USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 700 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 170:sc= -0.0428 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0495 X(o=-0.05,f=-0.23) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 21:sc= 0.57 USER MOD Single : A 31 THR OG1 : rot 180:sc= -2.54! USER MOD Single : A 35 HIS :FLIP no HD1:sc= -0.561 F(o=-1.4,f=-0.56) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 22:sc= 0.117 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.22) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0155 USER MOD Single : A 62 SER OG : rot 43:sc= 0.869 USER MOD Single : A 64 LYS NZ :NH3+ 158:sc= -0.0711 (180deg=-0.372) USER MOD Single : A 65 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.42) USER MOD Single : A 68 SER OG : rot -56:sc= 0.979 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0.726 K(o=0.73,f=-0.046) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot -120:sc= 1.64 USER MOD Single : A 78 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.4!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0.0249 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 17:sc= 0.327 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.234 -36.895 13.518 1.00 0.00 N ATOM 2 CA GLY A 1 15.878 -36.254 12.338 1.00 0.00 C ATOM 3 C GLY A 1 15.375 -34.844 12.098 1.00 0.00 C ATOM 4 O GLY A 1 15.992 -33.874 12.537 1.00 0.00 O ATOM 0 H1 GLY A 1 15.611 -37.857 13.640 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.435 -36.334 14.370 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.206 -36.943 13.369 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.958 -36.231 12.485 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.690 -36.860 11.451 1.00 0.00 H new ATOM 10 N SER A 2 14.250 -34.731 11.396 1.00 0.00 N ATOM 11 CA SER A 2 13.665 -33.429 11.098 1.00 0.00 C ATOM 12 C SER A 2 12.417 -33.188 11.941 1.00 0.00 C ATOM 13 O SER A 2 11.330 -33.662 11.610 1.00 0.00 O ATOM 14 CB SER A 2 13.317 -33.333 9.611 1.00 0.00 C ATOM 15 OG SER A 2 12.784 -32.058 9.294 1.00 0.00 O ATOM 0 H SER A 2 13.727 -35.524 11.024 1.00 0.00 H new ATOM 0 HA SER A 2 14.400 -32.662 11.343 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.209 -33.517 9.013 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.595 -34.107 9.352 1.00 0.00 H new ATOM 0 HG SER A 2 12.720 -31.963 8.321 1.00 0.00 H new ATOM 21 N SER A 3 12.581 -32.447 13.032 1.00 0.00 N ATOM 22 CA SER A 3 11.467 -32.143 13.924 1.00 0.00 C ATOM 23 C SER A 3 10.726 -30.892 13.462 1.00 0.00 C ATOM 24 O SER A 3 11.240 -29.779 13.572 1.00 0.00 O ATOM 25 CB SER A 3 11.970 -31.953 15.356 1.00 0.00 C ATOM 26 OG SER A 3 11.047 -32.477 16.295 1.00 0.00 O ATOM 0 H SER A 3 13.474 -32.046 13.320 1.00 0.00 H new ATOM 0 HA SER A 3 10.774 -32.984 13.899 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.934 -32.447 15.475 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.129 -30.892 15.551 1.00 0.00 H new ATOM 0 HG SER A 3 11.393 -32.345 17.202 1.00 0.00 H new ATOM 32 N GLY A 4 9.517 -31.084 12.944 1.00 0.00 N ATOM 33 CA GLY A 4 8.725 -29.962 12.474 1.00 0.00 C ATOM 34 C GLY A 4 8.133 -30.206 11.100 1.00 0.00 C ATOM 35 O GLY A 4 6.950 -29.945 10.872 1.00 0.00 O ATOM 0 H GLY A 4 9.072 -31.996 12.841 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.921 -29.766 13.183 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.348 -29.068 12.444 1.00 0.00 H new ATOM 39 N SER A 5 8.954 -30.707 10.184 1.00 0.00 N ATOM 40 CA SER A 5 8.505 -30.985 8.826 1.00 0.00 C ATOM 41 C SER A 5 7.698 -32.280 8.772 1.00 0.00 C ATOM 42 O SER A 5 6.476 -32.256 8.625 1.00 0.00 O ATOM 43 CB SER A 5 9.703 -31.079 7.878 1.00 0.00 C ATOM 44 OG SER A 5 10.188 -29.790 7.541 1.00 0.00 O ATOM 0 H SER A 5 9.934 -30.929 10.358 1.00 0.00 H new ATOM 0 HA SER A 5 7.862 -30.164 8.509 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.498 -31.659 8.347 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.413 -31.611 6.972 1.00 0.00 H new ATOM 0 HG SER A 5 10.954 -29.877 6.936 1.00 0.00 H new ATOM 50 N SER A 6 8.391 -33.407 8.892 1.00 0.00 N ATOM 51 CA SER A 6 7.739 -34.711 8.858 1.00 0.00 C ATOM 52 C SER A 6 7.439 -35.208 10.269 1.00 0.00 C ATOM 53 O SER A 6 7.655 -34.494 11.248 1.00 0.00 O ATOM 54 CB SER A 6 8.620 -35.726 8.125 1.00 0.00 C ATOM 55 OG SER A 6 9.166 -35.167 6.942 1.00 0.00 O ATOM 0 H SER A 6 9.403 -33.444 9.014 1.00 0.00 H new ATOM 0 HA SER A 6 6.796 -34.603 8.322 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.426 -36.054 8.782 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.032 -36.610 7.876 1.00 0.00 H new ATOM 0 HG SER A 6 9.726 -35.834 6.493 1.00 0.00 H new ATOM 61 N GLY A 7 6.938 -36.436 10.364 1.00 0.00 N ATOM 62 CA GLY A 7 6.617 -37.009 11.658 1.00 0.00 C ATOM 63 C GLY A 7 5.131 -37.268 11.831 1.00 0.00 C ATOM 64 O GLY A 7 4.657 -37.463 12.951 1.00 0.00 O ATOM 0 H GLY A 7 6.749 -37.044 9.567 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.162 -37.945 11.782 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.958 -36.335 12.444 1.00 0.00 H new ATOM 68 N GLN A 8 4.394 -37.274 10.723 1.00 0.00 N ATOM 69 CA GLN A 8 2.955 -37.513 10.764 1.00 0.00 C ATOM 70 C GLN A 8 2.354 -37.449 9.364 1.00 0.00 C ATOM 71 O GLN A 8 1.489 -38.252 9.012 1.00 0.00 O ATOM 72 CB GLN A 8 2.269 -36.491 11.674 1.00 0.00 C ATOM 73 CG GLN A 8 2.756 -35.066 11.464 1.00 0.00 C ATOM 74 CD GLN A 8 1.655 -34.135 10.995 1.00 0.00 C ATOM 75 OE1 GLN A 8 0.534 -34.175 11.504 1.00 0.00 O ATOM 76 NE2 GLN A 8 1.969 -33.291 10.019 1.00 0.00 N ATOM 0 H GLN A 8 4.769 -37.116 9.788 1.00 0.00 H new ATOM 0 HA GLN A 8 2.790 -38.513 11.166 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.193 -36.528 11.502 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.435 -36.773 12.714 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.173 -34.688 12.397 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.563 -35.066 10.731 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.911 -33.293 9.627 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.269 -32.641 9.662 1.00 0.00 H new ATOM 85 N ALA A 9 2.816 -36.489 8.569 1.00 0.00 N ATOM 86 CA ALA A 9 2.322 -36.322 7.206 1.00 0.00 C ATOM 87 C ALA A 9 3.070 -35.204 6.486 1.00 0.00 C ATOM 88 O ALA A 9 3.998 -34.611 7.034 1.00 0.00 O ATOM 89 CB ALA A 9 0.828 -36.038 7.217 1.00 0.00 C ATOM 0 H ALA A 9 3.531 -35.816 8.844 1.00 0.00 H new ATOM 0 HA ALA A 9 2.499 -37.251 6.664 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.473 -35.916 6.194 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.303 -36.870 7.686 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.635 -35.124 7.779 1.00 0.00 H new ATOM 95 N LEU A 10 2.657 -34.922 5.254 1.00 0.00 N ATOM 96 CA LEU A 10 3.287 -33.875 4.458 1.00 0.00 C ATOM 97 C LEU A 10 2.416 -33.503 3.263 1.00 0.00 C ATOM 98 O LEU A 10 2.443 -34.171 2.229 1.00 0.00 O ATOM 99 CB LEU A 10 4.666 -34.330 3.977 1.00 0.00 C ATOM 100 CG LEU A 10 5.722 -33.227 3.904 1.00 0.00 C ATOM 101 CD1 LEU A 10 6.194 -32.846 5.299 1.00 0.00 C ATOM 102 CD2 LEU A 10 6.896 -33.670 3.045 1.00 0.00 C ATOM 0 H LEU A 10 1.889 -35.404 4.786 1.00 0.00 H new ATOM 0 HA LEU A 10 3.403 -32.994 5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.026 -35.113 4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.560 -34.777 2.988 1.00 0.00 H new ATOM 0 HG LEU A 10 5.271 -32.348 3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.945 -32.060 5.227 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.347 -32.486 5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.628 -33.719 5.787 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.638 -32.873 3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.347 -34.563 3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.546 -33.892 2.037 1.00 0.00 H new ATOM 114 N ALA A 11 1.645 -32.430 3.410 1.00 0.00 N ATOM 115 CA ALA A 11 0.767 -31.969 2.342 1.00 0.00 C ATOM 116 C ALA A 11 1.437 -30.876 1.516 1.00 0.00 C ATOM 117 O ALA A 11 1.888 -29.866 2.056 1.00 0.00 O ATOM 118 CB ALA A 11 -0.547 -31.466 2.921 1.00 0.00 C ATOM 0 H ALA A 11 1.611 -31.864 4.258 1.00 0.00 H new ATOM 0 HA ALA A 11 0.562 -32.812 1.682 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.194 -31.125 2.113 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.039 -32.274 3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.351 -30.639 3.603 1.00 0.00 H new ATOM 124 N SER A 12 1.498 -31.086 0.206 1.00 0.00 N ATOM 125 CA SER A 12 2.113 -30.118 -0.695 1.00 0.00 C ATOM 126 C SER A 12 1.055 -29.257 -1.375 1.00 0.00 C ATOM 127 O SER A 12 0.421 -29.682 -2.341 1.00 0.00 O ATOM 128 CB SER A 12 2.956 -30.837 -1.750 1.00 0.00 C ATOM 129 OG SER A 12 3.473 -29.922 -2.701 1.00 0.00 O ATOM 0 H SER A 12 1.129 -31.917 -0.256 1.00 0.00 H new ATOM 0 HA SER A 12 2.758 -29.468 -0.103 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.777 -31.365 -1.266 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.348 -31.587 -2.256 1.00 0.00 H new ATOM 0 HG SER A 12 4.009 -30.406 -3.363 1.00 0.00 H new ATOM 135 N ASP A 13 0.869 -28.043 -0.865 1.00 0.00 N ATOM 136 CA ASP A 13 -0.113 -27.121 -1.425 1.00 0.00 C ATOM 137 C ASP A 13 0.194 -25.683 -1.018 1.00 0.00 C ATOM 138 O ASP A 13 -0.094 -25.271 0.105 1.00 0.00 O ATOM 139 CB ASP A 13 -1.521 -27.503 -0.968 1.00 0.00 C ATOM 140 CG ASP A 13 -2.600 -26.848 -1.809 1.00 0.00 C ATOM 141 OD1 ASP A 13 -2.367 -26.648 -3.020 1.00 0.00 O ATOM 142 OD2 ASP A 13 -3.675 -26.536 -1.257 1.00 0.00 O ATOM 0 H ASP A 13 1.385 -27.675 -0.066 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.060 -27.190 -2.511 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.634 -28.586 -1.016 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.652 -27.215 0.075 1.00 0.00 H new ATOM 147 N SER A 14 0.780 -24.926 -1.940 1.00 0.00 N ATOM 148 CA SER A 14 1.126 -23.533 -1.679 1.00 0.00 C ATOM 149 C SER A 14 1.200 -22.740 -2.979 1.00 0.00 C ATOM 150 O SER A 14 1.195 -23.313 -4.069 1.00 0.00 O ATOM 151 CB SER A 14 2.460 -23.446 -0.938 1.00 0.00 C ATOM 152 OG SER A 14 2.287 -23.652 0.453 1.00 0.00 O ATOM 0 H SER A 14 1.025 -25.253 -2.874 1.00 0.00 H new ATOM 0 HA SER A 14 0.344 -23.101 -1.054 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.149 -24.191 -1.336 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.912 -22.469 -1.110 1.00 0.00 H new ATOM 0 HG SER A 14 1.443 -24.124 0.611 1.00 0.00 H new ATOM 158 N GLU A 15 1.268 -21.418 -2.859 1.00 0.00 N ATOM 159 CA GLU A 15 1.344 -20.548 -4.025 1.00 0.00 C ATOM 160 C GLU A 15 1.961 -19.201 -3.662 1.00 0.00 C ATOM 161 O GLU A 15 1.290 -18.325 -3.116 1.00 0.00 O ATOM 162 CB GLU A 15 -0.050 -20.340 -4.623 1.00 0.00 C ATOM 163 CG GLU A 15 -0.385 -21.320 -5.735 1.00 0.00 C ATOM 164 CD GLU A 15 -1.741 -21.972 -5.550 1.00 0.00 C ATOM 165 OE1 GLU A 15 -2.656 -21.302 -5.024 1.00 0.00 O ATOM 166 OE2 GLU A 15 -1.890 -23.153 -5.930 1.00 0.00 O ATOM 0 H GLU A 15 1.272 -20.927 -1.965 1.00 0.00 H new ATOM 0 HA GLU A 15 1.982 -21.030 -4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.794 -20.433 -3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.122 -19.324 -5.011 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.364 -20.799 -6.692 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.383 -22.093 -5.777 1.00 0.00 H new ATOM 173 N GLU A 16 3.246 -19.042 -3.969 1.00 0.00 N ATOM 174 CA GLU A 16 3.954 -17.802 -3.675 1.00 0.00 C ATOM 175 C GLU A 16 4.265 -17.036 -4.957 1.00 0.00 C ATOM 176 O GLU A 16 5.099 -17.460 -5.758 1.00 0.00 O ATOM 177 CB GLU A 16 5.250 -18.096 -2.917 1.00 0.00 C ATOM 178 CG GLU A 16 6.055 -19.240 -3.510 1.00 0.00 C ATOM 179 CD GLU A 16 7.456 -19.327 -2.937 1.00 0.00 C ATOM 180 OE1 GLU A 16 7.976 -18.286 -2.480 1.00 0.00 O ATOM 181 OE2 GLU A 16 8.035 -20.434 -2.945 1.00 0.00 O ATOM 0 H GLU A 16 3.817 -19.757 -4.421 1.00 0.00 H new ATOM 0 HA GLU A 16 3.308 -17.185 -3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.866 -17.197 -2.905 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.009 -18.331 -1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.533 -20.179 -3.327 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.116 -19.114 -4.591 1.00 0.00 H new ATOM 188 N ALA A 17 3.591 -15.907 -5.143 1.00 0.00 N ATOM 189 CA ALA A 17 3.795 -15.080 -6.326 1.00 0.00 C ATOM 190 C ALA A 17 3.550 -13.609 -6.012 1.00 0.00 C ATOM 191 O ALA A 17 3.097 -12.847 -6.866 1.00 0.00 O ATOM 192 CB ALA A 17 2.884 -15.540 -7.454 1.00 0.00 C ATOM 0 H ALA A 17 2.898 -15.543 -4.489 1.00 0.00 H new ATOM 0 HA ALA A 17 4.832 -15.190 -6.644 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.047 -14.914 -8.331 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.108 -16.578 -7.702 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.844 -15.459 -7.138 1.00 0.00 H new ATOM 198 N ASP A 18 3.851 -13.218 -4.778 1.00 0.00 N ATOM 199 CA ASP A 18 3.665 -11.838 -4.346 1.00 0.00 C ATOM 200 C ASP A 18 4.665 -11.470 -3.254 1.00 0.00 C ATOM 201 O ASP A 18 4.419 -11.699 -2.070 1.00 0.00 O ATOM 202 CB ASP A 18 2.235 -11.631 -3.839 1.00 0.00 C ATOM 203 CG ASP A 18 1.575 -10.414 -4.454 1.00 0.00 C ATOM 204 OD1 ASP A 18 1.346 -10.418 -5.682 1.00 0.00 O ATOM 205 OD2 ASP A 18 1.285 -9.455 -3.707 1.00 0.00 O ATOM 0 H ASP A 18 4.225 -13.838 -4.059 1.00 0.00 H new ATOM 0 HA ASP A 18 3.837 -11.187 -5.203 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.641 -12.516 -4.065 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.249 -11.524 -2.754 1.00 0.00 H new ATOM 210 N GLU A 19 5.795 -10.898 -3.660 1.00 0.00 N ATOM 211 CA GLU A 19 6.833 -10.499 -2.717 1.00 0.00 C ATOM 212 C GLU A 19 6.329 -9.402 -1.784 1.00 0.00 C ATOM 213 O GLU A 19 5.773 -8.400 -2.233 1.00 0.00 O ATOM 214 CB GLU A 19 8.076 -10.017 -3.467 1.00 0.00 C ATOM 215 CG GLU A 19 9.339 -10.028 -2.620 1.00 0.00 C ATOM 216 CD GLU A 19 9.906 -8.639 -2.397 1.00 0.00 C ATOM 217 OE1 GLU A 19 9.383 -7.919 -1.520 1.00 0.00 O ATOM 218 OE2 GLU A 19 10.872 -8.272 -3.097 1.00 0.00 O ATOM 0 H GLU A 19 6.014 -10.701 -4.636 1.00 0.00 H new ATOM 0 HA GLU A 19 7.096 -11.369 -2.116 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.230 -10.648 -4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.901 -9.005 -3.831 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.121 -10.486 -1.655 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.092 -10.650 -3.105 1.00 0.00 H new ATOM 225 N VAL A 20 6.529 -9.597 -0.486 1.00 0.00 N ATOM 226 CA VAL A 20 6.097 -8.625 0.510 1.00 0.00 C ATOM 227 C VAL A 20 7.245 -8.251 1.448 1.00 0.00 C ATOM 228 O VAL A 20 7.674 -9.066 2.265 1.00 0.00 O ATOM 229 CB VAL A 20 4.920 -9.163 1.348 1.00 0.00 C ATOM 230 CG1 VAL A 20 4.378 -8.081 2.267 1.00 0.00 C ATOM 231 CG2 VAL A 20 3.822 -9.704 0.443 1.00 0.00 C ATOM 0 H VAL A 20 6.988 -10.421 -0.098 1.00 0.00 H new ATOM 0 HA VAL A 20 5.771 -7.739 -0.034 1.00 0.00 H new ATOM 0 HB VAL A 20 5.285 -9.982 1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.548 -8.481 2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.167 -7.747 2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.030 -7.238 1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.000 -10.079 1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.459 -8.906 -0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.220 -10.514 -0.168 1.00 0.00 H new ATOM 241 N PRO A 21 7.760 -7.012 1.347 1.00 0.00 N ATOM 242 CA PRO A 21 8.862 -6.548 2.196 1.00 0.00 C ATOM 243 C PRO A 21 8.451 -6.421 3.659 1.00 0.00 C ATOM 244 O PRO A 21 7.281 -6.593 4.002 1.00 0.00 O ATOM 245 CB PRO A 21 9.209 -5.172 1.618 1.00 0.00 C ATOM 246 CG PRO A 21 7.968 -4.723 0.930 1.00 0.00 C ATOM 247 CD PRO A 21 7.314 -5.969 0.403 1.00 0.00 C ATOM 0 HA PRO A 21 9.698 -7.248 2.193 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.500 -4.475 2.404 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.046 -5.235 0.922 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.308 -4.197 1.620 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.199 -4.031 0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.228 -5.878 0.388 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.629 -6.188 -0.617 1.00 0.00 H new ATOM 255 N GLU A 22 9.421 -6.122 4.518 1.00 0.00 N ATOM 256 CA GLU A 22 9.160 -5.976 5.945 1.00 0.00 C ATOM 257 C GLU A 22 8.726 -4.551 6.277 1.00 0.00 C ATOM 258 O GLU A 22 7.839 -4.340 7.104 1.00 0.00 O ATOM 259 CB GLU A 22 10.407 -6.340 6.752 1.00 0.00 C ATOM 260 CG GLU A 22 10.600 -7.838 6.930 1.00 0.00 C ATOM 261 CD GLU A 22 11.443 -8.177 8.144 1.00 0.00 C ATOM 262 OE1 GLU A 22 12.508 -7.549 8.321 1.00 0.00 O ATOM 263 OE2 GLU A 22 11.037 -9.069 8.918 1.00 0.00 O ATOM 0 H GLU A 22 10.394 -5.976 4.250 1.00 0.00 H new ATOM 0 HA GLU A 22 8.350 -6.655 6.211 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.285 -5.925 6.256 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.344 -5.871 7.734 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.626 -8.318 7.023 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.073 -8.248 6.038 1.00 0.00 H new ATOM 270 N TRP A 23 9.357 -3.579 5.627 1.00 0.00 N ATOM 271 CA TRP A 23 9.036 -2.174 5.855 1.00 0.00 C ATOM 272 C TRP A 23 7.571 -1.891 5.538 1.00 0.00 C ATOM 273 O TRP A 23 6.897 -1.170 6.273 1.00 0.00 O ATOM 274 CB TRP A 23 9.936 -1.280 5.002 1.00 0.00 C ATOM 275 CG TRP A 23 9.901 -1.619 3.543 1.00 0.00 C ATOM 276 CD1 TRP A 23 10.784 -2.406 2.862 1.00 0.00 C ATOM 277 CD2 TRP A 23 8.932 -1.180 2.583 1.00 0.00 C ATOM 278 NE1 TRP A 23 10.425 -2.483 1.538 1.00 0.00 N ATOM 279 CE2 TRP A 23 9.290 -1.740 1.342 1.00 0.00 C ATOM 280 CE3 TRP A 23 7.795 -0.369 2.652 1.00 0.00 C ATOM 281 CZ2 TRP A 23 8.554 -1.514 0.182 1.00 0.00 C ATOM 282 CZ3 TRP A 23 7.065 -0.147 1.500 1.00 0.00 C ATOM 283 CH2 TRP A 23 7.446 -0.717 0.280 1.00 0.00 C ATOM 0 H TRP A 23 10.093 -3.738 4.939 1.00 0.00 H new ATOM 0 HA TRP A 23 9.209 -1.954 6.908 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.633 -0.241 5.133 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.962 -1.361 5.362 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.640 -2.897 3.300 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.922 -3.008 0.818 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.493 0.076 3.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 8.847 -1.952 -0.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 6.185 0.477 1.542 1.00 0.00 H new ATOM 0 HH2 TRP A 23 6.854 -0.524 -0.602 1.00 0.00 H new ATOM 294 N LEU A 24 7.086 -2.462 4.442 1.00 0.00 N ATOM 295 CA LEU A 24 5.701 -2.270 4.029 1.00 0.00 C ATOM 296 C LEU A 24 4.738 -2.761 5.105 1.00 0.00 C ATOM 297 O LEU A 24 4.572 -3.965 5.301 1.00 0.00 O ATOM 298 CB LEU A 24 5.432 -3.004 2.713 1.00 0.00 C ATOM 299 CG LEU A 24 4.004 -2.875 2.181 1.00 0.00 C ATOM 300 CD1 LEU A 24 3.655 -1.415 1.939 1.00 0.00 C ATOM 301 CD2 LEU A 24 3.838 -3.684 0.903 1.00 0.00 C ATOM 0 H LEU A 24 7.631 -3.062 3.823 1.00 0.00 H new ATOM 0 HA LEU A 24 5.538 -1.202 3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.121 -2.627 1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.658 -4.061 2.851 1.00 0.00 H new ATOM 0 HG LEU A 24 3.319 -3.271 2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.635 -1.343 1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.735 -0.862 2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.344 -0.993 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.816 -3.581 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.532 -3.317 0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.046 -4.734 1.107 1.00 0.00 H new ATOM 313 N ARG A 25 4.107 -1.821 5.799 1.00 0.00 N ATOM 314 CA ARG A 25 3.160 -2.159 6.854 1.00 0.00 C ATOM 315 C ARG A 25 2.344 -0.937 7.266 1.00 0.00 C ATOM 316 O ARG A 25 2.546 0.161 6.747 1.00 0.00 O ATOM 317 CB ARG A 25 3.897 -2.730 8.068 1.00 0.00 C ATOM 318 CG ARG A 25 4.869 -1.752 8.708 1.00 0.00 C ATOM 319 CD ARG A 25 4.935 -1.942 10.216 1.00 0.00 C ATOM 320 NE ARG A 25 6.293 -1.785 10.731 1.00 0.00 N ATOM 321 CZ ARG A 25 6.802 -0.630 11.155 1.00 0.00 C ATOM 322 NH1 ARG A 25 6.076 0.482 11.115 1.00 0.00 N ATOM 323 NH2 ARG A 25 8.044 -0.585 11.617 1.00 0.00 N ATOM 0 H ARG A 25 4.234 -0.820 5.650 1.00 0.00 H new ATOM 0 HA ARG A 25 2.477 -2.914 6.466 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.165 -3.041 8.813 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.442 -3.624 7.764 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.861 -1.889 8.279 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.562 -0.731 8.481 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.278 -1.220 10.701 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.563 -2.934 10.473 1.00 0.00 H new ATOM 0 HE ARG A 25 6.889 -2.612 10.768 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.121 0.455 10.758 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.474 1.363 11.442 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.608 -1.434 11.647 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.435 0.299 11.942 1.00 0.00 H new ATOM 337 N GLU A 26 1.419 -1.138 8.199 1.00 0.00 N ATOM 338 CA GLU A 26 0.568 -0.054 8.681 1.00 0.00 C ATOM 339 C GLU A 26 1.405 1.099 9.224 1.00 0.00 C ATOM 340 O GLU A 26 2.514 0.896 9.717 1.00 0.00 O ATOM 341 CB GLU A 26 -0.379 -0.567 9.767 1.00 0.00 C ATOM 342 CG GLU A 26 -1.257 -1.721 9.314 1.00 0.00 C ATOM 343 CD GLU A 26 -1.852 -2.492 10.475 1.00 0.00 C ATOM 344 OE1 GLU A 26 -1.140 -2.691 11.482 1.00 0.00 O ATOM 345 OE2 GLU A 26 -3.029 -2.898 10.379 1.00 0.00 O ATOM 0 H GLU A 26 1.239 -2.041 8.637 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.018 0.314 7.839 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.208 -0.885 10.629 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.015 0.253 10.100 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.062 -1.336 8.688 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.669 -2.399 8.696 1.00 0.00 H new ATOM 352 N GLY A 27 0.867 2.311 9.128 1.00 0.00 N ATOM 353 CA GLY A 27 1.577 3.479 9.613 1.00 0.00 C ATOM 354 C GLY A 27 2.910 3.678 8.918 1.00 0.00 C ATOM 355 O GLY A 27 3.838 4.246 9.493 1.00 0.00 O ATOM 0 H GLY A 27 -0.049 2.504 8.723 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.958 4.364 9.465 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.741 3.381 10.686 1.00 0.00 H new ATOM 359 N GLU A 28 3.004 3.209 7.678 1.00 0.00 N ATOM 360 CA GLU A 28 4.233 3.337 6.903 1.00 0.00 C ATOM 361 C GLU A 28 3.979 4.077 5.594 1.00 0.00 C ATOM 362 O GLU A 28 3.216 3.615 4.746 1.00 0.00 O ATOM 363 CB GLU A 28 4.822 1.956 6.614 1.00 0.00 C ATOM 364 CG GLU A 28 6.342 1.925 6.639 1.00 0.00 C ATOM 365 CD GLU A 28 6.900 1.892 8.048 1.00 0.00 C ATOM 366 OE1 GLU A 28 6.246 2.444 8.959 1.00 0.00 O ATOM 367 OE2 GLU A 28 7.992 1.318 8.242 1.00 0.00 O ATOM 0 H GLU A 28 2.244 2.737 7.188 1.00 0.00 H new ATOM 0 HA GLU A 28 4.945 3.914 7.492 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.440 1.247 7.348 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.476 1.620 5.636 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.693 1.050 6.092 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.728 2.802 6.119 1.00 0.00 H new ATOM 374 N PHE A 29 4.623 5.229 5.437 1.00 0.00 N ATOM 375 CA PHE A 29 4.468 6.034 4.230 1.00 0.00 C ATOM 376 C PHE A 29 4.952 5.267 3.003 1.00 0.00 C ATOM 377 O PHE A 29 5.946 4.544 3.061 1.00 0.00 O ATOM 378 CB PHE A 29 5.242 7.347 4.365 1.00 0.00 C ATOM 379 CG PHE A 29 4.372 8.522 4.716 1.00 0.00 C ATOM 380 CD1 PHE A 29 3.792 8.620 5.971 1.00 0.00 C ATOM 381 CD2 PHE A 29 4.137 9.526 3.791 1.00 0.00 C ATOM 382 CE1 PHE A 29 2.993 9.700 6.297 1.00 0.00 C ATOM 383 CE2 PHE A 29 3.339 10.609 4.112 1.00 0.00 C ATOM 384 CZ PHE A 29 2.767 10.695 5.365 1.00 0.00 C ATOM 0 H PHE A 29 5.257 5.626 6.130 1.00 0.00 H new ATOM 0 HA PHE A 29 3.409 6.258 4.103 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.009 7.231 5.131 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.758 7.554 3.427 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.966 7.844 6.702 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.582 9.462 2.809 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.546 9.766 7.278 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.164 11.386 3.383 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.143 11.540 5.617 1.00 0.00 H new ATOM 394 N VAL A 30 4.241 5.431 1.891 1.00 0.00 N ATOM 395 CA VAL A 30 4.599 4.754 0.650 1.00 0.00 C ATOM 396 C VAL A 30 4.094 5.528 -0.563 1.00 0.00 C ATOM 397 O VAL A 30 3.439 6.561 -0.425 1.00 0.00 O ATOM 398 CB VAL A 30 4.030 3.324 0.605 1.00 0.00 C ATOM 399 CG1 VAL A 30 4.666 2.461 1.682 1.00 0.00 C ATOM 400 CG2 VAL A 30 2.516 3.346 0.754 1.00 0.00 C ATOM 0 H VAL A 30 3.415 6.026 1.825 1.00 0.00 H new ATOM 0 HA VAL A 30 5.687 4.704 0.620 1.00 0.00 H new ATOM 0 HB VAL A 30 4.270 2.889 -0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.251 1.454 1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.744 2.417 1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.460 2.892 2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.132 2.326 0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.251 3.802 1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.079 3.926 -0.059 1.00 0.00 H new ATOM 410 N THR A 31 4.402 5.020 -1.752 1.00 0.00 N ATOM 411 CA THR A 31 3.979 5.663 -2.992 1.00 0.00 C ATOM 412 C THR A 31 3.429 4.636 -3.976 1.00 0.00 C ATOM 413 O THR A 31 3.487 3.432 -3.731 1.00 0.00 O ATOM 414 CB THR A 31 5.150 6.418 -3.624 1.00 0.00 C ATOM 415 OG1 THR A 31 4.736 7.094 -4.797 1.00 0.00 O ATOM 416 CG2 THR A 31 6.310 5.521 -3.996 1.00 0.00 C ATOM 0 H THR A 31 4.943 4.165 -1.884 1.00 0.00 H new ATOM 0 HA THR A 31 3.186 6.372 -2.754 1.00 0.00 H new ATOM 0 HB THR A 31 5.486 7.120 -2.861 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.498 7.572 -5.185 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.106 6.120 -4.439 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.686 5.022 -3.102 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.976 4.773 -4.715 1.00 0.00 H new ATOM 424 N VAL A 32 2.894 5.121 -5.093 1.00 0.00 N ATOM 425 CA VAL A 32 2.333 4.246 -6.116 1.00 0.00 C ATOM 426 C VAL A 32 2.926 4.556 -7.487 1.00 0.00 C ATOM 427 O VAL A 32 3.349 3.654 -8.209 1.00 0.00 O ATOM 428 CB VAL A 32 0.800 4.378 -6.190 1.00 0.00 C ATOM 429 CG1 VAL A 32 0.218 3.349 -7.147 1.00 0.00 C ATOM 430 CG2 VAL A 32 0.182 4.238 -4.807 1.00 0.00 C ATOM 0 H VAL A 32 2.837 6.116 -5.312 1.00 0.00 H new ATOM 0 HA VAL A 32 2.588 3.224 -5.834 1.00 0.00 H new ATOM 0 HB VAL A 32 0.560 5.371 -6.571 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.866 3.459 -7.185 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.633 3.503 -8.143 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.469 2.347 -6.800 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.901 4.334 -4.881 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.432 3.261 -4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.572 5.019 -4.154 1.00 0.00 H new ATOM 440 N GLY A 33 2.951 5.837 -7.838 1.00 0.00 N ATOM 441 CA GLY A 33 3.492 6.244 -9.121 1.00 0.00 C ATOM 442 C GLY A 33 2.415 6.437 -10.170 1.00 0.00 C ATOM 443 O GLY A 33 2.391 7.454 -10.865 1.00 0.00 O ATOM 0 H GLY A 33 2.606 6.601 -7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.047 7.174 -8.999 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.202 5.493 -9.467 1.00 0.00 H new ATOM 447 N ALA A 34 1.522 5.461 -10.285 1.00 0.00 N ATOM 448 CA ALA A 34 0.437 5.528 -11.257 1.00 0.00 C ATOM 449 C ALA A 34 -0.866 5.963 -10.597 1.00 0.00 C ATOM 450 O ALA A 34 -1.952 5.574 -11.026 1.00 0.00 O ATOM 451 CB ALA A 34 0.259 4.181 -11.942 1.00 0.00 C ATOM 0 H ALA A 34 1.528 4.614 -9.717 1.00 0.00 H new ATOM 0 HA ALA A 34 0.700 6.274 -12.007 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.554 4.245 -12.665 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.181 3.910 -12.456 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.022 3.422 -11.196 1.00 0.00 H new ATOM 457 N HIS A 35 -0.751 6.773 -9.549 1.00 0.00 N ATOM 458 CA HIS A 35 -1.920 7.263 -8.829 1.00 0.00 C ATOM 459 C HIS A 35 -1.537 8.391 -7.876 1.00 0.00 C ATOM 460 O HIS A 35 -1.789 9.564 -8.154 1.00 0.00 O ATOM 461 CB HIS A 35 -2.579 6.120 -8.051 1.00 0.00 C ATOM 462 CG HIS A 35 -3.819 5.590 -8.704 1.00 0.00 C ATOM 463 ND1 HIS A 35 -3.987 4.518 -9.519 1.00 0.00 N flip ATOM 464 CD2 HIS A 35 -5.065 6.157 -8.559 1.00 0.00 C flip ATOM 465 CE1 HIS A 35 -5.329 4.422 -9.877 1.00 0.00 C flip ATOM 466 NE2 HIS A 35 -5.933 5.428 -9.275 1.00 0.00 N flip ATOM 0 H HIS A 35 0.141 7.104 -9.180 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.630 7.654 -9.557 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.862 5.307 -7.938 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.826 6.469 -7.048 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.301 7.033 -7.973 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.782 3.678 -10.515 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.931 5.626 -9.345 1.00 0.00 H new ATOM 474 N LYS A 36 -0.928 8.028 -6.752 1.00 0.00 N ATOM 475 CA LYS A 36 -0.510 9.008 -5.757 1.00 0.00 C ATOM 476 C LYS A 36 0.227 8.332 -4.605 1.00 0.00 C ATOM 477 O LYS A 36 0.579 7.154 -4.687 1.00 0.00 O ATOM 478 CB LYS A 36 -1.723 9.776 -5.226 1.00 0.00 C ATOM 479 CG LYS A 36 -1.520 11.282 -5.186 1.00 0.00 C ATOM 480 CD LYS A 36 -2.597 12.014 -5.969 1.00 0.00 C ATOM 481 CE LYS A 36 -2.047 13.262 -6.642 1.00 0.00 C ATOM 482 NZ LYS A 36 -3.124 14.237 -6.970 1.00 0.00 N ATOM 0 H LYS A 36 -0.713 7.061 -6.508 1.00 0.00 H new ATOM 0 HA LYS A 36 0.172 9.710 -6.237 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.587 9.551 -5.851 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.955 9.422 -4.221 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.527 11.623 -4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.541 11.528 -5.596 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.016 11.348 -6.723 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.411 12.290 -5.299 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.316 13.736 -5.987 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.522 12.981 -7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.708 15.073 -7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.808 13.794 -7.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.609 14.526 -6.096 1.00 0.00 H new ATOM 496 N THR A 37 0.456 9.082 -3.533 1.00 0.00 N ATOM 497 CA THR A 37 1.150 8.553 -2.364 1.00 0.00 C ATOM 498 C THR A 37 0.283 8.678 -1.116 1.00 0.00 C ATOM 499 O THR A 37 -0.238 9.752 -0.815 1.00 0.00 O ATOM 500 CB THR A 37 2.475 9.289 -2.155 1.00 0.00 C ATOM 501 OG1 THR A 37 2.247 10.636 -1.783 1.00 0.00 O ATOM 502 CG2 THR A 37 3.355 9.296 -3.386 1.00 0.00 C ATOM 0 H THR A 37 0.171 10.058 -3.449 1.00 0.00 H new ATOM 0 HA THR A 37 1.354 7.497 -2.539 1.00 0.00 H new ATOM 0 HB THR A 37 2.988 8.742 -1.364 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.346 10.724 -1.407 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.278 9.834 -3.170 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.590 8.271 -3.671 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.831 9.789 -4.205 1.00 0.00 H new ATOM 510 N GLY A 38 0.132 7.573 -0.393 1.00 0.00 N ATOM 511 CA GLY A 38 -0.675 7.581 0.813 1.00 0.00 C ATOM 512 C GLY A 38 -0.084 6.721 1.913 1.00 0.00 C ATOM 513 O GLY A 38 0.872 5.980 1.685 1.00 0.00 O ATOM 0 H GLY A 38 0.554 6.673 -0.621 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.776 8.605 1.172 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.678 7.225 0.577 1.00 0.00 H new ATOM 517 N VAL A 39 -0.654 6.820 3.110 1.00 0.00 N ATOM 518 CA VAL A 39 -0.180 6.046 4.250 1.00 0.00 C ATOM 519 C VAL A 39 -0.898 4.705 4.340 1.00 0.00 C ATOM 520 O VAL A 39 -2.110 4.623 4.139 1.00 0.00 O ATOM 521 CB VAL A 39 -0.380 6.813 5.572 1.00 0.00 C ATOM 522 CG1 VAL A 39 0.298 6.084 6.721 1.00 0.00 C ATOM 523 CG2 VAL A 39 0.145 8.235 5.449 1.00 0.00 C ATOM 0 H VAL A 39 -1.446 7.430 3.315 1.00 0.00 H new ATOM 0 HA VAL A 39 0.885 5.875 4.095 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.448 6.862 5.784 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.146 6.641 7.646 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.131 5.087 6.823 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.366 6.001 6.519 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.005 8.761 6.392 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.209 8.211 5.212 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.392 8.754 4.655 1.00 0.00 H new ATOM 533 N VAL A 40 -0.143 3.654 4.644 1.00 0.00 N ATOM 534 CA VAL A 40 -0.707 2.316 4.762 1.00 0.00 C ATOM 535 C VAL A 40 -1.562 2.190 6.019 1.00 0.00 C ATOM 536 O VAL A 40 -1.095 2.448 7.128 1.00 0.00 O ATOM 537 CB VAL A 40 0.396 1.240 4.796 1.00 0.00 C ATOM 538 CG1 VAL A 40 -0.214 -0.154 4.755 1.00 0.00 C ATOM 539 CG2 VAL A 40 1.370 1.435 3.644 1.00 0.00 C ATOM 0 H VAL A 40 0.862 3.704 4.813 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.331 2.158 3.882 1.00 0.00 H new ATOM 0 HB VAL A 40 0.948 1.344 5.730 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.581 -0.900 4.780 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.867 -0.291 5.617 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.793 -0.271 3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.141 0.666 3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.834 1.361 2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.834 2.418 3.722 1.00 0.00 H new ATOM 549 N ARG A 41 -2.818 1.794 5.836 1.00 0.00 N ATOM 550 CA ARG A 41 -3.740 1.635 6.954 1.00 0.00 C ATOM 551 C ARG A 41 -4.123 0.170 7.140 1.00 0.00 C ATOM 552 O ARG A 41 -4.278 -0.304 8.266 1.00 0.00 O ATOM 553 CB ARG A 41 -4.997 2.477 6.730 1.00 0.00 C ATOM 554 CG ARG A 41 -4.709 3.957 6.538 1.00 0.00 C ATOM 555 CD ARG A 41 -4.184 4.593 7.814 1.00 0.00 C ATOM 556 NE ARG A 41 -3.515 5.866 7.557 1.00 0.00 N ATOM 557 CZ ARG A 41 -2.701 6.464 8.423 1.00 0.00 C ATOM 558 NH1 ARG A 41 -2.452 5.908 9.603 1.00 0.00 N ATOM 559 NH2 ARG A 41 -2.135 7.621 8.110 1.00 0.00 N ATOM 0 H ARG A 41 -3.220 1.578 4.924 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.237 1.978 7.858 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.525 2.101 5.854 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.665 2.352 7.582 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.979 4.086 5.739 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.619 4.468 6.223 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.011 4.751 8.507 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.488 3.909 8.300 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.682 6.323 6.661 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.886 5.018 9.849 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.827 6.371 10.263 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.324 8.053 7.205 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.511 8.080 8.774 1.00 0.00 H new ATOM 573 N TYR A 42 -4.273 -0.542 6.028 1.00 0.00 N ATOM 574 CA TYR A 42 -4.639 -1.954 6.067 1.00 0.00 C ATOM 575 C TYR A 42 -3.590 -2.807 5.360 1.00 0.00 C ATOM 576 O TYR A 42 -3.132 -2.467 4.269 1.00 0.00 O ATOM 577 CB TYR A 42 -6.008 -2.166 5.419 1.00 0.00 C ATOM 578 CG TYR A 42 -6.657 -3.480 5.790 1.00 0.00 C ATOM 579 CD1 TYR A 42 -7.154 -3.694 7.070 1.00 0.00 C ATOM 580 CD2 TYR A 42 -6.774 -4.507 4.861 1.00 0.00 C ATOM 581 CE1 TYR A 42 -7.747 -4.893 7.414 1.00 0.00 C ATOM 582 CE2 TYR A 42 -7.368 -5.709 5.198 1.00 0.00 C ATOM 583 CZ TYR A 42 -7.853 -5.897 6.475 1.00 0.00 C ATOM 584 OH TYR A 42 -8.444 -7.092 6.814 1.00 0.00 O ATOM 0 H TYR A 42 -4.147 -0.165 5.089 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.688 -2.263 7.111 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.669 -1.349 5.710 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.899 -2.117 4.336 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.075 -2.910 7.808 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -6.395 -4.364 3.860 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -8.126 -5.043 8.414 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -7.452 -6.497 4.464 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.440 -7.691 6.038 1.00 0.00 H new ATOM 594 N VAL A 43 -3.215 -3.916 5.989 1.00 0.00 N ATOM 595 CA VAL A 43 -2.220 -4.818 5.419 1.00 0.00 C ATOM 596 C VAL A 43 -2.641 -6.274 5.585 1.00 0.00 C ATOM 597 O VAL A 43 -2.478 -6.860 6.656 1.00 0.00 O ATOM 598 CB VAL A 43 -0.840 -4.617 6.073 1.00 0.00 C ATOM 599 CG1 VAL A 43 0.222 -5.419 5.337 1.00 0.00 C ATOM 600 CG2 VAL A 43 -0.475 -3.140 6.107 1.00 0.00 C ATOM 0 H VAL A 43 -3.584 -4.212 6.893 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.149 -4.581 4.357 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.889 -4.979 7.100 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.190 -5.264 5.813 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.034 -6.478 5.370 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.272 -5.090 4.299 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.503 -3.018 6.572 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.444 -2.749 5.090 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.222 -2.594 6.683 1.00 0.00 H new ATOM 610 N GLY A 44 -3.183 -6.853 4.518 1.00 0.00 N ATOM 611 CA GLY A 44 -3.618 -8.237 4.567 1.00 0.00 C ATOM 612 C GLY A 44 -4.346 -8.661 3.304 1.00 0.00 C ATOM 613 O GLY A 44 -4.721 -7.818 2.490 1.00 0.00 O ATOM 0 H GLY A 44 -3.329 -6.389 3.621 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.752 -8.882 4.718 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.274 -8.378 5.426 1.00 0.00 H new ATOM 617 N PRO A 45 -4.560 -9.974 3.112 1.00 0.00 N ATOM 618 CA PRO A 45 -5.253 -10.497 1.929 1.00 0.00 C ATOM 619 C PRO A 45 -6.622 -9.855 1.729 1.00 0.00 C ATOM 620 O PRO A 45 -6.967 -8.882 2.402 1.00 0.00 O ATOM 621 CB PRO A 45 -5.401 -11.991 2.230 1.00 0.00 C ATOM 622 CG PRO A 45 -4.317 -12.293 3.205 1.00 0.00 C ATOM 623 CD PRO A 45 -4.146 -11.050 4.030 1.00 0.00 C ATOM 0 HA PRO A 45 -4.703 -10.288 1.011 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.382 -12.215 2.648 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.296 -12.589 1.325 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.582 -13.144 3.832 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.391 -12.551 2.692 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.765 -11.074 4.927 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.114 -10.924 4.358 1.00 0.00 H new ATOM 631 N ALA A 46 -7.399 -10.404 0.803 1.00 0.00 N ATOM 632 CA ALA A 46 -8.731 -9.886 0.515 1.00 0.00 C ATOM 633 C ALA A 46 -9.721 -11.021 0.274 1.00 0.00 C ATOM 634 O ALA A 46 -9.328 -12.171 0.083 1.00 0.00 O ATOM 635 CB ALA A 46 -8.686 -8.956 -0.687 1.00 0.00 C ATOM 0 H ALA A 46 -7.129 -11.209 0.238 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.071 -9.322 1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.687 -8.576 -0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.017 -8.121 -0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.321 -9.503 -1.557 1.00 0.00 H new ATOM 641 N ASP A 47 -11.008 -10.689 0.285 1.00 0.00 N ATOM 642 CA ASP A 47 -12.055 -11.680 0.067 1.00 0.00 C ATOM 643 C ASP A 47 -12.383 -11.808 -1.418 1.00 0.00 C ATOM 644 O ASP A 47 -12.575 -12.911 -1.929 1.00 0.00 O ATOM 645 CB ASP A 47 -13.314 -11.304 0.852 1.00 0.00 C ATOM 646 CG ASP A 47 -13.445 -12.087 2.143 1.00 0.00 C ATOM 647 OD1 ASP A 47 -12.491 -12.070 2.948 1.00 0.00 O ATOM 648 OD2 ASP A 47 -14.503 -12.717 2.350 1.00 0.00 O ATOM 0 H ASP A 47 -11.351 -9.741 0.443 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.689 -12.643 0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.293 -10.238 1.077 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.192 -11.482 0.232 1.00 0.00 H new ATOM 653 N PHE A 48 -12.447 -10.672 -2.105 1.00 0.00 N ATOM 654 CA PHE A 48 -12.754 -10.658 -3.531 1.00 0.00 C ATOM 655 C PHE A 48 -11.606 -11.257 -4.339 1.00 0.00 C ATOM 656 O PHE A 48 -11.828 -11.916 -5.355 1.00 0.00 O ATOM 657 CB PHE A 48 -13.035 -9.230 -4.002 1.00 0.00 C ATOM 658 CG PHE A 48 -11.919 -8.268 -3.703 1.00 0.00 C ATOM 659 CD1 PHE A 48 -10.812 -8.192 -4.533 1.00 0.00 C ATOM 660 CD2 PHE A 48 -11.979 -7.440 -2.595 1.00 0.00 C ATOM 661 CE1 PHE A 48 -9.785 -7.308 -4.263 1.00 0.00 C ATOM 662 CE2 PHE A 48 -10.956 -6.553 -2.319 1.00 0.00 C ATOM 663 CZ PHE A 48 -9.858 -6.487 -3.154 1.00 0.00 C ATOM 0 H PHE A 48 -12.291 -9.750 -1.698 1.00 0.00 H new ATOM 0 HA PHE A 48 -13.645 -11.266 -3.691 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -13.217 -9.240 -5.077 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -13.949 -8.873 -3.527 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.751 -8.831 -5.401 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -12.835 -7.488 -1.939 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.927 -7.259 -4.917 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -11.015 -5.912 -1.452 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.057 -5.794 -2.940 1.00 0.00 H new ATOM 673 N GLN A 49 -10.382 -11.021 -3.881 1.00 0.00 N ATOM 674 CA GLN A 49 -9.199 -11.537 -4.561 1.00 0.00 C ATOM 675 C GLN A 49 -8.361 -12.396 -3.619 1.00 0.00 C ATOM 676 O GLN A 49 -8.726 -12.602 -2.461 1.00 0.00 O ATOM 677 CB GLN A 49 -8.356 -10.384 -5.108 1.00 0.00 C ATOM 678 CG GLN A 49 -8.769 -9.935 -6.499 1.00 0.00 C ATOM 679 CD GLN A 49 -7.788 -10.372 -7.569 1.00 0.00 C ATOM 680 OE1 GLN A 49 -7.309 -9.558 -8.357 1.00 0.00 O ATOM 681 NE2 GLN A 49 -7.486 -11.665 -7.601 1.00 0.00 N ATOM 0 H GLN A 49 -10.182 -10.476 -3.042 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.530 -12.160 -5.392 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.428 -9.537 -4.426 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.310 -10.688 -5.129 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -9.755 -10.339 -6.729 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.858 -8.849 -6.515 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.908 -12.304 -6.927 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.832 -12.019 -8.299 1.00 0.00 H new ATOM 690 N GLU A 50 -7.236 -12.892 -4.123 1.00 0.00 N ATOM 691 CA GLU A 50 -6.344 -13.728 -3.327 1.00 0.00 C ATOM 692 C GLU A 50 -4.955 -13.107 -3.233 1.00 0.00 C ATOM 693 O GLU A 50 -4.605 -12.226 -4.017 1.00 0.00 O ATOM 694 CB GLU A 50 -6.250 -15.130 -3.932 1.00 0.00 C ATOM 695 CG GLU A 50 -7.331 -16.078 -3.443 1.00 0.00 C ATOM 696 CD GLU A 50 -7.331 -17.398 -4.190 1.00 0.00 C ATOM 697 OE1 GLU A 50 -7.498 -17.378 -5.427 1.00 0.00 O ATOM 698 OE2 GLU A 50 -7.165 -18.450 -3.537 1.00 0.00 O ATOM 0 H GLU A 50 -6.920 -12.730 -5.079 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.757 -13.801 -2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.310 -15.053 -5.018 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.274 -15.553 -3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.189 -16.267 -2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.305 -15.601 -3.555 1.00 0.00 H new ATOM 705 N GLY A 51 -4.167 -13.573 -2.268 1.00 0.00 N ATOM 706 CA GLY A 51 -2.826 -13.051 -2.090 1.00 0.00 C ATOM 707 C GLY A 51 -2.722 -12.105 -0.911 1.00 0.00 C ATOM 708 O GLY A 51 -3.192 -12.415 0.185 1.00 0.00 O ATOM 0 H GLY A 51 -4.434 -14.302 -1.607 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.133 -13.880 -1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.519 -12.531 -2.997 1.00 0.00 H new ATOM 712 N THR A 52 -2.105 -10.949 -1.132 1.00 0.00 N ATOM 713 CA THR A 52 -1.942 -9.955 -0.078 1.00 0.00 C ATOM 714 C THR A 52 -2.113 -8.543 -0.628 1.00 0.00 C ATOM 715 O THR A 52 -1.384 -8.125 -1.528 1.00 0.00 O ATOM 716 CB THR A 52 -0.568 -10.097 0.578 1.00 0.00 C ATOM 717 OG1 THR A 52 -0.175 -11.458 0.628 1.00 0.00 O ATOM 718 CG2 THR A 52 -0.518 -9.552 1.988 1.00 0.00 C ATOM 0 H THR A 52 -1.709 -10.678 -2.032 1.00 0.00 H new ATOM 0 HA THR A 52 -2.714 -10.128 0.671 1.00 0.00 H new ATOM 0 HB THR A 52 0.110 -9.512 -0.043 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.707 -11.529 1.049 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.485 -9.685 2.394 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.768 -8.491 1.977 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.235 -10.087 2.611 1.00 0.00 H new ATOM 726 N TRP A 53 -3.079 -7.814 -0.080 1.00 0.00 N ATOM 727 CA TRP A 53 -3.345 -6.446 -0.514 1.00 0.00 C ATOM 728 C TRP A 53 -3.022 -5.452 0.596 1.00 0.00 C ATOM 729 O TRP A 53 -3.131 -5.772 1.780 1.00 0.00 O ATOM 730 CB TRP A 53 -4.808 -6.299 -0.937 1.00 0.00 C ATOM 731 CG TRP A 53 -5.214 -7.252 -2.018 1.00 0.00 C ATOM 732 CD1 TRP A 53 -5.455 -8.589 -1.886 1.00 0.00 C ATOM 733 CD2 TRP A 53 -5.427 -6.940 -3.401 1.00 0.00 C ATOM 734 NE1 TRP A 53 -5.804 -9.128 -3.101 1.00 0.00 N ATOM 735 CE2 TRP A 53 -5.794 -8.136 -4.046 1.00 0.00 C ATOM 736 CE3 TRP A 53 -5.344 -5.766 -4.155 1.00 0.00 C ATOM 737 CZ2 TRP A 53 -6.077 -8.190 -5.408 1.00 0.00 C ATOM 738 CZ3 TRP A 53 -5.624 -5.822 -5.506 1.00 0.00 C ATOM 739 CH2 TRP A 53 -5.988 -7.026 -6.122 1.00 0.00 C ATOM 0 H TRP A 53 -3.691 -8.147 0.665 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.704 -6.230 -1.368 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.447 -6.454 -0.068 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.978 -5.278 -1.280 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.382 -9.143 -0.962 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.033 -10.107 -3.272 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.066 -4.832 -3.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -6.357 -9.118 -5.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.561 -4.921 -6.098 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -6.202 -7.036 -7.180 1.00 0.00 H new ATOM 750 N VAL A 54 -2.622 -4.246 0.207 1.00 0.00 N ATOM 751 CA VAL A 54 -2.282 -3.205 1.170 1.00 0.00 C ATOM 752 C VAL A 54 -3.088 -1.937 0.916 1.00 0.00 C ATOM 753 O VAL A 54 -3.061 -1.382 -0.183 1.00 0.00 O ATOM 754 CB VAL A 54 -0.781 -2.865 1.121 1.00 0.00 C ATOM 755 CG1 VAL A 54 -0.408 -1.927 2.258 1.00 0.00 C ATOM 756 CG2 VAL A 54 0.056 -4.134 1.171 1.00 0.00 C ATOM 0 H VAL A 54 -2.525 -3.965 -0.769 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.527 -3.595 2.158 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.573 -2.357 0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.656 -1.698 2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.982 -1.004 2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.631 -2.405 3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.114 -3.874 1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.154 -4.672 2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.191 -4.767 0.318 1.00 0.00 H new ATOM 766 N GLY A 55 -3.806 -1.483 1.939 1.00 0.00 N ATOM 767 CA GLY A 55 -4.610 -0.283 1.806 1.00 0.00 C ATOM 768 C GLY A 55 -3.797 0.984 1.993 1.00 0.00 C ATOM 769 O GLY A 55 -3.158 1.171 3.029 1.00 0.00 O ATOM 0 H GLY A 55 -3.845 -1.925 2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.077 -0.269 0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.415 -0.306 2.540 1.00 0.00 H new ATOM 773 N VAL A 56 -3.823 1.854 0.990 1.00 0.00 N ATOM 774 CA VAL A 56 -3.083 3.109 1.047 1.00 0.00 C ATOM 775 C VAL A 56 -4.027 4.299 1.172 1.00 0.00 C ATOM 776 O VAL A 56 -4.957 4.452 0.379 1.00 0.00 O ATOM 777 CB VAL A 56 -2.201 3.298 -0.201 1.00 0.00 C ATOM 778 CG1 VAL A 56 -1.291 4.506 -0.034 1.00 0.00 C ATOM 779 CG2 VAL A 56 -1.388 2.041 -0.476 1.00 0.00 C ATOM 0 H VAL A 56 -4.349 1.713 0.127 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.446 3.060 1.930 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.850 3.477 -1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.675 4.624 -0.926 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.897 5.401 0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.648 4.360 0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.771 2.193 -1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.748 1.827 0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.062 1.201 -0.644 1.00 0.00 H new ATOM 789 N GLU A 57 -3.783 5.140 2.172 1.00 0.00 N ATOM 790 CA GLU A 57 -4.612 6.318 2.400 1.00 0.00 C ATOM 791 C GLU A 57 -3.979 7.557 1.775 1.00 0.00 C ATOM 792 O GLU A 57 -2.995 8.090 2.288 1.00 0.00 O ATOM 793 CB GLU A 57 -4.817 6.539 3.900 1.00 0.00 C ATOM 794 CG GLU A 57 -5.838 7.618 4.220 1.00 0.00 C ATOM 795 CD GLU A 57 -5.889 7.953 5.697 1.00 0.00 C ATOM 796 OE1 GLU A 57 -5.573 7.066 6.518 1.00 0.00 O ATOM 797 OE2 GLU A 57 -6.243 9.103 6.034 1.00 0.00 O ATOM 0 H GLU A 57 -3.018 5.028 2.837 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.580 6.148 1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.135 5.602 4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.863 6.807 4.353 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.598 8.519 3.655 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.824 7.289 3.892 1.00 0.00 H new ATOM 804 N LEU A 58 -4.550 8.010 0.663 1.00 0.00 N ATOM 805 CA LEU A 58 -4.041 9.188 -0.031 1.00 0.00 C ATOM 806 C LEU A 58 -4.560 10.468 0.616 1.00 0.00 C ATOM 807 O LEU A 58 -5.744 10.579 0.934 1.00 0.00 O ATOM 808 CB LEU A 58 -4.442 9.150 -1.506 1.00 0.00 C ATOM 809 CG LEU A 58 -4.318 7.782 -2.178 1.00 0.00 C ATOM 810 CD1 LEU A 58 -5.277 7.677 -3.353 1.00 0.00 C ATOM 811 CD2 LEU A 58 -2.886 7.540 -2.633 1.00 0.00 C ATOM 0 H LEU A 58 -5.364 7.580 0.224 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.954 9.180 0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.474 9.488 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.825 9.863 -2.053 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.582 7.015 -1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.175 6.697 -3.819 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.300 7.806 -3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.044 8.452 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.816 6.562 -3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.595 8.312 -3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.220 7.572 -1.771 1.00 0.00 H new ATOM 823 N ASP A 59 -3.667 11.433 0.808 1.00 0.00 N ATOM 824 CA ASP A 59 -4.035 12.706 1.416 1.00 0.00 C ATOM 825 C ASP A 59 -4.873 13.543 0.456 1.00 0.00 C ATOM 826 O ASP A 59 -5.757 14.289 0.877 1.00 0.00 O ATOM 827 CB ASP A 59 -2.781 13.478 1.832 1.00 0.00 C ATOM 828 CG ASP A 59 -2.815 13.895 3.289 1.00 0.00 C ATOM 829 OD1 ASP A 59 -2.527 13.043 4.157 1.00 0.00 O ATOM 830 OD2 ASP A 59 -3.129 15.072 3.563 1.00 0.00 O ATOM 0 H ASP A 59 -2.683 11.358 0.551 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.633 12.499 2.303 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.901 12.859 1.655 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.679 14.364 1.206 1.00 0.00 H new ATOM 835 N LEU A 60 -4.589 13.414 -0.836 1.00 0.00 N ATOM 836 CA LEU A 60 -5.317 14.159 -1.858 1.00 0.00 C ATOM 837 C LEU A 60 -6.466 13.327 -2.422 1.00 0.00 C ATOM 838 O LEU A 60 -6.386 12.100 -2.477 1.00 0.00 O ATOM 839 CB LEU A 60 -4.373 14.577 -2.985 1.00 0.00 C ATOM 840 CG LEU A 60 -3.147 15.377 -2.541 1.00 0.00 C ATOM 841 CD1 LEU A 60 -1.957 15.072 -3.436 1.00 0.00 C ATOM 842 CD2 LEU A 60 -3.454 16.867 -2.547 1.00 0.00 C ATOM 0 H LEU A 60 -3.860 12.801 -1.200 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.733 15.053 -1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.034 13.681 -3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.934 15.171 -3.706 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.893 15.082 -1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.095 15.650 -3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.724 14.009 -3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.198 15.338 -4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.571 17.422 -2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.734 17.177 -3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.277 17.072 -1.863 1.00 0.00 H new ATOM 854 N PRO A 61 -7.555 13.987 -2.853 1.00 0.00 N ATOM 855 CA PRO A 61 -8.722 13.301 -3.416 1.00 0.00 C ATOM 856 C PRO A 61 -8.426 12.677 -4.777 1.00 0.00 C ATOM 857 O PRO A 61 -8.555 13.331 -5.811 1.00 0.00 O ATOM 858 CB PRO A 61 -9.760 14.417 -3.554 1.00 0.00 C ATOM 859 CG PRO A 61 -8.958 15.667 -3.669 1.00 0.00 C ATOM 860 CD PRO A 61 -7.733 15.451 -2.826 1.00 0.00 C ATOM 0 HA PRO A 61 -9.049 12.473 -2.788 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.388 14.267 -4.432 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.423 14.450 -2.690 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.688 15.864 -4.707 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.526 16.529 -3.319 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.866 15.969 -3.236 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.874 15.820 -1.810 1.00 0.00 H new ATOM 868 N SER A 62 -8.029 11.409 -4.767 1.00 0.00 N ATOM 869 CA SER A 62 -7.716 10.696 -6.000 1.00 0.00 C ATOM 870 C SER A 62 -7.593 9.196 -5.744 1.00 0.00 C ATOM 871 O SER A 62 -6.494 8.640 -5.763 1.00 0.00 O ATOM 872 CB SER A 62 -6.418 11.231 -6.608 1.00 0.00 C ATOM 873 OG SER A 62 -6.680 12.260 -7.548 1.00 0.00 O ATOM 0 H SER A 62 -7.916 10.854 -3.919 1.00 0.00 H new ATOM 0 HA SER A 62 -8.532 10.860 -6.704 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.773 11.613 -5.817 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.879 10.418 -7.095 1.00 0.00 H new ATOM 0 HG SER A 62 -7.368 12.860 -7.193 1.00 0.00 H new ATOM 879 N GLY A 63 -8.727 8.549 -5.505 1.00 0.00 N ATOM 880 CA GLY A 63 -8.727 7.121 -5.247 1.00 0.00 C ATOM 881 C GLY A 63 -9.853 6.403 -5.967 1.00 0.00 C ATOM 882 O GLY A 63 -10.183 6.739 -7.105 1.00 0.00 O ATOM 0 H GLY A 63 -9.648 8.988 -5.485 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.772 6.698 -5.559 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.817 6.948 -4.175 1.00 0.00 H new ATOM 886 N LYS A 64 -10.442 5.414 -5.305 1.00 0.00 N ATOM 887 CA LYS A 64 -11.536 4.648 -5.889 1.00 0.00 C ATOM 888 C LYS A 64 -12.482 4.137 -4.806 1.00 0.00 C ATOM 889 O LYS A 64 -13.641 4.545 -4.737 1.00 0.00 O ATOM 890 CB LYS A 64 -10.989 3.472 -6.702 1.00 0.00 C ATOM 891 CG LYS A 64 -11.748 3.222 -7.995 1.00 0.00 C ATOM 892 CD LYS A 64 -11.010 3.794 -9.194 1.00 0.00 C ATOM 893 CE LYS A 64 -11.974 4.217 -10.292 1.00 0.00 C ATOM 894 NZ LYS A 64 -12.805 5.383 -9.881 1.00 0.00 N ATOM 0 H LYS A 64 -10.180 5.124 -4.363 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.094 5.309 -6.552 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.941 3.659 -6.936 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.023 2.571 -6.090 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.892 2.150 -8.132 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.739 3.671 -7.929 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.415 4.652 -8.881 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.316 3.050 -9.584 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.412 4.470 -11.191 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.624 3.380 -10.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.162 5.870 -10.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.607 5.053 -9.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.227 6.041 -9.321 1.00 0.00 H new ATOM 908 N ASN A 65 -11.977 3.240 -3.964 1.00 0.00 N ATOM 909 CA ASN A 65 -12.776 2.672 -2.885 1.00 0.00 C ATOM 910 C ASN A 65 -12.740 3.568 -1.650 1.00 0.00 C ATOM 911 O ASN A 65 -11.674 3.836 -1.097 1.00 0.00 O ATOM 912 CB ASN A 65 -12.269 1.274 -2.530 1.00 0.00 C ATOM 913 CG ASN A 65 -12.139 0.380 -3.747 1.00 0.00 C ATOM 914 OD1 ASN A 65 -13.116 0.119 -4.448 1.00 0.00 O ATOM 915 ND2 ASN A 65 -10.926 -0.097 -4.004 1.00 0.00 N ATOM 0 H ASN A 65 -11.019 2.892 -4.009 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.808 2.601 -3.229 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.300 1.356 -2.038 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.951 0.814 -1.816 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.777 -0.705 -4.809 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.143 0.145 -3.396 1.00 0.00 H new ATOM 922 N ASP A 66 -13.913 4.027 -1.223 1.00 0.00 N ATOM 923 CA ASP A 66 -14.015 4.891 -0.054 1.00 0.00 C ATOM 924 C ASP A 66 -13.871 4.083 1.232 1.00 0.00 C ATOM 925 O ASP A 66 -14.806 3.986 2.026 1.00 0.00 O ATOM 926 CB ASP A 66 -15.351 5.636 -0.058 1.00 0.00 C ATOM 927 CG ASP A 66 -16.536 4.699 -0.208 1.00 0.00 C ATOM 928 OD1 ASP A 66 -16.323 3.468 -0.222 1.00 0.00 O ATOM 929 OD2 ASP A 66 -17.676 5.198 -0.312 1.00 0.00 O ATOM 0 H ASP A 66 -14.805 3.814 -1.670 1.00 0.00 H new ATOM 0 HA ASP A 66 -13.204 5.618 -0.098 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.452 6.200 0.869 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.358 6.360 -0.873 1.00 0.00 H new ATOM 934 N GLY A 67 -12.691 3.501 1.430 1.00 0.00 N ATOM 935 CA GLY A 67 -12.446 2.706 2.618 1.00 0.00 C ATOM 936 C GLY A 67 -13.419 1.550 2.757 1.00 0.00 C ATOM 937 O GLY A 67 -13.623 1.031 3.855 1.00 0.00 O ATOM 0 H GLY A 67 -11.901 3.567 0.788 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -11.428 2.318 2.587 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.517 3.344 3.499 1.00 0.00 H new ATOM 941 N SER A 68 -14.021 1.145 1.643 1.00 0.00 N ATOM 942 CA SER A 68 -14.977 0.044 1.648 1.00 0.00 C ATOM 943 C SER A 68 -15.145 -0.536 0.247 1.00 0.00 C ATOM 944 O SER A 68 -14.982 0.167 -0.751 1.00 0.00 O ATOM 945 CB SER A 68 -16.329 0.518 2.184 1.00 0.00 C ATOM 946 OG SER A 68 -17.043 1.244 1.199 1.00 0.00 O ATOM 0 H SER A 68 -13.864 1.563 0.726 1.00 0.00 H new ATOM 0 HA SER A 68 -14.590 -0.739 2.301 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.918 -0.341 2.505 1.00 0.00 H new ATOM 0 HB3 SER A 68 -16.176 1.145 3.062 1.00 0.00 H new ATOM 0 HG SER A 68 -16.497 1.996 0.887 1.00 0.00 H new ATOM 952 N ILE A 69 -15.472 -1.823 0.180 1.00 0.00 N ATOM 953 CA ILE A 69 -15.662 -2.497 -1.098 1.00 0.00 C ATOM 954 C ILE A 69 -16.769 -3.542 -1.008 1.00 0.00 C ATOM 955 O ILE A 69 -16.630 -4.550 -0.316 1.00 0.00 O ATOM 956 CB ILE A 69 -14.366 -3.179 -1.574 1.00 0.00 C ATOM 957 CG1 ILE A 69 -13.188 -2.208 -1.482 1.00 0.00 C ATOM 958 CG2 ILE A 69 -14.529 -3.689 -2.998 1.00 0.00 C ATOM 959 CD1 ILE A 69 -11.855 -2.841 -1.817 1.00 0.00 C ATOM 0 H ILE A 69 -15.611 -2.419 0.996 1.00 0.00 H new ATOM 0 HA ILE A 69 -15.945 -1.731 -1.820 1.00 0.00 H new ATOM 0 HB ILE A 69 -14.161 -4.030 -0.924 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -13.364 -1.371 -2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -13.143 -1.798 -0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.605 -4.169 -3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -15.345 -4.411 -3.035 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -14.754 -2.853 -3.660 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -11.066 -2.094 -1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -11.657 -3.660 -1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -11.881 -3.226 -2.837 1.00 0.00 H new ATOM 971 N GLY A 70 -17.868 -3.295 -1.713 1.00 0.00 N ATOM 972 CA GLY A 70 -18.982 -4.224 -1.700 1.00 0.00 C ATOM 973 C GLY A 70 -19.547 -4.432 -0.309 1.00 0.00 C ATOM 974 O GLY A 70 -20.330 -3.617 0.180 1.00 0.00 O ATOM 0 H GLY A 70 -18.007 -2.468 -2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -19.769 -3.852 -2.357 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.656 -5.183 -2.104 1.00 0.00 H new ATOM 978 N GLY A 71 -19.148 -5.527 0.332 1.00 0.00 N ATOM 979 CA GLY A 71 -19.630 -5.820 1.670 1.00 0.00 C ATOM 980 C GLY A 71 -18.501 -6.090 2.645 1.00 0.00 C ATOM 981 O GLY A 71 -18.623 -6.939 3.528 1.00 0.00 O ATOM 0 H GLY A 71 -18.500 -6.216 -0.051 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -20.225 -4.981 2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -20.290 -6.687 1.634 1.00 0.00 H new ATOM 985 N LYS A 72 -17.397 -5.365 2.485 1.00 0.00 N ATOM 986 CA LYS A 72 -16.240 -5.531 3.358 1.00 0.00 C ATOM 987 C LYS A 72 -15.542 -4.196 3.593 1.00 0.00 C ATOM 988 O LYS A 72 -15.296 -3.438 2.654 1.00 0.00 O ATOM 989 CB LYS A 72 -15.258 -6.534 2.753 1.00 0.00 C ATOM 990 CG LYS A 72 -14.234 -7.058 3.746 1.00 0.00 C ATOM 991 CD LYS A 72 -14.631 -8.420 4.291 1.00 0.00 C ATOM 992 CE LYS A 72 -13.940 -8.715 5.611 1.00 0.00 C ATOM 993 NZ LYS A 72 -14.734 -9.648 6.458 1.00 0.00 N ATOM 0 H LYS A 72 -17.280 -4.658 1.759 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.591 -5.911 4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.817 -7.375 2.343 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.736 -6.062 1.921 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.260 -7.129 3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.130 -6.352 4.570 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.712 -8.457 4.429 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.376 -9.192 3.565 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.958 -9.147 5.418 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.778 -7.783 6.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.228 -9.824 7.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.662 -9.226 6.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.867 -10.547 5.953 1.00 0.00 H new ATOM 1007 N GLN A 73 -15.224 -3.912 4.852 1.00 0.00 N ATOM 1008 CA GLN A 73 -14.555 -2.667 5.211 1.00 0.00 C ATOM 1009 C GLN A 73 -13.059 -2.891 5.411 1.00 0.00 C ATOM 1010 O GLN A 73 -12.568 -4.014 5.296 1.00 0.00 O ATOM 1011 CB GLN A 73 -15.170 -2.083 6.486 1.00 0.00 C ATOM 1012 CG GLN A 73 -16.156 -0.956 6.223 1.00 0.00 C ATOM 1013 CD GLN A 73 -15.741 0.348 6.875 1.00 0.00 C ATOM 1014 OE1 GLN A 73 -16.386 0.822 7.810 1.00 0.00 O ATOM 1015 NE2 GLN A 73 -14.658 0.938 6.380 1.00 0.00 N ATOM 0 H GLN A 73 -15.419 -4.528 5.641 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.692 -1.961 4.392 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -15.677 -2.878 7.033 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -14.371 -1.713 7.129 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -16.251 -0.806 5.148 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -17.140 -1.246 6.593 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -14.153 0.510 5.604 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.331 1.819 6.776 1.00 0.00 H new ATOM 1024 N TYR A 74 -12.339 -1.814 5.711 1.00 0.00 N ATOM 1025 CA TYR A 74 -10.900 -1.892 5.927 1.00 0.00 C ATOM 1026 C TYR A 74 -10.417 -0.736 6.797 1.00 0.00 C ATOM 1027 O TYR A 74 -9.652 -0.935 7.742 1.00 0.00 O ATOM 1028 CB TYR A 74 -10.161 -1.881 4.588 1.00 0.00 C ATOM 1029 CG TYR A 74 -10.662 -2.923 3.612 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -11.690 -2.632 2.724 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -10.106 -4.196 3.579 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -12.150 -3.581 1.831 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -10.561 -5.150 2.689 1.00 0.00 C ATOM 1034 CZ TYR A 74 -11.582 -4.837 1.817 1.00 0.00 C ATOM 1035 OH TYR A 74 -12.038 -5.784 0.928 1.00 0.00 O ATOM 0 H TYR A 74 -12.730 -0.877 5.810 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.686 -2.827 6.445 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.260 -0.894 4.136 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.098 -2.044 4.767 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -12.137 -1.649 2.732 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -9.305 -4.444 4.260 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -12.951 -3.340 1.147 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -10.119 -6.135 2.677 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.532 -6.615 1.047 1.00 0.00 H new ATOM 1045 N PHE A 75 -10.868 0.471 6.475 1.00 0.00 N ATOM 1046 CA PHE A 75 -10.482 1.657 7.229 1.00 0.00 C ATOM 1047 C PHE A 75 -11.390 2.836 6.893 1.00 0.00 C ATOM 1048 O PHE A 75 -12.029 2.860 5.841 1.00 0.00 O ATOM 1049 CB PHE A 75 -9.024 2.022 6.941 1.00 0.00 C ATOM 1050 CG PHE A 75 -8.694 2.069 5.476 1.00 0.00 C ATOM 1051 CD1 PHE A 75 -8.422 0.905 4.776 1.00 0.00 C ATOM 1052 CD2 PHE A 75 -8.653 3.278 4.800 1.00 0.00 C ATOM 1053 CE1 PHE A 75 -8.116 0.945 3.429 1.00 0.00 C ATOM 1054 CE2 PHE A 75 -8.348 3.324 3.454 1.00 0.00 C ATOM 1055 CZ PHE A 75 -8.079 2.156 2.767 1.00 0.00 C ATOM 0 H PHE A 75 -11.501 0.654 5.697 1.00 0.00 H new ATOM 0 HA PHE A 75 -10.588 1.431 8.290 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.807 2.993 7.385 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.373 1.296 7.428 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.449 -0.045 5.289 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.862 4.194 5.332 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.906 0.030 2.895 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.320 4.273 2.939 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.840 2.190 1.714 1.00 0.00 H new ATOM 1065 N ARG A 76 -11.443 3.811 7.795 1.00 0.00 N ATOM 1066 CA ARG A 76 -12.273 4.992 7.594 1.00 0.00 C ATOM 1067 C ARG A 76 -11.472 6.116 6.945 1.00 0.00 C ATOM 1068 O ARG A 76 -10.375 6.449 7.393 1.00 0.00 O ATOM 1069 CB ARG A 76 -12.852 5.465 8.928 1.00 0.00 C ATOM 1070 CG ARG A 76 -13.943 4.557 9.474 1.00 0.00 C ATOM 1071 CD ARG A 76 -14.287 4.897 10.916 1.00 0.00 C ATOM 1072 NE ARG A 76 -14.292 3.713 11.771 1.00 0.00 N ATOM 1073 CZ ARG A 76 -13.191 3.140 12.251 1.00 0.00 C ATOM 1074 NH1 ARG A 76 -11.994 3.634 11.958 1.00 0.00 N ATOM 1075 NH2 ARG A 76 -13.286 2.068 13.027 1.00 0.00 N ATOM 0 H ARG A 76 -10.921 3.806 8.671 1.00 0.00 H new ATOM 0 HA ARG A 76 -13.091 4.722 6.926 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.047 5.533 9.660 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -13.256 6.470 8.804 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.836 4.648 8.855 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -13.617 3.519 9.412 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -13.566 5.619 11.300 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -15.266 5.375 10.952 1.00 0.00 H new ATOM 0 HE ARG A 76 -15.193 3.301 12.015 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.914 4.458 11.362 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.154 3.190 12.329 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -14.203 1.683 13.255 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -12.442 1.628 13.395 1.00 0.00 H new ATOM 1089 N CYS A 77 -12.028 6.697 5.886 1.00 0.00 N ATOM 1090 CA CYS A 77 -11.364 7.783 5.174 1.00 0.00 C ATOM 1091 C CYS A 77 -12.348 8.531 4.280 1.00 0.00 C ATOM 1092 O CYS A 77 -13.440 8.040 3.994 1.00 0.00 O ATOM 1093 CB CYS A 77 -10.207 7.238 4.334 1.00 0.00 C ATOM 1094 SG CYS A 77 -10.649 5.819 3.302 1.00 0.00 S ATOM 0 H CYS A 77 -12.936 6.434 5.503 1.00 0.00 H new ATOM 0 HA CYS A 77 -10.971 8.481 5.913 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -9.829 8.036 3.694 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -9.393 6.950 4.999 1.00 0.00 H new ATOM 0 HG CYS A 77 -9.922 4.795 3.638 1.00 0.00 H new ATOM 1100 N ASN A 78 -11.955 9.724 3.844 1.00 0.00 N ATOM 1101 CA ASN A 78 -12.804 10.542 2.984 1.00 0.00 C ATOM 1102 C ASN A 78 -13.086 9.832 1.660 1.00 0.00 C ATOM 1103 O ASN A 78 -12.207 9.178 1.101 1.00 0.00 O ATOM 1104 CB ASN A 78 -12.140 11.895 2.718 1.00 0.00 C ATOM 1105 CG ASN A 78 -12.529 12.942 3.742 1.00 0.00 C ATOM 1106 OD1 ASN A 78 -13.503 12.777 4.477 1.00 0.00 O ATOM 1107 ND2 ASN A 78 -11.769 14.030 3.794 1.00 0.00 N ATOM 0 H ASN A 78 -11.055 10.146 4.072 1.00 0.00 H new ATOM 0 HA ASN A 78 -13.752 10.703 3.498 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.057 11.772 2.722 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.418 12.243 1.723 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.983 14.770 4.462 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -10.971 14.125 3.166 1.00 0.00 H new ATOM 1114 N PRO A 79 -14.320 9.955 1.138 1.00 0.00 N ATOM 1115 CA PRO A 79 -14.704 9.321 -0.128 1.00 0.00 C ATOM 1116 C PRO A 79 -13.752 9.680 -1.264 1.00 0.00 C ATOM 1117 O PRO A 79 -13.541 10.856 -1.562 1.00 0.00 O ATOM 1118 CB PRO A 79 -16.100 9.886 -0.403 1.00 0.00 C ATOM 1119 CG PRO A 79 -16.625 10.276 0.935 1.00 0.00 C ATOM 1120 CD PRO A 79 -15.432 10.719 1.733 1.00 0.00 C ATOM 0 HA PRO A 79 -14.677 8.233 -0.063 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -16.054 10.743 -1.075 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.741 9.143 -0.878 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -17.357 11.079 0.848 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -17.128 9.437 1.417 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.270 11.794 1.651 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.552 10.495 2.793 1.00 0.00 H new ATOM 1128 N GLY A 80 -13.181 8.661 -1.894 1.00 0.00 N ATOM 1129 CA GLY A 80 -12.257 8.892 -2.990 1.00 0.00 C ATOM 1130 C GLY A 80 -10.861 9.233 -2.509 1.00 0.00 C ATOM 1131 O GLY A 80 -10.183 10.076 -3.097 1.00 0.00 O ATOM 0 H GLY A 80 -13.340 7.680 -1.667 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.214 8.003 -3.619 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.632 9.704 -3.612 1.00 0.00 H new ATOM 1135 N TYR A 81 -10.430 8.577 -1.436 1.00 0.00 N ATOM 1136 CA TYR A 81 -9.105 8.813 -0.876 1.00 0.00 C ATOM 1137 C TYR A 81 -8.362 7.498 -0.665 1.00 0.00 C ATOM 1138 O TYR A 81 -7.188 7.373 -1.016 1.00 0.00 O ATOM 1139 CB TYR A 81 -9.216 9.569 0.449 1.00 0.00 C ATOM 1140 CG TYR A 81 -9.571 11.029 0.285 1.00 0.00 C ATOM 1141 CD1 TYR A 81 -10.818 11.411 -0.197 1.00 0.00 C ATOM 1142 CD2 TYR A 81 -8.661 12.027 0.611 1.00 0.00 C ATOM 1143 CE1 TYR A 81 -11.146 12.745 -0.349 1.00 0.00 C ATOM 1144 CE2 TYR A 81 -8.983 13.363 0.463 1.00 0.00 C ATOM 1145 CZ TYR A 81 -10.226 13.716 -0.018 1.00 0.00 C ATOM 1146 OH TYR A 81 -10.551 15.045 -0.167 1.00 0.00 O ATOM 0 H TYR A 81 -10.980 7.878 -0.937 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.540 9.418 -1.585 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.971 9.088 1.070 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.268 9.492 0.982 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.542 10.653 -0.457 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -7.686 11.754 0.986 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.119 13.025 -0.725 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -8.265 14.126 0.723 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.793 15.600 0.112 1.00 0.00 H new ATOM 1156 N GLY A 82 -9.055 6.518 -0.094 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.445 5.224 0.150 1.00 0.00 C ATOM 1158 C GLY A 82 -8.299 4.409 -1.121 1.00 0.00 C ATOM 1159 O GLY A 82 -9.160 4.457 -1.998 1.00 0.00 O ATOM 0 H GLY A 82 -10.027 6.597 0.204 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.464 5.367 0.603 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.049 4.669 0.868 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.206 3.661 -1.220 1.00 0.00 N ATOM 1164 CA LEU A 83 -6.951 2.836 -2.394 1.00 0.00 C ATOM 1165 C LEU A 83 -6.141 1.597 -2.025 1.00 0.00 C ATOM 1166 O LEU A 83 -5.065 1.699 -1.435 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.208 3.646 -3.459 1.00 0.00 C ATOM 1168 CG LEU A 83 -6.157 3.003 -4.846 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.540 2.977 -5.474 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -5.176 3.748 -5.739 1.00 0.00 C ATOM 0 H LEU A 83 -6.483 3.609 -0.502 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.911 2.513 -2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.682 4.624 -3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.187 3.816 -3.117 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.813 1.974 -4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.483 2.516 -6.460 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.216 2.400 -4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.915 3.996 -5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.151 3.279 -6.723 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.492 4.786 -5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.181 3.714 -5.295 1.00 0.00 H new ATOM 1182 N LEU A 84 -6.665 0.427 -2.376 1.00 0.00 N ATOM 1183 CA LEU A 84 -5.991 -0.832 -2.080 1.00 0.00 C ATOM 1184 C LEU A 84 -5.177 -1.308 -3.280 1.00 0.00 C ATOM 1185 O LEU A 84 -5.691 -1.400 -4.395 1.00 0.00 O ATOM 1186 CB LEU A 84 -7.012 -1.901 -1.686 1.00 0.00 C ATOM 1187 CG LEU A 84 -7.323 -1.978 -0.190 1.00 0.00 C ATOM 1188 CD1 LEU A 84 -8.800 -2.269 0.035 1.00 0.00 C ATOM 1189 CD2 LEU A 84 -6.462 -3.040 0.478 1.00 0.00 C ATOM 0 H LEU A 84 -7.554 0.325 -2.866 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.311 -0.664 -1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.940 -1.712 -2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.644 -2.873 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.091 -1.013 0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.002 -2.320 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.399 -1.475 -0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.058 -3.221 -0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.696 -3.082 1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.663 -4.010 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.409 -2.790 0.347 1.00 0.00 H new ATOM 1201 N VAL A 85 -3.906 -1.611 -3.041 1.00 0.00 N ATOM 1202 CA VAL A 85 -3.020 -2.080 -4.099 1.00 0.00 C ATOM 1203 C VAL A 85 -2.091 -3.176 -3.590 1.00 0.00 C ATOM 1204 O VAL A 85 -1.911 -3.340 -2.384 1.00 0.00 O ATOM 1205 CB VAL A 85 -2.174 -0.931 -4.676 1.00 0.00 C ATOM 1206 CG1 VAL A 85 -3.028 -0.022 -5.547 1.00 0.00 C ATOM 1207 CG2 VAL A 85 -1.511 -0.140 -3.558 1.00 0.00 C ATOM 0 H VAL A 85 -3.466 -1.540 -2.123 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.655 -2.482 -4.888 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.390 -1.361 -5.299 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.412 0.784 -5.946 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.449 -0.598 -6.371 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.836 0.400 -4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.917 0.668 -3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.277 0.279 -2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.863 -0.799 -2.980 1.00 0.00 H new ATOM 1217 N ARG A 86 -1.505 -3.925 -4.517 1.00 0.00 N ATOM 1218 CA ARG A 86 -0.595 -5.008 -4.161 1.00 0.00 C ATOM 1219 C ARG A 86 0.769 -4.460 -3.748 1.00 0.00 C ATOM 1220 O ARG A 86 1.171 -3.382 -4.183 1.00 0.00 O ATOM 1221 CB ARG A 86 -0.434 -5.974 -5.336 1.00 0.00 C ATOM 1222 CG ARG A 86 -1.752 -6.524 -5.855 1.00 0.00 C ATOM 1223 CD ARG A 86 -1.925 -7.992 -5.494 1.00 0.00 C ATOM 1224 NE ARG A 86 -2.876 -8.664 -6.378 1.00 0.00 N ATOM 1225 CZ ARG A 86 -2.975 -9.986 -6.493 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -2.185 -10.782 -5.783 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -3.867 -10.513 -7.319 1.00 0.00 N ATOM 0 H ARG A 86 -1.643 -3.803 -5.520 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.023 -5.544 -3.314 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.082 -5.462 -6.148 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.201 -6.805 -5.028 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.577 -5.946 -5.439 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.795 -6.407 -6.938 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.960 -8.495 -5.550 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.268 -8.074 -4.463 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.500 -8.085 -6.940 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.497 -10.381 -5.145 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.265 -11.795 -5.875 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.477 -9.905 -7.866 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.944 -11.526 -7.408 1.00 0.00 H new ATOM 1241 N PRO A 87 1.501 -5.203 -2.899 1.00 0.00 N ATOM 1242 CA PRO A 87 2.826 -4.786 -2.430 1.00 0.00 C ATOM 1243 C PRO A 87 3.759 -4.427 -3.581 1.00 0.00 C ATOM 1244 O PRO A 87 4.544 -3.483 -3.488 1.00 0.00 O ATOM 1245 CB PRO A 87 3.345 -6.019 -1.687 1.00 0.00 C ATOM 1246 CG PRO A 87 2.119 -6.748 -1.259 1.00 0.00 C ATOM 1247 CD PRO A 87 1.096 -6.503 -2.333 1.00 0.00 C ATOM 0 HA PRO A 87 2.776 -3.890 -1.812 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.968 -6.637 -2.333 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.957 -5.736 -0.830 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.318 -7.814 -1.145 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.766 -6.385 -0.294 1.00 0.00 H new ATOM 0 HD2 PRO A 87 1.108 -7.291 -3.086 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.086 -6.467 -1.925 1.00 0.00 H new ATOM 1255 N SER A 88 3.664 -5.187 -4.664 1.00 0.00 N ATOM 1256 CA SER A 88 4.497 -4.956 -5.839 1.00 0.00 C ATOM 1257 C SER A 88 4.327 -3.531 -6.355 1.00 0.00 C ATOM 1258 O SER A 88 5.284 -2.907 -6.814 1.00 0.00 O ATOM 1259 CB SER A 88 4.145 -5.955 -6.943 1.00 0.00 C ATOM 1260 OG SER A 88 2.746 -6.176 -7.004 1.00 0.00 O ATOM 0 H SER A 88 3.017 -5.971 -4.754 1.00 0.00 H new ATOM 0 HA SER A 88 5.538 -5.096 -5.549 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.499 -5.580 -7.903 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.658 -6.899 -6.760 1.00 0.00 H new ATOM 0 HG SER A 88 2.547 -6.817 -7.718 1.00 0.00 H new ATOM 1266 N ARG A 89 3.102 -3.021 -6.277 1.00 0.00 N ATOM 1267 CA ARG A 89 2.805 -1.669 -6.733 1.00 0.00 C ATOM 1268 C ARG A 89 3.265 -0.633 -5.712 1.00 0.00 C ATOM 1269 O ARG A 89 3.535 0.516 -6.059 1.00 0.00 O ATOM 1270 CB ARG A 89 1.305 -1.515 -6.995 1.00 0.00 C ATOM 1271 CG ARG A 89 0.873 -2.005 -8.366 1.00 0.00 C ATOM 1272 CD ARG A 89 1.078 -0.939 -9.430 1.00 0.00 C ATOM 1273 NE ARG A 89 0.334 -1.234 -10.652 1.00 0.00 N ATOM 1274 CZ ARG A 89 -0.971 -1.009 -10.797 1.00 0.00 C ATOM 1275 NH1 ARG A 89 -1.676 -0.489 -9.801 1.00 0.00 N ATOM 1276 NH2 ARG A 89 -1.570 -1.305 -11.941 1.00 0.00 N ATOM 0 H ARG A 89 2.298 -3.525 -5.902 1.00 0.00 H new ATOM 0 HA ARG A 89 3.349 -1.499 -7.662 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.753 -2.064 -6.232 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.033 -0.465 -6.892 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.441 -2.897 -8.630 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.178 -2.293 -8.336 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.763 0.029 -9.039 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.140 -0.859 -9.663 1.00 0.00 H new ATOM 0 HE ARG A 89 0.843 -1.635 -11.440 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.219 -0.259 -8.918 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.675 -0.319 -9.918 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.032 -1.705 -12.710 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.569 -1.133 -12.053 1.00 0.00 H new ATOM 1290 N VAL A 90 3.350 -1.045 -4.450 1.00 0.00 N ATOM 1291 CA VAL A 90 3.776 -0.149 -3.381 1.00 0.00 C ATOM 1292 C VAL A 90 5.286 0.060 -3.409 1.00 0.00 C ATOM 1293 O VAL A 90 6.036 -0.814 -3.844 1.00 0.00 O ATOM 1294 CB VAL A 90 3.371 -0.691 -1.997 1.00 0.00 C ATOM 1295 CG1 VAL A 90 3.626 0.351 -0.920 1.00 0.00 C ATOM 1296 CG2 VAL A 90 1.912 -1.121 -1.998 1.00 0.00 C ATOM 0 H VAL A 90 3.130 -1.993 -4.144 1.00 0.00 H new ATOM 0 HA VAL A 90 3.275 0.804 -3.550 1.00 0.00 H new ATOM 0 HB VAL A 90 3.983 -1.565 -1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.334 -0.050 0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.686 0.605 -0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.041 1.246 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.644 -1.501 -1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.281 -0.266 -2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.764 -1.904 -2.741 1.00 0.00 H new ATOM 1306 N ARG A 91 5.725 1.224 -2.941 1.00 0.00 N ATOM 1307 CA ARG A 91 7.146 1.550 -2.913 1.00 0.00 C ATOM 1308 C ARG A 91 7.491 2.368 -1.673 1.00 0.00 C ATOM 1309 O ARG A 91 6.610 2.742 -0.899 1.00 0.00 O ATOM 1310 CB ARG A 91 7.539 2.321 -4.173 1.00 0.00 C ATOM 1311 CG ARG A 91 7.999 1.428 -5.314 1.00 0.00 C ATOM 1312 CD ARG A 91 8.950 2.162 -6.245 1.00 0.00 C ATOM 1313 NE ARG A 91 9.793 1.241 -7.004 1.00 0.00 N ATOM 1314 CZ ARG A 91 10.873 0.643 -6.508 1.00 0.00 C ATOM 1315 NH1 ARG A 91 11.247 0.867 -5.253 1.00 0.00 N ATOM 1316 NH2 ARG A 91 11.583 -0.180 -7.267 1.00 0.00 N ATOM 0 H ARG A 91 5.117 1.957 -2.576 1.00 0.00 H new ATOM 0 HA ARG A 91 7.707 0.616 -2.878 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.687 2.913 -4.507 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.337 3.021 -3.926 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.493 0.544 -4.910 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.133 1.080 -5.877 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.376 2.781 -6.935 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.580 2.834 -5.663 1.00 0.00 H new ATOM 0 HE ARG A 91 9.538 1.045 -7.972 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.705 1.500 -4.665 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.076 0.406 -4.878 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.301 -0.355 -8.232 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.411 -0.638 -6.886 1.00 0.00 H new ATOM 1330 N ARG A 92 8.778 2.645 -1.492 1.00 0.00 N ATOM 1331 CA ARG A 92 9.239 3.420 -0.346 1.00 0.00 C ATOM 1332 C ARG A 92 9.226 4.913 -0.659 1.00 0.00 C ATOM 1333 O ARG A 92 10.066 5.408 -1.411 1.00 0.00 O ATOM 1334 CB ARG A 92 10.649 2.979 0.058 1.00 0.00 C ATOM 1335 CG ARG A 92 10.709 2.316 1.425 1.00 0.00 C ATOM 1336 CD ARG A 92 12.099 1.778 1.724 1.00 0.00 C ATOM 1337 NE ARG A 92 12.211 1.277 3.091 1.00 0.00 N ATOM 1338 CZ ARG A 92 13.262 0.600 3.549 1.00 0.00 C ATOM 1339 NH1 ARG A 92 14.293 0.343 2.753 1.00 0.00 N ATOM 1340 NH2 ARG A 92 13.284 0.179 4.806 1.00 0.00 N ATOM 0 H ARG A 92 9.520 2.344 -2.124 1.00 0.00 H new ATOM 0 HA ARG A 92 8.558 3.238 0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 92 11.033 2.286 -0.690 1.00 0.00 H new ATOM 0 HB3 ARG A 92 11.308 3.848 0.055 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.424 3.036 2.192 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.986 1.502 1.467 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.336 0.977 1.024 1.00 0.00 H new ATOM 0 HD3 ARG A 92 12.834 2.567 1.566 1.00 0.00 H new ATOM 0 HE ARG A 92 11.439 1.456 3.733 1.00 0.00 H new ATOM 0 HH11 ARG A 92 14.283 0.665 1.785 1.00 0.00 H new ATOM 0 HH12 ARG A 92 15.095 -0.176 3.109 1.00 0.00 H new ATOM 0 HH21 ARG A 92 12.495 0.374 5.423 1.00 0.00 H new ATOM 0 HH22 ARG A 92 14.090 -0.340 5.156 1.00 0.00 H new ATOM 1354 N ALA A 93 8.267 5.626 -0.076 1.00 0.00 N ATOM 1355 CA ALA A 93 8.142 7.062 -0.292 1.00 0.00 C ATOM 1356 C ALA A 93 9.204 7.829 0.489 1.00 0.00 C ATOM 1357 O ALA A 93 9.097 7.993 1.704 1.00 0.00 O ATOM 1358 CB ALA A 93 6.750 7.535 0.100 1.00 0.00 C ATOM 0 H ALA A 93 7.565 5.232 0.550 1.00 0.00 H new ATOM 0 HA ALA A 93 8.295 7.260 -1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.670 8.609 -0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.006 7.018 -0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.575 7.317 1.154 1.00 0.00 H new ATOM 1364 N THR A 94 10.227 8.298 -0.218 1.00 0.00 N ATOM 1365 CA THR A 94 11.309 9.049 0.408 1.00 0.00 C ATOM 1366 C THR A 94 11.759 10.200 -0.485 1.00 0.00 C ATOM 1367 O THR A 94 11.908 11.333 -0.027 1.00 0.00 O ATOM 1368 CB THR A 94 12.493 8.127 0.705 1.00 0.00 C ATOM 1369 OG1 THR A 94 13.626 8.879 1.102 1.00 0.00 O ATOM 1370 CG2 THR A 94 12.898 7.275 -0.478 1.00 0.00 C ATOM 0 H THR A 94 10.329 8.171 -1.225 1.00 0.00 H new ATOM 0 HA THR A 94 10.936 9.463 1.345 1.00 0.00 H new ATOM 0 HB THR A 94 12.155 7.470 1.506 1.00 0.00 H new ATOM 0 HG1 THR A 94 14.372 8.272 1.289 1.00 0.00 H new ATOM 0 HG21 THR A 94 13.743 6.645 -0.200 1.00 0.00 H new ATOM 0 HG22 THR A 94 12.059 6.646 -0.778 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.184 7.919 -1.309 1.00 0.00 H new ATOM 1378 N SER A 95 11.973 9.901 -1.763 1.00 0.00 N ATOM 1379 CA SER A 95 12.405 10.911 -2.722 1.00 0.00 C ATOM 1380 C SER A 95 11.559 10.853 -3.990 1.00 0.00 C ATOM 1381 O SER A 95 11.048 9.797 -4.359 1.00 0.00 O ATOM 1382 CB SER A 95 13.882 10.713 -3.071 1.00 0.00 C ATOM 1383 OG SER A 95 14.114 9.417 -3.595 1.00 0.00 O ATOM 0 H SER A 95 11.854 8.968 -2.158 1.00 0.00 H new ATOM 0 HA SER A 95 12.275 11.892 -2.264 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.190 11.463 -3.799 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.492 10.863 -2.180 1.00 0.00 H new ATOM 0 HG SER A 95 15.065 9.317 -3.811 1.00 0.00 H new ATOM 1389 N GLY A 96 11.417 11.997 -4.654 1.00 0.00 N ATOM 1390 CA GLY A 96 10.631 12.053 -5.874 1.00 0.00 C ATOM 1391 C GLY A 96 11.382 12.706 -7.020 1.00 0.00 C ATOM 1392 O GLY A 96 12.245 12.078 -7.635 1.00 0.00 O ATOM 0 H GLY A 96 11.831 12.885 -4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.342 11.043 -6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.711 12.606 -5.685 1.00 0.00 H new ATOM 1396 N PRO A 97 11.078 13.979 -7.337 1.00 0.00 N ATOM 1397 CA PRO A 97 11.743 14.700 -8.426 1.00 0.00 C ATOM 1398 C PRO A 97 13.168 15.110 -8.064 1.00 0.00 C ATOM 1399 O PRO A 97 13.444 15.491 -6.927 1.00 0.00 O ATOM 1400 CB PRO A 97 10.864 15.935 -8.617 1.00 0.00 C ATOM 1401 CG PRO A 97 10.252 16.170 -7.279 1.00 0.00 C ATOM 1402 CD PRO A 97 10.062 14.811 -6.663 1.00 0.00 C ATOM 0 HA PRO A 97 11.843 14.087 -9.322 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.452 16.794 -8.941 1.00 0.00 H new ATOM 0 HB3 PRO A 97 10.102 15.766 -9.378 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.897 16.792 -6.659 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.300 16.692 -7.372 1.00 0.00 H new ATOM 0 HD2 PRO A 97 10.215 14.835 -5.584 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.055 14.431 -6.834 1.00 0.00 H new ATOM 1410 N SER A 98 14.068 15.029 -9.039 1.00 0.00 N ATOM 1411 CA SER A 98 15.464 15.392 -8.823 1.00 0.00 C ATOM 1412 C SER A 98 16.086 14.534 -7.726 1.00 0.00 C ATOM 1413 O SER A 98 15.914 14.807 -6.538 1.00 0.00 O ATOM 1414 CB SER A 98 15.577 16.872 -8.455 1.00 0.00 C ATOM 1415 OG SER A 98 16.918 17.320 -8.547 1.00 0.00 O ATOM 0 H SER A 98 13.855 14.715 -9.986 1.00 0.00 H new ATOM 0 HA SER A 98 16.007 15.213 -9.751 1.00 0.00 H new ATOM 0 HB2 SER A 98 14.946 17.464 -9.118 1.00 0.00 H new ATOM 0 HB3 SER A 98 15.207 17.027 -7.441 1.00 0.00 H new ATOM 0 HG SER A 98 16.963 18.269 -8.308 1.00 0.00 H new ATOM 1421 N SER A 99 16.810 13.496 -8.132 1.00 0.00 N ATOM 1422 CA SER A 99 17.458 12.598 -7.183 1.00 0.00 C ATOM 1423 C SER A 99 18.687 11.943 -7.805 1.00 0.00 C ATOM 1424 O SER A 99 19.821 12.273 -7.458 1.00 0.00 O ATOM 1425 CB SER A 99 16.476 11.522 -6.715 1.00 0.00 C ATOM 1426 OG SER A 99 15.613 12.021 -5.707 1.00 0.00 O ATOM 0 H SER A 99 16.963 13.256 -9.112 1.00 0.00 H new ATOM 0 HA SER A 99 17.778 13.188 -6.324 1.00 0.00 H new ATOM 0 HB2 SER A 99 15.886 11.171 -7.562 1.00 0.00 H new ATOM 0 HB3 SER A 99 17.028 10.663 -6.333 1.00 0.00 H new ATOM 0 HG SER A 99 15.637 13.001 -5.711 1.00 0.00 H new ATOM 1432 N GLY A 100 18.454 11.013 -8.725 1.00 0.00 N ATOM 1433 CA GLY A 100 19.552 10.328 -9.380 1.00 0.00 C ATOM 1434 C GLY A 100 19.166 9.784 -10.742 1.00 0.00 C ATOM 1435 O GLY A 100 18.341 8.848 -10.795 1.00 0.00 O ATOM 1436 OXT GLY A 100 19.687 10.297 -11.755 1.00 0.00 O ATOM 0 H GLY A 100 17.525 10.722 -9.028 1.00 0.00 H new ATOM 0 HA2 GLY A 100 20.391 11.015 -9.491 1.00 0.00 H new ATOM 0 HA3 GLY A 100 19.893 9.508 -8.748 1.00 0.00 H new TER 1440 GLY A 100