USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 578 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 GLN :FLIP amide:sc= 0 X(o=-0.21,f=0) USER MOD Set 1.2: A 67 GLN :FLIP amide:sc= 0 X(o=-0.05,f=0) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= -0.725 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0175 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= 0 (180deg=-0.171) USER MOD Single : A 6 MET CE :methyl 148:sc= -5.51! (180deg=-9.17!) USER MOD Single : A 17 LYS NZ :NH3+ -112:sc= -2.3! (180deg=-4.44!) USER MOD Single : A 19 HIS : no HD1:sc= -0.0401 X(o=-0.04,f=-0.23) USER MOD Single : A 20 GLN : amide:sc= -1.55 X(o=-1.6,f=-1.8) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= -0.395 (180deg=-0.483) USER MOD Single : A 28 HIS : no HD1:sc= -0.418 X(o=-0.42,f=-0.13) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.051) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.41 X(o=-0.41,f=-0.14) USER MOD Single : A 34 THR OG1 : rot 28:sc= 0.766 USER MOD Single : A 38 HIS : no HD1:sc= -1.14 X(o=-1.1,f=-1.4) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.552 F(o=-1.3,f=-0.55) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -67:sc= 0.54 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.517 -2.900 -0.278 1.00 0.00 N ATOM 2 CA MET A 1 1.413 -3.843 -0.938 1.00 0.00 C ATOM 3 C MET A 1 0.651 -4.710 -1.935 1.00 0.00 C ATOM 4 O MET A 1 0.735 -5.937 -1.896 1.00 0.00 O ATOM 5 CB MET A 1 2.108 -4.728 0.098 1.00 0.00 C ATOM 6 CG MET A 1 1.153 -5.358 1.099 1.00 0.00 C ATOM 7 SD MET A 1 1.817 -6.859 1.844 1.00 0.00 S ATOM 8 CE MET A 1 2.185 -6.281 3.499 1.00 0.00 C ATOM 0 H1 MET A 1 1.011 -2.453 0.521 1.00 0.00 H new ATOM 0 H2 MET A 1 0.222 -2.168 -0.956 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.322 -3.405 0.072 1.00 0.00 H new ATOM 0 HA MET A 1 2.166 -3.272 -1.481 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.653 -5.518 -0.418 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.845 -4.132 0.637 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.928 -4.636 1.884 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.212 -5.590 0.601 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.605 -7.099 4.085 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.905 -5.465 3.447 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.269 -5.928 3.973 1.00 0.00 H new ATOM 18 N ASP A 2 -0.091 -4.064 -2.828 1.00 0.00 N ATOM 19 CA ASP A 2 -0.867 -4.776 -3.836 1.00 0.00 C ATOM 20 C ASP A 2 -0.312 -4.516 -5.233 1.00 0.00 C ATOM 21 O ASP A 2 -1.044 -4.117 -6.138 1.00 0.00 O ATOM 22 CB ASP A 2 -2.336 -4.355 -3.771 1.00 0.00 C ATOM 23 CG ASP A 2 -2.502 -2.881 -3.461 1.00 0.00 C ATOM 24 OD1 ASP A 2 -2.471 -2.519 -2.266 1.00 0.00 O ATOM 25 OD2 ASP A 2 -2.665 -2.088 -4.412 1.00 0.00 O ATOM 0 H ASP A 2 -0.171 -3.048 -2.874 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.793 -5.843 -3.628 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.818 -4.580 -4.723 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.846 -4.943 -3.008 1.00 0.00 H new ATOM 30 N ARG A 3 0.987 -4.745 -5.400 1.00 0.00 N ATOM 31 CA ARG A 3 1.641 -4.534 -6.685 1.00 0.00 C ATOM 32 C ARG A 3 1.543 -5.782 -7.557 1.00 0.00 C ATOM 33 O ARG A 3 1.568 -6.906 -7.054 1.00 0.00 O ATOM 34 CB ARG A 3 3.109 -4.157 -6.479 1.00 0.00 C ATOM 35 CG ARG A 3 3.304 -2.895 -5.654 1.00 0.00 C ATOM 36 CD ARG A 3 4.752 -2.433 -5.677 1.00 0.00 C ATOM 37 NE ARG A 3 4.924 -1.139 -5.021 1.00 0.00 N ATOM 38 CZ ARG A 3 4.992 -0.987 -3.703 1.00 0.00 C ATOM 39 NH1 ARG A 3 4.904 -2.042 -2.905 1.00 0.00 N ATOM 40 NH2 ARG A 3 5.150 0.223 -3.181 1.00 0.00 N ATOM 0 H ARG A 3 1.607 -5.077 -4.661 1.00 0.00 H new ATOM 0 HA ARG A 3 1.131 -3.716 -7.193 1.00 0.00 H new ATOM 0 HB2 ARG A 3 3.622 -4.984 -5.989 1.00 0.00 H new ATOM 0 HB3 ARG A 3 3.580 -4.021 -7.452 1.00 0.00 H new ATOM 0 HG2 ARG A 3 2.662 -2.103 -6.041 1.00 0.00 H new ATOM 0 HG3 ARG A 3 2.996 -3.081 -4.625 1.00 0.00 H new ATOM 0 HD2 ARG A 3 5.378 -3.176 -5.183 1.00 0.00 H new ATOM 0 HD3 ARG A 3 5.094 -2.364 -6.710 1.00 0.00 H new ATOM 0 HE ARG A 3 4.996 -0.307 -5.607 1.00 0.00 H new ATOM 0 HH11 ARG A 3 4.784 -2.974 -3.303 1.00 0.00 H new ATOM 0 HH12 ARG A 3 4.957 -1.922 -1.893 1.00 0.00 H new ATOM 0 HH21 ARG A 3 5.219 1.037 -3.792 1.00 0.00 H new ATOM 0 HH22 ARG A 3 5.202 0.339 -2.169 1.00 0.00 H new ATOM 54 N ILE A 4 1.430 -5.576 -8.865 1.00 0.00 N ATOM 55 CA ILE A 4 1.329 -6.685 -9.806 1.00 0.00 C ATOM 56 C ILE A 4 2.406 -6.594 -10.881 1.00 0.00 C ATOM 57 O ILE A 4 2.349 -5.734 -11.761 1.00 0.00 O ATOM 58 CB ILE A 4 -0.054 -6.724 -10.483 1.00 0.00 C ATOM 59 CG1 ILE A 4 -1.156 -6.872 -9.433 1.00 0.00 C ATOM 60 CG2 ILE A 4 -0.119 -7.862 -11.491 1.00 0.00 C ATOM 61 CD1 ILE A 4 -2.503 -6.360 -9.893 1.00 0.00 C ATOM 0 H ILE A 4 1.406 -4.652 -9.297 1.00 0.00 H new ATOM 0 HA ILE A 4 1.470 -7.600 -9.231 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.208 -5.785 -11.014 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.249 -7.924 -9.162 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -0.861 -6.336 -8.531 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.102 -7.876 -11.961 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.646 -7.716 -12.254 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.053 -8.810 -10.981 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.235 -6.497 -9.097 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.426 -5.300 -10.136 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.820 -6.913 -10.777 1.00 0.00 H new ATOM 73 N PHE A 5 3.387 -7.487 -10.806 1.00 0.00 N ATOM 74 CA PHE A 5 4.478 -7.508 -11.773 1.00 0.00 C ATOM 75 C PHE A 5 4.106 -8.344 -12.994 1.00 0.00 C ATOM 76 O PHE A 5 3.775 -9.524 -12.875 1.00 0.00 O ATOM 77 CB PHE A 5 5.749 -8.065 -11.128 1.00 0.00 C ATOM 78 CG PHE A 5 6.354 -7.146 -10.105 1.00 0.00 C ATOM 79 CD1 PHE A 5 6.527 -5.800 -10.381 1.00 0.00 C ATOM 80 CD2 PHE A 5 6.749 -7.629 -8.868 1.00 0.00 C ATOM 81 CE1 PHE A 5 7.084 -4.952 -9.442 1.00 0.00 C ATOM 82 CE2 PHE A 5 7.306 -6.787 -7.925 1.00 0.00 C ATOM 83 CZ PHE A 5 7.473 -5.446 -8.212 1.00 0.00 C ATOM 0 H PHE A 5 3.449 -8.206 -10.085 1.00 0.00 H new ATOM 0 HA PHE A 5 4.662 -6.484 -12.098 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.519 -9.020 -10.656 1.00 0.00 H new ATOM 0 HB3 PHE A 5 6.485 -8.264 -11.907 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.223 -5.408 -11.341 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.620 -8.676 -8.638 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.215 -3.904 -9.670 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.610 -7.177 -6.965 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.907 -4.785 -7.476 1.00 0.00 H new ATOM 93 N MET A 6 4.162 -7.724 -14.168 1.00 0.00 N ATOM 94 CA MET A 6 3.831 -8.410 -15.412 1.00 0.00 C ATOM 95 C MET A 6 4.837 -8.067 -16.506 1.00 0.00 C ATOM 96 O MET A 6 5.342 -6.946 -16.571 1.00 0.00 O ATOM 97 CB MET A 6 2.419 -8.036 -15.866 1.00 0.00 C ATOM 98 CG MET A 6 1.333 -8.901 -15.248 1.00 0.00 C ATOM 99 SD MET A 6 -0.321 -8.437 -15.797 1.00 0.00 S ATOM 100 CE MET A 6 -0.754 -7.209 -14.567 1.00 0.00 C ATOM 0 H MET A 6 4.433 -6.748 -14.284 1.00 0.00 H new ATOM 0 HA MET A 6 3.873 -9.484 -15.228 1.00 0.00 H new ATOM 0 HB2 MET A 6 2.229 -6.993 -15.613 1.00 0.00 H new ATOM 0 HB3 MET A 6 2.362 -8.116 -16.952 1.00 0.00 H new ATOM 0 HG2 MET A 6 1.517 -9.945 -15.503 1.00 0.00 H new ATOM 0 HG3 MET A 6 1.386 -8.824 -14.162 1.00 0.00 H new ATOM 0 HE1 MET A 6 -1.402 -6.456 -15.017 1.00 0.00 H new ATOM 0 HE2 MET A 6 -1.277 -7.690 -13.741 1.00 0.00 H new ATOM 0 HE3 MET A 6 0.152 -6.732 -14.194 1.00 0.00 H new ATOM 110 N THR A 7 5.126 -9.041 -17.364 1.00 0.00 N ATOM 111 CA THR A 7 6.073 -8.842 -18.454 1.00 0.00 C ATOM 112 C THR A 7 5.385 -8.251 -19.679 1.00 0.00 C ATOM 113 O THR A 7 4.185 -7.974 -19.656 1.00 0.00 O ATOM 114 CB THR A 7 6.757 -10.164 -18.852 1.00 0.00 C ATOM 115 OG1 THR A 7 5.834 -10.999 -19.560 1.00 0.00 O ATOM 116 CG2 THR A 7 7.272 -10.898 -17.623 1.00 0.00 C ATOM 0 H THR A 7 4.718 -9.975 -17.325 1.00 0.00 H new ATOM 0 HA THR A 7 6.829 -8.144 -18.093 1.00 0.00 H new ATOM 0 HB THR A 7 7.604 -9.930 -19.497 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.277 -11.837 -19.811 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.751 -11.828 -17.929 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.996 -10.272 -17.102 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.439 -11.121 -16.957 1.00 0.00 H new ATOM 124 N ARG A 8 6.151 -8.061 -20.748 1.00 0.00 N ATOM 125 CA ARG A 8 5.614 -7.502 -21.983 1.00 0.00 C ATOM 126 C ARG A 8 4.360 -8.253 -22.420 1.00 0.00 C ATOM 127 O ARG A 8 3.346 -7.644 -22.763 1.00 0.00 O ATOM 128 CB ARG A 8 6.667 -7.557 -23.093 1.00 0.00 C ATOM 129 CG ARG A 8 7.292 -8.931 -23.271 1.00 0.00 C ATOM 130 CD ARG A 8 8.528 -8.869 -24.154 1.00 0.00 C ATOM 131 NE ARG A 8 8.204 -9.064 -25.565 1.00 0.00 N ATOM 132 CZ ARG A 8 9.063 -8.844 -26.554 1.00 0.00 C ATOM 133 NH1 ARG A 8 10.292 -8.424 -26.288 1.00 0.00 N ATOM 134 NH2 ARG A 8 8.693 -9.044 -27.812 1.00 0.00 N ATOM 0 H ARG A 8 7.145 -8.286 -20.784 1.00 0.00 H new ATOM 0 HA ARG A 8 5.347 -6.462 -21.795 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.208 -7.251 -24.033 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.453 -6.835 -22.873 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.560 -9.340 -22.296 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.562 -9.610 -23.712 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.018 -7.904 -24.025 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.239 -9.632 -23.837 1.00 0.00 H new ATOM 0 HE ARG A 8 7.266 -9.387 -25.804 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.580 -8.269 -25.322 1.00 0.00 H new ATOM 0 HH12 ARG A 8 10.950 -8.256 -27.049 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.748 -9.367 -28.021 1.00 0.00 H new ATOM 0 HH22 ARG A 8 9.353 -8.875 -28.571 1.00 0.00 H new ATOM 148 N THR A 9 4.436 -9.580 -22.406 1.00 0.00 N ATOM 149 CA THR A 9 3.308 -10.414 -22.802 1.00 0.00 C ATOM 150 C THR A 9 2.175 -10.326 -21.786 1.00 0.00 C ATOM 151 O THR A 9 1.017 -10.126 -22.150 1.00 0.00 O ATOM 152 CB THR A 9 3.727 -11.888 -22.959 1.00 0.00 C ATOM 153 OG1 THR A 9 4.588 -12.270 -21.881 1.00 0.00 O ATOM 154 CG2 THR A 9 4.438 -12.109 -24.286 1.00 0.00 C ATOM 0 H THR A 9 5.267 -10.100 -22.125 1.00 0.00 H new ATOM 0 HA THR A 9 2.960 -10.038 -23.764 1.00 0.00 H new ATOM 0 HB THR A 9 2.827 -12.503 -22.940 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.849 -13.209 -21.987 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.725 -13.157 -24.375 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.770 -11.845 -25.105 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.330 -11.484 -24.329 1.00 0.00 H new ATOM 162 N GLU A 10 2.518 -10.475 -20.510 1.00 0.00 N ATOM 163 CA GLU A 10 1.528 -10.412 -19.441 1.00 0.00 C ATOM 164 C GLU A 10 0.840 -9.050 -19.417 1.00 0.00 C ATOM 165 O GLU A 10 -0.245 -8.901 -18.856 1.00 0.00 O ATOM 166 CB GLU A 10 2.187 -10.687 -18.088 1.00 0.00 C ATOM 167 CG GLU A 10 3.016 -11.960 -18.063 1.00 0.00 C ATOM 168 CD GLU A 10 2.232 -13.176 -18.518 1.00 0.00 C ATOM 169 OE1 GLU A 10 2.202 -13.440 -19.738 1.00 0.00 O ATOM 170 OE2 GLU A 10 1.649 -13.863 -17.653 1.00 0.00 O ATOM 0 H GLU A 10 3.473 -10.640 -20.192 1.00 0.00 H new ATOM 0 HA GLU A 10 0.775 -11.177 -19.632 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.825 -9.843 -17.826 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.413 -10.752 -17.323 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.888 -11.834 -18.705 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.386 -12.128 -17.052 1.00 0.00 H new ATOM 177 N ALA A 11 1.480 -8.059 -20.029 1.00 0.00 N ATOM 178 CA ALA A 11 0.930 -6.710 -20.079 1.00 0.00 C ATOM 179 C ALA A 11 -0.522 -6.726 -20.543 1.00 0.00 C ATOM 180 O ALA A 11 -1.320 -5.874 -20.149 1.00 0.00 O ATOM 181 CB ALA A 11 1.770 -5.832 -20.995 1.00 0.00 C ATOM 0 H ALA A 11 2.380 -8.165 -20.497 1.00 0.00 H new ATOM 0 HA ALA A 11 0.957 -6.295 -19.071 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.348 -4.827 -21.023 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.792 -5.786 -20.618 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.773 -6.253 -22.000 1.00 0.00 H new ATOM 187 N LEU A 12 -0.859 -7.699 -21.382 1.00 0.00 N ATOM 188 CA LEU A 12 -2.217 -7.825 -21.901 1.00 0.00 C ATOM 189 C LEU A 12 -3.238 -7.800 -20.768 1.00 0.00 C ATOM 190 O LEU A 12 -4.282 -7.159 -20.876 1.00 0.00 O ATOM 191 CB LEU A 12 -2.359 -9.121 -22.703 1.00 0.00 C ATOM 192 CG LEU A 12 -1.365 -9.314 -23.848 1.00 0.00 C ATOM 193 CD1 LEU A 12 -1.067 -10.791 -24.053 1.00 0.00 C ATOM 194 CD2 LEU A 12 -1.902 -8.693 -25.130 1.00 0.00 C ATOM 0 H LEU A 12 -0.211 -8.412 -21.718 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.409 -6.976 -22.557 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.260 -9.962 -22.017 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.368 -9.162 -23.114 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.435 -8.810 -23.585 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.358 -10.909 -24.872 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.640 -11.206 -23.140 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.990 -11.318 -24.294 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.182 -8.840 -25.935 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.846 -9.168 -25.397 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.063 -7.626 -24.978 1.00 0.00 H new ATOM 206 N GLU A 13 -2.926 -8.500 -19.682 1.00 0.00 N ATOM 207 CA GLU A 13 -3.816 -8.556 -18.529 1.00 0.00 C ATOM 208 C GLU A 13 -3.921 -7.191 -17.855 1.00 0.00 C ATOM 209 O GLU A 13 -4.970 -6.827 -17.324 1.00 0.00 O ATOM 210 CB GLU A 13 -3.319 -9.596 -17.523 1.00 0.00 C ATOM 211 CG GLU A 13 -4.407 -10.534 -17.029 1.00 0.00 C ATOM 212 CD GLU A 13 -4.762 -11.602 -18.045 1.00 0.00 C ATOM 213 OE1 GLU A 13 -3.836 -12.156 -18.672 1.00 0.00 O ATOM 214 OE2 GLU A 13 -5.968 -11.884 -18.212 1.00 0.00 O ATOM 0 H GLU A 13 -2.064 -9.036 -19.577 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.806 -8.845 -18.881 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.525 -10.184 -17.984 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.879 -9.081 -16.669 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.078 -11.011 -16.106 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.299 -9.955 -16.789 1.00 0.00 H new ATOM 221 N PHE A 14 -2.825 -6.439 -17.881 1.00 0.00 N ATOM 222 CA PHE A 14 -2.792 -5.115 -17.272 1.00 0.00 C ATOM 223 C PHE A 14 -3.692 -4.144 -18.032 1.00 0.00 C ATOM 224 O PHE A 14 -4.504 -3.436 -17.435 1.00 0.00 O ATOM 225 CB PHE A 14 -1.359 -4.580 -17.241 1.00 0.00 C ATOM 226 CG PHE A 14 -1.269 -3.125 -16.879 1.00 0.00 C ATOM 227 CD1 PHE A 14 -2.017 -2.610 -15.833 1.00 0.00 C ATOM 228 CD2 PHE A 14 -0.437 -2.272 -17.586 1.00 0.00 C ATOM 229 CE1 PHE A 14 -1.937 -1.272 -15.499 1.00 0.00 C ATOM 230 CE2 PHE A 14 -0.353 -0.932 -17.257 1.00 0.00 C ATOM 231 CZ PHE A 14 -1.103 -0.432 -16.211 1.00 0.00 C ATOM 0 H PHE A 14 -1.948 -6.724 -18.317 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.162 -5.203 -16.251 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.778 -5.161 -16.524 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.902 -4.732 -18.219 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.670 -3.262 -15.272 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.153 -2.659 -18.404 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.526 -0.883 -14.682 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.298 -0.277 -17.817 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.038 0.614 -15.950 1.00 0.00 H new ATOM 241 N LEU A 15 -3.542 -4.118 -19.351 1.00 0.00 N ATOM 242 CA LEU A 15 -4.340 -3.234 -20.194 1.00 0.00 C ATOM 243 C LEU A 15 -5.785 -3.717 -20.275 1.00 0.00 C ATOM 244 O LEU A 15 -6.707 -2.922 -20.460 1.00 0.00 O ATOM 245 CB LEU A 15 -3.738 -3.155 -21.598 1.00 0.00 C ATOM 246 CG LEU A 15 -3.545 -4.488 -22.322 1.00 0.00 C ATOM 247 CD1 LEU A 15 -4.848 -4.939 -22.966 1.00 0.00 C ATOM 248 CD2 LEU A 15 -2.444 -4.374 -23.367 1.00 0.00 C ATOM 0 H LEU A 15 -2.876 -4.698 -19.860 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.332 -2.241 -19.745 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.379 -2.521 -22.211 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.770 -2.658 -21.529 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.246 -5.237 -21.589 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.692 -5.889 -23.477 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.611 -5.062 -22.197 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.176 -4.190 -23.686 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.321 -5.332 -23.872 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.713 -3.611 -24.097 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.508 -4.097 -22.881 1.00 0.00 H new ATOM 260 N LEU A 16 -5.975 -5.024 -20.133 1.00 0.00 N ATOM 261 CA LEU A 16 -7.308 -5.614 -20.188 1.00 0.00 C ATOM 262 C LEU A 16 -8.044 -5.419 -18.866 1.00 0.00 C ATOM 263 O LEU A 16 -9.264 -5.259 -18.840 1.00 0.00 O ATOM 264 CB LEU A 16 -7.215 -7.105 -20.517 1.00 0.00 C ATOM 265 CG LEU A 16 -8.543 -7.826 -20.745 1.00 0.00 C ATOM 266 CD1 LEU A 16 -9.132 -7.447 -22.095 1.00 0.00 C ATOM 267 CD2 LEU A 16 -8.356 -9.333 -20.647 1.00 0.00 C ATOM 0 H LEU A 16 -5.223 -5.696 -19.979 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.869 -5.109 -20.974 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.603 -7.222 -21.411 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.689 -7.604 -19.703 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.241 -7.515 -19.967 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.077 -7.970 -22.239 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.304 -6.371 -22.128 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.437 -7.728 -22.887 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.312 -9.830 -20.812 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.642 -9.661 -21.402 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.980 -9.589 -19.656 1.00 0.00 H new ATOM 279 N LYS A 17 -7.293 -5.430 -17.769 1.00 0.00 N ATOM 280 CA LYS A 17 -7.872 -5.251 -16.443 1.00 0.00 C ATOM 281 C LYS A 17 -7.987 -3.770 -16.095 1.00 0.00 C ATOM 282 O LYS A 17 -8.860 -3.370 -15.326 1.00 0.00 O ATOM 283 CB LYS A 17 -7.023 -5.968 -15.392 1.00 0.00 C ATOM 284 CG LYS A 17 -5.753 -5.222 -15.023 1.00 0.00 C ATOM 285 CD LYS A 17 -4.888 -6.029 -14.070 1.00 0.00 C ATOM 286 CE LYS A 17 -5.621 -6.329 -12.771 1.00 0.00 C ATOM 287 NZ LYS A 17 -4.795 -7.153 -11.846 1.00 0.00 N ATOM 0 H LYS A 17 -6.281 -5.561 -17.773 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.872 -5.684 -16.450 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.621 -6.116 -14.493 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.758 -6.957 -15.765 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.187 -4.997 -15.927 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.011 -4.268 -14.562 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.593 -6.964 -14.547 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.972 -5.479 -13.854 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.890 -5.393 -12.281 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.551 -6.853 -12.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.218 -8.099 -11.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.831 -7.241 -12.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.759 -6.696 -10.912 1.00 0.00 H new ATOM 301 N ALA A 18 -7.101 -2.962 -16.668 1.00 0.00 N ATOM 302 CA ALA A 18 -7.106 -1.526 -16.421 1.00 0.00 C ATOM 303 C ALA A 18 -8.489 -0.931 -16.665 1.00 0.00 C ATOM 304 O ALA A 18 -8.922 -0.027 -15.950 1.00 0.00 O ATOM 305 CB ALA A 18 -6.070 -0.836 -17.297 1.00 0.00 C ATOM 0 H ALA A 18 -6.371 -3.278 -17.306 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.849 -1.362 -15.375 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.085 0.236 -17.102 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.080 -1.232 -17.071 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.302 -1.017 -18.346 1.00 0.00 H new ATOM 311 N HIS A 19 -9.177 -1.443 -17.680 1.00 0.00 N ATOM 312 CA HIS A 19 -10.512 -0.962 -18.019 1.00 0.00 C ATOM 313 C HIS A 19 -11.554 -1.534 -17.063 1.00 0.00 C ATOM 314 O HIS A 19 -12.477 -0.835 -16.646 1.00 0.00 O ATOM 315 CB HIS A 19 -10.863 -1.338 -19.459 1.00 0.00 C ATOM 316 CG HIS A 19 -11.882 -0.435 -20.082 1.00 0.00 C ATOM 317 ND1 HIS A 19 -11.782 0.940 -20.063 1.00 0.00 N ATOM 318 CD2 HIS A 19 -13.027 -0.718 -20.747 1.00 0.00 C ATOM 319 CE1 HIS A 19 -12.822 1.464 -20.687 1.00 0.00 C ATOM 320 NE2 HIS A 19 -13.592 0.479 -21.113 1.00 0.00 N ATOM 0 H HIS A 19 -8.833 -2.191 -18.282 1.00 0.00 H new ATOM 0 HA HIS A 19 -10.515 0.124 -17.925 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -9.955 -1.319 -20.062 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -11.237 -2.362 -19.478 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -13.422 -1.702 -20.952 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -13.010 2.518 -20.825 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -14.464 0.589 -21.630 1.00 0.00 H new ATOM 328 N GLN A 20 -11.400 -2.810 -16.722 1.00 0.00 N ATOM 329 CA GLN A 20 -12.330 -3.475 -15.816 1.00 0.00 C ATOM 330 C GLN A 20 -12.450 -2.711 -14.502 1.00 0.00 C ATOM 331 O GLN A 20 -13.550 -2.513 -13.985 1.00 0.00 O ATOM 332 CB GLN A 20 -11.872 -4.909 -15.546 1.00 0.00 C ATOM 333 CG GLN A 20 -12.957 -5.791 -14.948 1.00 0.00 C ATOM 334 CD GLN A 20 -13.284 -5.423 -13.514 1.00 0.00 C ATOM 335 OE1 GLN A 20 -14.406 -5.021 -13.205 1.00 0.00 O ATOM 336 NE2 GLN A 20 -12.303 -5.559 -12.630 1.00 0.00 N ATOM 0 H GLN A 20 -10.641 -3.403 -17.059 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.310 -3.497 -16.292 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.527 -5.354 -16.480 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.018 -4.888 -14.869 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -13.859 -5.712 -15.554 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -12.637 -6.832 -14.988 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.388 -5.896 -12.931 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.464 -5.327 -11.650 1.00 0.00 H new ATOM 345 N THR A 21 -11.312 -2.284 -13.965 1.00 0.00 N ATOM 346 CA THR A 21 -11.290 -1.543 -12.710 1.00 0.00 C ATOM 347 C THR A 21 -11.905 -0.158 -12.878 1.00 0.00 C ATOM 348 O THR A 21 -12.728 0.268 -12.068 1.00 0.00 O ATOM 349 CB THR A 21 -9.854 -1.392 -12.172 1.00 0.00 C ATOM 350 OG1 THR A 21 -9.173 -2.650 -12.233 1.00 0.00 O ATOM 351 CG2 THR A 21 -9.864 -0.885 -10.738 1.00 0.00 C ATOM 0 H THR A 21 -10.393 -2.439 -14.380 1.00 0.00 H new ATOM 0 HA THR A 21 -11.880 -2.116 -11.995 1.00 0.00 H new ATOM 0 HB THR A 21 -9.331 -0.666 -12.794 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.261 -2.545 -11.891 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.839 -0.786 -10.380 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.357 0.086 -10.699 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.403 -1.591 -10.106 1.00 0.00 H new ATOM 359 N ALA A 22 -11.502 0.539 -13.935 1.00 0.00 N ATOM 360 CA ALA A 22 -12.017 1.875 -14.210 1.00 0.00 C ATOM 361 C ALA A 22 -13.539 1.868 -14.304 1.00 0.00 C ATOM 362 O ALA A 22 -14.217 2.621 -13.605 1.00 0.00 O ATOM 363 CB ALA A 22 -11.409 2.421 -15.493 1.00 0.00 C ATOM 0 H ALA A 22 -10.821 0.201 -14.615 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.734 2.525 -13.382 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.802 3.419 -15.686 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.325 2.472 -15.389 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.663 1.764 -16.325 1.00 0.00 H new ATOM 369 N VAL A 23 -14.070 1.014 -15.173 1.00 0.00 N ATOM 370 CA VAL A 23 -15.512 0.909 -15.358 1.00 0.00 C ATOM 371 C VAL A 23 -16.223 0.692 -14.027 1.00 0.00 C ATOM 372 O VAL A 23 -17.349 1.150 -13.831 1.00 0.00 O ATOM 373 CB VAL A 23 -15.873 -0.244 -16.314 1.00 0.00 C ATOM 374 CG1 VAL A 23 -17.381 -0.345 -16.484 1.00 0.00 C ATOM 375 CG2 VAL A 23 -15.188 -0.054 -17.659 1.00 0.00 C ATOM 0 H VAL A 23 -13.523 0.385 -15.760 1.00 0.00 H new ATOM 0 HA VAL A 23 -15.844 1.851 -15.795 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.518 -1.178 -15.879 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -17.617 -1.165 -17.163 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -17.845 -0.531 -15.515 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -17.764 0.589 -16.896 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -15.454 -0.877 -18.322 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -15.511 0.888 -18.102 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.107 -0.036 -17.518 1.00 0.00 H new ATOM 385 N ASP A 24 -15.558 -0.008 -13.115 1.00 0.00 N ATOM 386 CA ASP A 24 -16.125 -0.285 -11.800 1.00 0.00 C ATOM 387 C ASP A 24 -16.282 1.001 -10.995 1.00 0.00 C ATOM 388 O ASP A 24 -17.236 1.156 -10.232 1.00 0.00 O ATOM 389 CB ASP A 24 -15.242 -1.274 -11.038 1.00 0.00 C ATOM 390 CG ASP A 24 -15.919 -1.814 -9.794 1.00 0.00 C ATOM 391 OD1 ASP A 24 -17.123 -2.140 -9.866 1.00 0.00 O ATOM 392 OD2 ASP A 24 -15.245 -1.912 -8.748 1.00 0.00 O ATOM 0 H ASP A 24 -14.625 -0.394 -13.262 1.00 0.00 H new ATOM 0 HA ASP A 24 -17.111 -0.726 -11.942 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.980 -2.104 -11.695 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.310 -0.783 -10.757 1.00 0.00 H new ATOM 397 N LYS A 25 -15.339 1.921 -11.168 1.00 0.00 N ATOM 398 CA LYS A 25 -15.371 3.194 -10.459 1.00 0.00 C ATOM 399 C LYS A 25 -16.468 4.098 -11.013 1.00 0.00 C ATOM 400 O LYS A 25 -17.000 4.951 -10.301 1.00 0.00 O ATOM 401 CB LYS A 25 -14.015 3.895 -10.565 1.00 0.00 C ATOM 402 CG LYS A 25 -13.054 3.533 -9.446 1.00 0.00 C ATOM 403 CD LYS A 25 -12.480 2.138 -9.633 1.00 0.00 C ATOM 404 CE LYS A 25 -11.645 1.713 -8.435 1.00 0.00 C ATOM 405 NZ LYS A 25 -10.447 2.579 -8.258 1.00 0.00 N ATOM 0 H LYS A 25 -14.542 1.808 -11.794 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.587 2.992 -9.410 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.558 3.641 -11.521 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.172 4.974 -10.563 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.242 4.260 -9.413 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.572 3.589 -8.488 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.292 1.426 -9.782 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.865 2.114 -10.533 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.257 1.751 -7.534 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.329 0.678 -8.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.970 2.334 -7.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.793 2.433 -9.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.741 3.576 -8.230 1.00 0.00 H new ATOM 419 N ILE A 26 -16.800 3.906 -12.285 1.00 0.00 N ATOM 420 CA ILE A 26 -17.835 4.703 -12.932 1.00 0.00 C ATOM 421 C ILE A 26 -19.210 4.398 -12.347 1.00 0.00 C ATOM 422 O ILE A 26 -20.122 5.220 -12.418 1.00 0.00 O ATOM 423 CB ILE A 26 -17.869 4.454 -14.451 1.00 0.00 C ATOM 424 CG1 ILE A 26 -16.489 4.707 -15.063 1.00 0.00 C ATOM 425 CG2 ILE A 26 -18.917 5.339 -15.110 1.00 0.00 C ATOM 426 CD1 ILE A 26 -16.401 4.341 -16.528 1.00 0.00 C ATOM 0 H ILE A 26 -16.368 3.206 -12.888 1.00 0.00 H new ATOM 0 HA ILE A 26 -17.589 5.749 -12.749 1.00 0.00 H new ATOM 0 HB ILE A 26 -18.138 3.413 -14.627 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -16.236 5.760 -14.944 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -15.744 4.136 -14.509 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -18.929 5.151 -16.184 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -19.898 5.114 -14.692 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -18.676 6.386 -14.927 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -15.395 4.547 -16.895 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -16.623 3.281 -16.652 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -17.121 4.931 -17.094 1.00 0.00 H new ATOM 438 N GLY A 27 -19.350 3.210 -11.767 1.00 0.00 N ATOM 439 CA GLY A 27 -20.617 2.818 -11.176 1.00 0.00 C ATOM 440 C GLY A 27 -21.509 2.080 -12.154 1.00 0.00 C ATOM 441 O GLY A 27 -22.732 2.086 -12.017 1.00 0.00 O ATOM 0 H GLY A 27 -18.609 2.512 -11.696 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.429 2.183 -10.310 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -21.136 3.706 -10.814 1.00 0.00 H new ATOM 445 N HIS A 28 -20.896 1.442 -13.147 1.00 0.00 N ATOM 446 CA HIS A 28 -21.643 0.696 -14.153 1.00 0.00 C ATOM 447 C HIS A 28 -22.277 -0.551 -13.545 1.00 0.00 C ATOM 448 O HIS A 28 -21.833 -1.066 -12.519 1.00 0.00 O ATOM 449 CB HIS A 28 -20.727 0.303 -15.312 1.00 0.00 C ATOM 450 CG HIS A 28 -20.641 1.343 -16.387 1.00 0.00 C ATOM 451 ND1 HIS A 28 -20.675 2.697 -16.128 1.00 0.00 N ATOM 452 CD2 HIS A 28 -20.520 1.221 -17.729 1.00 0.00 C ATOM 453 CE1 HIS A 28 -20.580 3.363 -17.265 1.00 0.00 C ATOM 454 NE2 HIS A 28 -20.485 2.490 -18.252 1.00 0.00 N ATOM 0 H HIS A 28 -19.884 1.427 -13.276 1.00 0.00 H new ATOM 0 HA HIS A 28 -22.438 1.339 -14.530 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -19.727 0.110 -14.924 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -21.086 -0.629 -15.748 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -20.462 0.297 -18.285 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -20.580 4.438 -17.370 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -20.400 2.721 -19.242 1.00 0.00 H new ATOM 462 N PRO A 29 -23.342 -1.049 -14.191 1.00 0.00 N ATOM 463 CA PRO A 29 -24.060 -2.242 -13.732 1.00 0.00 C ATOM 464 C PRO A 29 -23.238 -3.515 -13.902 1.00 0.00 C ATOM 465 O PRO A 29 -22.201 -3.511 -14.565 1.00 0.00 O ATOM 466 CB PRO A 29 -25.297 -2.280 -14.632 1.00 0.00 C ATOM 467 CG PRO A 29 -24.890 -1.552 -15.867 1.00 0.00 C ATOM 468 CD PRO A 29 -23.927 -0.487 -15.420 1.00 0.00 C ATOM 0 HA PRO A 29 -24.292 -2.194 -12.668 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -25.592 -3.305 -14.856 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -26.150 -1.800 -14.153 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -24.421 -2.228 -16.582 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -25.755 -1.113 -16.364 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -23.165 -0.292 -16.175 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -24.434 0.458 -15.228 1.00 0.00 H new ATOM 476 N SER A 30 -23.708 -4.603 -13.300 1.00 0.00 N ATOM 477 CA SER A 30 -23.014 -5.882 -13.383 1.00 0.00 C ATOM 478 C SER A 30 -23.843 -6.901 -14.160 1.00 0.00 C ATOM 479 O SER A 30 -23.661 -8.110 -14.011 1.00 0.00 O ATOM 480 CB SER A 30 -22.714 -6.415 -11.981 1.00 0.00 C ATOM 481 OG SER A 30 -23.907 -6.781 -11.308 1.00 0.00 O ATOM 0 H SER A 30 -24.567 -4.624 -12.750 1.00 0.00 H new ATOM 0 HA SER A 30 -22.075 -5.724 -13.913 1.00 0.00 H new ATOM 0 HB2 SER A 30 -22.053 -7.279 -12.051 1.00 0.00 H new ATOM 0 HB3 SER A 30 -22.186 -5.655 -11.405 1.00 0.00 H new ATOM 0 HG SER A 30 -23.688 -7.120 -10.415 1.00 0.00 H new ATOM 487 N HIS A 31 -24.755 -6.403 -14.989 1.00 0.00 N ATOM 488 CA HIS A 31 -25.613 -7.269 -15.791 1.00 0.00 C ATOM 489 C HIS A 31 -24.779 -8.188 -16.679 1.00 0.00 C ATOM 490 O HIS A 31 -23.582 -7.970 -16.865 1.00 0.00 O ATOM 491 CB HIS A 31 -26.559 -6.430 -16.650 1.00 0.00 C ATOM 492 CG HIS A 31 -27.824 -7.142 -17.019 1.00 0.00 C ATOM 493 ND1 HIS A 31 -28.299 -7.212 -18.312 1.00 0.00 N ATOM 494 CD2 HIS A 31 -28.712 -7.820 -16.256 1.00 0.00 C ATOM 495 CE1 HIS A 31 -29.426 -7.900 -18.327 1.00 0.00 C ATOM 496 NE2 HIS A 31 -29.699 -8.281 -17.092 1.00 0.00 N ATOM 0 H HIS A 31 -24.919 -5.405 -15.123 1.00 0.00 H new ATOM 0 HA HIS A 31 -26.202 -7.886 -15.112 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -26.810 -5.516 -16.112 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -26.041 -6.132 -17.561 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -28.655 -7.971 -15.188 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -30.023 -8.115 -19.201 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -30.511 -8.828 -16.806 1.00 0.00 H new ATOM 504 N LYS A 32 -25.420 -9.216 -17.224 1.00 0.00 N ATOM 505 CA LYS A 32 -24.739 -10.169 -18.093 1.00 0.00 C ATOM 506 C LYS A 32 -24.136 -9.466 -19.304 1.00 0.00 C ATOM 507 O LYS A 32 -24.606 -8.405 -19.715 1.00 0.00 O ATOM 508 CB LYS A 32 -25.713 -11.256 -18.553 1.00 0.00 C ATOM 509 CG LYS A 32 -25.026 -12.502 -19.086 1.00 0.00 C ATOM 510 CD LYS A 32 -26.017 -13.449 -19.740 1.00 0.00 C ATOM 511 CE LYS A 32 -25.310 -14.584 -20.465 1.00 0.00 C ATOM 512 NZ LYS A 32 -26.243 -15.693 -20.804 1.00 0.00 N ATOM 0 H LYS A 32 -26.411 -9.411 -17.079 1.00 0.00 H new ATOM 0 HA LYS A 32 -23.932 -10.630 -17.524 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -26.355 -11.534 -17.717 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -26.360 -10.848 -19.329 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -24.263 -12.216 -19.810 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -24.516 -13.014 -18.270 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -26.684 -13.860 -18.982 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -26.638 -12.897 -20.445 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -24.853 -14.202 -21.378 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -24.503 -14.967 -19.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -25.722 -16.446 -21.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -26.660 -16.075 -19.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -26.999 -15.334 -21.421 1.00 0.00 H new ATOM 526 N GLN A 33 -23.093 -10.064 -19.871 1.00 0.00 N ATOM 527 CA GLN A 33 -22.427 -9.494 -21.037 1.00 0.00 C ATOM 528 C GLN A 33 -23.407 -9.316 -22.191 1.00 0.00 C ATOM 529 O GLN A 33 -24.451 -9.967 -22.240 1.00 0.00 O ATOM 530 CB GLN A 33 -21.264 -10.387 -21.473 1.00 0.00 C ATOM 531 CG GLN A 33 -21.676 -11.819 -21.774 1.00 0.00 C ATOM 532 CD GLN A 33 -21.914 -12.059 -23.252 1.00 0.00 C ATOM 533 OE1 GLN A 33 -22.972 -12.545 -23.652 1.00 0.00 O ATOM 534 NE2 GLN A 33 -20.927 -11.719 -24.073 1.00 0.00 N ATOM 0 H GLN A 33 -22.691 -10.942 -19.543 1.00 0.00 H new ATOM 0 HA GLN A 33 -22.039 -8.514 -20.760 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -20.800 -9.957 -22.361 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -20.507 -10.393 -20.688 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -20.901 -12.498 -21.420 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -22.585 -12.056 -21.220 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -20.067 -11.319 -23.698 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -21.029 -11.858 -25.078 1.00 0.00 H new ATOM 543 N THR A 34 -23.065 -8.428 -23.120 1.00 0.00 N ATOM 544 CA THR A 34 -23.915 -8.163 -24.274 1.00 0.00 C ATOM 545 C THR A 34 -23.202 -8.512 -25.575 1.00 0.00 C ATOM 546 O THR A 34 -21.975 -8.598 -25.634 1.00 0.00 O ATOM 547 CB THR A 34 -24.352 -6.686 -24.322 1.00 0.00 C ATOM 548 OG1 THR A 34 -23.349 -5.859 -23.724 1.00 0.00 O ATOM 549 CG2 THR A 34 -25.676 -6.490 -23.598 1.00 0.00 C ATOM 0 H THR A 34 -22.205 -7.880 -23.095 1.00 0.00 H new ATOM 0 HA THR A 34 -24.798 -8.793 -24.167 1.00 0.00 H new ATOM 0 HB THR A 34 -24.481 -6.402 -25.366 1.00 0.00 H new ATOM 0 HG1 THR A 34 -22.472 -6.284 -23.825 1.00 0.00 H new ATOM 0 HG21 THR A 34 -25.964 -5.440 -23.645 1.00 0.00 H new ATOM 0 HG22 THR A 34 -26.445 -7.099 -24.074 1.00 0.00 H new ATOM 0 HG23 THR A 34 -25.569 -6.791 -22.556 1.00 0.00 H new ATOM 557 N PRO A 35 -23.985 -8.718 -26.644 1.00 0.00 N ATOM 558 CA PRO A 35 -23.449 -9.060 -27.964 1.00 0.00 C ATOM 559 C PRO A 35 -22.708 -7.893 -28.609 1.00 0.00 C ATOM 560 O PRO A 35 -21.925 -8.081 -29.539 1.00 0.00 O ATOM 561 CB PRO A 35 -24.699 -9.413 -28.774 1.00 0.00 C ATOM 562 CG PRO A 35 -25.805 -8.670 -28.107 1.00 0.00 C ATOM 563 CD PRO A 35 -25.455 -8.631 -26.645 1.00 0.00 C ATOM 0 HA PRO A 35 -22.717 -9.866 -27.910 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -24.593 -9.113 -29.817 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -24.884 -10.487 -28.769 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -25.899 -7.663 -28.513 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -26.761 -9.168 -28.266 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -25.804 -7.713 -26.173 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -25.907 -9.460 -26.101 1.00 0.00 H new ATOM 571 N ALA A 36 -22.962 -6.688 -28.109 1.00 0.00 N ATOM 572 CA ALA A 36 -22.317 -5.491 -28.635 1.00 0.00 C ATOM 573 C ALA A 36 -20.883 -5.374 -28.129 1.00 0.00 C ATOM 574 O ALA A 36 -20.038 -4.747 -28.770 1.00 0.00 O ATOM 575 CB ALA A 36 -23.115 -4.252 -28.257 1.00 0.00 C ATOM 0 H ALA A 36 -23.610 -6.515 -27.340 1.00 0.00 H new ATOM 0 HA ALA A 36 -22.286 -5.572 -29.722 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.622 -3.366 -28.656 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -24.120 -4.326 -28.672 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.176 -4.175 -27.171 1.00 0.00 H new ATOM 581 N ASP A 37 -20.615 -5.979 -26.977 1.00 0.00 N ATOM 582 CA ASP A 37 -19.282 -5.941 -26.386 1.00 0.00 C ATOM 583 C ASP A 37 -18.234 -6.434 -27.378 1.00 0.00 C ATOM 584 O ASP A 37 -17.069 -6.038 -27.315 1.00 0.00 O ATOM 585 CB ASP A 37 -19.241 -6.793 -25.116 1.00 0.00 C ATOM 586 CG ASP A 37 -19.818 -6.071 -23.915 1.00 0.00 C ATOM 587 OD1 ASP A 37 -19.313 -4.978 -23.582 1.00 0.00 O ATOM 588 OD2 ASP A 37 -20.773 -6.598 -23.307 1.00 0.00 O ATOM 0 H ASP A 37 -21.303 -6.501 -26.434 1.00 0.00 H new ATOM 0 HA ASP A 37 -19.054 -4.907 -26.129 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -19.797 -7.716 -25.283 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -18.210 -7.076 -24.905 1.00 0.00 H new ATOM 593 N HIS A 38 -18.654 -7.300 -28.295 1.00 0.00 N ATOM 594 CA HIS A 38 -17.751 -7.847 -29.301 1.00 0.00 C ATOM 595 C HIS A 38 -17.011 -6.731 -30.031 1.00 0.00 C ATOM 596 O HIS A 38 -15.833 -6.866 -30.362 1.00 0.00 O ATOM 597 CB HIS A 38 -18.527 -8.702 -30.303 1.00 0.00 C ATOM 598 CG HIS A 38 -17.682 -9.231 -31.421 1.00 0.00 C ATOM 599 ND1 HIS A 38 -17.524 -8.572 -32.622 1.00 0.00 N ATOM 600 CD2 HIS A 38 -16.944 -10.362 -31.513 1.00 0.00 C ATOM 601 CE1 HIS A 38 -16.727 -9.276 -33.406 1.00 0.00 C ATOM 602 NE2 HIS A 38 -16.361 -10.367 -32.757 1.00 0.00 N ATOM 0 H HIS A 38 -19.614 -7.638 -28.362 1.00 0.00 H new ATOM 0 HA HIS A 38 -17.017 -8.473 -28.793 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -18.984 -9.540 -29.776 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -19.339 -8.108 -30.722 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -16.834 -11.119 -30.751 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -16.426 -9.006 -34.407 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -15.746 -11.095 -33.120 1.00 0.00 H new ATOM 610 N ALA A 39 -17.710 -5.628 -30.280 1.00 0.00 N ATOM 611 CA ALA A 39 -17.119 -4.489 -30.970 1.00 0.00 C ATOM 612 C ALA A 39 -15.842 -4.028 -30.276 1.00 0.00 C ATOM 613 O ALA A 39 -14.951 -3.460 -30.907 1.00 0.00 O ATOM 614 CB ALA A 39 -18.120 -3.345 -31.052 1.00 0.00 C ATOM 0 H ALA A 39 -18.686 -5.500 -30.014 1.00 0.00 H new ATOM 0 HA ALA A 39 -16.858 -4.803 -31.981 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -17.666 -2.500 -31.570 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -19.004 -3.673 -31.599 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -18.408 -3.041 -30.046 1.00 0.00 H new ATOM 620 N ALA A 40 -15.761 -4.275 -28.972 1.00 0.00 N ATOM 621 CA ALA A 40 -14.592 -3.887 -28.193 1.00 0.00 C ATOM 622 C ALA A 40 -13.309 -4.406 -28.832 1.00 0.00 C ATOM 623 O ALA A 40 -12.254 -3.779 -28.726 1.00 0.00 O ATOM 624 CB ALA A 40 -14.717 -4.397 -26.765 1.00 0.00 C ATOM 0 H ALA A 40 -16.491 -4.742 -28.434 1.00 0.00 H new ATOM 0 HA ALA A 40 -14.543 -2.798 -28.175 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.837 -4.100 -26.194 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -15.609 -3.973 -26.304 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.795 -5.484 -26.772 1.00 0.00 H new ATOM 630 N ILE A 41 -13.405 -5.554 -29.494 1.00 0.00 N ATOM 631 CA ILE A 41 -12.251 -6.156 -30.151 1.00 0.00 C ATOM 632 C ILE A 41 -11.650 -5.209 -31.184 1.00 0.00 C ATOM 633 O ILE A 41 -10.435 -5.169 -31.370 1.00 0.00 O ATOM 634 CB ILE A 41 -12.624 -7.481 -30.841 1.00 0.00 C ATOM 635 CG1 ILE A 41 -13.246 -8.449 -29.833 1.00 0.00 C ATOM 636 CG2 ILE A 41 -11.398 -8.102 -31.493 1.00 0.00 C ATOM 637 CD1 ILE A 41 -13.830 -9.691 -30.469 1.00 0.00 C ATOM 0 H ILE A 41 -14.270 -6.086 -29.590 1.00 0.00 H new ATOM 0 HA ILE A 41 -11.514 -6.356 -29.373 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.359 -7.274 -31.619 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -12.487 -8.744 -29.109 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -14.030 -7.931 -29.280 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -11.678 -9.038 -31.977 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.995 -7.415 -32.237 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.642 -8.298 -30.733 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -14.253 -10.331 -29.695 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -14.612 -9.406 -31.172 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.046 -10.232 -30.998 1.00 0.00 H new ATOM 649 N GLU A 42 -12.511 -4.447 -31.851 1.00 0.00 N ATOM 650 CA GLU A 42 -12.064 -3.499 -32.865 1.00 0.00 C ATOM 651 C GLU A 42 -11.008 -2.554 -32.298 1.00 0.00 C ATOM 652 O GLU A 42 -9.880 -2.500 -32.789 1.00 0.00 O ATOM 653 CB GLU A 42 -13.249 -2.694 -33.401 1.00 0.00 C ATOM 654 CG GLU A 42 -12.844 -1.538 -34.300 1.00 0.00 C ATOM 655 CD GLU A 42 -13.958 -1.107 -35.234 1.00 0.00 C ATOM 656 OE1 GLU A 42 -15.086 -1.623 -35.091 1.00 0.00 O ATOM 657 OE2 GLU A 42 -13.701 -0.252 -36.108 1.00 0.00 O ATOM 0 H GLU A 42 -13.521 -4.467 -31.708 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.619 -4.065 -33.683 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.909 -3.361 -33.956 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.823 -2.305 -32.560 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.544 -0.691 -33.683 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.973 -1.828 -34.888 1.00 0.00 H new ATOM 664 N ALA A 43 -11.382 -1.810 -31.262 1.00 0.00 N ATOM 665 CA ALA A 43 -10.469 -0.869 -30.628 1.00 0.00 C ATOM 666 C ALA A 43 -9.315 -1.597 -29.947 1.00 0.00 C ATOM 667 O ALA A 43 -8.211 -1.062 -29.831 1.00 0.00 O ATOM 668 CB ALA A 43 -11.215 -0.004 -29.623 1.00 0.00 C ATOM 0 H ALA A 43 -12.312 -1.841 -30.844 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.052 -0.228 -31.405 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.520 0.694 -29.157 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.000 0.553 -30.134 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.660 -0.638 -28.857 1.00 0.00 H new ATOM 674 N LEU A 44 -9.576 -2.820 -29.499 1.00 0.00 N ATOM 675 CA LEU A 44 -8.559 -3.623 -28.828 1.00 0.00 C ATOM 676 C LEU A 44 -7.359 -3.854 -29.742 1.00 0.00 C ATOM 677 O LEU A 44 -6.240 -4.064 -29.272 1.00 0.00 O ATOM 678 CB LEU A 44 -9.147 -4.965 -28.390 1.00 0.00 C ATOM 679 CG LEU A 44 -9.885 -4.969 -27.051 1.00 0.00 C ATOM 680 CD1 LEU A 44 -10.467 -6.345 -26.766 1.00 0.00 C ATOM 681 CD2 LEU A 44 -8.954 -4.538 -25.927 1.00 0.00 C ATOM 0 H LEU A 44 -10.483 -3.278 -29.588 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.222 -3.077 -27.947 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.836 -5.307 -29.163 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.338 -5.694 -28.339 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.706 -4.255 -27.109 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.988 -6.328 -25.809 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.168 -6.615 -27.556 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.663 -7.080 -26.728 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.497 -4.547 -24.982 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.111 -5.227 -25.868 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.586 -3.531 -26.125 1.00 0.00 H new ATOM 693 N ASP A 45 -7.599 -3.812 -31.047 1.00 0.00 N ATOM 694 CA ASP A 45 -6.538 -4.014 -32.027 1.00 0.00 C ATOM 695 C ASP A 45 -5.356 -3.092 -31.745 1.00 0.00 C ATOM 696 O ASP A 45 -4.201 -3.465 -31.955 1.00 0.00 O ATOM 697 CB ASP A 45 -7.066 -3.768 -33.441 1.00 0.00 C ATOM 698 CG ASP A 45 -5.962 -3.764 -34.479 1.00 0.00 C ATOM 699 OD1 ASP A 45 -5.145 -4.709 -34.481 1.00 0.00 O ATOM 700 OD2 ASP A 45 -5.914 -2.816 -35.291 1.00 0.00 O ATOM 0 H ASP A 45 -8.519 -3.640 -31.452 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.198 -5.047 -31.950 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.794 -4.539 -33.693 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.590 -2.813 -33.469 1.00 0.00 H new ATOM 705 N ARG A 46 -5.652 -1.887 -31.269 1.00 0.00 N ATOM 706 CA ARG A 46 -4.613 -0.911 -30.960 1.00 0.00 C ATOM 707 C ARG A 46 -3.689 -1.430 -29.862 1.00 0.00 C ATOM 708 O ARG A 46 -2.465 -1.407 -30.004 1.00 0.00 O ATOM 709 CB ARG A 46 -5.242 0.414 -30.528 1.00 0.00 C ATOM 710 CG ARG A 46 -4.332 1.615 -30.731 1.00 0.00 C ATOM 711 CD ARG A 46 -5.088 2.923 -30.556 1.00 0.00 C ATOM 712 NE ARG A 46 -6.072 3.132 -31.615 1.00 0.00 N ATOM 713 CZ ARG A 46 -6.784 4.246 -31.746 1.00 0.00 C ATOM 714 NH1 ARG A 46 -6.622 5.245 -30.890 1.00 0.00 N ATOM 715 NH2 ARG A 46 -7.661 4.362 -32.736 1.00 0.00 N ATOM 0 H ARG A 46 -6.602 -1.563 -31.089 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.022 -0.748 -31.861 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.164 0.569 -31.088 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.516 0.350 -29.475 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.507 1.572 -30.020 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.895 1.577 -31.729 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.590 2.925 -29.589 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.381 3.752 -30.549 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.221 2.382 -32.290 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.949 5.160 -30.128 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.170 6.099 -30.993 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.789 3.595 -33.397 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.207 5.218 -32.836 1.00 0.00 H new ATOM 729 N LEU A 47 -4.281 -1.897 -28.769 1.00 0.00 N ATOM 730 CA LEU A 47 -3.511 -2.421 -27.646 1.00 0.00 C ATOM 731 C LEU A 47 -2.653 -3.606 -28.080 1.00 0.00 C ATOM 732 O LEU A 47 -1.437 -3.609 -27.887 1.00 0.00 O ATOM 733 CB LEU A 47 -4.448 -2.843 -26.513 1.00 0.00 C ATOM 734 CG LEU A 47 -5.578 -1.869 -26.178 1.00 0.00 C ATOM 735 CD1 LEU A 47 -6.362 -2.356 -24.970 1.00 0.00 C ATOM 736 CD2 LEU A 47 -5.024 -0.474 -25.930 1.00 0.00 C ATOM 0 H LEU A 47 -5.292 -1.924 -28.636 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.852 -1.630 -27.288 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.890 -3.805 -26.773 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.851 -2.999 -25.614 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.256 -1.822 -27.030 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.162 -1.650 -24.747 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.791 -3.335 -25.185 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.696 -2.433 -24.111 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.842 0.206 -25.693 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.324 -0.504 -25.095 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.508 -0.123 -26.824 1.00 0.00 H new ATOM 748 N LEU A 48 -3.295 -4.610 -28.668 1.00 0.00 N ATOM 749 CA LEU A 48 -2.590 -5.800 -29.133 1.00 0.00 C ATOM 750 C LEU A 48 -1.417 -5.423 -30.031 1.00 0.00 C ATOM 751 O LEU A 48 -0.271 -5.785 -29.760 1.00 0.00 O ATOM 752 CB LEU A 48 -3.550 -6.722 -29.887 1.00 0.00 C ATOM 753 CG LEU A 48 -4.836 -7.100 -29.151 1.00 0.00 C ATOM 754 CD1 LEU A 48 -5.739 -7.933 -30.048 1.00 0.00 C ATOM 755 CD2 LEU A 48 -4.514 -7.852 -27.868 1.00 0.00 C ATOM 0 H LEU A 48 -4.301 -4.624 -28.834 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.200 -6.325 -28.261 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.821 -6.241 -30.827 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.017 -7.639 -30.140 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.365 -6.184 -28.888 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.649 -8.193 -29.508 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.997 -7.359 -30.938 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.219 -8.845 -30.342 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.441 -8.113 -27.357 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.963 -8.761 -28.108 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.907 -7.221 -27.219 1.00 0.00 H new ATOM 767 N LEU A 49 -1.709 -4.692 -31.101 1.00 0.00 N ATOM 768 CA LEU A 49 -0.678 -4.263 -32.040 1.00 0.00 C ATOM 769 C LEU A 49 0.470 -3.574 -31.310 1.00 0.00 C ATOM 770 O LEU A 49 1.641 -3.845 -31.578 1.00 0.00 O ATOM 771 CB LEU A 49 -1.273 -3.318 -33.085 1.00 0.00 C ATOM 772 CG LEU A 49 -0.442 -3.108 -34.351 1.00 0.00 C ATOM 773 CD1 LEU A 49 -1.330 -2.668 -35.505 1.00 0.00 C ATOM 774 CD2 LEU A 49 0.659 -2.087 -34.104 1.00 0.00 C ATOM 0 H LEU A 49 -2.651 -4.384 -31.340 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.287 -5.148 -32.541 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.251 -3.700 -33.376 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.436 -2.347 -32.617 1.00 0.00 H new ATOM 0 HG LEU A 49 0.024 -4.057 -34.618 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.721 -2.523 -36.398 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.081 -3.434 -35.698 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.824 -1.731 -35.247 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.240 -1.951 -35.016 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.214 -1.136 -33.811 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.313 -2.442 -33.307 1.00 0.00 H new ATOM 786 N ASP A 50 0.127 -2.684 -30.385 1.00 0.00 N ATOM 787 CA ASP A 50 1.130 -1.959 -29.614 1.00 0.00 C ATOM 788 C ASP A 50 2.080 -2.924 -28.913 1.00 0.00 C ATOM 789 O ASP A 50 3.295 -2.864 -29.103 1.00 0.00 O ATOM 790 CB ASP A 50 0.453 -1.052 -28.584 1.00 0.00 C ATOM 791 CG ASP A 50 0.167 0.333 -29.131 1.00 0.00 C ATOM 792 OD1 ASP A 50 -0.212 0.435 -30.317 1.00 0.00 O ATOM 793 OD2 ASP A 50 0.322 1.314 -28.375 1.00 0.00 O ATOM 0 H ASP A 50 -0.837 -2.448 -30.151 1.00 0.00 H new ATOM 0 HA ASP A 50 1.709 -1.345 -30.304 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.481 -1.511 -28.258 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.091 -0.967 -27.704 1.00 0.00 H new ATOM 798 N VAL A 51 1.518 -3.815 -28.101 1.00 0.00 N ATOM 799 CA VAL A 51 2.315 -4.794 -27.371 1.00 0.00 C ATOM 800 C VAL A 51 3.175 -5.620 -28.321 1.00 0.00 C ATOM 801 O VAL A 51 4.308 -5.976 -27.998 1.00 0.00 O ATOM 802 CB VAL A 51 1.424 -5.741 -26.547 1.00 0.00 C ATOM 803 CG1 VAL A 51 2.274 -6.741 -25.778 1.00 0.00 C ATOM 804 CG2 VAL A 51 0.534 -4.948 -25.603 1.00 0.00 C ATOM 0 H VAL A 51 0.514 -3.879 -27.932 1.00 0.00 H new ATOM 0 HA VAL A 51 2.961 -4.235 -26.694 1.00 0.00 H new ATOM 0 HB VAL A 51 0.784 -6.297 -27.232 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.626 -7.402 -25.202 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.864 -7.332 -26.479 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.942 -6.207 -25.102 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.089 -5.633 -25.028 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.154 -4.364 -24.923 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.102 -4.277 -26.180 1.00 0.00 H new ATOM 814 N ARG A 52 2.629 -5.921 -29.495 1.00 0.00 N ATOM 815 CA ARG A 52 3.346 -6.706 -30.492 1.00 0.00 C ATOM 816 C ARG A 52 4.453 -5.880 -31.141 1.00 0.00 C ATOM 817 O ARG A 52 5.455 -6.424 -31.605 1.00 0.00 O ATOM 818 CB ARG A 52 2.379 -7.214 -31.564 1.00 0.00 C ATOM 819 CG ARG A 52 3.003 -8.214 -32.523 1.00 0.00 C ATOM 820 CD ARG A 52 3.433 -9.483 -31.802 1.00 0.00 C ATOM 821 NE ARG A 52 3.793 -10.547 -32.735 1.00 0.00 N ATOM 822 CZ ARG A 52 2.901 -11.270 -33.405 1.00 0.00 C ATOM 823 NH1 ARG A 52 1.605 -11.042 -33.245 1.00 0.00 N ATOM 824 NH2 ARG A 52 3.306 -12.221 -34.236 1.00 0.00 N ATOM 0 H ARG A 52 1.693 -5.633 -29.779 1.00 0.00 H new ATOM 0 HA ARG A 52 3.800 -7.559 -29.988 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.521 -7.677 -31.077 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.002 -6.364 -32.133 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.288 -8.464 -33.306 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.866 -7.762 -33.012 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.284 -9.263 -31.157 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.624 -9.825 -31.157 1.00 0.00 H new ATOM 0 HE ARG A 52 4.783 -10.746 -32.881 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.291 -10.311 -32.607 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.922 -11.598 -33.760 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.303 -12.398 -34.361 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.621 -12.775 -34.750 1.00 0.00 H new ATOM 838 N ALA A 53 4.264 -4.565 -31.170 1.00 0.00 N ATOM 839 CA ALA A 53 5.246 -3.665 -31.761 1.00 0.00 C ATOM 840 C ALA A 53 6.183 -3.102 -30.697 1.00 0.00 C ATOM 841 O ALA A 53 6.750 -2.022 -30.865 1.00 0.00 O ATOM 842 CB ALA A 53 4.548 -2.535 -32.503 1.00 0.00 C ATOM 0 H ALA A 53 3.439 -4.099 -30.791 1.00 0.00 H new ATOM 0 HA ALA A 53 5.844 -4.235 -32.471 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.294 -1.871 -32.939 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.925 -2.950 -33.295 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.925 -1.973 -31.807 1.00 0.00 H new ATOM 848 N ARG A 54 6.341 -3.839 -29.603 1.00 0.00 N ATOM 849 CA ARG A 54 7.208 -3.412 -28.512 1.00 0.00 C ATOM 850 C ARG A 54 6.794 -2.037 -27.995 1.00 0.00 C ATOM 851 O ARG A 54 7.617 -1.128 -27.893 1.00 0.00 O ATOM 852 CB ARG A 54 8.666 -3.377 -28.974 1.00 0.00 C ATOM 853 CG ARG A 54 9.209 -4.738 -29.378 1.00 0.00 C ATOM 854 CD ARG A 54 10.577 -4.619 -30.033 1.00 0.00 C ATOM 855 NE ARG A 54 11.364 -5.840 -29.881 1.00 0.00 N ATOM 856 CZ ARG A 54 11.942 -6.205 -28.742 1.00 0.00 C ATOM 857 NH1 ARG A 54 11.821 -5.447 -27.661 1.00 0.00 N ATOM 858 NH2 ARG A 54 12.642 -7.330 -28.683 1.00 0.00 N ATOM 0 H ARG A 54 5.880 -4.735 -29.449 1.00 0.00 H new ATOM 0 HA ARG A 54 7.109 -4.132 -27.700 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.754 -2.694 -29.819 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.283 -2.972 -28.172 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.280 -5.379 -28.499 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.515 -5.218 -30.067 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.453 -4.397 -31.093 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.118 -3.782 -29.593 1.00 0.00 H new ATOM 0 HE ARG A 54 11.476 -6.446 -30.694 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.283 -4.581 -27.703 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.266 -5.730 -26.788 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.737 -7.916 -29.513 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.085 -7.609 -27.808 1.00 0.00 H new ATOM 872 N ARG A 55 5.513 -1.894 -27.672 1.00 0.00 N ATOM 873 CA ARG A 55 4.989 -0.630 -27.167 1.00 0.00 C ATOM 874 C ARG A 55 4.432 -0.797 -25.757 1.00 0.00 C ATOM 875 O ARG A 55 3.551 -0.048 -25.334 1.00 0.00 O ATOM 876 CB ARG A 55 3.899 -0.097 -28.099 1.00 0.00 C ATOM 877 CG ARG A 55 4.354 0.065 -29.540 1.00 0.00 C ATOM 878 CD ARG A 55 5.109 1.370 -29.741 1.00 0.00 C ATOM 879 NE ARG A 55 4.218 2.467 -30.107 1.00 0.00 N ATOM 880 CZ ARG A 55 4.567 3.748 -30.052 1.00 0.00 C ATOM 881 NH1 ARG A 55 5.783 4.090 -29.650 1.00 0.00 N ATOM 882 NH2 ARG A 55 3.700 4.689 -30.402 1.00 0.00 N ATOM 0 H ARG A 55 4.819 -2.637 -27.751 1.00 0.00 H new ATOM 0 HA ARG A 55 5.809 0.087 -27.132 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.046 -0.774 -28.071 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.553 0.867 -27.726 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.993 -0.773 -29.818 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.488 0.038 -30.202 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.641 1.626 -28.825 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.860 1.238 -30.520 1.00 0.00 H new ATOM 0 HE ARG A 55 3.276 2.237 -30.422 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.453 3.369 -29.382 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.049 5.074 -29.609 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.764 4.430 -30.714 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.969 5.672 -30.359 1.00 0.00 H new ATOM 896 N VAL A 56 4.950 -1.784 -25.034 1.00 0.00 N ATOM 897 CA VAL A 56 4.505 -2.049 -23.671 1.00 0.00 C ATOM 898 C VAL A 56 5.318 -1.246 -22.661 1.00 0.00 C ATOM 899 O VAL A 56 6.510 -1.011 -22.855 1.00 0.00 O ATOM 900 CB VAL A 56 4.614 -3.546 -23.326 1.00 0.00 C ATOM 901 CG1 VAL A 56 6.052 -4.023 -23.465 1.00 0.00 C ATOM 902 CG2 VAL A 56 4.090 -3.809 -21.922 1.00 0.00 C ATOM 0 H VAL A 56 5.679 -2.414 -25.369 1.00 0.00 H new ATOM 0 HA VAL A 56 3.460 -1.746 -23.615 1.00 0.00 H new ATOM 0 HB VAL A 56 4.000 -4.108 -24.029 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.109 -5.083 -23.217 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.388 -3.871 -24.491 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.690 -3.457 -22.787 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.175 -4.872 -21.695 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.675 -3.237 -21.202 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.044 -3.507 -21.861 1.00 0.00 H new ATOM 912 N ASP A 57 4.664 -0.828 -21.583 1.00 0.00 N ATOM 913 CA ASP A 57 5.326 -0.052 -20.541 1.00 0.00 C ATOM 914 C ASP A 57 4.564 -0.151 -19.223 1.00 0.00 C ATOM 915 O ASP A 57 3.523 -0.802 -19.145 1.00 0.00 O ATOM 916 CB ASP A 57 5.447 1.413 -20.965 1.00 0.00 C ATOM 917 CG ASP A 57 6.687 2.078 -20.401 1.00 0.00 C ATOM 918 OD1 ASP A 57 7.708 1.379 -20.225 1.00 0.00 O ATOM 919 OD2 ASP A 57 6.638 3.297 -20.137 1.00 0.00 O ATOM 0 H ASP A 57 3.676 -1.013 -21.408 1.00 0.00 H new ATOM 0 HA ASP A 57 6.325 -0.464 -20.395 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.469 1.473 -22.053 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.563 1.958 -20.634 1.00 0.00 H new ATOM 924 N GLN A 58 5.091 0.499 -18.190 1.00 0.00 N ATOM 925 CA GLN A 58 4.461 0.482 -16.875 1.00 0.00 C ATOM 926 C GLN A 58 3.559 1.697 -16.688 1.00 0.00 C ATOM 927 O GLN A 58 3.732 2.720 -17.352 1.00 0.00 O ATOM 928 CB GLN A 58 5.525 0.448 -15.777 1.00 0.00 C ATOM 929 CG GLN A 58 6.548 1.567 -15.886 1.00 0.00 C ATOM 930 CD GLN A 58 7.416 1.687 -14.649 1.00 0.00 C ATOM 931 OE1 GLN A 58 7.450 2.733 -14.000 1.00 0.00 O ATOM 932 NE2 GLN A 58 8.123 0.614 -14.315 1.00 0.00 N ATOM 0 H GLN A 58 5.952 1.044 -18.238 1.00 0.00 H new ATOM 0 HA GLN A 58 3.848 -0.417 -16.805 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.035 0.509 -14.805 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.042 -0.511 -15.814 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.182 1.391 -16.755 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.031 2.512 -16.055 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.064 -0.232 -14.882 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.725 0.636 -13.492 1.00 0.00 H new ATOM 941 N PHE A 59 2.595 1.578 -15.781 1.00 0.00 N ATOM 942 CA PHE A 59 1.664 2.667 -15.508 1.00 0.00 C ATOM 943 C PHE A 59 0.778 2.337 -14.309 1.00 0.00 C ATOM 944 O PHE A 59 0.318 1.206 -14.158 1.00 0.00 O ATOM 945 CB PHE A 59 0.796 2.945 -16.737 1.00 0.00 C ATOM 946 CG PHE A 59 0.245 4.341 -16.778 1.00 0.00 C ATOM 947 CD1 PHE A 59 0.977 5.373 -17.343 1.00 0.00 C ATOM 948 CD2 PHE A 59 -1.006 4.623 -16.252 1.00 0.00 C ATOM 949 CE1 PHE A 59 0.473 6.659 -17.382 1.00 0.00 C ATOM 950 CE2 PHE A 59 -1.516 5.907 -16.288 1.00 0.00 C ATOM 951 CZ PHE A 59 -0.776 6.926 -16.855 1.00 0.00 C ATOM 0 H PHE A 59 2.438 0.739 -15.223 1.00 0.00 H new ATOM 0 HA PHE A 59 2.245 3.559 -15.274 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.387 2.769 -17.636 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.031 2.236 -16.756 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.953 5.170 -17.758 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.589 3.830 -15.809 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.055 7.454 -17.824 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.492 6.113 -15.873 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.173 7.930 -16.886 1.00 0.00 H new ATOM 961 N GLN A 60 0.546 3.333 -13.461 1.00 0.00 N ATOM 962 CA GLN A 60 -0.283 3.149 -12.276 1.00 0.00 C ATOM 963 C GLN A 60 -1.545 4.001 -12.356 1.00 0.00 C ATOM 964 O GLN A 60 -1.475 5.215 -12.554 1.00 0.00 O ATOM 965 CB GLN A 60 0.507 3.504 -11.015 1.00 0.00 C ATOM 966 CG GLN A 60 1.283 4.806 -11.130 1.00 0.00 C ATOM 967 CD GLN A 60 1.987 5.182 -9.841 1.00 0.00 C ATOM 968 OE1 GLN A 60 1.238 5.213 -8.744 1.00 0.00 O flip ATOM 969 NE2 GLN A 60 3.190 5.441 -9.830 1.00 0.00 N flip ATOM 0 H GLN A 60 0.920 4.275 -13.572 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.577 2.101 -12.229 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.181 3.574 -10.173 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.202 2.695 -10.792 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.019 4.716 -11.929 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.601 5.607 -11.414 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.727 5.405 -10.696 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.650 5.692 -8.955 1.00 0.00 H new ATOM 978 N ILE A 61 -2.698 3.359 -12.202 1.00 0.00 N ATOM 979 CA ILE A 61 -3.975 4.059 -12.256 1.00 0.00 C ATOM 980 C ILE A 61 -4.180 4.926 -11.019 1.00 0.00 C ATOM 981 O ILE A 61 -4.458 6.120 -11.125 1.00 0.00 O ATOM 982 CB ILE A 61 -5.152 3.073 -12.378 1.00 0.00 C ATOM 983 CG1 ILE A 61 -4.939 2.135 -13.568 1.00 0.00 C ATOM 984 CG2 ILE A 61 -6.464 3.830 -12.523 1.00 0.00 C ATOM 985 CD1 ILE A 61 -4.925 2.845 -14.903 1.00 0.00 C ATOM 0 H ILE A 61 -2.774 2.355 -12.039 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.949 4.694 -13.141 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.199 2.473 -11.470 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.996 1.605 -13.438 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.729 1.384 -13.574 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.286 3.120 -12.608 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.619 4.461 -11.648 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.428 4.452 -13.417 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.770 2.118 -15.700 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.878 3.352 -15.055 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.118 3.577 -14.917 1.00 0.00 H new ATOM 997 N ASN A 62 -4.038 4.318 -9.846 1.00 0.00 N ATOM 998 CA ASN A 62 -4.206 5.036 -8.588 1.00 0.00 C ATOM 999 C ASN A 62 -3.336 4.425 -7.493 1.00 0.00 C ATOM 1000 O ASN A 62 -2.636 3.439 -7.720 1.00 0.00 O ATOM 1001 CB ASN A 62 -5.674 5.017 -8.158 1.00 0.00 C ATOM 1002 CG ASN A 62 -6.518 6.006 -8.938 1.00 0.00 C ATOM 1003 OD1 ASN A 62 -7.478 5.494 -9.698 1.00 0.00 O flip ATOM 1004 ND2 ASN A 62 -6.308 7.217 -8.858 1.00 0.00 N flip ATOM 0 H ASN A 62 -3.807 3.330 -9.740 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.893 6.069 -8.743 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -6.077 4.013 -8.294 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.741 5.246 -7.094 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.559 7.566 -8.261 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.884 7.871 -9.389 1.00 0.00 H new ATOM 1011 N ALA A 63 -3.386 5.019 -6.305 1.00 0.00 N ATOM 1012 CA ALA A 63 -2.605 4.532 -5.174 1.00 0.00 C ATOM 1013 C ALA A 63 -3.387 3.498 -4.371 1.00 0.00 C ATOM 1014 O ALA A 63 -2.812 2.555 -3.829 1.00 0.00 O ATOM 1015 CB ALA A 63 -2.189 5.692 -4.282 1.00 0.00 C ATOM 0 H ALA A 63 -3.959 5.838 -6.101 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.709 4.048 -5.564 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.607 5.314 -3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.584 6.394 -4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.078 6.200 -3.908 1.00 0.00 H new ATOM 1021 N SER A 64 -4.702 3.682 -4.300 1.00 0.00 N ATOM 1022 CA SER A 64 -5.562 2.768 -3.559 1.00 0.00 C ATOM 1023 C SER A 64 -5.955 1.572 -4.421 1.00 0.00 C ATOM 1024 O SER A 64 -6.032 0.443 -3.938 1.00 0.00 O ATOM 1025 CB SER A 64 -6.818 3.495 -3.074 1.00 0.00 C ATOM 1026 OG SER A 64 -7.299 2.932 -1.865 1.00 0.00 O ATOM 0 H SER A 64 -5.194 4.456 -4.747 1.00 0.00 H new ATOM 0 HA SER A 64 -5.005 2.405 -2.696 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.595 4.551 -2.923 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.593 3.438 -3.839 1.00 0.00 H new ATOM 0 HG SER A 64 -8.101 3.415 -1.575 1.00 0.00 H new ATOM 1032 N ALA A 65 -6.201 1.829 -5.701 1.00 0.00 N ATOM 1033 CA ALA A 65 -6.584 0.775 -6.633 1.00 0.00 C ATOM 1034 C ALA A 65 -5.411 -0.157 -6.918 1.00 0.00 C ATOM 1035 O ALA A 65 -4.296 0.071 -6.450 1.00 0.00 O ATOM 1036 CB ALA A 65 -7.107 1.379 -7.928 1.00 0.00 C ATOM 0 H ALA A 65 -6.142 2.758 -6.117 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.378 0.188 -6.173 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.389 0.580 -8.614 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.978 1.999 -7.715 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.329 1.991 -8.384 1.00 0.00 H new ATOM 1042 N ALA A 66 -5.671 -1.209 -7.688 1.00 0.00 N ATOM 1043 CA ALA A 66 -4.637 -2.175 -8.036 1.00 0.00 C ATOM 1044 C ALA A 66 -3.466 -1.497 -8.740 1.00 0.00 C ATOM 1045 O ALA A 66 -3.562 -1.132 -9.911 1.00 0.00 O ATOM 1046 CB ALA A 66 -5.216 -3.276 -8.912 1.00 0.00 C ATOM 0 H ALA A 66 -6.589 -1.413 -8.082 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.264 -2.619 -7.113 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.432 -3.990 -9.164 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -6.014 -3.788 -8.374 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.617 -2.840 -9.827 1.00 0.00 H new ATOM 1052 N GLN A 67 -2.363 -1.331 -8.017 1.00 0.00 N ATOM 1053 CA GLN A 67 -1.175 -0.695 -8.573 1.00 0.00 C ATOM 1054 C GLN A 67 -0.365 -1.685 -9.404 1.00 0.00 C ATOM 1055 O GLN A 67 0.565 -2.316 -8.901 1.00 0.00 O ATOM 1056 CB GLN A 67 -0.306 -0.121 -7.453 1.00 0.00 C ATOM 1057 CG GLN A 67 -0.665 1.307 -7.075 1.00 0.00 C ATOM 1058 CD GLN A 67 0.497 2.057 -6.455 1.00 0.00 C ATOM 1059 OE1 GLN A 67 1.301 2.701 -7.293 1.00 0.00 O flip ATOM 1060 NE2 GLN A 67 0.671 2.058 -5.236 1.00 0.00 N flip ATOM 0 H GLN A 67 -2.268 -1.628 -7.046 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.500 0.117 -9.224 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.398 -0.755 -6.571 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.739 -0.154 -7.762 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.003 1.840 -7.964 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.500 1.294 -6.374 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.028 1.549 -4.629 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.458 2.567 -4.834 1.00 0.00 H new ATOM 1069 N ILE A 68 -0.726 -1.817 -10.676 1.00 0.00 N ATOM 1070 CA ILE A 68 -0.032 -2.730 -11.575 1.00 0.00 C ATOM 1071 C ILE A 68 1.158 -2.048 -12.240 1.00 0.00 C ATOM 1072 O ILE A 68 1.036 -0.945 -12.774 1.00 0.00 O ATOM 1073 CB ILE A 68 -0.976 -3.270 -12.666 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -2.166 -3.991 -12.031 1.00 0.00 C ATOM 1075 CG2 ILE A 68 -0.223 -4.204 -13.603 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -3.493 -3.315 -12.296 1.00 0.00 C ATOM 0 H ILE A 68 -1.495 -1.303 -11.107 1.00 0.00 H new ATOM 0 HA ILE A 68 0.323 -3.563 -10.968 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.353 -2.429 -13.248 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.206 -5.012 -12.409 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.009 -4.056 -10.954 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.903 -4.578 -14.368 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.595 -3.662 -14.078 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.179 -5.043 -13.035 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.292 -3.881 -11.816 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.472 -2.303 -11.893 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.672 -3.274 -13.370 1.00 0.00 H new ATOM 1088 N ILE A 69 2.309 -2.712 -12.206 1.00 0.00 N ATOM 1089 CA ILE A 69 3.521 -2.171 -12.808 1.00 0.00 C ATOM 1090 C ILE A 69 4.234 -3.224 -13.649 1.00 0.00 C ATOM 1091 O ILE A 69 4.283 -4.398 -13.282 1.00 0.00 O ATOM 1092 CB ILE A 69 4.493 -1.640 -11.737 1.00 0.00 C ATOM 1093 CG1 ILE A 69 3.819 -0.550 -10.902 1.00 0.00 C ATOM 1094 CG2 ILE A 69 5.760 -1.109 -12.389 1.00 0.00 C ATOM 1095 CD1 ILE A 69 3.064 -1.085 -9.706 1.00 0.00 C ATOM 0 H ILE A 69 2.427 -3.625 -11.768 1.00 0.00 H new ATOM 0 HA ILE A 69 3.214 -1.345 -13.449 1.00 0.00 H new ATOM 0 HB ILE A 69 4.766 -2.462 -11.075 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.577 0.154 -10.558 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.130 0.008 -11.536 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.437 -0.737 -11.620 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.247 -1.911 -12.944 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.506 -0.298 -13.071 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.612 -0.256 -9.161 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.283 -1.766 -10.044 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.752 -1.619 -9.050 1.00 0.00 H new ATOM 1107 N VAL A 70 4.789 -2.796 -14.778 1.00 0.00 N ATOM 1108 CA VAL A 70 5.503 -3.701 -15.671 1.00 0.00 C ATOM 1109 C VAL A 70 7.001 -3.684 -15.386 1.00 0.00 C ATOM 1110 O VAL A 70 7.661 -2.655 -15.533 1.00 0.00 O ATOM 1111 CB VAL A 70 5.268 -3.334 -17.148 1.00 0.00 C ATOM 1112 CG1 VAL A 70 6.047 -4.268 -18.061 1.00 0.00 C ATOM 1113 CG2 VAL A 70 3.783 -3.370 -17.476 1.00 0.00 C ATOM 0 H VAL A 70 4.758 -1.827 -15.096 1.00 0.00 H new ATOM 0 HA VAL A 70 5.112 -4.702 -15.487 1.00 0.00 H new ATOM 0 HB VAL A 70 5.629 -2.319 -17.314 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.868 -3.993 -19.101 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.112 -4.187 -17.842 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.720 -5.295 -17.896 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.635 -3.108 -18.524 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.394 -4.372 -17.294 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.254 -2.656 -16.845 1.00 0.00 H new ATOM 1123 N THR A 71 7.533 -4.833 -14.979 1.00 0.00 N ATOM 1124 CA THR A 71 8.953 -4.951 -14.673 1.00 0.00 C ATOM 1125 C THR A 71 9.672 -5.795 -15.720 1.00 0.00 C ATOM 1126 O THR A 71 10.011 -6.952 -15.472 1.00 0.00 O ATOM 1127 CB THR A 71 9.178 -5.575 -13.283 1.00 0.00 C ATOM 1128 OG1 THR A 71 10.562 -5.899 -13.110 1.00 0.00 O ATOM 1129 CG2 THR A 71 8.333 -6.828 -13.110 1.00 0.00 C ATOM 0 H THR A 71 7.001 -5.695 -14.854 1.00 0.00 H new ATOM 0 HA THR A 71 9.363 -3.941 -14.680 1.00 0.00 H new ATOM 0 HB THR A 71 8.879 -4.847 -12.529 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.808 -6.622 -13.724 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.508 -7.251 -12.121 1.00 0.00 H new ATOM 0 HG22 THR A 71 7.278 -6.573 -13.214 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.606 -7.559 -13.871 1.00 0.00 H new ATOM 1137 N ASP A 72 9.904 -5.208 -16.889 1.00 0.00 N ATOM 1138 CA ASP A 72 10.585 -5.906 -17.973 1.00 0.00 C ATOM 1139 C ASP A 72 12.085 -5.993 -17.705 1.00 0.00 C ATOM 1140 O ASP A 72 12.770 -6.866 -18.238 1.00 0.00 O ATOM 1141 CB ASP A 72 10.332 -5.195 -19.304 1.00 0.00 C ATOM 1142 CG ASP A 72 11.254 -5.683 -20.404 1.00 0.00 C ATOM 1143 OD1 ASP A 72 12.439 -5.289 -20.404 1.00 0.00 O ATOM 1144 OD2 ASP A 72 10.791 -6.459 -21.266 1.00 0.00 O ATOM 0 H ASP A 72 9.630 -4.251 -17.110 1.00 0.00 H new ATOM 0 HA ASP A 72 10.185 -6.918 -18.029 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.296 -5.352 -19.605 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.466 -4.122 -19.171 1.00 0.00 H new TER 1149 ASP A 72