USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 440 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 162:sc= -0.0624 (180deg=-0.815) USER MOD Single : A 1 MET N :NH3+ 165:sc= 0 (180deg=-0.378) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0311 USER MOD Single : A 6 SER OG : rot -170:sc= 0.104 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.329 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 84:sc= 1.07 USER MOD Single : A 21 SER OG : rot 78:sc= 0.138 USER MOD Single : A 32 THR OG1 : rot -75:sc= 0.341 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HE2:sc= -0.363 K(o=-0.36,f=-2.6!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.286 X(o=-0.29,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.016 12.080 -13.065 1.00 0.00 N ATOM 2 CA MET A 1 -19.813 12.224 -12.198 1.00 0.00 C ATOM 3 C MET A 1 -18.749 13.031 -12.935 1.00 0.00 C ATOM 4 O MET A 1 -17.588 12.631 -12.998 1.00 0.00 O ATOM 5 CB MET A 1 -19.269 10.835 -11.853 1.00 0.00 C ATOM 6 CG MET A 1 -19.110 10.012 -13.134 1.00 0.00 C ATOM 7 SD MET A 1 -17.922 8.676 -12.850 1.00 0.00 S ATOM 8 CE MET A 1 -18.808 7.869 -11.496 1.00 0.00 C ATOM 0 H1 MET A 1 -21.631 11.333 -12.684 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.537 12.980 -13.088 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.721 11.826 -14.029 1.00 0.00 H new ATOM 0 HA MET A 1 -20.082 12.744 -11.278 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.309 10.925 -11.346 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.946 10.329 -11.165 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.073 9.599 -13.435 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.768 10.650 -13.949 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.434 6.853 -11.371 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.652 8.429 -10.574 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.873 7.838 -11.726 1.00 0.00 H new ATOM 20 N SER A 2 -19.156 14.167 -13.492 1.00 0.00 N ATOM 21 CA SER A 2 -18.230 15.023 -14.224 1.00 0.00 C ATOM 22 C SER A 2 -17.866 16.248 -13.394 1.00 0.00 C ATOM 23 O SER A 2 -18.741 16.962 -12.907 1.00 0.00 O ATOM 24 CB SER A 2 -18.861 15.464 -15.545 1.00 0.00 C ATOM 25 OG SER A 2 -20.273 15.512 -15.398 1.00 0.00 O ATOM 0 H SER A 2 -20.114 14.514 -13.451 1.00 0.00 H new ATOM 0 HA SER A 2 -17.322 14.456 -14.429 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.480 16.444 -15.834 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.590 14.770 -16.340 1.00 0.00 H new ATOM 0 HG SER A 2 -20.680 15.796 -16.243 1.00 0.00 H new ATOM 31 N GLU A 3 -16.567 16.485 -13.236 1.00 0.00 N ATOM 32 CA GLU A 3 -16.099 17.627 -12.460 1.00 0.00 C ATOM 33 C GLU A 3 -14.736 18.093 -12.963 1.00 0.00 C ATOM 34 O GLU A 3 -13.788 18.223 -12.189 1.00 0.00 O ATOM 35 CB GLU A 3 -15.996 17.245 -10.983 1.00 0.00 C ATOM 36 CG GLU A 3 -15.392 15.845 -10.858 1.00 0.00 C ATOM 37 CD GLU A 3 -14.899 15.616 -9.434 1.00 0.00 C ATOM 38 OE1 GLU A 3 -13.824 16.096 -9.116 1.00 0.00 O ATOM 39 OE2 GLU A 3 -15.603 14.961 -8.682 1.00 0.00 O ATOM 0 H GLU A 3 -15.826 15.907 -13.632 1.00 0.00 H new ATOM 0 HA GLU A 3 -16.815 18.441 -12.576 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.377 17.968 -10.452 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -16.983 17.269 -10.521 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -16.137 15.094 -11.119 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.566 15.732 -11.560 1.00 0.00 H new ATOM 46 N PRO A 4 -14.629 18.344 -14.241 1.00 0.00 N ATOM 47 CA PRO A 4 -13.357 18.806 -14.870 1.00 0.00 C ATOM 48 C PRO A 4 -12.960 20.205 -14.405 1.00 0.00 C ATOM 49 O PRO A 4 -11.913 20.392 -13.787 1.00 0.00 O ATOM 50 CB PRO A 4 -13.668 18.796 -16.369 1.00 0.00 C ATOM 51 CG PRO A 4 -15.154 18.904 -16.465 1.00 0.00 C ATOM 52 CD PRO A 4 -15.713 18.214 -15.227 1.00 0.00 C ATOM 0 HA PRO A 4 -12.514 18.170 -14.602 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -13.180 19.627 -16.877 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -13.309 17.880 -16.839 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -15.466 19.948 -16.503 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -15.521 18.428 -17.374 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -16.630 18.692 -14.881 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -15.953 17.169 -15.424 1.00 0.00 H new ATOM 60 N VAL A 5 -13.803 21.186 -14.714 1.00 0.00 N ATOM 61 CA VAL A 5 -13.528 22.564 -14.325 1.00 0.00 C ATOM 62 C VAL A 5 -12.991 22.621 -12.897 1.00 0.00 C ATOM 63 O VAL A 5 -12.108 23.418 -12.583 1.00 0.00 O ATOM 64 CB VAL A 5 -14.808 23.398 -14.422 1.00 0.00 C ATOM 65 CG1 VAL A 5 -15.351 23.336 -15.851 1.00 0.00 C ATOM 66 CG2 VAL A 5 -15.856 22.840 -13.456 1.00 0.00 C ATOM 0 H VAL A 5 -14.674 21.054 -15.228 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.776 22.970 -15.001 1.00 0.00 H new ATOM 0 HB VAL A 5 -14.586 24.433 -14.161 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -16.262 23.930 -15.920 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -14.606 23.733 -16.541 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -15.572 22.301 -16.112 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -16.767 23.434 -13.525 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -16.077 21.805 -13.717 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -15.471 22.883 -12.437 1.00 0.00 H new ATOM 76 N SER A 6 -13.531 21.770 -12.033 1.00 0.00 N ATOM 77 CA SER A 6 -13.101 21.735 -10.641 1.00 0.00 C ATOM 78 C SER A 6 -11.727 21.094 -10.521 1.00 0.00 C ATOM 79 O SER A 6 -10.755 21.764 -10.173 1.00 0.00 O ATOM 80 CB SER A 6 -14.108 20.950 -9.801 1.00 0.00 C ATOM 81 OG SER A 6 -15.154 20.478 -10.638 1.00 0.00 O ATOM 0 H SER A 6 -14.262 21.099 -12.269 1.00 0.00 H new ATOM 0 HA SER A 6 -13.044 22.760 -10.274 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.614 20.112 -9.310 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.515 21.585 -9.014 1.00 0.00 H new ATOM 0 HG SER A 6 -15.876 20.114 -10.085 1.00 0.00 H new ATOM 87 N LEU A 7 -11.656 19.798 -10.811 1.00 0.00 N ATOM 88 CA LEU A 7 -10.392 19.072 -10.732 1.00 0.00 C ATOM 89 C LEU A 7 -9.239 19.951 -11.193 1.00 0.00 C ATOM 90 O LEU A 7 -8.103 19.796 -10.739 1.00 0.00 O ATOM 91 CB LEU A 7 -10.459 17.815 -11.606 1.00 0.00 C ATOM 92 CG LEU A 7 -10.610 16.576 -10.720 1.00 0.00 C ATOM 93 CD1 LEU A 7 -11.095 15.399 -11.567 1.00 0.00 C ATOM 94 CD2 LEU A 7 -9.254 16.231 -10.097 1.00 0.00 C ATOM 0 H LEU A 7 -12.453 19.232 -11.101 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.222 18.787 -9.694 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -11.300 17.885 -12.296 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.556 17.733 -12.211 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.335 16.778 -9.931 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -11.203 14.517 -10.936 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -12.058 15.645 -12.014 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.370 15.195 -12.355 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.358 15.349 -9.465 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.531 16.028 -10.887 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.906 17.070 -9.494 1.00 0.00 H new ATOM 106 N LEU A 8 -9.538 20.878 -12.096 1.00 0.00 N ATOM 107 CA LEU A 8 -8.521 21.781 -12.608 1.00 0.00 C ATOM 108 C LEU A 8 -8.292 22.931 -11.643 1.00 0.00 C ATOM 109 O LEU A 8 -7.143 23.280 -11.370 1.00 0.00 O ATOM 110 CB LEU A 8 -8.939 22.329 -13.975 1.00 0.00 C ATOM 111 CG LEU A 8 -7.719 22.412 -14.897 1.00 0.00 C ATOM 112 CD1 LEU A 8 -8.157 22.884 -16.283 1.00 0.00 C ATOM 113 CD2 LEU A 8 -6.709 23.408 -14.319 1.00 0.00 C ATOM 0 H LEU A 8 -10.470 21.021 -12.485 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.591 21.222 -12.715 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -9.698 21.685 -14.418 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.387 23.316 -13.860 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.258 21.427 -14.976 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.288 22.943 -16.939 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.877 22.178 -16.697 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.619 23.868 -16.203 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.840 23.467 -14.975 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.172 24.392 -14.240 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.395 23.075 -13.330 1.00 0.00 H new ATOM 125 N THR A 9 -9.392 23.503 -11.131 1.00 0.00 N ATOM 126 CA THR A 9 -9.317 24.621 -10.195 1.00 0.00 C ATOM 127 C THR A 9 -8.024 24.548 -9.384 1.00 0.00 C ATOM 128 O THR A 9 -7.966 23.879 -8.346 1.00 0.00 O ATOM 129 CB THR A 9 -10.507 24.594 -9.245 1.00 0.00 C ATOM 130 OG1 THR A 9 -11.702 24.703 -10.004 1.00 0.00 O ATOM 131 CG2 THR A 9 -10.407 25.773 -8.273 1.00 0.00 C ATOM 0 H THR A 9 -10.342 23.205 -11.353 1.00 0.00 H new ATOM 0 HA THR A 9 -9.332 25.548 -10.768 1.00 0.00 H new ATOM 0 HB THR A 9 -10.512 23.662 -8.680 1.00 0.00 H new ATOM 0 HG1 THR A 9 -12.475 24.685 -9.402 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.258 25.756 -7.592 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.482 25.696 -7.701 1.00 0.00 H new ATOM 0 HG23 THR A 9 -10.410 26.708 -8.833 1.00 0.00 H new ATOM 139 N PRO A 10 -6.980 25.197 -9.850 1.00 0.00 N ATOM 140 CA PRO A 10 -5.649 25.186 -9.169 1.00 0.00 C ATOM 141 C PRO A 10 -5.752 25.585 -7.699 1.00 0.00 C ATOM 142 O PRO A 10 -4.898 25.227 -6.889 1.00 0.00 O ATOM 143 CB PRO A 10 -4.829 26.213 -9.957 1.00 0.00 C ATOM 144 CG PRO A 10 -5.483 26.308 -11.295 1.00 0.00 C ATOM 145 CD PRO A 10 -6.954 26.019 -11.074 1.00 0.00 C ATOM 0 HA PRO A 10 -5.202 24.192 -9.162 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.824 27.180 -9.454 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.790 25.897 -10.050 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.343 27.299 -11.726 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.047 25.592 -11.992 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.526 26.938 -10.949 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.387 25.487 -11.921 1.00 0.00 H new ATOM 153 N SER A 11 -6.801 26.326 -7.366 1.00 0.00 N ATOM 154 CA SER A 11 -7.006 26.768 -5.992 1.00 0.00 C ATOM 155 C SER A 11 -7.425 25.599 -5.107 1.00 0.00 C ATOM 156 O SER A 11 -7.206 25.615 -3.896 1.00 0.00 O ATOM 157 CB SER A 11 -8.080 27.856 -5.947 1.00 0.00 C ATOM 158 OG SER A 11 -9.010 27.555 -4.916 1.00 0.00 O ATOM 0 H SER A 11 -7.519 26.632 -8.023 1.00 0.00 H new ATOM 0 HA SER A 11 -6.065 27.171 -5.618 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.622 28.828 -5.767 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.592 27.918 -6.907 1.00 0.00 H new ATOM 0 HG SER A 11 -9.699 28.251 -4.883 1.00 0.00 H new ATOM 164 N ASP A 12 -8.027 24.587 -5.719 1.00 0.00 N ATOM 165 CA ASP A 12 -8.474 23.413 -4.978 1.00 0.00 C ATOM 166 C ASP A 12 -7.367 22.367 -4.916 1.00 0.00 C ATOM 167 O ASP A 12 -7.108 21.786 -3.862 1.00 0.00 O ATOM 168 CB ASP A 12 -9.712 22.812 -5.647 1.00 0.00 C ATOM 169 CG ASP A 12 -10.941 23.655 -5.325 1.00 0.00 C ATOM 170 OD1 ASP A 12 -10.766 24.754 -4.823 1.00 0.00 O ATOM 171 OD2 ASP A 12 -12.038 23.191 -5.585 1.00 0.00 O ATOM 0 H ASP A 12 -8.216 24.554 -6.721 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.725 23.721 -3.963 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.566 22.765 -6.726 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.862 21.789 -5.301 1.00 0.00 H new ATOM 176 N LEU A 13 -6.717 22.132 -6.051 1.00 0.00 N ATOM 177 CA LEU A 13 -5.639 21.151 -6.111 1.00 0.00 C ATOM 178 C LEU A 13 -4.508 21.541 -5.168 1.00 0.00 C ATOM 179 O LEU A 13 -3.513 22.131 -5.590 1.00 0.00 O ATOM 180 CB LEU A 13 -5.106 21.052 -7.542 1.00 0.00 C ATOM 181 CG LEU A 13 -4.281 19.772 -7.693 1.00 0.00 C ATOM 182 CD1 LEU A 13 -5.195 18.619 -8.113 1.00 0.00 C ATOM 183 CD2 LEU A 13 -3.207 19.984 -8.763 1.00 0.00 C ATOM 0 H LEU A 13 -6.915 22.602 -6.934 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.033 20.183 -5.803 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.934 21.049 -8.250 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.492 21.922 -7.774 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.808 19.531 -6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.606 17.708 -8.220 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.962 18.468 -7.354 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.669 18.859 -9.065 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.618 19.074 -8.873 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.683 20.225 -9.714 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.554 20.805 -8.466 1.00 0.00 H new ATOM 195 N ASP A 14 -4.670 21.212 -3.889 1.00 0.00 N ATOM 196 CA ASP A 14 -3.660 21.542 -2.901 1.00 0.00 C ATOM 197 C ASP A 14 -2.718 20.357 -2.680 1.00 0.00 C ATOM 198 O ASP A 14 -3.078 19.207 -2.940 1.00 0.00 O ATOM 199 CB ASP A 14 -4.328 21.916 -1.575 1.00 0.00 C ATOM 200 CG ASP A 14 -4.137 23.402 -1.285 1.00 0.00 C ATOM 201 OD1 ASP A 14 -4.581 24.206 -2.088 1.00 0.00 O ATOM 202 OD2 ASP A 14 -3.539 23.712 -0.269 1.00 0.00 O ATOM 0 H ASP A 14 -5.485 20.722 -3.520 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.082 22.390 -3.270 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.391 21.681 -1.617 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.902 21.323 -0.766 1.00 0.00 H new ATOM 207 N PRO A 15 -1.529 20.617 -2.201 1.00 0.00 N ATOM 208 CA PRO A 15 -0.518 19.557 -1.930 1.00 0.00 C ATOM 209 C PRO A 15 -0.959 18.613 -0.815 1.00 0.00 C ATOM 210 O PRO A 15 -0.621 17.430 -0.820 1.00 0.00 O ATOM 211 CB PRO A 15 0.732 20.342 -1.516 1.00 0.00 C ATOM 212 CG PRO A 15 0.237 21.675 -1.064 1.00 0.00 C ATOM 213 CD PRO A 15 -1.021 21.955 -1.867 1.00 0.00 C ATOM 0 HA PRO A 15 -0.357 18.916 -2.797 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.269 19.831 -0.716 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.425 20.444 -2.351 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.023 21.669 0.005 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.987 22.447 -1.234 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.747 22.525 -1.287 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.802 22.535 -2.764 1.00 0.00 H new ATOM 221 N LEU A 16 -1.716 19.147 0.139 1.00 0.00 N ATOM 222 CA LEU A 16 -2.195 18.342 1.258 1.00 0.00 C ATOM 223 C LEU A 16 -3.171 17.277 0.774 1.00 0.00 C ATOM 224 O LEU A 16 -3.094 16.119 1.187 1.00 0.00 O ATOM 225 CB LEU A 16 -2.887 19.239 2.289 1.00 0.00 C ATOM 226 CG LEU A 16 -2.031 19.313 3.558 1.00 0.00 C ATOM 227 CD1 LEU A 16 -0.673 19.934 3.228 1.00 0.00 C ATOM 228 CD2 LEU A 16 -2.746 20.173 4.603 1.00 0.00 C ATOM 0 H LEU A 16 -2.009 20.124 0.160 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.338 17.851 1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.034 20.238 1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.875 18.844 2.526 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.881 18.308 3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.067 19.985 4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.164 19.321 2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.819 20.939 2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.139 20.227 5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.897 21.177 4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.712 19.728 4.841 1.00 0.00 H new ATOM 240 N ILE A 17 -4.090 17.674 -0.097 1.00 0.00 N ATOM 241 CA ILE A 17 -5.078 16.744 -0.627 1.00 0.00 C ATOM 242 C ILE A 17 -4.409 15.693 -1.502 1.00 0.00 C ATOM 243 O ILE A 17 -4.750 14.511 -1.440 1.00 0.00 O ATOM 244 CB ILE A 17 -6.124 17.503 -1.448 1.00 0.00 C ATOM 245 CG1 ILE A 17 -6.517 18.785 -0.708 1.00 0.00 C ATOM 246 CG2 ILE A 17 -7.362 16.626 -1.642 1.00 0.00 C ATOM 247 CD1 ILE A 17 -6.858 18.454 0.747 1.00 0.00 C ATOM 0 H ILE A 17 -4.172 18.628 -0.449 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.565 16.246 0.211 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.706 17.756 -2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.699 19.504 -0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.373 19.251 -1.196 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.105 17.169 -2.227 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.082 15.713 -2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.782 16.370 -0.670 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.137 19.367 1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.690 17.751 0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.990 18.008 1.232 1.00 0.00 H new ATOM 259 N LEU A 18 -3.455 16.129 -2.318 1.00 0.00 N ATOM 260 CA LEU A 18 -2.744 15.215 -3.203 1.00 0.00 C ATOM 261 C LEU A 18 -2.110 14.081 -2.403 1.00 0.00 C ATOM 262 O LEU A 18 -2.230 12.910 -2.763 1.00 0.00 O ATOM 263 CB LEU A 18 -1.656 15.969 -3.968 1.00 0.00 C ATOM 264 CG LEU A 18 -1.417 15.296 -5.322 1.00 0.00 C ATOM 265 CD1 LEU A 18 -2.351 15.907 -6.367 1.00 0.00 C ATOM 266 CD2 LEU A 18 0.038 15.509 -5.753 1.00 0.00 C ATOM 0 H LEU A 18 -3.158 17.103 -2.385 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.459 14.793 -3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.954 17.007 -4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.733 15.981 -3.389 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.616 14.228 -5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.181 15.428 -7.331 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.387 15.754 -6.063 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.152 16.975 -6.452 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.206 15.029 -6.717 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.239 16.577 -5.839 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.705 15.073 -5.010 1.00 0.00 H new ATOM 278 N THR A 19 -1.432 14.436 -1.317 1.00 0.00 N ATOM 279 CA THR A 19 -0.781 13.439 -0.475 1.00 0.00 C ATOM 280 C THR A 19 -1.815 12.505 0.147 1.00 0.00 C ATOM 281 O THR A 19 -1.667 11.283 0.106 1.00 0.00 O ATOM 282 CB THR A 19 0.014 14.131 0.636 1.00 0.00 C ATOM 283 OG1 THR A 19 0.630 15.300 0.114 1.00 0.00 O ATOM 284 CG2 THR A 19 1.088 13.179 1.167 1.00 0.00 C ATOM 0 H THR A 19 -1.319 15.399 -1.001 1.00 0.00 H new ATOM 0 HA THR A 19 -0.104 12.853 -1.097 1.00 0.00 H new ATOM 0 HB THR A 19 -0.658 14.405 1.449 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.009 16.043 0.133 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.653 13.673 1.958 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.614 12.282 1.566 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.763 12.903 0.357 1.00 0.00 H new ATOM 292 N LEU A 20 -2.861 13.087 0.722 1.00 0.00 N ATOM 293 CA LEU A 20 -3.914 12.295 1.349 1.00 0.00 C ATOM 294 C LEU A 20 -4.432 11.233 0.385 1.00 0.00 C ATOM 295 O LEU A 20 -4.618 10.075 0.762 1.00 0.00 O ATOM 296 CB LEU A 20 -5.067 13.205 1.774 1.00 0.00 C ATOM 297 CG LEU A 20 -5.046 13.383 3.292 1.00 0.00 C ATOM 298 CD1 LEU A 20 -3.705 13.981 3.719 1.00 0.00 C ATOM 299 CD2 LEU A 20 -6.181 14.321 3.713 1.00 0.00 C ATOM 0 H LEU A 20 -3.003 14.096 0.768 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.497 11.801 2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.979 14.174 1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.018 12.774 1.461 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.179 12.413 3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.691 14.107 4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.897 13.312 3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.569 14.950 3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.166 14.448 4.796 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.049 15.290 3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.137 13.893 3.411 1.00 0.00 H new ATOM 311 N SER A 21 -4.664 11.634 -0.860 1.00 0.00 N ATOM 312 CA SER A 21 -5.160 10.707 -1.869 1.00 0.00 C ATOM 313 C SER A 21 -4.124 9.625 -2.159 1.00 0.00 C ATOM 314 O SER A 21 -4.452 8.441 -2.229 1.00 0.00 O ATOM 315 CB SER A 21 -5.484 11.461 -3.158 1.00 0.00 C ATOM 316 OG SER A 21 -6.532 12.388 -2.910 1.00 0.00 O ATOM 0 H SER A 21 -4.518 12.587 -1.193 1.00 0.00 H new ATOM 0 HA SER A 21 -6.065 10.236 -1.486 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.598 11.984 -3.519 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.780 10.760 -3.938 1.00 0.00 H new ATOM 0 HG SER A 21 -6.172 13.173 -2.447 1.00 0.00 H new ATOM 322 N LEU A 22 -2.875 10.040 -2.327 1.00 0.00 N ATOM 323 CA LEU A 22 -1.802 9.096 -2.612 1.00 0.00 C ATOM 324 C LEU A 22 -1.763 7.992 -1.560 1.00 0.00 C ATOM 325 O LEU A 22 -1.574 6.819 -1.880 1.00 0.00 O ATOM 326 CB LEU A 22 -0.458 9.827 -2.640 1.00 0.00 C ATOM 327 CG LEU A 22 0.294 9.469 -3.925 1.00 0.00 C ATOM 328 CD1 LEU A 22 1.642 10.193 -3.948 1.00 0.00 C ATOM 329 CD2 LEU A 22 0.530 7.955 -3.976 1.00 0.00 C ATOM 0 H LEU A 22 -2.581 11.015 -2.272 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.990 8.645 -3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.617 10.904 -2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.136 9.550 -1.769 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.299 9.775 -4.787 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.177 9.938 -4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.477 11.270 -3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.234 9.888 -3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.065 7.701 -4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.121 7.650 -3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.429 7.437 -3.961 1.00 0.00 H new ATOM 341 N ILE A 23 -1.945 8.376 -0.302 1.00 0.00 N ATOM 342 CA ILE A 23 -1.934 7.411 0.789 1.00 0.00 C ATOM 343 C ILE A 23 -3.087 6.424 0.639 1.00 0.00 C ATOM 344 O ILE A 23 -2.903 5.215 0.774 1.00 0.00 O ATOM 345 CB ILE A 23 -2.050 8.135 2.130 1.00 0.00 C ATOM 346 CG1 ILE A 23 -0.716 8.811 2.459 1.00 0.00 C ATOM 347 CG2 ILE A 23 -2.395 7.128 3.228 1.00 0.00 C ATOM 348 CD1 ILE A 23 -0.921 9.825 3.586 1.00 0.00 C ATOM 0 H ILE A 23 -2.101 9.342 -0.014 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.993 6.863 0.755 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.836 8.888 2.070 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.019 8.063 2.758 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.321 9.310 1.574 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.477 7.646 4.184 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.344 6.645 2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.610 6.374 3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.029 10.306 3.820 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.642 10.579 3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.296 9.313 4.472 1.00 0.00 H new ATOM 360 N LEU A 24 -4.275 6.948 0.357 1.00 0.00 N ATOM 361 CA LEU A 24 -5.451 6.102 0.189 1.00 0.00 C ATOM 362 C LEU A 24 -5.214 5.068 -0.907 1.00 0.00 C ATOM 363 O LEU A 24 -5.667 3.928 -0.805 1.00 0.00 O ATOM 364 CB LEU A 24 -6.665 6.962 -0.169 1.00 0.00 C ATOM 365 CG LEU A 24 -7.917 6.081 -0.234 1.00 0.00 C ATOM 366 CD1 LEU A 24 -8.924 6.541 0.819 1.00 0.00 C ATOM 367 CD2 LEU A 24 -8.546 6.197 -1.626 1.00 0.00 C ATOM 0 H LEU A 24 -4.449 7.946 0.241 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.640 5.581 1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.799 7.748 0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.504 7.455 -1.128 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.642 5.044 -0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.814 5.913 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.477 6.461 1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.201 7.578 0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.437 5.571 -1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.820 7.235 -1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.829 5.868 -2.378 1.00 0.00 H new ATOM 379 N VAL A 25 -4.504 5.475 -1.952 1.00 0.00 N ATOM 380 CA VAL A 25 -4.215 4.572 -3.062 1.00 0.00 C ATOM 381 C VAL A 25 -3.176 3.534 -2.653 1.00 0.00 C ATOM 382 O VAL A 25 -3.257 2.372 -3.053 1.00 0.00 O ATOM 383 CB VAL A 25 -3.699 5.368 -4.261 1.00 0.00 C ATOM 384 CG1 VAL A 25 -3.348 4.409 -5.400 1.00 0.00 C ATOM 385 CG2 VAL A 25 -4.783 6.341 -4.731 1.00 0.00 C ATOM 0 H VAL A 25 -4.121 6.414 -2.055 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.136 4.058 -3.336 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.809 5.926 -3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.980 4.978 -6.254 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.576 3.715 -5.067 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.237 3.850 -5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.416 6.909 -5.586 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.673 5.782 -5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.033 7.026 -3.921 1.00 0.00 H new ATOM 395 N VAL A 26 -2.204 3.960 -1.856 1.00 0.00 N ATOM 396 CA VAL A 26 -1.153 3.058 -1.398 1.00 0.00 C ATOM 397 C VAL A 26 -1.752 1.871 -0.655 1.00 0.00 C ATOM 398 O VAL A 26 -1.442 0.718 -0.952 1.00 0.00 O ATOM 399 CB VAL A 26 -0.187 3.804 -0.476 1.00 0.00 C ATOM 400 CG1 VAL A 26 0.843 2.825 0.091 1.00 0.00 C ATOM 401 CG2 VAL A 26 0.535 4.895 -1.271 1.00 0.00 C ATOM 0 H VAL A 26 -2.121 4.918 -1.515 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.612 2.691 -2.270 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.746 4.256 0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.530 3.359 0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.332 2.046 0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.402 2.371 -0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.224 5.428 -0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.092 4.440 -2.090 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.196 5.595 -1.675 1.00 0.00 H new ATOM 411 N ILE A 27 -2.613 2.161 0.316 1.00 0.00 N ATOM 412 CA ILE A 27 -3.246 1.106 1.096 1.00 0.00 C ATOM 413 C ILE A 27 -4.093 0.212 0.197 1.00 0.00 C ATOM 414 O ILE A 27 -3.975 -1.012 0.237 1.00 0.00 O ATOM 415 CB ILE A 27 -4.127 1.721 2.190 1.00 0.00 C ATOM 416 CG1 ILE A 27 -3.287 1.956 3.449 1.00 0.00 C ATOM 417 CG2 ILE A 27 -5.285 0.774 2.524 1.00 0.00 C ATOM 418 CD1 ILE A 27 -2.112 2.877 3.120 1.00 0.00 C ATOM 0 H ILE A 27 -2.886 3.108 0.579 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.466 0.501 1.558 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.529 2.669 1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.903 2.401 4.231 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.919 1.005 3.835 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.906 1.219 3.302 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.887 0.606 1.631 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.887 -0.177 2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.517 3.042 4.018 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.491 2.415 2.353 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.489 3.832 2.754 1.00 0.00 H new ATOM 430 N LEU A 28 -4.958 0.831 -0.599 1.00 0.00 N ATOM 431 CA LEU A 28 -5.832 0.080 -1.491 1.00 0.00 C ATOM 432 C LEU A 28 -5.024 -0.907 -2.324 1.00 0.00 C ATOM 433 O LEU A 28 -5.381 -2.079 -2.438 1.00 0.00 O ATOM 434 CB LEU A 28 -6.584 1.040 -2.414 1.00 0.00 C ATOM 435 CG LEU A 28 -8.016 1.221 -1.908 1.00 0.00 C ATOM 436 CD1 LEU A 28 -7.992 1.669 -0.447 1.00 0.00 C ATOM 437 CD2 LEU A 28 -8.724 2.283 -2.754 1.00 0.00 C ATOM 0 H LEU A 28 -5.072 1.844 -0.645 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.549 -0.476 -0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.075 2.003 -2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.594 0.650 -3.432 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.550 0.274 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.013 1.797 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.488 0.914 0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.457 2.615 -0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.745 2.413 -2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.188 3.229 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.744 1.964 -3.796 1.00 0.00 H new ATOM 449 N VAL A 29 -3.929 -0.426 -2.902 1.00 0.00 N ATOM 450 CA VAL A 29 -3.074 -1.277 -3.722 1.00 0.00 C ATOM 451 C VAL A 29 -2.483 -2.406 -2.885 1.00 0.00 C ATOM 452 O VAL A 29 -2.465 -3.561 -3.308 1.00 0.00 O ATOM 453 CB VAL A 29 -1.945 -0.445 -4.332 1.00 0.00 C ATOM 454 CG1 VAL A 29 -0.967 -1.369 -5.061 1.00 0.00 C ATOM 455 CG2 VAL A 29 -2.531 0.562 -5.326 1.00 0.00 C ATOM 0 H VAL A 29 -3.614 0.541 -2.819 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.678 -1.710 -4.519 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.420 0.089 -3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.162 -0.776 -5.496 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.549 -2.086 -4.355 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.493 -1.903 -5.852 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.726 1.155 -5.761 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.057 0.028 -6.118 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.228 1.221 -4.808 1.00 0.00 H new ATOM 465 N LEU A 30 -1.997 -2.064 -1.698 1.00 0.00 N ATOM 466 CA LEU A 30 -1.405 -3.059 -0.813 1.00 0.00 C ATOM 467 C LEU A 30 -2.436 -4.116 -0.428 1.00 0.00 C ATOM 468 O LEU A 30 -2.134 -5.310 -0.403 1.00 0.00 O ATOM 469 CB LEU A 30 -0.868 -2.382 0.451 1.00 0.00 C ATOM 470 CG LEU A 30 0.645 -2.190 0.329 1.00 0.00 C ATOM 471 CD1 LEU A 30 1.111 -1.139 1.338 1.00 0.00 C ATOM 472 CD2 LEU A 30 1.352 -3.518 0.615 1.00 0.00 C ATOM 0 H LEU A 30 -2.001 -1.113 -1.328 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.584 -3.544 -1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.356 -1.418 0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.098 -2.989 1.326 1.00 0.00 H new ATOM 0 HG LEU A 30 0.888 -1.857 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.189 -1.003 1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.608 -0.193 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.868 -1.471 2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.430 -3.382 0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.108 -3.850 1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.022 -4.268 -0.104 1.00 0.00 H new ATOM 484 N LEU A 31 -3.649 -3.669 -0.127 1.00 0.00 N ATOM 485 CA LEU A 31 -4.718 -4.585 0.256 1.00 0.00 C ATOM 486 C LEU A 31 -5.002 -5.572 -0.872 1.00 0.00 C ATOM 487 O LEU A 31 -5.248 -6.754 -0.631 1.00 0.00 O ATOM 488 CB LEU A 31 -5.988 -3.797 0.583 1.00 0.00 C ATOM 489 CG LEU A 31 -6.398 -4.069 2.030 1.00 0.00 C ATOM 490 CD1 LEU A 31 -7.604 -3.200 2.393 1.00 0.00 C ATOM 491 CD2 LEU A 31 -6.771 -5.546 2.188 1.00 0.00 C ATOM 0 H LEU A 31 -3.917 -2.685 -0.140 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.401 -5.140 1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.815 -2.731 0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.792 -4.085 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.565 -3.831 2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.895 -3.395 3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.341 -2.148 2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.436 -3.437 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.063 -5.739 3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.603 -5.784 1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.913 -6.167 1.932 1.00 0.00 H new ATOM 503 N THR A 32 -4.964 -5.082 -2.104 1.00 0.00 N ATOM 504 CA THR A 32 -5.218 -5.933 -3.261 1.00 0.00 C ATOM 505 C THR A 32 -4.113 -6.976 -3.408 1.00 0.00 C ATOM 506 O THR A 32 -4.380 -8.140 -3.708 1.00 0.00 O ATOM 507 CB THR A 32 -5.291 -5.082 -4.528 1.00 0.00 C ATOM 508 OG1 THR A 32 -4.893 -3.751 -4.230 1.00 0.00 O ATOM 509 CG2 THR A 32 -6.724 -5.080 -5.063 1.00 0.00 C ATOM 0 H THR A 32 -4.762 -4.108 -2.328 1.00 0.00 H new ATOM 0 HA THR A 32 -6.169 -6.444 -3.113 1.00 0.00 H new ATOM 0 HB THR A 32 -4.624 -5.499 -5.283 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.611 -3.297 -3.741 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.774 -4.473 -5.967 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.027 -6.101 -5.295 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.393 -4.665 -4.309 1.00 0.00 H new ATOM 517 N VAL A 33 -2.872 -6.551 -3.190 1.00 0.00 N ATOM 518 CA VAL A 33 -1.735 -7.459 -3.296 1.00 0.00 C ATOM 519 C VAL A 33 -1.933 -8.666 -2.384 1.00 0.00 C ATOM 520 O VAL A 33 -1.692 -9.806 -2.784 1.00 0.00 O ATOM 521 CB VAL A 33 -0.447 -6.729 -2.911 1.00 0.00 C ATOM 522 CG1 VAL A 33 0.674 -7.748 -2.698 1.00 0.00 C ATOM 523 CG2 VAL A 33 -0.054 -5.766 -4.033 1.00 0.00 C ATOM 0 H VAL A 33 -2.629 -5.592 -2.941 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.660 -7.804 -4.327 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.608 -6.169 -1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.592 -7.227 -2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.394 -8.435 -1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.836 -8.308 -3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.864 -5.245 -3.760 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.107 -6.327 -4.954 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.852 -5.040 -4.185 1.00 0.00 H new ATOM 533 N LEU A 34 -2.380 -8.410 -1.159 1.00 0.00 N ATOM 534 CA LEU A 34 -2.616 -9.485 -0.203 1.00 0.00 C ATOM 535 C LEU A 34 -3.772 -10.365 -0.668 1.00 0.00 C ATOM 536 O LEU A 34 -3.744 -11.583 -0.492 1.00 0.00 O ATOM 537 CB LEU A 34 -2.937 -8.899 1.172 1.00 0.00 C ATOM 538 CG LEU A 34 -1.638 -8.622 1.929 1.00 0.00 C ATOM 539 CD1 LEU A 34 -1.839 -7.437 2.874 1.00 0.00 C ATOM 540 CD2 LEU A 34 -1.246 -9.860 2.741 1.00 0.00 C ATOM 0 H LEU A 34 -2.585 -7.475 -0.807 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.714 -10.094 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.508 -7.977 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.558 -9.593 1.738 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.847 -8.388 1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.912 -7.240 3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.117 -6.555 2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.631 -7.670 3.586 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.320 -9.663 3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.038 -10.094 3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.101 -10.705 2.068 1.00 0.00 H new ATOM 552 N ALA A 35 -4.783 -9.739 -1.260 1.00 0.00 N ATOM 553 CA ALA A 35 -5.945 -10.476 -1.746 1.00 0.00 C ATOM 554 C ALA A 35 -5.520 -11.537 -2.758 1.00 0.00 C ATOM 555 O ALA A 35 -5.980 -12.679 -2.705 1.00 0.00 O ATOM 556 CB ALA A 35 -6.938 -9.515 -2.400 1.00 0.00 C ATOM 0 H ALA A 35 -4.823 -8.732 -1.414 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.421 -10.967 -0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.802 -10.074 -2.760 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.263 -8.775 -1.669 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.458 -9.010 -3.238 1.00 0.00 H new ATOM 562 N LEU A 36 -4.641 -11.153 -3.675 1.00 0.00 N ATOM 563 CA LEU A 36 -4.160 -12.082 -4.692 1.00 0.00 C ATOM 564 C LEU A 36 -3.341 -13.197 -4.054 1.00 0.00 C ATOM 565 O LEU A 36 -3.477 -14.365 -4.418 1.00 0.00 O ATOM 566 CB LEU A 36 -3.301 -11.334 -5.717 1.00 0.00 C ATOM 567 CG LEU A 36 -4.104 -11.120 -7.001 1.00 0.00 C ATOM 568 CD1 LEU A 36 -5.433 -10.435 -6.668 1.00 0.00 C ATOM 569 CD2 LEU A 36 -3.304 -10.237 -7.961 1.00 0.00 C ATOM 0 H LEU A 36 -4.249 -10.213 -3.737 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.022 -12.523 -5.193 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.985 -10.374 -5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.396 -11.903 -5.932 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.301 -12.084 -7.469 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.004 -10.283 -7.584 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.004 -11.063 -5.984 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.238 -9.471 -6.198 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.876 -10.084 -8.876 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.107 -9.274 -7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.359 -10.724 -8.201 1.00 0.00 H new ATOM 581 N LEU A 37 -2.494 -12.830 -3.101 1.00 0.00 N ATOM 582 CA LEU A 37 -1.661 -13.812 -2.421 1.00 0.00 C ATOM 583 C LEU A 37 -2.526 -14.873 -1.746 1.00 0.00 C ATOM 584 O LEU A 37 -2.241 -16.066 -1.831 1.00 0.00 O ATOM 585 CB LEU A 37 -0.788 -13.120 -1.371 1.00 0.00 C ATOM 586 CG LEU A 37 0.582 -12.801 -1.972 1.00 0.00 C ATOM 587 CD1 LEU A 37 1.288 -11.755 -1.107 1.00 0.00 C ATOM 588 CD2 LEU A 37 1.432 -14.077 -2.017 1.00 0.00 C ATOM 0 H LEU A 37 -2.366 -11.869 -2.784 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.024 -14.295 -3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.269 -12.203 -1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.673 -13.763 -0.498 1.00 0.00 H new ATOM 0 HG LEU A 37 0.452 -12.413 -2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.264 -11.528 -1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.687 -10.846 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.417 -12.145 -0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.408 -13.849 -2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.561 -14.464 -1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.932 -14.826 -2.631 1.00 0.00 H new ATOM 600 N SER A 38 -3.584 -14.427 -1.077 1.00 0.00 N ATOM 601 CA SER A 38 -4.485 -15.348 -0.394 1.00 0.00 C ATOM 602 C SER A 38 -5.131 -16.304 -1.391 1.00 0.00 C ATOM 603 O SER A 38 -5.185 -17.511 -1.163 1.00 0.00 O ATOM 604 CB SER A 38 -5.573 -14.563 0.341 1.00 0.00 C ATOM 605 OG SER A 38 -5.033 -14.023 1.541 1.00 0.00 O ATOM 0 H SER A 38 -3.837 -13.442 -0.993 1.00 0.00 H new ATOM 0 HA SER A 38 -3.906 -15.928 0.325 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.951 -13.762 -0.294 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.417 -15.215 0.569 1.00 0.00 H new ATOM 0 HG SER A 38 -5.727 -13.518 2.014 1.00 0.00 H new ATOM 611 N HIS A 39 -5.619 -15.752 -2.499 1.00 0.00 N ATOM 612 CA HIS A 39 -6.258 -16.566 -3.528 1.00 0.00 C ATOM 613 C HIS A 39 -5.286 -17.611 -4.064 1.00 0.00 C ATOM 614 O HIS A 39 -5.666 -18.755 -4.314 1.00 0.00 O ATOM 615 CB HIS A 39 -6.739 -15.676 -4.674 1.00 0.00 C ATOM 616 CG HIS A 39 -7.784 -16.406 -5.472 1.00 0.00 C ATOM 617 ND1 HIS A 39 -7.552 -17.659 -6.021 1.00 0.00 N ATOM 618 CD2 HIS A 39 -9.070 -16.075 -5.823 1.00 0.00 C ATOM 619 CE1 HIS A 39 -8.674 -18.032 -6.666 1.00 0.00 C ATOM 620 NE2 HIS A 39 -9.628 -17.102 -6.577 1.00 0.00 N ATOM 0 H HIS A 39 -5.585 -14.754 -2.706 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.112 -17.076 -3.083 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.151 -14.747 -4.279 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.900 -15.405 -5.315 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -6.690 -18.199 -5.949 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.572 -15.157 -5.554 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.788 -18.969 -7.191 1.00 0.00 H new ATOM 628 N ARG A 40 -4.031 -17.210 -4.239 1.00 0.00 N ATOM 629 CA ARG A 40 -3.010 -18.119 -4.746 1.00 0.00 C ATOM 630 C ARG A 40 -2.719 -19.219 -3.730 1.00 0.00 C ATOM 631 O ARG A 40 -2.587 -20.390 -4.089 1.00 0.00 O ATOM 632 CB ARG A 40 -1.724 -17.347 -5.047 1.00 0.00 C ATOM 633 CG ARG A 40 -1.854 -16.646 -6.401 1.00 0.00 C ATOM 634 CD ARG A 40 -0.845 -15.500 -6.481 1.00 0.00 C ATOM 635 NE ARG A 40 0.400 -15.877 -5.823 1.00 0.00 N ATOM 636 CZ ARG A 40 1.206 -16.795 -6.349 1.00 0.00 C ATOM 637 NH1 ARG A 40 0.887 -17.374 -7.474 1.00 0.00 N ATOM 638 NH2 ARG A 40 2.315 -17.115 -5.741 1.00 0.00 N ATOM 0 H ARG A 40 -3.698 -16.267 -4.038 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.382 -18.576 -5.663 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.535 -16.614 -4.263 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.873 -18.028 -5.058 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.678 -17.357 -7.209 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.866 -16.263 -6.528 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.652 -15.248 -7.524 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.258 -14.609 -6.009 1.00 0.00 H new ATOM 0 HE ARG A 40 0.658 -15.429 -4.944 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.020 -17.122 -7.949 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.504 -18.078 -7.878 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.564 -16.661 -4.862 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.933 -17.819 -6.144 1.00 0.00 H new ATOM 652 N ARG A 41 -2.619 -18.834 -2.462 1.00 0.00 N ATOM 653 CA ARG A 41 -2.340 -19.795 -1.402 1.00 0.00 C ATOM 654 C ARG A 41 -3.440 -20.850 -1.329 1.00 0.00 C ATOM 655 O ARG A 41 -3.164 -22.040 -1.169 1.00 0.00 O ATOM 656 CB ARG A 41 -2.233 -19.074 -0.056 1.00 0.00 C ATOM 657 CG ARG A 41 -1.071 -18.080 -0.101 1.00 0.00 C ATOM 658 CD ARG A 41 0.038 -18.547 0.843 1.00 0.00 C ATOM 659 NE ARG A 41 0.333 -19.957 0.616 1.00 0.00 N ATOM 660 CZ ARG A 41 1.442 -20.514 1.096 1.00 0.00 C ATOM 661 NH1 ARG A 41 2.288 -19.795 1.783 1.00 0.00 N ATOM 662 NH2 ARG A 41 1.683 -21.777 0.880 1.00 0.00 N ATOM 0 H ARG A 41 -2.726 -17.870 -2.145 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.394 -20.288 -1.627 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.164 -18.552 0.164 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.076 -19.797 0.745 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.687 -17.999 -1.118 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.416 -17.088 0.189 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.936 -17.950 0.684 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.267 -18.394 1.878 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.322 -20.526 0.080 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.099 -18.807 1.951 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.138 -20.221 2.151 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.021 -22.338 0.343 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.533 -22.204 1.248 1.00 0.00 H new ATOM 676 N ALA A 42 -4.686 -20.406 -1.445 1.00 0.00 N ATOM 677 CA ALA A 42 -5.821 -21.322 -1.390 1.00 0.00 C ATOM 678 C ALA A 42 -5.801 -22.272 -2.583 1.00 0.00 C ATOM 679 O ALA A 42 -5.853 -23.492 -2.419 1.00 0.00 O ATOM 680 CB ALA A 42 -7.129 -20.530 -1.386 1.00 0.00 C ATOM 0 H ALA A 42 -4.936 -19.426 -1.577 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.749 -21.908 -0.474 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.972 -21.220 -1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.154 -19.874 -0.516 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.194 -19.931 -2.294 1.00 0.00 H new ATOM 686 N LEU A 43 -5.724 -21.707 -3.781 1.00 0.00 N ATOM 687 CA LEU A 43 -5.694 -22.515 -4.994 1.00 0.00 C ATOM 688 C LEU A 43 -4.687 -23.652 -4.856 1.00 0.00 C ATOM 689 O LEU A 43 -4.947 -24.780 -5.279 1.00 0.00 O ATOM 690 CB LEU A 43 -5.321 -21.643 -6.195 1.00 0.00 C ATOM 691 CG LEU A 43 -5.817 -22.302 -7.482 1.00 0.00 C ATOM 692 CD1 LEU A 43 -7.263 -21.876 -7.752 1.00 0.00 C ATOM 693 CD2 LEU A 43 -4.932 -21.863 -8.652 1.00 0.00 C ATOM 0 H LEU A 43 -5.681 -20.700 -3.939 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.686 -22.940 -5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.762 -20.652 -6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.240 -21.508 -6.237 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.772 -23.386 -7.375 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.616 -22.346 -8.670 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.895 -22.186 -6.920 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.309 -20.792 -7.859 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.284 -22.332 -9.571 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.979 -20.779 -8.757 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.902 -22.165 -8.462 1.00 0.00 H new ATOM 705 N LYS A 44 -3.538 -23.349 -4.263 1.00 0.00 N ATOM 706 CA LYS A 44 -2.499 -24.354 -4.076 1.00 0.00 C ATOM 707 C LYS A 44 -2.931 -25.381 -3.032 1.00 0.00 C ATOM 708 O LYS A 44 -2.804 -26.586 -3.244 1.00 0.00 O ATOM 709 CB LYS A 44 -1.200 -23.684 -3.629 1.00 0.00 C ATOM 710 CG LYS A 44 -0.035 -24.225 -4.463 1.00 0.00 C ATOM 711 CD LYS A 44 1.279 -23.636 -3.946 1.00 0.00 C ATOM 712 CE LYS A 44 2.449 -24.219 -4.743 1.00 0.00 C ATOM 713 NZ LYS A 44 3.730 -23.669 -4.217 1.00 0.00 N ATOM 0 H LYS A 44 -3.303 -22.423 -3.906 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.336 -24.864 -5.025 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.276 -22.603 -3.748 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.024 -23.876 -2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.006 -25.313 -4.404 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.174 -23.966 -5.513 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.265 -22.550 -4.041 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.399 -23.861 -2.886 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.449 -25.306 -4.667 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.342 -23.973 -5.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.526 -24.064 -4.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.728 -22.633 -4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.832 -23.925 -3.214 1.00 0.00 H new ATOM 727 N GLN A 45 -3.441 -24.894 -1.906 1.00 0.00 N ATOM 728 CA GLN A 45 -3.887 -25.780 -0.837 1.00 0.00 C ATOM 729 C GLN A 45 -5.123 -26.563 -1.270 1.00 0.00 C ATOM 730 O GLN A 45 -5.528 -27.517 -0.608 1.00 0.00 O ATOM 731 CB GLN A 45 -4.213 -24.964 0.416 1.00 0.00 C ATOM 732 CG GLN A 45 -2.918 -24.409 1.014 1.00 0.00 C ATOM 733 CD GLN A 45 -2.392 -25.360 2.084 1.00 0.00 C ATOM 734 OE1 GLN A 45 -2.541 -25.096 3.278 1.00 0.00 O ATOM 735 NE2 GLN A 45 -1.780 -26.455 1.728 1.00 0.00 N ATOM 0 H GLN A 45 -3.555 -23.899 -1.711 1.00 0.00 H new ATOM 0 HA GLN A 45 -3.084 -26.483 -0.615 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.890 -24.147 0.165 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.725 -25.589 1.147 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.171 -24.280 0.231 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.099 -23.425 1.447 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.657 -26.672 0.739 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.424 -27.094 2.439 1.00 0.00 H new ATOM 744 N LYS A 46 -5.714 -26.153 -2.387 1.00 0.00 N ATOM 745 CA LYS A 46 -6.904 -26.824 -2.901 1.00 0.00 C ATOM 746 C LYS A 46 -6.513 -28.013 -3.772 1.00 0.00 C ATOM 747 O LYS A 46 -7.083 -29.097 -3.654 1.00 0.00 O ATOM 748 CB LYS A 46 -7.745 -25.843 -3.720 1.00 0.00 C ATOM 749 CG LYS A 46 -9.124 -26.451 -3.986 1.00 0.00 C ATOM 750 CD LYS A 46 -9.878 -25.586 -4.998 1.00 0.00 C ATOM 751 CE LYS A 46 -11.149 -26.309 -5.442 1.00 0.00 C ATOM 752 NZ LYS A 46 -11.979 -25.391 -6.274 1.00 0.00 N ATOM 0 H LYS A 46 -5.392 -25.366 -2.950 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.489 -27.184 -2.055 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.849 -24.900 -3.183 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.246 -25.619 -4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.018 -27.466 -4.368 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.689 -26.517 -3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.131 -24.624 -4.552 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.244 -25.381 -5.860 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.892 -27.201 -6.013 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.715 -26.639 -4.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.844 -25.883 -6.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.235 -24.552 -5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.438 -25.097 -7.112 1.00 0.00 H new ATOM 766 N ILE A 47 -5.536 -27.802 -4.651 1.00 0.00 N ATOM 767 CA ILE A 47 -5.079 -28.864 -5.539 1.00 0.00 C ATOM 768 C ILE A 47 -3.996 -29.700 -4.865 1.00 0.00 C ATOM 769 O ILE A 47 -3.838 -30.882 -5.164 1.00 0.00 O ATOM 770 CB ILE A 47 -4.528 -28.260 -6.833 1.00 0.00 C ATOM 771 CG1 ILE A 47 -4.593 -29.306 -7.949 1.00 0.00 C ATOM 772 CG2 ILE A 47 -3.075 -27.833 -6.620 1.00 0.00 C ATOM 773 CD1 ILE A 47 -3.788 -28.815 -9.153 1.00 0.00 C ATOM 0 H ILE A 47 -5.050 -26.913 -4.766 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.927 -29.509 -5.770 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.124 -27.391 -7.111 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.195 -30.257 -7.595 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.629 -29.482 -8.238 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.683 -27.403 -7.542 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.027 -27.090 -5.824 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.478 -28.701 -6.342 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.833 -29.559 -9.949 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.206 -27.874 -9.511 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.750 -28.661 -8.858 1.00 0.00 H new ATOM 785 N TRP A 48 -3.254 -29.076 -3.953 1.00 0.00 N ATOM 786 CA TRP A 48 -2.187 -29.772 -3.241 1.00 0.00 C ATOM 787 C TRP A 48 -2.254 -29.463 -1.746 1.00 0.00 C ATOM 788 O TRP A 48 -1.397 -28.764 -1.204 1.00 0.00 O ATOM 789 CB TRP A 48 -0.827 -29.346 -3.796 1.00 0.00 C ATOM 790 CG TRP A 48 0.187 -30.399 -3.479 1.00 0.00 C ATOM 791 CD1 TRP A 48 1.101 -30.321 -2.485 1.00 0.00 C ATOM 792 CD2 TRP A 48 0.407 -31.678 -4.139 1.00 0.00 C ATOM 793 NE1 TRP A 48 1.868 -31.472 -2.492 1.00 0.00 N ATOM 794 CE2 TRP A 48 1.480 -32.339 -3.494 1.00 0.00 C ATOM 795 CE3 TRP A 48 -0.212 -32.323 -5.224 1.00 0.00 C ATOM 796 CZ2 TRP A 48 1.921 -33.596 -3.911 1.00 0.00 C ATOM 797 CZ3 TRP A 48 0.230 -33.587 -5.648 1.00 0.00 C ATOM 798 CH2 TRP A 48 1.295 -34.222 -4.991 1.00 0.00 C ATOM 0 H TRP A 48 -3.371 -28.097 -3.691 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.315 -30.845 -3.384 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.891 -29.199 -4.874 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.526 -28.393 -3.362 1.00 0.00 H new ATOM 0 HD1 TRP A 48 1.214 -29.495 -1.798 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.627 -31.658 -1.837 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.033 -31.843 -5.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.741 -34.081 -3.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.252 -34.072 -6.484 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.630 -35.194 -5.320 1.00 0.00 H new ATOM 809 N PRO A 49 -3.256 -29.969 -1.081 1.00 0.00 N ATOM 810 CA PRO A 49 -3.447 -29.744 0.382 1.00 0.00 C ATOM 811 C PRO A 49 -2.163 -29.981 1.173 1.00 0.00 C ATOM 812 O PRO A 49 -2.095 -29.524 2.301 1.00 0.00 O ATOM 813 CB PRO A 49 -4.523 -30.761 0.766 1.00 0.00 C ATOM 814 CG PRO A 49 -5.289 -31.020 -0.488 1.00 0.00 C ATOM 815 CD PRO A 49 -4.318 -30.813 -1.649 1.00 0.00 C ATOM 816 OXT PRO A 49 -1.270 -30.617 0.638 1.00 0.00 O ATOM 0 HA PRO A 49 -3.728 -28.715 0.606 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.077 -31.678 1.151 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.172 -30.369 1.549 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.689 -32.034 -0.494 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.139 -30.342 -0.569 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.922 -31.762 -2.012 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.805 -30.326 -2.494 1.00 0.00 H new TER 824 PRO A 49