USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 577 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 8 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 68 SER OG : rot -62:sc= 0.361! USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0281 USER MOD Single : A 20 THR OG1 : rot -5:sc= 1.05 USER MOD Single : A 22 HIS : no HD1:sc= -7.3! C(o=-7.3!,f=-19!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.288) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 82:sc= 0.365 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 94:sc= 0.887 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 -7.953 7.914 0.396 1.00 0.00 N ATOM 14 CA ILE A 2 -6.525 7.755 0.788 1.00 0.00 C ATOM 15 C ILE A 2 -5.651 7.732 -0.468 1.00 0.00 C ATOM 16 O ILE A 2 -6.143 7.658 -1.577 1.00 0.00 O ATOM 17 CB ILE A 2 -6.350 6.442 1.554 1.00 0.00 C ATOM 18 CG1 ILE A 2 -7.594 6.181 2.406 1.00 0.00 C ATOM 19 CG2 ILE A 2 -5.123 6.541 2.462 1.00 0.00 C ATOM 20 CD1 ILE A 2 -7.722 7.272 3.471 1.00 0.00 C ATOM 0 HA ILE A 2 -6.227 8.589 1.423 1.00 0.00 H new ATOM 0 HB ILE A 2 -6.214 5.624 0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.483 6.167 1.776 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.524 5.202 2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.998 5.606 3.008 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.236 6.729 1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.259 7.359 3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -8.608 7.086 4.078 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -6.838 7.264 4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -7.811 8.244 2.987 1.00 0.00 H new ATOM 32 N ASP A 3 -4.358 7.797 -0.304 1.00 0.00 N ATOM 33 CA ASP A 3 -3.454 7.779 -1.488 1.00 0.00 C ATOM 34 C ASP A 3 -2.605 6.507 -1.464 1.00 0.00 C ATOM 35 O ASP A 3 -2.110 6.100 -0.431 1.00 0.00 O ATOM 36 CB ASP A 3 -2.539 9.005 -1.450 1.00 0.00 C ATOM 37 CG ASP A 3 -1.761 9.102 -2.764 1.00 0.00 C ATOM 38 OD1 ASP A 3 -2.372 8.929 -3.805 1.00 0.00 O ATOM 39 OD2 ASP A 3 -0.568 9.348 -2.706 1.00 0.00 O ATOM 0 H ASP A 3 -3.889 7.862 0.599 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.050 7.799 -2.400 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.130 9.908 -1.297 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.848 8.930 -0.610 1.00 0.00 H new ATOM 44 N ILE A 4 -2.430 5.876 -2.592 1.00 0.00 N ATOM 45 CA ILE A 4 -1.612 4.631 -2.632 1.00 0.00 C ATOM 46 C ILE A 4 -0.258 4.932 -3.278 1.00 0.00 C ATOM 47 O ILE A 4 0.008 4.541 -4.397 1.00 0.00 O ATOM 48 CB ILE A 4 -2.343 3.567 -3.453 1.00 0.00 C ATOM 49 CG1 ILE A 4 -3.796 3.468 -2.979 1.00 0.00 C ATOM 50 CG2 ILE A 4 -1.655 2.215 -3.266 1.00 0.00 C ATOM 51 CD1 ILE A 4 -4.733 3.535 -4.185 1.00 0.00 C ATOM 0 H ILE A 4 -2.818 6.169 -3.489 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.458 4.264 -1.617 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.320 3.843 -4.507 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.950 2.535 -2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.019 4.279 -2.286 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.176 1.457 -3.851 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.620 2.284 -3.601 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.677 1.938 -2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.767 3.464 -3.847 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.586 4.480 -4.708 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.515 2.708 -4.861 1.00 0.00 H new ATOM 63 N LYS A 5 0.601 5.624 -2.580 1.00 0.00 N ATOM 64 CA LYS A 5 1.937 5.949 -3.155 1.00 0.00 C ATOM 65 C LYS A 5 2.993 5.025 -2.543 1.00 0.00 C ATOM 66 O LYS A 5 2.874 4.591 -1.415 1.00 0.00 O ATOM 67 CB LYS A 5 2.289 7.404 -2.839 1.00 0.00 C ATOM 68 CG LYS A 5 2.438 7.577 -1.325 1.00 0.00 C ATOM 69 CD LYS A 5 2.033 8.998 -0.931 1.00 0.00 C ATOM 70 CE LYS A 5 3.269 9.900 -0.926 1.00 0.00 C ATOM 71 NZ LYS A 5 3.233 10.786 0.271 1.00 0.00 N ATOM 0 H LYS A 5 0.436 5.978 -1.638 1.00 0.00 H new ATOM 0 HA LYS A 5 1.911 5.808 -4.236 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.216 7.682 -3.340 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.511 8.068 -3.217 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.814 6.852 -0.802 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.469 7.385 -1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.292 9.383 -1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.569 8.995 0.055 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.175 9.294 -0.916 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.298 10.500 -1.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.073 11.399 0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.375 11.374 0.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.225 10.205 1.133 1.00 0.00 H new ATOM 85 N ALA A 6 4.026 4.721 -3.281 1.00 0.00 N ATOM 86 CA ALA A 6 5.088 3.825 -2.741 1.00 0.00 C ATOM 87 C ALA A 6 5.729 4.474 -1.512 1.00 0.00 C ATOM 88 O ALA A 6 5.654 5.675 -1.337 1.00 0.00 O ATOM 89 CB ALA A 6 6.156 3.598 -3.814 1.00 0.00 C ATOM 0 H ALA A 6 4.180 5.054 -4.233 1.00 0.00 H new ATOM 0 HA ALA A 6 4.648 2.869 -2.457 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.933 2.943 -3.421 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.700 3.135 -4.689 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.596 4.554 -4.097 1.00 0.00 H new ATOM 95 N PRO A 7 6.342 3.657 -0.694 1.00 0.00 N ATOM 96 CA PRO A 7 7.011 4.116 0.535 1.00 0.00 C ATOM 97 C PRO A 7 8.369 4.742 0.202 1.00 0.00 C ATOM 98 O PRO A 7 8.758 4.830 -0.946 1.00 0.00 O ATOM 99 CB PRO A 7 7.187 2.831 1.348 1.00 0.00 C ATOM 100 CG PRO A 7 7.137 1.663 0.335 1.00 0.00 C ATOM 101 CD PRO A 7 6.424 2.199 -0.920 1.00 0.00 C ATOM 0 HA PRO A 7 6.448 4.880 1.071 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.135 2.838 1.886 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.398 2.732 2.094 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.142 1.318 0.092 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.599 0.811 0.752 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.984 1.967 -1.826 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.434 1.757 -1.035 1.00 0.00 H new ATOM 109 N THR A 8 9.091 5.178 1.197 1.00 0.00 N ATOM 110 CA THR A 8 10.421 5.798 0.937 1.00 0.00 C ATOM 111 C THR A 8 11.509 4.727 1.029 1.00 0.00 C ATOM 112 O THR A 8 11.583 3.983 1.986 1.00 0.00 O ATOM 113 CB THR A 8 10.689 6.888 1.979 1.00 0.00 C ATOM 114 OG1 THR A 8 9.730 7.925 1.832 1.00 0.00 O ATOM 115 CG2 THR A 8 12.095 7.456 1.775 1.00 0.00 C ATOM 0 H THR A 8 8.818 5.132 2.179 1.00 0.00 H new ATOM 0 HA THR A 8 10.428 6.239 -0.060 1.00 0.00 H new ATOM 0 HB THR A 8 10.614 6.463 2.980 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.898 8.623 2.499 1.00 0.00 H new ATOM 0 HG21 THR A 8 12.285 8.232 2.517 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.829 6.658 1.887 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.173 7.883 0.775 1.00 0.00 H new ATOM 123 N PHE A 9 12.356 4.641 0.038 1.00 0.00 N ATOM 124 CA PHE A 9 13.438 3.617 0.069 1.00 0.00 C ATOM 125 C PHE A 9 14.597 4.125 0.934 1.00 0.00 C ATOM 126 O PHE A 9 14.840 5.314 1.006 1.00 0.00 O ATOM 127 CB PHE A 9 13.938 3.361 -1.354 1.00 0.00 C ATOM 128 CG PHE A 9 12.763 3.064 -2.254 1.00 0.00 C ATOM 129 CD1 PHE A 9 11.920 1.981 -1.972 1.00 0.00 C ATOM 130 CD2 PHE A 9 12.515 3.873 -3.371 1.00 0.00 C ATOM 131 CE1 PHE A 9 10.830 1.705 -2.807 1.00 0.00 C ATOM 132 CE2 PHE A 9 11.424 3.598 -4.207 1.00 0.00 C ATOM 133 CZ PHE A 9 10.582 2.514 -3.925 1.00 0.00 C ATOM 0 H PHE A 9 12.345 5.236 -0.791 1.00 0.00 H new ATOM 0 HA PHE A 9 13.049 2.690 0.490 1.00 0.00 H new ATOM 0 HB2 PHE A 9 14.481 4.231 -1.722 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.636 2.524 -1.361 1.00 0.00 H new ATOM 0 HD1 PHE A 9 12.111 1.359 -1.110 1.00 0.00 H new ATOM 0 HD2 PHE A 9 13.164 4.708 -3.588 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.181 0.870 -2.590 1.00 0.00 H new ATOM 0 HE2 PHE A 9 11.232 4.221 -5.068 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.742 2.302 -4.569 1.00 0.00 H new ATOM 143 N PRO A 10 15.278 3.203 1.564 1.00 0.00 N ATOM 144 CA PRO A 10 16.424 3.517 2.436 1.00 0.00 C ATOM 145 C PRO A 10 17.670 3.810 1.595 1.00 0.00 C ATOM 146 O PRO A 10 17.590 4.015 0.400 1.00 0.00 O ATOM 147 CB PRO A 10 16.607 2.240 3.260 1.00 0.00 C ATOM 148 CG PRO A 10 15.957 1.097 2.445 1.00 0.00 C ATOM 149 CD PRO A 10 14.970 1.761 1.466 1.00 0.00 C ATOM 0 HA PRO A 10 16.264 4.399 3.057 1.00 0.00 H new ATOM 0 HB2 PRO A 10 17.664 2.039 3.436 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.134 2.337 4.237 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.713 0.527 1.906 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.440 0.398 3.102 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.108 1.392 0.450 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.936 1.555 1.742 1.00 0.00 H new ATOM 157 N GLU A 11 18.821 3.829 2.210 1.00 0.00 N ATOM 158 CA GLU A 11 20.069 4.106 1.446 1.00 0.00 C ATOM 159 C GLU A 11 20.433 2.884 0.601 1.00 0.00 C ATOM 160 O GLU A 11 20.834 3.003 -0.539 1.00 0.00 O ATOM 161 CB GLU A 11 21.208 4.409 2.422 1.00 0.00 C ATOM 162 CG GLU A 11 21.516 3.160 3.251 1.00 0.00 C ATOM 163 CD GLU A 11 22.520 3.511 4.351 1.00 0.00 C ATOM 164 OE1 GLU A 11 22.095 4.033 5.368 1.00 0.00 O ATOM 165 OE2 GLU A 11 23.697 3.253 4.157 1.00 0.00 O ATOM 0 H GLU A 11 18.950 3.665 3.208 1.00 0.00 H new ATOM 0 HA GLU A 11 19.912 4.965 0.793 1.00 0.00 H new ATOM 0 HB2 GLU A 11 22.097 4.723 1.874 1.00 0.00 H new ATOM 0 HB3 GLU A 11 20.929 5.234 3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 11 20.599 2.769 3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 11 21.921 2.377 2.611 1.00 0.00 H new ATOM 172 N SER A 12 20.298 1.709 1.155 1.00 0.00 N ATOM 173 CA SER A 12 20.637 0.478 0.388 1.00 0.00 C ATOM 174 C SER A 12 20.097 0.596 -1.038 1.00 0.00 C ATOM 175 O SER A 12 20.842 0.785 -1.980 1.00 0.00 O ATOM 176 CB SER A 12 20.006 -0.736 1.072 1.00 0.00 C ATOM 177 OG SER A 12 20.258 -1.897 0.290 1.00 0.00 O ATOM 0 H SER A 12 19.967 1.549 2.107 1.00 0.00 H new ATOM 0 HA SER A 12 21.720 0.358 0.356 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.420 -0.860 2.073 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.932 -0.586 1.187 1.00 0.00 H new ATOM 0 HG SER A 12 19.857 -2.678 0.725 1.00 0.00 H new ATOM 183 N ILE A 13 18.808 0.487 -1.207 1.00 0.00 N ATOM 184 CA ILE A 13 18.223 0.594 -2.573 1.00 0.00 C ATOM 185 C ILE A 13 17.863 2.052 -2.862 1.00 0.00 C ATOM 186 O ILE A 13 17.548 2.812 -1.967 1.00 0.00 O ATOM 187 CB ILE A 13 16.964 -0.270 -2.658 1.00 0.00 C ATOM 188 CG1 ILE A 13 17.230 -1.624 -1.997 1.00 0.00 C ATOM 189 CG2 ILE A 13 16.589 -0.485 -4.125 1.00 0.00 C ATOM 190 CD1 ILE A 13 16.493 -1.694 -0.659 1.00 0.00 C ATOM 0 H ILE A 13 18.134 0.328 -0.458 1.00 0.00 H new ATOM 0 HA ILE A 13 18.950 0.248 -3.307 1.00 0.00 H new ATOM 0 HB ILE A 13 16.144 0.232 -2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.897 -2.431 -2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 13 18.300 -1.761 -1.842 1.00 0.00 H new ATOM 0 HG21 ILE A 13 15.692 -1.101 -4.185 1.00 0.00 H new ATOM 0 HG22 ILE A 13 16.400 0.479 -4.597 1.00 0.00 H new ATOM 0 HG23 ILE A 13 17.408 -0.987 -4.640 1.00 0.00 H new ATOM 0 HD11 ILE A 13 16.683 -2.659 -0.189 1.00 0.00 H new ATOM 0 HD12 ILE A 13 16.847 -0.896 -0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.422 -1.577 -0.827 1.00 0.00 H new ATOM 202 N ALA A 14 17.904 2.450 -4.104 1.00 0.00 N ATOM 203 CA ALA A 14 17.563 3.858 -4.447 1.00 0.00 C ATOM 204 C ALA A 14 16.391 3.875 -5.430 1.00 0.00 C ATOM 205 O ALA A 14 16.281 4.749 -6.266 1.00 0.00 O ATOM 206 CB ALA A 14 18.776 4.535 -5.089 1.00 0.00 C ATOM 0 H ALA A 14 18.159 1.860 -4.896 1.00 0.00 H new ATOM 0 HA ALA A 14 17.284 4.395 -3.540 1.00 0.00 H new ATOM 0 HB1 ALA A 14 18.527 5.566 -5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.612 4.524 -4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.055 3.998 -5.996 1.00 0.00 H new ATOM 212 N ASP A 15 15.513 2.913 -5.337 1.00 0.00 N ATOM 213 CA ASP A 15 14.349 2.875 -6.266 1.00 0.00 C ATOM 214 C ASP A 15 13.446 1.694 -5.903 1.00 0.00 C ATOM 215 O ASP A 15 13.636 1.041 -4.895 1.00 0.00 O ATOM 216 CB ASP A 15 14.848 2.712 -7.703 1.00 0.00 C ATOM 217 CG ASP A 15 16.109 1.847 -7.711 1.00 0.00 C ATOM 218 OD1 ASP A 15 16.053 0.746 -7.189 1.00 0.00 O ATOM 219 OD2 ASP A 15 17.111 2.300 -8.242 1.00 0.00 O ATOM 0 H ASP A 15 15.552 2.153 -4.658 1.00 0.00 H new ATOM 0 HA ASP A 15 13.785 3.804 -6.180 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.075 2.251 -8.318 1.00 0.00 H new ATOM 0 HB3 ASP A 15 15.061 3.688 -8.138 1.00 0.00 H new ATOM 224 N GLY A 16 12.465 1.413 -6.715 1.00 0.00 N ATOM 225 CA GLY A 16 11.551 0.275 -6.416 1.00 0.00 C ATOM 226 C GLY A 16 10.937 -0.246 -7.715 1.00 0.00 C ATOM 227 O GLY A 16 11.149 0.305 -8.778 1.00 0.00 O ATOM 0 H GLY A 16 12.256 1.923 -7.574 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.100 -0.523 -5.916 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.764 0.597 -5.734 1.00 0.00 H new ATOM 231 N THR A 17 10.176 -1.304 -7.643 1.00 0.00 N ATOM 232 CA THR A 17 9.549 -1.858 -8.875 1.00 0.00 C ATOM 233 C THR A 17 8.222 -2.529 -8.516 1.00 0.00 C ATOM 234 O THR A 17 8.187 -3.514 -7.807 1.00 0.00 O ATOM 235 CB THR A 17 10.488 -2.890 -9.505 1.00 0.00 C ATOM 236 OG1 THR A 17 11.712 -2.261 -9.859 1.00 0.00 O ATOM 237 CG2 THR A 17 9.836 -3.481 -10.755 1.00 0.00 C ATOM 0 H THR A 17 9.962 -1.809 -6.783 1.00 0.00 H new ATOM 0 HA THR A 17 9.367 -1.050 -9.584 1.00 0.00 H new ATOM 0 HB THR A 17 10.683 -3.688 -8.789 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.315 -2.921 -10.261 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.506 -4.215 -11.202 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.898 -3.964 -10.482 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.639 -2.685 -11.473 1.00 0.00 H new ATOM 245 N VAL A 18 7.130 -2.001 -8.998 1.00 0.00 N ATOM 246 CA VAL A 18 5.807 -2.611 -8.683 1.00 0.00 C ATOM 247 C VAL A 18 5.888 -4.127 -8.866 1.00 0.00 C ATOM 248 O VAL A 18 6.845 -4.646 -9.405 1.00 0.00 O ATOM 249 CB VAL A 18 4.747 -2.037 -9.625 1.00 0.00 C ATOM 250 CG1 VAL A 18 3.369 -2.568 -9.226 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.752 -0.510 -9.525 1.00 0.00 C ATOM 0 H VAL A 18 7.097 -1.175 -9.595 1.00 0.00 H new ATOM 0 HA VAL A 18 5.537 -2.385 -7.651 1.00 0.00 H new ATOM 0 HB VAL A 18 4.970 -2.337 -10.649 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.613 -2.159 -9.897 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.365 -3.656 -9.294 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.146 -2.268 -8.202 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.997 -0.099 -10.196 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.528 -0.212 -8.501 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.734 -0.130 -9.807 1.00 0.00 H new ATOM 261 N ALA A 19 4.891 -4.842 -8.422 1.00 0.00 N ATOM 262 CA ALA A 19 4.913 -6.324 -8.571 1.00 0.00 C ATOM 263 C ALA A 19 3.813 -6.758 -9.541 1.00 0.00 C ATOM 264 O ALA A 19 4.081 -7.173 -10.652 1.00 0.00 O ATOM 265 CB ALA A 19 4.676 -6.977 -7.207 1.00 0.00 C ATOM 0 H ALA A 19 4.062 -4.464 -7.963 1.00 0.00 H new ATOM 0 HA ALA A 19 5.883 -6.634 -8.960 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.692 -8.062 -7.315 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.460 -6.670 -6.515 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.707 -6.665 -6.818 1.00 0.00 H new ATOM 271 N THR A 20 2.577 -6.666 -9.134 1.00 0.00 N ATOM 272 CA THR A 20 1.463 -7.075 -10.035 1.00 0.00 C ATOM 273 C THR A 20 0.158 -6.432 -9.561 1.00 0.00 C ATOM 274 O THR A 20 -0.153 -6.430 -8.386 1.00 0.00 O ATOM 275 CB THR A 20 1.319 -8.597 -10.006 1.00 0.00 C ATOM 276 OG1 THR A 20 2.435 -9.190 -10.657 1.00 0.00 O ATOM 277 CG2 THR A 20 0.031 -9.005 -10.723 1.00 0.00 C ATOM 0 H THR A 20 2.290 -6.325 -8.216 1.00 0.00 H new ATOM 0 HA THR A 20 1.680 -6.748 -11.052 1.00 0.00 H new ATOM 0 HB THR A 20 1.278 -8.938 -8.971 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.999 -8.488 -11.044 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.070 -10.090 -10.701 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.824 -8.551 -10.222 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.067 -8.665 -11.758 1.00 0.00 H new ATOM 285 N TRP A 21 -0.608 -5.886 -10.465 1.00 0.00 N ATOM 286 CA TRP A 21 -1.887 -5.247 -10.074 1.00 0.00 C ATOM 287 C TRP A 21 -3.011 -6.285 -10.117 1.00 0.00 C ATOM 288 O TRP A 21 -3.724 -6.402 -11.093 1.00 0.00 O ATOM 289 CB TRP A 21 -2.191 -4.121 -11.057 1.00 0.00 C ATOM 290 CG TRP A 21 -1.604 -2.844 -10.551 1.00 0.00 C ATOM 291 CD1 TRP A 21 -0.429 -2.308 -10.959 1.00 0.00 C ATOM 292 CD2 TRP A 21 -2.142 -1.934 -9.551 1.00 0.00 C ATOM 293 NE1 TRP A 21 -0.217 -1.127 -10.270 1.00 0.00 N ATOM 294 CE2 TRP A 21 -1.241 -0.856 -9.394 1.00 0.00 C ATOM 295 CE3 TRP A 21 -3.314 -1.937 -8.770 1.00 0.00 C ATOM 296 CZ2 TRP A 21 -1.486 0.179 -8.501 1.00 0.00 C ATOM 297 CZ3 TRP A 21 -3.568 -0.892 -7.864 1.00 0.00 C ATOM 298 CH2 TRP A 21 -2.654 0.165 -7.730 1.00 0.00 C ATOM 0 H TRP A 21 -0.398 -5.857 -11.463 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.811 -4.846 -9.063 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.779 -4.359 -12.038 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.269 -4.014 -11.181 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.233 -2.732 -11.700 1.00 0.00 H new ATOM 0 HE1 TRP A 21 0.600 -0.530 -10.397 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -4.022 -2.747 -8.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -0.779 0.990 -8.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.469 -0.903 -7.269 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -2.852 0.966 -7.033 1.00 0.00 H new ATOM 309 N HIS A 22 -3.168 -7.043 -9.065 1.00 0.00 N ATOM 310 CA HIS A 22 -4.249 -8.085 -9.049 1.00 0.00 C ATOM 311 C HIS A 22 -5.531 -7.499 -9.644 1.00 0.00 C ATOM 312 O HIS A 22 -5.949 -7.867 -10.724 1.00 0.00 O ATOM 313 CB HIS A 22 -4.533 -8.548 -7.612 1.00 0.00 C ATOM 314 CG HIS A 22 -3.275 -8.468 -6.800 1.00 0.00 C ATOM 315 ND1 HIS A 22 -2.848 -7.281 -6.235 1.00 0.00 N ATOM 316 CD2 HIS A 22 -2.316 -9.400 -6.492 1.00 0.00 C ATOM 317 CE1 HIS A 22 -1.676 -7.519 -5.633 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.303 -8.798 -5.753 1.00 0.00 N ATOM 0 H HIS A 22 -2.601 -6.991 -8.219 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.916 -8.939 -9.639 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.307 -7.924 -7.165 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.911 -9.571 -7.617 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.344 -10.441 -6.779 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.100 -6.768 -5.113 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.459 -9.236 -5.383 1.00 0.00 H new ATOM 326 N LYS A 23 -6.159 -6.592 -8.948 1.00 0.00 N ATOM 327 CA LYS A 23 -7.416 -5.988 -9.472 1.00 0.00 C ATOM 328 C LYS A 23 -7.081 -4.755 -10.315 1.00 0.00 C ATOM 329 O LYS A 23 -5.933 -4.474 -10.595 1.00 0.00 O ATOM 330 CB LYS A 23 -8.312 -5.577 -8.301 1.00 0.00 C ATOM 331 CG LYS A 23 -9.102 -6.792 -7.814 1.00 0.00 C ATOM 332 CD LYS A 23 -10.453 -6.845 -8.530 1.00 0.00 C ATOM 333 CE LYS A 23 -10.795 -8.296 -8.871 1.00 0.00 C ATOM 334 NZ LYS A 23 -11.716 -8.328 -10.042 1.00 0.00 N ATOM 0 H LYS A 23 -5.856 -6.243 -8.039 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.937 -6.719 -10.090 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.706 -5.174 -7.489 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.995 -4.786 -8.612 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.540 -7.706 -8.008 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.252 -6.733 -6.736 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.229 -6.417 -7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.418 -6.245 -9.440 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.885 -8.852 -9.096 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.262 -8.782 -8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.949 -9.315 -10.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.589 -7.812 -9.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.254 -7.880 -10.859 1.00 0.00 H new ATOM 348 N LYS A 24 -8.078 -4.016 -10.721 1.00 0.00 N ATOM 349 CA LYS A 24 -7.821 -2.801 -11.546 1.00 0.00 C ATOM 350 C LYS A 24 -8.699 -1.652 -11.040 1.00 0.00 C ATOM 351 O LYS A 24 -9.633 -1.871 -10.294 1.00 0.00 O ATOM 352 CB LYS A 24 -8.160 -3.096 -13.011 1.00 0.00 C ATOM 353 CG LYS A 24 -7.905 -4.576 -13.312 1.00 0.00 C ATOM 354 CD LYS A 24 -8.268 -4.870 -14.769 1.00 0.00 C ATOM 355 CE LYS A 24 -7.421 -6.037 -15.280 1.00 0.00 C ATOM 356 NZ LYS A 24 -7.577 -7.203 -14.364 1.00 0.00 N ATOM 0 H LYS A 24 -9.060 -4.201 -10.517 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.770 -2.521 -11.467 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.203 -2.849 -13.210 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.554 -2.472 -13.667 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.858 -4.820 -13.130 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.498 -5.201 -12.645 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.327 -5.113 -14.849 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.097 -3.986 -15.383 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.730 -6.310 -16.289 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.373 -5.743 -15.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.282 -8.071 -14.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.985 -7.063 -13.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.573 -7.289 -14.078 1.00 0.00 H new ATOM 370 N PRO A 25 -8.371 -0.457 -11.462 1.00 0.00 N ATOM 371 CA PRO A 25 -9.112 0.754 -11.068 1.00 0.00 C ATOM 372 C PRO A 25 -10.422 0.857 -11.854 1.00 0.00 C ATOM 373 O PRO A 25 -10.425 1.025 -13.058 1.00 0.00 O ATOM 374 CB PRO A 25 -8.160 1.895 -11.438 1.00 0.00 C ATOM 375 CG PRO A 25 -7.203 1.331 -12.515 1.00 0.00 C ATOM 376 CD PRO A 25 -7.233 -0.202 -12.370 1.00 0.00 C ATOM 0 HA PRO A 25 -9.389 0.764 -10.014 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.712 2.754 -11.820 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.604 2.236 -10.565 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.522 1.632 -13.513 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.192 1.714 -12.374 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.375 -0.691 -13.334 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.299 -0.581 -11.955 1.00 0.00 H new ATOM 384 N GLY A 26 -11.537 0.758 -11.182 1.00 0.00 N ATOM 385 CA GLY A 26 -12.845 0.849 -11.888 1.00 0.00 C ATOM 386 C GLY A 26 -13.778 -0.251 -11.380 1.00 0.00 C ATOM 387 O GLY A 26 -14.956 -0.268 -11.679 1.00 0.00 O ATOM 0 H GLY A 26 -11.598 0.618 -10.173 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.294 1.828 -11.719 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.698 0.747 -12.963 1.00 0.00 H new ATOM 391 N GLU A 27 -13.261 -1.172 -10.613 1.00 0.00 N ATOM 392 CA GLU A 27 -14.118 -2.271 -10.086 1.00 0.00 C ATOM 393 C GLU A 27 -14.511 -1.963 -8.640 1.00 0.00 C ATOM 394 O GLU A 27 -14.252 -0.890 -8.132 1.00 0.00 O ATOM 395 CB GLU A 27 -13.342 -3.589 -10.135 1.00 0.00 C ATOM 396 CG GLU A 27 -12.957 -3.903 -11.582 1.00 0.00 C ATOM 397 CD GLU A 27 -14.134 -4.576 -12.289 1.00 0.00 C ATOM 398 OE1 GLU A 27 -14.698 -5.495 -11.716 1.00 0.00 O ATOM 399 OE2 GLU A 27 -14.452 -4.162 -13.392 1.00 0.00 O ATOM 0 H GLU A 27 -12.282 -1.211 -10.329 1.00 0.00 H new ATOM 0 HA GLU A 27 -15.018 -2.356 -10.696 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.447 -3.519 -9.517 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.950 -4.396 -9.726 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.682 -2.986 -12.103 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.084 -4.556 -11.604 1.00 0.00 H new ATOM 406 N ALA A 28 -15.136 -2.895 -7.974 1.00 0.00 N ATOM 407 CA ALA A 28 -15.545 -2.654 -6.562 1.00 0.00 C ATOM 408 C ALA A 28 -14.391 -3.020 -5.627 1.00 0.00 C ATOM 409 O ALA A 28 -13.402 -3.592 -6.040 1.00 0.00 O ATOM 410 CB ALA A 28 -16.764 -3.520 -6.229 1.00 0.00 C ATOM 0 H ALA A 28 -15.381 -3.812 -8.347 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.799 -1.602 -6.432 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.064 -3.344 -5.196 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.587 -3.261 -6.895 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.509 -4.572 -6.359 1.00 0.00 H new ATOM 416 N VAL A 29 -14.507 -2.692 -4.368 1.00 0.00 N ATOM 417 CA VAL A 29 -13.416 -3.019 -3.408 1.00 0.00 C ATOM 418 C VAL A 29 -14.024 -3.438 -2.068 1.00 0.00 C ATOM 419 O VAL A 29 -15.076 -2.970 -1.680 1.00 0.00 O ATOM 420 CB VAL A 29 -12.530 -1.789 -3.204 1.00 0.00 C ATOM 421 CG1 VAL A 29 -11.586 -2.029 -2.025 1.00 0.00 C ATOM 422 CG2 VAL A 29 -11.709 -1.538 -4.470 1.00 0.00 C ATOM 0 H VAL A 29 -15.311 -2.212 -3.964 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.815 -3.837 -3.806 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.156 -0.921 -2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.955 -1.152 -1.880 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -12.170 -2.209 -1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.960 -2.897 -2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.077 -0.662 -4.326 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -11.083 -2.407 -4.676 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.381 -1.367 -5.311 1.00 0.00 H new ATOM 432 N LYS A 30 -13.371 -4.316 -1.358 1.00 0.00 N ATOM 433 CA LYS A 30 -13.914 -4.764 -0.043 1.00 0.00 C ATOM 434 C LYS A 30 -12.788 -4.789 0.992 1.00 0.00 C ATOM 435 O LYS A 30 -11.696 -5.248 0.724 1.00 0.00 O ATOM 436 CB LYS A 30 -14.505 -6.167 -0.187 1.00 0.00 C ATOM 437 CG LYS A 30 -15.916 -6.190 0.406 1.00 0.00 C ATOM 438 CD LYS A 30 -16.308 -7.631 0.736 1.00 0.00 C ATOM 439 CE LYS A 30 -17.066 -7.663 2.064 1.00 0.00 C ATOM 440 NZ LYS A 30 -18.284 -8.510 1.921 1.00 0.00 N ATOM 0 H LYS A 30 -12.486 -4.743 -1.630 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.692 -4.074 0.283 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.536 -6.454 -1.238 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.873 -6.894 0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.954 -5.577 1.306 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.626 -5.762 -0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.930 -8.041 -0.060 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.417 -8.256 0.799 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.425 -8.059 2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.346 -6.652 2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.800 -8.532 2.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.898 -8.113 1.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.006 -9.477 1.658 1.00 0.00 H new ATOM 454 N ARG A 31 -13.045 -4.295 2.174 1.00 0.00 N ATOM 455 CA ARG A 31 -11.994 -4.288 3.226 1.00 0.00 C ATOM 456 C ARG A 31 -11.253 -5.627 3.225 1.00 0.00 C ATOM 457 O ARG A 31 -11.831 -6.666 2.969 1.00 0.00 O ATOM 458 CB ARG A 31 -12.645 -4.068 4.594 1.00 0.00 C ATOM 459 CG ARG A 31 -11.559 -3.819 5.643 1.00 0.00 C ATOM 460 CD ARG A 31 -12.213 -3.555 7.001 1.00 0.00 C ATOM 461 NE ARG A 31 -12.226 -4.814 7.798 1.00 0.00 N ATOM 462 CZ ARG A 31 -12.461 -4.771 9.081 1.00 0.00 C ATOM 463 NH1 ARG A 31 -11.504 -4.456 9.910 1.00 0.00 N ATOM 464 NH2 ARG A 31 -13.654 -5.044 9.535 1.00 0.00 N ATOM 0 H ARG A 31 -13.941 -3.896 2.454 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.286 -3.484 3.023 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.326 -3.218 4.552 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.239 -4.939 4.870 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.896 -4.682 5.708 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.945 -2.967 5.351 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.666 -2.779 7.536 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -13.230 -3.189 6.862 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.051 -5.709 7.341 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.572 -4.243 9.555 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.688 -4.423 10.913 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -14.402 -5.291 8.887 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.838 -5.011 10.538 1.00 0.00 H new ATOM 478 N ASP A 32 -9.979 -5.612 3.507 1.00 0.00 N ATOM 479 CA ASP A 32 -9.204 -6.884 3.521 1.00 0.00 C ATOM 480 C ASP A 32 -9.112 -7.441 2.099 1.00 0.00 C ATOM 481 O ASP A 32 -9.360 -8.606 1.861 1.00 0.00 O ATOM 482 CB ASP A 32 -9.908 -7.901 4.422 1.00 0.00 C ATOM 483 CG ASP A 32 -8.991 -9.104 4.648 1.00 0.00 C ATOM 484 OD1 ASP A 32 -8.007 -9.217 3.935 1.00 0.00 O ATOM 485 OD2 ASP A 32 -9.288 -9.892 5.530 1.00 0.00 O ATOM 0 H ASP A 32 -9.442 -4.774 3.728 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.201 -6.694 3.903 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.164 -7.441 5.377 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.842 -8.224 3.963 1.00 0.00 H new ATOM 490 N GLU A 33 -8.757 -6.617 1.150 1.00 0.00 N ATOM 491 CA GLU A 33 -8.650 -7.100 -0.255 1.00 0.00 C ATOM 492 C GLU A 33 -7.390 -6.520 -0.900 1.00 0.00 C ATOM 493 O GLU A 33 -7.333 -5.354 -1.234 1.00 0.00 O ATOM 494 CB GLU A 33 -9.881 -6.648 -1.046 1.00 0.00 C ATOM 495 CG GLU A 33 -9.730 -7.067 -2.509 1.00 0.00 C ATOM 496 CD GLU A 33 -10.862 -8.024 -2.886 1.00 0.00 C ATOM 497 OE1 GLU A 33 -12.009 -7.617 -2.797 1.00 0.00 O ATOM 498 OE2 GLU A 33 -10.562 -9.146 -3.258 1.00 0.00 O ATOM 0 H GLU A 33 -8.537 -5.631 1.288 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.593 -8.189 -0.261 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.782 -7.091 -0.621 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.994 -5.566 -0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.752 -6.189 -3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.765 -7.550 -2.662 1.00 0.00 H new ATOM 505 N LEU A 34 -6.378 -7.327 -1.077 1.00 0.00 N ATOM 506 CA LEU A 34 -5.123 -6.827 -1.698 1.00 0.00 C ATOM 507 C LEU A 34 -5.464 -5.935 -2.895 1.00 0.00 C ATOM 508 O LEU A 34 -6.577 -5.935 -3.381 1.00 0.00 O ATOM 509 CB LEU A 34 -4.282 -8.015 -2.169 1.00 0.00 C ATOM 510 CG LEU A 34 -2.946 -7.514 -2.718 1.00 0.00 C ATOM 511 CD1 LEU A 34 -2.222 -6.703 -1.641 1.00 0.00 C ATOM 512 CD2 LEU A 34 -2.081 -8.711 -3.120 1.00 0.00 C ATOM 0 H LEU A 34 -6.369 -8.313 -0.817 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.559 -6.249 -0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.111 -8.703 -1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.818 -8.570 -2.939 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.125 -6.883 -3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.270 -6.346 -2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.837 -5.851 -1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.043 -7.333 -0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.128 -8.356 -3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.903 -9.340 -2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.595 -9.290 -3.887 1.00 0.00 H new ATOM 524 N ILE A 35 -4.517 -5.174 -3.372 1.00 0.00 N ATOM 525 CA ILE A 35 -4.795 -4.285 -4.535 1.00 0.00 C ATOM 526 C ILE A 35 -3.571 -4.242 -5.453 1.00 0.00 C ATOM 527 O ILE A 35 -3.679 -4.387 -6.654 1.00 0.00 O ATOM 528 CB ILE A 35 -5.106 -2.873 -4.034 1.00 0.00 C ATOM 529 CG1 ILE A 35 -6.423 -2.889 -3.255 1.00 0.00 C ATOM 530 CG2 ILE A 35 -5.232 -1.924 -5.226 1.00 0.00 C ATOM 531 CD1 ILE A 35 -6.772 -1.467 -2.812 1.00 0.00 C ATOM 0 H ILE A 35 -3.565 -5.130 -3.008 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.650 -4.672 -5.090 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.301 -2.533 -3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.221 -3.293 -3.878 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.336 -3.541 -2.386 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.454 -0.918 -4.869 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.295 -1.913 -5.783 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.037 -2.263 -5.878 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.710 -1.479 -2.257 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.978 -1.079 -2.174 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.877 -0.828 -3.689 1.00 0.00 H new ATOM 543 N VAL A 36 -2.407 -4.043 -4.899 1.00 0.00 N ATOM 544 CA VAL A 36 -1.180 -3.992 -5.743 1.00 0.00 C ATOM 545 C VAL A 36 0.025 -4.456 -4.923 1.00 0.00 C ATOM 546 O VAL A 36 0.205 -4.059 -3.788 1.00 0.00 O ATOM 547 CB VAL A 36 -0.950 -2.558 -6.225 1.00 0.00 C ATOM 548 CG1 VAL A 36 -0.683 -1.652 -5.022 1.00 0.00 C ATOM 549 CG2 VAL A 36 0.256 -2.526 -7.164 1.00 0.00 C ATOM 0 H VAL A 36 -2.252 -3.914 -3.899 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.305 -4.648 -6.604 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.835 -2.206 -6.755 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.519 -0.630 -5.365 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.541 -1.676 -4.351 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.202 -2.003 -4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.422 -1.505 -7.509 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.140 -2.878 -6.633 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.067 -3.172 -8.021 1.00 0.00 H new ATOM 559 N ASP A 37 0.852 -5.292 -5.488 1.00 0.00 N ATOM 560 CA ASP A 37 2.045 -5.780 -4.742 1.00 0.00 C ATOM 561 C ASP A 37 3.258 -4.922 -5.105 1.00 0.00 C ATOM 562 O ASP A 37 3.253 -4.207 -6.087 1.00 0.00 O ATOM 563 CB ASP A 37 2.320 -7.238 -5.118 1.00 0.00 C ATOM 564 CG ASP A 37 1.534 -8.162 -4.186 1.00 0.00 C ATOM 565 OD1 ASP A 37 1.465 -7.861 -3.005 1.00 0.00 O ATOM 566 OD2 ASP A 37 1.014 -9.155 -4.668 1.00 0.00 O ATOM 0 H ASP A 37 0.753 -5.658 -6.435 1.00 0.00 H new ATOM 0 HA ASP A 37 1.858 -5.710 -3.670 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.032 -7.418 -6.154 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.387 -7.449 -5.042 1.00 0.00 H new ATOM 571 N ILE A 38 4.301 -4.989 -4.323 1.00 0.00 N ATOM 572 CA ILE A 38 5.513 -4.177 -4.625 1.00 0.00 C ATOM 573 C ILE A 38 6.759 -5.054 -4.489 1.00 0.00 C ATOM 574 O ILE A 38 6.774 -6.017 -3.748 1.00 0.00 O ATOM 575 CB ILE A 38 5.603 -3.007 -3.644 1.00 0.00 C ATOM 576 CG1 ILE A 38 4.246 -2.304 -3.565 1.00 0.00 C ATOM 577 CG2 ILE A 38 6.663 -2.016 -4.127 1.00 0.00 C ATOM 578 CD1 ILE A 38 4.211 -1.398 -2.333 1.00 0.00 C ATOM 0 H ILE A 38 4.366 -5.571 -3.488 1.00 0.00 H new ATOM 0 HA ILE A 38 5.448 -3.792 -5.643 1.00 0.00 H new ATOM 0 HB ILE A 38 5.878 -3.380 -2.657 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.076 -1.716 -4.467 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.445 -3.041 -3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.727 -1.182 -3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.630 -2.516 -4.184 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.389 -1.642 -5.113 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.244 -0.897 -2.277 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.361 -1.998 -1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.002 -0.652 -2.407 1.00 0.00 H new ATOM 590 N GLU A 39 7.805 -4.731 -5.199 1.00 0.00 N ATOM 591 CA GLU A 39 9.048 -5.548 -5.109 1.00 0.00 C ATOM 592 C GLU A 39 10.269 -4.643 -5.280 1.00 0.00 C ATOM 593 O GLU A 39 10.247 -3.691 -6.034 1.00 0.00 O ATOM 594 CB GLU A 39 9.041 -6.610 -6.210 1.00 0.00 C ATOM 595 CG GLU A 39 9.053 -5.927 -7.579 1.00 0.00 C ATOM 596 CD GLU A 39 9.588 -6.901 -8.630 1.00 0.00 C ATOM 597 OE1 GLU A 39 9.560 -8.093 -8.375 1.00 0.00 O ATOM 598 OE2 GLU A 39 10.015 -6.436 -9.675 1.00 0.00 O ATOM 0 H GLU A 39 7.853 -3.937 -5.837 1.00 0.00 H new ATOM 0 HA GLU A 39 9.092 -6.035 -4.135 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.910 -7.260 -6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.158 -7.242 -6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.046 -5.605 -7.845 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.676 -5.033 -7.546 1.00 0.00 H new ATOM 605 N THR A 40 11.335 -4.933 -4.586 1.00 0.00 N ATOM 606 CA THR A 40 12.557 -4.090 -4.709 1.00 0.00 C ATOM 607 C THR A 40 13.798 -4.986 -4.703 1.00 0.00 C ATOM 608 O THR A 40 13.700 -6.196 -4.753 1.00 0.00 O ATOM 609 CB THR A 40 12.627 -3.115 -3.531 1.00 0.00 C ATOM 610 OG1 THR A 40 11.309 -2.819 -3.087 1.00 0.00 O ATOM 611 CG2 THR A 40 13.321 -1.826 -3.972 1.00 0.00 C ATOM 0 H THR A 40 11.412 -5.718 -3.939 1.00 0.00 H new ATOM 0 HA THR A 40 12.518 -3.529 -5.643 1.00 0.00 H new ATOM 0 HB THR A 40 13.193 -3.567 -2.717 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.993 -3.536 -2.498 1.00 0.00 H new ATOM 0 HG21 THR A 40 13.370 -1.133 -3.132 1.00 0.00 H new ATOM 0 HG22 THR A 40 14.331 -2.055 -4.313 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.758 -1.370 -4.786 1.00 0.00 H new ATOM 619 N ASP A 41 14.963 -4.401 -4.643 1.00 0.00 N ATOM 620 CA ASP A 41 16.209 -5.217 -4.635 1.00 0.00 C ATOM 621 C ASP A 41 16.031 -6.419 -3.706 1.00 0.00 C ATOM 622 O ASP A 41 16.052 -7.555 -4.134 1.00 0.00 O ATOM 623 CB ASP A 41 17.376 -4.359 -4.141 1.00 0.00 C ATOM 624 CG ASP A 41 18.667 -4.807 -4.827 1.00 0.00 C ATOM 625 OD1 ASP A 41 18.698 -4.806 -6.047 1.00 0.00 O ATOM 626 OD2 ASP A 41 19.603 -5.146 -4.122 1.00 0.00 O ATOM 0 H ASP A 41 15.105 -3.392 -4.599 1.00 0.00 H new ATOM 0 HA ASP A 41 16.417 -5.569 -5.645 1.00 0.00 H new ATOM 0 HB2 ASP A 41 17.184 -3.308 -4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.476 -4.451 -3.059 1.00 0.00 H new ATOM 631 N LYS A 42 15.855 -6.177 -2.435 1.00 0.00 N ATOM 632 CA LYS A 42 15.676 -7.306 -1.479 1.00 0.00 C ATOM 633 C LYS A 42 14.596 -6.942 -0.458 1.00 0.00 C ATOM 634 O LYS A 42 14.747 -7.169 0.725 1.00 0.00 O ATOM 635 CB LYS A 42 16.996 -7.574 -0.752 1.00 0.00 C ATOM 636 CG LYS A 42 17.815 -8.597 -1.542 1.00 0.00 C ATOM 637 CD LYS A 42 17.980 -9.869 -0.709 1.00 0.00 C ATOM 638 CE LYS A 42 19.225 -10.627 -1.175 1.00 0.00 C ATOM 639 NZ LYS A 42 20.126 -10.866 -0.013 1.00 0.00 N ATOM 0 H LYS A 42 15.828 -5.247 -2.018 1.00 0.00 H new ATOM 0 HA LYS A 42 15.374 -8.200 -2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 42 17.559 -6.647 -0.644 1.00 0.00 H new ATOM 0 HB3 LYS A 42 16.801 -7.947 0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 42 17.318 -8.828 -2.484 1.00 0.00 H new ATOM 0 HG3 LYS A 42 18.792 -8.183 -1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 42 18.070 -9.615 0.347 1.00 0.00 H new ATOM 0 HD3 LYS A 42 17.097 -10.500 -0.811 1.00 0.00 H new ATOM 0 HE2 LYS A 42 18.938 -11.576 -1.627 1.00 0.00 H new ATOM 0 HE3 LYS A 42 19.747 -10.054 -1.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 20.972 -11.381 -0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 20.410 -9.954 0.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 19.626 -11.430 0.704 1.00 0.00 H new ATOM 653 N VAL A 43 13.507 -6.380 -0.906 1.00 0.00 N ATOM 654 CA VAL A 43 12.419 -6.003 0.039 1.00 0.00 C ATOM 655 C VAL A 43 11.066 -6.128 -0.664 1.00 0.00 C ATOM 656 O VAL A 43 10.695 -5.298 -1.469 1.00 0.00 O ATOM 657 CB VAL A 43 12.622 -4.559 0.500 1.00 0.00 C ATOM 658 CG1 VAL A 43 11.832 -4.317 1.788 1.00 0.00 C ATOM 659 CG2 VAL A 43 14.110 -4.313 0.763 1.00 0.00 C ATOM 0 H VAL A 43 13.324 -6.166 -1.886 1.00 0.00 H new ATOM 0 HA VAL A 43 12.442 -6.667 0.903 1.00 0.00 H new ATOM 0 HB VAL A 43 12.270 -3.878 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.977 -3.288 2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.772 -4.493 1.603 1.00 0.00 H new ATOM 0 HG13 VAL A 43 12.183 -4.998 2.564 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.256 -3.284 1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.460 -4.995 1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.675 -4.485 -0.153 1.00 0.00 H new ATOM 669 N VAL A 44 10.325 -7.159 -0.365 1.00 0.00 N ATOM 670 CA VAL A 44 8.997 -7.337 -1.015 1.00 0.00 C ATOM 671 C VAL A 44 7.898 -6.822 -0.083 1.00 0.00 C ATOM 672 O VAL A 44 7.975 -6.967 1.121 1.00 0.00 O ATOM 673 CB VAL A 44 8.764 -8.820 -1.307 1.00 0.00 C ATOM 674 CG1 VAL A 44 7.400 -9.002 -1.976 1.00 0.00 C ATOM 675 CG2 VAL A 44 9.862 -9.334 -2.240 1.00 0.00 C ATOM 0 H VAL A 44 10.582 -7.886 0.302 1.00 0.00 H new ATOM 0 HA VAL A 44 8.974 -6.776 -1.949 1.00 0.00 H new ATOM 0 HB VAL A 44 8.787 -9.382 -0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.235 -10.059 -2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.617 -8.636 -1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.375 -8.441 -2.910 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.697 -10.391 -2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.839 -8.772 -3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.834 -9.206 -1.763 1.00 0.00 H new ATOM 685 N MET A 45 6.876 -6.221 -0.628 1.00 0.00 N ATOM 686 CA MET A 45 5.776 -5.698 0.228 1.00 0.00 C ATOM 687 C MET A 45 4.437 -5.889 -0.488 1.00 0.00 C ATOM 688 O MET A 45 4.376 -6.418 -1.580 1.00 0.00 O ATOM 689 CB MET A 45 6.002 -4.209 0.497 1.00 0.00 C ATOM 690 CG MET A 45 7.032 -4.043 1.616 1.00 0.00 C ATOM 691 SD MET A 45 6.178 -3.705 3.176 1.00 0.00 S ATOM 692 CE MET A 45 7.615 -3.107 4.097 1.00 0.00 C ATOM 0 H MET A 45 6.756 -6.070 -1.630 1.00 0.00 H new ATOM 0 HA MET A 45 5.763 -6.240 1.174 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.351 -3.714 -0.409 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.063 -3.733 0.779 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.635 -4.947 1.707 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.715 -3.227 1.378 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.312 -2.836 5.108 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.370 -3.891 4.142 1.00 0.00 H new ATOM 0 HE3 MET A 45 8.030 -2.232 3.596 1.00 0.00 H new ATOM 702 N GLU A 46 3.362 -5.462 0.117 1.00 0.00 N ATOM 703 CA GLU A 46 2.030 -5.619 -0.529 1.00 0.00 C ATOM 704 C GLU A 46 1.182 -4.375 -0.260 1.00 0.00 C ATOM 705 O GLU A 46 1.501 -3.568 0.591 1.00 0.00 O ATOM 706 CB GLU A 46 1.326 -6.850 0.046 1.00 0.00 C ATOM 707 CG GLU A 46 1.440 -6.838 1.571 1.00 0.00 C ATOM 708 CD GLU A 46 2.098 -8.136 2.045 1.00 0.00 C ATOM 709 OE1 GLU A 46 1.608 -9.192 1.680 1.00 0.00 O ATOM 710 OE2 GLU A 46 3.079 -8.051 2.763 1.00 0.00 O ATOM 0 H GLU A 46 3.350 -5.011 1.032 1.00 0.00 H new ATOM 0 HA GLU A 46 2.161 -5.744 -1.604 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.277 -6.854 -0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.774 -7.759 -0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.029 -5.980 1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.452 -6.734 2.019 1.00 0.00 H new ATOM 717 N VAL A 47 0.105 -4.211 -0.978 1.00 0.00 N ATOM 718 CA VAL A 47 -0.760 -3.017 -0.762 1.00 0.00 C ATOM 719 C VAL A 47 -2.230 -3.441 -0.787 1.00 0.00 C ATOM 720 O VAL A 47 -2.825 -3.596 -1.835 1.00 0.00 O ATOM 721 CB VAL A 47 -0.506 -1.996 -1.871 1.00 0.00 C ATOM 722 CG1 VAL A 47 -1.211 -0.683 -1.529 1.00 0.00 C ATOM 723 CG2 VAL A 47 0.999 -1.747 -1.999 1.00 0.00 C ATOM 0 H VAL A 47 -0.213 -4.852 -1.705 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.527 -2.570 0.204 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.894 -2.381 -2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.029 0.044 -2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.283 -0.859 -1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.824 -0.297 -0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.181 -1.019 -2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.386 -1.362 -1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.503 -2.682 -2.243 1.00 0.00 H new ATOM 733 N LEU A 48 -2.822 -3.629 0.362 1.00 0.00 N ATOM 734 CA LEU A 48 -4.248 -4.040 0.407 1.00 0.00 C ATOM 735 C LEU A 48 -5.113 -2.832 0.772 1.00 0.00 C ATOM 736 O LEU A 48 -4.634 -1.853 1.309 1.00 0.00 O ATOM 737 CB LEU A 48 -4.440 -5.139 1.458 1.00 0.00 C ATOM 738 CG LEU A 48 -3.292 -5.131 2.473 1.00 0.00 C ATOM 739 CD1 LEU A 48 -3.686 -5.963 3.695 1.00 0.00 C ATOM 740 CD2 LEU A 48 -2.040 -5.732 1.831 1.00 0.00 C ATOM 0 H LEU A 48 -2.375 -3.514 1.272 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.543 -4.422 -0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.389 -4.992 1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.491 -6.111 0.968 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.087 -4.106 2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.870 -5.958 4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.579 -5.537 4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.891 -6.988 3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.223 -5.727 2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.245 -6.757 1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.758 -5.141 0.960 1.00 0.00 H new ATOM 752 N ALA A 49 -6.385 -2.893 0.486 1.00 0.00 N ATOM 753 CA ALA A 49 -7.278 -1.747 0.818 1.00 0.00 C ATOM 754 C ALA A 49 -7.605 -1.772 2.312 1.00 0.00 C ATOM 755 O ALA A 49 -7.957 -2.795 2.864 1.00 0.00 O ATOM 756 CB ALA A 49 -8.574 -1.860 0.010 1.00 0.00 C ATOM 0 H ALA A 49 -6.844 -3.686 0.037 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.776 -0.811 0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.228 -1.022 0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.342 -1.843 -1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.076 -2.795 0.257 1.00 0.00 H new ATOM 762 N GLU A 50 -7.491 -0.652 2.972 1.00 0.00 N ATOM 763 CA GLU A 50 -7.795 -0.612 4.431 1.00 0.00 C ATOM 764 C GLU A 50 -9.293 -0.376 4.634 1.00 0.00 C ATOM 765 O GLU A 50 -9.742 -0.084 5.724 1.00 0.00 O ATOM 766 CB GLU A 50 -7.007 0.524 5.085 1.00 0.00 C ATOM 767 CG GLU A 50 -6.069 -0.051 6.148 1.00 0.00 C ATOM 768 CD GLU A 50 -6.860 -0.334 7.427 1.00 0.00 C ATOM 769 OE1 GLU A 50 -7.383 -1.429 7.546 1.00 0.00 O ATOM 770 OE2 GLU A 50 -6.929 0.549 8.266 1.00 0.00 O ATOM 0 H GLU A 50 -7.201 0.237 2.564 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.512 -1.561 4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.433 1.063 4.332 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.691 1.241 5.538 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.607 -0.968 5.783 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.262 0.652 6.355 1.00 0.00 H new ATOM 777 N ALA A 51 -10.069 -0.499 3.592 1.00 0.00 N ATOM 778 CA ALA A 51 -11.538 -0.282 3.727 1.00 0.00 C ATOM 779 C ALA A 51 -12.206 -0.458 2.363 1.00 0.00 C ATOM 780 O ALA A 51 -11.587 -0.290 1.330 1.00 0.00 O ATOM 781 CB ALA A 51 -11.797 1.134 4.243 1.00 0.00 C ATOM 0 H ALA A 51 -9.750 -0.740 2.654 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.951 -1.006 4.429 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.871 1.294 4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -11.320 1.260 5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.385 1.858 3.540 1.00 0.00 H new ATOM 787 N ASP A 52 -13.466 -0.797 2.348 1.00 0.00 N ATOM 788 CA ASP A 52 -14.172 -0.982 1.050 1.00 0.00 C ATOM 789 C ASP A 52 -14.261 0.362 0.324 1.00 0.00 C ATOM 790 O ASP A 52 -13.947 1.400 0.871 1.00 0.00 O ATOM 791 CB ASP A 52 -15.577 -1.555 1.315 1.00 0.00 C ATOM 792 CG ASP A 52 -16.575 -1.095 0.245 1.00 0.00 C ATOM 793 OD1 ASP A 52 -16.890 0.083 0.224 1.00 0.00 O ATOM 794 OD2 ASP A 52 -17.006 -1.931 -0.532 1.00 0.00 O ATOM 0 H ASP A 52 -14.037 -0.954 3.179 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.622 -1.681 0.419 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.532 -2.644 1.329 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.922 -1.237 2.299 1.00 0.00 H new ATOM 799 N GLY A 53 -14.688 0.343 -0.906 1.00 0.00 N ATOM 800 CA GLY A 53 -14.802 1.611 -1.680 1.00 0.00 C ATOM 801 C GLY A 53 -14.580 1.325 -3.166 1.00 0.00 C ATOM 802 O GLY A 53 -14.811 0.229 -3.638 1.00 0.00 O ATOM 0 H GLY A 53 -14.964 -0.499 -1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.786 2.055 -1.528 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.067 2.334 -1.324 1.00 0.00 H new ATOM 806 N VAL A 54 -14.133 2.301 -3.907 1.00 0.00 N ATOM 807 CA VAL A 54 -13.897 2.084 -5.362 1.00 0.00 C ATOM 808 C VAL A 54 -12.550 2.693 -5.756 1.00 0.00 C ATOM 809 O VAL A 54 -12.286 3.854 -5.511 1.00 0.00 O ATOM 810 CB VAL A 54 -15.013 2.753 -6.165 1.00 0.00 C ATOM 811 CG1 VAL A 54 -14.631 2.782 -7.646 1.00 0.00 C ATOM 812 CG2 VAL A 54 -16.311 1.962 -5.990 1.00 0.00 C ATOM 0 H VAL A 54 -13.921 3.239 -3.568 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.888 1.015 -5.573 1.00 0.00 H new ATOM 0 HB VAL A 54 -15.156 3.773 -5.807 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.427 3.259 -8.218 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.706 3.345 -7.772 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.487 1.763 -8.005 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -17.107 2.438 -6.562 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -16.167 0.943 -6.348 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -16.585 1.941 -4.935 1.00 0.00 H new ATOM 822 N ILE A 55 -11.695 1.920 -6.369 1.00 0.00 N ATOM 823 CA ILE A 55 -10.367 2.455 -6.778 1.00 0.00 C ATOM 824 C ILE A 55 -10.564 3.685 -7.668 1.00 0.00 C ATOM 825 O ILE A 55 -11.641 3.930 -8.175 1.00 0.00 O ATOM 826 CB ILE A 55 -9.601 1.382 -7.549 1.00 0.00 C ATOM 827 CG1 ILE A 55 -9.139 0.301 -6.566 1.00 0.00 C ATOM 828 CG2 ILE A 55 -8.386 2.015 -8.234 1.00 0.00 C ATOM 829 CD1 ILE A 55 -8.040 -0.545 -7.206 1.00 0.00 C ATOM 0 H ILE A 55 -11.860 0.941 -6.604 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.800 2.737 -5.891 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.245 0.937 -8.308 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.768 0.763 -5.651 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.981 -0.332 -6.285 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.839 1.250 -8.784 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.720 2.790 -8.924 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.733 2.457 -7.481 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.715 -1.312 -6.503 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.425 -1.020 -8.108 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.194 0.092 -7.464 1.00 0.00 H new ATOM 841 N ALA A 56 -9.533 4.460 -7.862 1.00 0.00 N ATOM 842 CA ALA A 56 -9.664 5.672 -8.719 1.00 0.00 C ATOM 843 C ALA A 56 -8.993 5.418 -10.070 1.00 0.00 C ATOM 844 O ALA A 56 -9.636 5.411 -11.101 1.00 0.00 O ATOM 845 CB ALA A 56 -8.986 6.859 -8.030 1.00 0.00 C ATOM 0 H ALA A 56 -8.606 4.307 -7.465 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.720 5.894 -8.874 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.081 7.746 -8.656 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.463 7.042 -7.067 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.930 6.636 -7.876 1.00 0.00 H new ATOM 851 N GLU A 57 -7.705 5.208 -10.074 1.00 0.00 N ATOM 852 CA GLU A 57 -6.996 4.954 -11.360 1.00 0.00 C ATOM 853 C GLU A 57 -5.508 4.722 -11.085 1.00 0.00 C ATOM 854 O GLU A 57 -4.927 5.330 -10.208 1.00 0.00 O ATOM 855 CB GLU A 57 -7.162 6.165 -12.281 1.00 0.00 C ATOM 856 CG GLU A 57 -7.141 7.447 -11.447 1.00 0.00 C ATOM 857 CD GLU A 57 -6.729 8.625 -12.331 1.00 0.00 C ATOM 858 OE1 GLU A 57 -5.843 8.444 -13.150 1.00 0.00 O ATOM 859 OE2 GLU A 57 -7.307 9.688 -12.174 1.00 0.00 O ATOM 0 H GLU A 57 -7.113 5.201 -9.243 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.418 4.071 -11.840 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.361 6.186 -13.020 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.100 6.091 -12.831 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.125 7.629 -11.016 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.444 7.341 -10.616 1.00 0.00 H new ATOM 866 N ILE A 58 -4.888 3.846 -11.827 1.00 0.00 N ATOM 867 CA ILE A 58 -3.439 3.577 -11.607 1.00 0.00 C ATOM 868 C ILE A 58 -2.623 4.230 -12.724 1.00 0.00 C ATOM 869 O ILE A 58 -2.839 3.978 -13.893 1.00 0.00 O ATOM 870 CB ILE A 58 -3.194 2.067 -11.612 1.00 0.00 C ATOM 871 CG1 ILE A 58 -4.070 1.404 -10.545 1.00 0.00 C ATOM 872 CG2 ILE A 58 -1.721 1.787 -11.308 1.00 0.00 C ATOM 873 CD1 ILE A 58 -3.937 2.170 -9.227 1.00 0.00 C ATOM 0 H ILE A 58 -5.322 3.305 -12.575 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.135 3.991 -10.646 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.446 1.662 -12.592 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.111 1.394 -10.869 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.769 0.366 -10.406 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.547 0.711 -11.312 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.097 2.258 -12.067 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.468 2.192 -10.328 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.560 1.698 -8.467 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.897 2.157 -8.902 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.259 3.201 -9.371 1.00 0.00 H new ATOM 885 N VAL A 59 -1.687 5.070 -12.374 1.00 0.00 N ATOM 886 CA VAL A 59 -0.858 5.738 -13.417 1.00 0.00 C ATOM 887 C VAL A 59 0.375 4.883 -13.716 1.00 0.00 C ATOM 888 O VAL A 59 1.001 5.018 -14.748 1.00 0.00 O ATOM 889 CB VAL A 59 -0.415 7.112 -12.913 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.522 7.755 -13.936 1.00 0.00 C ATOM 891 CG2 VAL A 59 -1.644 8.003 -12.720 1.00 0.00 C ATOM 0 H VAL A 59 -1.461 5.322 -11.412 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.446 5.856 -14.327 1.00 0.00 H new ATOM 0 HB VAL A 59 0.108 6.999 -11.963 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.837 8.734 -13.576 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.398 7.121 -14.076 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.000 7.869 -14.886 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.330 8.983 -12.361 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.165 8.115 -13.671 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.313 7.547 -11.991 1.00 0.00 H new ATOM 901 N LYS A 60 0.729 4.003 -12.820 1.00 0.00 N ATOM 902 CA LYS A 60 1.922 3.140 -13.054 1.00 0.00 C ATOM 903 C LYS A 60 1.484 1.678 -13.149 1.00 0.00 C ATOM 904 O LYS A 60 0.766 1.180 -12.304 1.00 0.00 O ATOM 905 CB LYS A 60 2.906 3.304 -11.894 1.00 0.00 C ATOM 906 CG LYS A 60 4.249 3.804 -12.429 1.00 0.00 C ATOM 907 CD LYS A 60 4.070 5.194 -13.043 1.00 0.00 C ATOM 908 CE LYS A 60 5.333 6.023 -12.808 1.00 0.00 C ATOM 909 NZ LYS A 60 5.609 6.861 -14.008 1.00 0.00 N ATOM 0 H LYS A 60 0.244 3.844 -11.937 1.00 0.00 H new ATOM 0 HA LYS A 60 2.406 3.435 -13.985 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.509 4.009 -11.163 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.039 2.352 -11.379 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.982 3.843 -11.623 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.635 3.112 -13.177 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.872 5.108 -14.111 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.208 5.691 -12.598 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.206 6.657 -11.930 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.180 5.366 -12.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.468 7.425 -13.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.747 6.247 -14.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.805 7.497 -14.180 1.00 0.00 H new ATOM 923 N ASN A 61 1.909 0.986 -14.170 1.00 0.00 N ATOM 924 CA ASN A 61 1.515 -0.444 -14.317 1.00 0.00 C ATOM 925 C ASN A 61 2.511 -1.327 -13.563 1.00 0.00 C ATOM 926 O ASN A 61 3.638 -0.941 -13.319 1.00 0.00 O ATOM 927 CB ASN A 61 1.517 -0.824 -15.799 1.00 0.00 C ATOM 928 CG ASN A 61 0.182 -0.428 -16.431 1.00 0.00 C ATOM 929 OD1 ASN A 61 -0.725 -1.232 -16.516 1.00 0.00 O ATOM 930 ND2 ASN A 61 0.021 0.787 -16.881 1.00 0.00 N ATOM 0 H ASN A 61 2.512 1.349 -14.909 1.00 0.00 H new ATOM 0 HA ASN A 61 0.516 -0.590 -13.906 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.337 -0.322 -16.313 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.680 -1.896 -15.910 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.866 1.061 -17.304 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.782 1.462 -16.810 1.00 0.00 H new ATOM 937 N GLU A 62 2.105 -2.510 -13.191 1.00 0.00 N ATOM 938 CA GLU A 62 3.029 -3.416 -12.454 1.00 0.00 C ATOM 939 C GLU A 62 4.252 -3.716 -13.322 1.00 0.00 C ATOM 940 O GLU A 62 4.183 -3.701 -14.535 1.00 0.00 O ATOM 941 CB GLU A 62 2.305 -4.723 -12.124 1.00 0.00 C ATOM 942 CG GLU A 62 1.485 -5.173 -13.334 1.00 0.00 C ATOM 943 CD GLU A 62 1.957 -6.556 -13.785 1.00 0.00 C ATOM 944 OE1 GLU A 62 1.736 -7.504 -13.048 1.00 0.00 O ATOM 945 OE2 GLU A 62 2.531 -6.644 -14.858 1.00 0.00 O ATOM 0 H GLU A 62 1.174 -2.888 -13.366 1.00 0.00 H new ATOM 0 HA GLU A 62 3.350 -2.934 -11.530 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.028 -5.493 -11.855 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.653 -4.582 -11.262 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.426 -5.204 -13.078 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.595 -4.456 -14.148 1.00 0.00 H new ATOM 952 N GLY A 63 5.373 -3.988 -12.711 1.00 0.00 N ATOM 953 CA GLY A 63 6.599 -4.287 -13.504 1.00 0.00 C ATOM 954 C GLY A 63 7.325 -2.983 -13.835 1.00 0.00 C ATOM 955 O GLY A 63 8.443 -2.986 -14.311 1.00 0.00 O ATOM 0 H GLY A 63 5.493 -4.016 -11.698 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.257 -4.949 -12.940 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.332 -4.810 -14.422 1.00 0.00 H new ATOM 959 N ASP A 64 6.697 -1.864 -13.588 1.00 0.00 N ATOM 960 CA ASP A 64 7.353 -0.561 -13.890 1.00 0.00 C ATOM 961 C ASP A 64 8.169 -0.111 -12.675 1.00 0.00 C ATOM 962 O ASP A 64 8.092 -0.689 -11.609 1.00 0.00 O ATOM 963 CB ASP A 64 6.272 0.480 -14.239 1.00 0.00 C ATOM 964 CG ASP A 64 6.711 1.893 -13.836 1.00 0.00 C ATOM 965 OD1 ASP A 64 6.471 2.265 -12.700 1.00 0.00 O ATOM 966 OD2 ASP A 64 7.279 2.576 -14.672 1.00 0.00 O ATOM 0 H ASP A 64 5.760 -1.797 -13.191 1.00 0.00 H new ATOM 0 HA ASP A 64 8.026 -0.666 -14.741 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.068 0.451 -15.309 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.342 0.227 -13.730 1.00 0.00 H new ATOM 971 N THR A 65 8.949 0.919 -12.836 1.00 0.00 N ATOM 972 CA THR A 65 9.776 1.418 -11.701 1.00 0.00 C ATOM 973 C THR A 65 8.999 2.492 -10.937 1.00 0.00 C ATOM 974 O THR A 65 8.228 3.238 -11.508 1.00 0.00 O ATOM 975 CB THR A 65 11.077 2.016 -12.241 1.00 0.00 C ATOM 976 OG1 THR A 65 11.807 1.011 -12.932 1.00 0.00 O ATOM 977 CG2 THR A 65 11.914 2.552 -11.080 1.00 0.00 C ATOM 0 H THR A 65 9.051 1.440 -13.707 1.00 0.00 H new ATOM 0 HA THR A 65 10.008 0.591 -11.030 1.00 0.00 H new ATOM 0 HB THR A 65 10.846 2.832 -12.925 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.640 1.393 -13.280 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.840 2.978 -11.465 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.353 3.323 -10.552 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.147 1.738 -10.393 1.00 0.00 H new ATOM 985 N VAL A 66 9.196 2.577 -9.650 1.00 0.00 N ATOM 986 CA VAL A 66 8.467 3.603 -8.851 1.00 0.00 C ATOM 987 C VAL A 66 9.477 4.533 -8.175 1.00 0.00 C ATOM 988 O VAL A 66 10.673 4.368 -8.306 1.00 0.00 O ATOM 989 CB VAL A 66 7.618 2.910 -7.785 1.00 0.00 C ATOM 990 CG1 VAL A 66 6.473 2.152 -8.457 1.00 0.00 C ATOM 991 CG2 VAL A 66 8.490 1.925 -7.002 1.00 0.00 C ATOM 0 H VAL A 66 9.830 1.981 -9.117 1.00 0.00 H new ATOM 0 HA VAL A 66 7.820 4.185 -9.508 1.00 0.00 H new ATOM 0 HB VAL A 66 7.209 3.657 -7.104 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.868 1.658 -7.697 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.852 2.852 -9.017 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.881 1.405 -9.138 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.886 1.430 -6.241 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.898 1.179 -7.684 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.307 2.464 -6.523 1.00 0.00 H new ATOM 1001 N LEU A 67 9.004 5.511 -7.452 1.00 0.00 N ATOM 1002 CA LEU A 67 9.937 6.451 -6.768 1.00 0.00 C ATOM 1003 C LEU A 67 9.535 6.589 -5.298 1.00 0.00 C ATOM 1004 O LEU A 67 8.434 6.253 -4.911 1.00 0.00 O ATOM 1005 CB LEU A 67 9.870 7.820 -7.447 1.00 0.00 C ATOM 1006 CG LEU A 67 11.257 8.464 -7.441 1.00 0.00 C ATOM 1007 CD1 LEU A 67 11.579 8.999 -8.837 1.00 0.00 C ATOM 1008 CD2 LEU A 67 11.278 9.618 -6.435 1.00 0.00 C ATOM 0 H LEU A 67 8.012 5.700 -7.305 1.00 0.00 H new ATOM 0 HA LEU A 67 10.954 6.064 -6.831 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.512 7.712 -8.471 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.158 8.461 -6.927 1.00 0.00 H new ATOM 0 HG LEU A 67 12.001 7.720 -7.158 1.00 0.00 H new ATOM 0 HD11 LEU A 67 12.568 9.458 -8.832 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.564 8.178 -9.554 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.835 9.743 -9.122 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.266 10.078 -6.430 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.533 10.362 -6.719 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.050 9.237 -5.440 1.00 0.00 H new ATOM 1020 N SER A 68 10.420 7.084 -4.475 1.00 0.00 N ATOM 1021 CA SER A 68 10.088 7.242 -3.032 1.00 0.00 C ATOM 1022 C SER A 68 8.968 8.273 -2.877 1.00 0.00 C ATOM 1023 O SER A 68 9.205 9.465 -2.863 1.00 0.00 O ATOM 1024 CB SER A 68 11.327 7.719 -2.274 1.00 0.00 C ATOM 1025 OG SER A 68 10.925 8.553 -1.194 1.00 0.00 O ATOM 0 H SER A 68 11.358 7.385 -4.741 1.00 0.00 H new ATOM 0 HA SER A 68 9.760 6.285 -2.627 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.889 6.864 -1.899 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.989 8.267 -2.945 1.00 0.00 H new ATOM 0 HG SER A 68 10.460 9.341 -1.545 1.00 0.00 H new ATOM 1031 N GLY A 69 7.748 7.825 -2.760 1.00 0.00 N ATOM 1032 CA GLY A 69 6.614 8.780 -2.605 1.00 0.00 C ATOM 1033 C GLY A 69 5.916 8.967 -3.953 1.00 0.00 C ATOM 1034 O GLY A 69 5.332 9.997 -4.223 1.00 0.00 O ATOM 0 H GLY A 69 7.487 6.839 -2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.906 8.404 -1.866 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.980 9.739 -2.237 1.00 0.00 H new ATOM 1038 N GLU A 70 5.972 7.978 -4.804 1.00 0.00 N ATOM 1039 CA GLU A 70 5.312 8.100 -6.133 1.00 0.00 C ATOM 1040 C GLU A 70 3.832 7.737 -6.003 1.00 0.00 C ATOM 1041 O GLU A 70 3.479 6.730 -5.422 1.00 0.00 O ATOM 1042 CB GLU A 70 5.985 7.151 -7.127 1.00 0.00 C ATOM 1043 CG GLU A 70 5.311 7.281 -8.494 1.00 0.00 C ATOM 1044 CD GLU A 70 6.298 7.885 -9.494 1.00 0.00 C ATOM 1045 OE1 GLU A 70 7.363 7.315 -9.664 1.00 0.00 O ATOM 1046 OE2 GLU A 70 5.972 8.907 -10.075 1.00 0.00 O ATOM 0 H GLU A 70 6.447 7.091 -4.635 1.00 0.00 H new ATOM 0 HA GLU A 70 5.404 9.125 -6.491 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.046 7.386 -7.209 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.913 6.123 -6.771 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.978 6.303 -8.841 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.425 7.911 -8.416 1.00 0.00 H new ATOM 1053 N LEU A 71 2.962 8.548 -6.541 1.00 0.00 N ATOM 1054 CA LEU A 71 1.505 8.248 -6.447 1.00 0.00 C ATOM 1055 C LEU A 71 1.135 7.186 -7.485 1.00 0.00 C ATOM 1056 O LEU A 71 1.221 7.414 -8.676 1.00 0.00 O ATOM 1057 CB LEU A 71 0.703 9.522 -6.712 1.00 0.00 C ATOM 1058 CG LEU A 71 -0.791 9.218 -6.604 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -1.516 10.421 -5.999 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -1.355 8.932 -7.997 1.00 0.00 C ATOM 0 H LEU A 71 3.197 9.405 -7.041 1.00 0.00 H new ATOM 0 HA LEU A 71 1.275 7.876 -5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.980 10.294 -5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.935 9.910 -7.704 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.938 8.347 -5.965 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.581 10.203 -5.922 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.115 10.626 -5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.369 11.293 -6.637 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.420 8.715 -7.921 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.207 9.803 -8.635 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.840 8.074 -8.429 1.00 0.00 H new ATOM 1072 N LEU A 72 0.725 6.029 -7.044 1.00 0.00 N ATOM 1073 CA LEU A 72 0.351 4.955 -8.007 1.00 0.00 C ATOM 1074 C LEU A 72 -1.143 5.048 -8.319 1.00 0.00 C ATOM 1075 O LEU A 72 -1.606 4.572 -9.337 1.00 0.00 O ATOM 1076 CB LEU A 72 0.659 3.588 -7.393 1.00 0.00 C ATOM 1077 CG LEU A 72 1.933 3.683 -6.551 1.00 0.00 C ATOM 1078 CD1 LEU A 72 2.281 2.301 -5.994 1.00 0.00 C ATOM 1079 CD2 LEU A 72 3.085 4.182 -7.428 1.00 0.00 C ATOM 0 H LEU A 72 0.633 5.781 -6.059 1.00 0.00 H new ATOM 0 HA LEU A 72 0.923 5.077 -8.927 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.175 3.259 -6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.785 2.844 -8.180 1.00 0.00 H new ATOM 0 HG LEU A 72 1.773 4.378 -5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.189 2.368 -5.394 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.461 1.942 -5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.442 1.606 -6.818 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.994 4.251 -6.830 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.244 3.485 -8.251 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.838 5.166 -7.828 1.00 0.00 H new ATOM 1091 N GLY A 73 -1.903 5.659 -7.451 1.00 0.00 N ATOM 1092 CA GLY A 73 -3.368 5.782 -7.700 1.00 0.00 C ATOM 1093 C GLY A 73 -4.055 6.327 -6.446 1.00 0.00 C ATOM 1094 O GLY A 73 -3.428 6.540 -5.427 1.00 0.00 O ATOM 0 H GLY A 73 -1.573 6.078 -6.581 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.550 6.446 -8.545 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.786 4.810 -7.963 1.00 0.00 H new ATOM 1098 N LYS A 74 -5.338 6.553 -6.512 1.00 0.00 N ATOM 1099 CA LYS A 74 -6.063 7.083 -5.322 1.00 0.00 C ATOM 1100 C LYS A 74 -7.230 6.156 -4.981 1.00 0.00 C ATOM 1101 O LYS A 74 -7.933 5.680 -5.852 1.00 0.00 O ATOM 1102 CB LYS A 74 -6.597 8.482 -5.634 1.00 0.00 C ATOM 1103 CG LYS A 74 -5.423 9.445 -5.828 1.00 0.00 C ATOM 1104 CD LYS A 74 -5.817 10.837 -5.330 1.00 0.00 C ATOM 1105 CE LYS A 74 -4.851 11.877 -5.901 1.00 0.00 C ATOM 1106 NZ LYS A 74 -4.219 12.635 -4.785 1.00 0.00 N ATOM 0 H LYS A 74 -5.916 6.394 -7.337 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.381 7.134 -4.473 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.212 8.456 -6.533 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.235 8.829 -4.821 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.550 9.086 -5.283 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.145 9.489 -6.881 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.838 11.068 -5.634 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.795 10.865 -4.241 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.085 11.386 -6.501 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.385 12.560 -6.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.562 13.342 -5.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.956 13.115 -4.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.697 11.978 -4.171 1.00 0.00 H new ATOM 1120 N LEU A 75 -7.443 5.894 -3.721 1.00 0.00 N ATOM 1121 CA LEU A 75 -8.566 4.998 -3.325 1.00 0.00 C ATOM 1122 C LEU A 75 -9.797 5.841 -2.987 1.00 0.00 C ATOM 1123 O LEU A 75 -9.691 6.920 -2.438 1.00 0.00 O ATOM 1124 CB LEU A 75 -8.157 4.178 -2.100 1.00 0.00 C ATOM 1125 CG LEU A 75 -9.174 3.058 -1.871 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -8.553 1.717 -2.260 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -9.570 3.025 -0.393 1.00 0.00 C ATOM 0 H LEU A 75 -6.888 6.262 -2.948 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.802 4.326 -4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.163 3.756 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.104 4.820 -1.221 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.058 3.240 -2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.278 0.919 -2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.269 1.739 -3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.669 1.535 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.295 2.228 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.685 2.843 0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.013 3.981 -0.114 1.00 0.00 H new ATOM 1139 N THR A 76 -10.966 5.358 -3.309 1.00 0.00 N ATOM 1140 CA THR A 76 -12.201 6.133 -3.005 1.00 0.00 C ATOM 1141 C THR A 76 -12.950 5.466 -1.849 1.00 0.00 C ATOM 1142 O THR A 76 -12.609 4.381 -1.419 1.00 0.00 O ATOM 1143 CB THR A 76 -13.100 6.166 -4.243 1.00 0.00 C ATOM 1144 OG1 THR A 76 -12.321 6.501 -5.382 1.00 0.00 O ATOM 1145 CG2 THR A 76 -14.201 7.210 -4.049 1.00 0.00 C ATOM 0 H THR A 76 -11.119 4.461 -3.769 1.00 0.00 H new ATOM 0 HA THR A 76 -11.931 7.151 -2.724 1.00 0.00 H new ATOM 0 HB THR A 76 -13.555 5.186 -4.389 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.017 5.680 -5.823 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.841 7.233 -4.931 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.798 6.951 -3.175 1.00 0.00 H new ATOM 0 HG23 THR A 76 -13.750 8.191 -3.903 1.00 0.00 H new