USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 811 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 72 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 88 HIS : no HD1:sc= -0.0905 X(o=-0.091,f=0.13) USER MOD Set 2.1: A 29 MET CE :methyl 180:sc= -0.47 (180deg=-0.47) USER MOD Set 2.2: A 70 SER OG : rot 87:sc= 1.27 USER MOD Single : A 1 MET CE :methyl -137:sc= -5.09! (180deg=-7.54!) USER MOD Single : A 4 LYS NZ :NH3+ -140:sc= 1.27 (180deg=-0.188) USER MOD Single : A 7 ASN : amide:sc= 0.768 K(o=0.77,f=-0.02) USER MOD Single : A 8 CYS SG : rot 80:sc= 0.318 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -5 GLY N :NH3+ -99:sc= 0.0762 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -2.83! K(o=-2.8!,f=-0.25) USER MOD Single : A 12 HIS : no HD1:sc= -3.02 K(o=-3,f=-2.1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 170:sc= -0.0928 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 169:sc= -4.67! (180deg=-4.89!) USER MOD Single : A 28 HIS : no HD1:sc= 0.562 K(o=0.56,f=-6.3!) USER MOD Single : A 31 SER OG : rot 81:sc= 1.18 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0811 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.0341 X(o=0.034,f=-0.1) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0189 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 51 GLN : amide:sc= -0.0394 K(o=-0.039,f=-2.2!) USER MOD Single : A 55 MET CE :methyl -134:sc= 0 (180deg=-1.5!) USER MOD Single : A 58 LYS NZ :NH3+ -109:sc= -0.652 (180deg=-2.59!) USER MOD Single : A 59 MET CE :methyl -156:sc= -8.91! (180deg=-10.6!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -132:sc= 0.884 (180deg=-1.75!) USER MOD Single : A 65 ASN : amide:sc= 0.702 K(o=0.7,f=-3.6!) USER MOD Single : A 67 SER OG : rot 69:sc= 0.734 USER MOD Single : A 68 TYR OH : rot 113:sc= -4.27! USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 80 TYR OH : rot 30:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 2.745 -19.710 -4.722 1.00 0.00 N ATOM 2 CA GLY A -5 1.812 -18.581 -4.931 1.00 0.00 C ATOM 3 C GLY A -5 2.481 -17.432 -5.659 1.00 0.00 C ATOM 4 O GLY A -5 3.711 -17.321 -5.637 1.00 0.00 O ATOM 0 H1 GLY A -5 2.583 -20.434 -5.451 1.00 0.00 H new ATOM 0 H2 GLY A -5 3.725 -19.367 -4.787 1.00 0.00 H new ATOM 0 H3 GLY A -5 2.584 -20.124 -3.781 1.00 0.00 H new ATOM 0 HA2 GLY A -5 0.949 -18.922 -5.503 1.00 0.00 H new ATOM 0 HA3 GLY A -5 1.438 -18.234 -3.968 1.00 0.00 H new ATOM 10 N PRO A -4 1.709 -16.562 -6.329 1.00 0.00 N ATOM 11 CA PRO A -4 2.255 -15.421 -7.070 1.00 0.00 C ATOM 12 C PRO A -4 2.820 -14.349 -6.134 1.00 0.00 C ATOM 13 O PRO A -4 2.086 -13.486 -5.651 1.00 0.00 O ATOM 14 CB PRO A -4 1.048 -14.875 -7.853 1.00 0.00 C ATOM 15 CG PRO A -4 -0.019 -15.914 -7.726 1.00 0.00 C ATOM 16 CD PRO A -4 0.246 -16.628 -6.434 1.00 0.00 C ATOM 0 HA PRO A -4 3.086 -15.713 -7.712 1.00 0.00 H new ATOM 0 HB2 PRO A -4 0.716 -13.920 -7.445 1.00 0.00 H new ATOM 0 HB3 PRO A -4 1.305 -14.703 -8.898 1.00 0.00 H new ATOM 0 HG2 PRO A -4 -1.009 -15.458 -7.723 1.00 0.00 H new ATOM 0 HG3 PRO A -4 0.010 -16.607 -8.567 1.00 0.00 H new ATOM 0 HD2 PRO A -4 -0.244 -16.139 -5.592 1.00 0.00 H new ATOM 0 HD3 PRO A -4 -0.113 -17.657 -6.458 1.00 0.00 H new ATOM 24 N LEU A -3 4.121 -14.421 -5.877 1.00 0.00 N ATOM 25 CA LEU A -3 4.788 -13.467 -4.996 1.00 0.00 C ATOM 26 C LEU A -3 5.789 -12.625 -5.782 1.00 0.00 C ATOM 27 O LEU A -3 6.642 -13.163 -6.494 1.00 0.00 O ATOM 28 CB LEU A -3 5.508 -14.197 -3.860 1.00 0.00 C ATOM 29 CG LEU A -3 4.613 -15.038 -2.948 1.00 0.00 C ATOM 30 CD1 LEU A -3 5.451 -15.760 -1.903 1.00 0.00 C ATOM 31 CD2 LEU A -3 3.562 -14.164 -2.279 1.00 0.00 C ATOM 0 H LEU A -3 4.738 -15.133 -6.268 1.00 0.00 H new ATOM 0 HA LEU A -3 4.029 -12.811 -4.570 1.00 0.00 H new ATOM 0 HB2 LEU A -3 6.269 -14.846 -4.293 1.00 0.00 H new ATOM 0 HB3 LEU A -3 6.029 -13.459 -3.249 1.00 0.00 H new ATOM 0 HG LEU A -3 4.102 -15.784 -3.557 1.00 0.00 H new ATOM 0 HD11 LEU A -3 4.800 -16.354 -1.262 1.00 0.00 H new ATOM 0 HD12 LEU A -3 6.167 -16.415 -2.400 1.00 0.00 H new ATOM 0 HD13 LEU A -3 5.987 -15.029 -1.298 1.00 0.00 H new ATOM 0 HD21 LEU A -3 2.934 -14.779 -1.634 1.00 0.00 H new ATOM 0 HD22 LEU A -3 4.054 -13.396 -1.682 1.00 0.00 H new ATOM 0 HD23 LEU A -3 2.944 -13.690 -3.042 1.00 0.00 H new ATOM 43 N GLY A -2 5.675 -11.307 -5.660 1.00 0.00 N ATOM 44 CA GLY A -2 6.569 -10.415 -6.375 1.00 0.00 C ATOM 45 C GLY A -2 6.348 -10.492 -7.871 1.00 0.00 C ATOM 46 O GLY A -2 7.228 -10.918 -8.621 1.00 0.00 O ATOM 0 H GLY A -2 4.979 -10.840 -5.078 1.00 0.00 H new ATOM 0 HA2 GLY A -2 6.412 -9.391 -6.035 1.00 0.00 H new ATOM 0 HA3 GLY A -2 7.603 -10.673 -6.145 1.00 0.00 H new ATOM 50 N SER A -1 5.153 -10.115 -8.297 1.00 0.00 N ATOM 51 CA SER A -1 4.785 -10.169 -9.701 1.00 0.00 C ATOM 52 C SER A -1 4.615 -8.771 -10.294 1.00 0.00 C ATOM 53 O SER A -1 3.693 -8.523 -11.060 1.00 0.00 O ATOM 54 CB SER A -1 3.480 -10.949 -9.855 1.00 0.00 C ATOM 55 OG SER A -1 3.583 -12.258 -9.311 1.00 0.00 O ATOM 0 H SER A -1 4.417 -9.766 -7.684 1.00 0.00 H new ATOM 0 HA SER A -1 5.590 -10.668 -10.241 1.00 0.00 H new ATOM 0 HB2 SER A -1 2.673 -10.411 -9.358 1.00 0.00 H new ATOM 0 HB3 SER A -1 3.217 -11.013 -10.911 1.00 0.00 H new ATOM 0 HG SER A -1 2.730 -12.728 -9.425 1.00 0.00 H new ATOM 61 N MET A 1 5.499 -7.855 -9.944 1.00 0.00 N ATOM 62 CA MET A 1 5.412 -6.507 -10.472 1.00 0.00 C ATOM 63 C MET A 1 6.408 -6.329 -11.600 1.00 0.00 C ATOM 64 O MET A 1 7.604 -6.563 -11.425 1.00 0.00 O ATOM 65 CB MET A 1 5.653 -5.472 -9.376 1.00 0.00 C ATOM 66 CG MET A 1 5.344 -4.050 -9.815 1.00 0.00 C ATOM 67 SD MET A 1 5.343 -2.896 -8.437 1.00 0.00 S ATOM 68 CE MET A 1 4.126 -3.664 -7.376 1.00 0.00 C ATOM 0 H MET A 1 6.277 -8.017 -9.304 1.00 0.00 H new ATOM 0 HA MET A 1 4.405 -6.353 -10.860 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.038 -5.719 -8.510 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.693 -5.528 -9.055 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.081 -3.731 -10.552 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.371 -4.027 -10.306 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.465 -2.899 -6.967 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.540 -4.379 -7.953 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.630 -4.182 -6.560 1.00 0.00 H new ATOM 78 N ASP A 2 5.912 -5.936 -12.764 1.00 0.00 N ATOM 79 CA ASP A 2 6.749 -5.743 -13.925 1.00 0.00 C ATOM 80 C ASP A 2 7.747 -4.624 -13.690 1.00 0.00 C ATOM 81 O ASP A 2 7.416 -3.601 -13.096 1.00 0.00 O ATOM 82 CB ASP A 2 5.876 -5.442 -15.144 1.00 0.00 C ATOM 83 CG ASP A 2 4.905 -6.567 -15.464 1.00 0.00 C ATOM 84 OD1 ASP A 2 4.053 -6.892 -14.608 1.00 0.00 O ATOM 85 OD2 ASP A 2 4.983 -7.129 -16.574 1.00 0.00 O ATOM 0 H ASP A 2 4.923 -5.744 -12.924 1.00 0.00 H new ATOM 0 HA ASP A 2 7.312 -6.658 -14.110 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.316 -4.524 -14.967 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.516 -5.263 -16.008 1.00 0.00 H new ATOM 90 N ALA A 3 8.968 -4.840 -14.147 1.00 0.00 N ATOM 91 CA ALA A 3 10.049 -3.878 -13.995 1.00 0.00 C ATOM 92 C ALA A 3 9.698 -2.554 -14.659 1.00 0.00 C ATOM 93 O ALA A 3 9.874 -1.499 -14.068 1.00 0.00 O ATOM 94 CB ALA A 3 11.338 -4.442 -14.570 1.00 0.00 C ATOM 0 H ALA A 3 9.240 -5.692 -14.637 1.00 0.00 H new ATOM 0 HA ALA A 3 10.194 -3.690 -12.931 1.00 0.00 H new ATOM 0 HB1 ALA A 3 12.139 -3.713 -14.450 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.600 -5.360 -14.043 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.200 -4.659 -15.629 1.00 0.00 H new ATOM 100 N LYS A 4 9.188 -2.621 -15.882 1.00 0.00 N ATOM 101 CA LYS A 4 8.803 -1.425 -16.620 1.00 0.00 C ATOM 102 C LYS A 4 7.696 -0.687 -15.869 1.00 0.00 C ATOM 103 O LYS A 4 7.698 0.541 -15.786 1.00 0.00 O ATOM 104 CB LYS A 4 8.332 -1.799 -18.032 1.00 0.00 C ATOM 105 CG LYS A 4 8.169 -0.611 -18.973 1.00 0.00 C ATOM 106 CD LYS A 4 9.507 0.054 -19.267 1.00 0.00 C ATOM 107 CE LYS A 4 9.743 0.209 -20.763 1.00 0.00 C ATOM 108 NZ LYS A 4 8.778 1.143 -21.401 1.00 0.00 N ATOM 0 H LYS A 4 9.031 -3.494 -16.385 1.00 0.00 H new ATOM 0 HA LYS A 4 9.669 -0.769 -16.708 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.046 -2.498 -18.468 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.379 -2.323 -17.958 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.714 -0.944 -19.906 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.490 0.116 -18.529 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.539 1.034 -18.790 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.311 -0.539 -18.831 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.758 0.570 -20.931 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.668 -0.767 -21.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.490 0.766 -22.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.940 1.245 -20.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.227 2.072 -21.530 1.00 0.00 H new ATOM 122 N ALA A 5 6.774 -1.452 -15.292 1.00 0.00 N ATOM 123 CA ALA A 5 5.678 -0.889 -14.516 1.00 0.00 C ATOM 124 C ALA A 5 6.210 -0.257 -13.238 1.00 0.00 C ATOM 125 O ALA A 5 6.047 0.943 -13.005 1.00 0.00 O ATOM 126 CB ALA A 5 4.686 -1.995 -14.168 1.00 0.00 C ATOM 0 H ALA A 5 6.766 -2.470 -15.349 1.00 0.00 H new ATOM 0 HA ALA A 5 5.179 -0.121 -15.106 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.864 -1.577 -13.587 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.295 -2.435 -15.085 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.190 -2.764 -13.583 1.00 0.00 H new ATOM 132 N ARG A 6 6.847 -1.086 -12.420 1.00 0.00 N ATOM 133 CA ARG A 6 7.402 -0.648 -11.142 1.00 0.00 C ATOM 134 C ARG A 6 8.358 0.535 -11.298 1.00 0.00 C ATOM 135 O ARG A 6 8.448 1.401 -10.424 1.00 0.00 O ATOM 136 CB ARG A 6 8.111 -1.819 -10.468 1.00 0.00 C ATOM 137 CG ARG A 6 8.414 -1.574 -9.009 1.00 0.00 C ATOM 138 CD ARG A 6 8.773 -2.871 -8.306 1.00 0.00 C ATOM 139 NE ARG A 6 10.028 -3.434 -8.806 1.00 0.00 N ATOM 140 CZ ARG A 6 11.225 -2.904 -8.595 1.00 0.00 C ATOM 141 NH1 ARG A 6 11.355 -1.792 -7.898 1.00 0.00 N ATOM 142 NH2 ARG A 6 12.295 -3.481 -9.112 1.00 0.00 N ATOM 0 H ARG A 6 6.994 -2.075 -12.621 1.00 0.00 H new ATOM 0 HA ARG A 6 6.576 -0.306 -10.519 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.491 -2.711 -10.558 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.042 -2.023 -10.996 1.00 0.00 H new ATOM 0 HG2 ARG A 6 9.238 -0.866 -8.918 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.549 -1.120 -8.525 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.857 -2.692 -7.234 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.970 -3.594 -8.446 1.00 0.00 H new ATOM 0 HE ARG A 6 9.978 -4.293 -9.354 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.530 -1.331 -7.515 1.00 0.00 H new ATOM 0 HH12 ARG A 6 12.281 -1.393 -7.742 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.198 -4.329 -9.670 1.00 0.00 H new ATOM 0 HH22 ARG A 6 13.219 -3.078 -8.953 1.00 0.00 H new ATOM 156 N ASN A 7 9.064 0.574 -12.415 1.00 0.00 N ATOM 157 CA ASN A 7 10.000 1.648 -12.683 1.00 0.00 C ATOM 158 C ASN A 7 9.285 2.906 -13.096 1.00 0.00 C ATOM 159 O ASN A 7 9.557 3.948 -12.553 1.00 0.00 O ATOM 160 CB ASN A 7 11.028 1.251 -13.741 1.00 0.00 C ATOM 161 CG ASN A 7 12.257 0.596 -13.142 1.00 0.00 C ATOM 162 OD1 ASN A 7 13.042 1.241 -12.451 1.00 0.00 O ATOM 163 ND2 ASN A 7 12.419 -0.689 -13.396 1.00 0.00 N ATOM 0 H ASN A 7 9.005 -0.129 -13.152 1.00 0.00 H new ATOM 0 HA ASN A 7 10.533 1.844 -11.753 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.566 0.566 -14.452 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.329 2.137 -14.300 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.222 -1.187 -13.013 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.741 -1.184 -13.975 1.00 0.00 H new ATOM 170 N CYS A 8 8.349 2.826 -14.022 1.00 0.00 N ATOM 171 CA CYS A 8 7.613 4.024 -14.427 1.00 0.00 C ATOM 172 C CYS A 8 7.030 4.731 -13.211 1.00 0.00 C ATOM 173 O CYS A 8 6.795 5.939 -13.223 1.00 0.00 O ATOM 174 CB CYS A 8 6.498 3.654 -15.411 1.00 0.00 C ATOM 175 SG CYS A 8 7.056 3.250 -17.092 1.00 0.00 S ATOM 0 H CYS A 8 8.079 1.968 -14.503 1.00 0.00 H new ATOM 0 HA CYS A 8 8.306 4.704 -14.922 1.00 0.00 H new ATOM 0 HB2 CYS A 8 5.951 2.800 -15.012 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.795 4.485 -15.468 1.00 0.00 H new ATOM 0 HG CYS A 8 7.500 2.028 -17.120 1.00 0.00 H new ATOM 181 N LEU A 9 6.836 3.980 -12.149 1.00 0.00 N ATOM 182 CA LEU A 9 6.321 4.528 -10.922 1.00 0.00 C ATOM 183 C LEU A 9 7.431 5.155 -10.078 1.00 0.00 C ATOM 184 O LEU A 9 7.383 6.341 -9.753 1.00 0.00 O ATOM 185 CB LEU A 9 5.631 3.421 -10.133 1.00 0.00 C ATOM 186 CG LEU A 9 5.652 3.588 -8.617 1.00 0.00 C ATOM 187 CD1 LEU A 9 4.719 4.710 -8.182 1.00 0.00 C ATOM 188 CD2 LEU A 9 5.289 2.283 -7.923 1.00 0.00 C ATOM 0 H LEU A 9 7.031 2.979 -12.115 1.00 0.00 H new ATOM 0 HA LEU A 9 5.608 5.315 -11.167 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.593 3.357 -10.460 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.103 2.471 -10.384 1.00 0.00 H new ATOM 0 HG LEU A 9 6.666 3.858 -8.321 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.751 4.810 -7.097 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.036 5.646 -8.642 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.701 4.479 -8.495 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.311 2.427 -6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.289 1.975 -8.228 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.007 1.511 -8.201 1.00 0.00 H new ATOM 200 N LEU A 10 8.405 4.336 -9.694 1.00 0.00 N ATOM 201 CA LEU A 10 9.494 4.795 -8.833 1.00 0.00 C ATOM 202 C LEU A 10 10.554 5.627 -9.575 1.00 0.00 C ATOM 203 O LEU A 10 11.145 6.539 -9.002 1.00 0.00 O ATOM 204 CB LEU A 10 10.164 3.586 -8.196 1.00 0.00 C ATOM 205 CG LEU A 10 9.292 2.791 -7.226 1.00 0.00 C ATOM 206 CD1 LEU A 10 9.887 1.416 -6.983 1.00 0.00 C ATOM 207 CD2 LEU A 10 9.140 3.534 -5.916 1.00 0.00 C ATOM 0 H LEU A 10 8.464 3.354 -9.963 1.00 0.00 H new ATOM 0 HA LEU A 10 9.051 5.448 -8.081 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.499 2.917 -8.989 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.055 3.923 -7.665 1.00 0.00 H new ATOM 0 HG LEU A 10 8.305 2.670 -7.673 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.253 0.863 -6.290 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.951 0.875 -7.927 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.885 1.521 -6.557 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.516 2.952 -5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.122 3.684 -5.467 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.673 4.502 -6.099 1.00 0.00 H new ATOM 219 N GLN A 11 10.792 5.300 -10.844 1.00 0.00 N ATOM 220 CA GLN A 11 11.777 5.997 -11.685 1.00 0.00 C ATOM 221 C GLN A 11 11.343 7.440 -11.891 1.00 0.00 C ATOM 222 O GLN A 11 12.171 8.334 -12.048 1.00 0.00 O ATOM 223 CB GLN A 11 11.907 5.281 -13.027 1.00 0.00 C ATOM 224 CG GLN A 11 13.134 5.630 -13.842 1.00 0.00 C ATOM 225 CD GLN A 11 13.173 4.827 -15.130 1.00 0.00 C ATOM 226 OE1 GLN A 11 14.156 4.843 -15.862 1.00 0.00 O ATOM 227 NE2 GLN A 11 12.080 4.133 -15.409 1.00 0.00 N ATOM 0 H GLN A 11 10.308 4.542 -11.324 1.00 0.00 H new ATOM 0 HA GLN A 11 12.748 5.990 -11.191 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.908 4.206 -12.846 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.022 5.503 -13.624 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.132 6.695 -14.072 1.00 0.00 H new ATOM 0 HG3 GLN A 11 14.033 5.432 -13.258 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.287 4.151 -14.768 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.031 3.580 -16.265 1.00 0.00 H new ATOM 236 N HIS A 12 10.037 7.669 -11.831 1.00 0.00 N ATOM 237 CA HIS A 12 9.503 9.011 -11.944 1.00 0.00 C ATOM 238 C HIS A 12 9.570 9.694 -10.589 1.00 0.00 C ATOM 239 O HIS A 12 8.700 10.471 -10.228 1.00 0.00 O ATOM 240 CB HIS A 12 8.076 9.006 -12.499 1.00 0.00 C ATOM 241 CG HIS A 12 8.032 9.124 -13.997 1.00 0.00 C ATOM 242 ND1 HIS A 12 8.268 10.304 -14.674 1.00 0.00 N ATOM 243 CD2 HIS A 12 7.814 8.190 -14.951 1.00 0.00 C ATOM 244 CE1 HIS A 12 8.196 10.085 -15.976 1.00 0.00 C ATOM 245 NE2 HIS A 12 7.923 8.810 -16.166 1.00 0.00 N ATOM 0 H HIS A 12 9.333 6.941 -11.705 1.00 0.00 H new ATOM 0 HA HIS A 12 10.110 9.572 -12.654 1.00 0.00 H new ATOM 0 HB2 HIS A 12 7.577 8.085 -12.197 1.00 0.00 H new ATOM 0 HB3 HIS A 12 7.517 9.831 -12.058 1.00 0.00 H new ATOM 0 HD2 HIS A 12 7.594 7.146 -14.784 1.00 0.00 H new ATOM 0 HE1 HIS A 12 8.337 10.824 -16.751 1.00 0.00 H new ATOM 0 HE2 HIS A 12 7.811 8.358 -17.073 1.00 0.00 H new ATOM 254 N ARG A 13 10.652 9.396 -9.860 1.00 0.00 N ATOM 255 CA ARG A 13 10.906 9.975 -8.540 1.00 0.00 C ATOM 256 C ARG A 13 11.054 11.485 -8.633 1.00 0.00 C ATOM 257 O ARG A 13 11.042 12.182 -7.624 1.00 0.00 O ATOM 258 CB ARG A 13 12.137 9.359 -7.856 1.00 0.00 C ATOM 259 CG ARG A 13 13.439 9.437 -8.641 1.00 0.00 C ATOM 260 CD ARG A 13 13.628 8.200 -9.499 1.00 0.00 C ATOM 261 NE ARG A 13 14.972 8.098 -10.065 1.00 0.00 N ATOM 262 CZ ARG A 13 15.449 8.867 -11.042 1.00 0.00 C ATOM 263 NH1 ARG A 13 14.689 9.786 -11.609 1.00 0.00 N ATOM 264 NH2 ARG A 13 16.684 8.693 -11.472 1.00 0.00 N ATOM 0 H ARG A 13 11.375 8.747 -10.170 1.00 0.00 H new ATOM 0 HA ARG A 13 10.040 9.740 -7.921 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.283 9.856 -6.897 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.925 8.311 -7.644 1.00 0.00 H new ATOM 0 HG2 ARG A 13 13.435 10.325 -9.272 1.00 0.00 H new ATOM 0 HG3 ARG A 13 14.278 9.539 -7.953 1.00 0.00 H new ATOM 0 HD2 ARG A 13 13.424 7.313 -8.899 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.898 8.211 -10.309 1.00 0.00 H new ATOM 0 HE ARG A 13 15.591 7.384 -9.683 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.725 9.913 -11.300 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.066 10.369 -12.356 1.00 0.00 H new ATOM 0 HH21 ARG A 13 17.272 7.970 -11.056 1.00 0.00 H new ATOM 0 HH22 ARG A 13 17.051 9.281 -12.220 1.00 0.00 H new ATOM 278 N GLU A 14 11.128 11.983 -9.864 1.00 0.00 N ATOM 279 CA GLU A 14 11.194 13.410 -10.107 1.00 0.00 C ATOM 280 C GLU A 14 9.841 13.991 -9.705 1.00 0.00 C ATOM 281 O GLU A 14 9.712 15.175 -9.385 1.00 0.00 O ATOM 282 CB GLU A 14 11.486 13.682 -11.591 1.00 0.00 C ATOM 283 CG GLU A 14 11.590 15.153 -11.948 1.00 0.00 C ATOM 284 CD GLU A 14 11.741 15.370 -13.440 1.00 0.00 C ATOM 285 OE1 GLU A 14 12.754 14.919 -14.016 1.00 0.00 O ATOM 286 OE2 GLU A 14 10.837 15.972 -14.052 1.00 0.00 O ATOM 0 H GLU A 14 11.143 11.411 -10.709 1.00 0.00 H new ATOM 0 HA GLU A 14 11.995 13.871 -9.530 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.419 13.188 -11.862 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.698 13.229 -12.193 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.701 15.675 -11.595 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.443 15.591 -11.430 1.00 0.00 H new ATOM 293 N ALA A 15 8.836 13.110 -9.705 1.00 0.00 N ATOM 294 CA ALA A 15 7.481 13.474 -9.330 1.00 0.00 C ATOM 295 C ALA A 15 6.903 12.505 -8.291 1.00 0.00 C ATOM 296 O ALA A 15 5.788 12.707 -7.824 1.00 0.00 O ATOM 297 CB ALA A 15 6.592 13.528 -10.563 1.00 0.00 C ATOM 0 H ALA A 15 8.946 12.130 -9.965 1.00 0.00 H new ATOM 0 HA ALA A 15 7.514 14.463 -8.873 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.579 13.802 -10.269 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.981 14.270 -11.260 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.578 12.550 -11.045 1.00 0.00 H new ATOM 303 N LEU A 16 7.660 11.453 -7.945 1.00 0.00 N ATOM 304 CA LEU A 16 7.209 10.449 -6.961 1.00 0.00 C ATOM 305 C LEU A 16 6.719 11.103 -5.667 1.00 0.00 C ATOM 306 O LEU A 16 5.540 11.362 -5.516 1.00 0.00 O ATOM 307 CB LEU A 16 8.317 9.449 -6.622 1.00 0.00 C ATOM 308 CG LEU A 16 7.836 8.215 -5.854 1.00 0.00 C ATOM 309 CD1 LEU A 16 8.024 6.955 -6.681 1.00 0.00 C ATOM 310 CD2 LEU A 16 8.545 8.098 -4.519 1.00 0.00 C ATOM 0 H LEU A 16 8.587 11.273 -8.330 1.00 0.00 H new ATOM 0 HA LEU A 16 6.380 9.918 -7.429 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.793 9.124 -7.547 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.080 9.956 -6.031 1.00 0.00 H new ATOM 0 HG LEU A 16 6.770 8.334 -5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.675 6.092 -6.114 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.452 7.038 -7.605 1.00 0.00 H new ATOM 0 HD13 LEU A 16 9.080 6.830 -6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.186 7.214 -3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.619 8.011 -4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.341 8.985 -3.919 1.00 0.00 H new ATOM 322 N GLU A 17 7.621 11.364 -4.738 1.00 0.00 N ATOM 323 CA GLU A 17 7.233 11.979 -3.467 1.00 0.00 C ATOM 324 C GLU A 17 6.625 13.370 -3.695 1.00 0.00 C ATOM 325 O GLU A 17 5.823 13.853 -2.890 1.00 0.00 O ATOM 326 CB GLU A 17 8.444 12.070 -2.533 1.00 0.00 C ATOM 327 CG GLU A 17 8.146 12.740 -1.198 1.00 0.00 C ATOM 328 CD GLU A 17 9.329 12.709 -0.254 1.00 0.00 C ATOM 329 OE1 GLU A 17 10.446 13.045 -0.688 1.00 0.00 O ATOM 330 OE2 GLU A 17 9.145 12.361 0.934 1.00 0.00 O ATOM 0 H GLU A 17 8.617 11.165 -4.831 1.00 0.00 H new ATOM 0 HA GLU A 17 6.475 11.351 -2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.823 11.065 -2.347 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.238 12.622 -3.036 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.852 13.775 -1.373 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.298 12.243 -0.728 1.00 0.00 H new ATOM 337 N LYS A 18 7.013 14.006 -4.791 1.00 0.00 N ATOM 338 CA LYS A 18 6.524 15.337 -5.133 1.00 0.00 C ATOM 339 C LYS A 18 5.012 15.357 -5.373 1.00 0.00 C ATOM 340 O LYS A 18 4.325 16.280 -4.940 1.00 0.00 O ATOM 341 CB LYS A 18 7.231 15.838 -6.393 1.00 0.00 C ATOM 342 CG LYS A 18 7.767 17.256 -6.290 1.00 0.00 C ATOM 343 CD LYS A 18 8.996 17.330 -5.390 1.00 0.00 C ATOM 344 CE LYS A 18 9.597 18.718 -5.386 1.00 0.00 C ATOM 345 NZ LYS A 18 10.926 18.758 -4.710 1.00 0.00 N ATOM 0 H LYS A 18 7.672 13.618 -5.466 1.00 0.00 H new ATOM 0 HA LYS A 18 6.740 15.987 -4.285 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.058 15.166 -6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.535 15.785 -7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.022 17.622 -7.285 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.989 17.912 -5.899 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.721 17.048 -4.373 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.741 16.611 -5.730 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.704 19.068 -6.413 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.916 19.405 -4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.298 19.729 -4.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.822 18.449 -3.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.586 18.123 -5.204 1.00 0.00 H new ATOM 359 N ASP A 19 4.503 14.364 -6.093 1.00 0.00 N ATOM 360 CA ASP A 19 3.076 14.315 -6.414 1.00 0.00 C ATOM 361 C ASP A 19 2.352 13.150 -5.732 1.00 0.00 C ATOM 362 O ASP A 19 1.217 13.303 -5.292 1.00 0.00 O ATOM 363 CB ASP A 19 2.899 14.201 -7.925 1.00 0.00 C ATOM 364 CG ASP A 19 1.480 14.482 -8.380 1.00 0.00 C ATOM 365 OD1 ASP A 19 0.814 15.354 -7.789 1.00 0.00 O ATOM 366 OD2 ASP A 19 1.047 13.866 -9.375 1.00 0.00 O ATOM 0 H ASP A 19 5.049 13.587 -6.464 1.00 0.00 H new ATOM 0 HA ASP A 19 2.632 15.237 -6.039 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.577 14.898 -8.418 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.185 13.199 -8.244 1.00 0.00 H new ATOM 371 N ILE A 20 3.004 11.987 -5.655 1.00 0.00 N ATOM 372 CA ILE A 20 2.413 10.793 -5.037 1.00 0.00 C ATOM 373 C ILE A 20 1.963 11.067 -3.597 1.00 0.00 C ATOM 374 O ILE A 20 2.782 11.205 -2.682 1.00 0.00 O ATOM 375 CB ILE A 20 3.400 9.595 -5.051 1.00 0.00 C ATOM 376 CG1 ILE A 20 3.727 9.147 -6.477 1.00 0.00 C ATOM 377 CG2 ILE A 20 2.856 8.416 -4.273 1.00 0.00 C ATOM 378 CD1 ILE A 20 4.590 7.897 -6.522 1.00 0.00 C ATOM 0 H ILE A 20 3.948 11.845 -6.015 1.00 0.00 H new ATOM 0 HA ILE A 20 1.539 10.535 -5.635 1.00 0.00 H new ATOM 0 HB ILE A 20 4.314 9.946 -4.572 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.798 8.960 -7.016 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.240 9.955 -6.998 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.574 7.596 -4.305 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.687 8.710 -3.237 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.915 8.091 -4.716 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.788 7.629 -7.560 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.533 8.087 -6.010 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.069 7.077 -6.028 1.00 0.00 H new ATOM 390 N LYS A 21 0.651 11.135 -3.413 1.00 0.00 N ATOM 391 CA LYS A 21 0.056 11.372 -2.103 1.00 0.00 C ATOM 392 C LYS A 21 -0.361 10.032 -1.506 1.00 0.00 C ATOM 393 O LYS A 21 -0.719 9.117 -2.245 1.00 0.00 O ATOM 394 CB LYS A 21 -1.148 12.303 -2.250 1.00 0.00 C ATOM 395 CG LYS A 21 -1.536 13.044 -0.977 1.00 0.00 C ATOM 396 CD LYS A 21 -2.688 13.988 -1.241 1.00 0.00 C ATOM 397 CE LYS A 21 -3.039 14.821 -0.014 1.00 0.00 C ATOM 398 NZ LYS A 21 -4.172 15.735 -0.279 1.00 0.00 N ATOM 0 H LYS A 21 -0.030 11.028 -4.165 1.00 0.00 H new ATOM 0 HA LYS A 21 0.776 11.849 -1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.932 13.034 -3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.003 11.719 -2.590 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.815 12.328 -0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.680 13.603 -0.600 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.431 14.651 -2.067 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.562 13.415 -1.552 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.291 14.160 0.815 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.168 15.400 0.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.382 16.285 0.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.922 16.383 -1.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.010 15.181 -0.548 1.00 0.00 H new ATOM 412 N THR A 22 -0.287 9.897 -0.192 1.00 0.00 N ATOM 413 CA THR A 22 -0.628 8.630 0.446 1.00 0.00 C ATOM 414 C THR A 22 -2.071 8.594 0.983 1.00 0.00 C ATOM 415 O THR A 22 -2.966 8.177 0.260 1.00 0.00 O ATOM 416 CB THR A 22 0.402 8.280 1.550 1.00 0.00 C ATOM 417 OG1 THR A 22 -0.095 7.255 2.417 1.00 0.00 O ATOM 418 CG2 THR A 22 0.768 9.505 2.368 1.00 0.00 C ATOM 0 H THR A 22 0.002 10.636 0.449 1.00 0.00 H new ATOM 0 HA THR A 22 -0.580 7.863 -0.327 1.00 0.00 H new ATOM 0 HB THR A 22 1.297 7.912 1.048 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.628 6.941 3.000 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.492 9.228 3.134 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.202 10.262 1.715 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.127 9.906 2.843 1.00 0.00 H new ATOM 426 N SER A 23 -2.252 9.007 2.244 1.00 0.00 N ATOM 427 CA SER A 23 -3.544 9.034 2.969 1.00 0.00 C ATOM 428 C SER A 23 -4.780 8.578 2.165 1.00 0.00 C ATOM 429 O SER A 23 -5.308 7.493 2.403 1.00 0.00 O ATOM 430 CB SER A 23 -3.776 10.441 3.525 1.00 0.00 C ATOM 431 OG SER A 23 -2.661 10.872 4.297 1.00 0.00 O ATOM 0 H SER A 23 -1.478 9.346 2.815 1.00 0.00 H new ATOM 0 HA SER A 23 -3.445 8.292 3.761 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.946 11.137 2.704 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.675 10.449 4.141 1.00 0.00 H new ATOM 0 HG SER A 23 -2.830 11.774 4.641 1.00 0.00 H new ATOM 437 N TYR A 24 -5.255 9.420 1.250 1.00 0.00 N ATOM 438 CA TYR A 24 -6.450 9.115 0.452 1.00 0.00 C ATOM 439 C TYR A 24 -6.237 7.951 -0.518 1.00 0.00 C ATOM 440 O TYR A 24 -6.996 6.979 -0.510 1.00 0.00 O ATOM 441 CB TYR A 24 -6.888 10.358 -0.318 1.00 0.00 C ATOM 442 CG TYR A 24 -7.530 11.426 0.546 1.00 0.00 C ATOM 443 CD1 TYR A 24 -6.879 11.931 1.667 1.00 0.00 C ATOM 444 CD2 TYR A 24 -8.787 11.927 0.242 1.00 0.00 C ATOM 445 CE1 TYR A 24 -7.462 12.903 2.453 1.00 0.00 C ATOM 446 CE2 TYR A 24 -9.378 12.898 1.026 1.00 0.00 C ATOM 447 CZ TYR A 24 -8.711 13.379 2.129 1.00 0.00 C ATOM 448 OH TYR A 24 -9.301 14.334 2.917 1.00 0.00 O ATOM 0 H TYR A 24 -4.832 10.324 1.039 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.230 8.809 1.149 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.021 10.785 -0.821 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.593 10.062 -1.095 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.900 11.555 1.926 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.313 11.551 -0.623 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.941 13.288 3.317 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -10.358 13.277 0.775 1.00 0.00 H new ATOM 0 HH TYR A 24 -10.180 14.563 2.550 1.00 0.00 H new ATOM 458 N ILE A 25 -5.205 8.040 -1.347 1.00 0.00 N ATOM 459 CA ILE A 25 -4.886 6.986 -2.308 1.00 0.00 C ATOM 460 C ILE A 25 -4.679 5.658 -1.577 1.00 0.00 C ATOM 461 O ILE A 25 -5.105 4.596 -2.032 1.00 0.00 O ATOM 462 CB ILE A 25 -3.624 7.372 -3.116 1.00 0.00 C ATOM 463 CG1 ILE A 25 -3.974 8.476 -4.118 1.00 0.00 C ATOM 464 CG2 ILE A 25 -3.018 6.170 -3.824 1.00 0.00 C ATOM 465 CD1 ILE A 25 -2.773 9.085 -4.805 1.00 0.00 C ATOM 0 H ILE A 25 -4.569 8.837 -1.375 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.717 6.870 -3.004 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.872 7.743 -2.420 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.644 8.067 -4.874 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.521 9.263 -3.599 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.134 6.483 -4.380 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.736 5.418 -3.087 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.749 5.747 -4.513 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.104 9.858 -5.498 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.112 9.526 -4.059 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.236 8.311 -5.354 1.00 0.00 H new ATOM 477 N MET A 26 -4.058 5.751 -0.418 1.00 0.00 N ATOM 478 CA MET A 26 -3.799 4.609 0.437 1.00 0.00 C ATOM 479 C MET A 26 -5.098 4.081 1.038 1.00 0.00 C ATOM 480 O MET A 26 -5.207 2.895 1.326 1.00 0.00 O ATOM 481 CB MET A 26 -2.846 5.031 1.561 1.00 0.00 C ATOM 482 CG MET A 26 -2.754 4.046 2.721 1.00 0.00 C ATOM 483 SD MET A 26 -1.946 4.761 4.163 1.00 0.00 S ATOM 484 CE MET A 26 -2.069 3.400 5.321 1.00 0.00 C ATOM 0 H MET A 26 -3.715 6.633 -0.038 1.00 0.00 H new ATOM 0 HA MET A 26 -3.347 3.815 -0.158 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.850 5.171 1.141 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.168 5.998 1.948 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.756 3.716 2.995 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.204 3.161 2.401 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.448 3.607 6.193 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.106 3.282 5.634 1.00 0.00 H new ATOM 0 HE3 MET A 26 -1.728 2.482 4.842 1.00 0.00 H new ATOM 494 N ASP A 27 -6.080 4.959 1.214 1.00 0.00 N ATOM 495 CA ASP A 27 -7.358 4.549 1.791 1.00 0.00 C ATOM 496 C ASP A 27 -8.057 3.602 0.834 1.00 0.00 C ATOM 497 O ASP A 27 -8.681 2.619 1.236 1.00 0.00 O ATOM 498 CB ASP A 27 -8.227 5.779 2.078 1.00 0.00 C ATOM 499 CG ASP A 27 -9.349 5.494 3.056 1.00 0.00 C ATOM 500 OD1 ASP A 27 -10.189 4.618 2.774 1.00 0.00 O ATOM 501 OD2 ASP A 27 -9.398 6.161 4.111 1.00 0.00 O ATOM 0 H ASP A 27 -6.019 5.947 0.969 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.186 4.033 2.735 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.599 6.576 2.476 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.651 6.144 1.143 1.00 0.00 H new ATOM 506 N HIS A 28 -7.906 3.888 -0.446 1.00 0.00 N ATOM 507 CA HIS A 28 -8.486 3.064 -1.493 1.00 0.00 C ATOM 508 C HIS A 28 -7.760 1.722 -1.575 1.00 0.00 C ATOM 509 O HIS A 28 -8.372 0.698 -1.859 1.00 0.00 O ATOM 510 CB HIS A 28 -8.421 3.797 -2.834 1.00 0.00 C ATOM 511 CG HIS A 28 -9.179 5.087 -2.839 1.00 0.00 C ATOM 512 ND1 HIS A 28 -10.552 5.163 -2.751 1.00 0.00 N ATOM 513 CD2 HIS A 28 -8.738 6.362 -2.907 1.00 0.00 C ATOM 514 CE1 HIS A 28 -10.921 6.431 -2.763 1.00 0.00 C ATOM 515 NE2 HIS A 28 -9.841 7.174 -2.858 1.00 0.00 N ATOM 0 H HIS A 28 -7.381 4.693 -0.789 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.532 2.872 -1.254 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.378 3.995 -3.082 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.817 3.148 -3.615 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.709 6.682 -2.985 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.936 6.795 -2.705 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.826 8.193 -2.890 1.00 0.00 H new ATOM 524 N MET A 29 -6.457 1.734 -1.310 1.00 0.00 N ATOM 525 CA MET A 29 -5.657 0.511 -1.348 1.00 0.00 C ATOM 526 C MET A 29 -6.040 -0.450 -0.214 1.00 0.00 C ATOM 527 O MET A 29 -6.050 -1.668 -0.393 1.00 0.00 O ATOM 528 CB MET A 29 -4.164 0.847 -1.278 1.00 0.00 C ATOM 529 CG MET A 29 -3.615 1.419 -2.575 1.00 0.00 C ATOM 530 SD MET A 29 -1.847 1.108 -2.784 1.00 0.00 S ATOM 531 CE MET A 29 -1.870 -0.633 -3.211 1.00 0.00 C ATOM 0 H MET A 29 -5.932 2.574 -1.067 1.00 0.00 H new ATOM 0 HA MET A 29 -5.864 0.010 -2.293 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.997 1.564 -0.474 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.607 -0.055 -1.022 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.157 0.987 -3.416 1.00 0.00 H new ATOM 0 HG3 MET A 29 -3.796 2.494 -2.598 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.850 -0.981 -3.373 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.323 -1.201 -2.398 1.00 0.00 H new ATOM 0 HE3 MET A 29 -2.452 -0.777 -4.122 1.00 0.00 H new ATOM 541 N ILE A 30 -6.359 0.100 0.950 1.00 0.00 N ATOM 542 CA ILE A 30 -6.745 -0.712 2.096 1.00 0.00 C ATOM 543 C ILE A 30 -8.164 -1.221 1.906 1.00 0.00 C ATOM 544 O ILE A 30 -8.481 -2.355 2.257 1.00 0.00 O ATOM 545 CB ILE A 30 -6.676 0.085 3.406 1.00 0.00 C ATOM 546 CG1 ILE A 30 -5.396 0.914 3.464 1.00 0.00 C ATOM 547 CG2 ILE A 30 -6.740 -0.844 4.613 1.00 0.00 C ATOM 548 CD1 ILE A 30 -5.299 1.790 4.685 1.00 0.00 C ATOM 0 H ILE A 30 -6.358 1.105 1.125 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.045 -1.545 2.162 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.536 0.754 3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.537 0.243 3.440 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.337 1.539 2.573 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.689 -0.255 5.529 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.675 -1.403 4.593 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.901 -1.539 4.582 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.364 2.349 4.658 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.138 2.486 4.701 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.325 1.170 5.581 1.00 0.00 H new ATOM 560 N SER A 31 -9.003 -0.374 1.313 1.00 0.00 N ATOM 561 CA SER A 31 -10.387 -0.737 1.035 1.00 0.00 C ATOM 562 C SER A 31 -10.410 -1.875 0.023 1.00 0.00 C ATOM 563 O SER A 31 -11.324 -2.702 0.013 1.00 0.00 O ATOM 564 CB SER A 31 -11.166 0.472 0.503 1.00 0.00 C ATOM 565 OG SER A 31 -11.152 1.546 1.434 1.00 0.00 O ATOM 0 H SER A 31 -8.747 0.568 1.017 1.00 0.00 H new ATOM 0 HA SER A 31 -10.867 -1.063 1.958 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.731 0.801 -0.441 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.196 0.181 0.296 1.00 0.00 H new ATOM 0 HG SER A 31 -10.305 2.033 1.359 1.00 0.00 H new ATOM 571 N ASP A 32 -9.364 -1.925 -0.801 1.00 0.00 N ATOM 572 CA ASP A 32 -9.212 -2.975 -1.796 1.00 0.00 C ATOM 573 C ASP A 32 -8.827 -4.266 -1.107 1.00 0.00 C ATOM 574 O ASP A 32 -9.113 -5.362 -1.590 1.00 0.00 O ATOM 575 CB ASP A 32 -8.124 -2.607 -2.800 1.00 0.00 C ATOM 576 CG ASP A 32 -8.624 -1.782 -3.963 1.00 0.00 C ATOM 577 OD1 ASP A 32 -9.845 -1.589 -4.091 1.00 0.00 O ATOM 578 OD2 ASP A 32 -7.782 -1.334 -4.765 1.00 0.00 O ATOM 0 H ASP A 32 -8.606 -1.243 -0.795 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.158 -3.096 -2.324 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.339 -2.054 -2.285 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.671 -3.522 -3.183 1.00 0.00 H new ATOM 583 N GLY A 33 -8.170 -4.123 0.037 1.00 0.00 N ATOM 584 CA GLY A 33 -7.755 -5.286 0.782 1.00 0.00 C ATOM 585 C GLY A 33 -6.318 -5.667 0.504 1.00 0.00 C ATOM 586 O GLY A 33 -5.826 -6.671 1.014 1.00 0.00 O ATOM 0 H GLY A 33 -7.920 -3.227 0.456 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.877 -5.094 1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.405 -6.125 0.533 1.00 0.00 H new ATOM 590 N PHE A 34 -5.637 -4.865 -0.311 1.00 0.00 N ATOM 591 CA PHE A 34 -4.249 -5.136 -0.641 1.00 0.00 C ATOM 592 C PHE A 34 -3.356 -4.671 0.505 1.00 0.00 C ATOM 593 O PHE A 34 -2.235 -5.152 0.684 1.00 0.00 O ATOM 594 CB PHE A 34 -3.864 -4.471 -1.969 1.00 0.00 C ATOM 595 CG PHE A 34 -4.504 -5.122 -3.163 1.00 0.00 C ATOM 596 CD1 PHE A 34 -5.873 -5.056 -3.359 1.00 0.00 C ATOM 597 CD2 PHE A 34 -3.735 -5.803 -4.089 1.00 0.00 C ATOM 598 CE1 PHE A 34 -6.461 -5.654 -4.453 1.00 0.00 C ATOM 599 CE2 PHE A 34 -4.314 -6.404 -5.189 1.00 0.00 C ATOM 600 CZ PHE A 34 -5.679 -6.329 -5.372 1.00 0.00 C ATOM 0 H PHE A 34 -6.024 -4.030 -0.750 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.110 -6.209 -0.772 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.151 -3.420 -1.939 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.780 -4.502 -2.083 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.489 -4.529 -2.645 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.666 -5.866 -3.950 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.530 -5.595 -4.592 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.700 -6.931 -5.904 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.136 -6.797 -6.232 1.00 0.00 H new ATOM 610 N LEU A 35 -3.891 -3.763 1.309 1.00 0.00 N ATOM 611 CA LEU A 35 -3.187 -3.265 2.476 1.00 0.00 C ATOM 612 C LEU A 35 -3.891 -3.784 3.721 1.00 0.00 C ATOM 613 O LEU A 35 -5.070 -3.493 3.943 1.00 0.00 O ATOM 614 CB LEU A 35 -3.133 -1.733 2.487 1.00 0.00 C ATOM 615 CG LEU A 35 -1.898 -1.108 1.834 1.00 0.00 C ATOM 616 CD1 LEU A 35 -1.826 -1.443 0.358 1.00 0.00 C ATOM 617 CD2 LEU A 35 -1.906 0.396 2.035 1.00 0.00 C ATOM 0 H LEU A 35 -4.816 -3.356 1.171 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.157 -3.621 2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.020 -1.353 1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.186 -1.393 3.521 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.013 -1.526 2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.938 -0.984 -0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.774 -2.525 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.714 -1.062 -0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.023 0.830 1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.802 0.819 1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.898 0.621 3.102 1.00 0.00 H new ATOM 629 N THR A 36 -3.186 -4.568 4.508 1.00 0.00 N ATOM 630 CA THR A 36 -3.765 -5.136 5.713 1.00 0.00 C ATOM 631 C THR A 36 -3.747 -4.095 6.828 1.00 0.00 C ATOM 632 O THR A 36 -2.997 -3.129 6.745 1.00 0.00 O ATOM 633 CB THR A 36 -2.981 -6.390 6.145 1.00 0.00 C ATOM 634 OG1 THR A 36 -2.768 -7.249 5.014 1.00 0.00 O ATOM 635 CG2 THR A 36 -3.730 -7.165 7.220 1.00 0.00 C ATOM 0 H THR A 36 -2.214 -4.828 4.339 1.00 0.00 H new ATOM 0 HA THR A 36 -4.796 -5.427 5.509 1.00 0.00 H new ATOM 0 HB THR A 36 -2.024 -6.061 6.551 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.268 -8.043 5.296 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.152 -8.044 7.504 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.875 -6.529 8.093 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.700 -7.478 6.834 1.00 0.00 H new ATOM 643 N ILE A 37 -4.571 -4.277 7.856 1.00 0.00 N ATOM 644 CA ILE A 37 -4.628 -3.329 8.971 1.00 0.00 C ATOM 645 C ILE A 37 -3.229 -3.048 9.531 1.00 0.00 C ATOM 646 O ILE A 37 -2.892 -1.908 9.827 1.00 0.00 O ATOM 647 CB ILE A 37 -5.546 -3.842 10.103 1.00 0.00 C ATOM 648 CG1 ILE A 37 -6.963 -4.065 9.571 1.00 0.00 C ATOM 649 CG2 ILE A 37 -5.565 -2.858 11.267 1.00 0.00 C ATOM 650 CD1 ILE A 37 -7.906 -4.689 10.578 1.00 0.00 C ATOM 0 H ILE A 37 -5.208 -5.069 7.943 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.045 -2.401 8.579 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.153 -4.792 10.465 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.374 -3.109 9.248 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.913 -4.705 8.690 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.217 -3.238 12.054 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.555 -2.739 11.659 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.937 -1.893 10.922 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.890 -4.815 10.126 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.520 -5.661 10.884 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.988 -4.040 11.450 1.00 0.00 H new ATOM 662 N SER A 38 -2.419 -4.092 9.636 1.00 0.00 N ATOM 663 CA SER A 38 -1.048 -3.966 10.122 1.00 0.00 C ATOM 664 C SER A 38 -0.192 -3.176 9.133 1.00 0.00 C ATOM 665 O SER A 38 0.647 -2.364 9.535 1.00 0.00 O ATOM 666 CB SER A 38 -0.469 -5.362 10.336 1.00 0.00 C ATOM 667 OG SER A 38 -1.033 -6.279 9.407 1.00 0.00 O ATOM 0 H SER A 38 -2.689 -5.044 9.389 1.00 0.00 H new ATOM 0 HA SER A 38 -1.049 -3.422 11.066 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.614 -5.335 10.219 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.671 -5.695 11.354 1.00 0.00 H new ATOM 0 HG SER A 38 -0.652 -7.170 9.554 1.00 0.00 H new ATOM 673 N GLU A 39 -0.428 -3.392 7.839 1.00 0.00 N ATOM 674 CA GLU A 39 0.297 -2.675 6.797 1.00 0.00 C ATOM 675 C GLU A 39 -0.099 -1.199 6.864 1.00 0.00 C ATOM 676 O GLU A 39 0.739 -0.305 6.768 1.00 0.00 O ATOM 677 CB GLU A 39 -0.012 -3.274 5.418 1.00 0.00 C ATOM 678 CG GLU A 39 1.044 -2.961 4.372 1.00 0.00 C ATOM 679 CD GLU A 39 1.020 -3.923 3.200 1.00 0.00 C ATOM 680 OE1 GLU A 39 0.046 -3.905 2.419 1.00 0.00 O ATOM 681 OE2 GLU A 39 1.970 -4.721 3.056 1.00 0.00 O ATOM 0 H GLU A 39 -1.117 -4.059 7.490 1.00 0.00 H new ATOM 0 HA GLU A 39 1.372 -2.768 6.954 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.108 -4.356 5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.975 -2.897 5.074 1.00 0.00 H new ATOM 0 HG2 GLU A 39 0.894 -1.946 4.005 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.029 -2.989 4.838 1.00 0.00 H new ATOM 688 N GLU A 40 -1.394 -0.977 7.089 1.00 0.00 N ATOM 689 CA GLU A 40 -1.960 0.362 7.240 1.00 0.00 C ATOM 690 C GLU A 40 -1.356 1.051 8.463 1.00 0.00 C ATOM 691 O GLU A 40 -0.942 2.212 8.400 1.00 0.00 O ATOM 692 CB GLU A 40 -3.480 0.268 7.412 1.00 0.00 C ATOM 693 CG GLU A 40 -4.114 1.539 7.958 1.00 0.00 C ATOM 694 CD GLU A 40 -5.581 1.364 8.289 1.00 0.00 C ATOM 695 OE1 GLU A 40 -5.921 0.428 9.038 1.00 0.00 O ATOM 696 OE2 GLU A 40 -6.398 2.183 7.821 1.00 0.00 O ATOM 0 H GLU A 40 -2.083 -1.725 7.172 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.729 0.943 6.347 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.932 0.032 6.448 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.710 -0.559 8.083 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.578 1.851 8.854 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.004 2.339 7.226 1.00 0.00 H new ATOM 703 N GLU A 41 -1.333 0.315 9.573 1.00 0.00 N ATOM 704 CA GLU A 41 -0.814 0.803 10.843 1.00 0.00 C ATOM 705 C GLU A 41 0.568 1.439 10.716 1.00 0.00 C ATOM 706 O GLU A 41 0.767 2.564 11.159 1.00 0.00 O ATOM 707 CB GLU A 41 -0.769 -0.335 11.864 1.00 0.00 C ATOM 708 CG GLU A 41 -2.117 -0.629 12.503 1.00 0.00 C ATOM 709 CD GLU A 41 -2.051 -1.721 13.553 1.00 0.00 C ATOM 710 OE1 GLU A 41 -0.954 -2.266 13.790 1.00 0.00 O ATOM 711 OE2 GLU A 41 -3.104 -2.039 14.146 1.00 0.00 O ATOM 0 H GLU A 41 -1.678 -0.644 9.613 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.495 1.583 11.182 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.403 -1.238 11.375 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.052 -0.083 12.646 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.503 0.283 12.959 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.824 -0.921 11.727 1.00 0.00 H new ATOM 718 N LYS A 42 1.526 0.723 10.147 1.00 0.00 N ATOM 719 CA LYS A 42 2.882 1.262 10.025 1.00 0.00 C ATOM 720 C LYS A 42 2.948 2.507 9.146 1.00 0.00 C ATOM 721 O LYS A 42 3.523 3.514 9.560 1.00 0.00 O ATOM 722 CB LYS A 42 3.862 0.191 9.544 1.00 0.00 C ATOM 723 CG LYS A 42 4.401 -0.647 10.689 1.00 0.00 C ATOM 724 CD LYS A 42 5.035 0.246 11.742 1.00 0.00 C ATOM 725 CE LYS A 42 5.179 -0.452 13.079 1.00 0.00 C ATOM 726 NZ LYS A 42 5.454 0.518 14.170 1.00 0.00 N ATOM 0 H LYS A 42 1.400 -0.215 9.767 1.00 0.00 H new ATOM 0 HA LYS A 42 3.182 1.575 11.025 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.364 -0.458 8.824 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.692 0.668 9.023 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.594 -1.229 11.134 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.137 -1.358 10.314 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.017 0.570 11.397 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.429 1.143 11.867 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.266 -1.005 13.303 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.988 -1.181 13.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.547 0.009 15.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.338 1.027 13.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.670 1.198 14.236 1.00 0.00 H new ATOM 740 N VAL A 43 2.349 2.452 7.961 1.00 0.00 N ATOM 741 CA VAL A 43 2.342 3.608 7.059 1.00 0.00 C ATOM 742 C VAL A 43 1.811 4.837 7.792 1.00 0.00 C ATOM 743 O VAL A 43 2.456 5.883 7.822 1.00 0.00 O ATOM 744 CB VAL A 43 1.454 3.357 5.816 1.00 0.00 C ATOM 745 CG1 VAL A 43 1.541 4.530 4.844 1.00 0.00 C ATOM 746 CG2 VAL A 43 1.847 2.061 5.115 1.00 0.00 C ATOM 0 H VAL A 43 1.865 1.629 7.601 1.00 0.00 H new ATOM 0 HA VAL A 43 3.369 3.771 6.731 1.00 0.00 H new ATOM 0 HB VAL A 43 0.423 3.263 6.157 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.909 4.332 3.978 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.202 5.440 5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.574 4.657 4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.207 1.909 4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.887 2.122 4.794 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.728 1.224 5.803 1.00 0.00 H new ATOM 756 N ARG A 44 0.624 4.685 8.381 1.00 0.00 N ATOM 757 CA ARG A 44 -0.041 5.761 9.112 1.00 0.00 C ATOM 758 C ARG A 44 0.701 6.187 10.388 1.00 0.00 C ATOM 759 O ARG A 44 0.713 7.372 10.726 1.00 0.00 O ATOM 760 CB ARG A 44 -1.482 5.350 9.458 1.00 0.00 C ATOM 761 CG ARG A 44 -2.118 6.216 10.530 1.00 0.00 C ATOM 762 CD ARG A 44 -3.582 5.858 10.768 1.00 0.00 C ATOM 763 NE ARG A 44 -4.098 6.427 12.017 1.00 0.00 N ATOM 764 CZ ARG A 44 -4.139 7.734 12.294 1.00 0.00 C ATOM 765 NH1 ARG A 44 -3.827 8.631 11.368 1.00 0.00 N ATOM 766 NH2 ARG A 44 -4.537 8.145 13.484 1.00 0.00 N ATOM 0 H ARG A 44 0.098 3.812 8.364 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.042 6.627 8.450 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.091 5.397 8.555 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.485 4.312 9.791 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.563 6.105 11.461 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.045 7.264 10.239 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.182 6.218 9.932 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.689 4.774 10.794 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.450 5.781 12.723 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.553 8.326 10.434 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.862 9.626 11.590 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.813 7.465 14.192 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.568 9.142 13.695 1.00 0.00 H new ATOM 780 N ASN A 45 1.289 5.243 11.113 1.00 0.00 N ATOM 781 CA ASN A 45 1.980 5.576 12.359 1.00 0.00 C ATOM 782 C ASN A 45 3.209 6.449 12.138 1.00 0.00 C ATOM 783 O ASN A 45 3.621 7.180 13.041 1.00 0.00 O ATOM 784 CB ASN A 45 2.381 4.316 13.116 1.00 0.00 C ATOM 785 CG ASN A 45 1.332 3.896 14.131 1.00 0.00 C ATOM 786 OD1 ASN A 45 0.953 4.678 15.003 1.00 0.00 O ATOM 787 ND2 ASN A 45 0.878 2.657 14.045 1.00 0.00 N ATOM 0 H ASN A 45 1.304 4.253 10.867 1.00 0.00 H new ATOM 0 HA ASN A 45 1.269 6.149 12.954 1.00 0.00 H new ATOM 0 HB2 ASN A 45 2.543 3.504 12.407 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.329 4.487 13.626 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.189 2.319 14.716 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.217 2.040 13.307 1.00 0.00 H new ATOM 794 N GLU A 46 3.794 6.378 10.948 1.00 0.00 N ATOM 795 CA GLU A 46 4.974 7.172 10.635 1.00 0.00 C ATOM 796 C GLU A 46 4.672 8.677 10.703 1.00 0.00 C ATOM 797 O GLU A 46 3.542 9.104 10.454 1.00 0.00 O ATOM 798 CB GLU A 46 5.531 6.768 9.274 1.00 0.00 C ATOM 799 CG GLU A 46 6.120 5.360 9.272 1.00 0.00 C ATOM 800 CD GLU A 46 7.062 5.115 10.448 1.00 0.00 C ATOM 801 OE1 GLU A 46 7.999 5.918 10.649 1.00 0.00 O ATOM 802 OE2 GLU A 46 6.874 4.115 11.174 1.00 0.00 O ATOM 0 H GLU A 46 3.471 5.781 10.187 1.00 0.00 H new ATOM 0 HA GLU A 46 5.736 6.971 11.388 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.737 6.826 8.529 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.301 7.480 8.975 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.310 4.631 9.303 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.660 5.197 8.339 1.00 0.00 H new ATOM 809 N PRO A 47 5.687 9.477 11.084 1.00 0.00 N ATOM 810 CA PRO A 47 5.599 10.941 11.259 1.00 0.00 C ATOM 811 C PRO A 47 4.686 11.696 10.281 1.00 0.00 C ATOM 812 O PRO A 47 3.531 11.988 10.591 1.00 0.00 O ATOM 813 CB PRO A 47 7.044 11.367 11.049 1.00 0.00 C ATOM 814 CG PRO A 47 7.851 10.254 11.620 1.00 0.00 C ATOM 815 CD PRO A 47 7.044 8.994 11.421 1.00 0.00 C ATOM 0 HA PRO A 47 5.150 11.178 12.224 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.264 11.514 9.992 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.257 12.310 11.553 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.817 10.179 11.120 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.052 10.423 12.678 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.457 8.379 10.621 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.035 8.381 12.322 1.00 0.00 H new ATOM 823 N THR A 48 5.209 12.041 9.117 1.00 0.00 N ATOM 824 CA THR A 48 4.445 12.786 8.135 1.00 0.00 C ATOM 825 C THR A 48 4.499 12.056 6.819 1.00 0.00 C ATOM 826 O THR A 48 4.947 10.910 6.787 1.00 0.00 O ATOM 827 CB THR A 48 5.028 14.200 7.946 1.00 0.00 C ATOM 828 OG1 THR A 48 6.409 14.096 7.565 1.00 0.00 O ATOM 829 CG2 THR A 48 4.921 15.020 9.225 1.00 0.00 C ATOM 0 H THR A 48 6.162 11.816 8.830 1.00 0.00 H new ATOM 0 HA THR A 48 3.416 12.875 8.484 1.00 0.00 H new ATOM 0 HB THR A 48 4.455 14.704 7.168 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.783 14.993 7.442 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.341 16.012 9.058 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.873 15.113 9.511 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.472 14.523 10.023 1.00 0.00 H new ATOM 837 N GLN A 49 4.093 12.719 5.735 1.00 0.00 N ATOM 838 CA GLN A 49 4.138 12.124 4.407 1.00 0.00 C ATOM 839 C GLN A 49 5.550 11.632 4.102 1.00 0.00 C ATOM 840 O GLN A 49 5.739 10.746 3.279 1.00 0.00 O ATOM 841 CB GLN A 49 3.677 13.119 3.345 1.00 0.00 C ATOM 842 CG GLN A 49 3.657 12.520 1.953 1.00 0.00 C ATOM 843 CD GLN A 49 3.402 13.543 0.878 1.00 0.00 C ATOM 844 OE1 GLN A 49 2.273 13.987 0.661 1.00 0.00 O ATOM 845 NE2 GLN A 49 4.467 13.954 0.224 1.00 0.00 N ATOM 0 H GLN A 49 3.729 13.672 5.756 1.00 0.00 H new ATOM 0 HA GLN A 49 3.456 11.274 4.388 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.679 13.477 3.597 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.338 13.986 3.354 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.611 12.029 1.761 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.887 11.750 1.905 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.382 13.557 0.438 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.378 14.670 -0.497 1.00 0.00 H new ATOM 854 N GLN A 50 6.521 12.187 4.820 1.00 0.00 N ATOM 855 CA GLN A 50 7.911 11.788 4.698 1.00 0.00 C ATOM 856 C GLN A 50 8.012 10.270 4.738 1.00 0.00 C ATOM 857 O GLN A 50 8.339 9.626 3.740 1.00 0.00 O ATOM 858 CB GLN A 50 8.704 12.409 5.857 1.00 0.00 C ATOM 859 CG GLN A 50 10.023 11.718 6.167 1.00 0.00 C ATOM 860 CD GLN A 50 10.474 11.969 7.593 1.00 0.00 C ATOM 861 OE1 GLN A 50 10.770 13.100 7.974 1.00 0.00 O ATOM 862 NE2 GLN A 50 10.505 10.921 8.404 1.00 0.00 N ATOM 0 H GLN A 50 6.362 12.927 5.503 1.00 0.00 H new ATOM 0 HA GLN A 50 8.322 12.136 3.750 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.903 13.455 5.623 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.083 12.395 6.753 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.918 10.645 6.003 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.789 12.072 5.477 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.253 9.997 8.053 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.781 11.039 9.379 1.00 0.00 H new ATOM 871 N GLN A 51 7.691 9.704 5.891 1.00 0.00 N ATOM 872 CA GLN A 51 7.722 8.266 6.063 1.00 0.00 C ATOM 873 C GLN A 51 6.360 7.664 5.706 1.00 0.00 C ATOM 874 O GLN A 51 6.238 6.467 5.521 1.00 0.00 O ATOM 875 CB GLN A 51 8.108 7.916 7.501 1.00 0.00 C ATOM 876 CG GLN A 51 8.867 6.601 7.627 1.00 0.00 C ATOM 877 CD GLN A 51 10.348 6.756 7.344 1.00 0.00 C ATOM 878 OE1 GLN A 51 10.741 7.273 6.301 1.00 0.00 O ATOM 879 NE2 GLN A 51 11.178 6.289 8.261 1.00 0.00 N ATOM 0 H GLN A 51 7.406 10.223 6.722 1.00 0.00 H new ATOM 0 HA GLN A 51 8.471 7.844 5.393 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.721 8.720 7.910 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.204 7.864 8.108 1.00 0.00 H new ATOM 0 HG2 GLN A 51 8.732 6.202 8.633 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.443 5.873 6.936 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.811 5.867 9.114 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.186 6.351 8.116 1.00 0.00 H new ATOM 888 N ARG A 52 5.348 8.521 5.598 1.00 0.00 N ATOM 889 CA ARG A 52 3.985 8.095 5.249 1.00 0.00 C ATOM 890 C ARG A 52 3.950 7.652 3.786 1.00 0.00 C ATOM 891 O ARG A 52 3.643 6.502 3.480 1.00 0.00 O ATOM 892 CB ARG A 52 3.002 9.250 5.471 1.00 0.00 C ATOM 893 CG ARG A 52 1.532 8.854 5.504 1.00 0.00 C ATOM 894 CD ARG A 52 1.153 8.180 6.816 1.00 0.00 C ATOM 895 NE ARG A 52 1.441 9.010 7.991 1.00 0.00 N ATOM 896 CZ ARG A 52 0.705 10.046 8.378 1.00 0.00 C ATOM 897 NH1 ARG A 52 -0.400 10.354 7.732 1.00 0.00 N ATOM 898 NH2 ARG A 52 1.073 10.761 9.424 1.00 0.00 N ATOM 0 H ARG A 52 5.443 9.525 5.748 1.00 0.00 H new ATOM 0 HA ARG A 52 3.694 7.260 5.886 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.250 9.741 6.412 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.146 9.985 4.679 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.914 9.740 5.360 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.319 8.179 4.675 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.090 7.939 6.800 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.693 7.237 6.903 1.00 0.00 H new ATOM 0 HE ARG A 52 2.262 8.776 8.549 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.694 9.796 6.930 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.962 11.150 8.033 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.922 10.518 9.935 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.509 11.557 9.722 1.00 0.00 H new ATOM 912 N ALA A 53 4.313 8.569 2.891 1.00 0.00 N ATOM 913 CA ALA A 53 4.378 8.273 1.465 1.00 0.00 C ATOM 914 C ALA A 53 5.489 7.280 1.217 1.00 0.00 C ATOM 915 O ALA A 53 5.327 6.350 0.434 1.00 0.00 O ATOM 916 CB ALA A 53 4.615 9.534 0.651 1.00 0.00 C ATOM 0 H ALA A 53 4.567 9.527 3.132 1.00 0.00 H new ATOM 0 HA ALA A 53 3.424 7.850 1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.659 9.280 -0.408 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.799 10.237 0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.557 9.991 0.954 1.00 0.00 H new ATOM 922 N ALA A 54 6.621 7.466 1.899 1.00 0.00 N ATOM 923 CA ALA A 54 7.736 6.554 1.733 1.00 0.00 C ATOM 924 C ALA A 54 7.334 5.137 2.098 1.00 0.00 C ATOM 925 O ALA A 54 7.717 4.197 1.418 1.00 0.00 O ATOM 926 CB ALA A 54 8.936 6.969 2.565 1.00 0.00 C ATOM 0 H ALA A 54 6.781 8.228 2.558 1.00 0.00 H new ATOM 0 HA ALA A 54 8.019 6.591 0.681 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.749 6.259 2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 54 9.262 7.964 2.263 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.661 6.982 3.620 1.00 0.00 H new ATOM 932 N MET A 55 6.563 4.980 3.173 1.00 0.00 N ATOM 933 CA MET A 55 6.129 3.671 3.608 1.00 0.00 C ATOM 934 C MET A 55 5.168 3.065 2.598 1.00 0.00 C ATOM 935 O MET A 55 5.317 1.909 2.223 1.00 0.00 O ATOM 936 CB MET A 55 5.494 3.778 4.991 1.00 0.00 C ATOM 937 CG MET A 55 5.182 2.431 5.618 1.00 0.00 C ATOM 938 SD MET A 55 6.624 1.350 5.721 1.00 0.00 S ATOM 939 CE MET A 55 5.875 -0.136 6.392 1.00 0.00 C ATOM 0 H MET A 55 6.230 5.750 3.754 1.00 0.00 H new ATOM 0 HA MET A 55 6.991 3.007 3.676 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.165 4.330 5.649 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.574 4.357 4.916 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.779 2.587 6.619 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.405 1.936 5.035 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.492 -0.519 7.205 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.880 0.097 6.770 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.798 -0.890 5.609 1.00 0.00 H new ATOM 949 N LEU A 56 4.207 3.858 2.137 1.00 0.00 N ATOM 950 CA LEU A 56 3.236 3.396 1.144 1.00 0.00 C ATOM 951 C LEU A 56 3.951 2.937 -0.133 1.00 0.00 C ATOM 952 O LEU A 56 3.736 1.826 -0.633 1.00 0.00 O ATOM 953 CB LEU A 56 2.265 4.532 0.801 1.00 0.00 C ATOM 954 CG LEU A 56 1.101 4.148 -0.121 1.00 0.00 C ATOM 955 CD1 LEU A 56 0.106 3.270 0.619 1.00 0.00 C ATOM 956 CD2 LEU A 56 0.409 5.389 -0.665 1.00 0.00 C ATOM 0 H LEU A 56 4.077 4.825 2.434 1.00 0.00 H new ATOM 0 HA LEU A 56 2.685 2.555 1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.855 4.929 1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.828 5.338 0.331 1.00 0.00 H new ATOM 0 HG LEU A 56 1.505 3.586 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.714 3.006 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.604 2.362 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.287 3.811 1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.413 5.091 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.020 5.981 0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.124 5.985 -1.232 1.00 0.00 H new ATOM 968 N ILE A 57 4.806 3.812 -0.648 1.00 0.00 N ATOM 969 CA ILE A 57 5.571 3.554 -1.863 1.00 0.00 C ATOM 970 C ILE A 57 6.596 2.437 -1.633 1.00 0.00 C ATOM 971 O ILE A 57 6.995 1.733 -2.564 1.00 0.00 O ATOM 972 CB ILE A 57 6.228 4.883 -2.335 1.00 0.00 C ATOM 973 CG1 ILE A 57 5.141 5.929 -2.531 1.00 0.00 C ATOM 974 CG2 ILE A 57 7.002 4.740 -3.632 1.00 0.00 C ATOM 975 CD1 ILE A 57 4.021 5.473 -3.446 1.00 0.00 C ATOM 0 H ILE A 57 4.990 4.725 -0.233 1.00 0.00 H new ATOM 0 HA ILE A 57 4.911 3.201 -2.655 1.00 0.00 H new ATOM 0 HB ILE A 57 6.939 5.179 -1.563 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.722 6.192 -1.560 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.589 6.834 -2.941 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.435 5.702 -3.905 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.799 4.008 -3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.329 4.407 -4.422 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.282 6.268 -3.540 1.00 0.00 H new ATOM 0 HD12 ILE A 57 4.428 5.237 -4.429 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.547 4.585 -3.027 1.00 0.00 H new ATOM 987 N LYS A 58 6.979 2.246 -0.369 1.00 0.00 N ATOM 988 CA LYS A 58 7.919 1.186 -0.007 1.00 0.00 C ATOM 989 C LYS A 58 7.230 -0.179 -0.057 1.00 0.00 C ATOM 990 O LYS A 58 7.838 -1.164 -0.471 1.00 0.00 O ATOM 991 CB LYS A 58 8.551 1.432 1.373 1.00 0.00 C ATOM 992 CG LYS A 58 9.482 0.318 1.827 1.00 0.00 C ATOM 993 CD LYS A 58 10.221 0.669 3.112 1.00 0.00 C ATOM 994 CE LYS A 58 11.375 1.647 2.873 1.00 0.00 C ATOM 995 NZ LYS A 58 10.930 3.068 2.829 1.00 0.00 N ATOM 0 H LYS A 58 6.654 2.809 0.417 1.00 0.00 H new ATOM 0 HA LYS A 58 8.727 1.195 -0.738 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.107 2.369 1.346 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.757 1.553 2.110 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.906 -0.594 1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.206 0.109 1.040 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.520 1.105 3.824 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.609 -0.243 3.565 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.116 1.528 3.664 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.868 1.397 1.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.997 3.423 1.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.944 3.133 3.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.538 3.641 3.448 1.00 0.00 H new ATOM 1009 N MET A 59 5.957 -0.243 0.344 1.00 0.00 N ATOM 1010 CA MET A 59 5.225 -1.514 0.297 1.00 0.00 C ATOM 1011 C MET A 59 5.144 -1.985 -1.144 1.00 0.00 C ATOM 1012 O MET A 59 5.472 -3.127 -1.465 1.00 0.00 O ATOM 1013 CB MET A 59 3.783 -1.399 0.803 1.00 0.00 C ATOM 1014 CG MET A 59 3.527 -0.347 1.857 1.00 0.00 C ATOM 1015 SD MET A 59 1.762 -0.025 2.048 1.00 0.00 S ATOM 1016 CE MET A 59 1.236 0.120 0.331 1.00 0.00 C ATOM 0 H MET A 59 5.421 0.550 0.697 1.00 0.00 H new ATOM 0 HA MET A 59 5.768 -2.206 0.941 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.136 -1.194 -0.050 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.483 -2.367 1.205 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.944 -0.674 2.809 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.040 0.576 1.585 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.325 0.716 0.279 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.020 0.605 -0.250 1.00 0.00 H new ATOM 0 HE3 MET A 59 1.044 -0.873 -0.076 1.00 0.00 H new ATOM 1026 N ILE A 60 4.694 -1.078 -2.006 1.00 0.00 N ATOM 1027 CA ILE A 60 4.547 -1.358 -3.431 1.00 0.00 C ATOM 1028 C ILE A 60 5.862 -1.841 -4.036 1.00 0.00 C ATOM 1029 O ILE A 60 5.866 -2.690 -4.925 1.00 0.00 O ATOM 1030 CB ILE A 60 4.069 -0.103 -4.181 1.00 0.00 C ATOM 1031 CG1 ILE A 60 2.776 0.420 -3.555 1.00 0.00 C ATOM 1032 CG2 ILE A 60 3.855 -0.404 -5.661 1.00 0.00 C ATOM 1033 CD1 ILE A 60 2.511 1.862 -3.876 1.00 0.00 C ATOM 0 H ILE A 60 4.422 -0.132 -1.738 1.00 0.00 H new ATOM 0 HA ILE A 60 3.803 -2.147 -3.536 1.00 0.00 H new ATOM 0 HB ILE A 60 4.840 0.663 -4.097 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.939 -0.184 -3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.827 0.298 -2.473 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.517 0.498 -6.171 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.793 -0.741 -6.103 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.102 -1.185 -5.768 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.580 2.175 -3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.331 2.475 -3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.429 1.985 -4.956 1.00 0.00 H new ATOM 1045 N LEU A 61 6.969 -1.298 -3.534 1.00 0.00 N ATOM 1046 CA LEU A 61 8.304 -1.661 -4.003 1.00 0.00 C ATOM 1047 C LEU A 61 8.507 -3.183 -4.004 1.00 0.00 C ATOM 1048 O LEU A 61 9.287 -3.707 -4.801 1.00 0.00 O ATOM 1049 CB LEU A 61 9.355 -0.989 -3.117 1.00 0.00 C ATOM 1050 CG LEU A 61 10.523 -0.317 -3.851 1.00 0.00 C ATOM 1051 CD1 LEU A 61 11.365 0.501 -2.876 1.00 0.00 C ATOM 1052 CD2 LEU A 61 11.391 -1.356 -4.551 1.00 0.00 C ATOM 0 H LEU A 61 6.966 -0.597 -2.793 1.00 0.00 H new ATOM 0 HA LEU A 61 8.412 -1.314 -5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.858 -0.238 -2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.762 -1.738 -2.438 1.00 0.00 H new ATOM 0 HG LEU A 61 10.110 0.352 -4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.189 0.971 -3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.745 1.271 -2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.763 -0.154 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.213 -0.857 -5.065 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.793 -2.051 -3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.789 -1.904 -5.276 1.00 0.00 H new ATOM 1064 N LYS A 62 7.803 -3.898 -3.125 1.00 0.00 N ATOM 1065 CA LYS A 62 7.936 -5.347 -3.082 1.00 0.00 C ATOM 1066 C LYS A 62 6.571 -6.056 -3.162 1.00 0.00 C ATOM 1067 O LYS A 62 6.365 -7.095 -2.528 1.00 0.00 O ATOM 1068 CB LYS A 62 8.676 -5.789 -1.813 1.00 0.00 C ATOM 1069 CG LYS A 62 9.285 -7.182 -1.937 1.00 0.00 C ATOM 1070 CD LYS A 62 9.517 -7.830 -0.584 1.00 0.00 C ATOM 1071 CE LYS A 62 10.051 -9.249 -0.746 1.00 0.00 C ATOM 1072 NZ LYS A 62 10.101 -9.987 0.548 1.00 0.00 N ATOM 0 H LYS A 62 7.149 -3.504 -2.448 1.00 0.00 H new ATOM 0 HA LYS A 62 8.517 -5.637 -3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.465 -5.071 -1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.984 -5.774 -0.971 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.625 -7.813 -2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.232 -7.116 -2.473 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.225 -7.234 -0.007 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.584 -7.850 -0.021 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.420 -9.794 -1.448 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.051 -9.211 -1.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.470 -10.946 0.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.724 -9.483 1.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.144 -10.048 0.950 1.00 0.00 H new ATOM 1086 N LYS A 63 5.644 -5.533 -3.963 1.00 0.00 N ATOM 1087 CA LYS A 63 4.357 -6.188 -4.114 1.00 0.00 C ATOM 1088 C LYS A 63 4.279 -6.848 -5.495 1.00 0.00 C ATOM 1089 O LYS A 63 5.235 -7.480 -5.944 1.00 0.00 O ATOM 1090 CB LYS A 63 3.195 -5.208 -3.897 1.00 0.00 C ATOM 1091 CG LYS A 63 3.008 -4.793 -2.440 1.00 0.00 C ATOM 1092 CD LYS A 63 1.697 -4.043 -2.236 1.00 0.00 C ATOM 1093 CE LYS A 63 1.541 -3.522 -0.809 1.00 0.00 C ATOM 1094 NZ LYS A 63 1.515 -4.617 0.200 1.00 0.00 N ATOM 0 H LYS A 63 5.760 -4.676 -4.504 1.00 0.00 H new ATOM 0 HA LYS A 63 4.265 -6.958 -3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.365 -4.317 -4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.273 -5.665 -4.257 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.025 -5.678 -1.804 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.841 -4.162 -2.131 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.648 -3.206 -2.933 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.863 -4.704 -2.472 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.363 -2.843 -0.582 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.620 -2.943 -0.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.717 -4.471 0.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.406 -5.532 -0.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.405 -4.614 0.738 1.00 0.00 H new ATOM 1108 N ASP A 64 3.155 -6.692 -6.170 1.00 0.00 N ATOM 1109 CA ASP A 64 2.960 -7.269 -7.496 1.00 0.00 C ATOM 1110 C ASP A 64 2.168 -6.311 -8.369 1.00 0.00 C ATOM 1111 O ASP A 64 1.619 -5.334 -7.856 1.00 0.00 O ATOM 1112 CB ASP A 64 2.248 -8.615 -7.382 1.00 0.00 C ATOM 1113 CG ASP A 64 1.102 -8.571 -6.402 1.00 0.00 C ATOM 1114 OD1 ASP A 64 0.217 -7.711 -6.556 1.00 0.00 O ATOM 1115 OD2 ASP A 64 1.099 -9.380 -5.453 1.00 0.00 O ATOM 0 H ASP A 64 2.354 -6.166 -5.821 1.00 0.00 H new ATOM 0 HA ASP A 64 3.932 -7.434 -7.961 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.875 -8.911 -8.362 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.962 -9.377 -7.070 1.00 0.00 H new ATOM 1120 N ASN A 65 2.109 -6.562 -9.678 1.00 0.00 N ATOM 1121 CA ASN A 65 1.378 -5.669 -10.563 1.00 0.00 C ATOM 1122 C ASN A 65 -0.104 -5.652 -10.216 1.00 0.00 C ATOM 1123 O ASN A 65 -0.795 -4.695 -10.527 1.00 0.00 O ATOM 1124 CB ASN A 65 1.612 -5.978 -12.059 1.00 0.00 C ATOM 1125 CG ASN A 65 1.125 -7.342 -12.521 1.00 0.00 C ATOM 1126 OD1 ASN A 65 0.025 -7.775 -12.196 1.00 0.00 O ATOM 1127 ND2 ASN A 65 1.932 -8.002 -13.335 1.00 0.00 N ATOM 0 H ASN A 65 2.550 -7.359 -10.136 1.00 0.00 H new ATOM 0 HA ASN A 65 1.777 -4.668 -10.399 1.00 0.00 H new ATOM 0 HB2 ASN A 65 1.115 -5.212 -12.654 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.679 -5.901 -12.267 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.646 -8.904 -13.716 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.840 -7.609 -13.582 1.00 0.00 H new ATOM 1134 N ASP A 66 -0.581 -6.684 -9.526 1.00 0.00 N ATOM 1135 CA ASP A 66 -1.980 -6.723 -9.114 1.00 0.00 C ATOM 1136 C ASP A 66 -2.246 -5.583 -8.129 1.00 0.00 C ATOM 1137 O ASP A 66 -3.187 -4.798 -8.303 1.00 0.00 O ATOM 1138 CB ASP A 66 -2.314 -8.077 -8.483 1.00 0.00 C ATOM 1139 CG ASP A 66 -3.806 -8.335 -8.362 1.00 0.00 C ATOM 1140 OD1 ASP A 66 -4.617 -7.459 -8.734 1.00 0.00 O ATOM 1141 OD2 ASP A 66 -4.173 -9.434 -7.895 1.00 0.00 O ATOM 0 H ASP A 66 -0.028 -7.494 -9.244 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.620 -6.596 -9.987 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.863 -8.869 -9.081 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.862 -8.129 -7.492 1.00 0.00 H new ATOM 1146 N SER A 67 -1.382 -5.454 -7.119 1.00 0.00 N ATOM 1147 CA SER A 67 -1.518 -4.366 -6.154 1.00 0.00 C ATOM 1148 C SER A 67 -1.101 -3.068 -6.804 1.00 0.00 C ATOM 1149 O SER A 67 -1.524 -1.989 -6.401 1.00 0.00 O ATOM 1150 CB SER A 67 -0.640 -4.563 -4.927 1.00 0.00 C ATOM 1151 OG SER A 67 -0.409 -5.935 -4.640 1.00 0.00 O ATOM 0 H SER A 67 -0.594 -6.079 -6.951 1.00 0.00 H new ATOM 0 HA SER A 67 -2.562 -4.350 -5.840 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.315 -4.062 -5.083 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.112 -4.089 -4.066 1.00 0.00 H new ATOM 0 HG SER A 67 0.167 -6.322 -5.332 1.00 0.00 H new ATOM 1157 N TYR A 68 -0.252 -3.185 -7.808 1.00 0.00 N ATOM 1158 CA TYR A 68 0.232 -2.025 -8.513 1.00 0.00 C ATOM 1159 C TYR A 68 -0.900 -1.395 -9.311 1.00 0.00 C ATOM 1160 O TYR A 68 -1.027 -0.178 -9.344 1.00 0.00 O ATOM 1161 CB TYR A 68 1.399 -2.405 -9.419 1.00 0.00 C ATOM 1162 CG TYR A 68 2.041 -1.234 -10.109 1.00 0.00 C ATOM 1163 CD1 TYR A 68 2.269 -0.044 -9.434 1.00 0.00 C ATOM 1164 CD2 TYR A 68 2.411 -1.318 -11.437 1.00 0.00 C ATOM 1165 CE1 TYR A 68 2.857 1.027 -10.068 1.00 0.00 C ATOM 1166 CE2 TYR A 68 3.000 -0.251 -12.075 1.00 0.00 C ATOM 1167 CZ TYR A 68 3.216 0.917 -11.388 1.00 0.00 C ATOM 1168 OH TYR A 68 3.801 1.974 -12.026 1.00 0.00 O ATOM 0 H TYR A 68 0.114 -4.074 -8.150 1.00 0.00 H new ATOM 0 HA TYR A 68 0.593 -1.292 -7.792 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.153 -2.923 -8.826 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.047 -3.110 -10.172 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.981 0.044 -8.397 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.236 -2.234 -11.982 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.034 1.947 -9.531 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.291 -0.332 -13.112 1.00 0.00 H new ATOM 0 HH TYR A 68 4.731 1.752 -12.243 1.00 0.00 H new ATOM 1178 N VAL A 69 -1.751 -2.224 -9.919 1.00 0.00 N ATOM 1179 CA VAL A 69 -2.883 -1.699 -10.662 1.00 0.00 C ATOM 1180 C VAL A 69 -3.885 -1.128 -9.658 1.00 0.00 C ATOM 1181 O VAL A 69 -4.586 -0.161 -9.938 1.00 0.00 O ATOM 1182 CB VAL A 69 -3.566 -2.751 -11.567 1.00 0.00 C ATOM 1183 CG1 VAL A 69 -4.640 -2.090 -12.406 1.00 0.00 C ATOM 1184 CG2 VAL A 69 -2.554 -3.433 -12.470 1.00 0.00 C ATOM 0 H VAL A 69 -1.676 -3.241 -9.909 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.516 -0.926 -11.337 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.019 -3.508 -10.927 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.117 -2.837 -13.041 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.387 -1.640 -11.752 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.190 -1.317 -13.030 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.061 -4.168 -13.095 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.072 -2.689 -13.103 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.801 -3.933 -11.860 1.00 0.00 H new ATOM 1194 N SER A 70 -3.887 -1.704 -8.451 1.00 0.00 N ATOM 1195 CA SER A 70 -4.735 -1.213 -7.368 1.00 0.00 C ATOM 1196 C SER A 70 -4.235 0.174 -6.971 1.00 0.00 C ATOM 1197 O SER A 70 -5.003 1.137 -6.956 1.00 0.00 O ATOM 1198 CB SER A 70 -4.695 -2.172 -6.167 1.00 0.00 C ATOM 1199 OG SER A 70 -5.228 -1.570 -4.996 1.00 0.00 O ATOM 0 H SER A 70 -3.311 -2.509 -8.203 1.00 0.00 H new ATOM 0 HA SER A 70 -5.771 -1.156 -7.700 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.260 -3.074 -6.402 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.666 -2.480 -5.982 1.00 0.00 H new ATOM 0 HG SER A 70 -6.198 -1.706 -4.971 1.00 0.00 H new ATOM 1205 N PHE A 71 -2.929 0.280 -6.694 1.00 0.00 N ATOM 1206 CA PHE A 71 -2.328 1.575 -6.358 1.00 0.00 C ATOM 1207 C PHE A 71 -2.546 2.559 -7.524 1.00 0.00 C ATOM 1208 O PHE A 71 -2.856 3.730 -7.315 1.00 0.00 O ATOM 1209 CB PHE A 71 -0.832 1.413 -6.037 1.00 0.00 C ATOM 1210 CG PHE A 71 -0.064 2.705 -6.038 1.00 0.00 C ATOM 1211 CD1 PHE A 71 -0.359 3.706 -5.125 1.00 0.00 C ATOM 1212 CD2 PHE A 71 0.965 2.911 -6.942 1.00 0.00 C ATOM 1213 CE1 PHE A 71 0.352 4.893 -5.122 1.00 0.00 C ATOM 1214 CE2 PHE A 71 1.679 4.093 -6.942 1.00 0.00 C ATOM 1215 CZ PHE A 71 1.375 5.085 -6.029 1.00 0.00 C ATOM 0 H PHE A 71 -2.277 -0.504 -6.696 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.811 1.976 -5.467 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.729 0.942 -5.059 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.386 0.736 -6.765 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.153 3.557 -4.408 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.212 2.138 -7.655 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.107 5.668 -4.411 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.475 4.242 -7.656 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.936 6.008 -6.025 1.00 0.00 H new ATOM 1225 N TYR A 72 -2.419 2.044 -8.749 1.00 0.00 N ATOM 1226 CA TYR A 72 -2.638 2.828 -9.972 1.00 0.00 C ATOM 1227 C TYR A 72 -4.050 3.401 -9.980 1.00 0.00 C ATOM 1228 O TYR A 72 -4.264 4.596 -10.188 1.00 0.00 O ATOM 1229 CB TYR A 72 -2.450 1.914 -11.190 1.00 0.00 C ATOM 1230 CG TYR A 72 -3.005 2.446 -12.499 1.00 0.00 C ATOM 1231 CD1 TYR A 72 -2.424 3.530 -13.141 1.00 0.00 C ATOM 1232 CD2 TYR A 72 -4.100 1.840 -13.100 1.00 0.00 C ATOM 1233 CE1 TYR A 72 -2.925 4.001 -14.342 1.00 0.00 C ATOM 1234 CE2 TYR A 72 -4.607 2.302 -14.302 1.00 0.00 C ATOM 1235 CZ TYR A 72 -4.014 3.384 -14.919 1.00 0.00 C ATOM 1236 OH TYR A 72 -4.514 3.850 -16.119 1.00 0.00 O ATOM 0 H TYR A 72 -2.162 1.073 -8.924 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.923 3.650 -10.008 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.384 1.723 -11.318 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.922 0.955 -10.979 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.567 4.014 -12.696 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.565 0.992 -12.620 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.464 4.850 -14.826 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.461 1.819 -14.754 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.281 3.303 -16.388 1.00 0.00 H new ATOM 1246 N ASN A 73 -5.001 2.515 -9.746 1.00 0.00 N ATOM 1247 CA ASN A 73 -6.419 2.851 -9.706 1.00 0.00 C ATOM 1248 C ASN A 73 -6.718 3.835 -8.573 1.00 0.00 C ATOM 1249 O ASN A 73 -7.620 4.668 -8.674 1.00 0.00 O ATOM 1250 CB ASN A 73 -7.224 1.564 -9.539 1.00 0.00 C ATOM 1251 CG ASN A 73 -8.719 1.789 -9.497 1.00 0.00 C ATOM 1252 OD1 ASN A 73 -9.277 2.513 -10.318 1.00 0.00 O ATOM 1253 ND2 ASN A 73 -9.373 1.130 -8.562 1.00 0.00 N ATOM 0 H ASN A 73 -4.811 1.527 -9.576 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.703 3.339 -10.639 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.989 0.889 -10.362 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.913 1.067 -8.620 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.388 1.209 -8.497 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.864 0.541 -7.903 1.00 0.00 H new ATOM 1260 N ALA A 74 -5.937 3.752 -7.504 1.00 0.00 N ATOM 1261 CA ALA A 74 -6.095 4.647 -6.371 1.00 0.00 C ATOM 1262 C ALA A 74 -5.625 6.048 -6.746 1.00 0.00 C ATOM 1263 O ALA A 74 -6.178 7.038 -6.280 1.00 0.00 O ATOM 1264 CB ALA A 74 -5.331 4.125 -5.168 1.00 0.00 C ATOM 0 H ALA A 74 -5.185 3.070 -7.400 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.151 4.694 -6.103 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.461 4.809 -4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.710 3.140 -4.895 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.272 4.051 -5.414 1.00 0.00 H new ATOM 1270 N LEU A 75 -4.623 6.125 -7.620 1.00 0.00 N ATOM 1271 CA LEU A 75 -4.116 7.413 -8.088 1.00 0.00 C ATOM 1272 C LEU A 75 -5.211 8.110 -8.892 1.00 0.00 C ATOM 1273 O LEU A 75 -5.434 9.313 -8.751 1.00 0.00 O ATOM 1274 CB LEU A 75 -2.860 7.219 -8.952 1.00 0.00 C ATOM 1275 CG LEU A 75 -1.617 6.699 -8.220 1.00 0.00 C ATOM 1276 CD1 LEU A 75 -0.610 6.134 -9.210 1.00 0.00 C ATOM 1277 CD2 LEU A 75 -0.968 7.798 -7.400 1.00 0.00 C ATOM 0 H LEU A 75 -4.148 5.314 -8.017 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.841 8.028 -7.231 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.100 6.525 -9.757 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.611 8.173 -9.417 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.937 5.905 -7.546 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.265 5.770 -8.671 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.065 5.311 -9.762 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.308 6.915 -9.907 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.089 7.402 -6.891 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.670 8.615 -8.057 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.678 8.168 -6.661 1.00 0.00 H new ATOM 1289 N LEU A 76 -5.920 7.319 -9.702 1.00 0.00 N ATOM 1290 CA LEU A 76 -7.033 7.818 -10.508 1.00 0.00 C ATOM 1291 C LEU A 76 -8.168 8.280 -9.601 1.00 0.00 C ATOM 1292 O LEU A 76 -8.953 9.156 -9.964 1.00 0.00 O ATOM 1293 CB LEU A 76 -7.556 6.719 -11.448 1.00 0.00 C ATOM 1294 CG LEU A 76 -7.034 6.768 -12.881 1.00 0.00 C ATOM 1295 CD1 LEU A 76 -5.538 6.554 -12.922 1.00 0.00 C ATOM 1296 CD2 LEU A 76 -7.739 5.732 -13.732 1.00 0.00 C ATOM 0 H LEU A 76 -5.739 6.322 -9.816 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.673 8.657 -11.104 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.300 5.749 -11.021 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.644 6.778 -11.475 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.244 7.758 -13.285 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.193 6.594 -13.955 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.043 7.334 -12.344 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.298 5.579 -12.497 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.357 5.778 -14.752 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.558 4.739 -13.321 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.810 5.933 -13.736 1.00 0.00 H new ATOM 1308 N HIS A 77 -8.244 7.669 -8.421 1.00 0.00 N ATOM 1309 CA HIS A 77 -9.276 7.981 -7.450 1.00 0.00 C ATOM 1310 C HIS A 77 -9.098 9.372 -6.857 1.00 0.00 C ATOM 1311 O HIS A 77 -10.082 10.054 -6.559 1.00 0.00 O ATOM 1312 CB HIS A 77 -9.289 6.926 -6.336 1.00 0.00 C ATOM 1313 CG HIS A 77 -10.483 6.020 -6.392 1.00 0.00 C ATOM 1314 ND1 HIS A 77 -11.786 6.467 -6.288 1.00 0.00 N ATOM 1315 CD2 HIS A 77 -10.566 4.675 -6.539 1.00 0.00 C ATOM 1316 CE1 HIS A 77 -12.612 5.440 -6.368 1.00 0.00 C ATOM 1317 NE2 HIS A 77 -11.899 4.343 -6.520 1.00 0.00 N ATOM 0 H HIS A 77 -7.591 6.947 -8.117 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.233 7.968 -7.971 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.382 6.325 -6.403 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -9.268 7.428 -5.369 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.738 3.991 -6.650 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -13.690 5.491 -6.317 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -12.276 3.399 -6.609 1.00 0.00 H new ATOM 1326 N GLU A 78 -7.853 9.792 -6.673 1.00 0.00 N ATOM 1327 CA GLU A 78 -7.587 11.101 -6.087 1.00 0.00 C ATOM 1328 C GLU A 78 -7.013 12.094 -7.099 1.00 0.00 C ATOM 1329 O GLU A 78 -6.162 12.922 -6.767 1.00 0.00 O ATOM 1330 CB GLU A 78 -6.657 10.954 -4.879 1.00 0.00 C ATOM 1331 CG GLU A 78 -7.232 10.083 -3.776 1.00 0.00 C ATOM 1332 CD GLU A 78 -8.618 10.517 -3.355 1.00 0.00 C ATOM 1333 OE1 GLU A 78 -8.783 11.680 -2.942 1.00 0.00 O ATOM 1334 OE2 GLU A 78 -9.549 9.688 -3.434 1.00 0.00 O ATOM 0 H GLU A 78 -7.021 9.254 -6.917 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.542 11.512 -5.759 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.709 10.530 -5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.440 11.943 -4.475 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.267 9.048 -4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.568 10.112 -2.912 1.00 0.00 H new ATOM 1341 N GLY A 79 -7.530 12.040 -8.321 1.00 0.00 N ATOM 1342 CA GLY A 79 -7.123 12.965 -9.366 1.00 0.00 C ATOM 1343 C GLY A 79 -5.649 12.932 -9.764 1.00 0.00 C ATOM 1344 O GLY A 79 -5.184 13.854 -10.430 1.00 0.00 O ATOM 0 H GLY A 79 -8.234 11.362 -8.611 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.722 12.762 -10.254 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.367 13.977 -9.041 1.00 0.00 H new ATOM 1348 N TYR A 80 -4.912 11.889 -9.404 1.00 0.00 N ATOM 1349 CA TYR A 80 -3.504 11.799 -9.792 1.00 0.00 C ATOM 1350 C TYR A 80 -3.368 10.843 -10.971 1.00 0.00 C ATOM 1351 O TYR A 80 -2.635 9.846 -10.935 1.00 0.00 O ATOM 1352 CB TYR A 80 -2.630 11.369 -8.612 1.00 0.00 C ATOM 1353 CG TYR A 80 -2.469 12.444 -7.555 1.00 0.00 C ATOM 1354 CD1 TYR A 80 -2.862 13.755 -7.799 1.00 0.00 C ATOM 1355 CD2 TYR A 80 -1.910 12.149 -6.324 1.00 0.00 C ATOM 1356 CE1 TYR A 80 -2.704 14.738 -6.843 1.00 0.00 C ATOM 1357 CE2 TYR A 80 -1.749 13.125 -5.366 1.00 0.00 C ATOM 1358 CZ TYR A 80 -2.147 14.415 -5.628 1.00 0.00 C ATOM 1359 OH TYR A 80 -1.979 15.382 -4.668 1.00 0.00 O ATOM 0 H TYR A 80 -5.256 11.103 -8.852 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.153 12.785 -10.098 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.065 10.481 -8.153 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.645 11.086 -8.984 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -3.299 14.009 -8.754 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -1.595 11.138 -6.111 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -3.015 15.752 -7.047 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.311 12.878 -4.410 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.676 16.064 -4.765 1.00 0.00 H new ATOM 1369 N LYS A 81 -4.118 11.164 -12.015 1.00 0.00 N ATOM 1370 CA LYS A 81 -4.158 10.371 -13.231 1.00 0.00 C ATOM 1371 C LYS A 81 -2.925 10.617 -14.102 1.00 0.00 C ATOM 1372 O LYS A 81 -2.660 9.855 -15.024 1.00 0.00 O ATOM 1373 CB LYS A 81 -5.446 10.702 -13.989 1.00 0.00 C ATOM 1374 CG LYS A 81 -6.678 10.618 -13.101 1.00 0.00 C ATOM 1375 CD LYS A 81 -7.898 11.233 -13.761 1.00 0.00 C ATOM 1376 CE LYS A 81 -9.037 11.367 -12.765 1.00 0.00 C ATOM 1377 NZ LYS A 81 -10.218 12.067 -13.337 1.00 0.00 N ATOM 0 H LYS A 81 -4.719 11.988 -12.041 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.149 9.313 -12.970 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.371 11.706 -14.407 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.558 10.015 -14.827 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.882 9.574 -12.863 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.480 11.128 -12.158 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.644 12.213 -14.165 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.214 10.614 -14.601 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.336 10.375 -12.426 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.686 11.912 -11.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.966 12.132 -12.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.943 13.024 -13.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.573 11.535 -14.157 1.00 0.00 H new ATOM 1391 N ASP A 82 -2.167 11.669 -13.807 1.00 0.00 N ATOM 1392 CA ASP A 82 -0.960 11.974 -14.579 1.00 0.00 C ATOM 1393 C ASP A 82 0.189 11.078 -14.139 1.00 0.00 C ATOM 1394 O ASP A 82 0.861 10.473 -14.975 1.00 0.00 O ATOM 1395 CB ASP A 82 -0.583 13.456 -14.449 1.00 0.00 C ATOM 1396 CG ASP A 82 -1.567 14.380 -15.153 1.00 0.00 C ATOM 1397 OD1 ASP A 82 -2.564 13.885 -15.724 1.00 0.00 O ATOM 1398 OD2 ASP A 82 -1.353 15.606 -15.141 1.00 0.00 O ATOM 0 H ASP A 82 -2.362 12.321 -13.047 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.166 11.777 -15.631 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.534 13.722 -13.393 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.413 13.610 -14.863 1.00 0.00 H new ATOM 1403 N LEU A 83 0.388 10.956 -12.831 1.00 0.00 N ATOM 1404 CA LEU A 83 1.432 10.083 -12.305 1.00 0.00 C ATOM 1405 C LEU A 83 1.091 8.657 -12.719 1.00 0.00 C ATOM 1406 O LEU A 83 1.939 7.918 -13.208 1.00 0.00 O ATOM 1407 CB LEU A 83 1.516 10.193 -10.780 1.00 0.00 C ATOM 1408 CG LEU A 83 2.900 9.944 -10.139 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.501 8.601 -10.539 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.878 11.053 -10.488 1.00 0.00 C ATOM 0 H LEU A 83 -0.155 11.446 -12.120 1.00 0.00 H new ATOM 0 HA LEU A 83 2.403 10.375 -12.704 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.183 11.190 -10.492 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.809 9.484 -10.349 1.00 0.00 H new ATOM 0 HG LEU A 83 2.731 9.932 -9.062 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.472 8.480 -10.060 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.837 7.797 -10.222 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.624 8.565 -11.621 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.842 10.848 -10.022 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.001 11.102 -11.570 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.494 12.005 -10.123 1.00 0.00 H new ATOM 1422 N ALA A 84 -0.176 8.300 -12.551 1.00 0.00 N ATOM 1423 CA ALA A 84 -0.661 6.976 -12.936 1.00 0.00 C ATOM 1424 C ALA A 84 -0.517 6.754 -14.445 1.00 0.00 C ATOM 1425 O ALA A 84 -0.282 5.634 -14.885 1.00 0.00 O ATOM 1426 CB ALA A 84 -2.111 6.809 -12.514 1.00 0.00 C ATOM 0 H ALA A 84 -0.890 8.909 -12.150 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.054 6.228 -12.426 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.463 5.819 -12.805 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.190 6.918 -11.432 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.722 7.569 -13.001 1.00 0.00 H new ATOM 1432 N ALA A 85 -0.635 7.821 -15.240 1.00 0.00 N ATOM 1433 CA ALA A 85 -0.481 7.701 -16.690 1.00 0.00 C ATOM 1434 C ALA A 85 0.947 7.317 -17.002 1.00 0.00 C ATOM 1435 O ALA A 85 1.210 6.527 -17.908 1.00 0.00 O ATOM 1436 CB ALA A 85 -0.867 8.994 -17.399 1.00 0.00 C ATOM 0 H ALA A 85 -0.834 8.765 -14.909 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.154 6.925 -17.056 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.741 8.871 -18.475 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.908 9.232 -17.180 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.228 9.805 -17.050 1.00 0.00 H new ATOM 1442 N LEU A 86 1.863 7.843 -16.202 1.00 0.00 N ATOM 1443 CA LEU A 86 3.275 7.517 -16.348 1.00 0.00 C ATOM 1444 C LEU A 86 3.475 6.018 -16.126 1.00 0.00 C ATOM 1445 O LEU A 86 4.355 5.394 -16.714 1.00 0.00 O ATOM 1446 CB LEU A 86 4.113 8.279 -15.315 1.00 0.00 C ATOM 1447 CG LEU A 86 4.012 9.800 -15.364 1.00 0.00 C ATOM 1448 CD1 LEU A 86 4.632 10.424 -14.123 1.00 0.00 C ATOM 1449 CD2 LEU A 86 4.687 10.320 -16.608 1.00 0.00 C ATOM 0 H LEU A 86 1.655 8.496 -15.447 1.00 0.00 H new ATOM 0 HA LEU A 86 3.594 7.800 -17.351 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.817 7.947 -14.320 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.158 8.000 -15.447 1.00 0.00 H new ATOM 0 HG LEU A 86 2.958 10.077 -15.390 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.548 11.509 -14.181 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.109 10.066 -13.236 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.684 10.144 -14.062 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.611 11.407 -16.636 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.738 10.030 -16.600 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.201 9.899 -17.488 1.00 0.00 H new ATOM 1461 N LEU A 87 2.651 5.467 -15.240 1.00 0.00 N ATOM 1462 CA LEU A 87 2.715 4.057 -14.876 1.00 0.00 C ATOM 1463 C LEU A 87 1.883 3.192 -15.818 1.00 0.00 C ATOM 1464 O LEU A 87 2.058 1.977 -15.867 1.00 0.00 O ATOM 1465 CB LEU A 87 2.198 3.853 -13.455 1.00 0.00 C ATOM 1466 CG LEU A 87 2.418 5.008 -12.470 1.00 0.00 C ATOM 1467 CD1 LEU A 87 2.076 4.564 -11.057 1.00 0.00 C ATOM 1468 CD2 LEU A 87 3.852 5.509 -12.525 1.00 0.00 C ATOM 0 H LEU A 87 1.920 5.987 -14.754 1.00 0.00 H new ATOM 0 HA LEU A 87 3.760 3.757 -14.948 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.128 3.650 -13.508 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.672 2.961 -13.045 1.00 0.00 H new ATOM 0 HG LEU A 87 1.759 5.828 -12.758 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.236 5.392 -10.367 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.032 4.254 -11.016 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.715 3.727 -10.774 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.979 6.328 -11.816 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.531 4.697 -12.266 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.076 5.862 -13.532 1.00 0.00 H new ATOM 1480 N HIS A 88 0.974 3.833 -16.550 1.00 0.00 N ATOM 1481 CA HIS A 88 0.081 3.158 -17.498 1.00 0.00 C ATOM 1482 C HIS A 88 0.884 2.384 -18.538 1.00 0.00 C ATOM 1483 O HIS A 88 0.381 1.448 -19.160 1.00 0.00 O ATOM 1484 CB HIS A 88 -0.801 4.197 -18.191 1.00 0.00 C ATOM 1485 CG HIS A 88 -2.073 3.649 -18.765 1.00 0.00 C ATOM 1486 ND1 HIS A 88 -2.883 4.385 -19.597 1.00 0.00 N ATOM 1487 CD2 HIS A 88 -2.691 2.451 -18.603 1.00 0.00 C ATOM 1488 CE1 HIS A 88 -3.941 3.668 -19.925 1.00 0.00 C ATOM 1489 NE2 HIS A 88 -3.848 2.490 -19.339 1.00 0.00 N ATOM 0 H HIS A 88 0.833 4.842 -16.504 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.543 2.451 -16.951 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.048 4.981 -17.475 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.228 4.666 -18.991 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.338 1.623 -18.007 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.748 3.991 -20.566 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.526 1.732 -19.420 1.00 0.00 H new ATOM 1498 N ASP A 89 2.139 2.778 -18.692 1.00 0.00 N ATOM 1499 CA ASP A 89 3.051 2.125 -19.634 1.00 0.00 C ATOM 1500 C ASP A 89 3.395 0.714 -19.154 1.00 0.00 C ATOM 1501 O ASP A 89 3.811 -0.141 -19.936 1.00 0.00 O ATOM 1502 CB ASP A 89 4.333 2.956 -19.795 1.00 0.00 C ATOM 1503 CG ASP A 89 5.334 2.346 -20.768 1.00 0.00 C ATOM 1504 OD1 ASP A 89 4.971 2.123 -21.942 1.00 0.00 O ATOM 1505 OD2 ASP A 89 6.492 2.114 -20.372 1.00 0.00 O ATOM 0 H ASP A 89 2.556 3.552 -18.175 1.00 0.00 H new ATOM 0 HA ASP A 89 2.555 2.052 -20.602 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.068 3.956 -20.138 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.808 3.069 -18.821 1.00 0.00 H new ATOM 1510 N GLY A 90 3.208 0.474 -17.861 1.00 0.00 N ATOM 1511 CA GLY A 90 3.494 -0.827 -17.297 1.00 0.00 C ATOM 1512 C GLY A 90 2.260 -1.516 -16.747 1.00 0.00 C ATOM 1513 O GLY A 90 2.300 -2.703 -16.435 1.00 0.00 O ATOM 0 H GLY A 90 2.862 1.162 -17.193 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.945 -1.458 -18.063 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.229 -0.718 -16.500 1.00 0.00 H new ATOM 1517 N ILE A 91 1.161 -0.774 -16.626 1.00 0.00 N ATOM 1518 CA ILE A 91 -0.080 -1.336 -16.116 1.00 0.00 C ATOM 1519 C ILE A 91 -0.703 -2.280 -17.153 1.00 0.00 C ATOM 1520 O ILE A 91 -0.978 -1.878 -18.282 1.00 0.00 O ATOM 1521 CB ILE A 91 -1.083 -0.227 -15.728 1.00 0.00 C ATOM 1522 CG1 ILE A 91 -0.467 0.692 -14.671 1.00 0.00 C ATOM 1523 CG2 ILE A 91 -2.380 -0.825 -15.208 1.00 0.00 C ATOM 1524 CD1 ILE A 91 0.001 -0.024 -13.420 1.00 0.00 C ATOM 0 H ILE A 91 1.108 0.214 -16.874 1.00 0.00 H new ATOM 0 HA ILE A 91 0.155 -1.904 -15.216 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.310 0.356 -16.621 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.379 1.218 -15.112 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.201 1.447 -14.390 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.069 -0.024 -14.942 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.829 -1.448 -15.981 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.173 -1.433 -14.327 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.424 0.700 -12.723 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.844 -0.528 -12.951 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.760 -0.760 -13.684 1.00 0.00 H new ATOM 1536 N PRO A 92 -0.895 -3.560 -16.783 1.00 0.00 N ATOM 1537 CA PRO A 92 -1.446 -4.600 -17.682 1.00 0.00 C ATOM 1538 C PRO A 92 -2.895 -4.374 -18.137 1.00 0.00 C ATOM 1539 O PRO A 92 -3.446 -5.197 -18.871 1.00 0.00 O ATOM 1540 CB PRO A 92 -1.364 -5.882 -16.841 1.00 0.00 C ATOM 1541 CG PRO A 92 -0.395 -5.577 -15.751 1.00 0.00 C ATOM 1542 CD PRO A 92 -0.550 -4.113 -15.467 1.00 0.00 C ATOM 0 HA PRO A 92 -0.883 -4.616 -18.615 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.340 -6.150 -16.436 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.026 -6.726 -17.443 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.605 -6.172 -14.863 1.00 0.00 H new ATOM 0 HG3 PRO A 92 0.625 -5.810 -16.057 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.332 -3.924 -14.732 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.369 -3.678 -15.074 1.00 0.00 H new ATOM 1550 N VAL A 93 -3.514 -3.276 -17.726 1.00 0.00 N ATOM 1551 CA VAL A 93 -4.885 -3.003 -18.136 1.00 0.00 C ATOM 1552 C VAL A 93 -4.991 -1.719 -18.947 1.00 0.00 C ATOM 1553 O VAL A 93 -4.841 -0.608 -18.428 1.00 0.00 O ATOM 1554 CB VAL A 93 -5.876 -2.966 -16.944 1.00 0.00 C ATOM 1555 CG1 VAL A 93 -6.043 -4.356 -16.352 1.00 0.00 C ATOM 1556 CG2 VAL A 93 -5.429 -1.989 -15.868 1.00 0.00 C ATOM 0 H VAL A 93 -3.098 -2.570 -17.119 1.00 0.00 H new ATOM 0 HA VAL A 93 -5.171 -3.840 -18.773 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.836 -2.621 -17.327 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.741 -4.314 -15.516 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.430 -5.032 -17.114 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.078 -4.720 -16.000 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.150 -1.993 -15.051 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.451 -2.286 -15.490 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.365 -0.986 -16.291 1.00 0.00 H new ATOM 1566 N VAL A 94 -5.246 -1.889 -20.229 1.00 0.00 N ATOM 1567 CA VAL A 94 -5.389 -0.781 -21.149 1.00 0.00 C ATOM 1568 C VAL A 94 -6.340 -1.172 -22.280 1.00 0.00 C ATOM 1569 O VAL A 94 -5.931 -1.582 -23.368 1.00 0.00 O ATOM 1570 CB VAL A 94 -4.021 -0.301 -21.699 1.00 0.00 C ATOM 1571 CG1 VAL A 94 -3.218 -1.443 -22.309 1.00 0.00 C ATOM 1572 CG2 VAL A 94 -4.203 0.831 -22.701 1.00 0.00 C ATOM 0 H VAL A 94 -5.360 -2.805 -20.663 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.814 0.063 -20.605 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.450 0.079 -20.852 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.267 -1.061 -22.681 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.031 -2.203 -21.550 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.780 -1.883 -23.133 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.229 1.149 -23.071 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.813 0.484 -23.535 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.698 1.671 -22.215 1.00 0.00 H new ATOM 1582 N SER A 95 -7.629 -1.072 -21.991 1.00 0.00 N ATOM 1583 CA SER A 95 -8.659 -1.431 -22.952 1.00 0.00 C ATOM 1584 C SER A 95 -8.958 -0.274 -23.902 1.00 0.00 C ATOM 1585 O SER A 95 -8.516 -0.274 -25.050 1.00 0.00 O ATOM 1586 CB SER A 95 -9.928 -1.854 -22.213 1.00 0.00 C ATOM 1587 OG SER A 95 -9.622 -2.778 -21.179 1.00 0.00 O ATOM 0 H SER A 95 -7.987 -0.744 -21.094 1.00 0.00 H new ATOM 0 HA SER A 95 -8.295 -2.266 -23.551 1.00 0.00 H new ATOM 0 HB2 SER A 95 -10.418 -0.977 -21.790 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.630 -2.305 -22.914 1.00 0.00 H new ATOM 0 HG SER A 95 -10.446 -3.036 -20.716 1.00 0.00 H new ATOM 1593 N SER A 96 -9.702 0.714 -23.421 1.00 0.00 N ATOM 1594 CA SER A 96 -10.047 1.867 -24.238 1.00 0.00 C ATOM 1595 C SER A 96 -9.505 3.147 -23.601 1.00 0.00 C ATOM 1596 O SER A 96 -8.953 4.011 -24.282 1.00 0.00 O ATOM 1597 CB SER A 96 -11.566 1.970 -24.384 1.00 0.00 C ATOM 1598 OG SER A 96 -12.166 0.690 -24.525 1.00 0.00 O ATOM 0 H SER A 96 -10.076 0.739 -22.472 1.00 0.00 H new ATOM 0 HA SER A 96 -9.599 1.742 -25.224 1.00 0.00 H new ATOM 0 HB2 SER A 96 -11.983 2.474 -23.512 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.808 2.583 -25.252 1.00 0.00 H new ATOM 0 HG SER A 96 -13.137 0.792 -24.614 1.00 0.00 H new ATOM 1604 N SER A 97 -9.665 3.257 -22.289 1.00 0.00 N ATOM 1605 CA SER A 97 -9.197 4.424 -21.553 1.00 0.00 C ATOM 1606 C SER A 97 -8.210 4.018 -20.464 1.00 0.00 C ATOM 1607 O SER A 97 -8.495 3.044 -19.737 1.00 0.00 O ATOM 1608 CB SER A 97 -10.384 5.172 -20.945 1.00 0.00 C ATOM 1609 OG SER A 97 -11.315 5.545 -21.952 1.00 0.00 O ATOM 1610 OXT SER A 97 -7.140 4.656 -20.362 1.00 0.00 O ATOM 0 H SER A 97 -10.117 2.549 -21.710 1.00 0.00 H new ATOM 0 HA SER A 97 -8.681 5.086 -22.248 1.00 0.00 H new ATOM 0 HB2 SER A 97 -10.876 4.542 -20.204 1.00 0.00 H new ATOM 0 HB3 SER A 97 -10.031 6.061 -20.423 1.00 0.00 H new ATOM 0 HG SER A 97 -12.067 6.021 -21.542 1.00 0.00 H new TER 1616 SER A 97