USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 596 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 ALA N :NH3+ -156:sc= 0.314 (180deg=0.149) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0203 USER MOD Single : A 20 THR OG1 : rot -3:sc= 0.992 USER MOD Single : A 22 HIS : no HD1:sc= -7.33! C(o=-7.3!,f=-17!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -163:sc=-0.00641 (180deg=-0.09) USER MOD Single : A 40 THR OG1 : rot 79:sc= 0.702 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+ -135:sc= 1.24 (180deg=-0.0926) 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 68 SER OG : rot 10:sc= -1.91! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 96:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.108 7.169 2.003 1.00 0.00 N ATOM 2 CA ALA A 1 -10.061 7.858 1.196 1.00 0.00 C ATOM 3 C ALA A 1 -8.682 7.321 1.586 1.00 0.00 C ATOM 4 O ALA A 1 -8.256 7.441 2.717 1.00 0.00 O ATOM 5 CB ALA A 1 -10.117 9.362 1.467 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.016 7.206 1.497 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.835 6.177 2.152 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.205 7.643 2.924 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.237 7.673 0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.352 9.867 0.877 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.099 9.745 1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.940 9.548 2.526 1.00 0.00 H new ATOM 13 N ILE A 2 -7.982 6.728 0.657 1.00 0.00 N ATOM 14 CA ILE A 2 -6.632 6.184 0.975 1.00 0.00 C ATOM 15 C ILE A 2 -5.727 6.312 -0.253 1.00 0.00 C ATOM 16 O ILE A 2 -6.061 5.861 -1.330 1.00 0.00 O ATOM 17 CB ILE A 2 -6.755 4.711 1.366 1.00 0.00 C ATOM 18 CG1 ILE A 2 -7.311 3.916 0.182 1.00 0.00 C ATOM 19 CG2 ILE A 2 -7.703 4.576 2.558 1.00 0.00 C ATOM 20 CD1 ILE A 2 -6.196 3.066 -0.431 1.00 0.00 C ATOM 0 H ILE A 2 -8.287 6.597 -0.308 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.201 6.745 1.804 1.00 0.00 H new ATOM 0 HB ILE A 2 -5.773 4.324 1.638 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.130 3.277 0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.718 4.595 -0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -7.790 3.526 2.836 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -7.310 5.143 3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -8.686 4.962 2.287 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.592 2.500 -1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.391 3.715 -0.776 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -5.810 2.377 0.320 1.00 0.00 H new ATOM 32 N ASP A 3 -4.586 6.924 -0.099 1.00 0.00 N ATOM 33 CA ASP A 3 -3.661 7.079 -1.257 1.00 0.00 C ATOM 34 C ASP A 3 -2.721 5.874 -1.324 1.00 0.00 C ATOM 35 O ASP A 3 -2.099 5.505 -0.347 1.00 0.00 O ATOM 36 CB ASP A 3 -2.839 8.358 -1.086 1.00 0.00 C ATOM 37 CG ASP A 3 -1.945 8.557 -2.311 1.00 0.00 C ATOM 38 OD1 ASP A 3 -1.158 7.670 -2.596 1.00 0.00 O ATOM 39 OD2 ASP A 3 -2.061 9.595 -2.942 1.00 0.00 O ATOM 0 H ASP A 3 -4.254 7.324 0.779 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.240 7.140 -2.178 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.501 9.215 -0.963 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.230 8.294 -0.184 1.00 0.00 H new ATOM 44 N ILE A 4 -2.613 5.256 -2.468 1.00 0.00 N ATOM 45 CA ILE A 4 -1.714 4.075 -2.596 1.00 0.00 C ATOM 46 C ILE A 4 -0.369 4.517 -3.175 1.00 0.00 C ATOM 47 O ILE A 4 -0.079 4.298 -4.335 1.00 0.00 O ATOM 48 CB ILE A 4 -2.356 3.044 -3.525 1.00 0.00 C ATOM 49 CG1 ILE A 4 -3.666 2.550 -2.909 1.00 0.00 C ATOM 50 CG2 ILE A 4 -1.403 1.861 -3.711 1.00 0.00 C ATOM 51 CD1 ILE A 4 -4.368 1.608 -3.889 1.00 0.00 C ATOM 0 H ILE A 4 -3.109 5.518 -3.320 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.557 3.630 -1.613 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.559 3.503 -4.493 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.466 2.033 -1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.312 3.396 -2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.860 1.126 -4.373 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.469 2.212 -4.149 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.200 1.401 -2.744 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.302 1.256 -3.450 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.581 2.140 -4.816 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.722 0.756 -4.100 1.00 0.00 H new ATOM 63 N LYS A 5 0.456 5.138 -2.377 1.00 0.00 N ATOM 64 CA LYS A 5 1.781 5.592 -2.884 1.00 0.00 C ATOM 65 C LYS A 5 2.871 4.642 -2.384 1.00 0.00 C ATOM 66 O LYS A 5 2.677 3.900 -1.442 1.00 0.00 O ATOM 67 CB LYS A 5 2.065 7.006 -2.374 1.00 0.00 C ATOM 68 CG LYS A 5 2.022 7.017 -0.844 1.00 0.00 C ATOM 69 CD LYS A 5 0.850 7.881 -0.373 1.00 0.00 C ATOM 70 CE LYS A 5 0.868 7.976 1.154 1.00 0.00 C ATOM 71 NZ LYS A 5 0.460 9.347 1.570 1.00 0.00 N ATOM 0 H LYS A 5 0.270 5.350 -1.397 1.00 0.00 H new ATOM 0 HA LYS A 5 1.772 5.594 -3.974 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.042 7.340 -2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.328 7.703 -2.774 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.914 6.001 -0.465 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.959 7.407 -0.446 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.919 8.877 -0.811 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.092 7.449 -0.710 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.191 7.237 1.583 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.866 7.751 1.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.472 9.413 2.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.123 10.042 1.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.500 9.544 1.222 1.00 0.00 H new ATOM 85 N ALA A 6 4.018 4.657 -3.009 1.00 0.00 N ATOM 86 CA ALA A 6 5.118 3.754 -2.570 1.00 0.00 C ATOM 87 C ALA A 6 5.729 4.289 -1.271 1.00 0.00 C ATOM 88 O ALA A 6 5.532 5.435 -0.921 1.00 0.00 O ATOM 89 CB ALA A 6 6.195 3.697 -3.654 1.00 0.00 C ATOM 0 H ALA A 6 4.239 5.256 -3.804 1.00 0.00 H new ATOM 0 HA ALA A 6 4.721 2.753 -2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.000 3.036 -3.333 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.761 3.317 -4.579 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.593 4.697 -3.824 1.00 0.00 H new ATOM 95 N PRO A 7 6.456 3.435 -0.595 1.00 0.00 N ATOM 96 CA PRO A 7 7.116 3.784 0.675 1.00 0.00 C ATOM 97 C PRO A 7 8.387 4.598 0.410 1.00 0.00 C ATOM 98 O PRO A 7 8.732 4.877 -0.720 1.00 0.00 O ATOM 99 CB PRO A 7 7.455 2.424 1.288 1.00 0.00 C ATOM 100 CG PRO A 7 7.495 1.414 0.117 1.00 0.00 C ATOM 101 CD PRO A 7 6.685 2.043 -1.033 1.00 0.00 C ATOM 0 HA PRO A 7 6.495 4.397 1.328 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.415 2.459 1.804 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.707 2.133 2.026 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.522 1.220 -0.193 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.066 0.457 0.415 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.234 2.007 -1.974 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.744 1.516 -1.193 1.00 0.00 H new ATOM 109 N THR A 8 9.084 4.979 1.445 1.00 0.00 N ATOM 110 CA THR A 8 10.330 5.773 1.252 1.00 0.00 C ATOM 111 C THR A 8 11.534 4.830 1.214 1.00 0.00 C ATOM 112 O THR A 8 11.944 4.290 2.222 1.00 0.00 O ATOM 113 CB THR A 8 10.492 6.759 2.411 1.00 0.00 C ATOM 114 OG1 THR A 8 9.223 7.308 2.743 1.00 0.00 O ATOM 115 CG2 THR A 8 11.444 7.883 1.999 1.00 0.00 C ATOM 0 H THR A 8 8.845 4.775 2.415 1.00 0.00 H new ATOM 0 HA THR A 8 10.268 6.323 0.313 1.00 0.00 H new ATOM 0 HB THR A 8 10.902 6.239 3.277 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.324 7.939 3.486 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.558 8.584 2.826 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.416 7.461 1.744 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.037 8.406 1.133 1.00 0.00 H new ATOM 123 N PHE A 9 12.105 4.628 0.058 1.00 0.00 N ATOM 124 CA PHE A 9 13.282 3.720 -0.043 1.00 0.00 C ATOM 125 C PHE A 9 14.427 4.272 0.812 1.00 0.00 C ATOM 126 O PHE A 9 14.466 5.449 1.107 1.00 0.00 O ATOM 127 CB PHE A 9 13.733 3.631 -1.502 1.00 0.00 C ATOM 128 CG PHE A 9 12.610 3.072 -2.343 1.00 0.00 C ATOM 129 CD1 PHE A 9 12.277 1.714 -2.253 1.00 0.00 C ATOM 130 CD2 PHE A 9 11.900 3.911 -3.213 1.00 0.00 C ATOM 131 CE1 PHE A 9 11.235 1.195 -3.032 1.00 0.00 C ATOM 132 CE2 PHE A 9 10.858 3.393 -3.993 1.00 0.00 C ATOM 133 CZ PHE A 9 10.525 2.035 -3.902 1.00 0.00 C ATOM 0 H PHE A 9 11.807 5.052 -0.820 1.00 0.00 H new ATOM 0 HA PHE A 9 13.007 2.727 0.314 1.00 0.00 H new ATOM 0 HB2 PHE A 9 14.018 4.618 -1.866 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.614 2.994 -1.583 1.00 0.00 H new ATOM 0 HD1 PHE A 9 12.824 1.067 -1.583 1.00 0.00 H new ATOM 0 HD2 PHE A 9 12.157 4.958 -3.282 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.978 0.148 -2.963 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.312 4.040 -4.664 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.721 1.635 -4.502 1.00 0.00 H new ATOM 143 N PRO A 10 15.327 3.397 1.183 1.00 0.00 N ATOM 144 CA PRO A 10 16.493 3.759 2.009 1.00 0.00 C ATOM 145 C PRO A 10 17.564 4.440 1.152 1.00 0.00 C ATOM 146 O PRO A 10 17.299 4.894 0.056 1.00 0.00 O ATOM 147 CB PRO A 10 16.990 2.411 2.536 1.00 0.00 C ATOM 148 CG PRO A 10 16.459 1.337 1.557 1.00 0.00 C ATOM 149 CD PRO A 10 15.265 1.968 0.816 1.00 0.00 C ATOM 0 HA PRO A 10 16.253 4.461 2.808 1.00 0.00 H new ATOM 0 HB2 PRO A 10 18.079 2.390 2.583 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.624 2.230 3.547 1.00 0.00 H new ATOM 0 HG2 PRO A 10 17.236 1.036 0.854 1.00 0.00 H new ATOM 0 HG3 PRO A 10 16.151 0.441 2.095 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.347 1.830 -0.262 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.321 1.518 1.125 1.00 0.00 H new ATOM 157 N GLU A 11 18.770 4.515 1.642 1.00 0.00 N ATOM 158 CA GLU A 11 19.855 5.167 0.855 1.00 0.00 C ATOM 159 C GLU A 11 20.397 4.179 -0.181 1.00 0.00 C ATOM 160 O GLU A 11 20.366 4.433 -1.368 1.00 0.00 O ATOM 161 CB GLU A 11 20.985 5.589 1.797 1.00 0.00 C ATOM 162 CG GLU A 11 20.993 7.113 1.934 1.00 0.00 C ATOM 163 CD GLU A 11 19.642 7.585 2.475 1.00 0.00 C ATOM 164 OE1 GLU A 11 19.208 7.046 3.480 1.00 0.00 O ATOM 165 OE2 GLU A 11 19.065 8.476 1.875 1.00 0.00 O ATOM 0 H GLU A 11 19.052 4.153 2.553 1.00 0.00 H new ATOM 0 HA GLU A 11 19.458 6.046 0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 11 20.850 5.126 2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 11 21.944 5.243 1.410 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.794 7.424 2.605 1.00 0.00 H new ATOM 0 HG3 GLU A 11 21.190 7.575 0.966 1.00 0.00 H new ATOM 172 N SER A 12 20.896 3.056 0.261 1.00 0.00 N ATOM 173 CA SER A 12 21.442 2.054 -0.695 1.00 0.00 C ATOM 174 C SER A 12 20.505 1.928 -1.898 1.00 0.00 C ATOM 175 O SER A 12 20.931 1.656 -3.003 1.00 0.00 O ATOM 176 CB SER A 12 21.560 0.698 0.003 1.00 0.00 C ATOM 177 OG SER A 12 21.986 -0.278 -0.938 1.00 0.00 O ATOM 0 H SER A 12 20.948 2.790 1.244 1.00 0.00 H new ATOM 0 HA SER A 12 22.426 2.377 -1.036 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.271 0.761 0.827 1.00 0.00 H new ATOM 0 HB3 SER A 12 20.600 0.412 0.432 1.00 0.00 H new ATOM 0 HG SER A 12 22.064 -1.148 -0.494 1.00 0.00 H new ATOM 183 N ILE A 13 19.231 2.122 -1.693 1.00 0.00 N ATOM 184 CA ILE A 13 18.269 2.012 -2.825 1.00 0.00 C ATOM 185 C ILE A 13 17.655 3.385 -3.107 1.00 0.00 C ATOM 186 O ILE A 13 17.365 4.143 -2.203 1.00 0.00 O ATOM 187 CB ILE A 13 17.161 1.023 -2.459 1.00 0.00 C ATOM 188 CG1 ILE A 13 17.787 -0.271 -1.935 1.00 0.00 C ATOM 189 CG2 ILE A 13 16.320 0.715 -3.700 1.00 0.00 C ATOM 190 CD1 ILE A 13 16.683 -1.280 -1.615 1.00 0.00 C ATOM 0 H ILE A 13 18.815 2.352 -0.790 1.00 0.00 H new ATOM 0 HA ILE A 13 18.792 1.658 -3.713 1.00 0.00 H new ATOM 0 HB ILE A 13 16.525 1.459 -1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 13 18.468 -0.685 -2.679 1.00 0.00 H new ATOM 0 HG13 ILE A 13 18.377 -0.066 -1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 13 15.531 0.010 -3.439 1.00 0.00 H new ATOM 0 HG22 ILE A 13 15.874 1.636 -4.075 1.00 0.00 H new ATOM 0 HG23 ILE A 13 16.955 0.279 -4.471 1.00 0.00 H new ATOM 0 HD11 ILE A 13 17.129 -2.202 -1.242 1.00 0.00 H new ATOM 0 HD12 ILE A 13 16.020 -0.865 -0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 13 16.112 -1.493 -2.519 1.00 0.00 H new ATOM 202 N ALA A 14 17.454 3.711 -4.355 1.00 0.00 N ATOM 203 CA ALA A 14 16.859 5.035 -4.692 1.00 0.00 C ATOM 204 C ALA A 14 15.646 4.833 -5.602 1.00 0.00 C ATOM 205 O ALA A 14 15.338 5.662 -6.436 1.00 0.00 O ATOM 206 CB ALA A 14 17.901 5.893 -5.414 1.00 0.00 C ATOM 0 H ALA A 14 17.676 3.118 -5.155 1.00 0.00 H new ATOM 0 HA ALA A 14 16.546 5.536 -3.776 1.00 0.00 H new ATOM 0 HB1 ALA A 14 17.467 6.862 -5.661 1.00 0.00 H new ATOM 0 HB2 ALA A 14 18.766 6.037 -4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 14 18.214 5.392 -6.330 1.00 0.00 H new ATOM 212 N ASP A 15 14.953 3.736 -5.449 1.00 0.00 N ATOM 213 CA ASP A 15 13.761 3.484 -6.306 1.00 0.00 C ATOM 214 C ASP A 15 13.212 2.086 -6.017 1.00 0.00 C ATOM 215 O ASP A 15 13.635 1.421 -5.093 1.00 0.00 O ATOM 216 CB ASP A 15 14.162 3.579 -7.780 1.00 0.00 C ATOM 217 CG ASP A 15 15.591 3.063 -7.955 1.00 0.00 C ATOM 218 OD1 ASP A 15 15.952 2.129 -7.259 1.00 0.00 O ATOM 219 OD2 ASP A 15 16.302 3.612 -8.781 1.00 0.00 O ATOM 0 H ASP A 15 15.161 3.005 -4.768 1.00 0.00 H new ATOM 0 HA ASP A 15 12.995 4.228 -6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.476 2.995 -8.393 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.093 4.612 -8.121 1.00 0.00 H new ATOM 224 N GLY A 16 12.270 1.634 -6.801 1.00 0.00 N ATOM 225 CA GLY A 16 11.693 0.279 -6.569 1.00 0.00 C ATOM 226 C GLY A 16 11.081 -0.245 -7.869 1.00 0.00 C ATOM 227 O GLY A 16 11.337 0.270 -8.939 1.00 0.00 O ATOM 0 H GLY A 16 11.876 2.144 -7.591 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.468 -0.403 -6.219 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.933 0.325 -5.789 1.00 0.00 H new ATOM 231 N THR A 17 10.272 -1.266 -7.786 1.00 0.00 N ATOM 232 CA THR A 17 9.644 -1.821 -9.018 1.00 0.00 C ATOM 233 C THR A 17 8.282 -2.424 -8.668 1.00 0.00 C ATOM 234 O THR A 17 8.182 -3.322 -7.854 1.00 0.00 O ATOM 235 CB THR A 17 10.547 -2.908 -9.607 1.00 0.00 C ATOM 236 OG1 THR A 17 11.791 -2.332 -9.985 1.00 0.00 O ATOM 237 CG2 THR A 17 9.874 -3.525 -10.833 1.00 0.00 C ATOM 0 H THR A 17 10.019 -1.739 -6.919 1.00 0.00 H new ATOM 0 HA THR A 17 9.512 -1.024 -9.749 1.00 0.00 H new ATOM 0 HB THR A 17 10.717 -3.685 -8.861 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.372 -3.026 -10.361 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.518 -4.299 -11.251 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.920 -3.965 -10.542 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.703 -2.752 -11.582 1.00 0.00 H new ATOM 245 N VAL A 18 7.234 -1.939 -9.274 1.00 0.00 N ATOM 246 CA VAL A 18 5.880 -2.485 -8.975 1.00 0.00 C ATOM 247 C VAL A 18 5.946 -4.013 -8.922 1.00 0.00 C ATOM 248 O VAL A 18 6.884 -4.620 -9.398 1.00 0.00 O ATOM 249 CB VAL A 18 4.903 -2.055 -10.069 1.00 0.00 C ATOM 250 CG1 VAL A 18 3.506 -2.593 -9.749 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.855 -0.526 -10.136 1.00 0.00 C ATOM 0 H VAL A 18 7.256 -1.188 -9.964 1.00 0.00 H new ATOM 0 HA VAL A 18 5.539 -2.102 -8.013 1.00 0.00 H new ATOM 0 HB VAL A 18 5.235 -2.453 -11.028 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.810 -2.286 -10.530 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.538 -3.681 -9.699 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.174 -2.195 -8.790 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.159 -0.218 -10.916 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.523 -0.130 -9.176 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.849 -0.140 -10.364 1.00 0.00 H new ATOM 261 N ALA A 19 4.956 -4.639 -8.345 1.00 0.00 N ATOM 262 CA ALA A 19 4.965 -6.128 -8.262 1.00 0.00 C ATOM 263 C ALA A 19 3.919 -6.701 -9.221 1.00 0.00 C ATOM 264 O ALA A 19 4.245 -7.220 -10.270 1.00 0.00 O ATOM 265 CB ALA A 19 4.638 -6.561 -6.831 1.00 0.00 C ATOM 0 H ALA A 19 4.143 -4.185 -7.928 1.00 0.00 H new ATOM 0 HA ALA A 19 5.951 -6.501 -8.538 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.644 -7.649 -6.770 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.384 -6.155 -6.148 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.652 -6.188 -6.554 1.00 0.00 H new ATOM 271 N THR A 20 2.664 -6.613 -8.872 1.00 0.00 N ATOM 272 CA THR A 20 1.603 -7.157 -9.765 1.00 0.00 C ATOM 273 C THR A 20 0.258 -6.521 -9.411 1.00 0.00 C ATOM 274 O THR A 20 -0.127 -6.462 -8.259 1.00 0.00 O ATOM 275 CB THR A 20 1.513 -8.673 -9.583 1.00 0.00 C ATOM 276 OG1 THR A 20 2.687 -9.282 -10.103 1.00 0.00 O ATOM 277 CG2 THR A 20 0.288 -9.207 -10.325 1.00 0.00 C ATOM 0 H THR A 20 2.328 -6.188 -8.008 1.00 0.00 H new ATOM 0 HA THR A 20 1.850 -6.928 -10.802 1.00 0.00 H new ATOM 0 HB THR A 20 1.422 -8.906 -8.522 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.262 -8.596 -10.503 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.226 -10.287 -10.194 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.612 -8.740 -9.924 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.376 -8.975 -11.386 1.00 0.00 H new ATOM 285 N TRP A 21 -0.462 -6.046 -10.391 1.00 0.00 N ATOM 286 CA TRP A 21 -1.777 -5.419 -10.117 1.00 0.00 C ATOM 287 C TRP A 21 -2.871 -6.487 -10.168 1.00 0.00 C ATOM 288 O TRP A 21 -3.495 -6.701 -11.189 1.00 0.00 O ATOM 289 CB TRP A 21 -2.041 -4.358 -11.181 1.00 0.00 C ATOM 290 CG TRP A 21 -1.518 -3.039 -10.713 1.00 0.00 C ATOM 291 CD1 TRP A 21 -0.314 -2.516 -11.045 1.00 0.00 C ATOM 292 CD2 TRP A 21 -2.157 -2.068 -9.836 1.00 0.00 C ATOM 293 NE1 TRP A 21 -0.177 -1.286 -10.425 1.00 0.00 N ATOM 294 CE2 TRP A 21 -1.282 -0.968 -9.672 1.00 0.00 C ATOM 295 CE3 TRP A 21 -3.398 -2.032 -9.171 1.00 0.00 C ATOM 296 CZ2 TRP A 21 -1.620 0.125 -8.884 1.00 0.00 C ATOM 297 CZ3 TRP A 21 -3.745 -0.928 -8.372 1.00 0.00 C ATOM 298 CH2 TRP A 21 -2.856 0.149 -8.228 1.00 0.00 C ATOM 0 H TRP A 21 -0.190 -6.068 -11.374 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.776 -4.959 -9.129 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.560 -4.640 -12.118 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.110 -4.287 -11.381 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.419 -2.982 -11.688 1.00 0.00 H new ATOM 0 HE1 TRP A 21 0.644 -0.688 -10.516 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -4.087 -2.857 -9.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -0.933 0.951 -8.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.699 -0.909 -7.867 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.125 0.994 -7.612 1.00 0.00 H new ATOM 309 N HIS A 22 -3.103 -7.163 -9.076 1.00 0.00 N ATOM 310 CA HIS A 22 -4.158 -8.229 -9.064 1.00 0.00 C ATOM 311 C HIS A 22 -5.395 -7.737 -9.817 1.00 0.00 C ATOM 312 O HIS A 22 -5.712 -8.214 -10.888 1.00 0.00 O ATOM 313 CB HIS A 22 -4.555 -8.576 -7.622 1.00 0.00 C ATOM 314 CG HIS A 22 -3.363 -8.431 -6.725 1.00 0.00 C ATOM 315 ND1 HIS A 22 -2.981 -7.204 -6.215 1.00 0.00 N ATOM 316 CD2 HIS A 22 -2.427 -9.331 -6.280 1.00 0.00 C ATOM 317 CE1 HIS A 22 -1.857 -7.390 -5.511 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.474 -8.670 -5.513 1.00 0.00 N ATOM 0 H HIS A 22 -2.612 -7.028 -8.192 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.756 -9.119 -9.548 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.357 -7.919 -7.287 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.937 -9.596 -7.574 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.430 -10.390 -6.493 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.324 -6.600 -5.003 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.659 -9.075 -5.052 1.00 0.00 H new ATOM 326 N LYS A 23 -6.101 -6.790 -9.263 1.00 0.00 N ATOM 327 CA LYS A 23 -7.321 -6.274 -9.947 1.00 0.00 C ATOM 328 C LYS A 23 -7.029 -4.904 -10.563 1.00 0.00 C ATOM 329 O LYS A 23 -5.908 -4.434 -10.555 1.00 0.00 O ATOM 330 CB LYS A 23 -8.457 -6.143 -8.929 1.00 0.00 C ATOM 331 CG LYS A 23 -9.609 -7.067 -9.328 1.00 0.00 C ATOM 332 CD LYS A 23 -10.011 -7.928 -8.129 1.00 0.00 C ATOM 333 CE LYS A 23 -9.530 -9.364 -8.347 1.00 0.00 C ATOM 334 NZ LYS A 23 -10.707 -10.275 -8.430 1.00 0.00 N ATOM 0 H LYS A 23 -5.886 -6.351 -8.367 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.613 -6.968 -10.735 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.098 -6.401 -7.933 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.803 -5.110 -8.886 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.461 -6.478 -9.668 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.308 -7.702 -10.161 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.577 -7.523 -7.215 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.093 -7.911 -8.002 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.943 -9.427 -9.263 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.878 -9.669 -7.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.381 -11.251 -8.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.250 -10.222 -7.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.313 -9.988 -9.225 1.00 0.00 H new ATOM 348 N LYS A 24 -8.031 -4.262 -11.098 1.00 0.00 N ATOM 349 CA LYS A 24 -7.820 -2.922 -11.716 1.00 0.00 C ATOM 350 C LYS A 24 -8.629 -1.876 -10.943 1.00 0.00 C ATOM 351 O LYS A 24 -9.495 -2.218 -10.164 1.00 0.00 O ATOM 352 CB LYS A 24 -8.285 -2.952 -13.176 1.00 0.00 C ATOM 353 CG LYS A 24 -8.106 -4.361 -13.748 1.00 0.00 C ATOM 354 CD LYS A 24 -7.635 -4.267 -15.200 1.00 0.00 C ATOM 355 CE LYS A 24 -6.301 -5.001 -15.354 1.00 0.00 C ATOM 356 NZ LYS A 24 -6.160 -5.486 -16.756 1.00 0.00 N ATOM 0 H LYS A 24 -8.990 -4.609 -11.134 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.761 -2.666 -11.680 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.331 -2.654 -13.240 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.712 -2.235 -13.765 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.380 -4.916 -13.154 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.047 -4.909 -13.695 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.381 -4.704 -15.864 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.523 -3.222 -15.490 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.476 -4.334 -15.104 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.254 -5.841 -14.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.254 -5.985 -16.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.941 -6.136 -16.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.187 -4.676 -17.408 1.00 0.00 H new ATOM 370 N PRO A 25 -8.319 -0.627 -11.183 1.00 0.00 N ATOM 371 CA PRO A 25 -9.001 0.500 -10.523 1.00 0.00 C ATOM 372 C PRO A 25 -10.374 0.739 -11.157 1.00 0.00 C ATOM 373 O PRO A 25 -10.561 0.561 -12.345 1.00 0.00 O ATOM 374 CB PRO A 25 -8.067 1.685 -10.777 1.00 0.00 C ATOM 375 CG PRO A 25 -7.219 1.313 -12.016 1.00 0.00 C ATOM 376 CD PRO A 25 -7.264 -0.222 -12.135 1.00 0.00 C ATOM 0 HA PRO A 25 -9.183 0.329 -9.462 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.636 2.597 -10.955 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.430 1.871 -9.912 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.619 1.783 -12.914 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.193 1.663 -11.903 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.502 -0.536 -13.151 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.304 -0.670 -11.880 1.00 0.00 H new ATOM 384 N GLY A 26 -11.338 1.140 -10.373 1.00 0.00 N ATOM 385 CA GLY A 26 -12.697 1.388 -10.931 1.00 0.00 C ATOM 386 C GLY A 26 -13.594 0.182 -10.650 1.00 0.00 C ATOM 387 O GLY A 26 -14.788 0.219 -10.871 1.00 0.00 O ATOM 0 H GLY A 26 -11.243 1.306 -9.371 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.126 2.285 -10.485 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.634 1.565 -12.005 1.00 0.00 H new ATOM 391 N GLU A 27 -13.029 -0.890 -10.165 1.00 0.00 N ATOM 392 CA GLU A 27 -13.851 -2.098 -9.871 1.00 0.00 C ATOM 393 C GLU A 27 -14.279 -2.078 -8.402 1.00 0.00 C ATOM 394 O GLU A 27 -13.904 -1.202 -7.649 1.00 0.00 O ATOM 395 CB GLU A 27 -13.023 -3.357 -10.147 1.00 0.00 C ATOM 396 CG GLU A 27 -11.964 -3.523 -9.055 1.00 0.00 C ATOM 397 CD GLU A 27 -12.215 -4.825 -8.292 1.00 0.00 C ATOM 398 OE1 GLU A 27 -13.288 -5.384 -8.447 1.00 0.00 O ATOM 399 OE2 GLU A 27 -11.328 -5.242 -7.564 1.00 0.00 O ATOM 0 H GLU A 27 -12.034 -0.981 -9.960 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.737 -2.100 -10.506 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.672 -4.232 -10.175 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.545 -3.283 -11.124 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.968 -3.535 -9.498 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.997 -2.676 -8.370 1.00 0.00 H new ATOM 406 N ALA A 28 -15.064 -3.036 -7.990 1.00 0.00 N ATOM 407 CA ALA A 28 -15.514 -3.069 -6.571 1.00 0.00 C ATOM 408 C ALA A 28 -14.534 -3.904 -5.744 1.00 0.00 C ATOM 409 O ALA A 28 -13.809 -4.726 -6.268 1.00 0.00 O ATOM 410 CB ALA A 28 -16.909 -3.695 -6.493 1.00 0.00 C ATOM 0 H ALA A 28 -15.412 -3.796 -8.574 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.548 -2.053 -6.177 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.239 -3.720 -5.455 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.608 -3.101 -7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.875 -4.711 -6.887 1.00 0.00 H new ATOM 416 N VAL A 29 -14.507 -3.701 -4.455 1.00 0.00 N ATOM 417 CA VAL A 29 -13.573 -4.484 -3.598 1.00 0.00 C ATOM 418 C VAL A 29 -14.285 -4.893 -2.308 1.00 0.00 C ATOM 419 O VAL A 29 -15.490 -4.782 -2.190 1.00 0.00 O ATOM 420 CB VAL A 29 -12.353 -3.625 -3.257 1.00 0.00 C ATOM 421 CG1 VAL A 29 -11.603 -3.271 -4.542 1.00 0.00 C ATOM 422 CG2 VAL A 29 -12.813 -2.341 -2.565 1.00 0.00 C ATOM 0 H VAL A 29 -15.091 -3.027 -3.959 1.00 0.00 H new ATOM 0 HA VAL A 29 -13.251 -5.377 -4.133 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.691 -4.180 -2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.734 -2.659 -4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.276 -4.186 -5.036 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.264 -2.715 -5.207 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.945 -1.728 -2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.474 -1.786 -3.230 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.348 -2.593 -1.649 1.00 0.00 H new ATOM 432 N LYS A 30 -13.551 -5.366 -1.338 1.00 0.00 N ATOM 433 CA LYS A 30 -14.187 -5.782 -0.057 1.00 0.00 C ATOM 434 C LYS A 30 -13.277 -5.399 1.112 1.00 0.00 C ATOM 435 O LYS A 30 -12.069 -5.513 1.033 1.00 0.00 O ATOM 436 CB LYS A 30 -14.400 -7.297 -0.061 1.00 0.00 C ATOM 437 CG LYS A 30 -15.583 -7.650 0.842 1.00 0.00 C ATOM 438 CD LYS A 30 -16.892 -7.379 0.098 1.00 0.00 C ATOM 439 CE LYS A 30 -17.916 -8.459 0.455 1.00 0.00 C ATOM 440 NZ LYS A 30 -17.583 -9.718 -0.268 1.00 0.00 N ATOM 0 H LYS A 30 -12.538 -5.482 -1.378 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.149 -5.280 0.051 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.588 -7.646 -1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.499 -7.802 0.288 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.530 -8.698 1.136 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.544 -7.060 1.758 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.277 -6.395 0.365 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.716 -7.371 -0.978 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.916 -8.634 1.531 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.919 -8.127 0.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.409 -10.350 -0.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.322 -9.496 -1.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.785 -10.189 0.204 1.00 0.00 H new ATOM 454 N ARG A 31 -13.846 -4.944 2.195 1.00 0.00 N ATOM 455 CA ARG A 31 -13.018 -4.551 3.367 1.00 0.00 C ATOM 456 C ARG A 31 -11.919 -5.592 3.593 1.00 0.00 C ATOM 457 O ARG A 31 -12.188 -6.765 3.759 1.00 0.00 O ATOM 458 CB ARG A 31 -13.904 -4.468 4.613 1.00 0.00 C ATOM 459 CG ARG A 31 -14.992 -3.415 4.396 1.00 0.00 C ATOM 460 CD ARG A 31 -16.194 -3.733 5.288 1.00 0.00 C ATOM 461 NE ARG A 31 -16.456 -2.581 6.197 1.00 0.00 N ATOM 462 CZ ARG A 31 -15.533 -2.183 7.028 1.00 0.00 C ATOM 463 NH1 ARG A 31 -14.700 -3.047 7.541 1.00 0.00 N ATOM 464 NH2 ARG A 31 -15.440 -0.921 7.346 1.00 0.00 N ATOM 0 H ARG A 31 -14.852 -4.828 2.317 1.00 0.00 H new ATOM 0 HA ARG A 31 -12.563 -3.579 3.177 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.357 -5.438 4.815 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.302 -4.210 5.484 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -14.605 -2.423 4.629 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -15.296 -3.401 3.349 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -17.073 -3.933 4.675 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -16.000 -4.633 5.871 1.00 0.00 H new ATOM 0 HE ARG A 31 -17.357 -2.104 6.169 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -14.771 -4.034 7.292 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.978 -2.736 8.191 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -16.090 -0.245 6.945 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -14.718 -0.611 7.996 1.00 0.00 H new ATOM 478 N ASP A 32 -10.684 -5.173 3.600 1.00 0.00 N ATOM 479 CA ASP A 32 -9.571 -6.139 3.814 1.00 0.00 C ATOM 480 C ASP A 32 -9.342 -6.945 2.535 1.00 0.00 C ATOM 481 O ASP A 32 -9.403 -8.159 2.535 1.00 0.00 O ATOM 482 CB ASP A 32 -9.932 -7.089 4.958 1.00 0.00 C ATOM 483 CG ASP A 32 -8.654 -7.685 5.550 1.00 0.00 C ATOM 484 OD1 ASP A 32 -7.957 -8.379 4.827 1.00 0.00 O ATOM 485 OD2 ASP A 32 -8.393 -7.439 6.716 1.00 0.00 O ATOM 0 H ASP A 32 -10.398 -4.203 3.467 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.662 -5.594 4.068 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.487 -6.553 5.728 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.581 -7.885 4.593 1.00 0.00 H new ATOM 490 N GLU A 33 -9.080 -6.281 1.442 1.00 0.00 N ATOM 491 CA GLU A 33 -8.849 -7.011 0.164 1.00 0.00 C ATOM 492 C GLU A 33 -7.581 -6.476 -0.505 1.00 0.00 C ATOM 493 O GLU A 33 -7.474 -5.303 -0.804 1.00 0.00 O ATOM 494 CB GLU A 33 -10.045 -6.800 -0.767 1.00 0.00 C ATOM 495 CG GLU A 33 -9.840 -7.606 -2.052 1.00 0.00 C ATOM 496 CD GLU A 33 -11.074 -8.473 -2.312 1.00 0.00 C ATOM 497 OE1 GLU A 33 -11.222 -9.476 -1.634 1.00 0.00 O ATOM 498 OE2 GLU A 33 -11.849 -8.119 -3.186 1.00 0.00 O ATOM 0 H GLU A 33 -9.016 -5.265 1.379 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.731 -8.075 0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.964 -7.112 -0.272 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.154 -5.741 -1.003 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.671 -6.933 -2.893 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.953 -8.234 -1.963 1.00 0.00 H new ATOM 505 N LEU A 34 -6.619 -7.327 -0.740 1.00 0.00 N ATOM 506 CA LEU A 34 -5.358 -6.871 -1.387 1.00 0.00 C ATOM 507 C LEU A 34 -5.690 -5.921 -2.540 1.00 0.00 C ATOM 508 O LEU A 34 -6.804 -5.877 -3.021 1.00 0.00 O ATOM 509 CB LEU A 34 -4.595 -8.082 -1.927 1.00 0.00 C ATOM 510 CG LEU A 34 -3.268 -7.622 -2.532 1.00 0.00 C ATOM 511 CD1 LEU A 34 -2.438 -6.909 -1.463 1.00 0.00 C ATOM 512 CD2 LEU A 34 -2.496 -8.837 -3.050 1.00 0.00 C ATOM 0 H LEU A 34 -6.653 -8.320 -0.511 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.741 -6.351 -0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.412 -8.797 -1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.192 -8.595 -2.681 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.464 -6.936 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.492 -6.581 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.987 -6.043 -1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.242 -7.594 -0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.550 -8.510 -3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.301 -9.523 -2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.086 -9.345 -3.813 1.00 0.00 H new ATOM 524 N ILE A 35 -4.730 -5.157 -2.986 1.00 0.00 N ATOM 525 CA ILE A 35 -4.992 -4.211 -4.108 1.00 0.00 C ATOM 526 C ILE A 35 -3.778 -4.173 -5.037 1.00 0.00 C ATOM 527 O ILE A 35 -3.901 -4.300 -6.240 1.00 0.00 O ATOM 528 CB ILE A 35 -5.247 -2.812 -3.544 1.00 0.00 C ATOM 529 CG1 ILE A 35 -6.471 -2.848 -2.627 1.00 0.00 C ATOM 530 CG2 ILE A 35 -5.501 -1.837 -4.694 1.00 0.00 C ATOM 531 CD1 ILE A 35 -6.617 -1.501 -1.916 1.00 0.00 C ATOM 0 H ILE A 35 -3.777 -5.147 -2.623 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.867 -4.543 -4.668 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.376 -2.485 -2.976 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.368 -3.063 -3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.366 -3.648 -1.894 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.683 -0.840 -4.292 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.630 -1.811 -5.348 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.372 -2.164 -5.262 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.489 -1.527 -1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.724 -1.305 -1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.742 -0.711 -2.656 1.00 0.00 H new ATOM 543 N VAL A 36 -2.605 -4.000 -4.491 1.00 0.00 N ATOM 544 CA VAL A 36 -1.385 -3.954 -5.346 1.00 0.00 C ATOM 545 C VAL A 36 -0.178 -4.431 -4.536 1.00 0.00 C ATOM 546 O VAL A 36 -0.138 -4.302 -3.329 1.00 0.00 O ATOM 547 CB VAL A 36 -1.149 -2.519 -5.821 1.00 0.00 C ATOM 548 CG1 VAL A 36 -0.710 -1.653 -4.639 1.00 0.00 C ATOM 549 CG2 VAL A 36 -0.056 -2.511 -6.891 1.00 0.00 C ATOM 0 H VAL A 36 -2.439 -3.889 -3.491 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.521 -4.603 -6.211 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.073 -2.119 -6.239 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.542 -0.631 -4.979 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.488 -1.658 -3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.213 -2.052 -4.219 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.113 -1.489 -7.231 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.867 -2.912 -6.471 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.368 -3.127 -7.735 1.00 0.00 H new ATOM 559 N ASP A 37 0.806 -4.985 -5.191 1.00 0.00 N ATOM 560 CA ASP A 37 2.008 -5.471 -4.458 1.00 0.00 C ATOM 561 C ASP A 37 3.241 -4.695 -4.925 1.00 0.00 C ATOM 562 O ASP A 37 3.310 -4.238 -6.048 1.00 0.00 O ATOM 563 CB ASP A 37 2.208 -6.962 -4.738 1.00 0.00 C ATOM 564 CG ASP A 37 1.301 -7.781 -3.817 1.00 0.00 C ATOM 565 OD1 ASP A 37 0.948 -7.275 -2.763 1.00 0.00 O ATOM 566 OD2 ASP A 37 0.976 -8.899 -4.179 1.00 0.00 O ATOM 0 H ASP A 37 0.829 -5.122 -6.202 1.00 0.00 H new ATOM 0 HA ASP A 37 1.867 -5.317 -3.388 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.978 -7.181 -5.781 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.251 -7.236 -4.577 1.00 0.00 H new ATOM 571 N ILE A 38 4.218 -4.546 -4.072 1.00 0.00 N ATOM 572 CA ILE A 38 5.446 -3.801 -4.469 1.00 0.00 C ATOM 573 C ILE A 38 6.605 -4.786 -4.639 1.00 0.00 C ATOM 574 O ILE A 38 6.603 -5.864 -4.076 1.00 0.00 O ATOM 575 CB ILE A 38 5.799 -2.781 -3.384 1.00 0.00 C ATOM 576 CG1 ILE A 38 4.511 -2.204 -2.792 1.00 0.00 C ATOM 577 CG2 ILE A 38 6.629 -1.652 -3.995 1.00 0.00 C ATOM 578 CD1 ILE A 38 3.591 -1.742 -3.923 1.00 0.00 C ATOM 0 H ILE A 38 4.219 -4.908 -3.118 1.00 0.00 H new ATOM 0 HA ILE A 38 5.268 -3.281 -5.410 1.00 0.00 H new ATOM 0 HB ILE A 38 6.375 -3.270 -2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.008 -2.957 -2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.744 -1.367 -2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.880 -0.926 -3.222 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.545 -2.063 -4.419 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.054 -1.162 -4.780 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.674 -1.331 -3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.095 -0.975 -4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.348 -2.590 -4.563 1.00 0.00 H new ATOM 590 N GLU A 39 7.594 -4.427 -5.411 1.00 0.00 N ATOM 591 CA GLU A 39 8.750 -5.345 -5.614 1.00 0.00 C ATOM 592 C GLU A 39 10.055 -4.554 -5.506 1.00 0.00 C ATOM 593 O GLU A 39 10.317 -3.661 -6.287 1.00 0.00 O ATOM 594 CB GLU A 39 8.654 -5.985 -7.000 1.00 0.00 C ATOM 595 CG GLU A 39 8.875 -7.495 -6.882 1.00 0.00 C ATOM 596 CD GLU A 39 9.370 -8.045 -8.222 1.00 0.00 C ATOM 597 OE1 GLU A 39 9.396 -7.288 -9.177 1.00 0.00 O ATOM 598 OE2 GLU A 39 9.712 -9.216 -8.269 1.00 0.00 O ATOM 0 H GLU A 39 7.651 -3.539 -5.909 1.00 0.00 H new ATOM 0 HA GLU A 39 8.734 -6.124 -4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.677 -5.783 -7.439 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.399 -5.549 -7.666 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.603 -7.707 -6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.946 -7.988 -6.595 1.00 0.00 H new ATOM 605 N THR A 40 10.877 -4.875 -4.545 1.00 0.00 N ATOM 606 CA THR A 40 12.164 -4.140 -4.389 1.00 0.00 C ATOM 607 C THR A 40 13.332 -5.100 -4.624 1.00 0.00 C ATOM 608 O THR A 40 13.154 -6.200 -5.111 1.00 0.00 O ATOM 609 CB THR A 40 12.254 -3.565 -2.973 1.00 0.00 C ATOM 610 OG1 THR A 40 10.948 -3.452 -2.425 1.00 0.00 O ATOM 611 CG2 THR A 40 12.910 -2.184 -3.021 1.00 0.00 C ATOM 0 H THR A 40 10.713 -5.614 -3.861 1.00 0.00 H new ATOM 0 HA THR A 40 12.209 -3.328 -5.115 1.00 0.00 H new ATOM 0 HB THR A 40 12.854 -4.228 -2.350 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.646 -4.331 -2.115 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.973 -1.776 -2.012 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.912 -2.272 -3.441 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.313 -1.519 -3.645 1.00 0.00 H new ATOM 619 N ASP A 41 14.525 -4.692 -4.285 1.00 0.00 N ATOM 620 CA ASP A 41 15.705 -5.577 -4.489 1.00 0.00 C ATOM 621 C ASP A 41 15.355 -7.005 -4.068 1.00 0.00 C ATOM 622 O ASP A 41 15.276 -7.902 -4.883 1.00 0.00 O ATOM 623 CB ASP A 41 16.874 -5.068 -3.644 1.00 0.00 C ATOM 624 CG ASP A 41 18.091 -5.969 -3.862 1.00 0.00 C ATOM 625 OD1 ASP A 41 18.043 -6.789 -4.764 1.00 0.00 O ATOM 626 OD2 ASP A 41 19.052 -5.822 -3.124 1.00 0.00 O ATOM 0 H ASP A 41 14.733 -3.782 -3.875 1.00 0.00 H new ATOM 0 HA ASP A 41 15.986 -5.570 -5.542 1.00 0.00 H new ATOM 0 HB2 ASP A 41 17.115 -4.041 -3.918 1.00 0.00 H new ATOM 0 HB3 ASP A 41 16.598 -5.060 -2.590 1.00 0.00 H new ATOM 631 N LYS A 42 15.144 -7.224 -2.799 1.00 0.00 N ATOM 632 CA LYS A 42 14.800 -8.595 -2.326 1.00 0.00 C ATOM 633 C LYS A 42 13.708 -8.507 -1.259 1.00 0.00 C ATOM 634 O LYS A 42 13.673 -9.285 -0.326 1.00 0.00 O ATOM 635 CB LYS A 42 16.044 -9.256 -1.729 1.00 0.00 C ATOM 636 CG LYS A 42 17.236 -9.040 -2.662 1.00 0.00 C ATOM 637 CD LYS A 42 18.464 -9.758 -2.096 1.00 0.00 C ATOM 638 CE LYS A 42 18.733 -11.027 -2.906 1.00 0.00 C ATOM 639 NZ LYS A 42 19.782 -10.752 -3.928 1.00 0.00 N ATOM 0 H LYS A 42 15.195 -6.513 -2.069 1.00 0.00 H new ATOM 0 HA LYS A 42 14.440 -9.189 -3.166 1.00 0.00 H new ATOM 0 HB2 LYS A 42 16.257 -8.834 -0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.869 -10.322 -1.587 1.00 0.00 H new ATOM 0 HG2 LYS A 42 17.006 -9.420 -3.657 1.00 0.00 H new ATOM 0 HG3 LYS A 42 17.441 -7.975 -2.767 1.00 0.00 H new ATOM 0 HD2 LYS A 42 19.332 -9.100 -2.133 1.00 0.00 H new ATOM 0 HD3 LYS A 42 18.300 -10.011 -1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 42 19.056 -11.831 -2.245 1.00 0.00 H new ATOM 0 HE3 LYS A 42 17.816 -11.362 -3.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 19.965 -11.615 -4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 19.457 -9.997 -4.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 20.658 -10.452 -3.454 1.00 0.00 H new ATOM 653 N VAL A 43 12.814 -7.565 -1.387 1.00 0.00 N ATOM 654 CA VAL A 43 11.725 -7.428 -0.379 1.00 0.00 C ATOM 655 C VAL A 43 10.392 -7.197 -1.095 1.00 0.00 C ATOM 656 O VAL A 43 10.140 -6.137 -1.630 1.00 0.00 O ATOM 657 CB VAL A 43 12.025 -6.240 0.536 1.00 0.00 C ATOM 658 CG1 VAL A 43 10.925 -6.119 1.592 1.00 0.00 C ATOM 659 CG2 VAL A 43 13.373 -6.456 1.228 1.00 0.00 C ATOM 0 H VAL A 43 12.791 -6.884 -2.146 1.00 0.00 H new ATOM 0 HA VAL A 43 11.664 -8.339 0.216 1.00 0.00 H new ATOM 0 HB VAL A 43 12.063 -5.326 -0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.139 -5.272 2.244 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.964 -5.965 1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.887 -7.033 2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 43 13.587 -5.609 1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 43 13.335 -7.370 1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.158 -6.543 0.477 1.00 0.00 H new ATOM 669 N VAL A 44 9.537 -8.182 -1.107 1.00 0.00 N ATOM 670 CA VAL A 44 8.222 -8.019 -1.786 1.00 0.00 C ATOM 671 C VAL A 44 7.196 -7.478 -0.787 1.00 0.00 C ATOM 672 O VAL A 44 6.861 -8.126 0.184 1.00 0.00 O ATOM 673 CB VAL A 44 7.751 -9.373 -2.319 1.00 0.00 C ATOM 674 CG1 VAL A 44 6.295 -9.265 -2.774 1.00 0.00 C ATOM 675 CG2 VAL A 44 8.625 -9.787 -3.503 1.00 0.00 C ATOM 0 H VAL A 44 9.693 -9.093 -0.676 1.00 0.00 H new ATOM 0 HA VAL A 44 8.326 -7.319 -2.615 1.00 0.00 H new ATOM 0 HB VAL A 44 7.830 -10.120 -1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.960 -10.230 -3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.671 -8.971 -1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.215 -8.517 -3.563 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.290 -10.752 -3.883 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.547 -9.039 -4.292 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.663 -9.866 -3.179 1.00 0.00 H new ATOM 685 N MET A 45 6.696 -6.295 -1.018 1.00 0.00 N ATOM 686 CA MET A 45 5.694 -5.715 -0.080 1.00 0.00 C ATOM 687 C MET A 45 4.288 -5.918 -0.646 1.00 0.00 C ATOM 688 O MET A 45 4.113 -6.452 -1.724 1.00 0.00 O ATOM 689 CB MET A 45 5.963 -4.219 0.093 1.00 0.00 C ATOM 690 CG MET A 45 6.940 -4.006 1.251 1.00 0.00 C ATOM 691 SD MET A 45 7.560 -2.306 1.213 1.00 0.00 S ATOM 692 CE MET A 45 6.858 -1.773 2.794 1.00 0.00 C ATOM 0 H MET A 45 6.938 -5.706 -1.815 1.00 0.00 H new ATOM 0 HA MET A 45 5.772 -6.212 0.887 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.376 -3.804 -0.826 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.030 -3.691 0.289 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.443 -4.202 2.201 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.770 -4.709 1.175 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.122 -0.731 2.977 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.773 -1.872 2.762 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.256 -2.394 3.597 1.00 0.00 H new ATOM 702 N GLU A 46 3.282 -5.496 0.071 1.00 0.00 N ATOM 703 CA GLU A 46 1.888 -5.664 -0.427 1.00 0.00 C ATOM 704 C GLU A 46 1.086 -4.395 -0.133 1.00 0.00 C ATOM 705 O GLU A 46 1.529 -3.520 0.584 1.00 0.00 O ATOM 706 CB GLU A 46 1.236 -6.855 0.277 1.00 0.00 C ATOM 707 CG GLU A 46 2.127 -8.090 0.124 1.00 0.00 C ATOM 708 CD GLU A 46 1.543 -9.245 0.940 1.00 0.00 C ATOM 709 OE1 GLU A 46 0.330 -9.325 1.033 1.00 0.00 O ATOM 710 OE2 GLU A 46 2.321 -10.029 1.460 1.00 0.00 O ATOM 0 H GLU A 46 3.366 -5.042 0.981 1.00 0.00 H new ATOM 0 HA GLU A 46 1.904 -5.842 -1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.087 -6.630 1.333 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.252 -7.049 -0.149 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.198 -8.372 -0.926 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.138 -7.866 0.463 1.00 0.00 H new ATOM 717 N VAL A 47 -0.093 -4.287 -0.683 1.00 0.00 N ATOM 718 CA VAL A 47 -0.923 -3.074 -0.435 1.00 0.00 C ATOM 719 C VAL A 47 -2.391 -3.479 -0.304 1.00 0.00 C ATOM 720 O VAL A 47 -3.060 -3.751 -1.282 1.00 0.00 O ATOM 721 CB VAL A 47 -0.765 -2.101 -1.605 1.00 0.00 C ATOM 722 CG1 VAL A 47 -1.648 -0.875 -1.372 1.00 0.00 C ATOM 723 CG2 VAL A 47 0.697 -1.663 -1.709 1.00 0.00 C ATOM 0 H VAL A 47 -0.517 -4.986 -1.293 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.596 -2.592 0.486 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.064 -2.594 -2.530 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.535 -0.182 -2.206 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.690 -1.186 -1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.349 -0.382 -0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.811 -0.970 -2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.996 -1.170 -0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.328 -2.536 -1.875 1.00 0.00 H new ATOM 733 N LEU A 48 -2.900 -3.522 0.897 1.00 0.00 N ATOM 734 CA LEU A 48 -4.325 -3.910 1.090 1.00 0.00 C ATOM 735 C LEU A 48 -5.157 -2.663 1.397 1.00 0.00 C ATOM 736 O LEU A 48 -4.650 -1.672 1.883 1.00 0.00 O ATOM 737 CB LEU A 48 -4.432 -4.895 2.257 1.00 0.00 C ATOM 738 CG LEU A 48 -5.473 -5.965 1.929 1.00 0.00 C ATOM 739 CD1 LEU A 48 -4.823 -7.349 2.002 1.00 0.00 C ATOM 740 CD2 LEU A 48 -6.618 -5.888 2.940 1.00 0.00 C ATOM 0 H LEU A 48 -2.390 -3.305 1.753 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.699 -4.381 0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.464 -5.360 2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.713 -4.367 3.168 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.861 -5.798 0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.565 -8.112 1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.006 -7.405 1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.435 -7.516 3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.361 -6.651 2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.229 -6.056 3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.082 -4.903 2.890 1.00 0.00 H new ATOM 752 N ALA A 49 -6.431 -2.704 1.115 1.00 0.00 N ATOM 753 CA ALA A 49 -7.293 -1.520 1.392 1.00 0.00 C ATOM 754 C ALA A 49 -7.747 -1.549 2.852 1.00 0.00 C ATOM 755 O ALA A 49 -7.639 -2.555 3.525 1.00 0.00 O ATOM 756 CB ALA A 49 -8.518 -1.557 0.475 1.00 0.00 C ATOM 0 H ALA A 49 -6.911 -3.505 0.705 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.727 -0.607 1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.150 -0.692 0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.194 -1.536 -0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.084 -2.470 0.660 1.00 0.00 H new ATOM 762 N GLU A 50 -8.256 -0.455 3.347 1.00 0.00 N ATOM 763 CA GLU A 50 -8.717 -0.422 4.763 1.00 0.00 C ATOM 764 C GLU A 50 -10.244 -0.501 4.804 1.00 0.00 C ATOM 765 O GLU A 50 -10.861 -0.255 5.822 1.00 0.00 O ATOM 766 CB GLU A 50 -8.256 0.882 5.420 1.00 0.00 C ATOM 767 CG GLU A 50 -7.309 0.563 6.579 1.00 0.00 C ATOM 768 CD GLU A 50 -7.415 1.659 7.640 1.00 0.00 C ATOM 769 OE1 GLU A 50 -8.385 1.648 8.380 1.00 0.00 O ATOM 770 OE2 GLU A 50 -6.524 2.491 7.696 1.00 0.00 O ATOM 0 H GLU A 50 -8.373 0.418 2.832 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.294 -1.270 5.302 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.752 1.512 4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.117 1.443 5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.562 -0.404 7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.284 0.491 6.216 1.00 0.00 H new ATOM 777 N ALA A 51 -10.859 -0.842 3.705 1.00 0.00 N ATOM 778 CA ALA A 51 -12.346 -0.936 3.683 1.00 0.00 C ATOM 779 C ALA A 51 -12.833 -0.971 2.233 1.00 0.00 C ATOM 780 O ALA A 51 -12.106 -0.643 1.316 1.00 0.00 O ATOM 781 CB ALA A 51 -12.945 0.280 4.393 1.00 0.00 C ATOM 0 H ALA A 51 -10.397 -1.059 2.822 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.660 -1.846 4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -14.033 0.211 4.377 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.598 0.306 5.426 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.631 1.190 3.882 1.00 0.00 H new ATOM 787 N ASP A 52 -14.059 -1.365 2.018 1.00 0.00 N ATOM 788 CA ASP A 52 -14.591 -1.420 0.628 1.00 0.00 C ATOM 789 C ASP A 52 -14.494 -0.031 -0.007 1.00 0.00 C ATOM 790 O ASP A 52 -14.193 0.948 0.647 1.00 0.00 O ATOM 791 CB ASP A 52 -16.052 -1.905 0.664 1.00 0.00 C ATOM 792 CG ASP A 52 -16.863 -1.310 -0.494 1.00 0.00 C ATOM 793 OD1 ASP A 52 -16.889 -1.924 -1.548 1.00 0.00 O ATOM 794 OD2 ASP A 52 -17.443 -0.255 -0.304 1.00 0.00 O ATOM 0 H ASP A 52 -14.714 -1.651 2.745 1.00 0.00 H new ATOM 0 HA ASP A 52 -14.006 -2.117 0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.078 -2.993 0.608 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.508 -1.623 1.613 1.00 0.00 H new ATOM 799 N GLY A 53 -14.749 0.055 -1.281 1.00 0.00 N ATOM 800 CA GLY A 53 -14.676 1.373 -1.973 1.00 0.00 C ATOM 801 C GLY A 53 -14.275 1.162 -3.434 1.00 0.00 C ATOM 802 O GLY A 53 -14.163 0.046 -3.901 1.00 0.00 O ATOM 0 H GLY A 53 -15.006 -0.733 -1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.641 1.878 -1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.951 2.017 -1.475 1.00 0.00 H new ATOM 806 N VAL A 54 -14.060 2.225 -4.160 1.00 0.00 N ATOM 807 CA VAL A 54 -13.667 2.083 -5.590 1.00 0.00 C ATOM 808 C VAL A 54 -12.360 2.840 -5.836 1.00 0.00 C ATOM 809 O VAL A 54 -12.213 3.984 -5.456 1.00 0.00 O ATOM 810 CB VAL A 54 -14.767 2.662 -6.481 1.00 0.00 C ATOM 811 CG1 VAL A 54 -14.280 2.706 -7.931 1.00 0.00 C ATOM 812 CG2 VAL A 54 -16.013 1.777 -6.390 1.00 0.00 C ATOM 0 H VAL A 54 -14.140 3.185 -3.825 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.527 1.028 -5.826 1.00 0.00 H new ATOM 0 HB VAL A 54 -15.010 3.671 -6.149 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.064 3.119 -8.566 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.391 3.334 -7.997 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.037 1.697 -8.264 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.798 2.188 -7.024 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.768 0.768 -6.723 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -16.361 1.744 -5.358 1.00 0.00 H new ATOM 822 N ILE A 55 -11.409 2.209 -6.470 1.00 0.00 N ATOM 823 CA ILE A 55 -10.113 2.894 -6.739 1.00 0.00 C ATOM 824 C ILE A 55 -10.316 3.968 -7.809 1.00 0.00 C ATOM 825 O ILE A 55 -11.416 4.205 -8.265 1.00 0.00 O ATOM 826 CB ILE A 55 -9.084 1.873 -7.232 1.00 0.00 C ATOM 827 CG1 ILE A 55 -9.360 0.506 -6.595 1.00 0.00 C ATOM 828 CG2 ILE A 55 -7.680 2.337 -6.844 1.00 0.00 C ATOM 829 CD1 ILE A 55 -9.635 0.679 -5.099 1.00 0.00 C ATOM 0 H ILE A 55 -11.474 1.250 -6.813 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.752 3.357 -5.821 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.157 1.787 -8.316 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.215 0.034 -7.079 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.505 -0.154 -6.743 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.947 1.611 -7.195 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.478 3.306 -7.301 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.613 2.426 -5.760 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.831 -0.295 -4.650 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.767 1.132 -4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.503 1.323 -4.961 1.00 0.00 H new ATOM 841 N ALA A 56 -9.261 4.621 -8.213 1.00 0.00 N ATOM 842 CA ALA A 56 -9.393 5.681 -9.254 1.00 0.00 C ATOM 843 C ALA A 56 -8.663 5.240 -10.524 1.00 0.00 C ATOM 844 O ALA A 56 -9.252 5.125 -11.581 1.00 0.00 O ATOM 845 CB ALA A 56 -8.778 6.982 -8.738 1.00 0.00 C ATOM 0 H ALA A 56 -8.314 4.467 -7.868 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.448 5.842 -9.478 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.874 7.757 -9.499 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.297 7.296 -7.833 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.723 6.822 -8.514 1.00 0.00 H new ATOM 851 N GLU A 57 -7.385 4.995 -10.431 1.00 0.00 N ATOM 852 CA GLU A 57 -6.620 4.563 -11.635 1.00 0.00 C ATOM 853 C GLU A 57 -5.159 4.316 -11.252 1.00 0.00 C ATOM 854 O GLU A 57 -4.670 4.834 -10.267 1.00 0.00 O ATOM 855 CB GLU A 57 -6.688 5.658 -12.702 1.00 0.00 C ATOM 856 CG GLU A 57 -6.330 7.006 -12.073 1.00 0.00 C ATOM 857 CD GLU A 57 -6.575 8.124 -13.089 1.00 0.00 C ATOM 858 OE1 GLU A 57 -7.353 7.908 -14.002 1.00 0.00 O ATOM 859 OE2 GLU A 57 -5.979 9.178 -12.934 1.00 0.00 O ATOM 0 H GLU A 57 -6.838 5.075 -9.574 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.053 3.643 -12.028 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.000 5.430 -13.516 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.689 5.700 -13.132 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.931 7.174 -11.180 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.286 7.007 -11.759 1.00 0.00 H new ATOM 866 N ILE A 58 -4.459 3.528 -12.021 1.00 0.00 N ATOM 867 CA ILE A 58 -3.031 3.250 -11.700 1.00 0.00 C ATOM 868 C ILE A 58 -2.143 4.289 -12.387 1.00 0.00 C ATOM 869 O ILE A 58 -2.387 4.684 -13.509 1.00 0.00 O ATOM 870 CB ILE A 58 -2.657 1.853 -12.198 1.00 0.00 C ATOM 871 CG1 ILE A 58 -3.740 0.855 -11.781 1.00 0.00 C ATOM 872 CG2 ILE A 58 -1.318 1.434 -11.590 1.00 0.00 C ATOM 873 CD1 ILE A 58 -4.400 0.267 -13.029 1.00 0.00 C ATOM 0 H ILE A 58 -4.814 3.065 -12.857 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.886 3.302 -10.621 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.574 1.867 -13.285 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.303 0.059 -11.178 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.487 1.351 -11.161 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.053 0.438 -11.946 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.546 2.143 -11.887 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.400 1.421 -10.503 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.171 -0.444 -12.732 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.851 1.069 -13.614 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.649 -0.243 -13.632 1.00 0.00 H new ATOM 885 N VAL A 59 -1.113 4.735 -11.721 1.00 0.00 N ATOM 886 CA VAL A 59 -0.210 5.748 -12.337 1.00 0.00 C ATOM 887 C VAL A 59 1.047 5.053 -12.865 1.00 0.00 C ATOM 888 O VAL A 59 1.797 5.612 -13.641 1.00 0.00 O ATOM 889 CB VAL A 59 0.186 6.786 -11.285 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.855 7.978 -11.971 1.00 0.00 C ATOM 891 CG2 VAL A 59 -1.066 7.262 -10.544 1.00 0.00 C ATOM 0 H VAL A 59 -0.858 4.442 -10.778 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.726 6.244 -13.159 1.00 0.00 H new ATOM 0 HB VAL A 59 0.882 6.338 -10.576 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.137 8.718 -11.222 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.746 7.640 -12.501 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.160 8.427 -12.680 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.786 8.002 -9.794 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.761 7.711 -11.254 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.544 6.413 -10.055 1.00 0.00 H new ATOM 901 N LYS A 60 1.282 3.838 -12.451 1.00 0.00 N ATOM 902 CA LYS A 60 2.490 3.108 -12.929 1.00 0.00 C ATOM 903 C LYS A 60 2.070 1.759 -13.514 1.00 0.00 C ATOM 904 O LYS A 60 0.899 1.473 -13.663 1.00 0.00 O ATOM 905 CB LYS A 60 3.446 2.882 -11.756 1.00 0.00 C ATOM 906 CG LYS A 60 4.815 3.477 -12.090 1.00 0.00 C ATOM 907 CD LYS A 60 4.817 4.970 -11.758 1.00 0.00 C ATOM 908 CE LYS A 60 5.489 5.745 -12.892 1.00 0.00 C ATOM 909 NZ LYS A 60 4.445 6.339 -13.774 1.00 0.00 N ATOM 0 H LYS A 60 0.690 3.319 -11.802 1.00 0.00 H new ATOM 0 HA LYS A 60 2.992 3.696 -13.697 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.047 3.345 -10.854 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.541 1.816 -11.551 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.593 2.966 -11.523 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.040 3.328 -13.146 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.795 5.323 -11.618 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.346 5.144 -10.821 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.125 6.530 -12.483 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.133 5.081 -13.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.700 6.179 -14.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.527 5.892 -13.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.379 7.361 -13.594 1.00 0.00 H new ATOM 923 N ASN A 61 3.017 0.924 -13.846 1.00 0.00 N ATOM 924 CA ASN A 61 2.671 -0.406 -14.420 1.00 0.00 C ATOM 925 C ASN A 61 3.475 -1.495 -13.707 1.00 0.00 C ATOM 926 O ASN A 61 4.445 -1.219 -13.029 1.00 0.00 O ATOM 927 CB ASN A 61 3.006 -0.419 -15.913 1.00 0.00 C ATOM 928 CG ASN A 61 1.900 0.295 -16.692 1.00 0.00 C ATOM 929 OD1 ASN A 61 1.001 -0.337 -17.210 1.00 0.00 O ATOM 930 ND2 ASN A 61 1.928 1.595 -16.798 1.00 0.00 N ATOM 0 H ASN A 61 4.015 1.106 -13.744 1.00 0.00 H new ATOM 0 HA ASN A 61 1.606 -0.594 -14.285 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.963 0.074 -16.086 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.108 -1.446 -16.264 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.195 2.080 -17.316 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.683 2.126 -16.363 1.00 0.00 H new ATOM 937 N GLU A 62 3.080 -2.729 -13.854 1.00 0.00 N ATOM 938 CA GLU A 62 3.823 -3.833 -13.182 1.00 0.00 C ATOM 939 C GLU A 62 5.208 -3.974 -13.817 1.00 0.00 C ATOM 940 O GLU A 62 5.351 -3.987 -15.023 1.00 0.00 O ATOM 941 CB GLU A 62 3.052 -5.145 -13.347 1.00 0.00 C ATOM 942 CG GLU A 62 1.549 -4.861 -13.366 1.00 0.00 C ATOM 943 CD GLU A 62 1.009 -5.056 -14.784 1.00 0.00 C ATOM 944 OE1 GLU A 62 1.108 -6.163 -15.287 1.00 0.00 O ATOM 945 OE2 GLU A 62 0.506 -4.096 -15.343 1.00 0.00 O ATOM 0 H GLU A 62 2.276 -3.021 -14.410 1.00 0.00 H new ATOM 0 HA GLU A 62 3.929 -3.606 -12.121 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.350 -5.639 -14.272 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.293 -5.825 -12.530 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.034 -5.528 -12.675 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.357 -3.842 -13.029 1.00 0.00 H new ATOM 952 N GLY A 63 6.230 -4.080 -13.012 1.00 0.00 N ATOM 953 CA GLY A 63 7.606 -4.221 -13.569 1.00 0.00 C ATOM 954 C GLY A 63 8.199 -2.835 -13.828 1.00 0.00 C ATOM 955 O GLY A 63 9.358 -2.701 -14.169 1.00 0.00 O ATOM 0 H GLY A 63 6.172 -4.075 -11.994 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.237 -4.773 -12.872 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.577 -4.794 -14.496 1.00 0.00 H new ATOM 959 N ASP A 64 7.416 -1.802 -13.671 1.00 0.00 N ATOM 960 CA ASP A 64 7.943 -0.429 -13.908 1.00 0.00 C ATOM 961 C ASP A 64 8.741 0.028 -12.685 1.00 0.00 C ATOM 962 O ASP A 64 8.738 -0.610 -11.651 1.00 0.00 O ATOM 963 CB ASP A 64 6.765 0.526 -14.181 1.00 0.00 C ATOM 964 CG ASP A 64 7.085 1.950 -13.707 1.00 0.00 C ATOM 965 OD1 ASP A 64 7.227 2.137 -12.511 1.00 0.00 O ATOM 966 OD2 ASP A 64 7.182 2.826 -14.551 1.00 0.00 O ATOM 0 H ASP A 64 6.437 -1.850 -13.390 1.00 0.00 H new ATOM 0 HA ASP A 64 8.605 -0.425 -14.774 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.541 0.536 -15.248 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.873 0.162 -13.672 1.00 0.00 H new ATOM 971 N THR A 65 9.423 1.131 -12.803 1.00 0.00 N ATOM 972 CA THR A 65 10.227 1.642 -11.658 1.00 0.00 C ATOM 973 C THR A 65 9.441 2.734 -10.929 1.00 0.00 C ATOM 974 O THR A 65 8.807 3.569 -11.543 1.00 0.00 O ATOM 975 CB THR A 65 11.544 2.221 -12.177 1.00 0.00 C ATOM 976 OG1 THR A 65 12.200 1.253 -12.984 1.00 0.00 O ATOM 977 CG2 THR A 65 12.440 2.596 -10.996 1.00 0.00 C ATOM 0 H THR A 65 9.459 1.704 -13.646 1.00 0.00 H new ATOM 0 HA THR A 65 10.437 0.824 -10.968 1.00 0.00 H new ATOM 0 HB THR A 65 11.340 3.112 -12.771 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.043 1.623 -13.319 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.378 3.008 -11.368 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.936 3.340 -10.379 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.646 1.708 -10.399 1.00 0.00 H new ATOM 985 N VAL A 66 9.477 2.735 -9.625 1.00 0.00 N ATOM 986 CA VAL A 66 8.732 3.774 -8.861 1.00 0.00 C ATOM 987 C VAL A 66 9.705 4.544 -7.966 1.00 0.00 C ATOM 988 O VAL A 66 10.853 4.176 -7.820 1.00 0.00 O ATOM 989 CB VAL A 66 7.665 3.103 -7.994 1.00 0.00 C ATOM 990 CG1 VAL A 66 6.842 2.141 -8.852 1.00 0.00 C ATOM 991 CG2 VAL A 66 8.343 2.325 -6.864 1.00 0.00 C ATOM 0 H VAL A 66 9.990 2.062 -9.056 1.00 0.00 H new ATOM 0 HA VAL A 66 8.254 4.464 -9.557 1.00 0.00 H new ATOM 0 HB VAL A 66 7.009 3.864 -7.570 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.082 1.663 -8.235 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.360 2.694 -9.658 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.497 1.380 -9.276 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.584 1.846 -6.245 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.998 1.564 -7.288 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.931 3.010 -6.252 1.00 0.00 H new ATOM 1001 N LEU A 67 9.256 5.613 -7.366 1.00 0.00 N ATOM 1002 CA LEU A 67 10.156 6.405 -6.482 1.00 0.00 C ATOM 1003 C LEU A 67 9.436 6.716 -5.168 1.00 0.00 C ATOM 1004 O LEU A 67 8.286 6.371 -4.982 1.00 0.00 O ATOM 1005 CB LEU A 67 10.533 7.715 -7.179 1.00 0.00 C ATOM 1006 CG LEU A 67 9.329 8.240 -7.963 1.00 0.00 C ATOM 1007 CD1 LEU A 67 9.247 9.761 -7.813 1.00 0.00 C ATOM 1008 CD2 LEU A 67 9.489 7.883 -9.442 1.00 0.00 C ATOM 0 H LEU A 67 8.305 5.972 -7.450 1.00 0.00 H new ATOM 0 HA LEU A 67 11.059 5.831 -6.275 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.851 8.453 -6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.375 7.552 -7.851 1.00 0.00 H new ATOM 0 HG LEU A 67 8.417 7.786 -7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.389 10.136 -8.371 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.134 10.017 -6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.159 10.215 -8.201 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.631 8.257 -10.001 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.401 8.337 -9.829 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.549 6.800 -9.550 1.00 0.00 H new ATOM 1020 N SER A 68 10.104 7.367 -4.254 1.00 0.00 N ATOM 1021 CA SER A 68 9.458 7.700 -2.954 1.00 0.00 C ATOM 1022 C SER A 68 8.270 8.632 -3.199 1.00 0.00 C ATOM 1023 O SER A 68 8.286 9.450 -4.096 1.00 0.00 O ATOM 1024 CB SER A 68 10.471 8.392 -2.043 1.00 0.00 C ATOM 1025 OG SER A 68 9.960 8.435 -0.718 1.00 0.00 O ATOM 0 H SER A 68 11.069 7.682 -4.352 1.00 0.00 H new ATOM 0 HA SER A 68 9.109 6.784 -2.477 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.420 7.856 -2.062 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.669 9.402 -2.401 1.00 0.00 H new ATOM 0 HG SER A 68 9.156 7.878 -0.659 1.00 0.00 H new ATOM 1031 N GLY A 69 7.239 8.515 -2.407 1.00 0.00 N ATOM 1032 CA GLY A 69 6.052 9.396 -2.595 1.00 0.00 C ATOM 1033 C GLY A 69 5.501 9.219 -4.011 1.00 0.00 C ATOM 1034 O GLY A 69 4.915 10.119 -4.578 1.00 0.00 O ATOM 0 H GLY A 69 7.168 7.848 -1.639 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.284 9.150 -1.862 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.329 10.437 -2.429 1.00 0.00 H new ATOM 1038 N GLU A 70 5.683 8.062 -4.588 1.00 0.00 N ATOM 1039 CA GLU A 70 5.170 7.828 -5.966 1.00 0.00 C ATOM 1040 C GLU A 70 3.696 7.421 -5.898 1.00 0.00 C ATOM 1041 O GLU A 70 3.353 6.382 -5.367 1.00 0.00 O ATOM 1042 CB GLU A 70 5.978 6.712 -6.630 1.00 0.00 C ATOM 1043 CG GLU A 70 5.556 6.577 -8.095 1.00 0.00 C ATOM 1044 CD GLU A 70 5.597 7.950 -8.767 1.00 0.00 C ATOM 1045 OE1 GLU A 70 4.624 8.677 -8.644 1.00 0.00 O ATOM 1046 OE2 GLU A 70 6.600 8.253 -9.391 1.00 0.00 O ATOM 0 H GLU A 70 6.165 7.269 -4.164 1.00 0.00 H new ATOM 0 HA GLU A 70 5.268 8.743 -6.551 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.043 6.933 -6.567 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.816 5.770 -6.106 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.221 5.887 -8.614 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.551 6.160 -8.158 1.00 0.00 H new ATOM 1053 N LEU A 71 2.822 8.230 -6.430 1.00 0.00 N ATOM 1054 CA LEU A 71 1.372 7.890 -6.394 1.00 0.00 C ATOM 1055 C LEU A 71 1.089 6.756 -7.381 1.00 0.00 C ATOM 1056 O LEU A 71 1.076 6.953 -8.579 1.00 0.00 O ATOM 1057 CB LEU A 71 0.550 9.121 -6.780 1.00 0.00 C ATOM 1058 CG LEU A 71 -0.932 8.746 -6.846 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -1.504 8.673 -5.429 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -1.690 9.806 -7.647 1.00 0.00 C ATOM 0 H LEU A 71 3.049 9.112 -6.888 1.00 0.00 H new ATOM 0 HA LEU A 71 1.098 7.572 -5.388 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.702 9.916 -6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.882 9.505 -7.745 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.040 7.776 -7.332 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.560 8.406 -5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.964 7.918 -4.857 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.396 9.643 -4.943 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.746 9.540 -7.695 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.582 10.776 -7.161 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.283 9.859 -8.657 1.00 0.00 H new ATOM 1072 N LEU A 72 0.862 5.569 -6.888 1.00 0.00 N ATOM 1073 CA LEU A 72 0.579 4.424 -7.799 1.00 0.00 C ATOM 1074 C LEU A 72 -0.926 4.339 -8.058 1.00 0.00 C ATOM 1075 O LEU A 72 -1.377 3.611 -8.919 1.00 0.00 O ATOM 1076 CB LEU A 72 1.059 3.124 -7.149 1.00 0.00 C ATOM 1077 CG LEU A 72 2.433 3.346 -6.514 1.00 0.00 C ATOM 1078 CD1 LEU A 72 2.850 2.089 -5.749 1.00 0.00 C ATOM 1079 CD2 LEU A 72 3.459 3.638 -7.612 1.00 0.00 C ATOM 0 H LEU A 72 0.860 5.343 -5.893 1.00 0.00 H new ATOM 0 HA LEU A 72 1.103 4.573 -8.743 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.345 2.799 -6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.116 2.331 -7.895 1.00 0.00 H new ATOM 0 HG LEU A 72 2.384 4.190 -5.826 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.829 2.247 -5.296 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.119 1.879 -4.968 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.900 1.245 -6.436 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.439 3.797 -7.162 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.508 2.793 -8.299 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.162 4.533 -8.159 1.00 0.00 H new ATOM 1091 N GLY A 73 -1.708 5.077 -7.318 1.00 0.00 N ATOM 1092 CA GLY A 73 -3.184 5.038 -7.524 1.00 0.00 C ATOM 1093 C GLY A 73 -3.880 5.730 -6.351 1.00 0.00 C ATOM 1094 O GLY A 73 -3.292 5.956 -5.312 1.00 0.00 O ATOM 0 H GLY A 73 -1.389 5.705 -6.580 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.445 5.533 -8.459 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.524 4.005 -7.605 1.00 0.00 H new ATOM 1098 N LYS A 74 -5.131 6.067 -6.507 1.00 0.00 N ATOM 1099 CA LYS A 74 -5.864 6.744 -5.400 1.00 0.00 C ATOM 1100 C LYS A 74 -7.254 6.123 -5.255 1.00 0.00 C ATOM 1101 O LYS A 74 -7.890 5.767 -6.227 1.00 0.00 O ATOM 1102 CB LYS A 74 -6.002 8.235 -5.716 1.00 0.00 C ATOM 1103 CG LYS A 74 -6.343 8.413 -7.197 1.00 0.00 C ATOM 1104 CD LYS A 74 -5.125 8.964 -7.939 1.00 0.00 C ATOM 1105 CE LYS A 74 -5.263 10.480 -8.096 1.00 0.00 C ATOM 1106 NZ LYS A 74 -5.307 10.828 -9.544 1.00 0.00 N ATOM 0 H LYS A 74 -5.677 5.903 -7.353 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.311 6.620 -4.469 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.782 8.678 -5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.073 8.755 -5.481 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.644 7.459 -7.629 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.188 9.093 -7.307 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.214 8.726 -7.390 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.039 8.493 -8.918 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.170 10.827 -7.600 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.424 10.984 -7.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.401 11.858 -9.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.430 10.511 -10.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.121 10.358 -9.989 1.00 0.00 H new ATOM 1120 N LEU A 75 -7.732 5.990 -4.047 1.00 0.00 N ATOM 1121 CA LEU A 75 -9.080 5.391 -3.842 1.00 0.00 C ATOM 1122 C LEU A 75 -10.114 6.506 -3.678 1.00 0.00 C ATOM 1123 O LEU A 75 -9.775 7.660 -3.508 1.00 0.00 O ATOM 1124 CB LEU A 75 -9.066 4.520 -2.584 1.00 0.00 C ATOM 1125 CG LEU A 75 -10.291 3.604 -2.584 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -9.869 2.189 -2.180 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -11.322 4.131 -1.585 1.00 0.00 C ATOM 0 H LEU A 75 -7.247 6.270 -3.195 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.340 4.778 -4.705 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.154 3.925 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.069 5.149 -1.694 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.729 3.583 -3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.741 1.535 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.133 1.812 -2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.432 2.211 -1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.195 3.478 -1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.884 4.152 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.623 5.139 -1.870 1.00 0.00 H new ATOM 1139 N THR A 76 -11.375 6.172 -3.729 1.00 0.00 N ATOM 1140 CA THR A 76 -12.430 7.213 -3.577 1.00 0.00 C ATOM 1141 C THR A 76 -12.752 7.399 -2.093 1.00 0.00 C ATOM 1142 O THR A 76 -12.332 6.624 -1.255 1.00 0.00 O ATOM 1143 CB THR A 76 -13.691 6.774 -4.323 1.00 0.00 C ATOM 1144 OG1 THR A 76 -13.328 6.232 -5.586 1.00 0.00 O ATOM 1145 CG2 THR A 76 -14.612 7.977 -4.528 1.00 0.00 C ATOM 0 H THR A 76 -11.720 5.222 -3.869 1.00 0.00 H new ATOM 0 HA THR A 76 -12.073 8.156 -3.992 1.00 0.00 H new ATOM 0 HB THR A 76 -14.213 6.017 -3.738 1.00 0.00 H new ATOM 0 HG1 THR A 76 -13.264 5.256 -5.517 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.510 7.662 -5.060 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.891 8.391 -3.559 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.093 8.737 -5.112 1.00 0.00 H new ATOM 1153 N GLU A 77 -13.495 8.418 -1.761 1.00 0.00 N ATOM 1154 CA GLU A 77 -13.843 8.651 -0.330 1.00 0.00 C ATOM 1155 C GLU A 77 -14.501 7.396 0.246 1.00 0.00 C ATOM 1156 O GLU A 77 -14.070 6.862 1.248 1.00 0.00 O ATOM 1157 CB GLU A 77 -14.814 9.829 -0.227 1.00 0.00 C ATOM 1158 CG GLU A 77 -14.052 11.139 -0.435 1.00 0.00 C ATOM 1159 CD GLU A 77 -15.045 12.299 -0.527 1.00 0.00 C ATOM 1160 OE1 GLU A 77 -16.125 12.089 -1.053 1.00 0.00 O ATOM 1161 OE2 GLU A 77 -14.709 13.379 -0.067 1.00 0.00 O ATOM 0 H GLU A 77 -13.876 9.099 -2.417 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.937 8.876 0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.601 9.731 -0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.299 9.829 0.749 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.359 11.304 0.390 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.455 11.084 -1.346 1.00 0.00 H new ATOM 1168 N GLY A 78 -15.542 6.920 -0.381 1.00 0.00 N ATOM 1169 CA GLY A 78 -16.226 5.699 0.131 1.00 0.00 C ATOM 1170 C GLY A 78 -16.814 4.913 -1.042 1.00 0.00 C ATOM 1171 O GLY A 78 -16.182 4.031 -1.589 1.00 0.00 O ATOM 0 H GLY A 78 -15.948 7.324 -1.225 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -15.520 5.077 0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -17.016 5.977 0.828 1.00 0.00 H new ATOM 1175 N GLY A 79 -18.019 5.224 -1.433 1.00 0.00 N ATOM 1176 CA GLY A 79 -18.647 4.493 -2.570 1.00 0.00 C ATOM 1177 C GLY A 79 -20.009 5.111 -2.886 1.00 0.00 C ATOM 1178 O GLY A 79 -20.047 6.294 -3.182 1.00 0.00 O ATOM 0 H GLY A 79 -18.596 5.953 -1.014 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -18.002 4.541 -3.447 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -18.764 3.439 -2.318 1.00 0.00 H new TER 1182 GLY A 79