USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 839 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 84 SER OG : rot -129:sc= -1.43 USER MOD Set 1.2: A 110 ASN : amide:sc= -3.49 K(o=-4.9,f=-2.3) USER MOD Set 2.1: A 74 MET CE :methyl 177:sc= -1.31 (180deg=-1.37) USER MOD Set 2.2: A 76 THR OG1 : rot 52:sc= -0.875! USER MOD Single : A 44 HIS : no HE2:sc= -23.5! C(o=-24!,f=-30!) USER MOD Single : A 45 THR OG1 : rot -87:sc= 0.764 USER MOD Single : A 46 SER OG : rot 34:sc= 0.893 USER MOD Single : A 48 GLN : amide:sc= -1.16 X(o=-1.2,f=-0.94) USER MOD Single : A 50 HIS : no HE2:sc= -3.62! C(o=-3.6!,f=-7.6!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.992 K(o=-0.99,f=-2.7!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 139:sc= -0.953 (180deg=-1.55) USER MOD Single : A 82 LYS NZ :NH3+ -119:sc= -4.2! (180deg=-5.9!) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0269 USER MOD Single : A 89 GLN : amide:sc= -0.301 K(o=-0.3,f=-2!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 80:sc= -3.42 USER MOD Single : A 112 GLN : amide:sc= -2.92! K(o=-2.9!,f=-1.3) USER MOD Single : A 114 LYS NZ :NH3+ -166:sc= -0.0175 (180deg=-0.243) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 SER OG : rot -108:sc= 1.39 USER MOD Single : A 139 HIS : no HE2:sc= -3.06! K(o=-3.1!,f=-2.5) USER MOD Single : A 140 CYS SG : rot 36:sc= -1.69 USER MOD Single : A 141 THR OG1 : rot 180:sc= -0.02 USER MOD Single : A 147 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 40 4.433 8.658 7.422 1.00 0.00 N ATOM 2 CA PHE A 40 3.446 7.801 6.750 1.00 0.00 C ATOM 3 C PHE A 40 2.213 8.527 6.384 1.00 0.00 C ATOM 4 O PHE A 40 1.191 8.647 7.030 1.00 0.00 O ATOM 5 CB PHE A 40 3.201 6.719 7.623 1.00 0.00 C ATOM 6 CG PHE A 40 3.345 5.566 6.682 1.00 0.00 C ATOM 7 CD1 PHE A 40 2.318 5.119 5.877 1.00 0.00 C ATOM 8 CD2 PHE A 40 4.604 4.987 6.646 1.00 0.00 C ATOM 9 CE1 PHE A 40 2.574 4.082 5.041 1.00 0.00 C ATOM 10 CE2 PHE A 40 4.873 3.934 5.804 1.00 0.00 C ATOM 11 CZ PHE A 40 3.829 3.486 4.995 1.00 0.00 C ATOM 0 HA PHE A 40 3.834 7.446 5.796 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.919 6.677 8.442 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.209 6.766 8.072 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.342 5.580 5.911 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.384 5.368 7.288 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.788 3.712 4.399 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.850 3.474 5.771 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.999 2.660 4.320 1.00 0.00 H new ATOM 21 N ARG A 41 2.496 8.998 5.225 1.00 0.00 N ATOM 22 CA ARG A 41 1.579 9.785 4.449 1.00 0.00 C ATOM 23 C ARG A 41 0.798 8.884 3.634 1.00 0.00 C ATOM 24 O ARG A 41 0.473 7.782 4.030 1.00 0.00 O ATOM 25 CB ARG A 41 2.473 10.815 3.691 1.00 0.00 C ATOM 26 CG ARG A 41 2.081 12.246 4.104 1.00 0.00 C ATOM 27 CD ARG A 41 2.109 12.384 5.636 1.00 0.00 C ATOM 28 NE ARG A 41 1.794 13.799 5.966 1.00 0.00 N ATOM 29 CZ ARG A 41 0.647 14.080 6.525 1.00 0.00 C ATOM 30 NH1 ARG A 41 -0.448 13.796 5.873 1.00 0.00 N ATOM 31 NH2 ARG A 41 0.623 14.629 7.708 1.00 0.00 N ATOM 0 H ARG A 41 3.395 8.848 4.767 1.00 0.00 H new ATOM 0 HA ARG A 41 0.837 10.351 5.013 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.524 10.636 3.918 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.354 10.691 2.615 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.768 12.963 3.654 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.085 12.481 3.729 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.382 11.713 6.094 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.088 12.108 6.027 1.00 0.00 H new ATOM 0 HE ARG A 41 2.464 14.540 5.759 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.395 13.365 4.950 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.357 14.005 6.287 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.497 14.837 8.192 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.269 14.851 8.149 1.00 0.00 H new ATOM 45 N ARG A 42 0.467 9.433 2.536 1.00 0.00 N ATOM 46 CA ARG A 42 -0.317 8.667 1.587 1.00 0.00 C ATOM 47 C ARG A 42 0.065 9.180 0.249 1.00 0.00 C ATOM 48 O ARG A 42 0.684 10.222 0.140 1.00 0.00 O ATOM 49 CB ARG A 42 -1.673 8.934 1.919 1.00 0.00 C ATOM 50 CG ARG A 42 -1.910 10.412 1.565 1.00 0.00 C ATOM 51 CD ARG A 42 -3.027 11.038 2.422 1.00 0.00 C ATOM 52 NE ARG A 42 -2.364 11.961 3.379 1.00 0.00 N ATOM 53 CZ ARG A 42 -2.529 11.790 4.659 1.00 0.00 C ATOM 54 NH1 ARG A 42 -3.600 12.276 5.227 1.00 0.00 N ATOM 55 NH2 ARG A 42 -1.615 11.140 5.324 1.00 0.00 N ATOM 0 H ARG A 42 0.706 10.383 2.252 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.159 7.589 1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.347 8.285 1.360 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.859 8.751 2.977 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.986 10.972 1.708 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.172 10.495 0.510 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.740 11.576 1.796 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.586 10.267 2.952 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.782 12.725 3.035 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.290 12.779 4.669 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.747 12.152 6.229 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.793 10.778 4.840 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.722 10.993 6.328 1.00 0.00 H new ATOM 69 N ASP A 43 -0.325 8.413 -0.722 1.00 0.00 N ATOM 70 CA ASP A 43 0.005 8.812 -2.125 1.00 0.00 C ATOM 71 C ASP A 43 1.510 8.943 -2.046 1.00 0.00 C ATOM 72 O ASP A 43 2.177 9.781 -2.617 1.00 0.00 O ATOM 73 CB ASP A 43 -0.642 10.153 -2.479 1.00 0.00 C ATOM 74 CG ASP A 43 -2.150 9.951 -2.435 1.00 0.00 C ATOM 75 OD1 ASP A 43 -2.524 8.790 -2.379 1.00 0.00 O ATOM 76 OD2 ASP A 43 -2.838 10.957 -2.466 1.00 0.00 O ATOM 0 H ASP A 43 -0.848 7.543 -0.618 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.347 8.115 -2.885 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.337 10.926 -1.773 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.327 10.483 -3.469 1.00 0.00 H new ATOM 81 N HIS A 44 1.918 7.996 -1.259 1.00 0.00 N ATOM 82 CA HIS A 44 3.309 7.715 -0.878 1.00 0.00 C ATOM 83 C HIS A 44 4.213 7.324 -2.008 1.00 0.00 C ATOM 84 O HIS A 44 3.764 7.371 -3.136 1.00 0.00 O ATOM 85 CB HIS A 44 3.092 6.779 0.137 1.00 0.00 C ATOM 86 CG HIS A 44 3.522 7.102 1.472 1.00 0.00 C ATOM 87 ND1 HIS A 44 4.736 7.332 1.790 1.00 0.00 N ATOM 88 CD2 HIS A 44 2.785 7.145 2.593 1.00 0.00 C ATOM 89 CE1 HIS A 44 4.787 7.500 3.047 1.00 0.00 C ATOM 90 NE2 HIS A 44 3.595 7.398 3.599 1.00 0.00 N ATOM 0 H HIS A 44 1.263 7.345 -0.826 1.00 0.00 H new ATOM 0 HA HIS A 44 3.889 8.575 -0.544 1.00 0.00 H new ATOM 0 HB2 HIS A 44 2.022 6.572 0.174 1.00 0.00 H new ATOM 0 HB3 HIS A 44 3.586 5.852 -0.155 1.00 0.00 H new ATOM 0 HD1 HIS A 44 5.527 7.374 1.147 1.00 0.00 H new ATOM 0 HD2 HIS A 44 1.717 6.998 2.658 1.00 0.00 H new ATOM 0 HE1 HIS A 44 5.695 7.702 3.596 1.00 0.00 H new ATOM 98 N THR A 45 5.410 6.966 -1.616 1.00 0.00 N ATOM 99 CA THR A 45 6.590 6.534 -2.438 1.00 0.00 C ATOM 100 C THR A 45 7.735 7.468 -2.185 1.00 0.00 C ATOM 101 O THR A 45 7.650 8.390 -1.398 1.00 0.00 O ATOM 102 CB THR A 45 6.361 6.558 -3.935 1.00 0.00 C ATOM 103 OG1 THR A 45 5.770 7.773 -4.364 1.00 0.00 O ATOM 104 CG2 THR A 45 5.517 5.369 -4.125 1.00 0.00 C ATOM 0 H THR A 45 5.639 6.957 -0.622 1.00 0.00 H new ATOM 0 HA THR A 45 6.782 5.505 -2.136 1.00 0.00 H new ATOM 0 HB THR A 45 7.269 6.523 -4.537 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.795 7.703 -4.298 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.271 5.263 -5.182 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.055 4.483 -3.787 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.599 5.479 -3.548 1.00 0.00 H new ATOM 112 N SER A 46 8.786 7.176 -2.883 1.00 0.00 N ATOM 113 CA SER A 46 10.008 7.994 -2.742 1.00 0.00 C ATOM 114 C SER A 46 10.932 8.025 -3.951 1.00 0.00 C ATOM 115 O SER A 46 12.024 7.519 -3.860 1.00 0.00 O ATOM 116 CB SER A 46 10.731 7.463 -1.547 1.00 0.00 C ATOM 117 OG SER A 46 10.260 8.241 -0.461 1.00 0.00 O ATOM 0 H SER A 46 8.851 6.404 -3.547 1.00 0.00 H new ATOM 0 HA SER A 46 9.699 9.034 -2.637 1.00 0.00 H new ATOM 0 HB2 SER A 46 10.520 6.404 -1.396 1.00 0.00 H new ATOM 0 HB3 SER A 46 11.810 7.559 -1.663 1.00 0.00 H new ATOM 0 HG SER A 46 9.318 8.470 -0.607 1.00 0.00 H new ATOM 123 N ASP A 47 10.492 8.587 -5.038 1.00 0.00 N ATOM 124 CA ASP A 47 11.333 8.681 -6.284 1.00 0.00 C ATOM 125 C ASP A 47 12.878 8.474 -6.181 1.00 0.00 C ATOM 126 O ASP A 47 13.477 7.837 -7.024 1.00 0.00 O ATOM 127 CB ASP A 47 11.037 10.052 -6.901 1.00 0.00 C ATOM 128 CG ASP A 47 12.114 10.448 -7.921 1.00 0.00 C ATOM 129 OD1 ASP A 47 13.118 10.993 -7.487 1.00 0.00 O ATOM 130 OD2 ASP A 47 11.867 10.177 -9.084 1.00 0.00 O ATOM 0 H ASP A 47 9.563 8.998 -5.128 1.00 0.00 H new ATOM 0 HA ASP A 47 11.041 7.821 -6.887 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.062 10.031 -7.388 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.984 10.804 -6.114 1.00 0.00 H new ATOM 135 N GLN A 48 13.490 9.016 -5.160 1.00 0.00 N ATOM 136 CA GLN A 48 14.918 8.928 -4.912 1.00 0.00 C ATOM 137 C GLN A 48 15.347 7.487 -4.689 1.00 0.00 C ATOM 138 O GLN A 48 16.300 6.988 -5.250 1.00 0.00 O ATOM 139 CB GLN A 48 15.077 9.885 -3.734 1.00 0.00 C ATOM 140 CG GLN A 48 16.020 9.399 -2.696 1.00 0.00 C ATOM 141 CD GLN A 48 17.424 9.135 -3.241 1.00 0.00 C ATOM 142 OE1 GLN A 48 18.058 9.999 -3.811 1.00 0.00 O ATOM 143 NE2 GLN A 48 17.939 7.944 -3.078 1.00 0.00 N ATOM 0 H GLN A 48 12.995 9.552 -4.448 1.00 0.00 H new ATOM 0 HA GLN A 48 15.574 9.214 -5.734 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.424 10.850 -4.105 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.101 10.051 -3.277 1.00 0.00 H new ATOM 0 HG2 GLN A 48 16.080 10.135 -1.894 1.00 0.00 H new ATOM 0 HG3 GLN A 48 15.628 8.481 -2.258 1.00 0.00 H new ATOM 0 HE21 GLN A 48 17.405 7.219 -2.599 1.00 0.00 H new ATOM 0 HE22 GLN A 48 18.874 7.740 -3.430 1.00 0.00 H new ATOM 152 N LEU A 49 14.624 6.827 -3.854 1.00 0.00 N ATOM 153 CA LEU A 49 15.008 5.418 -3.619 1.00 0.00 C ATOM 154 C LEU A 49 14.366 4.679 -4.717 1.00 0.00 C ATOM 155 O LEU A 49 14.813 3.622 -5.035 1.00 0.00 O ATOM 156 CB LEU A 49 14.495 4.795 -2.418 1.00 0.00 C ATOM 157 CG LEU A 49 13.010 4.757 -2.494 1.00 0.00 C ATOM 158 CD1 LEU A 49 12.385 3.399 -2.799 1.00 0.00 C ATOM 159 CD2 LEU A 49 12.812 5.064 -1.165 1.00 0.00 C ATOM 0 H LEU A 49 13.816 7.177 -3.340 1.00 0.00 H new ATOM 0 HA LEU A 49 16.095 5.398 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 49 14.894 3.786 -2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.814 5.353 -1.538 1.00 0.00 H new ATOM 0 HG LEU A 49 12.580 5.377 -3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 49 11.300 3.496 -2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.744 3.042 -3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.664 2.687 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.743 5.098 -0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.280 4.302 -0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.256 6.035 -0.946 1.00 0.00 H new ATOM 171 N HIS A 50 13.295 5.148 -5.269 1.00 0.00 N ATOM 172 CA HIS A 50 12.750 4.341 -6.378 1.00 0.00 C ATOM 173 C HIS A 50 13.967 4.105 -7.263 1.00 0.00 C ATOM 174 O HIS A 50 14.133 3.060 -7.857 1.00 0.00 O ATOM 175 CB HIS A 50 11.697 5.123 -7.112 1.00 0.00 C ATOM 176 CG HIS A 50 10.398 4.974 -6.401 1.00 0.00 C ATOM 177 ND1 HIS A 50 9.263 4.643 -6.911 1.00 0.00 N ATOM 178 CD2 HIS A 50 10.166 5.144 -5.087 1.00 0.00 C ATOM 179 CE1 HIS A 50 8.378 4.606 -5.969 1.00 0.00 C ATOM 180 NE2 HIS A 50 8.904 4.914 -4.804 1.00 0.00 N ATOM 0 H HIS A 50 12.797 6.003 -5.021 1.00 0.00 H new ATOM 0 HA HIS A 50 12.275 3.415 -6.055 1.00 0.00 H new ATOM 0 HB2 HIS A 50 11.978 6.175 -7.166 1.00 0.00 H new ATOM 0 HB3 HIS A 50 11.608 4.764 -8.137 1.00 0.00 H new ATOM 0 HD1 HIS A 50 9.090 4.443 -7.896 1.00 0.00 H new ATOM 0 HD2 HIS A 50 10.915 5.430 -4.364 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.339 4.354 -6.120 1.00 0.00 H new ATOM 188 N ALA A 51 14.800 5.114 -7.314 1.00 0.00 N ATOM 189 CA ALA A 51 16.001 4.986 -8.111 1.00 0.00 C ATOM 190 C ALA A 51 16.866 3.968 -7.337 1.00 0.00 C ATOM 191 O ALA A 51 17.502 3.125 -7.940 1.00 0.00 O ATOM 192 CB ALA A 51 16.690 6.311 -8.192 1.00 0.00 C ATOM 0 H ALA A 51 14.680 6.005 -6.833 1.00 0.00 H new ATOM 0 HA ALA A 51 15.805 4.663 -9.134 1.00 0.00 H new ATOM 0 HB1 ALA A 51 17.595 6.215 -8.792 1.00 0.00 H new ATOM 0 HB2 ALA A 51 16.024 7.040 -8.654 1.00 0.00 H new ATOM 0 HB3 ALA A 51 16.954 6.646 -7.189 1.00 0.00 H new ATOM 198 N GLU A 52 16.890 4.048 -6.021 1.00 0.00 N ATOM 199 CA GLU A 52 17.713 3.070 -5.278 1.00 0.00 C ATOM 200 C GLU A 52 17.215 1.607 -5.328 1.00 0.00 C ATOM 201 O GLU A 52 17.940 0.750 -5.782 1.00 0.00 O ATOM 202 CB GLU A 52 17.788 3.460 -3.824 1.00 0.00 C ATOM 203 CG GLU A 52 18.761 2.519 -3.096 1.00 0.00 C ATOM 204 CD GLU A 52 20.115 2.532 -3.822 1.00 0.00 C ATOM 205 OE1 GLU A 52 20.690 3.606 -3.876 1.00 0.00 O ATOM 206 OE2 GLU A 52 20.492 1.466 -4.280 1.00 0.00 O ATOM 0 H GLU A 52 16.387 4.732 -5.456 1.00 0.00 H new ATOM 0 HA GLU A 52 18.680 3.100 -5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.123 4.493 -3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 52 16.799 3.403 -3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 52 18.887 2.837 -2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 52 18.357 1.507 -3.072 1.00 0.00 H new ATOM 213 N PHE A 53 16.009 1.390 -4.843 1.00 0.00 N ATOM 214 CA PHE A 53 15.328 0.072 -4.790 1.00 0.00 C ATOM 215 C PHE A 53 15.671 -0.642 -6.051 1.00 0.00 C ATOM 216 O PHE A 53 16.156 -1.758 -6.065 1.00 0.00 O ATOM 217 CB PHE A 53 13.844 0.327 -4.630 1.00 0.00 C ATOM 218 CG PHE A 53 13.499 0.112 -3.204 1.00 0.00 C ATOM 219 CD1 PHE A 53 14.074 0.912 -2.267 1.00 0.00 C ATOM 220 CD2 PHE A 53 12.691 -0.908 -2.818 1.00 0.00 C ATOM 221 CE1 PHE A 53 13.872 0.702 -0.932 1.00 0.00 C ATOM 222 CE2 PHE A 53 12.511 -1.110 -1.515 1.00 0.00 C ATOM 223 CZ PHE A 53 13.077 -0.333 -0.560 1.00 0.00 C ATOM 0 H PHE A 53 15.439 2.142 -4.456 1.00 0.00 H new ATOM 0 HA PHE A 53 15.642 -0.550 -3.952 1.00 0.00 H new ATOM 0 HB2 PHE A 53 13.596 1.344 -4.934 1.00 0.00 H new ATOM 0 HB3 PHE A 53 13.270 -0.345 -5.268 1.00 0.00 H new ATOM 0 HD1 PHE A 53 14.703 1.730 -2.584 1.00 0.00 H new ATOM 0 HD2 PHE A 53 12.207 -1.539 -3.549 1.00 0.00 H new ATOM 0 HE1 PHE A 53 14.332 1.342 -0.194 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.884 -1.932 -1.204 1.00 0.00 H new ATOM 0 HZ PHE A 53 12.897 -0.535 0.486 1.00 0.00 H new ATOM 233 N ASP A 54 15.392 0.112 -7.074 1.00 0.00 N ATOM 234 CA ASP A 54 15.645 -0.369 -8.464 1.00 0.00 C ATOM 235 C ASP A 54 17.036 -1.020 -8.562 1.00 0.00 C ATOM 236 O ASP A 54 17.992 -0.535 -7.993 1.00 0.00 O ATOM 237 CB ASP A 54 15.521 0.825 -9.375 1.00 0.00 C ATOM 238 CG ASP A 54 15.870 0.397 -10.800 1.00 0.00 C ATOM 239 OD1 ASP A 54 15.200 -0.509 -11.268 1.00 0.00 O ATOM 240 OD2 ASP A 54 16.786 1.000 -11.334 1.00 0.00 O ATOM 0 H ASP A 54 14.996 1.050 -7.009 1.00 0.00 H new ATOM 0 HA ASP A 54 14.924 -1.133 -8.755 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.507 1.224 -9.339 1.00 0.00 H new ATOM 0 HB3 ASP A 54 16.189 1.621 -9.046 1.00 0.00 H new ATOM 245 N GLY A 55 17.118 -2.099 -9.290 1.00 0.00 N ATOM 246 CA GLY A 55 18.425 -2.816 -9.440 1.00 0.00 C ATOM 247 C GLY A 55 18.138 -4.245 -8.988 1.00 0.00 C ATOM 248 O GLY A 55 18.703 -5.207 -9.469 1.00 0.00 O ATOM 0 H GLY A 55 16.336 -2.520 -9.791 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.775 -2.790 -10.472 1.00 0.00 H new ATOM 0 HA3 GLY A 55 19.201 -2.356 -8.829 1.00 0.00 H new ATOM 252 N LYS A 56 17.238 -4.282 -8.042 1.00 0.00 N ATOM 253 CA LYS A 56 16.738 -5.533 -7.404 1.00 0.00 C ATOM 254 C LYS A 56 17.646 -6.340 -6.569 1.00 0.00 C ATOM 255 O LYS A 56 18.063 -7.450 -6.826 1.00 0.00 O ATOM 256 CB LYS A 56 16.146 -6.346 -8.502 1.00 0.00 C ATOM 257 CG LYS A 56 15.212 -5.287 -9.020 1.00 0.00 C ATOM 258 CD LYS A 56 13.966 -5.857 -9.709 1.00 0.00 C ATOM 259 CE LYS A 56 14.367 -6.826 -10.816 1.00 0.00 C ATOM 260 NZ LYS A 56 13.158 -7.175 -11.614 1.00 0.00 N ATOM 0 H LYS A 56 16.804 -3.440 -7.665 1.00 0.00 H new ATOM 0 HA LYS A 56 16.032 -5.209 -6.640 1.00 0.00 H new ATOM 0 HB2 LYS A 56 16.879 -6.672 -9.240 1.00 0.00 H new ATOM 0 HB3 LYS A 56 15.631 -7.239 -8.148 1.00 0.00 H new ATOM 0 HG2 LYS A 56 14.901 -4.651 -8.191 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.749 -4.652 -9.725 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.341 -6.369 -8.978 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.370 -5.045 -10.126 1.00 0.00 H new ATOM 0 HE2 LYS A 56 15.124 -6.374 -11.457 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.808 -7.726 -10.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.422 -7.836 -12.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.451 -7.621 -10.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.757 -6.311 -12.032 1.00 0.00 H new ATOM 274 N GLU A 57 17.877 -5.609 -5.540 1.00 0.00 N ATOM 275 CA GLU A 57 18.752 -6.095 -4.442 1.00 0.00 C ATOM 276 C GLU A 57 17.855 -6.615 -3.319 1.00 0.00 C ATOM 277 O GLU A 57 16.678 -6.331 -3.325 1.00 0.00 O ATOM 278 CB GLU A 57 19.583 -5.009 -3.950 1.00 0.00 C ATOM 279 CG GLU A 57 20.957 -4.963 -4.648 1.00 0.00 C ATOM 280 CD GLU A 57 20.906 -4.147 -5.939 1.00 0.00 C ATOM 281 OE1 GLU A 57 20.185 -4.560 -6.831 1.00 0.00 O ATOM 282 OE2 GLU A 57 21.605 -3.146 -5.939 1.00 0.00 O ATOM 0 H GLU A 57 17.494 -4.674 -5.400 1.00 0.00 H new ATOM 0 HA GLU A 57 19.405 -6.889 -4.804 1.00 0.00 H new ATOM 0 HB2 GLU A 57 19.067 -4.061 -4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 57 19.727 -5.122 -2.876 1.00 0.00 H new ATOM 0 HG2 GLU A 57 21.695 -4.530 -3.972 1.00 0.00 H new ATOM 0 HG3 GLU A 57 21.286 -5.978 -4.871 1.00 0.00 H new ATOM 289 N ASN A 58 18.380 -7.374 -2.400 1.00 0.00 N ATOM 290 CA ASN A 58 17.584 -7.900 -1.292 1.00 0.00 C ATOM 291 C ASN A 58 17.647 -7.283 0.111 1.00 0.00 C ATOM 292 O ASN A 58 16.804 -6.556 0.596 1.00 0.00 O ATOM 293 CB ASN A 58 17.912 -9.323 -1.184 1.00 0.00 C ATOM 294 CG ASN A 58 17.536 -10.040 -2.480 1.00 0.00 C ATOM 295 OD1 ASN A 58 16.394 -10.055 -2.894 1.00 0.00 O ATOM 296 ND2 ASN A 58 18.480 -10.648 -3.149 1.00 0.00 N ATOM 0 H ASN A 58 19.361 -7.652 -2.383 1.00 0.00 H new ATOM 0 HA ASN A 58 16.567 -7.636 -1.582 1.00 0.00 H new ATOM 0 HB2 ASN A 58 18.977 -9.446 -0.985 1.00 0.00 H new ATOM 0 HB3 ASN A 58 17.377 -9.766 -0.344 1.00 0.00 H new ATOM 0 HD21 ASN A 58 18.257 -11.134 -4.018 1.00 0.00 H new ATOM 0 HD22 ASN A 58 19.439 -10.636 -2.803 1.00 0.00 H new ATOM 303 N GLU A 59 18.733 -7.670 0.702 1.00 0.00 N ATOM 304 CA GLU A 59 19.212 -7.339 2.038 1.00 0.00 C ATOM 305 C GLU A 59 19.105 -5.858 2.224 1.00 0.00 C ATOM 306 O GLU A 59 18.748 -5.294 3.235 1.00 0.00 O ATOM 307 CB GLU A 59 20.596 -7.764 2.045 1.00 0.00 C ATOM 308 CG GLU A 59 21.018 -8.448 3.353 1.00 0.00 C ATOM 309 CD GLU A 59 20.163 -9.703 3.552 1.00 0.00 C ATOM 310 OE1 GLU A 59 19.885 -10.329 2.540 1.00 0.00 O ATOM 311 OE2 GLU A 59 19.848 -9.958 4.703 1.00 0.00 O ATOM 0 H GLU A 59 19.385 -8.291 0.223 1.00 0.00 H new ATOM 0 HA GLU A 59 18.647 -7.816 2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 59 20.761 -8.451 1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 59 21.235 -6.898 1.874 1.00 0.00 H new ATOM 0 HG2 GLU A 59 22.075 -8.713 3.316 1.00 0.00 H new ATOM 0 HG3 GLU A 59 20.889 -7.766 4.194 1.00 0.00 H new ATOM 318 N GLU A 60 19.478 -5.349 1.101 1.00 0.00 N ATOM 319 CA GLU A 60 19.574 -3.979 0.754 1.00 0.00 C ATOM 320 C GLU A 60 18.246 -3.349 0.872 1.00 0.00 C ATOM 321 O GLU A 60 18.036 -2.518 1.723 1.00 0.00 O ATOM 322 CB GLU A 60 20.096 -3.984 -0.630 1.00 0.00 C ATOM 323 CG GLU A 60 21.037 -2.862 -0.708 1.00 0.00 C ATOM 324 CD GLU A 60 21.425 -2.555 -2.155 1.00 0.00 C ATOM 325 OE1 GLU A 60 20.516 -2.216 -2.899 1.00 0.00 O ATOM 326 OE2 GLU A 60 22.606 -2.676 -2.436 1.00 0.00 O ATOM 0 H GLU A 60 19.751 -5.949 0.323 1.00 0.00 H new ATOM 0 HA GLU A 60 20.230 -3.400 1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 60 20.593 -4.927 -0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 60 19.288 -3.868 -1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 60 20.589 -1.978 -0.255 1.00 0.00 H new ATOM 0 HG3 GLU A 60 21.932 -3.096 -0.132 1.00 0.00 H new ATOM 333 N LEU A 61 17.421 -3.836 -0.009 1.00 0.00 N ATOM 334 CA LEU A 61 16.044 -3.456 -0.204 1.00 0.00 C ATOM 335 C LEU A 61 15.327 -3.200 1.076 1.00 0.00 C ATOM 336 O LEU A 61 14.456 -2.370 1.225 1.00 0.00 O ATOM 337 CB LEU A 61 15.450 -4.600 -1.017 1.00 0.00 C ATOM 338 CG LEU A 61 15.111 -4.220 -2.426 1.00 0.00 C ATOM 339 CD1 LEU A 61 14.102 -3.232 -2.221 1.00 0.00 C ATOM 340 CD2 LEU A 61 16.274 -3.487 -3.124 1.00 0.00 C ATOM 0 H LEU A 61 17.712 -4.565 -0.661 1.00 0.00 H new ATOM 0 HA LEU A 61 15.949 -2.504 -0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.157 -5.429 -1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.549 -4.959 -0.519 1.00 0.00 H new ATOM 0 HG LEU A 61 14.850 -5.091 -3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.756 -2.860 -3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.265 -3.674 -1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.514 -2.407 -1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 61 15.983 -3.231 -4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.512 -2.576 -2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.150 -4.135 -3.149 1.00 0.00 H new ATOM 352 N GLU A 62 15.799 -4.005 1.957 1.00 0.00 N ATOM 353 CA GLU A 62 15.375 -4.109 3.304 1.00 0.00 C ATOM 354 C GLU A 62 15.989 -3.172 4.321 1.00 0.00 C ATOM 355 O GLU A 62 15.356 -2.534 5.133 1.00 0.00 O ATOM 356 CB GLU A 62 15.667 -5.495 3.523 1.00 0.00 C ATOM 357 CG GLU A 62 14.572 -6.308 2.940 1.00 0.00 C ATOM 358 CD GLU A 62 15.009 -7.772 2.887 1.00 0.00 C ATOM 359 OE1 GLU A 62 15.511 -8.232 3.899 1.00 0.00 O ATOM 360 OE2 GLU A 62 14.814 -8.346 1.828 1.00 0.00 O ATOM 0 H GLU A 62 16.550 -4.659 1.737 1.00 0.00 H new ATOM 0 HA GLU A 62 14.341 -3.797 3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.619 -5.758 3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.762 -5.698 4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.668 -6.207 3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.331 -5.951 1.939 1.00 0.00 H new ATOM 367 N ALA A 63 17.266 -3.171 4.208 1.00 0.00 N ATOM 368 CA ALA A 63 18.170 -2.386 5.027 1.00 0.00 C ATOM 369 C ALA A 63 17.621 -0.991 5.066 1.00 0.00 C ATOM 370 O ALA A 63 17.700 -0.307 6.068 1.00 0.00 O ATOM 371 CB ALA A 63 19.539 -2.417 4.398 1.00 0.00 C ATOM 0 H ALA A 63 17.752 -3.739 3.514 1.00 0.00 H new ATOM 0 HA ALA A 63 18.256 -2.777 6.041 1.00 0.00 H new ATOM 0 HB1 ALA A 63 20.231 -1.831 5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 63 19.890 -3.447 4.341 1.00 0.00 H new ATOM 0 HB3 ALA A 63 19.488 -1.996 3.394 1.00 0.00 H new ATOM 377 N LEU A 64 17.078 -0.640 3.927 1.00 0.00 N ATOM 378 CA LEU A 64 16.504 0.670 3.746 1.00 0.00 C ATOM 379 C LEU A 64 15.010 0.787 3.708 1.00 0.00 C ATOM 380 O LEU A 64 14.439 1.857 3.794 1.00 0.00 O ATOM 381 CB LEU A 64 17.200 1.235 2.524 1.00 0.00 C ATOM 382 CG LEU A 64 16.497 0.918 1.251 1.00 0.00 C ATOM 383 CD1 LEU A 64 16.637 2.109 0.294 1.00 0.00 C ATOM 384 CD2 LEU A 64 17.025 -0.280 0.604 1.00 0.00 C ATOM 0 H LEU A 64 17.021 -1.246 3.108 1.00 0.00 H new ATOM 0 HA LEU A 64 16.682 1.255 4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 64 17.281 2.317 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 64 18.216 0.843 2.478 1.00 0.00 H new ATOM 0 HG LEU A 64 15.451 0.727 1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.125 1.886 -0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 64 16.193 2.995 0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 64 17.693 2.294 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 64 16.477 -0.466 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 64 18.081 -0.135 0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 64 16.911 -1.134 1.272 1.00 0.00 H new ATOM 396 N ASN A 65 14.503 -0.390 3.562 1.00 0.00 N ATOM 397 CA ASN A 65 13.038 -0.686 3.454 1.00 0.00 C ATOM 398 C ASN A 65 12.092 0.463 3.781 1.00 0.00 C ATOM 399 O ASN A 65 12.185 1.178 4.760 1.00 0.00 O ATOM 400 CB ASN A 65 12.647 -1.798 4.394 1.00 0.00 C ATOM 401 CG ASN A 65 12.776 -1.303 5.844 1.00 0.00 C ATOM 402 OD1 ASN A 65 13.801 -0.810 6.272 1.00 0.00 O ATOM 403 ND2 ASN A 65 11.746 -1.416 6.641 1.00 0.00 N ATOM 0 H ASN A 65 15.081 -1.229 3.508 1.00 0.00 H new ATOM 0 HA ASN A 65 12.925 -0.934 2.399 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.623 -2.115 4.195 1.00 0.00 H new ATOM 0 HB3 ASN A 65 13.286 -2.666 4.235 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.810 -1.093 7.606 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.878 -1.827 6.298 1.00 0.00 H new ATOM 410 N ILE A 66 11.165 0.564 2.874 1.00 0.00 N ATOM 411 CA ILE A 66 10.134 1.598 2.933 1.00 0.00 C ATOM 412 C ILE A 66 8.838 0.997 2.734 1.00 0.00 C ATOM 413 O ILE A 66 8.596 0.079 1.981 1.00 0.00 O ATOM 414 CB ILE A 66 10.486 2.573 1.869 1.00 0.00 C ATOM 415 CG1 ILE A 66 9.467 3.756 1.905 1.00 0.00 C ATOM 416 CG2 ILE A 66 10.704 1.978 0.428 1.00 0.00 C ATOM 417 CD1 ILE A 66 9.621 4.728 0.725 1.00 0.00 C ATOM 0 H ILE A 66 11.089 -0.058 2.069 1.00 0.00 H new ATOM 0 HA ILE A 66 10.087 2.103 3.898 1.00 0.00 H new ATOM 0 HB ILE A 66 11.485 2.941 2.103 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.454 3.354 1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.592 4.306 2.838 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.956 2.782 -0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.517 1.253 0.453 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.790 1.486 0.095 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.883 5.525 0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 66 10.623 5.158 0.736 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.467 4.191 -0.211 1.00 0.00 H new ATOM 429 N GLU A 67 8.043 1.631 3.509 1.00 0.00 N ATOM 430 CA GLU A 67 6.683 1.266 3.534 1.00 0.00 C ATOM 431 C GLU A 67 6.070 2.541 3.121 1.00 0.00 C ATOM 432 O GLU A 67 6.323 3.606 3.642 1.00 0.00 O ATOM 433 CB GLU A 67 6.415 0.846 4.925 1.00 0.00 C ATOM 434 CG GLU A 67 7.600 0.010 5.409 1.00 0.00 C ATOM 435 CD GLU A 67 7.228 -0.715 6.700 1.00 0.00 C ATOM 436 OE1 GLU A 67 6.875 -0.010 7.632 1.00 0.00 O ATOM 437 OE2 GLU A 67 7.325 -1.930 6.674 1.00 0.00 O ATOM 0 H GLU A 67 8.308 2.397 4.128 1.00 0.00 H new ATOM 0 HA GLU A 67 6.325 0.449 2.908 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.278 1.717 5.565 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.494 0.265 4.976 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.884 -0.713 4.644 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.465 0.652 5.578 1.00 0.00 H new ATOM 444 N VAL A 68 5.294 2.376 2.115 1.00 0.00 N ATOM 445 CA VAL A 68 4.581 3.475 1.557 1.00 0.00 C ATOM 446 C VAL A 68 3.181 3.154 1.565 1.00 0.00 C ATOM 447 O VAL A 68 2.689 2.045 1.607 1.00 0.00 O ATOM 448 CB VAL A 68 5.040 3.731 0.190 1.00 0.00 C ATOM 449 CG1 VAL A 68 6.012 4.724 0.567 1.00 0.00 C ATOM 450 CG2 VAL A 68 5.774 2.506 -0.401 1.00 0.00 C ATOM 0 H VAL A 68 5.132 1.481 1.653 1.00 0.00 H new ATOM 0 HA VAL A 68 4.757 4.376 2.145 1.00 0.00 H new ATOM 0 HB VAL A 68 4.279 3.983 -0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.520 5.093 -0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.511 5.552 1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.742 4.280 1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.100 2.732 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.642 2.270 0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.098 1.651 -0.419 1.00 0.00 H new ATOM 460 N ALA A 69 2.627 4.293 1.524 1.00 0.00 N ATOM 461 CA ALA A 69 1.196 4.376 1.525 1.00 0.00 C ATOM 462 C ALA A 69 0.359 4.904 0.452 1.00 0.00 C ATOM 463 O ALA A 69 0.763 5.364 -0.595 1.00 0.00 O ATOM 464 CB ALA A 69 0.862 5.036 2.621 1.00 0.00 C ATOM 0 H ALA A 69 3.120 5.185 1.489 1.00 0.00 H new ATOM 0 HA ALA A 69 0.969 3.317 1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.223 5.129 2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.222 4.495 3.496 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.311 6.029 2.599 1.00 0.00 H new ATOM 470 N VAL A 70 -0.866 4.778 0.851 1.00 0.00 N ATOM 471 CA VAL A 70 -1.937 5.214 -0.063 1.00 0.00 C ATOM 472 C VAL A 70 -3.211 5.810 0.411 1.00 0.00 C ATOM 473 O VAL A 70 -3.917 5.360 1.284 1.00 0.00 O ATOM 474 CB VAL A 70 -2.386 4.105 -0.934 1.00 0.00 C ATOM 475 CG1 VAL A 70 -1.170 3.604 -1.538 1.00 0.00 C ATOM 476 CG2 VAL A 70 -2.984 2.938 -0.147 1.00 0.00 C ATOM 0 H VAL A 70 -1.167 4.401 1.750 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.381 6.037 -0.512 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.146 4.468 -1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.409 2.775 -2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.692 4.401 -2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.492 3.259 -0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.296 2.155 -0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.236 2.540 0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.847 3.286 0.420 1.00 0.00 H new ATOM 486 N ALA A 71 -3.427 6.885 -0.237 1.00 0.00 N ATOM 487 CA ALA A 71 -4.622 7.698 -0.013 1.00 0.00 C ATOM 488 C ALA A 71 -5.289 7.685 -1.319 1.00 0.00 C ATOM 489 O ALA A 71 -4.960 6.944 -2.222 1.00 0.00 O ATOM 490 CB ALA A 71 -4.281 9.113 0.275 1.00 0.00 C ATOM 0 H ALA A 71 -2.796 7.255 -0.948 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.205 7.315 0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.196 9.683 0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.661 9.163 1.170 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.734 9.535 -0.569 1.00 0.00 H new ATOM 496 N GLY A 72 -6.244 8.553 -1.335 1.00 0.00 N ATOM 497 CA GLY A 72 -6.973 8.661 -2.626 1.00 0.00 C ATOM 498 C GLY A 72 -8.174 7.800 -2.646 1.00 0.00 C ATOM 499 O GLY A 72 -8.869 7.757 -1.647 1.00 0.00 O ATOM 0 H GLY A 72 -6.544 9.159 -0.571 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.265 9.698 -2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.309 8.380 -3.444 1.00 0.00 H new ATOM 503 N ARG A 73 -8.310 7.191 -3.812 1.00 0.00 N ATOM 504 CA ARG A 73 -9.399 6.267 -4.143 1.00 0.00 C ATOM 505 C ARG A 73 -9.213 5.423 -5.430 1.00 0.00 C ATOM 506 O ARG A 73 -8.506 5.773 -6.358 1.00 0.00 O ATOM 507 CB ARG A 73 -10.581 7.058 -4.304 1.00 0.00 C ATOM 508 CG ARG A 73 -10.290 8.257 -5.242 1.00 0.00 C ATOM 509 CD ARG A 73 -11.305 8.300 -6.399 1.00 0.00 C ATOM 510 NE ARG A 73 -11.155 7.060 -7.218 1.00 0.00 N ATOM 511 CZ ARG A 73 -10.716 7.150 -8.446 1.00 0.00 C ATOM 512 NH1 ARG A 73 -9.540 7.673 -8.654 1.00 0.00 N ATOM 513 NH2 ARG A 73 -11.452 6.716 -9.433 1.00 0.00 N ATOM 0 H ARG A 73 -7.652 7.325 -4.580 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.441 5.543 -3.330 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.384 6.448 -4.718 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.923 7.419 -3.334 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.336 9.188 -4.676 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.279 8.176 -5.641 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.320 8.373 -6.008 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.136 9.182 -7.016 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.393 6.151 -6.822 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.982 8.002 -7.866 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -9.178 7.753 -9.604 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.368 6.308 -9.245 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.111 6.785 -10.392 1.00 0.00 H new ATOM 527 N MET A 74 -9.868 4.293 -5.398 1.00 0.00 N ATOM 528 CA MET A 74 -9.851 3.332 -6.536 1.00 0.00 C ATOM 529 C MET A 74 -11.033 2.387 -6.469 1.00 0.00 C ATOM 530 O MET A 74 -12.132 2.741 -6.086 1.00 0.00 O ATOM 531 CB MET A 74 -8.632 2.578 -6.525 1.00 0.00 C ATOM 532 CG MET A 74 -8.324 2.169 -8.050 1.00 0.00 C ATOM 533 SD MET A 74 -9.416 2.620 -9.425 1.00 0.00 S ATOM 534 CE MET A 74 -9.298 1.044 -10.306 1.00 0.00 C ATOM 0 H MET A 74 -10.431 3.989 -4.604 1.00 0.00 H new ATOM 0 HA MET A 74 -9.918 3.904 -7.461 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.815 3.170 -6.111 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.732 1.691 -5.900 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.341 2.575 -8.288 1.00 0.00 H new ATOM 0 HG3 MET A 74 -8.234 1.083 -8.068 1.00 0.00 H new ATOM 0 HE1 MET A 74 -9.946 1.067 -11.182 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.268 0.880 -10.621 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.609 0.234 -9.646 1.00 0.00 H new ATOM 544 N MET A 75 -10.699 1.195 -6.863 1.00 0.00 N ATOM 545 CA MET A 75 -11.636 0.051 -6.904 1.00 0.00 C ATOM 546 C MET A 75 -11.018 -1.260 -7.438 1.00 0.00 C ATOM 547 O MET A 75 -11.791 -2.189 -7.562 1.00 0.00 O ATOM 548 CB MET A 75 -12.843 0.387 -7.795 1.00 0.00 C ATOM 549 CG MET A 75 -12.355 0.635 -9.229 1.00 0.00 C ATOM 550 SD MET A 75 -13.613 0.820 -10.519 1.00 0.00 S ATOM 551 CE MET A 75 -13.751 2.624 -10.503 1.00 0.00 C ATOM 0 H MET A 75 -9.757 0.959 -7.176 1.00 0.00 H new ATOM 0 HA MET A 75 -11.923 -0.115 -5.866 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.562 -0.432 -7.779 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.357 1.270 -7.415 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.742 1.536 -9.225 1.00 0.00 H new ATOM 0 HG3 MET A 75 -11.703 -0.192 -9.511 1.00 0.00 H new ATOM 0 HE1 MET A 75 -14.489 2.939 -11.241 1.00 0.00 H new ATOM 0 HE2 MET A 75 -14.064 2.956 -9.513 1.00 0.00 H new ATOM 0 HE3 MET A 75 -12.784 3.065 -10.745 1.00 0.00 H new ATOM 561 N THR A 76 -9.737 -1.413 -7.746 1.00 0.00 N ATOM 562 CA THR A 76 -9.393 -2.773 -8.254 1.00 0.00 C ATOM 563 C THR A 76 -8.833 -3.787 -7.338 1.00 0.00 C ATOM 564 O THR A 76 -7.681 -3.773 -6.973 1.00 0.00 O ATOM 565 CB THR A 76 -8.467 -2.674 -9.374 1.00 0.00 C ATOM 566 OG1 THR A 76 -7.810 -1.426 -9.260 1.00 0.00 O ATOM 567 CG2 THR A 76 -9.383 -2.645 -10.546 1.00 0.00 C ATOM 0 H THR A 76 -8.989 -0.724 -7.675 1.00 0.00 H new ATOM 0 HA THR A 76 -10.388 -3.145 -8.497 1.00 0.00 H new ATOM 0 HB THR A 76 -7.720 -3.465 -9.433 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.436 -1.334 -8.359 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.798 -2.571 -11.463 1.00 0.00 H new ATOM 0 HG22 THR A 76 -9.976 -3.559 -10.567 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.046 -1.784 -10.468 1.00 0.00 H new ATOM 575 N ARG A 77 -9.746 -4.645 -7.024 1.00 0.00 N ATOM 576 CA ARG A 77 -9.449 -5.784 -6.103 1.00 0.00 C ATOM 577 C ARG A 77 -9.244 -7.129 -6.786 1.00 0.00 C ATOM 578 O ARG A 77 -9.631 -7.323 -7.922 1.00 0.00 O ATOM 579 CB ARG A 77 -10.585 -5.899 -5.093 1.00 0.00 C ATOM 580 CG ARG A 77 -11.910 -6.125 -5.811 1.00 0.00 C ATOM 581 CD ARG A 77 -13.013 -5.942 -4.777 1.00 0.00 C ATOM 582 NE ARG A 77 -14.307 -5.887 -5.505 1.00 0.00 N ATOM 583 CZ ARG A 77 -14.915 -4.737 -5.584 1.00 0.00 C ATOM 584 NH1 ARG A 77 -15.657 -4.332 -4.588 1.00 0.00 N ATOM 585 NH2 ARG A 77 -14.749 -4.024 -6.665 1.00 0.00 N ATOM 0 H ARG A 77 -10.706 -4.614 -7.367 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.495 -5.552 -5.629 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.389 -6.724 -4.408 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.639 -4.991 -4.492 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -12.029 -5.418 -6.632 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -11.949 -7.125 -6.244 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -13.010 -6.766 -4.064 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -12.855 -5.026 -4.207 1.00 0.00 H new ATOM 0 HE ARG A 77 -14.707 -6.724 -5.930 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -15.757 -4.915 -3.757 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -16.136 -3.433 -4.642 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -14.156 -4.371 -7.419 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -15.212 -3.120 -6.756 1.00 0.00 H new ATOM 599 N ARG A 78 -8.635 -8.031 -6.064 1.00 0.00 N ATOM 600 CA ARG A 78 -8.393 -9.384 -6.635 1.00 0.00 C ATOM 601 C ARG A 78 -8.543 -10.346 -5.468 1.00 0.00 C ATOM 602 O ARG A 78 -7.852 -11.338 -5.343 1.00 0.00 O ATOM 603 CB ARG A 78 -6.973 -9.422 -7.222 1.00 0.00 C ATOM 604 CG ARG A 78 -6.900 -9.956 -8.665 1.00 0.00 C ATOM 605 CD ARG A 78 -7.300 -11.431 -8.766 1.00 0.00 C ATOM 606 NE ARG A 78 -8.778 -11.540 -8.646 1.00 0.00 N ATOM 607 CZ ARG A 78 -9.467 -11.876 -9.702 1.00 0.00 C ATOM 608 NH1 ARG A 78 -9.263 -11.221 -10.814 1.00 0.00 N ATOM 609 NH2 ARG A 78 -10.329 -12.849 -9.612 1.00 0.00 N ATOM 0 H ARG A 78 -8.298 -7.890 -5.112 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.083 -9.646 -7.437 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.555 -8.416 -7.197 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.345 -10.044 -6.584 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.554 -9.361 -9.303 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.886 -9.831 -9.044 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.968 -11.847 -9.717 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.815 -12.008 -7.979 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.243 -11.356 -7.757 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.578 -10.466 -10.843 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.789 -11.465 -11.653 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.458 -13.336 -8.725 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.875 -13.124 -10.428 1.00 0.00 H new ATOM 623 N ILE A 79 -9.481 -9.969 -4.649 1.00 0.00 N ATOM 624 CA ILE A 79 -9.821 -10.740 -3.420 1.00 0.00 C ATOM 625 C ILE A 79 -9.713 -12.240 -3.429 1.00 0.00 C ATOM 626 O ILE A 79 -10.008 -12.927 -4.387 1.00 0.00 O ATOM 627 CB ILE A 79 -11.230 -10.362 -2.991 1.00 0.00 C ATOM 628 CG1 ILE A 79 -12.147 -10.227 -4.218 1.00 0.00 C ATOM 629 CG2 ILE A 79 -11.059 -9.042 -2.280 1.00 0.00 C ATOM 630 CD1 ILE A 79 -13.595 -10.004 -3.763 1.00 0.00 C ATOM 0 H ILE A 79 -10.046 -9.130 -4.784 1.00 0.00 H new ATOM 0 HA ILE A 79 -9.031 -10.448 -2.728 1.00 0.00 H new ATOM 0 HB ILE A 79 -11.696 -11.112 -2.352 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -11.819 -9.393 -4.839 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -12.083 -11.126 -4.832 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -12.029 -8.688 -1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.393 -9.172 -1.427 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.631 -8.312 -2.967 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -14.240 -9.909 -4.636 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -13.922 -10.852 -3.161 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -13.653 -9.093 -3.168 1.00 0.00 H new ATOM 642 N MET A 80 -9.268 -12.662 -2.279 1.00 0.00 N ATOM 643 CA MET A 80 -9.069 -14.111 -2.026 1.00 0.00 C ATOM 644 C MET A 80 -9.469 -14.467 -0.596 1.00 0.00 C ATOM 645 O MET A 80 -8.750 -15.119 0.134 1.00 0.00 O ATOM 646 CB MET A 80 -7.597 -14.449 -2.291 1.00 0.00 C ATOM 647 CG MET A 80 -6.687 -13.544 -1.446 1.00 0.00 C ATOM 648 SD MET A 80 -4.951 -14.029 -1.310 1.00 0.00 S ATOM 649 CE MET A 80 -5.159 -15.131 0.111 1.00 0.00 C ATOM 0 H MET A 80 -9.031 -12.054 -1.495 1.00 0.00 H new ATOM 0 HA MET A 80 -9.702 -14.698 -2.692 1.00 0.00 H new ATOM 0 HB2 MET A 80 -7.407 -15.495 -2.051 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.371 -14.319 -3.349 1.00 0.00 H new ATOM 0 HG2 MET A 80 -6.727 -12.538 -1.864 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.104 -13.488 -0.440 1.00 0.00 H new ATOM 0 HE1 MET A 80 -4.553 -16.026 -0.031 1.00 0.00 H new ATOM 0 HE2 MET A 80 -4.842 -14.618 1.019 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.208 -15.414 0.202 1.00 0.00 H new ATOM 659 N GLY A 81 -10.632 -14.005 -0.247 1.00 0.00 N ATOM 660 CA GLY A 81 -11.176 -14.264 1.121 1.00 0.00 C ATOM 661 C GLY A 81 -11.057 -13.034 2.025 1.00 0.00 C ATOM 662 O GLY A 81 -11.988 -12.264 2.149 1.00 0.00 O ATOM 0 H GLY A 81 -11.239 -13.453 -0.853 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.223 -14.559 1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.641 -15.099 1.572 1.00 0.00 H new ATOM 666 N LYS A 82 -9.907 -12.895 2.633 1.00 0.00 N ATOM 667 CA LYS A 82 -9.664 -11.736 3.542 1.00 0.00 C ATOM 668 C LYS A 82 -8.388 -10.988 3.201 1.00 0.00 C ATOM 669 O LYS A 82 -8.063 -10.043 3.889 1.00 0.00 O ATOM 670 CB LYS A 82 -9.617 -12.241 5.002 1.00 0.00 C ATOM 671 CG LYS A 82 -8.786 -13.532 5.157 1.00 0.00 C ATOM 672 CD LYS A 82 -9.665 -14.770 4.913 1.00 0.00 C ATOM 673 CE LYS A 82 -8.966 -15.981 5.537 1.00 0.00 C ATOM 674 NZ LYS A 82 -7.578 -16.098 5.022 1.00 0.00 N ATOM 0 H LYS A 82 -9.122 -13.539 2.538 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.484 -11.029 3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -9.195 -11.463 5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.633 -12.423 5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.955 -13.524 4.452 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.355 -13.576 6.157 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -10.651 -14.630 5.356 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.815 -14.926 3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -8.951 -15.881 6.622 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.524 -16.889 5.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.467 -17.005 4.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.385 -15.317 4.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.908 -16.053 5.816 1.00 0.00 H new ATOM 688 N ALA A 83 -7.687 -11.420 2.181 1.00 0.00 N ATOM 689 CA ALA A 83 -6.447 -10.739 1.752 1.00 0.00 C ATOM 690 C ALA A 83 -6.686 -10.352 0.301 1.00 0.00 C ATOM 691 O ALA A 83 -7.629 -10.813 -0.314 1.00 0.00 O ATOM 692 CB ALA A 83 -5.382 -11.612 1.792 1.00 0.00 C ATOM 0 H ALA A 83 -7.936 -12.236 1.622 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.221 -9.888 2.395 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.476 -11.096 1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.251 -11.980 2.810 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.575 -12.452 1.125 1.00 0.00 H new ATOM 698 N SER A 84 -5.845 -9.524 -0.229 1.00 0.00 N ATOM 699 CA SER A 84 -6.053 -9.121 -1.632 1.00 0.00 C ATOM 700 C SER A 84 -4.798 -8.629 -2.326 1.00 0.00 C ATOM 701 O SER A 84 -3.705 -8.601 -1.802 1.00 0.00 O ATOM 702 CB SER A 84 -7.071 -8.019 -1.638 1.00 0.00 C ATOM 703 OG SER A 84 -8.118 -8.479 -2.467 1.00 0.00 O ATOM 0 H SER A 84 -5.036 -9.115 0.239 1.00 0.00 H new ATOM 0 HA SER A 84 -6.379 -10.004 -2.182 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.431 -7.811 -0.630 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.644 -7.092 -2.022 1.00 0.00 H new ATOM 0 HG SER A 84 -8.330 -7.795 -3.136 1.00 0.00 H new ATOM 709 N PHE A 85 -5.069 -8.274 -3.544 1.00 0.00 N ATOM 710 CA PHE A 85 -4.089 -7.727 -4.476 1.00 0.00 C ATOM 711 C PHE A 85 -5.001 -6.625 -4.951 1.00 0.00 C ATOM 712 O PHE A 85 -6.057 -6.862 -5.503 1.00 0.00 O ATOM 713 CB PHE A 85 -3.793 -8.677 -5.531 1.00 0.00 C ATOM 714 CG PHE A 85 -3.185 -9.919 -4.877 1.00 0.00 C ATOM 715 CD1 PHE A 85 -1.908 -9.904 -4.338 1.00 0.00 C ATOM 716 CD2 PHE A 85 -3.932 -11.072 -4.811 1.00 0.00 C ATOM 717 CE1 PHE A 85 -1.386 -11.034 -3.741 1.00 0.00 C ATOM 718 CE2 PHE A 85 -3.417 -12.204 -4.219 1.00 0.00 C ATOM 719 CZ PHE A 85 -2.144 -12.188 -3.683 1.00 0.00 C ATOM 0 H PHE A 85 -6.004 -8.353 -3.945 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.102 -7.452 -4.104 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.699 -8.937 -6.078 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.099 -8.245 -6.252 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.317 -9.001 -4.385 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.929 -11.090 -5.226 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.391 -11.016 -3.322 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.010 -13.106 -4.174 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.742 -13.076 -3.219 1.00 0.00 H new ATOM 729 N VAL A 86 -4.557 -5.439 -4.715 1.00 0.00 N ATOM 730 CA VAL A 86 -5.360 -4.253 -5.104 1.00 0.00 C ATOM 731 C VAL A 86 -4.598 -3.250 -5.928 1.00 0.00 C ATOM 732 O VAL A 86 -3.405 -3.355 -6.066 1.00 0.00 O ATOM 733 CB VAL A 86 -5.855 -3.686 -3.787 1.00 0.00 C ATOM 734 CG1 VAL A 86 -6.067 -2.193 -3.826 1.00 0.00 C ATOM 735 CG2 VAL A 86 -7.215 -4.312 -3.583 1.00 0.00 C ATOM 0 H VAL A 86 -3.665 -5.231 -4.266 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.180 -4.527 -5.767 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.122 -3.893 -3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -6.421 -1.850 -2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.126 -1.698 -4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.808 -1.950 -4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.644 -3.953 -2.648 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.869 -4.039 -4.411 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.114 -5.397 -3.543 1.00 0.00 H new ATOM 745 N THR A 87 -5.309 -2.311 -6.474 1.00 0.00 N ATOM 746 CA THR A 87 -4.663 -1.260 -7.291 1.00 0.00 C ATOM 747 C THR A 87 -5.526 -0.025 -7.046 1.00 0.00 C ATOM 748 O THR A 87 -6.746 -0.098 -7.122 1.00 0.00 O ATOM 749 CB THR A 87 -4.667 -1.629 -8.772 1.00 0.00 C ATOM 750 OG1 THR A 87 -3.845 -2.785 -8.831 1.00 0.00 O ATOM 751 CG2 THR A 87 -3.865 -0.571 -9.537 1.00 0.00 C ATOM 0 H THR A 87 -6.322 -2.227 -6.387 1.00 0.00 H new ATOM 0 HA THR A 87 -3.617 -1.111 -7.023 1.00 0.00 H new ATOM 0 HB THR A 87 -5.678 -1.737 -9.165 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.789 -3.100 -9.757 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.857 -0.818 -10.599 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.325 0.407 -9.396 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.842 -0.548 -9.162 1.00 0.00 H new ATOM 759 N LEU A 88 -4.814 1.041 -6.753 1.00 0.00 N ATOM 760 CA LEU A 88 -5.430 2.369 -6.472 1.00 0.00 C ATOM 761 C LEU A 88 -4.953 3.548 -7.293 1.00 0.00 C ATOM 762 O LEU A 88 -3.974 3.445 -8.001 1.00 0.00 O ATOM 763 CB LEU A 88 -5.192 2.736 -5.067 1.00 0.00 C ATOM 764 CG LEU A 88 -6.310 2.242 -4.184 1.00 0.00 C ATOM 765 CD1 LEU A 88 -5.840 1.073 -3.381 1.00 0.00 C ATOM 766 CD2 LEU A 88 -6.740 3.405 -3.325 1.00 0.00 C ATOM 0 H LEU A 88 -3.796 1.038 -6.697 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.475 2.208 -6.735 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.245 2.313 -4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.106 3.819 -4.980 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.165 1.891 -4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.651 0.719 -2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.529 0.272 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.996 1.374 -2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.551 3.091 -2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.896 3.745 -2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.084 4.220 -3.962 1.00 0.00 H new ATOM 778 N GLN A 89 -5.669 4.645 -7.168 1.00 0.00 N ATOM 779 CA GLN A 89 -5.283 5.841 -7.920 1.00 0.00 C ATOM 780 C GLN A 89 -5.288 7.018 -6.937 1.00 0.00 C ATOM 781 O GLN A 89 -6.030 7.006 -5.974 1.00 0.00 O ATOM 782 CB GLN A 89 -6.294 6.177 -8.951 1.00 0.00 C ATOM 783 CG GLN A 89 -6.892 4.985 -9.675 1.00 0.00 C ATOM 784 CD GLN A 89 -7.788 5.535 -10.793 1.00 0.00 C ATOM 785 OE1 GLN A 89 -7.315 6.050 -11.786 1.00 0.00 O ATOM 786 NE2 GLN A 89 -9.085 5.450 -10.668 1.00 0.00 N ATOM 0 H GLN A 89 -6.495 4.744 -6.577 1.00 0.00 H new ATOM 0 HA GLN A 89 -4.315 5.660 -8.388 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.100 6.738 -8.478 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.835 6.837 -9.687 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.106 4.352 -10.088 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.470 4.368 -8.987 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.490 5.019 -9.837 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.693 5.815 -11.401 1.00 0.00 H new ATOM 795 N ASP A 90 -4.469 8.002 -7.176 1.00 0.00 N ATOM 796 CA ASP A 90 -4.453 9.166 -6.271 1.00 0.00 C ATOM 797 C ASP A 90 -4.017 10.327 -7.132 1.00 0.00 C ATOM 798 O ASP A 90 -3.810 10.181 -8.320 1.00 0.00 O ATOM 799 CB ASP A 90 -3.487 8.916 -5.123 1.00 0.00 C ATOM 800 CG ASP A 90 -2.194 8.231 -5.541 1.00 0.00 C ATOM 801 OD1 ASP A 90 -2.237 7.015 -5.606 1.00 0.00 O ATOM 802 OD2 ASP A 90 -1.246 8.956 -5.768 1.00 0.00 O ATOM 0 H ASP A 90 -3.815 8.044 -7.958 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.423 9.362 -5.815 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.246 9.868 -4.651 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.984 8.304 -4.370 1.00 0.00 H new ATOM 807 N VAL A 91 -3.899 11.449 -6.500 1.00 0.00 N ATOM 808 CA VAL A 91 -3.492 12.685 -7.133 1.00 0.00 C ATOM 809 C VAL A 91 -2.149 12.399 -7.786 1.00 0.00 C ATOM 810 O VAL A 91 -1.851 12.751 -8.912 1.00 0.00 O ATOM 811 CB VAL A 91 -3.323 13.703 -6.100 1.00 0.00 C ATOM 812 CG1 VAL A 91 -3.829 15.005 -6.658 1.00 0.00 C ATOM 813 CG2 VAL A 91 -3.861 13.342 -4.750 1.00 0.00 C ATOM 0 H VAL A 91 -4.085 11.546 -5.502 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.223 13.036 -7.861 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.262 13.798 -5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.717 15.790 -5.910 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.256 15.267 -7.547 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.882 14.903 -6.922 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.685 14.164 -4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.932 13.152 -4.824 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.358 12.446 -4.386 1.00 0.00 H new ATOM 823 N GLY A 92 -1.390 11.734 -6.962 1.00 0.00 N ATOM 824 CA GLY A 92 -0.012 11.324 -7.336 1.00 0.00 C ATOM 825 C GLY A 92 -0.059 10.434 -8.566 1.00 0.00 C ATOM 826 O GLY A 92 0.833 10.462 -9.391 1.00 0.00 O ATOM 0 H GLY A 92 -1.675 11.452 -6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.598 12.205 -7.536 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.457 10.792 -6.508 1.00 0.00 H new ATOM 830 N GLY A 93 -1.107 9.664 -8.661 1.00 0.00 N ATOM 831 CA GLY A 93 -1.208 8.764 -9.850 1.00 0.00 C ATOM 832 C GLY A 93 -1.536 7.376 -9.353 1.00 0.00 C ATOM 833 O GLY A 93 -1.999 7.249 -8.242 1.00 0.00 O ATOM 0 H GLY A 93 -1.876 9.616 -7.993 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.981 9.118 -10.532 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.270 8.759 -10.406 1.00 0.00 H new ATOM 837 N ARG A 94 -1.308 6.354 -10.134 1.00 0.00 N ATOM 838 CA ARG A 94 -1.646 5.020 -9.621 1.00 0.00 C ATOM 839 C ARG A 94 -0.472 4.148 -9.246 1.00 0.00 C ATOM 840 O ARG A 94 0.630 4.251 -9.742 1.00 0.00 O ATOM 841 CB ARG A 94 -2.389 4.276 -10.624 1.00 0.00 C ATOM 842 CG ARG A 94 -3.718 4.819 -10.955 1.00 0.00 C ATOM 843 CD ARG A 94 -3.673 6.140 -11.746 1.00 0.00 C ATOM 844 NE ARG A 94 -2.788 5.953 -12.939 1.00 0.00 N ATOM 845 CZ ARG A 94 -1.755 6.732 -13.119 1.00 0.00 C ATOM 846 NH1 ARG A 94 -1.865 8.006 -12.858 1.00 0.00 N ATOM 847 NH2 ARG A 94 -0.637 6.217 -13.558 1.00 0.00 N ATOM 0 H ARG A 94 -0.914 6.392 -11.074 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.215 5.228 -8.715 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.794 4.235 -11.536 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.510 3.250 -10.276 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -4.268 4.078 -11.535 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.275 4.979 -10.032 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -4.676 6.427 -12.061 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.294 6.945 -11.116 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.992 5.215 -13.613 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -2.750 8.382 -12.518 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -1.066 8.625 -12.994 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -0.579 5.218 -13.756 1.00 0.00 H new ATOM 0 HH22 ARG A 94 0.177 6.814 -13.703 1.00 0.00 H new ATOM 861 N ILE A 95 -0.836 3.297 -8.334 1.00 0.00 N ATOM 862 CA ILE A 95 0.122 2.294 -7.765 1.00 0.00 C ATOM 863 C ILE A 95 -0.562 0.931 -7.628 1.00 0.00 C ATOM 864 O ILE A 95 -1.780 0.886 -7.627 1.00 0.00 O ATOM 865 CB ILE A 95 0.588 2.799 -6.383 1.00 0.00 C ATOM 866 CG1 ILE A 95 -0.258 2.221 -5.210 1.00 0.00 C ATOM 867 CG2 ILE A 95 0.407 4.327 -6.374 1.00 0.00 C ATOM 868 CD1 ILE A 95 -1.695 2.785 -5.166 1.00 0.00 C ATOM 0 H ILE A 95 -1.778 3.247 -7.945 1.00 0.00 H new ATOM 0 HA ILE A 95 0.980 2.178 -8.427 1.00 0.00 H new ATOM 0 HB ILE A 95 1.621 2.483 -6.237 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.302 1.136 -5.302 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.242 2.441 -4.266 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.726 4.726 -5.411 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.009 4.769 -7.167 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.643 4.570 -6.537 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.233 2.344 -4.327 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.657 3.868 -5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.210 2.542 -6.096 1.00 0.00 H new ATOM 880 N GLN A 96 0.189 -0.145 -7.510 1.00 0.00 N ATOM 881 CA GLN A 96 -0.525 -1.431 -7.365 1.00 0.00 C ATOM 882 C GLN A 96 -0.016 -1.907 -6.019 1.00 0.00 C ATOM 883 O GLN A 96 1.093 -1.619 -5.616 1.00 0.00 O ATOM 884 CB GLN A 96 -0.143 -2.382 -8.500 1.00 0.00 C ATOM 885 CG GLN A 96 1.155 -3.052 -8.178 1.00 0.00 C ATOM 886 CD GLN A 96 1.517 -3.976 -9.341 1.00 0.00 C ATOM 887 OE1 GLN A 96 1.577 -3.558 -10.481 1.00 0.00 O ATOM 888 NE2 GLN A 96 1.763 -5.234 -9.104 1.00 0.00 N ATOM 0 H GLN A 96 1.208 -0.180 -7.509 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.612 -1.364 -7.414 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -0.924 -3.129 -8.641 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.057 -1.831 -9.436 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.938 -2.310 -8.024 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.070 -3.621 -7.252 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.715 -5.592 -8.150 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.004 -5.860 -9.872 1.00 0.00 H new ATOM 897 N LEU A 97 -0.870 -2.626 -5.365 1.00 0.00 N ATOM 898 CA LEU A 97 -0.546 -3.164 -4.034 1.00 0.00 C ATOM 899 C LEU A 97 -1.176 -4.527 -3.743 1.00 0.00 C ATOM 900 O LEU A 97 -1.666 -5.233 -4.602 1.00 0.00 O ATOM 901 CB LEU A 97 -0.991 -2.114 -3.000 1.00 0.00 C ATOM 902 CG LEU A 97 -2.465 -1.819 -3.177 1.00 0.00 C ATOM 903 CD1 LEU A 97 -3.076 -1.600 -1.796 1.00 0.00 C ATOM 904 CD2 LEU A 97 -2.574 -0.499 -3.959 1.00 0.00 C ATOM 0 H LEU A 97 -1.800 -2.867 -5.708 1.00 0.00 H new ATOM 0 HA LEU A 97 0.527 -3.346 -3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.802 -2.480 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.410 -1.200 -3.122 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.972 -2.633 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.140 -1.385 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.944 -2.498 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.582 -0.760 -1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.625 -0.250 -4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.088 0.298 -3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.086 -0.609 -4.928 1.00 0.00 H new ATOM 916 N TYR A 98 -1.109 -4.800 -2.476 1.00 0.00 N ATOM 917 CA TYR A 98 -1.606 -6.029 -1.828 1.00 0.00 C ATOM 918 C TYR A 98 -2.295 -5.578 -0.574 1.00 0.00 C ATOM 919 O TYR A 98 -1.919 -4.586 0.004 1.00 0.00 O ATOM 920 CB TYR A 98 -0.371 -6.867 -1.575 1.00 0.00 C ATOM 921 CG TYR A 98 -0.479 -8.127 -0.701 1.00 0.00 C ATOM 922 CD1 TYR A 98 -0.843 -8.218 0.657 1.00 0.00 C ATOM 923 CD2 TYR A 98 -0.147 -9.278 -1.378 1.00 0.00 C ATOM 924 CE1 TYR A 98 -0.857 -9.459 1.266 1.00 0.00 C ATOM 925 CE2 TYR A 98 -0.169 -10.492 -0.764 1.00 0.00 C ATOM 926 CZ TYR A 98 -0.524 -10.601 0.565 1.00 0.00 C ATOM 927 OH TYR A 98 -0.553 -11.829 1.194 1.00 0.00 O ATOM 0 H TYR A 98 -0.688 -4.153 -1.809 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.315 -6.622 -2.405 1.00 0.00 H new ATOM 0 HB2 TYR A 98 0.020 -7.174 -2.545 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.377 -6.217 -1.121 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.107 -7.331 1.214 1.00 0.00 H new ATOM 0 HD2 TYR A 98 0.137 -9.217 -2.418 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.133 -9.537 2.307 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.094 -11.379 -1.322 1.00 0.00 H new ATOM 0 HH TYR A 98 -0.293 -12.528 0.559 1.00 0.00 H new ATOM 937 N VAL A 99 -3.293 -6.296 -0.181 1.00 0.00 N ATOM 938 CA VAL A 99 -4.032 -5.969 1.017 1.00 0.00 C ATOM 939 C VAL A 99 -3.870 -7.271 1.771 1.00 0.00 C ATOM 940 O VAL A 99 -3.752 -8.273 1.102 1.00 0.00 O ATOM 941 CB VAL A 99 -5.427 -5.732 0.599 1.00 0.00 C ATOM 942 CG1 VAL A 99 -5.876 -4.812 1.575 1.00 0.00 C ATOM 943 CG2 VAL A 99 -5.482 -5.090 -0.775 1.00 0.00 C ATOM 0 H VAL A 99 -3.628 -7.126 -0.671 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.724 -5.098 1.595 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.019 -6.645 0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.915 -4.549 1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.798 -5.264 2.564 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.261 -3.913 1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.522 -4.926 -1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.958 -4.135 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.006 -5.747 -1.503 1.00 0.00 H new ATOM 953 N ALA A 100 -3.840 -7.308 3.076 1.00 0.00 N ATOM 954 CA ALA A 100 -3.687 -8.672 3.669 1.00 0.00 C ATOM 955 C ALA A 100 -4.896 -9.271 4.480 1.00 0.00 C ATOM 956 O ALA A 100 -5.922 -8.664 4.652 1.00 0.00 O ATOM 957 CB ALA A 100 -2.346 -8.417 4.339 1.00 0.00 C ATOM 0 H ALA A 100 -3.909 -6.519 3.719 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.701 -9.523 2.988 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -2.021 -9.319 4.858 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -1.607 -8.147 3.584 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -2.446 -7.602 5.056 1.00 0.00 H new ATOM 963 N ARG A 101 -4.751 -10.464 4.987 1.00 0.00 N ATOM 964 CA ARG A 101 -5.786 -11.208 5.733 1.00 0.00 C ATOM 965 C ARG A 101 -6.273 -10.771 7.099 1.00 0.00 C ATOM 966 O ARG A 101 -6.966 -9.793 7.288 1.00 0.00 O ATOM 967 CB ARG A 101 -5.274 -12.699 5.808 1.00 0.00 C ATOM 968 CG ARG A 101 -4.960 -13.350 4.486 1.00 0.00 C ATOM 969 CD ARG A 101 -4.504 -14.771 4.791 1.00 0.00 C ATOM 970 NE ARG A 101 -4.197 -15.445 3.501 1.00 0.00 N ATOM 971 CZ ARG A 101 -4.953 -16.435 3.113 1.00 0.00 C ATOM 972 NH1 ARG A 101 -6.177 -16.173 2.741 1.00 0.00 N ATOM 973 NH2 ARG A 101 -4.469 -17.645 3.108 1.00 0.00 N ATOM 0 H ARG A 101 -3.879 -10.986 4.900 1.00 0.00 H new ATOM 0 HA ARG A 101 -6.693 -11.012 5.161 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -4.377 -12.725 6.427 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -6.030 -13.298 6.317 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.838 -13.356 3.840 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -4.181 -12.799 3.959 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -3.623 -14.758 5.433 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -5.282 -15.313 5.328 1.00 0.00 H new ATOM 0 HE ARG A 101 -3.409 -15.139 2.930 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -6.521 -15.213 2.758 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -6.789 -16.928 2.433 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.508 -17.811 3.406 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -5.052 -18.426 2.807 1.00 0.00 H new ATOM 987 N ASP A 102 -5.869 -11.598 8.002 1.00 0.00 N ATOM 988 CA ASP A 102 -6.184 -11.469 9.446 1.00 0.00 C ATOM 989 C ASP A 102 -5.018 -11.039 10.314 1.00 0.00 C ATOM 990 O ASP A 102 -4.921 -9.949 10.837 1.00 0.00 O ATOM 991 CB ASP A 102 -6.727 -12.814 9.889 1.00 0.00 C ATOM 992 CG ASP A 102 -8.190 -12.943 9.460 1.00 0.00 C ATOM 993 OD1 ASP A 102 -8.453 -12.657 8.306 1.00 0.00 O ATOM 994 OD2 ASP A 102 -8.966 -13.328 10.319 1.00 0.00 O ATOM 0 H ASP A 102 -5.295 -12.413 7.786 1.00 0.00 H new ATOM 0 HA ASP A 102 -6.910 -10.666 9.572 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.137 -13.618 9.450 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.645 -12.912 10.971 1.00 0.00 H new ATOM 999 N ASP A 103 -4.159 -12.016 10.392 1.00 0.00 N ATOM 1000 CA ASP A 103 -2.898 -11.937 11.172 1.00 0.00 C ATOM 1001 C ASP A 103 -1.826 -11.478 10.221 1.00 0.00 C ATOM 1002 O ASP A 103 -0.935 -10.715 10.545 1.00 0.00 O ATOM 1003 CB ASP A 103 -2.576 -13.275 11.677 1.00 0.00 C ATOM 1004 CG ASP A 103 -3.592 -13.785 12.703 1.00 0.00 C ATOM 1005 OD1 ASP A 103 -4.751 -13.891 12.330 1.00 0.00 O ATOM 1006 OD2 ASP A 103 -3.148 -14.046 13.809 1.00 0.00 O ATOM 0 H ASP A 103 -4.291 -12.911 9.920 1.00 0.00 H new ATOM 0 HA ASP A 103 -2.984 -11.251 12.015 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.531 -13.972 10.841 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.585 -13.258 12.132 1.00 0.00 H new ATOM 1011 N LEU A 104 -1.984 -11.989 9.040 1.00 0.00 N ATOM 1012 CA LEU A 104 -1.062 -11.690 7.935 1.00 0.00 C ATOM 1013 C LEU A 104 -1.797 -10.572 7.216 1.00 0.00 C ATOM 1014 O LEU A 104 -2.600 -10.782 6.332 1.00 0.00 O ATOM 1015 CB LEU A 104 -0.944 -12.984 7.158 1.00 0.00 C ATOM 1016 CG LEU A 104 -0.535 -14.100 8.167 1.00 0.00 C ATOM 1017 CD1 LEU A 104 -0.255 -15.392 7.407 1.00 0.00 C ATOM 1018 CD2 LEU A 104 0.711 -13.730 9.001 1.00 0.00 C ATOM 0 H LEU A 104 -2.743 -12.624 8.793 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.045 -11.373 8.166 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.891 -13.230 6.677 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.200 -12.890 6.367 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.368 -14.224 8.859 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.031 -16.173 8.111 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.152 -15.699 6.869 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.556 -15.228 6.697 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.946 -14.546 9.685 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.557 -13.559 8.335 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.510 -12.824 9.573 1.00 0.00 H new ATOM 1030 N PRO A 105 -1.453 -9.404 7.683 1.00 0.00 N ATOM 1031 CA PRO A 105 -2.319 -8.427 8.389 1.00 0.00 C ATOM 1032 C PRO A 105 -3.809 -8.268 8.204 1.00 0.00 C ATOM 1033 O PRO A 105 -4.423 -8.970 7.438 1.00 0.00 O ATOM 1034 CB PRO A 105 -1.573 -7.082 8.187 1.00 0.00 C ATOM 1035 CG PRO A 105 -0.368 -7.420 7.265 1.00 0.00 C ATOM 1036 CD PRO A 105 -0.084 -8.888 7.543 1.00 0.00 C ATOM 0 HA PRO A 105 -2.425 -8.857 9.385 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.223 -6.336 7.729 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -1.237 -6.671 9.139 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.611 -7.253 6.216 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.496 -6.797 7.495 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.458 -9.367 6.728 1.00 0.00 H new ATOM 0 HD3 PRO A 105 0.508 -9.032 8.447 1.00 0.00 H new ATOM 1044 N GLU A 106 -4.312 -7.308 8.943 1.00 0.00 N ATOM 1045 CA GLU A 106 -5.688 -6.898 9.036 1.00 0.00 C ATOM 1046 C GLU A 106 -6.692 -7.089 7.932 1.00 0.00 C ATOM 1047 O GLU A 106 -6.406 -7.345 6.782 1.00 0.00 O ATOM 1048 CB GLU A 106 -5.539 -5.516 9.418 1.00 0.00 C ATOM 1049 CG GLU A 106 -5.761 -5.367 10.887 1.00 0.00 C ATOM 1050 CD GLU A 106 -5.696 -3.875 11.225 1.00 0.00 C ATOM 1051 OE1 GLU A 106 -6.557 -3.178 10.712 1.00 0.00 O ATOM 1052 OE2 GLU A 106 -4.795 -3.521 11.972 1.00 0.00 O ATOM 0 H GLU A 106 -3.713 -6.746 9.547 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.186 -7.592 9.713 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -4.542 -5.162 9.155 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.251 -4.899 8.870 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.729 -5.780 11.170 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.004 -5.918 11.445 1.00 0.00 H new ATOM 1059 N GLY A 107 -7.881 -6.903 8.421 1.00 0.00 N ATOM 1060 CA GLY A 107 -9.103 -7.056 7.563 1.00 0.00 C ATOM 1061 C GLY A 107 -10.019 -5.863 7.320 1.00 0.00 C ATOM 1062 O GLY A 107 -10.834 -5.965 6.426 1.00 0.00 O ATOM 0 H GLY A 107 -8.070 -6.648 9.390 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.772 -7.414 6.588 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.711 -7.847 8.003 1.00 0.00 H new ATOM 1066 N VAL A 108 -9.935 -4.783 8.053 1.00 0.00 N ATOM 1067 CA VAL A 108 -10.825 -3.648 7.769 1.00 0.00 C ATOM 1068 C VAL A 108 -10.638 -3.335 6.269 1.00 0.00 C ATOM 1069 O VAL A 108 -11.533 -2.939 5.569 1.00 0.00 O ATOM 1070 CB VAL A 108 -10.414 -2.482 8.597 1.00 0.00 C ATOM 1071 CG1 VAL A 108 -11.503 -1.446 8.398 1.00 0.00 C ATOM 1072 CG2 VAL A 108 -10.437 -2.888 10.057 1.00 0.00 C ATOM 0 H VAL A 108 -9.288 -4.650 8.830 1.00 0.00 H new ATOM 0 HA VAL A 108 -11.867 -3.871 8.000 1.00 0.00 H new ATOM 0 HB VAL A 108 -9.422 -2.120 8.326 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -11.268 -0.555 8.980 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -11.567 -1.183 7.342 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -12.458 -1.854 8.729 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -10.137 -2.041 10.675 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -11.445 -3.200 10.332 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -9.745 -3.715 10.215 1.00 0.00 H new ATOM 1082 N TYR A 109 -9.421 -3.641 5.920 1.00 0.00 N ATOM 1083 CA TYR A 109 -8.630 -3.581 4.670 1.00 0.00 C ATOM 1084 C TYR A 109 -9.325 -3.366 3.366 1.00 0.00 C ATOM 1085 O TYR A 109 -9.985 -2.371 3.219 1.00 0.00 O ATOM 1086 CB TYR A 109 -7.875 -4.942 4.964 1.00 0.00 C ATOM 1087 CG TYR A 109 -8.165 -6.110 4.011 1.00 0.00 C ATOM 1088 CD1 TYR A 109 -9.480 -6.508 3.707 1.00 0.00 C ATOM 1089 CD2 TYR A 109 -7.131 -6.749 3.411 1.00 0.00 C ATOM 1090 CE1 TYR A 109 -9.696 -7.525 2.805 1.00 0.00 C ATOM 1091 CE2 TYR A 109 -7.322 -7.758 2.504 1.00 0.00 C ATOM 1092 CZ TYR A 109 -8.627 -8.150 2.192 1.00 0.00 C ATOM 1093 OH TYR A 109 -8.901 -9.135 1.267 1.00 0.00 O ATOM 0 H TYR A 109 -8.818 -4.021 6.650 1.00 0.00 H new ATOM 0 HA TYR A 109 -8.019 -2.697 4.487 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -6.803 -4.747 4.947 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -8.126 -5.258 5.977 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -10.317 -6.017 4.180 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -6.122 -6.453 3.656 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -10.705 -7.836 2.576 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -6.477 -8.243 2.037 1.00 0.00 H new ATOM 0 HH TYR A 109 -9.138 -8.722 0.410 1.00 0.00 H new ATOM 1103 N ASN A 110 -9.124 -4.236 2.436 1.00 0.00 N ATOM 1104 CA ASN A 110 -9.743 -4.230 1.114 1.00 0.00 C ATOM 1105 C ASN A 110 -11.205 -3.875 1.381 1.00 0.00 C ATOM 1106 O ASN A 110 -11.894 -3.538 0.437 1.00 0.00 O ATOM 1107 CB ASN A 110 -9.657 -5.618 0.460 1.00 0.00 C ATOM 1108 CG ASN A 110 -10.083 -5.560 -1.005 1.00 0.00 C ATOM 1109 OD1 ASN A 110 -11.237 -5.357 -1.327 1.00 0.00 O ATOM 1110 ND2 ASN A 110 -9.186 -5.729 -1.932 1.00 0.00 N ATOM 0 H ASN A 110 -8.490 -5.024 2.565 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.250 -3.532 0.437 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -8.637 -5.995 0.531 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -10.294 -6.319 1.000 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -9.455 -5.690 -2.915 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -8.214 -5.900 -1.676 1.00 0.00 H new ATOM 1117 N GLU A 111 -11.689 -3.941 2.617 1.00 0.00 N ATOM 1118 CA GLU A 111 -13.065 -3.630 2.739 1.00 0.00 C ATOM 1119 C GLU A 111 -13.377 -2.172 2.872 1.00 0.00 C ATOM 1120 O GLU A 111 -14.376 -1.635 2.435 1.00 0.00 O ATOM 1121 CB GLU A 111 -13.520 -4.392 3.856 1.00 0.00 C ATOM 1122 CG GLU A 111 -14.693 -4.864 3.128 1.00 0.00 C ATOM 1123 CD GLU A 111 -15.767 -5.447 4.042 1.00 0.00 C ATOM 1124 OE1 GLU A 111 -16.144 -4.722 4.949 1.00 0.00 O ATOM 1125 OE2 GLU A 111 -16.150 -6.575 3.777 1.00 0.00 O ATOM 0 H GLU A 111 -11.183 -4.187 3.468 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.586 -3.888 1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.837 -5.182 4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -13.749 -3.799 4.741 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -15.118 -4.037 2.559 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -14.386 -5.622 2.408 1.00 0.00 H new ATOM 1132 N GLN A 112 -12.469 -1.574 3.535 1.00 0.00 N ATOM 1133 CA GLN A 112 -12.491 -0.168 3.804 1.00 0.00 C ATOM 1134 C GLN A 112 -12.393 0.189 2.354 1.00 0.00 C ATOM 1135 O GLN A 112 -13.208 0.910 1.843 1.00 0.00 O ATOM 1136 CB GLN A 112 -11.350 -0.183 4.614 1.00 0.00 C ATOM 1137 CG GLN A 112 -11.253 0.988 5.329 1.00 0.00 C ATOM 1138 CD GLN A 112 -10.115 0.910 6.341 1.00 0.00 C ATOM 1139 OE1 GLN A 112 -9.883 1.819 7.113 1.00 0.00 O ATOM 1140 NE2 GLN A 112 -9.374 -0.162 6.373 1.00 0.00 N ATOM 0 H GLN A 112 -11.657 -2.052 3.925 1.00 0.00 H new ATOM 0 HA GLN A 112 -13.239 0.461 4.286 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.393 -1.031 5.297 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.461 -0.315 3.998 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.084 1.822 4.648 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.193 1.183 5.846 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -9.561 -0.931 5.729 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -8.607 -0.232 7.042 1.00 0.00 H new ATOM 1149 N PHE A 113 -11.381 -0.310 1.717 1.00 0.00 N ATOM 1150 CA PHE A 113 -11.191 -0.045 0.270 1.00 0.00 C ATOM 1151 C PHE A 113 -12.491 -0.266 -0.461 1.00 0.00 C ATOM 1152 O PHE A 113 -12.779 0.398 -1.437 1.00 0.00 O ATOM 1153 CB PHE A 113 -10.271 -0.981 -0.323 1.00 0.00 C ATOM 1154 CG PHE A 113 -8.769 -0.624 -0.235 1.00 0.00 C ATOM 1155 CD1 PHE A 113 -8.285 0.615 0.163 1.00 0.00 C ATOM 1156 CD2 PHE A 113 -7.858 -1.594 -0.595 1.00 0.00 C ATOM 1157 CE1 PHE A 113 -6.923 0.867 0.200 1.00 0.00 C ATOM 1158 CE2 PHE A 113 -6.504 -1.345 -0.561 1.00 0.00 C ATOM 1159 CZ PHE A 113 -6.029 -0.116 -0.163 1.00 0.00 C ATOM 0 H PHE A 113 -10.666 -0.899 2.142 1.00 0.00 H new ATOM 0 HA PHE A 113 -10.822 0.977 0.187 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -10.419 -1.951 0.151 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -10.533 -1.097 -1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -8.979 1.392 0.447 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.212 -2.565 -0.909 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -6.562 1.835 0.514 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -5.809 -2.120 -0.849 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.966 0.076 -0.136 1.00 0.00 H new ATOM 1169 N LYS A 114 -13.236 -1.213 0.049 1.00 0.00 N ATOM 1170 CA LYS A 114 -14.532 -1.500 -0.654 1.00 0.00 C ATOM 1171 C LYS A 114 -15.344 -0.233 -0.654 1.00 0.00 C ATOM 1172 O LYS A 114 -16.043 0.099 -1.591 1.00 0.00 O ATOM 1173 CB LYS A 114 -15.327 -2.605 0.058 1.00 0.00 C ATOM 1174 CG LYS A 114 -16.382 -3.159 -0.894 1.00 0.00 C ATOM 1175 CD LYS A 114 -17.060 -4.323 -0.176 1.00 0.00 C ATOM 1176 CE LYS A 114 -17.976 -5.057 -1.147 1.00 0.00 C ATOM 1177 NZ LYS A 114 -19.042 -4.141 -1.637 1.00 0.00 N ATOM 0 H LYS A 114 -13.025 -1.774 0.874 1.00 0.00 H new ATOM 0 HA LYS A 114 -14.321 -1.841 -1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -14.656 -3.402 0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -15.802 -2.207 0.954 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -17.109 -2.390 -1.154 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -15.924 -3.493 -1.825 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -16.309 -5.007 0.219 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -17.634 -3.955 0.674 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -17.397 -5.437 -1.989 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -18.425 -5.919 -0.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -19.789 -4.695 -2.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -19.447 -3.618 -0.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -18.636 -3.468 -2.318 1.00 0.00 H new ATOM 1191 N LYS A 115 -15.197 0.436 0.440 1.00 0.00 N ATOM 1192 CA LYS A 115 -15.849 1.663 0.713 1.00 0.00 C ATOM 1193 C LYS A 115 -15.220 2.867 0.029 1.00 0.00 C ATOM 1194 O LYS A 115 -15.946 3.779 -0.309 1.00 0.00 O ATOM 1195 CB LYS A 115 -15.821 1.770 2.171 1.00 0.00 C ATOM 1196 CG LYS A 115 -17.198 2.019 2.622 1.00 0.00 C ATOM 1197 CD LYS A 115 -17.148 2.182 4.132 1.00 0.00 C ATOM 1198 CE LYS A 115 -18.563 2.176 4.686 1.00 0.00 C ATOM 1199 NZ LYS A 115 -18.506 1.966 6.159 1.00 0.00 N ATOM 0 H LYS A 115 -14.591 0.124 1.199 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.862 1.665 0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -15.432 0.854 2.615 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -15.163 2.581 2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -17.602 2.915 2.151 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.850 1.191 2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -16.568 1.374 4.577 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -16.648 3.115 4.392 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -19.060 3.119 4.459 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -19.148 1.386 4.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -19.471 1.961 6.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -18.046 1.056 6.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -17.961 2.735 6.598 1.00 0.00 H new ATOM 1213 N TRP A 116 -13.926 2.917 -0.188 1.00 0.00 N ATOM 1214 CA TRP A 116 -13.524 4.181 -0.837 1.00 0.00 C ATOM 1215 C TRP A 116 -13.663 4.451 -2.325 1.00 0.00 C ATOM 1216 O TRP A 116 -13.248 3.769 -3.241 1.00 0.00 O ATOM 1217 CB TRP A 116 -12.183 4.467 -0.527 1.00 0.00 C ATOM 1218 CG TRP A 116 -12.199 4.028 0.892 1.00 0.00 C ATOM 1219 CD1 TRP A 116 -11.381 3.067 1.114 1.00 0.00 C ATOM 1220 CD2 TRP A 116 -12.974 4.217 1.958 1.00 0.00 C ATOM 1221 NE1 TRP A 116 -11.674 2.645 2.314 1.00 0.00 N ATOM 1222 CE2 TRP A 116 -12.648 3.290 2.883 1.00 0.00 C ATOM 1223 CE3 TRP A 116 -13.924 5.114 2.209 1.00 0.00 C ATOM 1224 CZ2 TRP A 116 -13.286 3.166 4.053 1.00 0.00 C ATOM 1225 CZ3 TRP A 116 -14.614 5.064 3.420 1.00 0.00 C ATOM 1226 CH2 TRP A 116 -14.297 4.071 4.349 1.00 0.00 C ATOM 0 H TRP A 116 -13.212 2.222 0.029 1.00 0.00 H new ATOM 0 HA TRP A 116 -14.306 4.810 -0.413 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -11.476 3.905 -1.138 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -11.936 5.522 -0.643 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -10.616 2.689 0.452 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -11.181 1.875 2.766 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -14.159 5.875 1.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -13.022 2.383 4.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -15.387 5.787 3.637 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -14.831 4.008 5.286 1.00 0.00 H new ATOM 1237 N ASP A 117 -14.318 5.558 -2.343 1.00 0.00 N ATOM 1238 CA ASP A 117 -14.802 6.373 -3.476 1.00 0.00 C ATOM 1239 C ASP A 117 -14.110 7.676 -3.726 1.00 0.00 C ATOM 1240 O ASP A 117 -12.998 7.932 -3.343 1.00 0.00 O ATOM 1241 CB ASP A 117 -16.236 6.618 -3.207 1.00 0.00 C ATOM 1242 CG ASP A 117 -16.445 7.258 -1.834 1.00 0.00 C ATOM 1243 OD1 ASP A 117 -16.461 6.491 -0.888 1.00 0.00 O ATOM 1244 OD2 ASP A 117 -16.571 8.467 -1.789 1.00 0.00 O ATOM 0 H ASP A 117 -14.577 5.998 -1.460 1.00 0.00 H new ATOM 0 HA ASP A 117 -14.594 5.809 -4.385 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -16.647 7.268 -3.979 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -16.783 5.677 -3.258 1.00 0.00 H new ATOM 1249 N LEU A 118 -14.935 8.422 -4.394 1.00 0.00 N ATOM 1250 CA LEU A 118 -14.750 9.807 -4.885 1.00 0.00 C ATOM 1251 C LEU A 118 -13.552 10.642 -4.423 1.00 0.00 C ATOM 1252 O LEU A 118 -12.485 10.166 -4.089 1.00 0.00 O ATOM 1253 CB LEU A 118 -16.030 10.366 -4.528 1.00 0.00 C ATOM 1254 CG LEU A 118 -17.198 9.651 -5.227 1.00 0.00 C ATOM 1255 CD1 LEU A 118 -18.390 9.821 -4.423 1.00 0.00 C ATOM 1256 CD2 LEU A 118 -17.256 10.009 -6.619 1.00 0.00 C ATOM 0 H LEU A 118 -15.856 8.066 -4.649 1.00 0.00 H new ATOM 0 HA LEU A 118 -14.474 9.810 -5.939 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -16.163 10.302 -3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -16.047 11.424 -4.789 1.00 0.00 H new ATOM 0 HG LEU A 118 -17.063 8.571 -5.282 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -19.229 9.319 -4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -18.228 9.389 -3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -18.612 10.883 -4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -18.090 9.491 -7.093 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -17.397 11.086 -6.712 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -16.325 9.721 -7.108 1.00 0.00 H new ATOM 1268 N GLY A 119 -13.801 11.921 -4.462 1.00 0.00 N ATOM 1269 CA GLY A 119 -12.787 12.938 -4.035 1.00 0.00 C ATOM 1270 C GLY A 119 -12.212 12.405 -2.715 1.00 0.00 C ATOM 1271 O GLY A 119 -11.058 12.604 -2.389 1.00 0.00 O ATOM 0 H GLY A 119 -14.686 12.318 -4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -12.006 13.054 -4.786 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -13.245 13.917 -3.898 1.00 0.00 H new ATOM 1275 N ASP A 120 -13.117 11.739 -2.033 1.00 0.00 N ATOM 1276 CA ASP A 120 -12.937 11.068 -0.726 1.00 0.00 C ATOM 1277 C ASP A 120 -11.479 10.751 -0.430 1.00 0.00 C ATOM 1278 O ASP A 120 -10.784 10.251 -1.297 1.00 0.00 O ATOM 1279 CB ASP A 120 -13.872 9.878 -0.910 1.00 0.00 C ATOM 1280 CG ASP A 120 -13.399 8.467 -0.457 1.00 0.00 C ATOM 1281 OD1 ASP A 120 -12.282 8.085 -0.764 1.00 0.00 O ATOM 1282 OD2 ASP A 120 -14.217 7.825 0.176 1.00 0.00 O ATOM 0 H ASP A 120 -14.069 11.634 -2.384 1.00 0.00 H new ATOM 0 HA ASP A 120 -13.182 11.654 0.160 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -14.797 10.101 -0.378 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -14.121 9.817 -1.969 1.00 0.00 H new ATOM 1287 N ILE A 121 -11.048 11.037 0.771 1.00 0.00 N ATOM 1288 CA ILE A 121 -9.602 10.727 1.076 1.00 0.00 C ATOM 1289 C ILE A 121 -9.135 9.629 2.072 1.00 0.00 C ATOM 1290 O ILE A 121 -9.433 9.573 3.263 1.00 0.00 O ATOM 1291 CB ILE A 121 -8.971 12.066 1.485 1.00 0.00 C ATOM 1292 CG1 ILE A 121 -8.714 12.971 0.262 1.00 0.00 C ATOM 1293 CG2 ILE A 121 -7.673 11.903 2.299 1.00 0.00 C ATOM 1294 CD1 ILE A 121 -7.631 12.395 -0.678 1.00 0.00 C ATOM 0 H ILE A 121 -11.595 11.451 1.526 1.00 0.00 H new ATOM 0 HA ILE A 121 -9.280 10.242 0.154 1.00 0.00 H new ATOM 0 HB ILE A 121 -9.703 12.545 2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.643 13.099 -0.294 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -8.407 13.960 0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -7.279 12.886 2.556 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -7.884 11.347 3.212 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -6.937 11.361 1.705 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -7.487 13.068 -1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -6.693 12.292 -0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -7.948 11.418 -1.043 1.00 0.00 H new ATOM 1306 N LEU A 122 -8.390 8.731 1.471 1.00 0.00 N ATOM 1307 CA LEU A 122 -7.801 7.600 2.255 1.00 0.00 C ATOM 1308 C LEU A 122 -6.419 8.116 2.497 1.00 0.00 C ATOM 1309 O LEU A 122 -6.124 9.169 1.977 1.00 0.00 O ATOM 1310 CB LEU A 122 -7.539 6.304 1.483 1.00 0.00 C ATOM 1311 CG LEU A 122 -8.713 5.436 1.332 1.00 0.00 C ATOM 1312 CD1 LEU A 122 -9.683 6.171 0.482 1.00 0.00 C ATOM 1313 CD2 LEU A 122 -8.142 4.281 0.521 1.00 0.00 C ATOM 0 H LEU A 122 -8.166 8.733 0.476 1.00 0.00 H new ATOM 0 HA LEU A 122 -8.470 7.358 3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -7.160 6.556 0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -6.753 5.746 1.992 1.00 0.00 H new ATOM 0 HG LEU A 122 -9.196 5.132 2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -10.577 5.563 0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -9.955 7.108 0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -9.231 6.382 -0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -8.925 3.546 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -7.761 4.657 -0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -7.330 3.812 1.077 1.00 0.00 H new ATOM 1325 N GLY A 123 -5.701 7.329 3.263 1.00 0.00 N ATOM 1326 CA GLY A 123 -4.281 7.528 3.688 1.00 0.00 C ATOM 1327 C GLY A 123 -3.977 6.054 3.972 1.00 0.00 C ATOM 1328 O GLY A 123 -4.781 5.488 4.672 1.00 0.00 O ATOM 0 H GLY A 123 -6.092 6.468 3.646 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.652 7.956 2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -4.178 8.167 4.565 1.00 0.00 H new ATOM 1332 N ALA A 124 -2.957 5.363 3.529 1.00 0.00 N ATOM 1333 CA ALA A 124 -2.986 3.918 4.005 1.00 0.00 C ATOM 1334 C ALA A 124 -1.625 3.557 4.221 1.00 0.00 C ATOM 1335 O ALA A 124 -0.879 4.493 4.267 1.00 0.00 O ATOM 1336 CB ALA A 124 -3.563 3.175 2.948 1.00 0.00 C ATOM 0 H ALA A 124 -2.188 5.670 2.933 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.556 3.746 4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.613 2.123 3.228 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.569 3.546 2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.953 3.283 2.051 1.00 0.00 H new ATOM 1342 N LYS A 125 -1.371 2.289 4.385 1.00 0.00 N ATOM 1343 CA LYS A 125 0.021 1.862 4.596 1.00 0.00 C ATOM 1344 C LYS A 125 0.357 0.416 4.315 1.00 0.00 C ATOM 1345 O LYS A 125 -0.409 -0.458 4.671 1.00 0.00 O ATOM 1346 CB LYS A 125 0.352 2.220 6.017 1.00 0.00 C ATOM 1347 CG LYS A 125 1.629 1.547 6.528 1.00 0.00 C ATOM 1348 CD LYS A 125 1.953 2.176 7.891 1.00 0.00 C ATOM 1349 CE LYS A 125 3.275 1.623 8.411 1.00 0.00 C ATOM 1350 NZ LYS A 125 3.548 2.187 9.763 1.00 0.00 N ATOM 0 H LYS A 125 -2.066 1.543 4.381 1.00 0.00 H new ATOM 0 HA LYS A 125 0.628 2.379 3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 125 0.463 3.301 6.096 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -0.482 1.937 6.660 1.00 0.00 H new ATOM 0 HG2 LYS A 125 1.486 0.471 6.624 1.00 0.00 H new ATOM 0 HG3 LYS A 125 2.451 1.698 5.828 1.00 0.00 H new ATOM 0 HD2 LYS A 125 2.013 3.260 7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 125 1.154 1.962 8.600 1.00 0.00 H new ATOM 0 HE2 LYS A 125 3.233 0.535 8.460 1.00 0.00 H new ATOM 0 HE3 LYS A 125 4.084 1.880 7.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 4.450 1.811 10.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 3.605 3.224 9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 2.780 1.920 10.412 1.00 0.00 H new ATOM 1364 N GLY A 126 1.496 0.224 3.693 1.00 0.00 N ATOM 1365 CA GLY A 126 1.936 -1.151 3.374 1.00 0.00 C ATOM 1366 C GLY A 126 3.429 -1.084 3.089 1.00 0.00 C ATOM 1367 O GLY A 126 3.932 -0.028 2.755 1.00 0.00 O ATOM 0 H GLY A 126 2.132 0.965 3.397 1.00 0.00 H new ATOM 0 HA2 GLY A 126 1.732 -1.824 4.206 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.395 -1.539 2.511 1.00 0.00 H new ATOM 1371 N LYS A 127 4.122 -2.185 3.210 1.00 0.00 N ATOM 1372 CA LYS A 127 5.567 -2.078 2.924 1.00 0.00 C ATOM 1373 C LYS A 127 5.858 -2.442 1.515 1.00 0.00 C ATOM 1374 O LYS A 127 4.985 -2.844 0.777 1.00 0.00 O ATOM 1375 CB LYS A 127 6.313 -2.970 3.807 1.00 0.00 C ATOM 1376 CG LYS A 127 6.533 -4.321 3.219 1.00 0.00 C ATOM 1377 CD LYS A 127 7.142 -5.166 4.340 1.00 0.00 C ATOM 1378 CE LYS A 127 7.275 -6.617 3.886 1.00 0.00 C ATOM 1379 NZ LYS A 127 7.986 -7.388 4.943 1.00 0.00 N ATOM 0 H LYS A 127 3.769 -3.103 3.480 1.00 0.00 H new ATOM 0 HA LYS A 127 5.869 -1.044 3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 127 7.278 -2.519 4.039 1.00 0.00 H new ATOM 0 HB3 LYS A 127 5.775 -3.073 4.749 1.00 0.00 H new ATOM 0 HG2 LYS A 127 5.596 -4.753 2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 127 7.202 -4.270 2.360 1.00 0.00 H new ATOM 0 HD2 LYS A 127 8.120 -4.771 4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 127 6.515 -5.111 5.230 1.00 0.00 H new ATOM 0 HE2 LYS A 127 6.290 -7.047 3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 127 7.825 -6.669 2.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 8.082 -8.379 4.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 8.930 -6.979 5.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 7.443 -7.345 5.829 1.00 0.00 H new ATOM 1393 N LEU A 128 7.095 -2.302 1.154 1.00 0.00 N ATOM 1394 CA LEU A 128 7.462 -2.623 -0.184 1.00 0.00 C ATOM 1395 C LEU A 128 7.756 -4.096 -0.317 1.00 0.00 C ATOM 1396 O LEU A 128 8.358 -4.745 0.514 1.00 0.00 O ATOM 1397 CB LEU A 128 8.563 -1.655 -0.298 1.00 0.00 C ATOM 1398 CG LEU A 128 9.390 -1.808 -1.434 1.00 0.00 C ATOM 1399 CD1 LEU A 128 9.913 -0.438 -1.810 1.00 0.00 C ATOM 1400 CD2 LEU A 128 10.180 -3.130 -1.483 1.00 0.00 C ATOM 0 H LEU A 128 7.852 -1.974 1.754 1.00 0.00 H new ATOM 0 HA LEU A 128 6.742 -2.525 -0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 128 8.141 -0.650 -0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 128 9.184 -1.730 0.595 1.00 0.00 H new ATOM 0 HG LEU A 128 8.902 -2.085 -2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 128 10.557 -0.522 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 128 9.075 0.221 -2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 128 10.484 -0.026 -0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 128 10.786 -3.159 -2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 128 10.829 -3.199 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 128 9.485 -3.969 -1.485 1.00 0.00 H new ATOM 1412 N PHE A 129 7.282 -4.554 -1.432 1.00 0.00 N ATOM 1413 CA PHE A 129 7.451 -5.964 -1.809 1.00 0.00 C ATOM 1414 C PHE A 129 6.926 -6.011 -3.216 1.00 0.00 C ATOM 1415 O PHE A 129 6.328 -5.077 -3.733 1.00 0.00 O ATOM 1416 CB PHE A 129 6.618 -6.941 -0.974 1.00 0.00 C ATOM 1417 CG PHE A 129 5.205 -7.025 -1.536 1.00 0.00 C ATOM 1418 CD1 PHE A 129 4.447 -5.888 -1.736 1.00 0.00 C ATOM 1419 CD2 PHE A 129 4.694 -8.267 -1.878 1.00 0.00 C ATOM 1420 CE1 PHE A 129 3.191 -6.017 -2.291 1.00 0.00 C ATOM 1421 CE2 PHE A 129 3.434 -8.383 -2.428 1.00 0.00 C ATOM 1422 CZ PHE A 129 2.694 -7.258 -2.631 1.00 0.00 C ATOM 0 H PHE A 129 6.772 -3.991 -2.112 1.00 0.00 H new ATOM 0 HA PHE A 129 8.490 -6.263 -1.670 1.00 0.00 H new ATOM 0 HB2 PHE A 129 7.082 -7.927 -0.982 1.00 0.00 H new ATOM 0 HB3 PHE A 129 6.587 -6.612 0.065 1.00 0.00 H new ATOM 0 HD1 PHE A 129 4.831 -4.916 -1.463 1.00 0.00 H new ATOM 0 HD2 PHE A 129 5.288 -9.153 -1.712 1.00 0.00 H new ATOM 0 HE1 PHE A 129 2.590 -5.136 -2.461 1.00 0.00 H new ATOM 0 HE2 PHE A 129 3.040 -9.353 -2.694 1.00 0.00 H new ATOM 0 HZ PHE A 129 1.707 -7.338 -3.063 1.00 0.00 H new ATOM 1511 N GLU A 135 10.660 -5.742 -4.176 1.00 0.00 N ATOM 1512 CA GLU A 135 10.791 -4.363 -4.697 1.00 0.00 C ATOM 1513 C GLU A 135 9.434 -3.745 -4.538 1.00 0.00 C ATOM 1514 O GLU A 135 8.628 -4.124 -3.729 1.00 0.00 O ATOM 1515 CB GLU A 135 11.148 -4.476 -6.121 1.00 0.00 C ATOM 1516 CG GLU A 135 11.879 -3.249 -6.658 1.00 0.00 C ATOM 1517 CD GLU A 135 13.373 -3.415 -6.424 1.00 0.00 C ATOM 1518 OE1 GLU A 135 13.751 -4.117 -5.500 1.00 0.00 O ATOM 1519 OE2 GLU A 135 14.047 -2.795 -7.223 1.00 0.00 O ATOM 0 HA GLU A 135 11.545 -3.764 -4.186 1.00 0.00 H new ATOM 0 HB2 GLU A 135 11.776 -5.356 -6.263 1.00 0.00 H new ATOM 0 HB3 GLU A 135 10.241 -4.635 -6.705 1.00 0.00 H new ATOM 0 HG2 GLU A 135 11.677 -3.127 -7.722 1.00 0.00 H new ATOM 0 HG3 GLU A 135 11.518 -2.349 -6.160 1.00 0.00 H new ATOM 1526 N LEU A 136 9.242 -2.767 -5.341 1.00 0.00 N ATOM 1527 CA LEU A 136 8.058 -1.995 -5.407 1.00 0.00 C ATOM 1528 C LEU A 136 6.632 -2.213 -5.985 1.00 0.00 C ATOM 1529 O LEU A 136 6.315 -2.077 -7.150 1.00 0.00 O ATOM 1530 CB LEU A 136 8.716 -0.798 -5.900 1.00 0.00 C ATOM 1531 CG LEU A 136 7.802 0.272 -5.924 1.00 0.00 C ATOM 1532 CD1 LEU A 136 7.345 0.453 -4.501 1.00 0.00 C ATOM 1533 CD2 LEU A 136 8.623 1.375 -6.494 1.00 0.00 C ATOM 0 H LEU A 136 9.950 -2.465 -6.011 1.00 0.00 H new ATOM 0 HA LEU A 136 7.534 -2.190 -4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 136 9.565 -0.549 -5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 136 9.110 -0.974 -6.901 1.00 0.00 H new ATOM 0 HG LEU A 136 6.890 0.169 -6.513 1.00 0.00 H new ATOM 0 HD11 LEU A 136 6.629 1.274 -4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 136 6.871 -0.464 -4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 136 8.204 0.681 -3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 136 8.018 2.279 -6.566 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.480 1.562 -5.847 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.973 1.092 -7.487 1.00 0.00 H new ATOM 1545 N SER A 137 5.857 -2.589 -5.025 1.00 0.00 N ATOM 1546 CA SER A 137 4.414 -2.866 -5.080 1.00 0.00 C ATOM 1547 C SER A 137 4.104 -2.699 -3.607 1.00 0.00 C ATOM 1548 O SER A 137 4.973 -2.970 -2.802 1.00 0.00 O ATOM 1549 CB SER A 137 4.208 -4.227 -5.629 1.00 0.00 C ATOM 1550 OG SER A 137 3.093 -4.766 -4.937 1.00 0.00 O ATOM 0 H SER A 137 6.226 -2.731 -4.085 1.00 0.00 H new ATOM 0 HA SER A 137 3.779 -2.249 -5.716 1.00 0.00 H new ATOM 0 HB2 SER A 137 4.020 -4.190 -6.702 1.00 0.00 H new ATOM 0 HB3 SER A 137 5.094 -4.845 -5.482 1.00 0.00 H new ATOM 0 HG SER A 137 3.398 -5.456 -4.312 1.00 0.00 H new ATOM 1556 N ILE A 138 2.933 -2.280 -3.220 1.00 0.00 N ATOM 1557 CA ILE A 138 2.748 -2.145 -1.748 1.00 0.00 C ATOM 1558 C ILE A 138 1.977 -3.271 -1.153 1.00 0.00 C ATOM 1559 O ILE A 138 1.087 -3.818 -1.747 1.00 0.00 O ATOM 1560 CB ILE A 138 2.049 -0.823 -1.475 1.00 0.00 C ATOM 1561 CG1 ILE A 138 3.146 0.202 -1.540 1.00 0.00 C ATOM 1562 CG2 ILE A 138 1.469 -0.827 -0.047 1.00 0.00 C ATOM 1563 CD1 ILE A 138 2.547 1.620 -1.596 1.00 0.00 C ATOM 0 H ILE A 138 2.140 -2.038 -3.814 1.00 0.00 H new ATOM 0 HA ILE A 138 3.731 -2.171 -1.277 1.00 0.00 H new ATOM 0 HB ILE A 138 1.237 -0.633 -2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 138 3.794 0.107 -0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 138 3.766 0.026 -2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 138 0.969 0.122 0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.752 -1.642 0.052 1.00 0.00 H new ATOM 0 HG23 ILE A 138 2.276 -0.964 0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 138 3.352 2.353 -1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 138 1.918 1.715 -2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 138 1.947 1.797 -0.704 1.00 0.00 H new ATOM 1575 N HIS A 139 2.365 -3.575 0.040 1.00 0.00 N ATOM 1576 CA HIS A 139 1.707 -4.679 0.783 1.00 0.00 C ATOM 1577 C HIS A 139 1.100 -4.047 1.999 1.00 0.00 C ATOM 1578 O HIS A 139 1.706 -3.938 3.045 1.00 0.00 O ATOM 1579 CB HIS A 139 2.765 -5.733 1.114 1.00 0.00 C ATOM 1580 CG HIS A 139 2.166 -6.856 1.982 1.00 0.00 C ATOM 1581 ND1 HIS A 139 2.549 -8.087 1.911 1.00 0.00 N ATOM 1582 CD2 HIS A 139 1.175 -6.878 2.963 1.00 0.00 C ATOM 1583 CE1 HIS A 139 1.877 -8.810 2.750 1.00 0.00 C ATOM 1584 NE2 HIS A 139 1.009 -8.100 3.426 1.00 0.00 N ATOM 0 H HIS A 139 3.117 -3.104 0.543 1.00 0.00 H new ATOM 0 HA HIS A 139 0.926 -5.189 0.219 1.00 0.00 H new ATOM 0 HB2 HIS A 139 3.166 -6.154 0.192 1.00 0.00 H new ATOM 0 HB3 HIS A 139 3.598 -5.266 1.640 1.00 0.00 H new ATOM 0 HD1 HIS A 139 3.274 -8.439 1.286 1.00 0.00 H new ATOM 0 HD2 HIS A 139 0.621 -6.013 3.297 1.00 0.00 H new ATOM 0 HE1 HIS A 139 2.016 -9.873 2.877 1.00 0.00 H new ATOM 1592 N CYS A 140 -0.116 -3.649 1.737 1.00 0.00 N ATOM 1593 CA CYS A 140 -0.968 -2.983 2.745 1.00 0.00 C ATOM 1594 C CYS A 140 -1.421 -3.844 3.917 1.00 0.00 C ATOM 1595 O CYS A 140 -2.098 -4.866 3.837 1.00 0.00 O ATOM 1596 CB CYS A 140 -2.198 -2.406 2.056 1.00 0.00 C ATOM 1597 SG CYS A 140 -3.321 -1.459 3.113 1.00 0.00 S ATOM 0 H CYS A 140 -0.563 -3.767 0.828 1.00 0.00 H new ATOM 0 HA CYS A 140 -0.331 -2.215 3.185 1.00 0.00 H new ATOM 0 HB2 CYS A 140 -1.866 -1.762 1.241 1.00 0.00 H new ATOM 0 HB3 CYS A 140 -2.758 -3.226 1.606 1.00 0.00 H new ATOM 0 HG CYS A 140 -2.633 -0.806 4.002 1.00 0.00 H new ATOM 1603 N THR A 141 -0.955 -3.247 4.979 1.00 0.00 N ATOM 1604 CA THR A 141 -1.137 -3.716 6.357 1.00 0.00 C ATOM 1605 C THR A 141 -2.270 -2.944 7.032 1.00 0.00 C ATOM 1606 O THR A 141 -3.079 -3.566 7.691 1.00 0.00 O ATOM 1607 CB THR A 141 0.156 -3.506 7.103 1.00 0.00 C ATOM 1608 OG1 THR A 141 0.472 -2.136 6.905 1.00 0.00 O ATOM 1609 CG2 THR A 141 1.218 -4.286 6.371 1.00 0.00 C ATOM 0 H THR A 141 -0.414 -2.384 4.924 1.00 0.00 H new ATOM 0 HA THR A 141 -1.401 -4.774 6.360 1.00 0.00 H new ATOM 0 HB THR A 141 0.091 -3.795 8.152 1.00 0.00 H new ATOM 0 HG1 THR A 141 1.309 -1.923 7.368 1.00 0.00 H new ATOM 0 HG21 THR A 141 2.175 -4.162 6.878 1.00 0.00 H new ATOM 0 HG22 THR A 141 0.949 -5.342 6.357 1.00 0.00 H new ATOM 0 HG23 THR A 141 1.299 -3.918 5.348 1.00 0.00 H new ATOM 1617 N GLU A 142 -2.353 -1.635 6.896 1.00 0.00 N ATOM 1618 CA GLU A 142 -3.491 -0.996 7.590 1.00 0.00 C ATOM 1619 C GLU A 142 -3.833 0.229 6.791 1.00 0.00 C ATOM 1620 O GLU A 142 -2.991 0.767 6.099 1.00 0.00 O ATOM 1621 CB GLU A 142 -3.065 -0.654 9.040 1.00 0.00 C ATOM 1622 CG GLU A 142 -2.000 0.458 9.116 1.00 0.00 C ATOM 1623 CD GLU A 142 -2.640 1.834 8.897 1.00 0.00 C ATOM 1624 OE1 GLU A 142 -3.655 2.070 9.532 1.00 0.00 O ATOM 1625 OE2 GLU A 142 -2.079 2.579 8.112 1.00 0.00 O ATOM 0 H GLU A 142 -1.723 -1.029 6.370 1.00 0.00 H new ATOM 0 HA GLU A 142 -4.366 -1.643 7.660 1.00 0.00 H new ATOM 0 HB2 GLU A 142 -3.944 -0.345 9.606 1.00 0.00 H new ATOM 0 HB3 GLU A 142 -2.677 -1.553 9.519 1.00 0.00 H new ATOM 0 HG2 GLU A 142 -1.507 0.431 10.088 1.00 0.00 H new ATOM 0 HG3 GLU A 142 -1.231 0.285 8.363 1.00 0.00 H new ATOM 1632 N LEU A 143 -5.064 0.629 6.910 1.00 0.00 N ATOM 1633 CA LEU A 143 -5.492 1.827 6.158 1.00 0.00 C ATOM 1634 C LEU A 143 -5.913 2.908 7.134 1.00 0.00 C ATOM 1635 O LEU A 143 -6.301 2.659 8.259 1.00 0.00 O ATOM 1636 CB LEU A 143 -6.680 1.526 5.264 1.00 0.00 C ATOM 1637 CG LEU A 143 -6.381 0.520 4.133 1.00 0.00 C ATOM 1638 CD1 LEU A 143 -6.077 -0.882 4.660 1.00 0.00 C ATOM 1639 CD2 LEU A 143 -7.622 0.404 3.257 1.00 0.00 C ATOM 0 H LEU A 143 -5.779 0.185 7.486 1.00 0.00 H new ATOM 0 HA LEU A 143 -4.651 2.150 5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -7.492 1.136 5.877 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -7.034 2.458 4.822 1.00 0.00 H new ATOM 0 HG LEU A 143 -5.509 0.888 3.592 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -5.874 -1.549 3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -5.205 -0.844 5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -6.935 -1.254 5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -7.433 -0.303 2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -8.460 0.052 3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -7.862 1.380 2.835 1.00 0.00 H new ATOM 1651 N ARG A 144 -5.812 4.090 6.619 1.00 0.00 N ATOM 1652 CA ARG A 144 -6.167 5.323 7.377 1.00 0.00 C ATOM 1653 C ARG A 144 -7.087 6.159 6.487 1.00 0.00 C ATOM 1654 O ARG A 144 -6.643 6.999 5.733 1.00 0.00 O ATOM 1655 CB ARG A 144 -4.890 6.128 7.718 1.00 0.00 C ATOM 1656 CG ARG A 144 -3.873 5.285 8.520 1.00 0.00 C ATOM 1657 CD ARG A 144 -4.186 5.231 10.033 1.00 0.00 C ATOM 1658 NE ARG A 144 -5.528 4.617 10.282 1.00 0.00 N ATOM 1659 CZ ARG A 144 -6.468 5.263 10.927 1.00 0.00 C ATOM 1660 NH1 ARG A 144 -6.187 6.317 11.651 1.00 0.00 N ATOM 1661 NH2 ARG A 144 -7.694 4.825 10.833 1.00 0.00 N ATOM 0 H ARG A 144 -5.486 4.265 5.668 1.00 0.00 H new ATOM 0 HA ARG A 144 -6.663 5.065 8.313 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -4.425 6.478 6.796 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -5.162 7.013 8.294 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -3.858 4.270 8.122 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -2.875 5.698 8.377 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -3.417 4.654 10.547 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -4.160 6.238 10.449 1.00 0.00 H new ATOM 0 HE ARG A 144 -5.715 3.674 9.942 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -5.224 6.647 11.719 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -6.931 6.808 12.147 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -7.899 4.000 10.269 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -8.447 5.307 11.324 1.00 0.00 H new ATOM 1675 N LEU A 145 -8.361 5.915 6.595 1.00 0.00 N ATOM 1676 CA LEU A 145 -9.341 6.634 5.810 1.00 0.00 C ATOM 1677 C LEU A 145 -9.617 8.088 6.176 1.00 0.00 C ATOM 1678 O LEU A 145 -8.995 8.695 7.027 1.00 0.00 O ATOM 1679 CB LEU A 145 -10.554 5.687 5.912 1.00 0.00 C ATOM 1680 CG LEU A 145 -10.546 4.677 4.823 1.00 0.00 C ATOM 1681 CD1 LEU A 145 -10.905 5.473 3.698 1.00 0.00 C ATOM 1682 CD2 LEU A 145 -9.247 3.935 4.493 1.00 0.00 C ATOM 0 H LEU A 145 -8.756 5.217 7.225 1.00 0.00 H new ATOM 0 HA LEU A 145 -8.994 6.822 4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -10.543 5.183 6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -11.476 6.267 5.865 1.00 0.00 H new ATOM 0 HG LEU A 145 -11.192 3.851 5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -10.939 4.848 2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -11.885 5.919 3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -10.166 6.262 3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -9.424 3.237 3.674 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -8.482 4.654 4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -8.909 3.385 5.371 1.00 0.00 H new ATOM 1694 N LEU A 146 -10.593 8.568 5.468 1.00 0.00 N ATOM 1695 CA LEU A 146 -11.181 9.839 5.446 1.00 0.00 C ATOM 1696 C LEU A 146 -11.827 10.733 6.409 1.00 0.00 C ATOM 1697 O LEU A 146 -12.292 10.606 7.523 1.00 0.00 O ATOM 1698 CB LEU A 146 -12.292 9.808 4.422 1.00 0.00 C ATOM 1699 CG LEU A 146 -12.127 9.621 3.023 1.00 0.00 C ATOM 1700 CD1 LEU A 146 -11.725 8.226 2.609 1.00 0.00 C ATOM 1701 CD2 LEU A 146 -13.533 9.682 2.629 1.00 0.00 C ATOM 0 H LEU A 146 -11.055 7.962 4.790 1.00 0.00 H new ATOM 0 HA LEU A 146 -10.176 10.261 5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -12.972 9.021 4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -12.823 10.753 4.533 1.00 0.00 H new ATOM 0 HG LEU A 146 -11.384 10.308 2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -11.624 8.183 1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -10.772 7.969 3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -12.488 7.517 2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -13.614 9.554 1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -14.086 8.888 3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -13.949 10.649 2.912 1.00 0.00 H new ATOM 1713 N THR A 147 -11.673 11.673 5.535 1.00 0.00 N ATOM 1714 CA THR A 147 -12.072 13.088 5.586 1.00 0.00 C ATOM 1715 C THR A 147 -12.893 13.217 4.315 1.00 0.00 C ATOM 1716 O THR A 147 -12.790 12.439 3.374 1.00 0.00 O ATOM 1717 CB THR A 147 -10.954 14.093 5.495 1.00 0.00 C ATOM 1718 OG1 THR A 147 -11.613 15.259 5.961 1.00 0.00 O ATOM 1719 CG2 THR A 147 -10.587 14.549 4.091 1.00 0.00 C ATOM 0 H THR A 147 -11.210 11.466 4.650 1.00 0.00 H new ATOM 0 HA THR A 147 -12.556 13.302 6.539 1.00 0.00 H new ATOM 0 HB THR A 147 -10.072 13.678 5.983 1.00 0.00 H new ATOM 0 HG1 THR A 147 -10.987 16.013 5.957 1.00 0.00 H new ATOM 0 HG21 THR A 147 -9.772 15.271 4.144 1.00 0.00 H new ATOM 0 HG22 THR A 147 -10.272 13.689 3.500 1.00 0.00 H new ATOM 0 HG23 THR A 147 -11.454 15.014 3.621 1.00 0.00 H new ATOM 1727 N LYS A 148 -13.642 14.255 4.333 1.00 0.00 N ATOM 1728 CA LYS A 148 -14.520 14.538 3.178 1.00 0.00 C ATOM 1729 C LYS A 148 -13.787 15.485 2.244 1.00 0.00 C ATOM 1730 O LYS A 148 -13.585 16.642 2.552 1.00 0.00 O ATOM 1731 CB LYS A 148 -15.775 15.102 3.774 1.00 0.00 C ATOM 1732 CG LYS A 148 -16.411 13.937 4.557 1.00 0.00 C ATOM 1733 CD LYS A 148 -17.628 14.417 5.342 1.00 0.00 C ATOM 1734 CE LYS A 148 -18.213 13.193 6.078 1.00 0.00 C ATOM 1735 NZ LYS A 148 -19.588 12.903 5.580 1.00 0.00 N ATOM 0 H LYS A 148 -13.691 14.929 5.097 1.00 0.00 H new ATOM 0 HA LYS A 148 -14.778 13.669 2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -15.555 15.944 4.431 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -16.448 15.469 2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -16.706 13.146 3.867 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -15.678 13.508 5.240 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -17.345 15.193 6.053 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -18.369 14.853 4.672 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -17.572 12.325 5.923 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -18.239 13.383 7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -19.972 12.077 6.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -20.200 13.727 5.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -19.553 12.702 4.560 1.00 0.00 H new ATOM 1749 N ALA A 149 -13.405 14.968 1.109 1.00 0.00 N ATOM 1750 CA ALA A 149 -12.675 15.833 0.149 1.00 0.00 C ATOM 1751 C ALA A 149 -13.585 16.820 -0.582 1.00 0.00 C ATOM 1752 O ALA A 149 -14.776 16.761 -0.324 1.00 0.00 O ATOM 1753 CB ALA A 149 -12.006 14.909 -0.812 1.00 0.00 C ATOM 1754 OXT ALA A 149 -13.023 17.576 -1.356 1.00 0.00 O ATOM 0 H ALA A 149 -13.563 14.005 0.811 1.00 0.00 H new ATOM 0 HA ALA A 149 -11.958 16.457 0.683 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -11.449 15.490 -1.548 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -11.321 14.256 -0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -12.758 14.305 -1.320 1.00 0.00 H new