USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 544 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 4 MET CE :methyl -154:sc= -0.415 (180deg=-0.677) USER MOD Set 1.2: A 63 CYS SG : rot 19:sc= -1.67 USER MOD Set 1.3: A 70 MET CE :methyl 157:sc= -2.99! (180deg=-2.63!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -100:sc= 0.434 USER MOD Single : A 18 LYS NZ :NH3+ 143:sc= -0.183 (180deg=-1.9!) USER MOD Single : A 20 SER OG : rot 55:sc= 1.73 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 23:sc= -0.554 USER MOD Single : A 30 THR OG1 : rot -31:sc= 0.167 USER MOD Single : A 33 SER OG : rot 74:sc= 0.659 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.733 USER MOD Single : A 40 GLN : amide:sc= -0.0729 X(o=-0.073,f=-0.14) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 139:sc= -0.997 USER MOD Single : A 57 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.0077) USER MOD Single : A 61 SER OG : rot -167:sc= 1.18 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0.46) USER MOD Single : A 66 ASN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 163:sc= 0.317 (180deg=-0.000879) USER MOD ----------------------------------------------------------------- ATOM 23 N ASP A 3 7.487 -1.161 -3.140 1.00 0.00 N ATOM 24 CA ASP A 3 8.013 -1.174 -4.500 1.00 0.00 C ATOM 25 C ASP A 3 8.932 -2.372 -4.716 1.00 0.00 C ATOM 26 O ASP A 3 8.999 -2.926 -5.813 1.00 0.00 O ATOM 27 CB ASP A 3 8.768 0.124 -4.790 1.00 0.00 C ATOM 28 CG ASP A 3 7.853 1.332 -4.821 1.00 0.00 C ATOM 29 OD1 ASP A 3 6.874 1.354 -4.046 1.00 0.00 O ATOM 30 OD2 ASP A 3 8.115 2.255 -5.620 1.00 0.00 O ATOM 0 HA ASP A 3 7.172 -1.257 -5.188 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.535 0.272 -4.030 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.281 0.036 -5.748 1.00 0.00 H new ATOM 35 N MET A 4 9.641 -2.765 -3.662 1.00 0.00 N ATOM 36 CA MET A 4 10.557 -3.898 -3.737 1.00 0.00 C ATOM 37 C MET A 4 10.196 -4.958 -2.701 1.00 0.00 C ATOM 38 O MET A 4 10.469 -6.142 -2.893 1.00 0.00 O ATOM 39 CB MET A 4 11.998 -3.430 -3.526 1.00 0.00 C ATOM 40 CG MET A 4 12.249 -2.841 -2.147 1.00 0.00 C ATOM 41 SD MET A 4 11.895 -1.074 -2.072 1.00 0.00 S ATOM 42 CE MET A 4 13.223 -0.420 -3.080 1.00 0.00 C ATOM 0 H MET A 4 9.599 -2.316 -2.747 1.00 0.00 H new ATOM 0 HA MET A 4 10.468 -4.341 -4.729 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.672 -4.273 -3.680 1.00 0.00 H new ATOM 0 HB3 MET A 4 12.243 -2.683 -4.281 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.632 -3.363 -1.415 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.288 -3.012 -1.867 1.00 0.00 H new ATOM 0 HE1 MET A 4 13.437 0.606 -2.780 1.00 0.00 H new ATOM 0 HE2 MET A 4 14.116 -1.031 -2.946 1.00 0.00 H new ATOM 0 HE3 MET A 4 12.926 -0.437 -4.129 1.00 0.00 H new ATOM 52 N GLU A 5 9.583 -4.523 -1.605 1.00 0.00 N ATOM 53 CA GLU A 5 9.187 -5.436 -0.539 1.00 0.00 C ATOM 54 C GLU A 5 8.055 -6.350 -0.999 1.00 0.00 C ATOM 55 O GLU A 5 7.895 -7.461 -0.492 1.00 0.00 O ATOM 56 CB GLU A 5 8.752 -4.651 0.700 1.00 0.00 C ATOM 57 CG GLU A 5 9.827 -3.723 1.240 1.00 0.00 C ATOM 58 CD GLU A 5 9.423 -3.058 2.542 1.00 0.00 C ATOM 59 OE1 GLU A 5 8.904 -3.762 3.432 1.00 0.00 O ATOM 60 OE2 GLU A 5 9.627 -1.832 2.669 1.00 0.00 O ATOM 0 H GLU A 5 9.350 -3.545 -1.432 1.00 0.00 H new ATOM 0 HA GLU A 5 10.049 -6.053 -0.285 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.866 -4.064 0.456 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.463 -5.353 1.482 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.746 -4.289 1.395 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.046 -2.956 0.497 1.00 0.00 H new ATOM 67 N ARG A 6 7.271 -5.874 -1.961 1.00 0.00 N ATOM 68 CA ARG A 6 6.152 -6.647 -2.487 1.00 0.00 C ATOM 69 C ARG A 6 6.648 -7.780 -3.382 1.00 0.00 C ATOM 70 O ARG A 6 5.944 -8.768 -3.595 1.00 0.00 O ATOM 71 CB ARG A 6 5.204 -5.740 -3.273 1.00 0.00 C ATOM 72 CG ARG A 6 4.029 -6.479 -3.894 1.00 0.00 C ATOM 73 CD ARG A 6 3.077 -7.004 -2.831 1.00 0.00 C ATOM 74 NE ARG A 6 2.044 -6.029 -2.491 1.00 0.00 N ATOM 75 CZ ARG A 6 1.026 -6.289 -1.679 1.00 0.00 C ATOM 76 NH1 ARG A 6 0.906 -7.488 -1.125 1.00 0.00 N ATOM 77 NH2 ARG A 6 0.127 -5.349 -1.418 1.00 0.00 N ATOM 0 H ARG A 6 7.390 -4.957 -2.392 1.00 0.00 H new ATOM 0 HA ARG A 6 5.614 -7.081 -1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.824 -4.963 -2.609 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.765 -5.239 -4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.492 -5.811 -4.567 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.397 -7.309 -4.496 1.00 0.00 H new ATOM 0 HD2 ARG A 6 2.607 -7.921 -3.186 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.641 -7.262 -1.935 1.00 0.00 H new ATOM 0 HE ARG A 6 2.108 -5.097 -2.900 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.596 -8.212 -1.322 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.123 -7.686 -0.502 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.217 -4.425 -1.841 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.655 -5.550 -0.794 1.00 0.00 H new ATOM 91 N ILE A 7 7.861 -7.629 -3.902 1.00 0.00 N ATOM 92 CA ILE A 7 8.450 -8.639 -4.772 1.00 0.00 C ATOM 93 C ILE A 7 9.324 -9.606 -3.980 1.00 0.00 C ATOM 94 O ILE A 7 9.159 -10.823 -4.067 1.00 0.00 O ATOM 95 CB ILE A 7 9.295 -7.998 -5.888 1.00 0.00 C ATOM 96 CG1 ILE A 7 8.702 -6.647 -6.295 1.00 0.00 C ATOM 97 CG2 ILE A 7 9.381 -8.928 -7.089 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.448 -5.976 -7.426 1.00 0.00 C ATOM 0 H ILE A 7 8.455 -6.817 -3.736 1.00 0.00 H new ATOM 0 HA ILE A 7 7.623 -9.187 -5.223 1.00 0.00 H new ATOM 0 HB ILE A 7 10.303 -7.832 -5.509 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.663 -6.790 -6.590 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.699 -5.985 -5.429 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.982 -8.460 -7.869 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.844 -9.868 -6.789 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.379 -9.123 -7.471 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.972 -5.024 -7.661 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.482 -5.801 -7.127 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.429 -6.619 -8.306 1.00 0.00 H new ATOM 110 N PHE A 8 10.252 -9.055 -3.204 1.00 0.00 N ATOM 111 CA PHE A 8 11.152 -9.868 -2.395 1.00 0.00 C ATOM 112 C PHE A 8 10.369 -10.864 -1.544 1.00 0.00 C ATOM 113 O PHE A 8 10.767 -12.019 -1.395 1.00 0.00 O ATOM 114 CB PHE A 8 12.010 -8.976 -1.495 1.00 0.00 C ATOM 115 CG PHE A 8 12.597 -9.700 -0.317 1.00 0.00 C ATOM 116 CD1 PHE A 8 13.600 -10.639 -0.494 1.00 0.00 C ATOM 117 CD2 PHE A 8 12.145 -9.441 0.967 1.00 0.00 C ATOM 118 CE1 PHE A 8 14.142 -11.307 0.588 1.00 0.00 C ATOM 119 CE2 PHE A 8 12.684 -10.104 2.052 1.00 0.00 C ATOM 120 CZ PHE A 8 13.683 -11.039 1.863 1.00 0.00 C ATOM 0 H PHE A 8 10.400 -8.049 -3.119 1.00 0.00 H new ATOM 0 HA PHE A 8 11.802 -10.425 -3.069 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.818 -8.547 -2.087 1.00 0.00 H new ATOM 0 HB3 PHE A 8 11.403 -8.146 -1.135 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.963 -10.852 -1.489 1.00 0.00 H new ATOM 0 HD2 PHE A 8 11.363 -8.713 1.121 1.00 0.00 H new ATOM 0 HE1 PHE A 8 14.923 -12.037 0.437 1.00 0.00 H new ATOM 0 HE2 PHE A 8 12.325 -9.891 3.048 1.00 0.00 H new ATOM 0 HZ PHE A 8 14.104 -11.559 2.710 1.00 0.00 H new ATOM 130 N LYS A 9 9.252 -10.407 -0.987 1.00 0.00 N ATOM 131 CA LYS A 9 8.411 -11.256 -0.152 1.00 0.00 C ATOM 132 C LYS A 9 7.733 -12.340 -0.985 1.00 0.00 C ATOM 133 O LYS A 9 7.467 -13.437 -0.494 1.00 0.00 O ATOM 134 CB LYS A 9 7.353 -10.413 0.565 1.00 0.00 C ATOM 135 CG LYS A 9 7.822 -9.852 1.896 1.00 0.00 C ATOM 136 CD LYS A 9 6.664 -9.290 2.703 1.00 0.00 C ATOM 137 CE LYS A 9 5.895 -10.391 3.416 1.00 0.00 C ATOM 138 NZ LYS A 9 4.911 -9.841 4.389 1.00 0.00 N ATOM 0 H LYS A 9 8.909 -9.453 -1.099 1.00 0.00 H new ATOM 0 HA LYS A 9 9.048 -11.738 0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.057 -9.588 -0.083 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.465 -11.023 0.730 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.318 -10.636 2.468 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.560 -9.069 1.722 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.042 -8.576 3.435 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.991 -8.743 2.043 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.374 -11.005 2.681 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.595 -11.044 3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.408 -10.624 4.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.410 -9.276 5.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.227 -9.239 3.888 1.00 0.00 H new ATOM 152 N ARG A 10 7.459 -12.025 -2.246 1.00 0.00 N ATOM 153 CA ARG A 10 6.813 -12.972 -3.147 1.00 0.00 C ATOM 154 C ARG A 10 7.769 -14.100 -3.526 1.00 0.00 C ATOM 155 O ARG A 10 7.391 -15.271 -3.539 1.00 0.00 O ATOM 156 CB ARG A 10 6.324 -12.258 -4.408 1.00 0.00 C ATOM 157 CG ARG A 10 4.813 -12.275 -4.570 1.00 0.00 C ATOM 158 CD ARG A 10 4.118 -11.627 -3.383 1.00 0.00 C ATOM 159 NE ARG A 10 2.716 -11.329 -3.665 1.00 0.00 N ATOM 160 CZ ARG A 10 1.773 -12.259 -3.766 1.00 0.00 C ATOM 161 NH1 ARG A 10 2.080 -13.539 -3.610 1.00 0.00 N ATOM 162 NH2 ARG A 10 0.520 -11.909 -4.025 1.00 0.00 N ATOM 0 H ARG A 10 7.674 -11.121 -2.667 1.00 0.00 H new ATOM 0 HA ARG A 10 5.957 -13.403 -2.628 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.667 -11.224 -4.386 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.780 -12.726 -5.280 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.538 -11.750 -5.485 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.469 -13.304 -4.677 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.181 -12.290 -2.520 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.638 -10.707 -3.117 1.00 0.00 H new ATOM 0 HE ARG A 10 2.446 -10.353 -3.791 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.043 -13.812 -3.412 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.354 -14.251 -3.688 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.280 -10.925 -4.147 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.204 -12.624 -4.102 1.00 0.00 H new ATOM 176 N PHE A 11 9.010 -13.737 -3.836 1.00 0.00 N ATOM 177 CA PHE A 11 10.020 -14.717 -4.218 1.00 0.00 C ATOM 178 C PHE A 11 10.593 -15.415 -2.988 1.00 0.00 C ATOM 179 O PHE A 11 11.136 -16.516 -3.082 1.00 0.00 O ATOM 180 CB PHE A 11 11.144 -14.042 -5.006 1.00 0.00 C ATOM 181 CG PHE A 11 10.750 -13.656 -6.403 1.00 0.00 C ATOM 182 CD1 PHE A 11 10.370 -14.621 -7.321 1.00 0.00 C ATOM 183 CD2 PHE A 11 10.758 -12.328 -6.797 1.00 0.00 C ATOM 184 CE1 PHE A 11 10.007 -14.268 -8.607 1.00 0.00 C ATOM 185 CE2 PHE A 11 10.395 -11.969 -8.082 1.00 0.00 C ATOM 186 CZ PHE A 11 10.019 -12.941 -8.988 1.00 0.00 C ATOM 0 H PHE A 11 9.340 -12.772 -3.830 1.00 0.00 H new ATOM 0 HA PHE A 11 9.543 -15.466 -4.850 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.468 -13.150 -4.469 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.000 -14.715 -5.052 1.00 0.00 H new ATOM 0 HD1 PHE A 11 10.357 -15.661 -7.029 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.051 -11.564 -6.092 1.00 0.00 H new ATOM 0 HE1 PHE A 11 9.714 -15.030 -9.314 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.406 -10.930 -8.377 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.735 -12.664 -9.992 1.00 0.00 H new ATOM 196 N ASP A 12 10.469 -14.765 -1.836 1.00 0.00 N ATOM 197 CA ASP A 12 10.974 -15.322 -0.586 1.00 0.00 C ATOM 198 C ASP A 12 10.020 -16.378 -0.037 1.00 0.00 C ATOM 199 O ASP A 12 9.534 -16.267 1.089 1.00 0.00 O ATOM 200 CB ASP A 12 11.175 -14.212 0.447 1.00 0.00 C ATOM 201 CG ASP A 12 11.775 -14.727 1.740 1.00 0.00 C ATOM 202 OD1 ASP A 12 12.035 -15.945 1.830 1.00 0.00 O ATOM 203 OD2 ASP A 12 11.985 -13.912 2.664 1.00 0.00 O ATOM 0 H ASP A 12 10.023 -13.852 -1.742 1.00 0.00 H new ATOM 0 HA ASP A 12 11.934 -15.796 -0.790 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.825 -13.444 0.029 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.216 -13.738 0.658 1.00 0.00 H new ATOM 208 N THR A 13 9.754 -17.404 -0.841 1.00 0.00 N ATOM 209 CA THR A 13 8.857 -18.479 -0.437 1.00 0.00 C ATOM 210 C THR A 13 9.472 -19.844 -0.721 1.00 0.00 C ATOM 211 O THR A 13 8.813 -20.874 -0.581 1.00 0.00 O ATOM 212 CB THR A 13 7.500 -18.379 -1.159 1.00 0.00 C ATOM 213 OG1 THR A 13 7.703 -18.076 -2.544 1.00 0.00 O ATOM 214 CG2 THR A 13 6.626 -17.308 -0.523 1.00 0.00 C ATOM 0 H THR A 13 10.148 -17.512 -1.776 1.00 0.00 H new ATOM 0 HA THR A 13 8.698 -18.372 0.636 1.00 0.00 H new ATOM 0 HB THR A 13 6.993 -19.340 -1.068 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.560 -17.118 -2.694 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.673 -17.256 -1.050 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.449 -17.557 0.523 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.129 -16.343 -0.586 1.00 0.00 H new ATOM 255 N GLY A 17 13.950 -17.434 3.077 1.00 0.00 N ATOM 256 CA GLY A 17 14.749 -16.287 3.465 1.00 0.00 C ATOM 257 C GLY A 17 15.268 -15.511 2.270 1.00 0.00 C ATOM 258 O GLY A 17 14.957 -14.332 2.103 1.00 0.00 O ATOM 0 HA2 GLY A 17 14.150 -15.626 4.091 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.591 -16.623 4.070 1.00 0.00 H new ATOM 262 N LYS A 18 16.063 -16.174 1.437 1.00 0.00 N ATOM 263 CA LYS A 18 16.628 -15.540 0.251 1.00 0.00 C ATOM 264 C LYS A 18 15.730 -15.760 -0.962 1.00 0.00 C ATOM 265 O LYS A 18 14.631 -16.302 -0.843 1.00 0.00 O ATOM 266 CB LYS A 18 18.027 -16.092 -0.029 1.00 0.00 C ATOM 267 CG LYS A 18 18.892 -16.219 1.213 1.00 0.00 C ATOM 268 CD LYS A 18 20.237 -16.848 0.894 1.00 0.00 C ATOM 269 CE LYS A 18 21.253 -16.581 1.995 1.00 0.00 C ATOM 270 NZ LYS A 18 21.840 -15.217 1.888 1.00 0.00 N ATOM 0 H LYS A 18 16.331 -17.150 1.561 1.00 0.00 H new ATOM 0 HA LYS A 18 16.698 -14.469 0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 18 17.934 -17.071 -0.498 1.00 0.00 H new ATOM 0 HB3 LYS A 18 18.528 -15.441 -0.745 1.00 0.00 H new ATOM 0 HG2 LYS A 18 19.045 -15.234 1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 18 18.374 -16.823 1.958 1.00 0.00 H new ATOM 0 HD2 LYS A 18 20.115 -17.923 0.763 1.00 0.00 H new ATOM 0 HD3 LYS A 18 20.610 -16.452 -0.051 1.00 0.00 H new ATOM 0 HE2 LYS A 18 20.774 -16.695 2.967 1.00 0.00 H new ATOM 0 HE3 LYS A 18 22.049 -17.324 1.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 21.987 -14.827 2.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 22.752 -15.270 1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 21.192 -14.601 1.358 1.00 0.00 H new ATOM 284 N ILE A 19 16.206 -15.336 -2.128 1.00 0.00 N ATOM 285 CA ILE A 19 15.447 -15.489 -3.363 1.00 0.00 C ATOM 286 C ILE A 19 16.371 -15.746 -4.548 1.00 0.00 C ATOM 287 O ILE A 19 17.418 -15.112 -4.682 1.00 0.00 O ATOM 288 CB ILE A 19 14.591 -14.242 -3.656 1.00 0.00 C ATOM 289 CG1 ILE A 19 15.484 -13.012 -3.826 1.00 0.00 C ATOM 290 CG2 ILE A 19 13.581 -14.020 -2.541 1.00 0.00 C ATOM 291 CD1 ILE A 19 14.731 -11.774 -4.261 1.00 0.00 C ATOM 0 H ILE A 19 17.113 -14.884 -2.243 1.00 0.00 H new ATOM 0 HA ILE A 19 14.790 -16.347 -3.225 1.00 0.00 H new ATOM 0 HB ILE A 19 14.047 -14.403 -4.586 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.990 -12.807 -2.882 1.00 0.00 H new ATOM 0 HG13 ILE A 19 16.258 -13.234 -4.561 1.00 0.00 H new ATOM 0 HG21 ILE A 19 12.984 -13.136 -2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 19 12.928 -14.889 -2.463 1.00 0.00 H new ATOM 0 HG23 ILE A 19 14.107 -13.876 -1.597 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.427 -10.941 -4.361 1.00 0.00 H new ATOM 0 HD12 ILE A 19 14.247 -11.960 -5.220 1.00 0.00 H new ATOM 0 HD13 ILE A 19 13.975 -11.527 -3.515 1.00 0.00 H new ATOM 303 N SER A 20 15.976 -16.680 -5.408 1.00 0.00 N ATOM 304 CA SER A 20 16.770 -17.023 -6.582 1.00 0.00 C ATOM 305 C SER A 20 16.825 -15.855 -7.562 1.00 0.00 C ATOM 306 O SER A 20 15.884 -15.623 -8.322 1.00 0.00 O ATOM 307 CB SER A 20 16.189 -18.258 -7.274 1.00 0.00 C ATOM 308 OG SER A 20 17.098 -19.344 -7.228 1.00 0.00 O ATOM 0 H SER A 20 15.111 -17.212 -5.314 1.00 0.00 H new ATOM 0 HA SER A 20 17.785 -17.244 -6.251 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.254 -18.542 -6.792 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.954 -18.020 -8.311 1.00 0.00 H new ATOM 0 HG SER A 20 17.356 -19.516 -6.298 1.00 0.00 H new ATOM 314 N LEU A 21 17.932 -15.122 -7.538 1.00 0.00 N ATOM 315 CA LEU A 21 18.111 -13.977 -8.423 1.00 0.00 C ATOM 316 C LEU A 21 17.670 -14.313 -9.844 1.00 0.00 C ATOM 317 O LEU A 21 16.834 -13.622 -10.426 1.00 0.00 O ATOM 318 CB LEU A 21 19.575 -13.531 -8.423 1.00 0.00 C ATOM 319 CG LEU A 21 20.599 -14.591 -8.016 1.00 0.00 C ATOM 320 CD1 LEU A 21 21.787 -14.578 -8.966 1.00 0.00 C ATOM 321 CD2 LEU A 21 21.058 -14.365 -6.582 1.00 0.00 C ATOM 0 H LEU A 21 18.720 -15.300 -6.915 1.00 0.00 H new ATOM 0 HA LEU A 21 17.489 -13.162 -8.052 1.00 0.00 H new ATOM 0 HB2 LEU A 21 19.826 -13.177 -9.423 1.00 0.00 H new ATOM 0 HB3 LEU A 21 19.675 -12.680 -7.749 1.00 0.00 H new ATOM 0 HG LEU A 21 20.124 -15.570 -8.075 1.00 0.00 H new ATOM 0 HD11 LEU A 21 22.505 -15.339 -8.661 1.00 0.00 H new ATOM 0 HD12 LEU A 21 21.445 -14.788 -9.979 1.00 0.00 H new ATOM 0 HD13 LEU A 21 22.263 -13.598 -8.940 1.00 0.00 H new ATOM 0 HD21 LEU A 21 21.787 -15.128 -6.309 1.00 0.00 H new ATOM 0 HD22 LEU A 21 21.516 -13.379 -6.498 1.00 0.00 H new ATOM 0 HD23 LEU A 21 20.201 -14.425 -5.912 1.00 0.00 H new ATOM 333 N SER A 22 18.237 -15.381 -10.397 1.00 0.00 N ATOM 334 CA SER A 22 17.903 -15.809 -11.751 1.00 0.00 C ATOM 335 C SER A 22 16.391 -15.897 -11.936 1.00 0.00 C ATOM 336 O SER A 22 15.852 -15.443 -12.944 1.00 0.00 O ATOM 337 CB SER A 22 18.544 -17.165 -12.052 1.00 0.00 C ATOM 338 OG SER A 22 18.164 -18.134 -11.091 1.00 0.00 O ATOM 0 H SER A 22 18.929 -15.965 -9.929 1.00 0.00 H new ATOM 0 HA SER A 22 18.294 -15.067 -12.447 1.00 0.00 H new ATOM 0 HB2 SER A 22 18.247 -17.498 -13.046 1.00 0.00 H new ATOM 0 HB3 SER A 22 19.629 -17.064 -12.061 1.00 0.00 H new ATOM 0 HG SER A 22 18.586 -18.992 -11.307 1.00 0.00 H new ATOM 344 N GLU A 23 15.714 -16.483 -10.954 1.00 0.00 N ATOM 345 CA GLU A 23 14.264 -16.631 -11.008 1.00 0.00 C ATOM 346 C GLU A 23 13.578 -15.268 -11.006 1.00 0.00 C ATOM 347 O GLU A 23 12.505 -15.100 -11.588 1.00 0.00 O ATOM 348 CB GLU A 23 13.769 -17.465 -9.825 1.00 0.00 C ATOM 349 CG GLU A 23 13.971 -18.960 -10.008 1.00 0.00 C ATOM 350 CD GLU A 23 13.821 -19.732 -8.711 1.00 0.00 C ATOM 351 OE1 GLU A 23 12.824 -19.500 -7.995 1.00 0.00 O ATOM 352 OE2 GLU A 23 14.700 -20.566 -8.411 1.00 0.00 O ATOM 0 H GLU A 23 16.146 -16.863 -10.112 1.00 0.00 H new ATOM 0 HA GLU A 23 14.011 -17.145 -11.936 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.289 -17.144 -8.922 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.709 -17.266 -9.670 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.250 -19.334 -10.735 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.963 -19.141 -10.422 1.00 0.00 H new ATOM 359 N LEU A 24 14.203 -14.299 -10.348 1.00 0.00 N ATOM 360 CA LEU A 24 13.654 -12.950 -10.269 1.00 0.00 C ATOM 361 C LEU A 24 13.917 -12.178 -11.558 1.00 0.00 C ATOM 362 O LEU A 24 12.986 -11.721 -12.223 1.00 0.00 O ATOM 363 CB LEU A 24 14.258 -12.200 -9.080 1.00 0.00 C ATOM 364 CG LEU A 24 13.627 -10.848 -8.748 1.00 0.00 C ATOM 365 CD1 LEU A 24 13.778 -10.537 -7.267 1.00 0.00 C ATOM 366 CD2 LEU A 24 14.251 -9.746 -9.592 1.00 0.00 C ATOM 0 H LEU A 24 15.091 -14.422 -9.861 1.00 0.00 H new ATOM 0 HA LEU A 24 12.576 -13.032 -10.129 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.186 -12.838 -8.199 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.319 -12.045 -9.275 1.00 0.00 H new ATOM 0 HG LEU A 24 12.563 -10.899 -8.981 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.323 -9.571 -7.050 1.00 0.00 H new ATOM 0 HD12 LEU A 24 13.283 -11.311 -6.680 1.00 0.00 H new ATOM 0 HD13 LEU A 24 14.836 -10.506 -7.008 1.00 0.00 H new ATOM 0 HD21 LEU A 24 13.789 -8.791 -9.342 1.00 0.00 H new ATOM 0 HD22 LEU A 24 15.321 -9.696 -9.391 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.090 -9.961 -10.648 1.00 0.00 H new ATOM 378 N THR A 25 15.192 -12.037 -11.908 1.00 0.00 N ATOM 379 CA THR A 25 15.578 -11.322 -13.118 1.00 0.00 C ATOM 380 C THR A 25 14.869 -11.891 -14.342 1.00 0.00 C ATOM 381 O THR A 25 14.718 -11.209 -15.356 1.00 0.00 O ATOM 382 CB THR A 25 17.100 -11.384 -13.345 1.00 0.00 C ATOM 383 OG1 THR A 25 17.452 -10.634 -14.513 1.00 0.00 O ATOM 384 CG2 THR A 25 17.566 -12.823 -13.500 1.00 0.00 C ATOM 0 H THR A 25 15.975 -12.409 -11.370 1.00 0.00 H new ATOM 0 HA THR A 25 15.281 -10.282 -12.980 1.00 0.00 H new ATOM 0 HB THR A 25 17.593 -10.952 -12.474 1.00 0.00 H new ATOM 0 HG1 THR A 25 16.754 -9.972 -14.699 1.00 0.00 H new ATOM 0 HG21 THR A 25 18.644 -12.841 -13.659 1.00 0.00 H new ATOM 0 HG22 THR A 25 17.323 -13.383 -12.597 1.00 0.00 H new ATOM 0 HG23 THR A 25 17.065 -13.278 -14.355 1.00 0.00 H new ATOM 392 N ASP A 26 14.436 -13.142 -14.241 1.00 0.00 N ATOM 393 CA ASP A 26 13.742 -13.802 -15.340 1.00 0.00 C ATOM 394 C ASP A 26 12.230 -13.716 -15.157 1.00 0.00 C ATOM 395 O ASP A 26 11.469 -13.880 -16.110 1.00 0.00 O ATOM 396 CB ASP A 26 14.174 -15.266 -15.440 1.00 0.00 C ATOM 397 CG ASP A 26 13.985 -15.832 -16.833 1.00 0.00 C ATOM 398 OD1 ASP A 26 12.871 -16.311 -17.133 1.00 0.00 O ATOM 399 OD2 ASP A 26 14.951 -15.797 -17.624 1.00 0.00 O ATOM 0 H ASP A 26 14.553 -13.720 -13.409 1.00 0.00 H new ATOM 0 HA ASP A 26 14.008 -13.290 -16.265 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.223 -15.352 -15.155 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.600 -15.860 -14.729 1.00 0.00 H new ATOM 404 N ALA A 27 11.802 -13.460 -13.925 1.00 0.00 N ATOM 405 CA ALA A 27 10.381 -13.352 -13.617 1.00 0.00 C ATOM 406 C ALA A 27 9.947 -11.893 -13.532 1.00 0.00 C ATOM 407 O ALA A 27 8.960 -11.565 -12.873 1.00 0.00 O ATOM 408 CB ALA A 27 10.067 -14.075 -12.316 1.00 0.00 C ATOM 0 H ALA A 27 12.419 -13.324 -13.124 1.00 0.00 H new ATOM 0 HA ALA A 27 9.822 -13.823 -14.426 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.003 -13.986 -12.098 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.331 -15.128 -12.412 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.642 -13.629 -11.504 1.00 0.00 H new ATOM 414 N LEU A 28 10.691 -11.019 -14.202 1.00 0.00 N ATOM 415 CA LEU A 28 10.384 -9.593 -14.202 1.00 0.00 C ATOM 416 C LEU A 28 9.733 -9.176 -15.517 1.00 0.00 C ATOM 417 O LEU A 28 8.622 -8.647 -15.530 1.00 0.00 O ATOM 418 CB LEU A 28 11.656 -8.777 -13.967 1.00 0.00 C ATOM 419 CG LEU A 28 11.989 -8.456 -12.510 1.00 0.00 C ATOM 420 CD1 LEU A 28 13.495 -8.395 -12.307 1.00 0.00 C ATOM 421 CD2 LEU A 28 11.339 -7.145 -12.091 1.00 0.00 C ATOM 0 H LEU A 28 11.511 -11.273 -14.752 1.00 0.00 H new ATOM 0 HA LEU A 28 9.681 -9.398 -13.392 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.497 -9.320 -14.400 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.567 -7.838 -14.514 1.00 0.00 H new ATOM 0 HG LEU A 28 11.591 -9.253 -11.882 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.713 -8.165 -11.264 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.936 -9.357 -12.566 1.00 0.00 H new ATOM 0 HD13 LEU A 28 13.917 -7.618 -12.945 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.587 -6.932 -11.051 1.00 0.00 H new ATOM 0 HD22 LEU A 28 11.707 -6.338 -12.724 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.257 -7.225 -12.197 1.00 0.00 H new ATOM 433 N ARG A 29 10.433 -9.420 -16.620 1.00 0.00 N ATOM 434 CA ARG A 29 9.923 -9.070 -17.941 1.00 0.00 C ATOM 435 C ARG A 29 8.577 -9.741 -18.199 1.00 0.00 C ATOM 436 O ARG A 29 7.796 -9.290 -19.038 1.00 0.00 O ATOM 437 CB ARG A 29 10.924 -9.479 -19.022 1.00 0.00 C ATOM 438 CG ARG A 29 10.991 -8.508 -20.189 1.00 0.00 C ATOM 439 CD ARG A 29 12.175 -7.562 -20.059 1.00 0.00 C ATOM 440 NE ARG A 29 12.564 -6.992 -21.346 1.00 0.00 N ATOM 441 CZ ARG A 29 11.829 -6.107 -22.010 1.00 0.00 C ATOM 442 NH1 ARG A 29 10.673 -5.693 -21.510 1.00 0.00 N ATOM 443 NH2 ARG A 29 12.251 -5.634 -23.176 1.00 0.00 N ATOM 0 H ARG A 29 11.354 -9.858 -16.626 1.00 0.00 H new ATOM 0 HA ARG A 29 9.784 -7.989 -17.975 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.914 -9.565 -18.575 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.657 -10.467 -19.397 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.069 -9.065 -21.123 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.067 -7.932 -20.238 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.922 -6.758 -19.368 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.021 -8.098 -19.629 1.00 0.00 H new ATOM 0 HE ARG A 29 13.449 -7.290 -21.758 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.346 -6.054 -20.614 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.110 -5.013 -22.022 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.140 -5.950 -23.563 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.686 -4.954 -23.685 1.00 0.00 H new ATOM 457 N THR A 30 8.310 -10.821 -17.471 1.00 0.00 N ATOM 458 CA THR A 30 7.060 -11.555 -17.622 1.00 0.00 C ATOM 459 C THR A 30 5.922 -10.861 -16.883 1.00 0.00 C ATOM 460 O THR A 30 4.749 -11.159 -17.108 1.00 0.00 O ATOM 461 CB THR A 30 7.190 -12.999 -17.101 1.00 0.00 C ATOM 462 OG1 THR A 30 6.009 -13.743 -17.420 1.00 0.00 O ATOM 463 CG2 THR A 30 7.414 -13.013 -15.596 1.00 0.00 C ATOM 0 H THR A 30 8.943 -11.207 -16.771 1.00 0.00 H new ATOM 0 HA THR A 30 6.835 -11.580 -18.688 1.00 0.00 H new ATOM 0 HB THR A 30 8.051 -13.460 -17.585 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.236 -13.140 -17.433 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.503 -14.043 -15.251 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.330 -12.471 -15.359 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.570 -12.535 -15.098 1.00 0.00 H new ATOM 471 N LEU A 31 6.276 -9.934 -15.999 1.00 0.00 N ATOM 472 CA LEU A 31 5.283 -9.195 -15.226 1.00 0.00 C ATOM 473 C LEU A 31 5.079 -7.796 -15.798 1.00 0.00 C ATOM 474 O LEU A 31 4.448 -6.945 -15.173 1.00 0.00 O ATOM 475 CB LEU A 31 5.714 -9.102 -13.762 1.00 0.00 C ATOM 476 CG LEU A 31 6.139 -10.415 -13.102 1.00 0.00 C ATOM 477 CD1 LEU A 31 6.677 -10.159 -11.703 1.00 0.00 C ATOM 478 CD2 LEU A 31 4.973 -11.391 -13.057 1.00 0.00 C ATOM 0 H LEU A 31 7.243 -9.676 -15.800 1.00 0.00 H new ATOM 0 HA LEU A 31 4.337 -9.733 -15.286 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.544 -8.399 -13.692 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.889 -8.680 -13.187 1.00 0.00 H new ATOM 0 HG LEU A 31 6.935 -10.859 -13.700 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.974 -11.104 -11.249 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.541 -9.497 -11.761 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.902 -9.692 -11.095 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.294 -12.319 -12.584 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.155 -10.955 -12.483 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.633 -11.599 -14.072 1.00 0.00 H new ATOM 490 N GLY A 32 5.616 -7.566 -16.993 1.00 0.00 N ATOM 491 CA GLY A 32 5.479 -6.269 -17.630 1.00 0.00 C ATOM 492 C GLY A 32 6.532 -5.282 -17.166 1.00 0.00 C ATOM 493 O GLY A 32 6.206 -4.202 -16.673 1.00 0.00 O ATOM 0 H GLY A 32 6.143 -8.254 -17.531 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.549 -6.389 -18.711 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.489 -5.866 -17.418 1.00 0.00 H new ATOM 497 N SER A 33 7.799 -5.653 -17.323 1.00 0.00 N ATOM 498 CA SER A 33 8.903 -4.794 -16.911 1.00 0.00 C ATOM 499 C SER A 33 9.735 -4.364 -18.115 1.00 0.00 C ATOM 500 O SER A 33 9.344 -4.577 -19.264 1.00 0.00 O ATOM 501 CB SER A 33 9.790 -5.518 -15.897 1.00 0.00 C ATOM 502 OG SER A 33 9.008 -6.177 -14.915 1.00 0.00 O ATOM 0 H SER A 33 8.086 -6.542 -17.732 1.00 0.00 H new ATOM 0 HA SER A 33 8.483 -3.903 -16.444 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.420 -6.243 -16.412 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.457 -4.802 -15.416 1.00 0.00 H new ATOM 0 HG SER A 33 8.597 -6.976 -15.306 1.00 0.00 H new ATOM 508 N THR A 34 10.887 -3.758 -17.845 1.00 0.00 N ATOM 509 CA THR A 34 11.775 -3.297 -18.905 1.00 0.00 C ATOM 510 C THR A 34 13.227 -3.646 -18.596 1.00 0.00 C ATOM 511 O THR A 34 13.931 -4.211 -19.433 1.00 0.00 O ATOM 512 CB THR A 34 11.658 -1.776 -19.114 1.00 0.00 C ATOM 513 OG1 THR A 34 10.503 -1.275 -18.431 1.00 0.00 O ATOM 514 CG2 THR A 34 11.564 -1.438 -20.594 1.00 0.00 C ATOM 0 H THR A 34 11.227 -3.575 -16.901 1.00 0.00 H new ATOM 0 HA THR A 34 11.468 -3.806 -19.818 1.00 0.00 H new ATOM 0 HB THR A 34 12.553 -1.306 -18.707 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.437 -0.307 -18.567 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.482 -0.358 -20.716 1.00 0.00 H new ATOM 0 HG22 THR A 34 12.458 -1.794 -21.106 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.685 -1.919 -21.022 1.00 0.00 H new ATOM 522 N SER A 35 13.668 -3.305 -17.389 1.00 0.00 N ATOM 523 CA SER A 35 15.038 -3.580 -16.971 1.00 0.00 C ATOM 524 C SER A 35 15.151 -4.974 -16.363 1.00 0.00 C ATOM 525 O SER A 35 15.314 -5.123 -15.152 1.00 0.00 O ATOM 526 CB SER A 35 15.505 -2.530 -15.961 1.00 0.00 C ATOM 527 OG SER A 35 16.054 -1.400 -16.616 1.00 0.00 O ATOM 0 H SER A 35 13.097 -2.838 -16.684 1.00 0.00 H new ATOM 0 HA SER A 35 15.677 -3.535 -17.853 1.00 0.00 H new ATOM 0 HB2 SER A 35 14.665 -2.221 -15.339 1.00 0.00 H new ATOM 0 HB3 SER A 35 16.250 -2.967 -15.296 1.00 0.00 H new ATOM 0 HG SER A 35 16.344 -0.744 -15.948 1.00 0.00 H new ATOM 533 N ALA A 36 15.064 -5.992 -17.212 1.00 0.00 N ATOM 534 CA ALA A 36 15.159 -7.375 -16.760 1.00 0.00 C ATOM 535 C ALA A 36 16.406 -8.051 -17.318 1.00 0.00 C ATOM 536 O ALA A 36 17.200 -8.624 -16.572 1.00 0.00 O ATOM 537 CB ALA A 36 13.912 -8.148 -17.163 1.00 0.00 C ATOM 0 H ALA A 36 14.928 -5.885 -18.217 1.00 0.00 H new ATOM 0 HA ALA A 36 15.236 -7.371 -15.673 1.00 0.00 H new ATOM 0 HB1 ALA A 36 13.996 -9.179 -16.819 1.00 0.00 H new ATOM 0 HB2 ALA A 36 13.035 -7.685 -16.711 1.00 0.00 H new ATOM 0 HB3 ALA A 36 13.810 -8.134 -18.248 1.00 0.00 H new ATOM 543 N ASP A 37 16.572 -7.982 -18.634 1.00 0.00 N ATOM 544 CA ASP A 37 17.724 -8.587 -19.293 1.00 0.00 C ATOM 545 C ASP A 37 18.999 -7.810 -18.980 1.00 0.00 C ATOM 546 O ASP A 37 20.098 -8.364 -19.015 1.00 0.00 O ATOM 547 CB ASP A 37 17.503 -8.642 -20.805 1.00 0.00 C ATOM 548 CG ASP A 37 18.453 -9.601 -21.495 1.00 0.00 C ATOM 549 OD1 ASP A 37 18.658 -10.715 -20.968 1.00 0.00 O ATOM 550 OD2 ASP A 37 18.991 -9.239 -22.562 1.00 0.00 O ATOM 0 H ASP A 37 15.923 -7.513 -19.266 1.00 0.00 H new ATOM 0 HA ASP A 37 17.837 -9.603 -18.914 1.00 0.00 H new ATOM 0 HB2 ASP A 37 16.476 -8.944 -21.008 1.00 0.00 H new ATOM 0 HB3 ASP A 37 17.631 -7.644 -21.224 1.00 0.00 H new ATOM 555 N GLU A 38 18.844 -6.526 -18.677 1.00 0.00 N ATOM 556 CA GLU A 38 19.984 -5.673 -18.360 1.00 0.00 C ATOM 557 C GLU A 38 20.787 -6.249 -17.197 1.00 0.00 C ATOM 558 O GLU A 38 21.999 -6.052 -17.108 1.00 0.00 O ATOM 559 CB GLU A 38 19.512 -4.258 -18.018 1.00 0.00 C ATOM 560 CG GLU A 38 18.790 -4.164 -16.684 1.00 0.00 C ATOM 561 CD GLU A 38 18.599 -2.731 -16.225 1.00 0.00 C ATOM 562 OE1 GLU A 38 18.566 -1.830 -17.088 1.00 0.00 O ATOM 563 OE2 GLU A 38 18.481 -2.512 -15.001 1.00 0.00 O ATOM 0 H GLU A 38 17.941 -6.053 -18.644 1.00 0.00 H new ATOM 0 HA GLU A 38 20.628 -5.630 -19.238 1.00 0.00 H new ATOM 0 HB2 GLU A 38 20.373 -3.590 -18.003 1.00 0.00 H new ATOM 0 HB3 GLU A 38 18.848 -3.905 -18.807 1.00 0.00 H new ATOM 0 HG2 GLU A 38 17.817 -4.648 -16.767 1.00 0.00 H new ATOM 0 HG3 GLU A 38 19.355 -4.711 -15.930 1.00 0.00 H new ATOM 570 N VAL A 39 20.102 -6.960 -16.307 1.00 0.00 N ATOM 571 CA VAL A 39 20.751 -7.564 -15.149 1.00 0.00 C ATOM 572 C VAL A 39 20.736 -9.086 -15.244 1.00 0.00 C ATOM 573 O VAL A 39 21.450 -9.769 -14.511 1.00 0.00 O ATOM 574 CB VAL A 39 20.068 -7.136 -13.837 1.00 0.00 C ATOM 575 CG1 VAL A 39 18.576 -7.426 -13.891 1.00 0.00 C ATOM 576 CG2 VAL A 39 20.713 -7.835 -12.649 1.00 0.00 C ATOM 0 H VAL A 39 19.098 -7.132 -16.366 1.00 0.00 H new ATOM 0 HA VAL A 39 21.783 -7.213 -15.144 1.00 0.00 H new ATOM 0 HB VAL A 39 20.200 -6.061 -13.713 1.00 0.00 H new ATOM 0 HG11 VAL A 39 18.111 -7.117 -12.955 1.00 0.00 H new ATOM 0 HG12 VAL A 39 18.128 -6.875 -14.718 1.00 0.00 H new ATOM 0 HG13 VAL A 39 18.418 -8.494 -14.039 1.00 0.00 H new ATOM 0 HG21 VAL A 39 20.218 -7.521 -11.730 1.00 0.00 H new ATOM 0 HG22 VAL A 39 20.614 -8.914 -12.764 1.00 0.00 H new ATOM 0 HG23 VAL A 39 21.769 -7.571 -12.601 1.00 0.00 H new ATOM 586 N GLN A 40 19.919 -9.609 -16.152 1.00 0.00 N ATOM 587 CA GLN A 40 19.811 -11.051 -16.342 1.00 0.00 C ATOM 588 C GLN A 40 21.147 -11.643 -16.778 1.00 0.00 C ATOM 589 O GLN A 40 21.348 -12.857 -16.720 1.00 0.00 O ATOM 590 CB GLN A 40 18.735 -11.371 -17.381 1.00 0.00 C ATOM 591 CG GLN A 40 18.126 -12.754 -17.220 1.00 0.00 C ATOM 592 CD GLN A 40 18.423 -13.663 -18.396 1.00 0.00 C ATOM 593 OE1 GLN A 40 18.406 -13.232 -19.549 1.00 0.00 O ATOM 594 NE2 GLN A 40 18.698 -14.931 -18.110 1.00 0.00 N ATOM 0 H GLN A 40 19.322 -9.056 -16.768 1.00 0.00 H new ATOM 0 HA GLN A 40 19.529 -11.498 -15.389 1.00 0.00 H new ATOM 0 HB2 GLN A 40 17.944 -10.625 -17.314 1.00 0.00 H new ATOM 0 HB3 GLN A 40 19.168 -11.288 -18.378 1.00 0.00 H new ATOM 0 HG2 GLN A 40 18.508 -13.211 -16.307 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.047 -12.660 -17.102 1.00 0.00 H new ATOM 0 HE21 GLN A 40 18.701 -15.246 -17.140 1.00 0.00 H new ATOM 0 HE22 GLN A 40 18.906 -15.590 -18.861 1.00 0.00 H new ATOM 603 N ARG A 41 22.058 -10.779 -17.215 1.00 0.00 N ATOM 604 CA ARG A 41 23.374 -11.218 -17.662 1.00 0.00 C ATOM 605 C ARG A 41 24.476 -10.568 -16.830 1.00 0.00 C ATOM 606 O ARG A 41 25.654 -10.642 -17.176 1.00 0.00 O ATOM 607 CB ARG A 41 23.572 -10.881 -19.141 1.00 0.00 C ATOM 608 CG ARG A 41 23.569 -9.390 -19.432 1.00 0.00 C ATOM 609 CD ARG A 41 24.621 -9.021 -20.467 1.00 0.00 C ATOM 610 NE ARG A 41 24.164 -9.283 -21.829 1.00 0.00 N ATOM 611 CZ ARG A 41 23.276 -8.527 -22.465 1.00 0.00 C ATOM 612 NH1 ARG A 41 22.753 -7.467 -21.865 1.00 0.00 N ATOM 613 NH2 ARG A 41 22.911 -8.830 -23.704 1.00 0.00 N ATOM 0 H ARG A 41 21.908 -9.771 -17.269 1.00 0.00 H new ATOM 0 HA ARG A 41 23.433 -12.298 -17.531 1.00 0.00 H new ATOM 0 HB2 ARG A 41 24.517 -11.306 -19.478 1.00 0.00 H new ATOM 0 HB3 ARG A 41 22.783 -11.357 -19.722 1.00 0.00 H new ATOM 0 HG2 ARG A 41 22.584 -9.090 -19.790 1.00 0.00 H new ATOM 0 HG3 ARG A 41 23.755 -8.838 -18.511 1.00 0.00 H new ATOM 0 HD2 ARG A 41 24.874 -7.966 -20.366 1.00 0.00 H new ATOM 0 HD3 ARG A 41 25.532 -9.587 -20.275 1.00 0.00 H new ATOM 0 HE ARG A 41 24.548 -10.091 -22.319 1.00 0.00 H new ATOM 0 HH11 ARG A 41 23.032 -7.230 -20.913 1.00 0.00 H new ATOM 0 HH12 ARG A 41 22.071 -6.888 -22.355 1.00 0.00 H new ATOM 0 HH21 ARG A 41 23.312 -9.644 -24.169 1.00 0.00 H new ATOM 0 HH22 ARG A 41 22.229 -8.249 -24.191 1.00 0.00 H new ATOM 627 N MET A 42 24.082 -9.930 -15.733 1.00 0.00 N ATOM 628 CA MET A 42 25.037 -9.267 -14.851 1.00 0.00 C ATOM 629 C MET A 42 24.563 -9.316 -13.402 1.00 0.00 C ATOM 630 O MET A 42 24.991 -8.514 -12.572 1.00 0.00 O ATOM 631 CB MET A 42 25.239 -7.814 -15.284 1.00 0.00 C ATOM 632 CG MET A 42 24.178 -6.866 -14.750 1.00 0.00 C ATOM 633 SD MET A 42 24.872 -5.543 -13.741 1.00 0.00 S ATOM 634 CE MET A 42 25.482 -4.435 -15.008 1.00 0.00 C ATOM 0 H MET A 42 23.110 -9.858 -15.433 1.00 0.00 H new ATOM 0 HA MET A 42 25.987 -9.796 -14.922 1.00 0.00 H new ATOM 0 HB2 MET A 42 26.219 -7.476 -14.947 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.243 -7.765 -16.373 1.00 0.00 H new ATOM 0 HG2 MET A 42 23.631 -6.431 -15.586 1.00 0.00 H new ATOM 0 HG3 MET A 42 23.458 -7.430 -14.157 1.00 0.00 H new ATOM 0 HE1 MET A 42 25.941 -3.564 -14.540 1.00 0.00 H new ATOM 0 HE2 MET A 42 26.223 -4.952 -15.618 1.00 0.00 H new ATOM 0 HE3 MET A 42 24.654 -4.113 -15.639 1.00 0.00 H new ATOM 644 N MET A 43 23.677 -10.262 -13.105 1.00 0.00 N ATOM 645 CA MET A 43 23.147 -10.415 -11.756 1.00 0.00 C ATOM 646 C MET A 43 24.180 -11.058 -10.835 1.00 0.00 C ATOM 647 O MET A 43 24.119 -10.904 -9.616 1.00 0.00 O ATOM 648 CB MET A 43 21.872 -11.260 -11.779 1.00 0.00 C ATOM 649 CG MET A 43 22.120 -12.727 -12.090 1.00 0.00 C ATOM 650 SD MET A 43 20.892 -13.416 -13.216 1.00 0.00 S ATOM 651 CE MET A 43 21.527 -15.077 -13.434 1.00 0.00 C ATOM 0 H MET A 43 23.312 -10.933 -13.781 1.00 0.00 H new ATOM 0 HA MET A 43 22.911 -9.423 -11.371 1.00 0.00 H new ATOM 0 HB2 MET A 43 21.376 -11.181 -10.811 1.00 0.00 H new ATOM 0 HB3 MET A 43 21.188 -10.850 -12.522 1.00 0.00 H new ATOM 0 HG2 MET A 43 23.112 -12.839 -12.528 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.116 -13.297 -11.161 1.00 0.00 H new ATOM 0 HE1 MET A 43 20.873 -15.631 -14.108 1.00 0.00 H new ATOM 0 HE2 MET A 43 22.530 -15.030 -13.858 1.00 0.00 H new ATOM 0 HE3 MET A 43 21.565 -15.582 -12.469 1.00 0.00 H new ATOM 661 N ALA A 44 25.127 -11.778 -11.427 1.00 0.00 N ATOM 662 CA ALA A 44 26.173 -12.442 -10.660 1.00 0.00 C ATOM 663 C ALA A 44 27.405 -11.554 -10.529 1.00 0.00 C ATOM 664 O ALA A 44 28.489 -12.027 -10.189 1.00 0.00 O ATOM 665 CB ALA A 44 26.543 -13.768 -11.309 1.00 0.00 C ATOM 0 H ALA A 44 25.191 -11.916 -12.436 1.00 0.00 H new ATOM 0 HA ALA A 44 25.788 -12.635 -9.659 1.00 0.00 H new ATOM 0 HB1 ALA A 44 27.325 -14.253 -10.725 1.00 0.00 H new ATOM 0 HB2 ALA A 44 25.665 -14.413 -11.345 1.00 0.00 H new ATOM 0 HB3 ALA A 44 26.904 -13.589 -12.322 1.00 0.00 H new ATOM 671 N GLU A 45 27.231 -10.264 -10.801 1.00 0.00 N ATOM 672 CA GLU A 45 28.331 -9.310 -10.715 1.00 0.00 C ATOM 673 C GLU A 45 27.870 -8.005 -10.073 1.00 0.00 C ATOM 674 O GLU A 45 28.482 -6.955 -10.268 1.00 0.00 O ATOM 675 CB GLU A 45 28.905 -9.032 -12.106 1.00 0.00 C ATOM 676 CG GLU A 45 27.927 -8.340 -13.040 1.00 0.00 C ATOM 677 CD GLU A 45 28.573 -7.905 -14.341 1.00 0.00 C ATOM 678 OE1 GLU A 45 29.180 -8.761 -15.017 1.00 0.00 O ATOM 679 OE2 GLU A 45 28.471 -6.708 -14.684 1.00 0.00 O ATOM 0 H GLU A 45 26.340 -9.856 -11.083 1.00 0.00 H new ATOM 0 HA GLU A 45 29.109 -9.748 -10.090 1.00 0.00 H new ATOM 0 HB2 GLU A 45 29.797 -8.414 -12.005 1.00 0.00 H new ATOM 0 HB3 GLU A 45 29.219 -9.974 -12.555 1.00 0.00 H new ATOM 0 HG2 GLU A 45 27.099 -9.014 -13.257 1.00 0.00 H new ATOM 0 HG3 GLU A 45 27.506 -7.469 -12.539 1.00 0.00 H new ATOM 686 N ILE A 46 26.786 -8.080 -9.307 1.00 0.00 N ATOM 687 CA ILE A 46 26.243 -6.905 -8.636 1.00 0.00 C ATOM 688 C ILE A 46 26.307 -7.060 -7.120 1.00 0.00 C ATOM 689 O ILE A 46 26.360 -6.072 -6.387 1.00 0.00 O ATOM 690 CB ILE A 46 24.784 -6.643 -9.053 1.00 0.00 C ATOM 691 CG1 ILE A 46 24.006 -7.959 -9.121 1.00 0.00 C ATOM 692 CG2 ILE A 46 24.737 -5.923 -10.393 1.00 0.00 C ATOM 693 CD1 ILE A 46 22.616 -7.870 -8.531 1.00 0.00 C ATOM 0 H ILE A 46 26.267 -8.941 -9.136 1.00 0.00 H new ATOM 0 HA ILE A 46 26.857 -6.056 -8.939 1.00 0.00 H new ATOM 0 HB ILE A 46 24.316 -6.005 -8.303 1.00 0.00 H new ATOM 0 HG12 ILE A 46 23.931 -8.274 -10.162 1.00 0.00 H new ATOM 0 HG13 ILE A 46 24.567 -8.731 -8.594 1.00 0.00 H new ATOM 0 HG21 ILE A 46 23.699 -5.745 -10.674 1.00 0.00 H new ATOM 0 HG22 ILE A 46 25.260 -4.970 -10.312 1.00 0.00 H new ATOM 0 HG23 ILE A 46 25.219 -6.538 -11.153 1.00 0.00 H new ATOM 0 HD11 ILE A 46 22.123 -8.839 -8.613 1.00 0.00 H new ATOM 0 HD12 ILE A 46 22.684 -7.586 -7.481 1.00 0.00 H new ATOM 0 HD13 ILE A 46 22.038 -7.121 -9.073 1.00 0.00 H new ATOM 705 N ASP A 47 26.303 -8.305 -6.657 1.00 0.00 N ATOM 706 CA ASP A 47 26.363 -8.590 -5.228 1.00 0.00 C ATOM 707 C ASP A 47 26.496 -10.088 -4.978 1.00 0.00 C ATOM 708 O ASP A 47 27.363 -10.529 -4.221 1.00 0.00 O ATOM 709 CB ASP A 47 25.115 -8.052 -4.526 1.00 0.00 C ATOM 710 CG ASP A 47 25.453 -7.123 -3.376 1.00 0.00 C ATOM 711 OD1 ASP A 47 25.828 -7.627 -2.297 1.00 0.00 O ATOM 712 OD2 ASP A 47 25.343 -5.893 -3.556 1.00 0.00 O ATOM 0 H ASP A 47 26.259 -9.133 -7.251 1.00 0.00 H new ATOM 0 HA ASP A 47 27.243 -8.092 -4.820 1.00 0.00 H new ATOM 0 HB2 ASP A 47 24.496 -7.521 -5.249 1.00 0.00 H new ATOM 0 HB3 ASP A 47 24.523 -8.888 -4.152 1.00 0.00 H new ATOM 717 N THR A 48 25.632 -10.870 -5.618 1.00 0.00 N ATOM 718 CA THR A 48 25.651 -12.319 -5.463 1.00 0.00 C ATOM 719 C THR A 48 27.029 -12.887 -5.782 1.00 0.00 C ATOM 720 O THR A 48 27.406 -13.008 -6.948 1.00 0.00 O ATOM 721 CB THR A 48 24.606 -12.995 -6.371 1.00 0.00 C ATOM 722 OG1 THR A 48 23.411 -12.206 -6.414 1.00 0.00 O ATOM 723 CG2 THR A 48 24.279 -14.394 -5.872 1.00 0.00 C ATOM 0 H THR A 48 24.910 -10.523 -6.249 1.00 0.00 H new ATOM 0 HA THR A 48 25.406 -12.529 -4.422 1.00 0.00 H new ATOM 0 HB THR A 48 25.025 -13.074 -7.374 1.00 0.00 H new ATOM 0 HG1 THR A 48 23.065 -12.186 -7.331 1.00 0.00 H new ATOM 0 HG21 THR A 48 23.539 -14.851 -6.529 1.00 0.00 H new ATOM 0 HG22 THR A 48 25.185 -15.000 -5.869 1.00 0.00 H new ATOM 0 HG23 THR A 48 23.878 -14.335 -4.860 1.00 0.00 H new ATOM 731 N ASP A 49 27.776 -13.236 -4.740 1.00 0.00 N ATOM 732 CA ASP A 49 29.112 -13.794 -4.910 1.00 0.00 C ATOM 733 C ASP A 49 29.077 -15.024 -5.811 1.00 0.00 C ATOM 734 O ASP A 49 29.996 -15.260 -6.593 1.00 0.00 O ATOM 735 CB ASP A 49 29.712 -14.159 -3.551 1.00 0.00 C ATOM 736 CG ASP A 49 29.800 -12.967 -2.619 1.00 0.00 C ATOM 737 OD1 ASP A 49 29.868 -11.825 -3.120 1.00 0.00 O ATOM 738 OD2 ASP A 49 29.802 -13.176 -1.388 1.00 0.00 O ATOM 0 H ASP A 49 27.479 -13.142 -3.769 1.00 0.00 H new ATOM 0 HA ASP A 49 29.737 -13.037 -5.383 1.00 0.00 H new ATOM 0 HB2 ASP A 49 29.105 -14.936 -3.086 1.00 0.00 H new ATOM 0 HB3 ASP A 49 30.708 -14.577 -3.697 1.00 0.00 H new ATOM 743 N GLY A 50 28.008 -15.807 -5.695 1.00 0.00 N ATOM 744 CA GLY A 50 27.873 -17.004 -6.504 1.00 0.00 C ATOM 745 C GLY A 50 27.053 -18.078 -5.817 1.00 0.00 C ATOM 746 O GLY A 50 27.425 -19.252 -5.824 1.00 0.00 O ATOM 0 H GLY A 50 27.233 -15.633 -5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 50 27.405 -16.746 -7.454 1.00 0.00 H new ATOM 0 HA3 GLY A 50 28.863 -17.398 -6.733 1.00 0.00 H new ATOM 750 N ASP A 51 25.935 -17.677 -5.221 1.00 0.00 N ATOM 751 CA ASP A 51 25.060 -18.614 -4.526 1.00 0.00 C ATOM 752 C ASP A 51 23.734 -18.768 -5.264 1.00 0.00 C ATOM 753 O ASP A 51 22.937 -19.651 -4.950 1.00 0.00 O ATOM 754 CB ASP A 51 24.810 -18.143 -3.093 1.00 0.00 C ATOM 755 CG ASP A 51 24.660 -19.298 -2.122 1.00 0.00 C ATOM 756 OD1 ASP A 51 25.655 -20.019 -1.900 1.00 0.00 O ATOM 757 OD2 ASP A 51 23.548 -19.480 -1.584 1.00 0.00 O ATOM 0 H ASP A 51 25.613 -16.709 -5.205 1.00 0.00 H new ATOM 0 HA ASP A 51 25.555 -19.585 -4.499 1.00 0.00 H new ATOM 0 HB2 ASP A 51 25.636 -17.508 -2.773 1.00 0.00 H new ATOM 0 HB3 ASP A 51 23.909 -17.531 -3.067 1.00 0.00 H new ATOM 762 N GLY A 52 23.504 -17.902 -6.246 1.00 0.00 N ATOM 763 CA GLY A 52 22.273 -17.958 -7.012 1.00 0.00 C ATOM 764 C GLY A 52 21.086 -17.413 -6.242 1.00 0.00 C ATOM 765 O GLY A 52 19.963 -17.398 -6.747 1.00 0.00 O ATOM 0 H GLY A 52 24.149 -17.162 -6.525 1.00 0.00 H new ATOM 0 HA2 GLY A 52 22.396 -17.390 -7.934 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.073 -18.991 -7.298 1.00 0.00 H new ATOM 769 N PHE A 53 21.333 -16.964 -5.016 1.00 0.00 N ATOM 770 CA PHE A 53 20.276 -16.418 -4.174 1.00 0.00 C ATOM 771 C PHE A 53 20.732 -15.129 -3.496 1.00 0.00 C ATOM 772 O PHE A 53 21.895 -14.740 -3.597 1.00 0.00 O ATOM 773 CB PHE A 53 19.855 -17.442 -3.118 1.00 0.00 C ATOM 774 CG PHE A 53 19.046 -18.579 -3.674 1.00 0.00 C ATOM 775 CD1 PHE A 53 19.670 -19.679 -4.240 1.00 0.00 C ATOM 776 CD2 PHE A 53 17.662 -18.547 -3.632 1.00 0.00 C ATOM 777 CE1 PHE A 53 18.929 -20.727 -4.752 1.00 0.00 C ATOM 778 CE2 PHE A 53 16.915 -19.592 -4.142 1.00 0.00 C ATOM 779 CZ PHE A 53 17.549 -20.683 -4.704 1.00 0.00 C ATOM 0 H PHE A 53 22.257 -16.968 -4.583 1.00 0.00 H new ATOM 0 HA PHE A 53 19.421 -16.190 -4.810 1.00 0.00 H new ATOM 0 HB2 PHE A 53 20.747 -17.843 -2.636 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.275 -16.938 -2.345 1.00 0.00 H new ATOM 0 HD1 PHE A 53 20.749 -19.718 -4.282 1.00 0.00 H new ATOM 0 HD2 PHE A 53 17.161 -17.696 -3.196 1.00 0.00 H new ATOM 0 HE1 PHE A 53 19.428 -21.579 -5.189 1.00 0.00 H new ATOM 0 HE2 PHE A 53 15.836 -19.556 -4.101 1.00 0.00 H new ATOM 0 HZ PHE A 53 16.967 -21.500 -5.105 1.00 0.00 H new ATOM 789 N ILE A 54 19.806 -14.472 -2.805 1.00 0.00 N ATOM 790 CA ILE A 54 20.112 -13.228 -2.109 1.00 0.00 C ATOM 791 C ILE A 54 19.212 -13.042 -0.893 1.00 0.00 C ATOM 792 O ILE A 54 17.997 -13.225 -0.973 1.00 0.00 O ATOM 793 CB ILE A 54 19.958 -12.010 -3.040 1.00 0.00 C ATOM 794 CG1 ILE A 54 18.662 -12.119 -3.846 1.00 0.00 C ATOM 795 CG2 ILE A 54 21.158 -11.897 -3.968 1.00 0.00 C ATOM 796 CD1 ILE A 54 18.455 -10.975 -4.814 1.00 0.00 C ATOM 0 H ILE A 54 18.838 -14.780 -2.712 1.00 0.00 H new ATOM 0 HA ILE A 54 21.150 -13.296 -1.782 1.00 0.00 H new ATOM 0 HB ILE A 54 19.910 -11.108 -2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 54 18.666 -13.057 -4.401 1.00 0.00 H new ATOM 0 HG13 ILE A 54 17.818 -12.159 -3.158 1.00 0.00 H new ATOM 0 HG21 ILE A 54 21.034 -11.032 -4.619 1.00 0.00 H new ATOM 0 HG22 ILE A 54 22.066 -11.779 -3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 54 21.235 -12.799 -4.574 1.00 0.00 H new ATOM 0 HD11 ILE A 54 17.517 -11.118 -5.351 1.00 0.00 H new ATOM 0 HD12 ILE A 54 18.418 -10.035 -4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.280 -10.947 -5.526 1.00 0.00 H new ATOM 808 N ASP A 55 19.815 -12.675 0.232 1.00 0.00 N ATOM 809 CA ASP A 55 19.068 -12.461 1.466 1.00 0.00 C ATOM 810 C ASP A 55 18.157 -11.243 1.345 1.00 0.00 C ATOM 811 O ASP A 55 16.932 -11.370 1.330 1.00 0.00 O ATOM 812 CB ASP A 55 20.027 -12.281 2.644 1.00 0.00 C ATOM 813 CG ASP A 55 19.325 -11.780 3.891 1.00 0.00 C ATOM 814 OD1 ASP A 55 18.435 -12.495 4.397 1.00 0.00 O ATOM 815 OD2 ASP A 55 19.665 -10.674 4.359 1.00 0.00 O ATOM 0 H ASP A 55 20.820 -12.519 0.315 1.00 0.00 H new ATOM 0 HA ASP A 55 18.448 -13.340 1.644 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.513 -13.232 2.862 1.00 0.00 H new ATOM 0 HB3 ASP A 55 20.812 -11.578 2.365 1.00 0.00 H new ATOM 820 N PHE A 56 18.763 -10.063 1.260 1.00 0.00 N ATOM 821 CA PHE A 56 18.007 -8.822 1.143 1.00 0.00 C ATOM 822 C PHE A 56 18.898 -7.687 0.646 1.00 0.00 C ATOM 823 O PHE A 56 18.574 -7.011 -0.330 1.00 0.00 O ATOM 824 CB PHE A 56 17.389 -8.447 2.491 1.00 0.00 C ATOM 825 CG PHE A 56 16.603 -7.168 2.455 1.00 0.00 C ATOM 826 CD1 PHE A 56 15.740 -6.899 1.405 1.00 0.00 C ATOM 827 CD2 PHE A 56 16.726 -6.234 3.472 1.00 0.00 C ATOM 828 CE1 PHE A 56 15.016 -5.722 1.369 1.00 0.00 C ATOM 829 CE2 PHE A 56 16.005 -5.056 3.441 1.00 0.00 C ATOM 830 CZ PHE A 56 15.147 -4.800 2.389 1.00 0.00 C ATOM 0 H PHE A 56 19.776 -9.941 1.270 1.00 0.00 H new ATOM 0 HA PHE A 56 17.209 -8.979 0.417 1.00 0.00 H new ATOM 0 HB2 PHE A 56 16.737 -9.256 2.820 1.00 0.00 H new ATOM 0 HB3 PHE A 56 18.183 -8.356 3.233 1.00 0.00 H new ATOM 0 HD1 PHE A 56 15.632 -7.617 0.606 1.00 0.00 H new ATOM 0 HD2 PHE A 56 17.393 -6.430 4.298 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.348 -5.523 0.544 1.00 0.00 H new ATOM 0 HE2 PHE A 56 16.112 -4.336 4.239 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.580 -3.881 2.364 1.00 0.00 H new ATOM 840 N ASN A 57 20.022 -7.485 1.326 1.00 0.00 N ATOM 841 CA ASN A 57 20.960 -6.432 0.955 1.00 0.00 C ATOM 842 C ASN A 57 21.320 -6.520 -0.525 1.00 0.00 C ATOM 843 O ASN A 57 21.272 -5.524 -1.246 1.00 0.00 O ATOM 844 CB ASN A 57 22.228 -6.526 1.806 1.00 0.00 C ATOM 845 CG ASN A 57 22.880 -5.175 2.025 1.00 0.00 C ATOM 846 OD1 ASN A 57 24.039 -4.966 1.664 1.00 0.00 O ATOM 847 ND2 ASN A 57 22.137 -4.249 2.619 1.00 0.00 N ATOM 0 H ASN A 57 20.305 -8.036 2.136 1.00 0.00 H new ATOM 0 HA ASN A 57 20.479 -5.471 1.137 1.00 0.00 H new ATOM 0 HB2 ASN A 57 21.982 -6.968 2.771 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.939 -7.195 1.321 1.00 0.00 H new ATOM 0 HD21 ASN A 57 22.522 -3.321 2.793 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.181 -4.466 2.901 1.00 0.00 H new ATOM 854 N GLU A 58 21.681 -7.720 -0.970 1.00 0.00 N ATOM 855 CA GLU A 58 22.049 -7.937 -2.365 1.00 0.00 C ATOM 856 C GLU A 58 20.872 -7.642 -3.290 1.00 0.00 C ATOM 857 O GLU A 58 21.058 -7.249 -4.442 1.00 0.00 O ATOM 858 CB GLU A 58 22.526 -9.376 -2.570 1.00 0.00 C ATOM 859 CG GLU A 58 23.791 -9.714 -1.800 1.00 0.00 C ATOM 860 CD GLU A 58 23.572 -10.801 -0.766 1.00 0.00 C ATOM 861 OE1 GLU A 58 23.199 -10.467 0.377 1.00 0.00 O ATOM 862 OE2 GLU A 58 23.775 -11.987 -1.101 1.00 0.00 O ATOM 0 H GLU A 58 21.726 -8.555 -0.386 1.00 0.00 H new ATOM 0 HA GLU A 58 22.862 -7.254 -2.611 1.00 0.00 H new ATOM 0 HB2 GLU A 58 21.733 -10.059 -2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 58 22.702 -9.543 -3.633 1.00 0.00 H new ATOM 0 HG2 GLU A 58 24.563 -10.034 -2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 58 24.161 -8.816 -1.305 1.00 0.00 H new ATOM 869 N PHE A 59 19.661 -7.836 -2.779 1.00 0.00 N ATOM 870 CA PHE A 59 18.454 -7.593 -3.559 1.00 0.00 C ATOM 871 C PHE A 59 18.171 -6.098 -3.672 1.00 0.00 C ATOM 872 O PHE A 59 17.615 -5.634 -4.668 1.00 0.00 O ATOM 873 CB PHE A 59 17.257 -8.303 -2.921 1.00 0.00 C ATOM 874 CG PHE A 59 15.930 -7.796 -3.409 1.00 0.00 C ATOM 875 CD1 PHE A 59 15.424 -8.205 -4.632 1.00 0.00 C ATOM 876 CD2 PHE A 59 15.188 -6.910 -2.644 1.00 0.00 C ATOM 877 CE1 PHE A 59 14.204 -7.739 -5.083 1.00 0.00 C ATOM 878 CE2 PHE A 59 13.967 -6.442 -3.089 1.00 0.00 C ATOM 879 CZ PHE A 59 13.474 -6.858 -4.310 1.00 0.00 C ATOM 0 H PHE A 59 19.490 -8.161 -1.827 1.00 0.00 H new ATOM 0 HA PHE A 59 18.613 -7.992 -4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 59 17.327 -9.371 -3.126 1.00 0.00 H new ATOM 0 HB3 PHE A 59 17.308 -8.182 -1.839 1.00 0.00 H new ATOM 0 HD1 PHE A 59 15.989 -8.896 -5.240 1.00 0.00 H new ATOM 0 HD2 PHE A 59 15.569 -6.582 -1.688 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.822 -8.064 -6.039 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.399 -5.752 -2.483 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.519 -6.495 -4.660 1.00 0.00 H new ATOM 889 N ILE A 60 18.558 -5.349 -2.645 1.00 0.00 N ATOM 890 CA ILE A 60 18.347 -3.907 -2.629 1.00 0.00 C ATOM 891 C ILE A 60 19.479 -3.178 -3.345 1.00 0.00 C ATOM 892 O ILE A 60 19.298 -2.068 -3.845 1.00 0.00 O ATOM 893 CB ILE A 60 18.236 -3.370 -1.190 1.00 0.00 C ATOM 894 CG1 ILE A 60 17.005 -3.959 -0.497 1.00 0.00 C ATOM 895 CG2 ILE A 60 18.172 -1.850 -1.195 1.00 0.00 C ATOM 896 CD1 ILE A 60 15.696 -3.510 -1.107 1.00 0.00 C ATOM 0 H ILE A 60 19.019 -5.717 -1.813 1.00 0.00 H new ATOM 0 HA ILE A 60 17.409 -3.720 -3.152 1.00 0.00 H new ATOM 0 HB ILE A 60 19.123 -3.674 -0.634 1.00 0.00 H new ATOM 0 HG12 ILE A 60 17.061 -5.047 -0.537 1.00 0.00 H new ATOM 0 HG13 ILE A 60 17.021 -3.678 0.556 1.00 0.00 H new ATOM 0 HG21 ILE A 60 18.094 -1.486 -0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 60 19.076 -1.449 -1.655 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.301 -1.524 -1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 60 14.867 -3.966 -0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 60 15.618 -2.425 -1.043 1.00 0.00 H new ATOM 0 HD13 ILE A 60 15.658 -3.815 -2.153 1.00 0.00 H new ATOM 908 N SER A 61 20.647 -3.811 -3.393 1.00 0.00 N ATOM 909 CA SER A 61 21.810 -3.222 -4.046 1.00 0.00 C ATOM 910 C SER A 61 21.493 -2.859 -5.494 1.00 0.00 C ATOM 911 O SER A 61 21.697 -1.723 -5.920 1.00 0.00 O ATOM 912 CB SER A 61 22.993 -4.191 -3.999 1.00 0.00 C ATOM 913 OG SER A 61 23.358 -4.485 -2.661 1.00 0.00 O ATOM 0 H SER A 61 20.813 -4.732 -2.987 1.00 0.00 H new ATOM 0 HA SER A 61 22.075 -2.311 -3.510 1.00 0.00 H new ATOM 0 HB2 SER A 61 22.733 -5.113 -4.519 1.00 0.00 H new ATOM 0 HB3 SER A 61 23.844 -3.757 -4.525 1.00 0.00 H new ATOM 0 HG SER A 61 24.228 -4.936 -2.651 1.00 0.00 H new ATOM 919 N PHE A 62 20.993 -3.834 -6.246 1.00 0.00 N ATOM 920 CA PHE A 62 20.649 -3.619 -7.647 1.00 0.00 C ATOM 921 C PHE A 62 19.302 -2.913 -7.773 1.00 0.00 C ATOM 922 O PHE A 62 18.981 -2.349 -8.820 1.00 0.00 O ATOM 923 CB PHE A 62 20.609 -4.954 -8.395 1.00 0.00 C ATOM 924 CG PHE A 62 19.286 -5.237 -9.046 1.00 0.00 C ATOM 925 CD1 PHE A 62 18.230 -5.746 -8.308 1.00 0.00 C ATOM 926 CD2 PHE A 62 19.098 -4.993 -10.398 1.00 0.00 C ATOM 927 CE1 PHE A 62 17.011 -6.008 -8.905 1.00 0.00 C ATOM 928 CE2 PHE A 62 17.881 -5.252 -10.999 1.00 0.00 C ATOM 929 CZ PHE A 62 16.837 -5.761 -10.252 1.00 0.00 C ATOM 0 H PHE A 62 20.817 -4.780 -5.909 1.00 0.00 H new ATOM 0 HA PHE A 62 21.416 -2.984 -8.091 1.00 0.00 H new ATOM 0 HB2 PHE A 62 21.388 -4.958 -9.157 1.00 0.00 H new ATOM 0 HB3 PHE A 62 20.841 -5.759 -7.698 1.00 0.00 H new ATOM 0 HD1 PHE A 62 18.361 -5.940 -7.254 1.00 0.00 H new ATOM 0 HD2 PHE A 62 19.911 -4.596 -10.988 1.00 0.00 H new ATOM 0 HE1 PHE A 62 16.196 -6.405 -8.318 1.00 0.00 H new ATOM 0 HE2 PHE A 62 17.746 -5.056 -12.053 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.886 -5.966 -10.721 1.00 0.00 H new ATOM 939 N CYS A 63 18.519 -2.948 -6.701 1.00 0.00 N ATOM 940 CA CYS A 63 17.206 -2.312 -6.691 1.00 0.00 C ATOM 941 C CYS A 63 17.291 -0.898 -6.126 1.00 0.00 C ATOM 942 O CYS A 63 17.176 -0.694 -4.919 1.00 0.00 O ATOM 943 CB CYS A 63 16.220 -3.144 -5.871 1.00 0.00 C ATOM 944 SG CYS A 63 14.670 -2.292 -5.493 1.00 0.00 S ATOM 0 H CYS A 63 18.770 -3.410 -5.827 1.00 0.00 H new ATOM 0 HA CYS A 63 16.851 -2.251 -7.720 1.00 0.00 H new ATOM 0 HB2 CYS A 63 15.995 -4.061 -6.415 1.00 0.00 H new ATOM 0 HB3 CYS A 63 16.698 -3.437 -4.936 1.00 0.00 H new ATOM 0 HG CYS A 63 14.513 -1.293 -6.310 1.00 0.00 H new ATOM 950 N ASN A 64 17.495 0.075 -7.008 1.00 0.00 N ATOM 951 CA ASN A 64 17.598 1.470 -6.597 1.00 0.00 C ATOM 952 C ASN A 64 16.334 2.241 -6.968 1.00 0.00 C ATOM 953 O ASN A 64 16.128 3.367 -6.517 1.00 0.00 O ATOM 954 CB ASN A 64 18.818 2.126 -7.246 1.00 0.00 C ATOM 955 CG ASN A 64 19.999 1.180 -7.345 1.00 0.00 C ATOM 956 OD1 ASN A 64 20.620 0.837 -6.339 1.00 0.00 O ATOM 957 ND2 ASN A 64 20.315 0.754 -8.563 1.00 0.00 N ATOM 0 H ASN A 64 17.592 -0.077 -8.012 1.00 0.00 H new ATOM 0 HA ASN A 64 17.714 1.496 -5.513 1.00 0.00 H new ATOM 0 HB2 ASN A 64 18.552 2.476 -8.243 1.00 0.00 H new ATOM 0 HB3 ASN A 64 19.106 3.003 -6.667 1.00 0.00 H new ATOM 0 HD21 ASN A 64 21.101 0.116 -8.692 1.00 0.00 H new ATOM 0 HD22 ASN A 64 19.772 1.065 -9.369 1.00 0.00 H new ATOM 964 N ALA A 65 15.492 1.625 -7.791 1.00 0.00 N ATOM 965 CA ALA A 65 14.248 2.251 -8.220 1.00 0.00 C ATOM 966 C ALA A 65 14.463 3.723 -8.559 1.00 0.00 C ATOM 967 O ALA A 65 13.740 4.593 -8.076 1.00 0.00 O ATOM 968 CB ALA A 65 13.185 2.106 -7.142 1.00 0.00 C ATOM 0 H ALA A 65 15.649 0.693 -8.174 1.00 0.00 H new ATOM 0 HA ALA A 65 13.907 1.743 -9.122 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.261 2.578 -7.476 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.003 1.049 -6.950 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.528 2.587 -6.226 1.00 0.00 H new ATOM 974 N ASN A 66 15.462 3.993 -9.393 1.00 0.00 N ATOM 975 CA ASN A 66 15.772 5.360 -9.796 1.00 0.00 C ATOM 976 C ASN A 66 14.956 5.766 -11.019 1.00 0.00 C ATOM 977 O ASN A 66 14.084 6.633 -10.955 1.00 0.00 O ATOM 978 CB ASN A 66 17.266 5.498 -10.097 1.00 0.00 C ATOM 979 CG ASN A 66 18.012 6.232 -8.999 1.00 0.00 C ATOM 980 OD1 ASN A 66 18.277 7.429 -9.107 1.00 0.00 O ATOM 981 ND2 ASN A 66 18.354 5.515 -7.935 1.00 0.00 N ATOM 0 H ASN A 66 16.070 3.284 -9.803 1.00 0.00 H new ATOM 0 HA ASN A 66 15.511 6.023 -8.971 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.700 4.507 -10.228 1.00 0.00 H new ATOM 0 HB3 ASN A 66 17.396 6.030 -11.039 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.857 5.954 -7.164 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.113 4.525 -7.888 1.00 0.00 H new ATOM 988 N PRO A 67 15.242 5.123 -12.161 1.00 0.00 N ATOM 989 CA PRO A 67 14.545 5.399 -13.421 1.00 0.00 C ATOM 990 C PRO A 67 13.098 4.919 -13.400 1.00 0.00 C ATOM 991 O PRO A 67 12.212 5.564 -13.958 1.00 0.00 O ATOM 992 CB PRO A 67 15.355 4.612 -14.454 1.00 0.00 C ATOM 993 CG PRO A 67 15.994 3.513 -13.677 1.00 0.00 C ATOM 994 CD PRO A 67 16.269 4.078 -12.311 1.00 0.00 C ATOM 0 HA PRO A 67 14.487 6.467 -13.629 1.00 0.00 H new ATOM 0 HB2 PRO A 67 14.714 4.218 -15.243 1.00 0.00 H new ATOM 0 HB3 PRO A 67 16.102 5.243 -14.935 1.00 0.00 H new ATOM 0 HG2 PRO A 67 15.337 2.645 -13.616 1.00 0.00 H new ATOM 0 HG3 PRO A 67 16.916 3.182 -14.155 1.00 0.00 H new ATOM 0 HD2 PRO A 67 16.183 3.316 -11.536 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.275 4.491 -12.242 1.00 0.00 H new ATOM 1002 N GLY A 68 12.866 3.782 -12.750 1.00 0.00 N ATOM 1003 CA GLY A 68 11.524 3.236 -12.669 1.00 0.00 C ATOM 1004 C GLY A 68 11.477 1.759 -13.008 1.00 0.00 C ATOM 1005 O GLY A 68 10.502 1.278 -13.586 1.00 0.00 O ATOM 0 H GLY A 68 13.583 3.230 -12.279 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.134 3.387 -11.663 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.871 3.783 -13.349 1.00 0.00 H new ATOM 1009 N LEU A 69 12.534 1.038 -12.650 1.00 0.00 N ATOM 1010 CA LEU A 69 12.611 -0.393 -12.922 1.00 0.00 C ATOM 1011 C LEU A 69 11.937 -1.195 -11.813 1.00 0.00 C ATOM 1012 O LEU A 69 11.354 -2.250 -12.063 1.00 0.00 O ATOM 1013 CB LEU A 69 14.071 -0.827 -13.065 1.00 0.00 C ATOM 1014 CG LEU A 69 14.972 -0.560 -11.859 1.00 0.00 C ATOM 1015 CD1 LEU A 69 15.829 -1.778 -11.552 1.00 0.00 C ATOM 1016 CD2 LEU A 69 15.846 0.661 -12.106 1.00 0.00 C ATOM 0 H LEU A 69 13.349 1.421 -12.171 1.00 0.00 H new ATOM 0 HA LEU A 69 12.087 -0.589 -13.857 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.092 -1.895 -13.279 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.497 -0.320 -13.931 1.00 0.00 H new ATOM 0 HG LEU A 69 14.339 -0.360 -10.994 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.463 -1.569 -10.691 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.185 -2.629 -11.330 1.00 0.00 H new ATOM 0 HD13 LEU A 69 16.453 -2.010 -12.415 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.481 0.836 -11.237 1.00 0.00 H new ATOM 0 HD22 LEU A 69 16.470 0.490 -12.983 1.00 0.00 H new ATOM 0 HD23 LEU A 69 15.214 1.533 -12.275 1.00 0.00 H new ATOM 1028 N MET A 70 12.018 -0.685 -10.588 1.00 0.00 N ATOM 1029 CA MET A 70 11.412 -1.353 -9.442 1.00 0.00 C ATOM 1030 C MET A 70 10.300 -0.499 -8.841 1.00 0.00 C ATOM 1031 O MET A 70 9.421 -1.007 -8.144 1.00 0.00 O ATOM 1032 CB MET A 70 12.472 -1.652 -8.380 1.00 0.00 C ATOM 1033 CG MET A 70 13.716 -2.326 -8.936 1.00 0.00 C ATOM 1034 SD MET A 70 13.493 -4.099 -9.183 1.00 0.00 S ATOM 1035 CE MET A 70 13.337 -4.659 -7.489 1.00 0.00 C ATOM 0 H MET A 70 12.497 0.187 -10.364 1.00 0.00 H new ATOM 0 HA MET A 70 10.979 -2.292 -9.787 1.00 0.00 H new ATOM 0 HB2 MET A 70 12.760 -0.720 -7.894 1.00 0.00 H new ATOM 0 HB3 MET A 70 12.035 -2.290 -7.612 1.00 0.00 H new ATOM 0 HG2 MET A 70 13.983 -1.861 -9.885 1.00 0.00 H new ATOM 0 HG3 MET A 70 14.550 -2.160 -8.254 1.00 0.00 H new ATOM 0 HE1 MET A 70 12.805 -5.610 -7.468 1.00 0.00 H new ATOM 0 HE2 MET A 70 14.329 -4.789 -7.056 1.00 0.00 H new ATOM 0 HE3 MET A 70 12.783 -3.920 -6.911 1.00 0.00 H new ATOM 1045 N LYS A 71 10.345 0.801 -9.114 1.00 0.00 N ATOM 1046 CA LYS A 71 9.341 1.726 -8.602 1.00 0.00 C ATOM 1047 C LYS A 71 8.013 1.545 -9.330 1.00 0.00 C ATOM 1048 O LYS A 71 6.957 1.912 -8.814 1.00 0.00 O ATOM 1049 CB LYS A 71 9.824 3.170 -8.752 1.00 0.00 C ATOM 1050 CG LYS A 71 8.922 4.187 -8.075 1.00 0.00 C ATOM 1051 CD LYS A 71 9.476 5.596 -8.203 1.00 0.00 C ATOM 1052 CE LYS A 71 8.978 6.495 -7.082 1.00 0.00 C ATOM 1053 NZ LYS A 71 9.835 7.702 -6.916 1.00 0.00 N ATOM 0 H LYS A 71 11.067 1.238 -9.687 1.00 0.00 H new ATOM 0 HA LYS A 71 9.189 1.508 -7.545 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.828 3.253 -8.336 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.898 3.411 -9.812 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.927 4.145 -8.518 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.812 3.933 -7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.565 5.563 -8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.184 6.017 -9.165 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.954 6.803 -7.292 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.957 5.933 -6.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.462 8.289 -6.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.807 7.409 -6.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.835 8.252 -7.799 1.00 0.00 H new ATOM 1067 N ASP A 72 8.073 0.976 -10.529 1.00 0.00 N ATOM 1068 CA ASP A 72 6.874 0.745 -11.326 1.00 0.00 C ATOM 1069 C ASP A 72 6.817 -0.700 -11.814 1.00 0.00 C ATOM 1070 O ASP A 72 6.517 -0.961 -12.979 1.00 0.00 O ATOM 1071 CB ASP A 72 6.837 1.701 -12.519 1.00 0.00 C ATOM 1072 CG ASP A 72 6.544 3.130 -12.107 1.00 0.00 C ATOM 1073 OD1 ASP A 72 6.073 3.335 -10.968 1.00 0.00 O ATOM 1074 OD2 ASP A 72 6.786 4.044 -12.923 1.00 0.00 O ATOM 0 H ASP A 72 8.939 0.666 -10.970 1.00 0.00 H new ATOM 0 HA ASP A 72 6.005 0.931 -10.694 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.794 1.665 -13.039 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.077 1.367 -13.225 1.00 0.00 H new ATOM 1079 N VAL A 73 7.107 -1.635 -10.914 1.00 0.00 N ATOM 1080 CA VAL A 73 7.088 -3.053 -11.253 1.00 0.00 C ATOM 1081 C VAL A 73 6.330 -3.858 -10.204 1.00 0.00 C ATOM 1082 O VAL A 73 5.739 -4.894 -10.509 1.00 0.00 O ATOM 1083 CB VAL A 73 8.515 -3.617 -11.384 1.00 0.00 C ATOM 1084 CG1 VAL A 73 8.906 -4.379 -10.127 1.00 0.00 C ATOM 1085 CG2 VAL A 73 8.625 -4.507 -12.613 1.00 0.00 C ATOM 0 H VAL A 73 7.358 -1.436 -9.946 1.00 0.00 H new ATOM 0 HA VAL A 73 6.580 -3.143 -12.213 1.00 0.00 H new ATOM 0 HB VAL A 73 9.207 -2.783 -11.504 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.917 -4.770 -10.238 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.869 -3.708 -9.269 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.212 -5.206 -9.972 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.640 -4.897 -12.690 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.923 -5.336 -12.526 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.391 -3.926 -13.505 1.00 0.00 H new ATOM 1095 N ALA A 74 6.349 -3.374 -8.966 1.00 0.00 N ATOM 1096 CA ALA A 74 5.661 -4.047 -7.872 1.00 0.00 C ATOM 1097 C ALA A 74 4.177 -3.696 -7.858 1.00 0.00 C ATOM 1098 O ALA A 74 3.411 -4.225 -7.052 1.00 0.00 O ATOM 1099 CB ALA A 74 6.304 -3.685 -6.541 1.00 0.00 C ATOM 0 H ALA A 74 6.834 -2.518 -8.696 1.00 0.00 H new ATOM 0 HA ALA A 74 5.752 -5.122 -8.026 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.780 -4.195 -5.733 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.350 -3.993 -6.546 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.244 -2.607 -6.389 1.00 0.00 H new ATOM 1105 N LYS A 75 3.777 -2.801 -8.754 1.00 0.00 N ATOM 1106 CA LYS A 75 2.385 -2.379 -8.846 1.00 0.00 C ATOM 1107 C LYS A 75 1.802 -2.720 -10.214 1.00 0.00 C ATOM 1108 O LYS A 75 0.588 -2.673 -10.412 1.00 0.00 O ATOM 1109 CB LYS A 75 2.269 -0.875 -8.592 1.00 0.00 C ATOM 1110 CG LYS A 75 3.455 -0.077 -9.106 1.00 0.00 C ATOM 1111 CD LYS A 75 4.492 0.144 -8.018 1.00 0.00 C ATOM 1112 CE LYS A 75 4.214 1.417 -7.233 1.00 0.00 C ATOM 1113 NZ LYS A 75 5.412 1.875 -6.476 1.00 0.00 N ATOM 0 H LYS A 75 4.398 -2.353 -9.428 1.00 0.00 H new ATOM 0 HA LYS A 75 1.818 -2.915 -8.085 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.360 -0.504 -9.066 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.163 -0.703 -7.521 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.912 -0.602 -9.944 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.111 0.886 -9.483 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.497 -0.709 -7.340 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.484 0.201 -8.466 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.894 2.203 -7.917 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.391 1.244 -6.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.286 2.868 -6.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.531 1.287 -5.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.256 1.790 -7.077 1.00 0.00 H new ATOM 1127 N VAL A 76 2.675 -3.065 -11.155 1.00 0.00 N ATOM 1128 CA VAL A 76 2.247 -3.417 -12.504 1.00 0.00 C ATOM 1129 C VAL A 76 1.136 -4.461 -12.473 1.00 0.00 C ATOM 1130 O VAL A 76 -0.023 -4.158 -12.759 1.00 0.00 O ATOM 1131 CB VAL A 76 3.420 -3.958 -13.342 1.00 0.00 C ATOM 1132 CG1 VAL A 76 2.914 -4.559 -14.644 1.00 0.00 C ATOM 1133 CG2 VAL A 76 4.433 -2.855 -13.613 1.00 0.00 C ATOM 0 H VAL A 76 3.683 -3.108 -11.008 1.00 0.00 H new ATOM 0 HA VAL A 76 1.871 -2.504 -12.965 1.00 0.00 H new ATOM 0 HB VAL A 76 3.916 -4.746 -12.775 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.757 -4.936 -15.223 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.229 -5.378 -14.425 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.392 -3.794 -15.219 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.256 -3.254 -14.206 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.951 -2.045 -14.160 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.819 -2.475 -12.667 1.00 0.00 H new ATOM 1143 N PHE A 77 1.497 -5.691 -12.123 1.00 0.00 N ATOM 1144 CA PHE A 77 0.530 -6.781 -12.054 1.00 0.00 C ATOM 1145 C PHE A 77 -0.643 -6.412 -11.151 1.00 0.00 C ATOM 1146 O PHE A 77 -1.758 -6.896 -11.337 1.00 0.00 O ATOM 1147 CB PHE A 77 1.203 -8.056 -11.541 1.00 0.00 C ATOM 1148 CG PHE A 77 1.646 -7.965 -10.109 1.00 0.00 C ATOM 1149 CD1 PHE A 77 0.777 -8.289 -9.079 1.00 0.00 C ATOM 1150 CD2 PHE A 77 2.931 -7.555 -9.792 1.00 0.00 C ATOM 1151 CE1 PHE A 77 1.182 -8.207 -7.760 1.00 0.00 C ATOM 1152 CE2 PHE A 77 3.341 -7.471 -8.475 1.00 0.00 C ATOM 1153 CZ PHE A 77 2.466 -7.796 -7.458 1.00 0.00 C ATOM 0 H PHE A 77 2.452 -5.958 -11.883 1.00 0.00 H new ATOM 0 HA PHE A 77 0.149 -6.959 -13.059 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.510 -8.891 -11.646 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.067 -8.278 -12.167 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.228 -8.609 -9.310 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.620 -7.298 -10.583 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.496 -8.464 -6.967 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.346 -7.151 -8.241 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.785 -7.729 -6.428 1.00 0.00 H new