 -0.793 -4.584 -19.268 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.497 -2.879 -19.590 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.728 -4.166 -20.756 1.00 0.00 H new ATOM 0 HG SER A 62 -4.736 -3.844 -19.891 1.00 0.00 H new ATOM 972 N PHE A 63 -1.273 -3.365 -17.012 1.00 0.00 N ATOM 973 CA PHE A 63 -1.286 -2.972 -15.608 1.00 0.00 C ATOM 974 C PHE A 63 -2.716 -2.961 -15.056 1.00 0.00 C ATOM 975 O PHE A 63 -2.950 -3.290 -13.893 1.00 0.00 O ATOM 976 CB PHE A 63 -0.596 -1.617 -15.406 1.00 0.00 C ATOM 977 CG PHE A 63 -0.459 -1.228 -13.943 1.00 0.00 C ATOM 978 CD1 PHE A 63 0.209 -2.088 -13.050 1.00 0.00 C ATOM 979 CD2 PHE A 63 -1.088 -0.070 -13.452 1.00 0.00 C ATOM 980 CE1 PHE A 63 0.176 -1.837 -11.667 1.00 0.00 C ATOM 981 CE2 PHE A 63 -1.079 0.208 -12.072 1.00 0.00 C ATOM 982 CZ PHE A 63 -0.468 -0.687 -11.178 1.00 0.00 C ATOM 0 H PHE A 63 -0.818 -2.696 -17.633 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.720 -3.714 -15.045 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.394 -1.649 -15.861 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.162 -0.846 -15.929 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.749 -2.943 -13.429 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.579 0.607 -14.135 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.645 -2.527 -10.981 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.542 1.110 -11.700 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.493 -0.492 -10.116 1.00 0.00 H new ATOM 992 N GLU A 64 -3.688 -2.602 -15.899 1.00 0.00 N ATOM 993 CA GLU A 64 -5.105 -2.681 -15.570 1.00 0.00 C ATOM 994 C GLU A 64 -5.456 -4.084 -15.082 1.00 0.00 C ATOM 995 O GLU A 64 -5.984 -4.254 -13.985 1.00 0.00 O ATOM 996 CB GLU A 64 -5.991 -2.289 -16.765 1.00 0.00 C ATOM 997 CG GLU A 64 -5.614 -0.950 -17.417 1.00 0.00 C ATOM 998 CD GLU A 64 -4.527 -1.118 -18.473 1.00 0.00 C ATOM 999 OE1 GLU A 64 -4.889 -1.493 -19.610 1.00 0.00 O ATOM 1000 OE2 GLU A 64 -3.345 -0.935 -18.107 1.00 0.00 O ATOM 0 H GLU A 64 -3.507 -2.245 -16.837 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.300 -1.967 -14.770 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.935 -3.075 -17.518 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.028 -2.239 -16.433 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.499 -0.507 -17.874 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.270 -0.256 -16.649 1.00 0.00 H new ATOM 1007 N GLU A 65 -5.137 -5.094 -15.891 1.00 0.00 N ATOM 1008 CA GLU A 65 -5.456 -6.467 -15.539 1.00 0.00 C ATOM 1009 C GLU A 65 -4.588 -6.905 -14.358 1.00 0.00 C ATOM 1010 O GLU A 65 -5.053 -7.577 -13.438 1.00 0.00 O ATOM 1011 CB GLU A 65 -5.299 -7.362 -16.775 1.00 0.00 C ATOM 1012 CG GLU A 65 -6.135 -6.877 -17.970 1.00 0.00 C ATOM 1013 CD GLU A 65 -7.593 -6.633 -17.600 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -8.362 -7.618 -17.636 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -7.917 -5.467 -17.287 1.00 0.00 O ATOM 0 H GLU A 65 -4.662 -4.984 -16.787 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.494 -6.555 -15.217 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.248 -7.396 -17.062 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.593 -8.380 -16.521 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.704 -5.956 -18.361 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.085 -7.617 -18.769 1.00 0.00 H new ATOM 1022 N PHE A 66 -3.325 -6.483 -14.349 1.00 0.00 N ATOM 1023 CA PHE A 66 -2.409 -6.812 -13.279 1.00 0.00 C ATOM 1024 C PHE A 66 -2.943 -6.321 -11.941 1.00 0.00 C ATOM 1025 O PHE A 66 -2.836 -7.038 -10.966 1.00 0.00 O ATOM 1026 CB PHE A 66 -1.009 -6.269 -13.541 1.00 0.00 C ATOM 1027 CG PHE A 66 0.027 -6.830 -12.587 1.00 0.00 C ATOM 1028 CD1 PHE A 66 0.548 -8.124 -12.783 1.00 0.00 C ATOM 1029 CD2 PHE A 66 0.464 -6.065 -11.493 1.00 0.00 C ATOM 1030 CE1 PHE A 66 1.595 -8.589 -11.973 1.00 0.00 C ATOM 1031 CE2 PHE A 66 1.498 -6.538 -10.671 1.00 0.00 C ATOM 1032 CZ PHE A 66 2.079 -7.792 -10.923 1.00 0.00 C ATOM 0 H PHE A 66 -2.917 -5.906 -15.084 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.330 -7.898 -13.240 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.719 -6.505 -14.565 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.024 -5.182 -13.456 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.141 -8.758 -13.557 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.003 -5.111 -11.284 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.029 -9.561 -12.157 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.847 -5.938 -9.844 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.896 -8.142 -10.310 1.00 0.00 H new ATOM 1042 N GLN A 67 -3.555 -5.142 -11.850 1.00 0.00 N ATOM 1043 CA GLN A 67 -4.178 -4.725 -10.594 1.00 0.00 C ATOM 1044 C GLN A 67 -5.242 -5.728 -10.119 1.00 0.00 C ATOM 1045 O GLN A 67 -5.353 -5.984 -8.920 1.00 0.00 O ATOM 1046 CB GLN A 67 -4.732 -3.306 -10.734 1.00 0.00 C ATOM 1047 CG GLN A 67 -3.578 -2.293 -10.737 1.00 0.00 C ATOM 1048 CD GLN A 67 -4.009 -0.975 -11.356 1.00 0.00 C ATOM 1049 OE1 GLN A 67 -4.253 0.008 -10.663 1.00 0.00 O ATOM 1050 NE2 GLN A 67 -4.101 -0.950 -12.679 1.00 0.00 N ATOM 0 H GLN A 67 -3.633 -4.470 -12.613 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.415 -4.713 -9.815 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.306 -3.220 -11.657 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.415 -3.090 -9.912 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.236 -2.124 -9.716 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.734 -2.701 -11.293 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.890 -1.788 -13.221 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.383 -0.093 -13.155 1.00 0.00 H new ATOM 1059 N VAL A 68 -5.987 -6.358 -11.034 1.00 0.00 N ATOM 1060 CA VAL A 68 -6.878 -7.453 -10.651 1.00 0.00 C ATOM 1061 C VAL A 68 -6.044 -8.612 -10.086 1.00 0.00 C ATOM 1062 O VAL A 68 -6.422 -9.241 -9.095 1.00 0.00 O ATOM 1063 CB VAL A 68 -7.783 -7.894 -11.819 1.00 0.00 C ATOM 1064 CG1 VAL A 68 -8.933 -8.766 -11.298 1.00 0.00 C ATOM 1065 CG2 VAL A 68 -8.401 -6.695 -12.553 1.00 0.00 C ATOM 0 H VAL A 68 -5.990 -6.132 -12.029 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.555 -7.103 -9.871 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.151 -8.451 -12.511 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.565 -9.071 -12.132 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.526 -9.651 -10.809 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.526 -8.196 -10.583 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.031 -7.052 -13.368 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.005 -6.114 -11.856 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.607 -6.067 -12.957 1.00 0.00 H new ATOM 1075 N LEU A 69 -4.882 -8.890 -10.686 1.00 0.00 N ATOM 1076 CA LEU A 69 -3.920 -9.816 -10.093 1.00 0.00 C ATOM 1077 C LEU A 69 -3.505 -9.328 -8.696 1.00 0.00 C ATOM 1078 O LEU A 69 -3.481 -10.131 -7.771 1.00 0.00 O ATOM 1079 CB LEU A 69 -2.742 -10.091 -11.052 1.00 0.00 C ATOM 1080 CG LEU A 69 -1.775 -11.224 -10.670 1.00 0.00 C ATOM 1081 CD1 LEU A 69 -0.649 -10.706 -9.767 1.00 0.00 C ATOM 1082 CD2 LEU A 69 -2.473 -12.462 -10.093 1.00 0.00 C ATOM 0 H LEU A 69 -4.589 -8.488 -11.576 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.391 -10.788 -9.945 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.153 -10.315 -12.036 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.164 -9.172 -11.149 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.322 -11.571 -11.599 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.020 -11.528 -9.512 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.089 -9.932 -10.291 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.076 -10.290 -8.855 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.728 -13.218 -9.847 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.020 -12.185 -9.192 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.169 -12.864 -10.830 1.00 0.00 H new ATOM 1094 N VAL A 70 -3.226 -8.032 -8.504 1.00 0.00 N ATOM 1095 CA VAL A 70 -2.854 -7.474 -7.208 1.00 0.00 C ATOM 1096 C VAL A 70 -3.957 -7.722 -6.174 1.00 0.00 C ATOM 1097 O VAL A 70 -3.666 -7.970 -5.004 1.00 0.00 O ATOM 1098 CB VAL A 70 -2.415 -6.000 -7.269 1.00 0.00 C ATOM 1099 CG1 VAL A 70 -1.960 -5.556 -5.871 1.00 0.00 C ATOM 1100 CG2 VAL A 70 -1.226 -5.815 -8.222 1.00 0.00 C ATOM 0 H VAL A 70 -3.254 -7.340 -9.253 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.962 -8.009 -6.881 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.261 -5.410 -7.623 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.647 -4.512 -5.905 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.786 -5.665 -5.168 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.124 -6.175 -5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.938 -4.764 -8.245 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.385 -6.414 -7.875 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.510 -6.135 -9.225 1.00 0.00 H new ATOM 1110 N LYS A 71 -5.224 -7.683 -6.592 1.00 0.00 N ATOM 1111 CA LYS A 71 -6.301 -8.136 -5.725 1.00 0.00 C ATOM 1112 C LYS A 71 -6.090 -9.622 -5.396 1.00 0.00 C ATOM 1113 O LYS A 71 -5.952 -9.982 -4.230 1.00 0.00 O ATOM 1114 CB LYS A 71 -7.669 -7.847 -6.360 1.00 0.00 C ATOM 1115 CG LYS A 71 -8.811 -8.087 -5.366 1.00 0.00 C ATOM 1116 CD LYS A 71 -10.159 -7.789 -6.033 1.00 0.00 C ATOM 1117 CE LYS A 71 -11.307 -8.038 -5.048 1.00 0.00 C ATOM 1118 NZ LYS A 71 -12.615 -7.762 -5.670 1.00 0.00 N ATOM 0 H LYS A 71 -5.521 -7.348 -7.509 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.285 -7.584 -4.785 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.699 -6.815 -6.708 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.807 -8.482 -7.235 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.789 -9.119 -5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.681 -7.451 -4.490 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.182 -6.754 -6.375 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.284 -8.419 -6.914 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.276 -9.072 -4.704 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.179 -7.406 -4.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.372 -7.939 -4.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.651 -6.769 -5.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.746 -8.383 -6.494 1.00 0.00 H new ATOM 1132 N LYS A 72 -6.052 -10.488 -6.415 1.00 0.00 N ATOM 1133 CA LYS A 72 -5.986 -11.937 -6.216 1.00 0.00 C ATOM 1134 C LYS A 72 -4.798 -12.387 -5.347 1.00 0.00 C ATOM 1135 O LYS A 72 -4.982 -13.205 -4.446 1.00 0.00 O ATOM 1136 CB LYS A 72 -6.021 -12.672 -7.562 1.00 0.00 C ATOM 1137 CG LYS A 72 -7.404 -12.548 -8.222 1.00 0.00 C ATOM 1138 CD LYS A 72 -7.559 -13.469 -9.445 1.00 0.00 C ATOM 1139 CE LYS A 72 -6.630 -13.110 -10.610 1.00 0.00 C ATOM 1140 NZ LYS A 72 -6.864 -11.736 -11.086 1.00 0.00 N ATOM 0 H LYS A 72 -6.066 -10.205 -7.395 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.875 -12.213 -5.649 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.260 -12.261 -8.225 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.779 -13.724 -7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.175 -12.789 -7.490 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.566 -11.514 -8.527 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.365 -14.497 -9.141 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.592 -13.429 -9.790 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.592 -13.214 -10.294 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.786 -13.811 -11.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.279 -11.556 -11.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.868 -11.620 -11.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.610 -11.061 -10.337 1.00 0.00 H new ATOM 1154 N ILE A 73 -3.588 -11.861 -5.575 1.00 0.00 N ATOM 1155 CA ILE A 73 -2.416 -12.193 -4.758 1.00 0.00 C ATOM 1156 C ILE A 73 -2.659 -11.914 -3.270 1.00 0.00 C ATOM 1157 O ILE A 73 -1.998 -12.513 -2.422 1.00 0.00 O ATOM 1158 CB ILE A 73 -1.131 -11.495 -5.250 1.00 0.00 C ATOM 1159 CG1 ILE A 73 -1.242 -9.976 -5.153 1.00 0.00 C ATOM 1160 CG2 ILE A 73 -0.751 -11.964 -6.664 1.00 0.00 C ATOM 1161 CD1 ILE A 73 -0.019 -9.242 -5.712 1.00 0.00 C ATOM 0 H ILE A 73 -3.395 -11.198 -6.326 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.261 -13.265 -4.876 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.318 -11.789 -4.586 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.131 -9.649 -5.692 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.380 -9.695 -4.109 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.158 -11.455 -6.984 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.581 -13.041 -6.657 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.561 -11.729 -7.355 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.163 -8.166 -5.612 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.870 -9.542 -5.157 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.107 -9.495 -6.765 1.00 0.00 H new ATOM 1173 N SER A 74 -3.598 -11.018 -2.947 1.00 0.00 N ATOM 1174 CA SER A 74 -4.115 -10.762 -1.607 1.00 0.00 C ATOM 1175 C SER A 74 -3.140 -9.959 -0.743 1.00 0.00 C ATOM 1176 O SER A 74 -3.520 -8.912 -0.219 1.00 0.00 O ATOM 1177 CB SER A 74 -4.586 -12.056 -0.929 1.00 0.00 C ATOM 1178 OG SER A 74 -5.545 -12.714 -1.739 1.00 0.00 O ATOM 0 H SER A 74 -4.037 -10.425 -3.651 1.00 0.00 H new ATOM 0 HA SER A 74 -4.994 -10.128 -1.720 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.735 -12.714 -0.754 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.018 -11.828 0.045 1.00 0.00 H new ATOM 0 HG SER A 74 -5.166 -12.876 -2.628 1.00 0.00 H new ATOM 1184 N GLN A 75 -1.891 -10.416 -0.619 1.00 0.00 N ATOM 1185 CA GLN A 75 -0.870 -9.866 0.267 1.00 0.00 C ATOM 1186 C GLN A 75 -1.426 -9.497 1.652 1.00 0.00 C ATOM 1187 O GLN A 75 -1.066 -8.413 2.159 1.00 0.00 O ATOM 1188 CB GLN A 75 -0.042 -8.755 -0.417 1.00 0.00 C ATOM 1189 CG GLN A 75 -0.772 -7.445 -0.767 1.00 0.00 C ATOM 1190 CD GLN A 75 -1.259 -7.400 -2.213 1.00 0.00 C ATOM 1191 OE1 GLN A 75 -0.464 -7.199 -3.124 1.00 0.00 O ATOM 1192 NE2 GLN A 75 -2.558 -7.563 -2.438 1.00 0.00 N ATOM 1193 OXT GLN A 75 -2.182 -10.334 2.194 1.00 0.00 O ATOM 0 H GLN A 75 -1.553 -11.213 -1.158 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.153 -10.661 0.470 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.797 -8.510 0.234 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.377 -9.164 -1.336 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.624 -7.321 -0.099 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.102 -6.604 -0.589 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.194 -7.729 -1.658 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.920 -7.522 -3.391 1.00 0.00 H new TER 1202 GLN A 75