USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 429 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -2:sc= 0.914 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00612 USER MOD Single : A 9 THR OG1 : rot 91:sc= 0.869 USER MOD Single : A 11 SER OG : rot 5:sc= 0.679! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 76:sc= 0.577 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 15:sc= -0.875 USER MOD Single : A 44 GLN : amide:sc= -0.369 K(o=-0.37,f=-2.7!) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.359) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.522 10.474 11.276 1.00 0.00 N ATOM 2 CA MET A 1 -22.213 9.072 11.670 1.00 0.00 C ATOM 3 C MET A 1 -20.721 8.813 11.489 1.00 0.00 C ATOM 4 O MET A 1 -20.023 8.458 12.438 1.00 0.00 O ATOM 5 CB MET A 1 -23.020 8.110 10.793 1.00 0.00 C ATOM 6 CG MET A 1 -23.355 6.850 11.592 1.00 0.00 C ATOM 7 SD MET A 1 -23.892 5.541 10.462 1.00 0.00 S ATOM 8 CE MET A 1 -24.174 4.264 11.710 1.00 0.00 C ATOM 0 H1 MET A 1 -23.539 10.653 11.399 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.980 11.130 11.874 1.00 0.00 H new ATOM 0 H3 MET A 1 -22.263 10.620 10.279 1.00 0.00 H new ATOM 0 HA MET A 1 -22.480 8.915 12.715 1.00 0.00 H new ATOM 0 HB2 MET A 1 -23.937 8.593 10.454 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.449 7.848 9.902 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.482 6.522 12.156 1.00 0.00 H new ATOM 0 HG3 MET A 1 -24.141 7.064 12.316 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.518 3.350 11.225 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.244 4.064 12.243 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.930 4.606 12.416 1.00 0.00 H new ATOM 20 N SER A 2 -20.237 8.997 10.264 1.00 0.00 N ATOM 21 CA SER A 2 -18.824 8.783 9.970 1.00 0.00 C ATOM 22 C SER A 2 -18.487 9.281 8.568 1.00 0.00 C ATOM 23 O SER A 2 -17.441 8.941 8.015 1.00 0.00 O ATOM 24 CB SER A 2 -18.486 7.296 10.076 1.00 0.00 C ATOM 25 OG SER A 2 -17.180 7.075 9.560 1.00 0.00 O ATOM 0 H SER A 2 -20.798 9.292 9.464 1.00 0.00 H new ATOM 0 HA SER A 2 -18.234 9.343 10.696 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.539 6.972 11.115 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.214 6.705 9.521 1.00 0.00 H new ATOM 0 HG SER A 2 -16.813 7.920 9.225 1.00 0.00 H new ATOM 31 N GLU A 3 -19.377 10.087 8.002 1.00 0.00 N ATOM 32 CA GLU A 3 -19.166 10.627 6.666 1.00 0.00 C ATOM 33 C GLU A 3 -19.769 12.024 6.557 1.00 0.00 C ATOM 34 O GLU A 3 -20.571 12.297 5.666 1.00 0.00 O ATOM 35 CB GLU A 3 -19.811 9.712 5.627 1.00 0.00 C ATOM 36 CG GLU A 3 -19.233 10.020 4.246 1.00 0.00 C ATOM 37 CD GLU A 3 -20.033 9.293 3.172 1.00 0.00 C ATOM 38 OE1 GLU A 3 -21.228 9.530 3.088 1.00 0.00 O ATOM 39 OE2 GLU A 3 -19.442 8.508 2.450 1.00 0.00 O ATOM 0 H GLU A 3 -20.248 10.380 8.445 1.00 0.00 H new ATOM 0 HA GLU A 3 -18.093 10.687 6.481 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -19.630 8.668 5.884 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -20.891 9.856 5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -19.257 11.094 4.064 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -18.188 9.713 4.203 1.00 0.00 H new ATOM 46 N PRO A 4 -19.391 12.905 7.447 1.00 0.00 N ATOM 47 CA PRO A 4 -19.898 14.311 7.461 1.00 0.00 C ATOM 48 C PRO A 4 -19.500 15.079 6.204 1.00 0.00 C ATOM 49 O PRO A 4 -18.349 15.018 5.769 1.00 0.00 O ATOM 50 CB PRO A 4 -19.246 14.928 8.703 1.00 0.00 C ATOM 51 CG PRO A 4 -18.066 14.062 9.004 1.00 0.00 C ATOM 52 CD PRO A 4 -18.441 12.659 8.542 1.00 0.00 C ATOM 0 HA PRO A 4 -20.987 14.348 7.485 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -18.940 15.957 8.516 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -19.942 14.950 9.542 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -17.178 14.419 8.483 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -17.837 14.073 10.070 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -17.569 12.102 8.200 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -18.895 12.079 9.345 1.00 0.00 H new ATOM 60 N ALA A 5 -20.459 15.802 5.631 1.00 0.00 N ATOM 61 CA ALA A 5 -20.202 16.581 4.425 1.00 0.00 C ATOM 62 C ALA A 5 -19.139 17.642 4.689 1.00 0.00 C ATOM 63 O ALA A 5 -18.713 18.355 3.781 1.00 0.00 O ATOM 64 CB ALA A 5 -21.496 17.250 3.950 1.00 0.00 C ATOM 0 H ALA A 5 -21.415 15.864 5.980 1.00 0.00 H new ATOM 0 HA ALA A 5 -19.838 15.908 3.649 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -21.296 17.830 3.049 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -22.242 16.486 3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -21.872 17.911 4.731 1.00 0.00 H new ATOM 70 N SER A 6 -18.718 17.738 5.941 1.00 0.00 N ATOM 71 CA SER A 6 -17.705 18.716 6.323 1.00 0.00 C ATOM 72 C SER A 6 -16.330 18.300 5.815 1.00 0.00 C ATOM 73 O SER A 6 -15.496 19.147 5.494 1.00 0.00 O ATOM 74 CB SER A 6 -17.664 18.859 7.844 1.00 0.00 C ATOM 75 OG SER A 6 -16.752 17.912 8.382 1.00 0.00 O ATOM 0 H SER A 6 -19.058 17.156 6.707 1.00 0.00 H new ATOM 0 HA SER A 6 -17.969 19.673 5.873 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.360 19.869 8.117 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.658 18.701 8.262 1.00 0.00 H new ATOM 0 HG SER A 6 -16.723 18.003 9.357 1.00 0.00 H new ATOM 81 N LEU A 7 -16.098 16.996 5.742 1.00 0.00 N ATOM 82 CA LEU A 7 -14.815 16.488 5.272 1.00 0.00 C ATOM 83 C LEU A 7 -14.462 17.094 3.919 1.00 0.00 C ATOM 84 O LEU A 7 -13.368 17.625 3.729 1.00 0.00 O ATOM 85 CB LEU A 7 -14.867 14.961 5.158 1.00 0.00 C ATOM 86 CG LEU A 7 -13.646 14.351 5.852 1.00 0.00 C ATOM 87 CD1 LEU A 7 -13.677 12.830 5.692 1.00 0.00 C ATOM 88 CD2 LEU A 7 -12.367 14.901 5.215 1.00 0.00 C ATOM 0 H LEU A 7 -16.774 16.277 5.999 1.00 0.00 H new ATOM 0 HA LEU A 7 -14.047 16.770 5.992 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -15.783 14.583 5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -14.887 14.665 4.109 1.00 0.00 H new ATOM 0 HG LEU A 7 -13.665 14.608 6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -12.808 12.394 6.186 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -14.587 12.435 6.144 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -13.658 12.575 4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -11.498 14.466 5.710 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -12.348 14.644 4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.343 15.985 5.325 1.00 0.00 H new ATOM 100 N LEU A 8 -15.396 17.014 2.979 1.00 0.00 N ATOM 101 CA LEU A 8 -15.170 17.561 1.650 1.00 0.00 C ATOM 102 C LEU A 8 -15.153 19.081 1.698 1.00 0.00 C ATOM 103 O LEU A 8 -14.326 19.724 1.050 1.00 0.00 O ATOM 104 CB LEU A 8 -16.268 17.087 0.694 1.00 0.00 C ATOM 105 CG LEU A 8 -16.221 15.562 0.568 1.00 0.00 C ATOM 106 CD1 LEU A 8 -17.458 14.954 1.235 1.00 0.00 C ATOM 107 CD2 LEU A 8 -16.200 15.176 -0.914 1.00 0.00 C ATOM 0 H LEU A 8 -16.309 16.579 3.112 1.00 0.00 H new ATOM 0 HA LEU A 8 -14.203 17.209 1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -17.245 17.401 1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -16.134 17.547 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 8 -15.323 15.184 1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -17.423 13.868 1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -17.476 15.230 2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -18.357 15.330 0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -16.166 14.090 -1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -17.099 15.554 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.320 15.608 -1.390 1.00 0.00 H new ATOM 119 N THR A 9 -16.065 19.648 2.472 1.00 0.00 N ATOM 120 CA THR A 9 -16.145 21.099 2.599 1.00 0.00 C ATOM 121 C THR A 9 -14.932 21.641 3.350 1.00 0.00 C ATOM 122 O THR A 9 -14.777 22.854 3.499 1.00 0.00 O ATOM 123 CB THR A 9 -17.425 21.492 3.341 1.00 0.00 C ATOM 124 OG1 THR A 9 -18.458 20.577 3.011 1.00 0.00 O ATOM 125 CG2 THR A 9 -17.844 22.905 2.930 1.00 0.00 C ATOM 0 H THR A 9 -16.756 19.133 3.018 1.00 0.00 H new ATOM 0 HA THR A 9 -16.160 21.530 1.598 1.00 0.00 H new ATOM 0 HB THR A 9 -17.244 21.468 4.416 1.00 0.00 H new ATOM 0 HG1 THR A 9 -18.457 19.837 3.654 1.00 0.00 H new ATOM 0 HG21 THR A 9 -18.755 23.183 3.459 1.00 0.00 H new ATOM 0 HG22 THR A 9 -17.050 23.608 3.182 1.00 0.00 H new ATOM 0 HG23 THR A 9 -18.026 22.933 1.856 1.00 0.00 H new ATOM 133 N ALA A 10 -14.077 20.738 3.816 1.00 0.00 N ATOM 134 CA ALA A 10 -12.881 21.139 4.554 1.00 0.00 C ATOM 135 C ALA A 10 -11.633 20.948 3.705 1.00 0.00 C ATOM 136 O ALA A 10 -10.701 21.753 3.753 1.00 0.00 O ATOM 137 CB ALA A 10 -12.762 20.319 5.842 1.00 0.00 C ATOM 0 H ALA A 10 -14.186 19.731 3.698 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.971 22.196 4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.868 20.624 6.386 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.641 20.489 6.464 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.692 19.260 5.594 1.00 0.00 H new ATOM 143 N SER A 11 -11.627 19.880 2.936 1.00 0.00 N ATOM 144 CA SER A 11 -10.492 19.572 2.068 1.00 0.00 C ATOM 145 C SER A 11 -10.655 20.241 0.709 1.00 0.00 C ATOM 146 O SER A 11 -9.787 20.134 -0.156 1.00 0.00 O ATOM 147 CB SER A 11 -10.355 18.059 1.885 1.00 0.00 C ATOM 148 OG SER A 11 -9.549 17.797 0.742 1.00 0.00 O ATOM 0 H SER A 11 -12.391 19.206 2.889 1.00 0.00 H new ATOM 0 HA SER A 11 -9.590 19.957 2.543 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.905 17.613 2.772 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.338 17.605 1.763 1.00 0.00 H new ATOM 0 HG SER A 11 -9.207 18.642 0.382 1.00 0.00 H new ATOM 154 N ASP A 12 -11.777 20.925 0.530 1.00 0.00 N ATOM 155 CA ASP A 12 -12.052 21.609 -0.729 1.00 0.00 C ATOM 156 C ASP A 12 -11.038 22.718 -0.977 1.00 0.00 C ATOM 157 O ASP A 12 -11.051 23.362 -2.026 1.00 0.00 O ATOM 158 CB ASP A 12 -13.463 22.203 -0.708 1.00 0.00 C ATOM 159 CG ASP A 12 -14.419 21.312 -1.492 1.00 0.00 C ATOM 160 OD1 ASP A 12 -14.078 20.939 -2.603 1.00 0.00 O ATOM 161 OD2 ASP A 12 -15.481 21.014 -0.970 1.00 0.00 O ATOM 0 H ASP A 12 -12.508 21.022 1.235 1.00 0.00 H new ATOM 0 HA ASP A 12 -11.976 20.879 -1.534 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.808 22.303 0.321 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -13.451 23.204 -1.139 1.00 0.00 H new ATOM 166 N LEU A 13 -10.162 22.930 0.000 1.00 0.00 N ATOM 167 CA LEU A 13 -9.135 23.964 -0.109 1.00 0.00 C ATOM 168 C LEU A 13 -7.743 23.365 0.070 1.00 0.00 C ATOM 169 O LEU A 13 -6.802 24.059 0.456 1.00 0.00 O ATOM 170 CB LEU A 13 -9.367 25.047 0.947 1.00 0.00 C ATOM 171 CG LEU A 13 -9.782 24.392 2.270 1.00 0.00 C ATOM 172 CD1 LEU A 13 -9.129 25.119 3.453 1.00 0.00 C ATOM 173 CD2 LEU A 13 -11.304 24.468 2.409 1.00 0.00 C ATOM 0 H LEU A 13 -10.141 22.403 0.873 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.200 24.406 -1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.459 25.632 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.142 25.737 0.612 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.456 23.352 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.433 24.643 4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.044 25.069 3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.445 26.162 3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.607 24.004 3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.618 25.512 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -11.772 23.942 1.577 1.00 0.00 H new ATOM 185 N ASP A 14 -7.619 22.076 -0.223 1.00 0.00 N ATOM 186 CA ASP A 14 -6.338 21.396 -0.105 1.00 0.00 C ATOM 187 C ASP A 14 -6.424 20.002 -0.727 1.00 0.00 C ATOM 188 O ASP A 14 -6.620 19.010 -0.025 1.00 0.00 O ATOM 189 CB ASP A 14 -5.946 21.282 1.370 1.00 0.00 C ATOM 190 CG ASP A 14 -4.444 21.054 1.496 1.00 0.00 C ATOM 191 OD1 ASP A 14 -3.996 19.976 1.143 1.00 0.00 O ATOM 192 OD2 ASP A 14 -3.762 21.963 1.942 1.00 0.00 O ATOM 0 H ASP A 14 -8.386 21.485 -0.542 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.580 21.974 -0.635 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.230 22.191 1.901 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.487 20.458 1.836 1.00 0.00 H new ATOM 197 N PRO A 15 -6.284 19.911 -2.028 1.00 0.00 N ATOM 198 CA PRO A 15 -6.347 18.615 -2.756 1.00 0.00 C ATOM 199 C PRO A 15 -5.028 17.850 -2.696 1.00 0.00 C ATOM 200 O PRO A 15 -4.925 16.729 -3.195 1.00 0.00 O ATOM 201 CB PRO A 15 -6.689 19.027 -4.188 1.00 0.00 C ATOM 202 CG PRO A 15 -6.186 20.427 -4.346 1.00 0.00 C ATOM 203 CD PRO A 15 -6.051 21.035 -2.947 1.00 0.00 C ATOM 0 HA PRO A 15 -7.076 17.932 -2.320 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.217 18.359 -4.909 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.764 18.977 -4.362 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.224 20.432 -4.859 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.875 21.014 -4.953 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.063 21.470 -2.798 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.777 21.832 -2.790 1.00 0.00 H new ATOM 211 N LEU A 16 -4.023 18.463 -2.085 1.00 0.00 N ATOM 212 CA LEU A 16 -2.717 17.829 -1.970 1.00 0.00 C ATOM 213 C LEU A 16 -2.803 16.588 -1.093 1.00 0.00 C ATOM 214 O LEU A 16 -2.130 15.589 -1.346 1.00 0.00 O ATOM 215 CB LEU A 16 -1.710 18.815 -1.374 1.00 0.00 C ATOM 216 CG LEU A 16 -1.479 19.969 -2.359 1.00 0.00 C ATOM 217 CD1 LEU A 16 -1.054 21.222 -1.590 1.00 0.00 C ATOM 218 CD2 LEU A 16 -0.379 19.592 -3.358 1.00 0.00 C ATOM 0 H LEU A 16 -4.086 19.390 -1.665 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.386 17.532 -2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.082 19.202 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.768 18.308 -1.165 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.405 20.165 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.890 22.041 -2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.837 21.499 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.131 21.020 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.221 20.416 -4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.547 19.389 -2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.680 18.703 -3.912 1.00 0.00 H new ATOM 230 N ILE A 17 -3.640 16.658 -0.062 1.00 0.00 N ATOM 231 CA ILE A 17 -3.812 15.535 0.848 1.00 0.00 C ATOM 232 C ILE A 17 -4.514 14.380 0.144 1.00 0.00 C ATOM 233 O ILE A 17 -4.220 13.213 0.401 1.00 0.00 O ATOM 234 CB ILE A 17 -4.630 15.971 2.067 1.00 0.00 C ATOM 235 CG1 ILE A 17 -3.771 16.867 2.964 1.00 0.00 C ATOM 236 CG2 ILE A 17 -5.070 14.738 2.856 1.00 0.00 C ATOM 237 CD1 ILE A 17 -4.651 17.934 3.618 1.00 0.00 C ATOM 0 H ILE A 17 -4.206 17.477 0.162 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.828 15.200 1.175 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.509 16.522 1.734 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.279 16.267 3.730 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.985 17.340 2.376 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.652 15.050 3.723 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.681 14.098 2.220 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.191 14.186 3.188 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.038 18.570 4.256 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.122 18.541 2.845 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.421 17.452 4.220 1.00 0.00 H new ATOM 249 N LEU A 18 -5.441 14.715 -0.745 1.00 0.00 N ATOM 250 CA LEU A 18 -6.178 13.696 -1.481 1.00 0.00 C ATOM 251 C LEU A 18 -5.245 12.909 -2.391 1.00 0.00 C ATOM 252 O LEU A 18 -5.354 11.689 -2.498 1.00 0.00 O ATOM 253 CB LEU A 18 -7.277 14.348 -2.322 1.00 0.00 C ATOM 254 CG LEU A 18 -8.575 14.413 -1.511 1.00 0.00 C ATOM 255 CD1 LEU A 18 -9.494 15.482 -2.108 1.00 0.00 C ATOM 256 CD2 LEU A 18 -9.285 13.054 -1.556 1.00 0.00 C ATOM 0 H LEU A 18 -5.699 15.675 -0.972 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.627 13.013 -0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.973 15.351 -2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.436 13.777 -3.237 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.340 14.664 -0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.418 15.530 -1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.995 16.451 -2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.724 15.228 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.207 13.106 -0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.519 12.800 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.634 12.289 -1.133 1.00 0.00 H new ATOM 268 N THR A 19 -4.329 13.614 -3.043 1.00 0.00 N ATOM 269 CA THR A 19 -3.383 12.970 -3.942 1.00 0.00 C ATOM 270 C THR A 19 -2.504 11.984 -3.178 1.00 0.00 C ATOM 271 O THR A 19 -2.320 10.844 -3.604 1.00 0.00 O ATOM 272 CB THR A 19 -2.505 14.027 -4.619 1.00 0.00 C ATOM 273 OG1 THR A 19 -3.250 14.674 -5.640 1.00 0.00 O ATOM 274 CG2 THR A 19 -1.273 13.359 -5.231 1.00 0.00 C ATOM 0 H THR A 19 -4.222 14.625 -2.966 1.00 0.00 H new ATOM 0 HA THR A 19 -3.943 12.424 -4.701 1.00 0.00 H new ATOM 0 HB THR A 19 -2.186 14.761 -3.879 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.691 15.352 -6.073 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.651 14.114 -5.712 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.701 12.863 -4.447 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.588 12.623 -5.971 1.00 0.00 H new ATOM 282 N LEU A 20 -1.967 12.425 -2.047 1.00 0.00 N ATOM 283 CA LEU A 20 -1.115 11.567 -1.237 1.00 0.00 C ATOM 284 C LEU A 20 -1.901 10.364 -0.732 1.00 0.00 C ATOM 285 O LEU A 20 -1.370 9.257 -0.641 1.00 0.00 O ATOM 286 CB LEU A 20 -0.550 12.353 -0.054 1.00 0.00 C ATOM 287 CG LEU A 20 0.503 13.344 -0.557 1.00 0.00 C ATOM 288 CD1 LEU A 20 0.521 14.577 0.348 1.00 0.00 C ATOM 289 CD2 LEU A 20 1.883 12.679 -0.533 1.00 0.00 C ATOM 0 H LEU A 20 -2.105 13.364 -1.673 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.290 11.213 -1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.351 12.886 0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.106 11.671 0.671 1.00 0.00 H new ATOM 0 HG LEU A 20 0.258 13.644 -1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.271 15.281 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.460 15.053 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.764 14.277 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.633 13.384 -0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.125 12.379 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.875 11.800 -1.178 1.00 0.00 H new ATOM 301 N SER A 21 -3.171 10.589 -0.408 1.00 0.00 N ATOM 302 CA SER A 21 -4.024 9.514 0.082 1.00 0.00 C ATOM 303 C SER A 21 -4.333 8.527 -1.038 1.00 0.00 C ATOM 304 O SER A 21 -4.113 7.324 -0.898 1.00 0.00 O ATOM 305 CB SER A 21 -5.331 10.090 0.628 1.00 0.00 C ATOM 306 OG SER A 21 -6.312 9.062 0.681 1.00 0.00 O ATOM 0 H SER A 21 -3.628 11.498 -0.475 1.00 0.00 H new ATOM 0 HA SER A 21 -3.496 8.992 0.880 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.171 10.507 1.622 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.676 10.905 -0.008 1.00 0.00 H new ATOM 0 HG SER A 21 -7.151 9.428 1.032 1.00 0.00 H new ATOM 312 N LEU A 22 -4.840 9.048 -2.151 1.00 0.00 N ATOM 313 CA LEU A 22 -5.175 8.200 -3.289 1.00 0.00 C ATOM 314 C LEU A 22 -3.971 7.368 -3.711 1.00 0.00 C ATOM 315 O LEU A 22 -4.119 6.229 -4.151 1.00 0.00 O ATOM 316 CB LEU A 22 -5.638 9.055 -4.472 1.00 0.00 C ATOM 317 CG LEU A 22 -7.108 8.758 -4.783 1.00 0.00 C ATOM 318 CD1 LEU A 22 -7.991 9.214 -3.617 1.00 0.00 C ATOM 319 CD2 LEU A 22 -7.518 9.505 -6.054 1.00 0.00 C ATOM 0 H LEU A 22 -5.026 10.041 -2.289 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.982 7.533 -2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.512 10.112 -4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.022 8.846 -5.347 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.234 7.685 -4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.035 8.999 -3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.701 8.682 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.866 10.286 -3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.564 9.295 -6.278 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.387 10.577 -5.905 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.896 9.176 -6.886 1.00 0.00 H new ATOM 331 N ILE A 23 -2.781 7.943 -3.578 1.00 0.00 N ATOM 332 CA ILE A 23 -1.562 7.239 -3.955 1.00 0.00 C ATOM 333 C ILE A 23 -1.353 6.011 -3.075 1.00 0.00 C ATOM 334 O ILE A 23 -1.331 4.881 -3.565 1.00 0.00 O ATOM 335 CB ILE A 23 -0.361 8.182 -3.819 1.00 0.00 C ATOM 336 CG1 ILE A 23 -0.200 8.990 -5.106 1.00 0.00 C ATOM 337 CG2 ILE A 23 0.914 7.373 -3.567 1.00 0.00 C ATOM 338 CD1 ILE A 23 0.716 10.187 -4.848 1.00 0.00 C ATOM 0 H ILE A 23 -2.635 8.885 -3.216 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.656 6.911 -4.990 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.531 8.856 -2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.219 8.362 -5.892 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.174 9.333 -5.456 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.762 8.051 -3.472 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.804 6.798 -2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.085 6.693 -4.402 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.830 10.763 -5.767 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.279 10.820 -4.075 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.693 9.833 -4.518 1.00 0.00 H new ATOM 350 N LEU A 24 -1.192 6.237 -1.775 1.00 0.00 N ATOM 351 CA LEU A 24 -0.979 5.140 -0.844 1.00 0.00 C ATOM 352 C LEU A 24 -2.111 4.136 -0.948 1.00 0.00 C ATOM 353 O LEU A 24 -1.922 2.948 -0.697 1.00 0.00 O ATOM 354 CB LEU A 24 -0.899 5.680 0.585 1.00 0.00 C ATOM 355 CG LEU A 24 0.541 6.106 0.901 1.00 0.00 C ATOM 356 CD1 LEU A 24 0.552 7.120 2.052 1.00 0.00 C ATOM 357 CD2 LEU A 24 1.362 4.879 1.310 1.00 0.00 C ATOM 0 H LEU A 24 -1.205 7.163 -1.347 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.042 4.644 -1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.573 6.529 0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.225 4.916 1.291 1.00 0.00 H new ATOM 0 HG LEU A 24 0.974 6.564 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.579 7.415 2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.026 7.999 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.111 6.667 2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.384 5.183 1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.917 4.422 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.369 4.157 0.493 1.00 0.00 H new ATOM 369 N VAL A 25 -3.285 4.621 -1.321 1.00 0.00 N ATOM 370 CA VAL A 25 -4.447 3.752 -1.452 1.00 0.00 C ATOM 371 C VAL A 25 -4.302 2.841 -2.665 1.00 0.00 C ATOM 372 O VAL A 25 -4.422 1.623 -2.548 1.00 0.00 O ATOM 373 CB VAL A 25 -5.715 4.594 -1.601 1.00 0.00 C ATOM 374 CG1 VAL A 25 -6.871 3.701 -2.053 1.00 0.00 C ATOM 375 CG2 VAL A 25 -6.062 5.238 -0.259 1.00 0.00 C ATOM 0 H VAL A 25 -3.459 5.603 -1.537 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.518 3.138 -0.554 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.547 5.374 -2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.775 4.301 -2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.624 3.244 -3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.039 2.920 -1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.966 5.838 -0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.229 4.460 0.486 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.239 5.876 0.062 1.00 0.00 H new ATOM 385 N LEU A 26 -4.041 3.440 -3.822 1.00 0.00 N ATOM 386 CA LEU A 26 -3.883 2.675 -5.054 1.00 0.00 C ATOM 387 C LEU A 26 -2.803 1.612 -4.891 1.00 0.00 C ATOM 388 O LEU A 26 -2.948 0.489 -5.368 1.00 0.00 O ATOM 389 CB LEU A 26 -3.511 3.610 -6.205 1.00 0.00 C ATOM 390 CG LEU A 26 -4.713 3.781 -7.135 1.00 0.00 C ATOM 391 CD1 LEU A 26 -4.429 4.899 -8.139 1.00 0.00 C ATOM 392 CD2 LEU A 26 -4.974 2.473 -7.888 1.00 0.00 C ATOM 0 H LEU A 26 -3.935 4.448 -3.933 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.830 2.183 -5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.200 4.579 -5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.665 3.203 -6.759 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.591 4.038 -6.543 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.286 5.020 -8.801 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.249 5.832 -7.604 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.548 4.644 -8.728 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.831 2.599 -8.550 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.096 2.211 -8.478 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.181 1.677 -7.173 1.00 0.00 H new ATOM 404 N ILE A 27 -1.723 1.977 -4.210 1.00 0.00 N ATOM 405 CA ILE A 27 -0.621 1.046 -3.988 1.00 0.00 C ATOM 406 C ILE A 27 -0.995 0.009 -2.937 1.00 0.00 C ATOM 407 O ILE A 27 -0.843 -1.192 -3.159 1.00 0.00 O ATOM 408 CB ILE A 27 0.622 1.811 -3.533 1.00 0.00 C ATOM 409 CG1 ILE A 27 1.189 2.606 -4.713 1.00 0.00 C ATOM 410 CG2 ILE A 27 1.676 0.822 -3.033 1.00 0.00 C ATOM 411 CD1 ILE A 27 2.141 3.686 -4.196 1.00 0.00 C ATOM 0 H ILE A 27 -1.586 2.903 -3.805 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.410 0.532 -4.926 1.00 0.00 H new ATOM 0 HB ILE A 27 0.354 2.494 -2.727 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.716 1.938 -5.394 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.378 3.063 -5.279 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.562 1.368 -2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.273 0.254 -2.195 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.945 0.139 -3.839 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.543 4.250 -5.038 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.600 4.361 -3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.959 3.218 -3.649 1.00 0.00 H new ATOM 423 N SER A 28 -1.479 0.477 -1.792 1.00 0.00 N ATOM 424 CA SER A 28 -1.866 -0.427 -0.715 1.00 0.00 C ATOM 425 C SER A 28 -2.831 -1.489 -1.225 1.00 0.00 C ATOM 426 O SER A 28 -2.745 -2.655 -0.844 1.00 0.00 O ATOM 427 CB SER A 28 -2.523 0.361 0.416 1.00 0.00 C ATOM 428 OG SER A 28 -2.914 -0.535 1.447 1.00 0.00 O ATOM 0 H SER A 28 -1.612 1.467 -1.586 1.00 0.00 H new ATOM 0 HA SER A 28 -0.969 -0.920 -0.341 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.829 1.104 0.808 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.391 0.903 0.041 1.00 0.00 H new ATOM 0 HG SER A 28 -3.335 -0.032 2.175 1.00 0.00 H new ATOM 434 N LEU A 29 -3.748 -1.074 -2.089 1.00 0.00 N ATOM 435 CA LEU A 29 -4.733 -1.997 -2.642 1.00 0.00 C ATOM 436 C LEU A 29 -4.058 -3.045 -3.517 1.00 0.00 C ATOM 437 O LEU A 29 -4.312 -4.241 -3.376 1.00 0.00 O ATOM 438 CB LEU A 29 -5.768 -1.225 -3.471 1.00 0.00 C ATOM 439 CG LEU A 29 -7.126 -1.237 -2.759 1.00 0.00 C ATOM 440 CD1 LEU A 29 -7.656 -2.673 -2.667 1.00 0.00 C ATOM 441 CD2 LEU A 29 -6.969 -0.655 -1.351 1.00 0.00 C ATOM 0 H LEU A 29 -3.831 -0.113 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.232 -2.501 -1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.435 -0.198 -3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.863 -1.674 -4.460 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.834 -0.633 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.621 -2.673 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.773 -3.083 -3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.951 -3.286 -2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.934 -0.663 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.257 -1.257 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.604 0.370 -1.420 1.00 0.00 H new ATOM 453 N LEU A 30 -3.199 -2.595 -4.420 1.00 0.00 N ATOM 454 CA LEU A 30 -2.502 -3.512 -5.309 1.00 0.00 C ATOM 455 C LEU A 30 -1.619 -4.465 -4.511 1.00 0.00 C ATOM 456 O LEU A 30 -1.531 -5.653 -4.824 1.00 0.00 O ATOM 457 CB LEU A 30 -1.645 -2.722 -6.297 1.00 0.00 C ATOM 458 CG LEU A 30 -1.161 -3.650 -7.413 1.00 0.00 C ATOM 459 CD1 LEU A 30 -1.900 -3.324 -8.714 1.00 0.00 C ATOM 460 CD2 LEU A 30 0.342 -3.455 -7.620 1.00 0.00 C ATOM 0 H LEU A 30 -2.970 -1.610 -4.556 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.242 -4.097 -5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.223 -1.900 -6.719 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.792 -2.280 -5.782 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.362 -4.684 -7.134 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.552 -3.987 -9.506 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.971 -3.463 -8.569 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.703 -2.289 -8.995 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.689 -4.116 -8.415 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.540 -2.419 -7.897 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.870 -3.691 -6.696 1.00 0.00 H new ATOM 472 N LEU A 31 -0.964 -3.939 -3.479 1.00 0.00 N ATOM 473 CA LEU A 31 -0.089 -4.754 -2.649 1.00 0.00 C ATOM 474 C LEU A 31 -0.869 -5.896 -2.009 1.00 0.00 C ATOM 475 O LEU A 31 -0.402 -7.033 -1.970 1.00 0.00 O ATOM 476 CB LEU A 31 0.542 -3.886 -1.560 1.00 0.00 C ATOM 477 CG LEU A 31 1.409 -4.756 -0.649 1.00 0.00 C ATOM 478 CD1 LEU A 31 2.771 -4.090 -0.440 1.00 0.00 C ATOM 479 CD2 LEU A 31 0.710 -4.921 0.700 1.00 0.00 C ATOM 0 H LEU A 31 -1.023 -2.959 -3.201 1.00 0.00 H new ATOM 0 HA LEU A 31 0.694 -5.177 -3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.147 -3.100 -2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.236 -3.394 -0.977 1.00 0.00 H new ATOM 0 HG LEU A 31 1.555 -5.733 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.385 -4.714 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.268 -3.969 -1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.631 -3.113 0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.323 -5.541 1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.566 -3.942 1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.259 -5.398 0.552 1.00 0.00 H new ATOM 491 N THR A 32 -2.056 -5.585 -1.503 1.00 0.00 N ATOM 492 CA THR A 32 -2.886 -6.597 -0.863 1.00 0.00 C ATOM 493 C THR A 32 -3.408 -7.589 -1.895 1.00 0.00 C ATOM 494 O THR A 32 -3.444 -8.795 -1.650 1.00 0.00 O ATOM 495 CB THR A 32 -4.063 -5.929 -0.146 1.00 0.00 C ATOM 496 OG1 THR A 32 -3.569 -4.978 0.785 1.00 0.00 O ATOM 497 CG2 THR A 32 -4.891 -6.986 0.592 1.00 0.00 C ATOM 0 H THR A 32 -2.462 -4.650 -1.523 1.00 0.00 H new ATOM 0 HA THR A 32 -2.279 -7.135 -0.135 1.00 0.00 H new ATOM 0 HB THR A 32 -4.695 -5.429 -0.880 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.274 -4.175 0.307 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.727 -6.504 1.100 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.272 -7.714 -0.124 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.264 -7.492 1.326 1.00 0.00 H new ATOM 505 N VAL A 33 -3.813 -7.076 -3.051 1.00 0.00 N ATOM 506 CA VAL A 33 -4.334 -7.929 -4.113 1.00 0.00 C ATOM 507 C VAL A 33 -3.310 -8.992 -4.496 1.00 0.00 C ATOM 508 O VAL A 33 -3.654 -10.154 -4.704 1.00 0.00 O ATOM 509 CB VAL A 33 -4.678 -7.085 -5.341 1.00 0.00 C ATOM 510 CG1 VAL A 33 -4.814 -7.994 -6.564 1.00 0.00 C ATOM 511 CG2 VAL A 33 -5.999 -6.353 -5.101 1.00 0.00 C ATOM 0 H VAL A 33 -3.791 -6.081 -3.276 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.235 -8.422 -3.748 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.885 -6.358 -5.516 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.059 -7.392 -7.439 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.873 -8.517 -6.735 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.607 -8.722 -6.390 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.245 -5.751 -5.976 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.792 -7.081 -4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.903 -5.705 -4.230 1.00 0.00 H new ATOM 521 N LEU A 34 -2.050 -8.588 -4.590 1.00 0.00 N ATOM 522 CA LEU A 34 -0.988 -9.516 -4.953 1.00 0.00 C ATOM 523 C LEU A 34 -0.797 -10.580 -3.878 1.00 0.00 C ATOM 524 O LEU A 34 -0.772 -11.774 -4.170 1.00 0.00 O ATOM 525 CB LEU A 34 0.314 -8.752 -5.118 1.00 0.00 C ATOM 526 CG LEU A 34 0.223 -7.831 -6.345 1.00 0.00 C ATOM 527 CD1 LEU A 34 1.184 -6.649 -6.182 1.00 0.00 C ATOM 528 CD2 LEU A 34 0.594 -8.605 -7.619 1.00 0.00 C ATOM 0 H LEU A 34 -1.740 -7.631 -4.421 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.268 -10.004 -5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.517 -8.163 -4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.144 -9.449 -5.236 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.800 -7.465 -6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.114 -6.000 -7.055 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.918 -6.084 -5.288 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.204 -7.020 -6.086 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.526 -7.941 -8.481 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.613 -8.982 -7.532 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.093 -9.441 -7.750 1.00 0.00 H new ATOM 540 N ALA A 35 -0.656 -10.135 -2.632 1.00 0.00 N ATOM 541 CA ALA A 35 -0.462 -11.060 -1.524 1.00 0.00 C ATOM 542 C ALA A 35 -1.618 -12.046 -1.462 1.00 0.00 C ATOM 543 O ALA A 35 -1.442 -13.211 -1.109 1.00 0.00 O ATOM 544 CB ALA A 35 -0.373 -10.287 -0.205 1.00 0.00 C ATOM 0 H ALA A 35 -0.672 -9.150 -2.368 1.00 0.00 H new ATOM 0 HA ALA A 35 0.468 -11.607 -1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.228 -10.987 0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.468 -9.595 -0.245 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.296 -9.728 -0.048 1.00 0.00 H new ATOM 550 N LEU A 36 -2.801 -11.565 -1.814 1.00 0.00 N ATOM 551 CA LEU A 36 -3.989 -12.416 -1.796 1.00 0.00 C ATOM 552 C LEU A 36 -3.959 -13.411 -2.951 1.00 0.00 C ATOM 553 O LEU A 36 -4.259 -14.593 -2.777 1.00 0.00 O ATOM 554 CB LEU A 36 -5.260 -11.562 -1.873 1.00 0.00 C ATOM 555 CG LEU A 36 -5.891 -11.439 -0.476 1.00 0.00 C ATOM 556 CD1 LEU A 36 -6.413 -12.804 0.003 1.00 0.00 C ATOM 557 CD2 LEU A 36 -4.835 -10.928 0.508 1.00 0.00 C ATOM 0 H LEU A 36 -2.967 -10.604 -2.112 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.993 -12.972 -0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.021 -10.572 -2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.971 -12.014 -2.565 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.727 -10.742 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.856 -12.697 0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.167 -13.170 -0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.587 -13.513 0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.276 -10.838 1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.001 -11.629 0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.475 -9.952 0.181 1.00 0.00 H new ATOM 569 N LEU A 37 -3.594 -12.924 -4.128 1.00 0.00 N ATOM 570 CA LEU A 37 -3.526 -13.776 -5.305 1.00 0.00 C ATOM 571 C LEU A 37 -2.451 -14.841 -5.133 1.00 0.00 C ATOM 572 O LEU A 37 -2.656 -16.005 -5.482 1.00 0.00 O ATOM 573 CB LEU A 37 -3.216 -12.925 -6.538 1.00 0.00 C ATOM 574 CG LEU A 37 -4.064 -13.401 -7.721 1.00 0.00 C ATOM 575 CD1 LEU A 37 -3.750 -12.552 -8.954 1.00 0.00 C ATOM 576 CD2 LEU A 37 -3.745 -14.869 -8.019 1.00 0.00 C ATOM 0 H LEU A 37 -3.342 -11.949 -4.293 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.489 -14.271 -5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.423 -11.876 -6.329 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.157 -12.998 -6.785 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.120 -13.300 -7.472 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.355 -12.893 -9.794 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.977 -11.507 -8.744 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.694 -12.650 -9.204 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.348 -15.209 -8.861 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.688 -14.969 -8.266 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.971 -15.476 -7.142 1.00 0.00 H new ATOM 588 N SER A 38 -1.307 -14.439 -4.592 1.00 0.00 N ATOM 589 CA SER A 38 -0.207 -15.368 -4.375 1.00 0.00 C ATOM 590 C SER A 38 -0.641 -16.496 -3.444 1.00 0.00 C ATOM 591 O SER A 38 -0.359 -17.667 -3.701 1.00 0.00 O ATOM 592 CB SER A 38 0.990 -14.632 -3.770 1.00 0.00 C ATOM 593 OG SER A 38 1.967 -15.579 -3.358 1.00 0.00 O ATOM 0 H SER A 38 -1.118 -13.481 -4.297 1.00 0.00 H new ATOM 0 HA SER A 38 0.082 -15.794 -5.336 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.418 -13.947 -4.502 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.669 -14.030 -2.920 1.00 0.00 H new ATOM 0 HG SER A 38 2.735 -15.109 -2.972 1.00 0.00 H new ATOM 599 N HIS A 39 -1.328 -16.135 -2.365 1.00 0.00 N ATOM 600 CA HIS A 39 -1.799 -17.126 -1.406 1.00 0.00 C ATOM 601 C HIS A 39 -2.797 -18.073 -2.066 1.00 0.00 C ATOM 602 O HIS A 39 -2.823 -19.267 -1.768 1.00 0.00 O ATOM 603 CB HIS A 39 -2.463 -16.429 -0.218 1.00 0.00 C ATOM 604 CG HIS A 39 -1.678 -16.714 1.034 1.00 0.00 C ATOM 605 ND1 HIS A 39 -1.748 -17.933 1.689 1.00 0.00 N ATOM 606 CD2 HIS A 39 -0.803 -15.948 1.763 1.00 0.00 C ATOM 607 CE1 HIS A 39 -0.936 -17.866 2.760 1.00 0.00 C ATOM 608 NE2 HIS A 39 -0.336 -16.677 2.853 1.00 0.00 N ATOM 0 H HIS A 39 -1.569 -15.171 -2.134 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.943 -17.702 -1.055 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -2.511 -15.354 -0.393 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.489 -16.779 -0.104 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -0.520 -14.933 1.527 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -0.788 -18.676 3.459 1.00 0.00 H new ATOM 0 HE2 HIS A 39 0.323 -16.369 3.568 1.00 0.00 H new ATOM 616 N ARG A 40 -3.616 -17.529 -2.959 1.00 0.00 N ATOM 617 CA ARG A 40 -4.614 -18.330 -3.656 1.00 0.00 C ATOM 618 C ARG A 40 -3.942 -19.353 -4.568 1.00 0.00 C ATOM 619 O ARG A 40 -4.303 -20.530 -4.564 1.00 0.00 O ATOM 620 CB ARG A 40 -5.524 -17.425 -4.490 1.00 0.00 C ATOM 621 CG ARG A 40 -6.908 -18.066 -4.611 1.00 0.00 C ATOM 622 CD ARG A 40 -7.787 -17.213 -5.528 1.00 0.00 C ATOM 623 NE ARG A 40 -8.225 -16.009 -4.832 1.00 0.00 N ATOM 624 CZ ARG A 40 -9.241 -16.040 -3.974 1.00 0.00 C ATOM 625 NH1 ARG A 40 -9.864 -17.163 -3.744 1.00 0.00 N ATOM 626 NH2 ARG A 40 -9.613 -14.950 -3.363 1.00 0.00 N ATOM 0 H ARG A 40 -3.609 -16.542 -3.216 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.209 -18.858 -2.911 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.606 -16.444 -4.023 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.094 -17.272 -5.480 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.819 -19.076 -5.011 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.368 -18.153 -3.626 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.231 -16.941 -6.425 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.653 -17.790 -5.852 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.744 -15.127 -5.006 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.572 -18.015 -4.222 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.643 -17.188 -3.086 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.125 -14.073 -3.543 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.392 -14.975 -2.705 1.00 0.00 H new ATOM 640 N ARG A 41 -2.968 -18.894 -5.348 1.00 0.00 N ATOM 641 CA ARG A 41 -2.255 -19.779 -6.262 1.00 0.00 C ATOM 642 C ARG A 41 -1.606 -20.927 -5.495 1.00 0.00 C ATOM 643 O ARG A 41 -1.622 -22.073 -5.944 1.00 0.00 O ATOM 644 CB ARG A 41 -1.180 -18.993 -7.018 1.00 0.00 C ATOM 645 CG ARG A 41 -0.411 -19.938 -7.944 1.00 0.00 C ATOM 646 CD ARG A 41 0.334 -19.123 -9.003 1.00 0.00 C ATOM 647 NE ARG A 41 0.538 -17.757 -8.535 1.00 0.00 N ATOM 648 CZ ARG A 41 1.239 -16.883 -9.250 1.00 0.00 C ATOM 649 NH1 ARG A 41 1.760 -17.244 -10.391 1.00 0.00 N ATOM 650 NH2 ARG A 41 1.408 -15.666 -8.811 1.00 0.00 N ATOM 0 H ARG A 41 -2.657 -17.923 -5.366 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.970 -20.191 -6.974 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.640 -18.193 -7.598 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.496 -18.522 -6.313 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.295 -20.535 -7.367 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.099 -20.634 -8.424 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.295 -19.588 -9.221 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.234 -19.116 -9.933 1.00 0.00 H new ATOM 0 HE ARG A 41 0.136 -17.467 -7.644 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.629 -18.196 -10.733 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.298 -16.574 -10.941 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.002 -15.385 -7.919 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.946 -14.996 -9.360 1.00 0.00 H new ATOM 664 N THR A 42 -1.039 -20.610 -4.334 1.00 0.00 N ATOM 665 CA THR A 42 -0.388 -21.624 -3.513 1.00 0.00 C ATOM 666 C THR A 42 -1.403 -22.645 -3.012 1.00 0.00 C ATOM 667 O THR A 42 -1.191 -23.853 -3.123 1.00 0.00 O ATOM 668 CB THR A 42 0.302 -20.964 -2.318 1.00 0.00 C ATOM 669 OG1 THR A 42 -0.571 -20.003 -1.741 1.00 0.00 O ATOM 670 CG2 THR A 42 1.586 -20.276 -2.783 1.00 0.00 C ATOM 0 H THR A 42 -1.017 -19.668 -3.944 1.00 0.00 H new ATOM 0 HA THR A 42 0.353 -22.136 -4.126 1.00 0.00 H new ATOM 0 HB THR A 42 0.549 -21.723 -1.576 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.482 -20.148 -2.073 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.076 -19.806 -1.930 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.255 -21.014 -3.225 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.343 -19.516 -3.526 1.00 0.00 H new ATOM 678 N LEU A 43 -2.506 -22.151 -2.461 1.00 0.00 N ATOM 679 CA LEU A 43 -3.549 -23.029 -1.944 1.00 0.00 C ATOM 680 C LEU A 43 -4.042 -23.977 -3.031 1.00 0.00 C ATOM 681 O LEU A 43 -4.159 -25.183 -2.812 1.00 0.00 O ATOM 682 CB LEU A 43 -4.724 -22.197 -1.423 1.00 0.00 C ATOM 683 CG LEU A 43 -4.927 -22.467 0.069 1.00 0.00 C ATOM 684 CD1 LEU A 43 -6.001 -21.524 0.618 1.00 0.00 C ATOM 685 CD2 LEU A 43 -5.376 -23.917 0.269 1.00 0.00 C ATOM 0 H LEU A 43 -2.700 -21.155 -2.361 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.128 -23.616 -1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.532 -21.137 -1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.631 -22.446 -1.974 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.989 -22.299 0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.145 -21.717 1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.685 -20.491 0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.939 -21.693 0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.521 -24.110 1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.314 -24.084 -0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.614 -24.591 -0.121 1.00 0.00 H new ATOM 697 N GLN A 44 -4.330 -23.427 -4.205 1.00 0.00 N ATOM 698 CA GLN A 44 -4.807 -24.240 -5.315 1.00 0.00 C ATOM 699 C GLN A 44 -3.826 -25.368 -5.611 1.00 0.00 C ATOM 700 O GLN A 44 -4.222 -26.515 -5.808 1.00 0.00 O ATOM 701 CB GLN A 44 -4.991 -23.367 -6.560 1.00 0.00 C ATOM 702 CG GLN A 44 -6.389 -22.747 -6.550 1.00 0.00 C ATOM 703 CD GLN A 44 -7.437 -23.811 -6.865 1.00 0.00 C ATOM 704 OE1 GLN A 44 -7.916 -24.497 -5.963 1.00 0.00 O ATOM 705 NE2 GLN A 44 -7.820 -23.991 -8.100 1.00 0.00 N ATOM 0 H GLN A 44 -4.243 -22.432 -4.411 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.766 -24.677 -5.039 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.234 -22.583 -6.581 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.854 -23.966 -7.460 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.592 -22.303 -5.575 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.444 -21.943 -7.284 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.421 -23.421 -8.846 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.518 -24.702 -8.319 1.00 0.00 H new ATOM 714 N GLN A 45 -2.539 -25.034 -5.640 1.00 0.00 N ATOM 715 CA GLN A 45 -1.512 -26.032 -5.910 1.00 0.00 C ATOM 716 C GLN A 45 -1.571 -27.153 -4.878 1.00 0.00 C ATOM 717 O GLN A 45 -1.582 -28.333 -5.228 1.00 0.00 O ATOM 718 CB GLN A 45 -0.130 -25.378 -5.876 1.00 0.00 C ATOM 719 CG GLN A 45 0.856 -26.222 -6.684 1.00 0.00 C ATOM 720 CD GLN A 45 2.271 -25.684 -6.503 1.00 0.00 C ATOM 721 OE1 GLN A 45 2.453 -24.543 -6.076 1.00 0.00 O ATOM 722 NE2 GLN A 45 3.291 -26.441 -6.803 1.00 0.00 N ATOM 0 H GLN A 45 -2.186 -24.090 -5.482 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.691 -26.454 -6.899 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.183 -24.370 -6.287 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.214 -25.285 -4.846 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.809 -27.262 -6.360 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.583 -26.204 -7.739 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.139 -27.386 -7.156 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.241 -26.088 -6.684 1.00 0.00 H new ATOM 731 N LYS A 46 -1.612 -26.772 -3.606 1.00 0.00 N ATOM 732 CA LYS A 46 -1.671 -27.752 -2.528 1.00 0.00 C ATOM 733 C LYS A 46 -2.893 -28.647 -2.685 1.00 0.00 C ATOM 734 O LYS A 46 -2.834 -29.848 -2.423 1.00 0.00 O ATOM 735 CB LYS A 46 -1.727 -27.039 -1.173 1.00 0.00 C ATOM 736 CG LYS A 46 -0.388 -26.350 -0.905 1.00 0.00 C ATOM 737 CD LYS A 46 -0.496 -25.497 0.361 1.00 0.00 C ATOM 738 CE LYS A 46 0.867 -25.433 1.052 1.00 0.00 C ATOM 739 NZ LYS A 46 1.902 -25.004 0.071 1.00 0.00 N ATOM 0 H LYS A 46 -1.606 -25.800 -3.298 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.774 -28.370 -2.575 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.533 -26.305 -1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.944 -27.756 -0.381 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.399 -27.095 -0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.112 -25.725 -1.755 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.834 -24.492 0.107 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.238 -25.922 1.036 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.831 -24.734 1.887 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.124 -26.409 1.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.751 -24.684 0.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.149 -25.804 -0.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.530 -24.224 -0.507 1.00 0.00 H new ATOM 753 N ILE A 47 -4.002 -28.054 -3.112 1.00 0.00 N ATOM 754 CA ILE A 47 -5.232 -28.811 -3.298 1.00 0.00 C ATOM 755 C ILE A 47 -5.135 -29.686 -4.540 1.00 0.00 C ATOM 756 O ILE A 47 -5.623 -30.815 -4.554 1.00 0.00 O ATOM 757 CB ILE A 47 -6.422 -27.857 -3.438 1.00 0.00 C ATOM 758 CG1 ILE A 47 -6.552 -27.002 -2.170 1.00 0.00 C ATOM 759 CG2 ILE A 47 -7.710 -28.656 -3.658 1.00 0.00 C ATOM 760 CD1 ILE A 47 -7.394 -27.730 -1.117 1.00 0.00 C ATOM 0 H ILE A 47 -4.074 -27.061 -3.334 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.379 -29.447 -2.425 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.257 -27.206 -4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.563 -26.785 -1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.013 -26.045 -2.415 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.551 -27.970 -3.757 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.618 -29.251 -4.567 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.878 -29.317 -2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.476 -27.110 -0.224 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.389 -27.924 -1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.916 -28.675 -0.859 1.00 0.00 H new ATOM 772 N TRP A 48 -4.504 -29.160 -5.580 1.00 0.00 N ATOM 773 CA TRP A 48 -4.356 -29.911 -6.819 1.00 0.00 C ATOM 774 C TRP A 48 -3.441 -31.120 -6.607 1.00 0.00 C ATOM 775 O TRP A 48 -2.659 -31.154 -5.656 1.00 0.00 O ATOM 776 CB TRP A 48 -3.775 -29.009 -7.910 1.00 0.00 C ATOM 777 CG TRP A 48 -4.834 -28.702 -8.922 1.00 0.00 C ATOM 778 CD1 TRP A 48 -4.746 -28.973 -10.245 1.00 0.00 C ATOM 779 CD2 TRP A 48 -6.134 -28.078 -8.717 1.00 0.00 C ATOM 780 NE1 TRP A 48 -5.911 -28.554 -10.865 1.00 0.00 N ATOM 781 CE2 TRP A 48 -6.796 -27.996 -9.966 1.00 0.00 C ATOM 782 CE3 TRP A 48 -6.797 -27.579 -7.581 1.00 0.00 C ATOM 783 CZ2 TRP A 48 -8.070 -27.439 -10.083 1.00 0.00 C ATOM 784 CZ3 TRP A 48 -8.080 -27.018 -7.695 1.00 0.00 C ATOM 785 CH2 TRP A 48 -8.715 -26.949 -8.943 1.00 0.00 C ATOM 0 H TRP A 48 -4.091 -28.228 -5.592 1.00 0.00 H new ATOM 0 HA TRP A 48 -5.339 -30.265 -7.129 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.399 -28.085 -7.470 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.929 -29.501 -8.391 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.905 -29.440 -10.737 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.093 -28.647 -11.864 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -6.317 -27.627 -6.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -8.554 -27.387 -11.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -8.580 -26.638 -6.816 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -9.702 -26.518 -9.024 1.00 0.00 H new ATOM 796 N PRO A 49 -3.525 -32.105 -7.466 1.00 0.00 N ATOM 797 CA PRO A 49 -2.687 -33.334 -7.371 1.00 0.00 C ATOM 798 C PRO A 49 -1.248 -33.020 -6.970 1.00 0.00 C ATOM 799 O PRO A 49 -0.870 -33.375 -5.865 1.00 0.00 O ATOM 800 CB PRO A 49 -2.745 -33.916 -8.785 1.00 0.00 C ATOM 801 CG PRO A 49 -4.032 -33.435 -9.369 1.00 0.00 C ATOM 802 CD PRO A 49 -4.428 -32.158 -8.626 1.00 0.00 C ATOM 0 HA PRO A 49 -3.049 -34.020 -6.605 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.896 -33.582 -9.381 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.709 -35.005 -8.762 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.919 -33.238 -10.435 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.807 -34.194 -9.265 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.311 -31.279 -9.260 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.472 -32.189 -8.314 1.00 0.00 H new TER 810 PRO A 49