USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 574 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 24 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.112) USER MOD Set 1.2: A 46 ASN : amide:sc= -0.284 K(o=-0.28,f=-1.9!) USER MOD Set 2.1: A 31 THR OG1 : rot -140:sc= 0.0881 USER MOD Set 2.2: A 37 GLN : amide:sc= -3.87! C(o=-3.8!,f=-4!) USER MOD Set 3.1: A 25 HIS : no HD1:sc= -6.88! C(o=-6.8!,f=-9.5!) USER MOD Set 3.2: A 27 LYS NZ :NH3+ 146:sc= 0.0587 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ 140:sc= -0.47 (180deg=-2.24!) USER MOD Single : A 1 LYS NZ :NH3+ -146:sc= -0.204 (180deg=-1.14) USER MOD Single : A 4 SER OG : rot 29:sc= 1.18 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.00288 USER MOD Single : A 17 HIS : no HE2:sc= 1.01 K(o=1,f=-3.8!) USER MOD Single : A 22 ASN : amide:sc= -1.25 K(o=-1.2,f=-11!) USER MOD Single : A 30 ASN : amide:sc= -0.0605 K(o=-0.061,f=-1.5!) USER MOD Single : A 33 ASN : amide:sc= -0.0602 X(o=-0.06,f=-0.3) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0296 X(o=-0.03,f=-0.18) USER MOD Single : A 45 ASN : amide:sc= -1.81 K(o=-1.8,f=-0.068) USER MOD Single : A 48 GLN : amide:sc= -0.0945 K(o=-0.094,f=-1.5!) USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0547) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.56) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.099 -19.848 -3.204 1.00 0.00 N ATOM 2 CA LYS A 1 -7.574 -19.822 -2.978 1.00 0.00 C ATOM 3 C LYS A 1 -8.149 -21.233 -3.154 1.00 0.00 C ATOM 4 O LYS A 1 -8.679 -21.566 -4.214 1.00 0.00 O ATOM 5 CB LYS A 1 -8.235 -18.867 -3.981 1.00 0.00 C ATOM 6 CG LYS A 1 -7.840 -19.256 -5.409 1.00 0.00 C ATOM 7 CD LYS A 1 -7.834 -18.007 -6.293 1.00 0.00 C ATOM 8 CE LYS A 1 -6.444 -17.368 -6.263 1.00 0.00 C ATOM 9 NZ LYS A 1 -6.400 -16.325 -5.199 1.00 0.00 N ATOM 0 H1 LYS A 1 -5.815 -19.002 -3.737 1.00 0.00 H new ATOM 0 H2 LYS A 1 -5.608 -19.861 -2.288 1.00 0.00 H new ATOM 0 H3 LYS A 1 -5.846 -20.699 -3.745 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.775 -19.475 -1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -9.319 -18.904 -3.871 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -7.928 -17.841 -3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.854 -19.721 -5.411 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.541 -19.991 -5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.103 -18.271 -7.316 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -8.581 -17.295 -5.941 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.686 -18.128 -6.073 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -6.215 -16.924 -7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.781 -15.546 -5.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -7.359 -15.959 -5.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -6.030 -16.741 -4.321 1.00 0.00 H new ATOM 25 N PRO A 2 -8.055 -22.085 -2.118 1.00 0.00 N ATOM 26 CA PRO A 2 -8.574 -23.466 -2.176 1.00 0.00 C ATOM 27 C PRO A 2 -10.055 -23.560 -1.804 1.00 0.00 C ATOM 28 O PRO A 2 -10.455 -24.413 -1.011 1.00 0.00 O ATOM 29 CB PRO A 2 -7.717 -24.182 -1.139 1.00 0.00 C ATOM 30 CG PRO A 2 -7.223 -23.123 -0.160 1.00 0.00 C ATOM 31 CD PRO A 2 -7.427 -21.754 -0.816 1.00 0.00 C ATOM 0 HA PRO A 2 -8.518 -23.887 -3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.297 -24.946 -0.621 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -6.877 -24.688 -1.616 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.773 -23.183 0.779 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -6.171 -23.281 0.076 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.068 -21.111 -0.213 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -6.482 -21.227 -0.948 1.00 0.00 H new ATOM 39 N VAL A 3 -10.865 -22.676 -2.385 1.00 0.00 N ATOM 40 CA VAL A 3 -12.301 -22.670 -2.109 1.00 0.00 C ATOM 41 C VAL A 3 -12.561 -22.465 -0.615 1.00 0.00 C ATOM 42 O VAL A 3 -13.010 -23.373 0.088 1.00 0.00 O ATOM 43 CB VAL A 3 -12.938 -23.988 -2.560 1.00 0.00 C ATOM 44 CG1 VAL A 3 -14.460 -23.892 -2.437 1.00 0.00 C ATOM 45 CG2 VAL A 3 -12.565 -24.262 -4.020 1.00 0.00 C ATOM 0 H VAL A 3 -10.556 -21.961 -3.044 1.00 0.00 H new ATOM 0 HA VAL A 3 -12.748 -21.846 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 3 -12.573 -24.799 -1.930 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -14.911 -24.831 -2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -14.730 -23.697 -1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -14.825 -23.080 -3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -13.018 -25.200 -4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -12.930 -23.449 -4.648 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.481 -24.333 -4.112 1.00 0.00 H new ATOM 55 N SER A 4 -12.271 -21.258 -0.135 1.00 0.00 N ATOM 56 CA SER A 4 -12.475 -20.941 1.276 1.00 0.00 C ATOM 57 C SER A 4 -12.120 -19.487 1.555 1.00 0.00 C ATOM 58 O SER A 4 -12.991 -18.653 1.803 1.00 0.00 O ATOM 59 CB SER A 4 -11.614 -21.846 2.160 1.00 0.00 C ATOM 60 OG SER A 4 -12.337 -23.033 2.462 1.00 0.00 O ATOM 0 H SER A 4 -11.898 -20.491 -0.695 1.00 0.00 H new ATOM 0 HA SER A 4 -13.527 -21.106 1.507 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.683 -22.093 1.650 1.00 0.00 H new ATOM 0 HB3 SER A 4 -11.345 -21.326 3.080 1.00 0.00 H new ATOM 0 HG SER A 4 -12.956 -23.234 1.729 1.00 0.00 H new ATOM 66 N LEU A 5 -10.828 -19.197 1.515 1.00 0.00 N ATOM 67 CA LEU A 5 -10.347 -17.842 1.768 1.00 0.00 C ATOM 68 C LEU A 5 -10.795 -16.900 0.656 1.00 0.00 C ATOM 69 O LEU A 5 -10.337 -16.998 -0.483 1.00 0.00 O ATOM 70 CB LEU A 5 -8.820 -17.822 1.852 1.00 0.00 C ATOM 71 CG LEU A 5 -8.377 -16.728 2.825 1.00 0.00 C ATOM 72 CD1 LEU A 5 -8.212 -17.325 4.224 1.00 0.00 C ATOM 73 CD2 LEU A 5 -7.041 -16.144 2.360 1.00 0.00 C ATOM 0 H LEU A 5 -10.095 -19.876 1.311 1.00 0.00 H new ATOM 0 HA LEU A 5 -10.767 -17.509 2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.451 -18.792 2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.393 -17.641 0.866 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.130 -15.940 2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.896 -16.545 4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.163 -17.743 4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.459 -18.113 4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.724 -15.364 3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.289 -16.933 2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.157 -15.719 1.363 1.00 0.00 H new ATOM 85 N SER A 6 -11.695 -15.982 0.999 1.00 0.00 N ATOM 86 CA SER A 6 -12.198 -15.020 0.023 1.00 0.00 C ATOM 87 C SER A 6 -11.100 -14.034 -0.361 1.00 0.00 C ATOM 88 O SER A 6 -10.547 -13.336 0.489 1.00 0.00 O ATOM 89 CB SER A 6 -13.386 -14.246 0.595 1.00 0.00 C ATOM 90 OG SER A 6 -13.918 -13.392 -0.410 1.00 0.00 O ATOM 0 H SER A 6 -12.087 -15.884 1.935 1.00 0.00 H new ATOM 0 HA SER A 6 -12.519 -15.572 -0.860 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.152 -14.939 0.943 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.071 -13.659 1.458 1.00 0.00 H new ATOM 0 HG SER A 6 -14.681 -12.895 -0.047 1.00 0.00 H new ATOM 96 N TYR A 7 -10.788 -13.988 -1.653 1.00 0.00 N ATOM 97 CA TYR A 7 -9.748 -13.086 -2.141 1.00 0.00 C ATOM 98 C TYR A 7 -10.337 -11.721 -2.473 1.00 0.00 C ATOM 99 O TYR A 7 -10.042 -10.725 -1.814 1.00 0.00 O ATOM 100 CB TYR A 7 -9.080 -13.667 -3.394 1.00 0.00 C ATOM 101 CG TYR A 7 -7.601 -13.361 -3.371 1.00 0.00 C ATOM 102 CD1 TYR A 7 -6.749 -14.085 -2.526 1.00 0.00 C ATOM 103 CD2 TYR A 7 -7.080 -12.355 -4.193 1.00 0.00 C ATOM 104 CE1 TYR A 7 -5.378 -13.802 -2.506 1.00 0.00 C ATOM 105 CE2 TYR A 7 -5.710 -12.072 -4.172 1.00 0.00 C ATOM 106 CZ TYR A 7 -4.858 -12.795 -3.328 1.00 0.00 C ATOM 107 OH TYR A 7 -3.507 -12.516 -3.307 1.00 0.00 O ATOM 0 H TYR A 7 -11.233 -14.557 -2.373 1.00 0.00 H new ATOM 0 HA TYR A 7 -9.003 -12.973 -1.354 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -9.238 -14.745 -3.435 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.535 -13.244 -4.290 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.150 -14.861 -1.891 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -7.736 -11.797 -4.844 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -4.721 -14.361 -1.856 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.309 -11.296 -4.807 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.313 -11.791 -3.937 1.00 0.00 H new ATOM 117 N ARG A 8 -11.171 -11.698 -3.504 1.00 0.00 N ATOM 118 CA ARG A 8 -11.817 -10.465 -3.946 1.00 0.00 C ATOM 119 C ARG A 8 -10.778 -9.449 -4.423 1.00 0.00 C ATOM 120 O ARG A 8 -10.552 -9.291 -5.623 1.00 0.00 O ATOM 121 CB ARG A 8 -12.659 -9.861 -2.818 1.00 0.00 C ATOM 122 CG ARG A 8 -13.868 -10.759 -2.548 1.00 0.00 C ATOM 123 CD ARG A 8 -15.010 -10.374 -3.490 1.00 0.00 C ATOM 124 NE ARG A 8 -15.989 -11.454 -3.582 1.00 0.00 N ATOM 125 CZ ARG A 8 -16.654 -11.869 -2.507 1.00 0.00 C ATOM 126 NH1 ARG A 8 -17.575 -11.112 -1.976 1.00 0.00 N ATOM 127 NH2 ARG A 8 -16.385 -13.033 -1.983 1.00 0.00 N ATOM 0 H ARG A 8 -11.418 -12.521 -4.053 1.00 0.00 H new ATOM 0 HA ARG A 8 -12.473 -10.711 -4.781 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -12.058 -9.761 -1.914 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.990 -8.860 -3.093 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -13.598 -11.805 -2.695 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -14.187 -10.655 -1.511 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.495 -9.467 -3.130 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.612 -10.152 -4.480 1.00 0.00 H new ATOM 0 HE ARG A 8 -16.165 -11.897 -4.484 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -17.785 -10.202 -2.385 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -18.084 -11.431 -1.152 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.665 -13.625 -2.397 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -16.895 -13.351 -1.159 1.00 0.00 H new ATOM 141 N CYS A 9 -10.147 -8.770 -3.475 1.00 0.00 N ATOM 142 CA CYS A 9 -9.128 -7.776 -3.804 1.00 0.00 C ATOM 143 C CYS A 9 -7.788 -8.471 -4.070 1.00 0.00 C ATOM 144 O CYS A 9 -7.606 -9.629 -3.695 1.00 0.00 O ATOM 145 CB CYS A 9 -8.963 -6.777 -2.651 1.00 0.00 C ATOM 146 SG CYS A 9 -10.573 -6.056 -2.218 1.00 0.00 S ATOM 0 H CYS A 9 -10.319 -8.886 -2.476 1.00 0.00 H new ATOM 0 HA CYS A 9 -9.445 -7.239 -4.698 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -8.535 -7.278 -1.783 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -8.268 -5.988 -2.939 1.00 0.00 H new ATOM 151 N PRO A 10 -6.833 -7.788 -4.724 1.00 0.00 N ATOM 152 CA PRO A 10 -5.515 -8.380 -5.029 1.00 0.00 C ATOM 153 C PRO A 10 -4.566 -8.353 -3.833 1.00 0.00 C ATOM 154 O PRO A 10 -3.640 -9.159 -3.742 1.00 0.00 O ATOM 155 CB PRO A 10 -5.001 -7.498 -6.159 1.00 0.00 C ATOM 156 CG PRO A 10 -5.717 -6.162 -6.044 1.00 0.00 C ATOM 157 CD PRO A 10 -6.976 -6.388 -5.204 1.00 0.00 C ATOM 0 HA PRO A 10 -5.585 -9.436 -5.291 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.922 -7.364 -6.083 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.198 -7.958 -7.127 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.071 -5.420 -5.575 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.978 -5.780 -7.031 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.035 -5.684 -4.374 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.881 -6.258 -5.797 1.00 0.00 H new ATOM 165 N CYS A 11 -4.809 -7.426 -2.909 1.00 0.00 N ATOM 166 CA CYS A 11 -3.970 -7.320 -1.719 1.00 0.00 C ATOM 167 C CYS A 11 -4.436 -8.309 -0.660 1.00 0.00 C ATOM 168 O CYS A 11 -5.627 -8.591 -0.527 1.00 0.00 O ATOM 169 CB CYS A 11 -4.024 -5.908 -1.133 1.00 0.00 C ATOM 170 SG CYS A 11 -2.909 -4.820 -2.056 1.00 0.00 S ATOM 0 H CYS A 11 -5.568 -6.747 -2.960 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.945 -7.545 -2.014 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.043 -5.524 -1.179 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.739 -5.929 -0.081 1.00 0.00 H new ATOM 175 N ARG A 12 -3.477 -8.828 0.093 1.00 0.00 N ATOM 176 CA ARG A 12 -3.780 -9.788 1.153 1.00 0.00 C ATOM 177 C ARG A 12 -3.179 -9.321 2.471 1.00 0.00 C ATOM 178 O ARG A 12 -3.824 -9.366 3.520 1.00 0.00 O ATOM 179 CB ARG A 12 -3.225 -11.174 0.808 1.00 0.00 C ATOM 180 CG ARG A 12 -1.746 -11.061 0.431 1.00 0.00 C ATOM 181 CD ARG A 12 -1.256 -12.402 -0.115 1.00 0.00 C ATOM 182 NE ARG A 12 0.190 -12.378 -0.318 1.00 0.00 N ATOM 183 CZ ARG A 12 0.971 -13.321 0.205 1.00 0.00 C ATOM 184 NH1 ARG A 12 1.205 -14.418 -0.462 1.00 0.00 N ATOM 185 NH2 ARG A 12 1.503 -13.147 1.384 1.00 0.00 N ATOM 0 H ARG A 12 -2.487 -8.604 -0.007 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.864 -9.854 1.248 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.343 -11.845 1.659 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.789 -11.606 -0.019 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.609 -10.280 -0.317 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.158 -10.774 1.303 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.518 -13.201 0.579 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.757 -12.622 -1.058 1.00 0.00 H new ATOM 0 HE ARG A 12 0.608 -11.628 -0.869 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.790 -14.553 -1.384 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.803 -15.141 -0.062 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.320 -12.289 1.904 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.101 -13.869 1.785 1.00 0.00 H new ATOM 199 N PHE A 13 -1.935 -8.859 2.403 1.00 0.00 N ATOM 200 CA PHE A 13 -1.244 -8.369 3.589 1.00 0.00 C ATOM 201 C PHE A 13 -0.601 -7.022 3.286 1.00 0.00 C ATOM 202 O PHE A 13 -0.141 -6.776 2.171 1.00 0.00 O ATOM 203 CB PHE A 13 -0.161 -9.354 4.031 1.00 0.00 C ATOM 204 CG PHE A 13 -0.811 -10.602 4.579 1.00 0.00 C ATOM 205 CD1 PHE A 13 -1.402 -10.583 5.847 1.00 0.00 C ATOM 206 CD2 PHE A 13 -0.821 -11.777 3.819 1.00 0.00 C ATOM 207 CE1 PHE A 13 -2.004 -11.740 6.356 1.00 0.00 C ATOM 208 CE2 PHE A 13 -1.423 -12.934 4.327 1.00 0.00 C ATOM 209 CZ PHE A 13 -2.015 -12.916 5.596 1.00 0.00 C ATOM 0 H PHE A 13 -1.387 -8.814 1.544 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.973 -8.262 4.393 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.483 -9.606 3.188 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.473 -8.897 4.791 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.394 -9.676 6.433 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.364 -11.791 2.840 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.460 -11.725 7.335 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.431 -13.841 3.740 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.480 -13.809 5.988 1.00 0.00 H new ATOM 219 N PHE A 14 -0.583 -6.149 4.285 1.00 0.00 N ATOM 220 CA PHE A 14 -0.002 -4.823 4.104 1.00 0.00 C ATOM 221 C PHE A 14 1.288 -4.683 4.896 1.00 0.00 C ATOM 222 O PHE A 14 1.359 -5.044 6.070 1.00 0.00 O ATOM 223 CB PHE A 14 -0.980 -3.744 4.560 1.00 0.00 C ATOM 224 CG PHE A 14 -1.996 -3.503 3.474 1.00 0.00 C ATOM 225 CD1 PHE A 14 -2.854 -4.532 3.071 1.00 0.00 C ATOM 226 CD2 PHE A 14 -2.073 -2.249 2.868 1.00 0.00 C ATOM 227 CE1 PHE A 14 -3.792 -4.301 2.057 1.00 0.00 C ATOM 228 CE2 PHE A 14 -3.009 -2.016 1.856 1.00 0.00 C ATOM 229 CZ PHE A 14 -3.869 -3.042 1.450 1.00 0.00 C ATOM 0 H PHE A 14 -0.958 -6.330 5.216 1.00 0.00 H new ATOM 0 HA PHE A 14 0.212 -4.700 3.042 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.479 -4.053 5.478 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.444 -2.822 4.784 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.793 -5.503 3.541 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.409 -1.457 3.181 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.455 -5.094 1.744 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.068 -1.045 1.388 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.592 -2.863 0.668 1.00 0.00 H new ATOM 239 N GLU A 15 2.307 -4.144 4.238 1.00 0.00 N ATOM 240 CA GLU A 15 3.597 -3.949 4.889 1.00 0.00 C ATOM 241 C GLU A 15 3.750 -2.495 5.329 1.00 0.00 C ATOM 242 O GLU A 15 4.443 -1.705 4.689 1.00 0.00 O ATOM 243 CB GLU A 15 4.739 -4.315 3.937 1.00 0.00 C ATOM 244 CG GLU A 15 4.886 -5.836 3.873 1.00 0.00 C ATOM 245 CD GLU A 15 3.664 -6.440 3.187 1.00 0.00 C ATOM 246 OE1 GLU A 15 3.685 -6.548 1.972 1.00 0.00 O ATOM 247 OE2 GLU A 15 2.728 -6.787 3.887 1.00 0.00 O ATOM 0 H GLU A 15 2.267 -3.837 3.266 1.00 0.00 H new ATOM 0 HA GLU A 15 3.640 -4.599 5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.539 -3.917 2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.670 -3.864 4.279 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.791 -6.101 3.326 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.990 -6.244 4.878 1.00 0.00 H new ATOM 254 N SER A 16 3.090 -2.148 6.433 1.00 0.00 N ATOM 255 CA SER A 16 3.161 -0.782 6.951 1.00 0.00 C ATOM 256 C SER A 16 4.603 -0.408 7.291 1.00 0.00 C ATOM 257 O SER A 16 4.976 0.763 7.261 1.00 0.00 O ATOM 258 CB SER A 16 2.296 -0.634 8.204 1.00 0.00 C ATOM 259 OG SER A 16 2.565 -1.712 9.091 1.00 0.00 O ATOM 0 H SER A 16 2.508 -2.783 6.979 1.00 0.00 H new ATOM 0 HA SER A 16 2.789 -0.113 6.175 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.506 0.317 8.694 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.240 -0.626 7.932 1.00 0.00 H new ATOM 0 HG SER A 16 2.013 -1.619 9.896 1.00 0.00 H new ATOM 265 N HIS A 17 5.415 -1.418 7.608 1.00 0.00 N ATOM 266 CA HIS A 17 6.819 -1.181 7.943 1.00 0.00 C ATOM 267 C HIS A 17 7.544 -0.465 6.799 1.00 0.00 C ATOM 268 O HIS A 17 8.582 0.166 7.006 1.00 0.00 O ATOM 269 CB HIS A 17 7.530 -2.507 8.227 1.00 0.00 C ATOM 270 CG HIS A 17 8.650 -2.278 9.204 1.00 0.00 C ATOM 271 ND1 HIS A 17 9.490 -1.178 9.123 1.00 0.00 N ATOM 272 CD2 HIS A 17 9.081 -3.000 10.290 1.00 0.00 C ATOM 273 CE1 HIS A 17 10.375 -1.269 10.132 1.00 0.00 C ATOM 274 NE2 HIS A 17 10.170 -2.361 10.874 1.00 0.00 N ATOM 0 H HIS A 17 5.129 -2.396 7.640 1.00 0.00 H new ATOM 0 HA HIS A 17 6.844 -0.550 8.832 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.823 -3.231 8.632 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.922 -2.927 7.301 1.00 0.00 H new ATOM 0 HD1 HIS A 17 9.445 -0.435 8.425 1.00 0.00 H new ATOM 0 HD2 HIS A 17 8.641 -3.923 10.638 1.00 0.00 H new ATOM 0 HE1 HIS A 17 11.156 -0.547 10.319 1.00 0.00 H new ATOM 282 N VAL A 18 6.989 -0.569 5.588 1.00 0.00 N ATOM 283 CA VAL A 18 7.586 0.070 4.419 1.00 0.00 C ATOM 284 C VAL A 18 7.747 1.571 4.646 1.00 0.00 C ATOM 285 O VAL A 18 7.075 2.171 5.486 1.00 0.00 O ATOM 286 CB VAL A 18 6.703 -0.164 3.183 1.00 0.00 C ATOM 287 CG1 VAL A 18 7.339 0.473 1.945 1.00 0.00 C ATOM 288 CG2 VAL A 18 6.549 -1.667 2.945 1.00 0.00 C ATOM 0 H VAL A 18 6.132 -1.087 5.395 1.00 0.00 H new ATOM 0 HA VAL A 18 8.570 -0.371 4.256 1.00 0.00 H new ATOM 0 HB VAL A 18 5.728 0.290 3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.702 0.299 1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.450 1.546 2.104 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.319 0.029 1.770 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.923 -1.834 2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.530 -2.112 2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.084 -2.128 3.817 1.00 0.00 H new ATOM 298 N ALA A 19 8.647 2.162 3.874 1.00 0.00 N ATOM 299 CA ALA A 19 8.910 3.591 3.965 1.00 0.00 C ATOM 300 C ALA A 19 9.339 4.127 2.604 1.00 0.00 C ATOM 301 O ALA A 19 10.120 3.497 1.892 1.00 0.00 O ATOM 302 CB ALA A 19 10.007 3.873 4.988 1.00 0.00 C ATOM 0 H ALA A 19 9.208 1.673 3.176 1.00 0.00 H new ATOM 0 HA ALA A 19 7.994 4.089 4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.188 4.947 5.041 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.694 3.509 5.967 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.923 3.365 4.688 1.00 0.00 H new ATOM 308 N ARG A 20 8.804 5.297 2.251 1.00 0.00 N ATOM 309 CA ARG A 20 9.100 5.945 0.961 1.00 0.00 C ATOM 310 C ARG A 20 10.575 5.830 0.561 1.00 0.00 C ATOM 311 O ARG A 20 10.906 5.791 -0.624 1.00 0.00 O ATOM 312 CB ARG A 20 8.730 7.423 1.023 1.00 0.00 C ATOM 313 CG ARG A 20 8.352 7.915 -0.377 1.00 0.00 C ATOM 314 CD ARG A 20 8.138 9.430 -0.345 1.00 0.00 C ATOM 315 NE ARG A 20 8.517 10.028 -1.622 1.00 0.00 N ATOM 316 CZ ARG A 20 7.595 10.478 -2.468 1.00 0.00 C ATOM 317 NH1 ARG A 20 6.975 9.646 -3.260 1.00 0.00 N ATOM 318 NH2 ARG A 20 7.309 11.751 -2.506 1.00 0.00 N ATOM 0 H ARG A 20 8.159 5.822 2.841 1.00 0.00 H new ATOM 0 HA ARG A 20 8.505 5.424 0.210 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.896 7.571 1.709 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.568 8.003 1.410 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.139 7.663 -1.087 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.444 7.416 -0.717 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.093 9.651 -0.130 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.729 9.870 0.459 1.00 0.00 H new ATOM 0 HE ARG A 20 9.504 10.102 -1.869 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.198 8.651 -3.230 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.268 9.991 -3.909 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.793 12.401 -1.887 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.602 12.096 -3.155 1.00 0.00 H new ATOM 332 N ALA A 21 11.456 5.779 1.556 1.00 0.00 N ATOM 333 CA ALA A 21 12.886 5.675 1.282 1.00 0.00 C ATOM 334 C ALA A 21 13.203 4.385 0.535 1.00 0.00 C ATOM 335 O ALA A 21 13.664 4.407 -0.607 1.00 0.00 O ATOM 336 CB ALA A 21 13.684 5.705 2.586 1.00 0.00 C ATOM 0 H ALA A 21 11.210 5.807 2.546 1.00 0.00 H new ATOM 0 HA ALA A 21 13.167 6.526 0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.748 5.626 2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.491 6.642 3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.383 4.868 3.216 1.00 0.00 H new ATOM 342 N ASN A 22 12.954 3.263 1.194 1.00 0.00 N ATOM 343 CA ASN A 22 13.218 1.960 0.594 1.00 0.00 C ATOM 344 C ASN A 22 12.186 1.616 -0.481 1.00 0.00 C ATOM 345 O ASN A 22 12.372 0.667 -1.233 1.00 0.00 O ATOM 346 CB ASN A 22 13.200 0.875 1.671 1.00 0.00 C ATOM 347 CG ASN A 22 11.861 0.894 2.402 1.00 0.00 C ATOM 348 OD1 ASN A 22 11.544 1.853 3.106 1.00 0.00 O ATOM 349 ND2 ASN A 22 11.050 -0.121 2.276 1.00 0.00 N ATOM 0 H ASN A 22 12.572 3.226 2.139 1.00 0.00 H new ATOM 0 HA ASN A 22 14.201 2.007 0.126 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.363 -0.103 1.218 1.00 0.00 H new ATOM 0 HB3 ASN A 22 14.013 1.038 2.378 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.153 -0.120 2.761 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.314 -0.915 1.692 1.00 0.00 H new ATOM 356 N VAL A 23 11.101 2.389 -0.561 1.00 0.00 N ATOM 357 CA VAL A 23 10.079 2.116 -1.572 1.00 0.00 C ATOM 358 C VAL A 23 10.651 2.385 -2.963 1.00 0.00 C ATOM 359 O VAL A 23 11.389 3.348 -3.173 1.00 0.00 O ATOM 360 CB VAL A 23 8.832 2.984 -1.335 1.00 0.00 C ATOM 361 CG1 VAL A 23 7.768 2.690 -2.401 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.249 2.673 0.050 1.00 0.00 C ATOM 0 H VAL A 23 10.910 3.188 0.044 1.00 0.00 H new ATOM 0 HA VAL A 23 9.783 1.069 -1.498 1.00 0.00 H new ATOM 0 HB VAL A 23 9.119 4.034 -1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.891 3.312 -2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.172 2.910 -3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.484 1.639 -2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.365 3.288 0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.974 1.620 0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.994 2.890 0.815 1.00 0.00 H new ATOM 372 N LYS A 24 10.304 1.517 -3.905 1.00 0.00 N ATOM 373 CA LYS A 24 10.789 1.657 -5.276 1.00 0.00 C ATOM 374 C LYS A 24 9.834 2.525 -6.086 1.00 0.00 C ATOM 375 O LYS A 24 10.212 3.577 -6.600 1.00 0.00 O ATOM 376 CB LYS A 24 10.906 0.286 -5.945 1.00 0.00 C ATOM 377 CG LYS A 24 11.863 0.377 -7.133 1.00 0.00 C ATOM 378 CD LYS A 24 13.278 0.017 -6.679 1.00 0.00 C ATOM 379 CE LYS A 24 14.209 -0.018 -7.892 1.00 0.00 C ATOM 380 NZ LYS A 24 15.304 -0.999 -7.650 1.00 0.00 N ATOM 0 H LYS A 24 9.694 0.715 -3.749 1.00 0.00 H new ATOM 0 HA LYS A 24 11.772 2.127 -5.242 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.269 -0.450 -5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.925 -0.052 -6.280 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.541 -0.299 -7.925 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.849 1.385 -7.548 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.636 0.748 -5.954 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.276 -0.952 -6.181 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.649 -0.295 -8.785 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.627 0.973 -8.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.836 -1.149 -8.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 15.944 -0.631 -6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.897 -1.902 -7.333 1.00 0.00 H new ATOM 394 N HIS A 25 8.587 2.073 -6.188 1.00 0.00 N ATOM 395 CA HIS A 25 7.578 2.821 -6.934 1.00 0.00 C ATOM 396 C HIS A 25 6.184 2.512 -6.399 1.00 0.00 C ATOM 397 O HIS A 25 5.988 1.546 -5.662 1.00 0.00 O ATOM 398 CB HIS A 25 7.637 2.475 -8.426 1.00 0.00 C ATOM 399 CG HIS A 25 7.487 0.990 -8.614 1.00 0.00 C ATOM 400 ND1 HIS A 25 6.265 0.349 -8.486 1.00 0.00 N ATOM 401 CD2 HIS A 25 8.394 0.008 -8.928 1.00 0.00 C ATOM 402 CE1 HIS A 25 6.468 -0.961 -8.723 1.00 0.00 C ATOM 403 NE2 HIS A 25 7.749 -1.222 -8.996 1.00 0.00 N ATOM 0 H HIS A 25 8.253 1.204 -5.770 1.00 0.00 H new ATOM 0 HA HIS A 25 7.787 3.883 -6.808 1.00 0.00 H new ATOM 0 HB2 HIS A 25 6.846 3.000 -8.961 1.00 0.00 H new ATOM 0 HB3 HIS A 25 8.584 2.810 -8.849 1.00 0.00 H new ATOM 0 HD2 HIS A 25 9.449 0.167 -9.097 1.00 0.00 H new ATOM 0 HE1 HIS A 25 5.690 -1.709 -8.696 1.00 0.00 H new ATOM 0 HE2 HIS A 25 8.165 -2.129 -9.209 1.00 0.00 H new ATOM 411 N LEU A 26 5.215 3.345 -6.774 1.00 0.00 N ATOM 412 CA LEU A 26 3.843 3.146 -6.315 1.00 0.00 C ATOM 413 C LEU A 26 2.945 2.684 -7.453 1.00 0.00 C ATOM 414 O LEU A 26 3.081 3.119 -8.597 1.00 0.00 O ATOM 415 CB LEU A 26 3.255 4.439 -5.751 1.00 0.00 C ATOM 416 CG LEU A 26 3.790 4.715 -4.341 1.00 0.00 C ATOM 417 CD1 LEU A 26 3.156 6.002 -3.810 1.00 0.00 C ATOM 418 CD2 LEU A 26 3.426 3.563 -3.403 1.00 0.00 C ATOM 0 H LEU A 26 5.351 4.151 -7.384 1.00 0.00 H new ATOM 0 HA LEU A 26 3.883 2.384 -5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.503 5.273 -6.408 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.168 4.367 -5.724 1.00 0.00 H new ATOM 0 HG LEU A 26 4.875 4.815 -4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.531 6.206 -2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.412 6.832 -4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.073 5.887 -3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.811 3.771 -2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.342 3.458 -3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.865 2.638 -3.776 1.00 0.00 H new ATOM 430 N LYS A 27 2.009 1.813 -7.108 1.00 0.00 N ATOM 431 CA LYS A 27 1.052 1.294 -8.080 1.00 0.00 C ATOM 432 C LYS A 27 -0.289 1.054 -7.392 1.00 0.00 C ATOM 433 O LYS A 27 -0.346 0.830 -6.184 1.00 0.00 O ATOM 434 CB LYS A 27 1.559 -0.022 -8.690 1.00 0.00 C ATOM 435 CG LYS A 27 2.127 0.238 -10.090 1.00 0.00 C ATOM 436 CD LYS A 27 3.653 0.344 -10.016 1.00 0.00 C ATOM 437 CE LYS A 27 4.243 0.226 -11.424 1.00 0.00 C ATOM 438 NZ LYS A 27 5.412 1.141 -11.549 1.00 0.00 N ATOM 0 H LYS A 27 1.890 1.449 -6.163 1.00 0.00 H new ATOM 0 HA LYS A 27 0.933 2.025 -8.880 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.327 -0.457 -8.051 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.745 -0.744 -8.747 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.841 -0.569 -10.765 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.708 1.158 -10.498 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.941 1.295 -9.568 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.052 -0.443 -9.376 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.550 -0.802 -11.617 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.488 0.478 -12.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.124 0.711 -12.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.101 2.048 -11.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.828 1.303 -10.610 1.00 0.00 H new ATOM 452 N ILE A 28 -1.371 1.113 -8.163 1.00 0.00 N ATOM 453 CA ILE A 28 -2.699 0.907 -7.605 1.00 0.00 C ATOM 454 C ILE A 28 -3.567 0.107 -8.573 1.00 0.00 C ATOM 455 O ILE A 28 -3.377 0.156 -9.788 1.00 0.00 O ATOM 456 CB ILE A 28 -3.368 2.254 -7.323 1.00 0.00 C ATOM 457 CG1 ILE A 28 -2.458 3.096 -6.425 1.00 0.00 C ATOM 458 CG2 ILE A 28 -4.704 2.024 -6.616 1.00 0.00 C ATOM 459 CD1 ILE A 28 -1.537 3.954 -7.293 1.00 0.00 C ATOM 0 H ILE A 28 -1.353 1.300 -9.166 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.595 0.351 -6.674 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.540 2.777 -8.264 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.059 3.732 -5.775 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.866 2.448 -5.779 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.180 2.984 -6.416 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.354 1.423 -7.252 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.533 1.501 -5.675 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.889 4.554 -6.654 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.927 3.308 -7.925 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.138 4.613 -7.920 1.00 0.00 H new ATOM 471 N LEU A 29 -4.527 -0.625 -8.015 1.00 0.00 N ATOM 472 CA LEU A 29 -5.432 -1.429 -8.830 1.00 0.00 C ATOM 473 C LEU A 29 -6.872 -0.980 -8.617 1.00 0.00 C ATOM 474 O LEU A 29 -7.442 -1.161 -7.542 1.00 0.00 O ATOM 475 CB LEU A 29 -5.313 -2.910 -8.468 1.00 0.00 C ATOM 476 CG LEU A 29 -3.896 -3.399 -8.770 1.00 0.00 C ATOM 477 CD1 LEU A 29 -3.652 -4.732 -8.059 1.00 0.00 C ATOM 478 CD2 LEU A 29 -3.735 -3.592 -10.279 1.00 0.00 C ATOM 0 H LEU A 29 -4.698 -0.678 -7.011 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.155 -1.292 -9.875 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.542 -3.056 -7.412 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.039 -3.493 -9.035 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.175 -2.661 -8.417 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.642 -5.080 -8.275 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.767 -4.597 -6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.373 -5.470 -8.412 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.725 -3.941 -10.496 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.457 -4.329 -10.631 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.908 -2.644 -10.788 1.00 0.00 H new ATOM 490 N ASN A 30 -7.451 -0.385 -9.654 1.00 0.00 N ATOM 491 CA ASN A 30 -8.828 0.095 -9.572 1.00 0.00 C ATOM 492 C ASN A 30 -9.808 -1.058 -9.785 1.00 0.00 C ATOM 493 O ASN A 30 -10.506 -1.129 -10.798 1.00 0.00 O ATOM 494 CB ASN A 30 -9.080 1.178 -10.625 1.00 0.00 C ATOM 495 CG ASN A 30 -10.441 1.821 -10.379 1.00 0.00 C ATOM 496 OD1 ASN A 30 -10.926 1.848 -9.248 1.00 0.00 O ATOM 497 ND2 ASN A 30 -11.092 2.346 -11.381 1.00 0.00 N ATOM 0 H ASN A 30 -6.996 -0.224 -10.552 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.982 0.518 -8.579 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.296 1.934 -10.580 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.047 0.743 -11.624 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.003 2.779 -11.227 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.690 2.324 -12.318 1.00 0.00 H new ATOM 504 N THR A 31 -9.853 -1.960 -8.811 1.00 0.00 N ATOM 505 CA THR A 31 -10.748 -3.109 -8.885 1.00 0.00 C ATOM 506 C THR A 31 -12.193 -2.658 -8.641 1.00 0.00 C ATOM 507 O THR A 31 -12.429 -1.737 -7.858 1.00 0.00 O ATOM 508 CB THR A 31 -10.358 -4.151 -7.829 1.00 0.00 C ATOM 509 OG1 THR A 31 -8.984 -3.999 -7.497 1.00 0.00 O ATOM 510 CG2 THR A 31 -10.594 -5.559 -8.377 1.00 0.00 C ATOM 0 H THR A 31 -9.284 -1.919 -7.966 1.00 0.00 H new ATOM 0 HA THR A 31 -10.666 -3.554 -9.877 1.00 0.00 H new ATOM 0 HB THR A 31 -10.969 -4.004 -6.938 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.573 -4.882 -7.391 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.315 -6.295 -7.622 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.648 -5.679 -8.629 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.988 -5.708 -9.270 1.00 0.00 H new ATOM 518 N PRO A 32 -13.180 -3.289 -9.298 1.00 0.00 N ATOM 519 CA PRO A 32 -14.599 -2.917 -9.120 1.00 0.00 C ATOM 520 C PRO A 32 -15.190 -3.502 -7.844 1.00 0.00 C ATOM 521 O PRO A 32 -15.876 -2.814 -7.087 1.00 0.00 O ATOM 522 CB PRO A 32 -15.263 -3.505 -10.358 1.00 0.00 C ATOM 523 CG PRO A 32 -14.372 -4.635 -10.846 1.00 0.00 C ATOM 524 CD PRO A 32 -12.979 -4.409 -10.252 1.00 0.00 C ATOM 0 HA PRO A 32 -14.742 -1.841 -9.019 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.261 -3.875 -10.121 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.380 -2.745 -11.131 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -14.770 -5.600 -10.534 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -14.328 -4.646 -11.935 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.609 -5.302 -9.749 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.252 -4.153 -11.023 1.00 0.00 H new ATOM 532 N ASN A 33 -14.904 -4.775 -7.606 1.00 0.00 N ATOM 533 CA ASN A 33 -15.394 -5.447 -6.411 1.00 0.00 C ATOM 534 C ASN A 33 -14.858 -4.759 -5.155 1.00 0.00 C ATOM 535 O ASN A 33 -15.483 -4.795 -4.095 1.00 0.00 O ATOM 536 CB ASN A 33 -14.958 -6.914 -6.403 1.00 0.00 C ATOM 537 CG ASN A 33 -16.036 -7.763 -5.737 1.00 0.00 C ATOM 538 OD1 ASN A 33 -16.321 -7.598 -4.551 1.00 0.00 O ATOM 539 ND2 ASN A 33 -16.657 -8.673 -6.436 1.00 0.00 N ATOM 0 H ASN A 33 -14.338 -5.360 -8.221 1.00 0.00 H new ATOM 0 HA ASN A 33 -16.483 -5.394 -6.418 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -14.787 -7.259 -7.423 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.014 -7.021 -5.868 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.378 -9.247 -6.000 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -16.421 -8.810 -7.419 1.00 0.00 H new ATOM 546 N CYS A 34 -13.689 -4.130 -5.290 1.00 0.00 N ATOM 547 CA CYS A 34 -13.070 -3.431 -4.165 1.00 0.00 C ATOM 548 C CYS A 34 -13.160 -1.922 -4.383 1.00 0.00 C ATOM 549 O CYS A 34 -13.864 -1.455 -5.279 1.00 0.00 O ATOM 550 CB CYS A 34 -11.595 -3.836 -4.022 1.00 0.00 C ATOM 551 SG CYS A 34 -11.451 -5.642 -3.991 1.00 0.00 S ATOM 0 H CYS A 34 -13.157 -4.091 -6.159 1.00 0.00 H new ATOM 0 HA CYS A 34 -13.602 -3.705 -3.254 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -11.016 -3.431 -4.851 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -11.180 -3.414 -3.107 1.00 0.00 H new ATOM 556 N ALA A 35 -12.446 -1.161 -3.557 1.00 0.00 N ATOM 557 CA ALA A 35 -12.464 0.294 -3.679 1.00 0.00 C ATOM 558 C ALA A 35 -11.181 0.795 -4.344 1.00 0.00 C ATOM 559 O ALA A 35 -11.171 1.135 -5.527 1.00 0.00 O ATOM 560 CB ALA A 35 -12.614 0.946 -2.301 1.00 0.00 C ATOM 0 H ALA A 35 -11.856 -1.521 -2.807 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.317 0.569 -4.300 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.626 2.030 -2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.547 0.618 -1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.776 0.654 -1.667 1.00 0.00 H new ATOM 566 N LEU A 36 -10.101 0.833 -3.569 1.00 0.00 N ATOM 567 CA LEU A 36 -8.813 1.291 -4.084 1.00 0.00 C ATOM 568 C LEU A 36 -7.683 0.736 -3.225 1.00 0.00 C ATOM 569 O LEU A 36 -7.383 1.259 -2.152 1.00 0.00 O ATOM 570 CB LEU A 36 -8.741 2.820 -4.076 1.00 0.00 C ATOM 571 CG LEU A 36 -9.298 3.368 -5.395 1.00 0.00 C ATOM 572 CD1 LEU A 36 -10.744 3.828 -5.194 1.00 0.00 C ATOM 573 CD2 LEU A 36 -8.448 4.555 -5.856 1.00 0.00 C ATOM 0 H LEU A 36 -10.091 0.554 -2.588 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.709 0.934 -5.109 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.311 3.217 -3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.709 3.145 -3.942 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.269 2.582 -6.150 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.136 4.217 -6.134 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.352 2.984 -4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.775 4.611 -4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.845 4.944 -6.794 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.475 5.338 -5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.419 4.229 -6.005 1.00 0.00 H new ATOM 585 N GLN A 37 -7.063 -0.333 -3.711 1.00 0.00 N ATOM 586 CA GLN A 37 -5.968 -0.965 -2.984 1.00 0.00 C ATOM 587 C GLN A 37 -4.631 -0.486 -3.536 1.00 0.00 C ATOM 588 O GLN A 37 -4.254 -0.823 -4.660 1.00 0.00 O ATOM 589 CB GLN A 37 -6.045 -2.491 -3.117 1.00 0.00 C ATOM 590 CG GLN A 37 -7.373 -2.996 -2.543 1.00 0.00 C ATOM 591 CD GLN A 37 -8.491 -2.763 -3.554 1.00 0.00 C ATOM 592 OE1 GLN A 37 -9.447 -2.040 -3.275 1.00 0.00 O ATOM 593 NE2 GLN A 37 -8.425 -3.334 -4.725 1.00 0.00 N ATOM 0 H GLN A 37 -7.297 -0.778 -4.599 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.053 -0.691 -1.933 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.958 -2.779 -4.165 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.211 -2.954 -2.589 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.298 -4.058 -2.307 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.598 -2.477 -1.611 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.633 -3.933 -4.956 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.166 -3.181 -5.409 1.00 0.00 H new ATOM 602 N ILE A 38 -3.917 0.308 -2.741 1.00 0.00 N ATOM 603 CA ILE A 38 -2.626 0.821 -3.182 1.00 0.00 C ATOM 604 C ILE A 38 -1.542 -0.234 -3.010 1.00 0.00 C ATOM 605 O ILE A 38 -1.239 -0.675 -1.898 1.00 0.00 O ATOM 606 CB ILE A 38 -2.219 2.072 -2.402 1.00 0.00 C ATOM 607 CG1 ILE A 38 -3.370 3.081 -2.407 1.00 0.00 C ATOM 608 CG2 ILE A 38 -0.990 2.698 -3.072 1.00 0.00 C ATOM 609 CD1 ILE A 38 -3.155 4.106 -1.290 1.00 0.00 C ATOM 0 H ILE A 38 -4.204 0.604 -1.808 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.731 1.079 -4.236 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.984 1.802 -1.372 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.422 3.585 -3.372 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.320 2.566 -2.265 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.692 3.591 -2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.170 1.980 -3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.234 2.968 -4.099 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.974 4.825 -1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.125 3.595 -0.328 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.213 4.629 -1.453 1.00 0.00 H new ATOM 621 N VAL A 39 -0.944 -0.606 -4.130 1.00 0.00 N ATOM 622 CA VAL A 39 0.129 -1.587 -4.118 1.00 0.00 C ATOM 623 C VAL A 39 1.456 -0.862 -4.255 1.00 0.00 C ATOM 624 O VAL A 39 1.491 0.354 -4.453 1.00 0.00 O ATOM 625 CB VAL A 39 -0.030 -2.597 -5.260 1.00 0.00 C ATOM 626 CG1 VAL A 39 -1.321 -3.393 -5.060 1.00 0.00 C ATOM 627 CG2 VAL A 39 -0.092 -1.861 -6.599 1.00 0.00 C ATOM 0 H VAL A 39 -1.181 -0.246 -5.054 1.00 0.00 H new ATOM 0 HA VAL A 39 0.093 -2.137 -3.178 1.00 0.00 H new ATOM 0 HB VAL A 39 0.824 -3.275 -5.260 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.435 -4.111 -5.872 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.278 -3.924 -4.109 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.172 -2.712 -5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.205 -2.584 -7.407 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.943 -1.179 -6.600 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.827 -1.294 -6.746 1.00 0.00 H new ATOM 637 N ALA A 40 2.547 -1.600 -4.129 1.00 0.00 N ATOM 638 CA ALA A 40 3.860 -0.980 -4.224 1.00 0.00 C ATOM 639 C ALA A 40 4.941 -2.001 -4.517 1.00 0.00 C ATOM 640 O ALA A 40 4.683 -3.197 -4.632 1.00 0.00 O ATOM 641 CB ALA A 40 4.205 -0.295 -2.908 1.00 0.00 C ATOM 0 H ALA A 40 2.553 -2.607 -3.964 1.00 0.00 H new ATOM 0 HA ALA A 40 3.818 -0.259 -5.040 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.189 0.167 -2.985 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.461 0.471 -2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.213 -1.032 -2.105 1.00 0.00 H new ATOM 647 N ARG A 41 6.164 -1.494 -4.612 1.00 0.00 N ATOM 648 CA ARG A 41 7.326 -2.334 -4.863 1.00 0.00 C ATOM 649 C ARG A 41 8.508 -1.794 -4.068 1.00 0.00 C ATOM 650 O ARG A 41 8.948 -0.662 -4.279 1.00 0.00 O ATOM 651 CB ARG A 41 7.671 -2.348 -6.353 1.00 0.00 C ATOM 652 CG ARG A 41 8.817 -3.330 -6.611 1.00 0.00 C ATOM 653 CD ARG A 41 8.247 -4.680 -7.051 1.00 0.00 C ATOM 654 NE ARG A 41 7.618 -4.568 -8.364 1.00 0.00 N ATOM 655 CZ ARG A 41 8.267 -4.929 -9.468 1.00 0.00 C ATOM 656 NH1 ARG A 41 9.535 -4.654 -9.597 1.00 0.00 N ATOM 657 NH2 ARG A 41 7.634 -5.555 -10.422 1.00 0.00 N ATOM 0 H ARG A 41 6.376 -0.501 -4.518 1.00 0.00 H new ATOM 0 HA ARG A 41 7.101 -3.355 -4.553 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.796 -2.635 -6.936 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.957 -1.348 -6.679 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.481 -2.936 -7.381 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.414 -3.453 -5.708 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.043 -5.423 -7.085 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.517 -5.028 -6.320 1.00 0.00 H new ATOM 0 HE ARG A 41 6.667 -4.208 -8.436 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.029 -4.163 -8.852 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.033 -4.930 -10.443 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.641 -5.768 -10.321 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.132 -5.832 -11.268 1.00 0.00 H new ATOM 671 N LEU A 42 9.003 -2.604 -3.131 1.00 0.00 N ATOM 672 CA LEU A 42 10.114 -2.183 -2.290 1.00 0.00 C ATOM 673 C LEU A 42 11.442 -2.309 -3.023 1.00 0.00 C ATOM 674 O LEU A 42 11.590 -3.096 -3.962 1.00 0.00 O ATOM 675 CB LEU A 42 10.179 -3.010 -1.005 1.00 0.00 C ATOM 676 CG LEU A 42 8.788 -3.120 -0.368 1.00 0.00 C ATOM 677 CD1 LEU A 42 8.882 -3.963 0.903 1.00 0.00 C ATOM 678 CD2 LEU A 42 8.270 -1.722 -0.007 1.00 0.00 C ATOM 0 H LEU A 42 8.654 -3.543 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 42 9.940 -1.137 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.565 -4.005 -1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.872 -2.548 -0.302 1.00 0.00 H new ATOM 0 HG LEU A 42 8.104 -3.588 -1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.896 -4.044 1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.249 -4.958 0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.568 -3.489 1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.282 -1.806 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.954 -1.252 0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.206 -1.114 -0.909 1.00 0.00 H new ATOM 690 N LYS A 43 12.397 -1.504 -2.570 1.00 0.00 N ATOM 691 CA LYS A 43 13.735 -1.468 -3.152 1.00 0.00 C ATOM 692 C LYS A 43 14.678 -2.400 -2.397 1.00 0.00 C ATOM 693 O LYS A 43 15.183 -3.379 -2.947 1.00 0.00 O ATOM 694 CB LYS A 43 14.277 -0.036 -3.079 1.00 0.00 C ATOM 695 CG LYS A 43 15.620 0.059 -3.799 1.00 0.00 C ATOM 696 CD LYS A 43 16.081 1.518 -3.834 1.00 0.00 C ATOM 697 CE LYS A 43 15.253 2.294 -4.859 1.00 0.00 C ATOM 698 NZ LYS A 43 15.617 3.738 -4.801 1.00 0.00 N ATOM 0 H LYS A 43 12.266 -0.859 -1.791 1.00 0.00 H new ATOM 0 HA LYS A 43 13.674 -1.797 -4.189 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.564 0.653 -3.532 1.00 0.00 H new ATOM 0 HB3 LYS A 43 14.393 0.264 -2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.362 -0.555 -3.289 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.528 -0.329 -4.814 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.971 1.968 -2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 43 17.139 1.569 -4.092 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.434 1.902 -5.860 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.190 2.167 -4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.054 4.266 -5.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.423 4.107 -3.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 16.628 3.850 -5.016 1.00 0.00 H new ATOM 712 N ASN A 44 14.913 -2.074 -1.129 1.00 0.00 N ATOM 713 CA ASN A 44 15.804 -2.869 -0.282 1.00 0.00 C ATOM 714 C ASN A 44 15.433 -4.352 -0.314 1.00 0.00 C ATOM 715 O ASN A 44 16.276 -5.220 -0.083 1.00 0.00 O ATOM 716 CB ASN A 44 15.741 -2.375 1.164 1.00 0.00 C ATOM 717 CG ASN A 44 17.021 -2.765 1.893 1.00 0.00 C ATOM 718 OD1 ASN A 44 18.121 -2.450 1.440 1.00 0.00 O ATOM 719 ND2 ASN A 44 16.943 -3.442 3.006 1.00 0.00 N ATOM 0 H ASN A 44 14.500 -1.266 -0.663 1.00 0.00 H new ATOM 0 HA ASN A 44 16.814 -2.751 -0.674 1.00 0.00 H new ATOM 0 HB2 ASN A 44 15.614 -1.293 1.184 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.877 -2.806 1.669 1.00 0.00 H new ATOM 0 HD21 ASN A 44 17.794 -3.710 3.501 1.00 0.00 H new ATOM 0 HD22 ASN A 44 16.031 -3.703 3.381 1.00 0.00 H new ATOM 726 N ASN A 45 14.165 -4.636 -0.601 1.00 0.00 N ATOM 727 CA ASN A 45 13.699 -6.019 -0.659 1.00 0.00 C ATOM 728 C ASN A 45 13.510 -6.462 -2.107 1.00 0.00 C ATOM 729 O ASN A 45 13.640 -7.642 -2.430 1.00 0.00 O ATOM 730 CB ASN A 45 12.367 -6.177 0.080 1.00 0.00 C ATOM 731 CG ASN A 45 12.463 -5.544 1.464 1.00 0.00 C ATOM 732 OD1 ASN A 45 13.086 -6.101 2.368 1.00 0.00 O ATOM 733 ND2 ASN A 45 11.875 -4.401 1.683 1.00 0.00 N ATOM 0 H ASN A 45 13.449 -3.936 -0.795 1.00 0.00 H new ATOM 0 HA ASN A 45 14.456 -6.640 -0.180 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.567 -5.706 -0.490 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.114 -7.233 0.170 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.931 -3.967 2.604 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.359 -3.941 0.933 1.00 0.00 H new ATOM 740 N ASN A 46 13.190 -5.503 -2.976 1.00 0.00 N ATOM 741 CA ASN A 46 12.973 -5.809 -4.389 1.00 0.00 C ATOM 742 C ASN A 46 11.787 -6.760 -4.535 1.00 0.00 C ATOM 743 O ASN A 46 11.924 -7.895 -4.992 1.00 0.00 O ATOM 744 CB ASN A 46 14.223 -6.449 -5.005 1.00 0.00 C ATOM 745 CG ASN A 46 15.089 -5.367 -5.642 1.00 0.00 C ATOM 746 OD1 ASN A 46 14.575 -4.385 -6.177 1.00 0.00 O ATOM 747 ND2 ASN A 46 16.388 -5.490 -5.616 1.00 0.00 N ATOM 0 H ASN A 46 13.076 -4.520 -2.730 1.00 0.00 H new ATOM 0 HA ASN A 46 12.763 -4.878 -4.915 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.789 -6.978 -4.238 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.935 -7.187 -5.754 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.977 -4.772 -6.039 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.814 -6.304 -5.173 1.00 0.00 H new ATOM 754 N ARG A 47 10.614 -6.279 -4.131 1.00 0.00 N ATOM 755 CA ARG A 47 9.400 -7.091 -4.211 1.00 0.00 C ATOM 756 C ARG A 47 8.162 -6.205 -4.137 1.00 0.00 C ATOM 757 O ARG A 47 8.232 -5.059 -3.701 1.00 0.00 O ATOM 758 CB ARG A 47 9.357 -8.104 -3.065 1.00 0.00 C ATOM 759 CG ARG A 47 9.531 -7.376 -1.731 1.00 0.00 C ATOM 760 CD ARG A 47 9.682 -8.400 -0.606 1.00 0.00 C ATOM 761 NE ARG A 47 8.431 -9.127 -0.400 1.00 0.00 N ATOM 762 CZ ARG A 47 8.398 -10.240 0.327 1.00 0.00 C ATOM 763 NH1 ARG A 47 8.240 -10.171 1.621 1.00 0.00 N ATOM 764 NH2 ARG A 47 8.522 -11.403 -0.254 1.00 0.00 N ATOM 0 H ARG A 47 10.477 -5.343 -3.749 1.00 0.00 H new ATOM 0 HA ARG A 47 9.412 -7.621 -5.163 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.409 -8.642 -3.077 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.146 -8.846 -3.192 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.408 -6.730 -1.769 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.671 -6.734 -1.540 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.480 -9.101 -0.850 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.972 -7.895 0.316 1.00 0.00 H new ATOM 0 HE ARG A 47 7.571 -8.775 -0.820 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.142 -9.263 2.075 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.215 -11.025 2.178 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.644 -11.457 -1.265 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.497 -12.257 0.303 1.00 0.00 H new ATOM 778 N GLN A 48 7.028 -6.748 -4.574 1.00 0.00 N ATOM 779 CA GLN A 48 5.778 -5.990 -4.561 1.00 0.00 C ATOM 780 C GLN A 48 5.040 -6.172 -3.237 1.00 0.00 C ATOM 781 O GLN A 48 4.927 -7.286 -2.723 1.00 0.00 O ATOM 782 CB GLN A 48 4.868 -6.444 -5.704 1.00 0.00 C ATOM 783 CG GLN A 48 3.674 -5.493 -5.817 1.00 0.00 C ATOM 784 CD GLN A 48 2.595 -6.134 -6.683 1.00 0.00 C ATOM 785 OE1 GLN A 48 2.420 -7.353 -6.669 1.00 0.00 O ATOM 786 NE2 GLN A 48 1.852 -5.378 -7.444 1.00 0.00 N ATOM 0 H GLN A 48 6.948 -7.698 -4.937 1.00 0.00 H new ATOM 0 HA GLN A 48 6.030 -4.937 -4.686 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.424 -6.459 -6.641 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.520 -7.461 -5.524 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.277 -5.272 -4.826 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.990 -4.545 -6.253 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.996 -4.368 -7.456 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.127 -5.797 -8.027 1.00 0.00 H new ATOM 795 N VAL A 49 4.531 -5.066 -2.689 1.00 0.00 N ATOM 796 CA VAL A 49 3.798 -5.129 -1.422 1.00 0.00 C ATOM 797 C VAL A 49 2.715 -4.060 -1.364 1.00 0.00 C ATOM 798 O VAL A 49 2.820 -3.013 -1.998 1.00 0.00 O ATOM 799 CB VAL A 49 4.736 -4.918 -0.232 1.00 0.00 C ATOM 800 CG1 VAL A 49 5.640 -6.136 -0.066 1.00 0.00 C ATOM 801 CG2 VAL A 49 5.592 -3.671 -0.469 1.00 0.00 C ATOM 0 H VAL A 49 4.610 -4.133 -3.093 1.00 0.00 H new ATOM 0 HA VAL A 49 3.347 -6.120 -1.367 1.00 0.00 H new ATOM 0 HB VAL A 49 4.144 -4.784 0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.306 -5.982 0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.029 -7.021 0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.231 -6.276 -0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.260 -3.522 0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.182 -3.801 -1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.945 -2.801 -0.579 1.00 0.00 H new ATOM 811 N CYS A 50 1.683 -4.328 -0.568 1.00 0.00 N ATOM 812 CA CYS A 50 0.595 -3.373 -0.403 1.00 0.00 C ATOM 813 C CYS A 50 0.935 -2.434 0.744 1.00 0.00 C ATOM 814 O CYS A 50 1.174 -2.877 1.868 1.00 0.00 O ATOM 815 CB CYS A 50 -0.716 -4.097 -0.089 1.00 0.00 C ATOM 816 SG CYS A 50 -1.065 -5.310 -1.389 1.00 0.00 S ATOM 0 H CYS A 50 1.579 -5.190 -0.033 1.00 0.00 H new ATOM 0 HA CYS A 50 0.471 -2.813 -1.330 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.646 -4.595 0.878 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.533 -3.378 -0.019 1.00 0.00 H new ATOM 821 N ILE A 51 0.974 -1.134 0.460 1.00 0.00 N ATOM 822 CA ILE A 51 1.312 -0.171 1.504 1.00 0.00 C ATOM 823 C ILE A 51 0.075 0.245 2.276 1.00 0.00 C ATOM 824 O ILE A 51 -1.041 0.222 1.758 1.00 0.00 O ATOM 825 CB ILE A 51 1.984 1.079 0.932 1.00 0.00 C ATOM 826 CG1 ILE A 51 3.083 0.678 -0.052 1.00 0.00 C ATOM 827 CG2 ILE A 51 2.612 1.869 2.081 1.00 0.00 C ATOM 828 CD1 ILE A 51 3.656 1.932 -0.709 1.00 0.00 C ATOM 0 H ILE A 51 0.782 -0.732 -0.457 1.00 0.00 H new ATOM 0 HA ILE A 51 2.014 -0.669 2.173 1.00 0.00 H new ATOM 0 HB ILE A 51 1.241 1.685 0.414 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.871 0.134 0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.680 0.008 -0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.095 2.763 1.687 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.837 2.158 2.790 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.353 1.250 2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.440 1.649 -1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.864 2.458 -1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.074 2.586 0.057 1.00 0.00 H new ATOM 840 N ASP A 52 0.289 0.610 3.535 1.00 0.00 N ATOM 841 CA ASP A 52 -0.809 1.016 4.398 1.00 0.00 C ATOM 842 C ASP A 52 -1.226 2.458 4.089 1.00 0.00 C ATOM 843 O ASP A 52 -0.375 3.308 3.827 1.00 0.00 O ATOM 844 CB ASP A 52 -0.384 0.917 5.868 1.00 0.00 C ATOM 845 CG ASP A 52 -1.546 0.393 6.707 1.00 0.00 C ATOM 846 OD1 ASP A 52 -2.185 -0.550 6.274 1.00 0.00 O ATOM 847 OD2 ASP A 52 -1.780 0.945 7.770 1.00 0.00 O ATOM 0 H ASP A 52 1.208 0.633 3.977 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.654 0.352 4.216 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.475 0.253 5.964 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.072 1.896 6.233 1.00 0.00 H new ATOM 852 N PRO A 53 -2.536 2.760 4.116 1.00 0.00 N ATOM 853 CA PRO A 53 -3.032 4.123 3.835 1.00 0.00 C ATOM 854 C PRO A 53 -2.815 5.081 5.006 1.00 0.00 C ATOM 855 O PRO A 53 -2.843 6.301 4.838 1.00 0.00 O ATOM 856 CB PRO A 53 -4.518 3.904 3.582 1.00 0.00 C ATOM 857 CG PRO A 53 -4.898 2.612 4.285 1.00 0.00 C ATOM 858 CD PRO A 53 -3.617 1.789 4.434 1.00 0.00 C ATOM 0 HA PRO A 53 -2.506 4.587 3.001 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.103 4.740 3.967 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.722 3.837 2.513 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.339 2.819 5.260 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.643 2.064 3.708 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.513 1.390 5.443 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.605 0.939 3.752 1.00 0.00 H new ATOM 866 N LYS A 54 -2.594 4.519 6.193 1.00 0.00 N ATOM 867 CA LYS A 54 -2.371 5.339 7.378 1.00 0.00 C ATOM 868 C LYS A 54 -0.876 5.538 7.647 1.00 0.00 C ATOM 869 O LYS A 54 -0.492 5.997 8.723 1.00 0.00 O ATOM 870 CB LYS A 54 -3.012 4.687 8.603 1.00 0.00 C ATOM 871 CG LYS A 54 -4.500 5.042 8.653 1.00 0.00 C ATOM 872 CD LYS A 54 -5.045 4.765 10.056 1.00 0.00 C ATOM 873 CE LYS A 54 -5.108 3.255 10.291 1.00 0.00 C ATOM 874 NZ LYS A 54 -6.309 2.696 9.609 1.00 0.00 N ATOM 0 H LYS A 54 -2.565 3.513 6.357 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.828 6.311 7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.887 3.605 8.559 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.515 5.029 9.511 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.643 6.092 8.397 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.049 4.456 7.916 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.406 5.234 10.805 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.038 5.202 10.165 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.205 2.779 9.909 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.152 3.044 11.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.448 1.709 9.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.147 3.256 9.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.172 2.733 8.579 1.00 0.00 H new ATOM 888 N LEU A 55 -0.029 5.201 6.668 1.00 0.00 N ATOM 889 CA LEU A 55 1.411 5.369 6.846 1.00 0.00 C ATOM 890 C LEU A 55 1.742 6.846 7.025 1.00 0.00 C ATOM 891 O LEU A 55 0.958 7.722 6.663 1.00 0.00 O ATOM 892 CB LEU A 55 2.178 4.801 5.647 1.00 0.00 C ATOM 893 CG LEU A 55 2.753 3.422 6.005 1.00 0.00 C ATOM 894 CD1 LEU A 55 3.458 2.820 4.784 1.00 0.00 C ATOM 895 CD2 LEU A 55 3.753 3.559 7.162 1.00 0.00 C ATOM 0 H LEU A 55 -0.310 4.819 5.765 1.00 0.00 H new ATOM 0 HA LEU A 55 1.715 4.821 7.738 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.515 4.717 4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.983 5.479 5.364 1.00 0.00 H new ATOM 0 HG LEU A 55 1.938 2.765 6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.864 1.842 5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.743 2.711 3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.269 3.478 4.471 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.157 2.578 7.411 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.566 4.221 6.864 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.247 3.975 8.033 1.00 0.00 H new ATOM 907 N LYS A 56 2.899 7.109 7.619 1.00 0.00 N ATOM 908 CA LYS A 56 3.311 8.478 7.881 1.00 0.00 C ATOM 909 C LYS A 56 3.755 9.190 6.612 1.00 0.00 C ATOM 910 O LYS A 56 3.491 10.378 6.435 1.00 0.00 O ATOM 911 CB LYS A 56 4.451 8.513 8.900 1.00 0.00 C ATOM 912 CG LYS A 56 4.647 9.945 9.402 1.00 0.00 C ATOM 913 CD LYS A 56 5.493 9.929 10.676 1.00 0.00 C ATOM 914 CE LYS A 56 5.155 11.151 11.530 1.00 0.00 C ATOM 915 NZ LYS A 56 6.374 11.603 12.259 1.00 0.00 N ATOM 0 H LYS A 56 3.563 6.398 7.926 1.00 0.00 H new ATOM 0 HA LYS A 56 2.441 8.998 8.283 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.225 7.851 9.736 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.371 8.148 8.444 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.136 10.546 8.636 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.680 10.407 9.601 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.304 9.015 11.239 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.553 9.932 10.421 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.777 11.955 10.899 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.365 10.904 12.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.143 12.434 12.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.716 10.836 12.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.115 11.854 11.574 1.00 0.00 H new ATOM 929 N TRP A 57 4.436 8.469 5.731 1.00 0.00 N ATOM 930 CA TRP A 57 4.892 9.087 4.495 1.00 0.00 C ATOM 931 C TRP A 57 3.807 9.027 3.430 1.00 0.00 C ATOM 932 O TRP A 57 3.746 9.884 2.547 1.00 0.00 O ATOM 933 CB TRP A 57 6.184 8.446 3.983 1.00 0.00 C ATOM 934 CG TRP A 57 5.983 7.012 3.600 1.00 0.00 C ATOM 935 CD1 TRP A 57 6.034 5.952 4.443 1.00 0.00 C ATOM 936 CD2 TRP A 57 5.724 6.468 2.277 1.00 0.00 C ATOM 937 NE1 TRP A 57 5.854 4.792 3.707 1.00 0.00 N ATOM 938 CE2 TRP A 57 5.653 5.061 2.371 1.00 0.00 C ATOM 939 CE3 TRP A 57 5.552 7.057 1.016 1.00 0.00 C ATOM 940 CZ2 TRP A 57 5.425 4.265 1.253 1.00 0.00 C ATOM 941 CZ3 TRP A 57 5.314 6.260 -0.115 1.00 0.00 C ATOM 942 CH2 TRP A 57 5.254 4.864 0.003 1.00 0.00 C ATOM 0 H TRP A 57 4.679 7.485 5.843 1.00 0.00 H new ATOM 0 HA TRP A 57 5.108 10.133 4.714 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.549 9.004 3.121 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.952 8.512 4.754 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.189 6.003 5.511 1.00 0.00 H new ATOM 0 HE1 TRP A 57 5.869 3.853 4.106 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.603 8.131 0.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.381 3.190 1.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.176 6.724 -1.080 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.076 4.254 -0.870 1.00 0.00 H new ATOM 953 N ILE A 58 2.941 8.021 3.520 1.00 0.00 N ATOM 954 CA ILE A 58 1.870 7.902 2.553 1.00 0.00 C ATOM 955 C ILE A 58 0.731 8.864 2.902 1.00 0.00 C ATOM 956 O ILE A 58 -0.080 9.187 2.040 1.00 0.00 O ATOM 957 CB ILE A 58 1.374 6.444 2.435 1.00 0.00 C ATOM 958 CG1 ILE A 58 2.460 5.655 1.654 1.00 0.00 C ATOM 959 CG2 ILE A 58 0.001 6.384 1.714 1.00 0.00 C ATOM 960 CD1 ILE A 58 1.867 4.505 0.823 1.00 0.00 C ATOM 0 H ILE A 58 2.963 7.296 4.237 1.00 0.00 H new ATOM 0 HA ILE A 58 2.259 8.181 1.574 1.00 0.00 H new ATOM 0 HB ILE A 58 1.224 6.004 3.421 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.996 6.337 0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.189 5.253 2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.328 5.347 1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.732 6.959 2.279 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.097 6.804 0.713 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.668 3.986 0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.354 3.806 1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.158 4.907 0.099 1.00 0.00 H new ATOM 972 N GLN A 59 0.671 9.334 4.153 1.00 0.00 N ATOM 973 CA GLN A 59 -0.387 10.265 4.508 1.00 0.00 C ATOM 974 C GLN A 59 -0.163 11.591 3.784 1.00 0.00 C ATOM 975 O GLN A 59 -1.113 12.301 3.453 1.00 0.00 O ATOM 976 CB GLN A 59 -0.470 10.495 6.022 1.00 0.00 C ATOM 977 CG GLN A 59 0.860 11.042 6.554 1.00 0.00 C ATOM 978 CD GLN A 59 0.601 12.242 7.461 1.00 0.00 C ATOM 979 OE1 GLN A 59 -0.211 13.109 7.139 1.00 0.00 O ATOM 980 NE2 GLN A 59 1.249 12.342 8.590 1.00 0.00 N ATOM 0 H GLN A 59 1.317 9.093 4.904 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.336 9.828 4.197 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.274 11.196 6.246 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.713 9.559 6.525 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.388 10.265 7.106 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.502 11.335 5.723 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.922 11.624 8.857 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.082 13.139 9.205 1.00 0.00 H new ATOM 989 N GLU A 60 1.107 11.905 3.507 1.00 0.00 N ATOM 990 CA GLU A 60 1.432 13.130 2.786 1.00 0.00 C ATOM 991 C GLU A 60 1.205 12.902 1.296 1.00 0.00 C ATOM 992 O GLU A 60 0.728 13.781 0.578 1.00 0.00 O ATOM 993 CB GLU A 60 2.892 13.525 3.021 1.00 0.00 C ATOM 994 CG GLU A 60 3.014 15.050 3.029 1.00 0.00 C ATOM 995 CD GLU A 60 2.825 15.569 4.451 1.00 0.00 C ATOM 996 OE1 GLU A 60 3.785 15.543 5.202 1.00 0.00 O ATOM 997 OE2 GLU A 60 1.722 15.983 4.767 1.00 0.00 O ATOM 0 H GLU A 60 1.912 11.335 3.768 1.00 0.00 H new ATOM 0 HA GLU A 60 0.792 13.935 3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.242 13.117 3.969 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.524 13.103 2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.991 15.349 2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.266 15.489 2.368 1.00 0.00 H new ATOM 1004 N TYR A 61 1.544 11.693 0.851 1.00 0.00 N ATOM 1005 CA TYR A 61 1.369 11.316 -0.549 1.00 0.00 C ATOM 1006 C TYR A 61 -0.124 11.291 -0.882 1.00 0.00 C ATOM 1007 O TYR A 61 -0.577 11.931 -1.832 1.00 0.00 O ATOM 1008 CB TYR A 61 2.018 9.926 -0.789 1.00 0.00 C ATOM 1009 CG TYR A 61 1.405 9.200 -1.975 1.00 0.00 C ATOM 1010 CD1 TYR A 61 1.251 9.852 -3.203 1.00 0.00 C ATOM 1011 CD2 TYR A 61 0.985 7.875 -1.828 1.00 0.00 C ATOM 1012 CE1 TYR A 61 0.674 9.175 -4.285 1.00 0.00 C ATOM 1013 CE2 TYR A 61 0.411 7.198 -2.906 1.00 0.00 C ATOM 1014 CZ TYR A 61 0.253 7.847 -4.136 1.00 0.00 C ATOM 1015 OH TYR A 61 -0.314 7.179 -5.202 1.00 0.00 O ATOM 0 H TYR A 61 1.940 10.960 1.439 1.00 0.00 H new ATOM 0 HA TYR A 61 1.856 12.042 -1.200 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.088 10.051 -0.956 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.904 9.315 0.106 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.576 10.876 -3.317 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.105 7.374 -0.879 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.554 9.677 -5.234 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.089 6.174 -2.791 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.549 6.267 -4.929 1.00 0.00 H new ATOM 1025 N LEU A 62 -0.875 10.542 -0.086 1.00 0.00 N ATOM 1026 CA LEU A 62 -2.312 10.427 -0.293 1.00 0.00 C ATOM 1027 C LEU A 62 -2.976 11.796 -0.174 1.00 0.00 C ATOM 1028 O LEU A 62 -4.015 12.055 -0.783 1.00 0.00 O ATOM 1029 CB LEU A 62 -2.910 9.478 0.749 1.00 0.00 C ATOM 1030 CG LEU A 62 -3.962 8.581 0.090 1.00 0.00 C ATOM 1031 CD1 LEU A 62 -3.323 7.251 -0.313 1.00 0.00 C ATOM 1032 CD2 LEU A 62 -5.100 8.317 1.080 1.00 0.00 C ATOM 0 H LEU A 62 -0.515 10.008 0.705 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.491 10.032 -1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.123 8.867 1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.363 10.051 1.559 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.356 9.078 -0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.073 6.614 -0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.512 7.436 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.928 6.754 0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.849 7.679 0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.704 7.821 1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.558 9.263 1.368 1.00 0.00 H new ATOM 1044 N GLU A 63 -2.359 12.671 0.615 1.00 0.00 N ATOM 1045 CA GLU A 63 -2.893 14.017 0.808 1.00 0.00 C ATOM 1046 C GLU A 63 -2.725 14.842 -0.464 1.00 0.00 C ATOM 1047 O GLU A 63 -3.597 15.629 -0.831 1.00 0.00 O ATOM 1048 CB GLU A 63 -2.170 14.721 1.959 1.00 0.00 C ATOM 1049 CG GLU A 63 -2.935 14.487 3.265 1.00 0.00 C ATOM 1050 CD GLU A 63 -2.154 15.091 4.427 1.00 0.00 C ATOM 1051 OE1 GLU A 63 -0.978 14.791 4.545 1.00 0.00 O ATOM 1052 OE2 GLU A 63 -2.745 15.845 5.183 1.00 0.00 O ATOM 0 H GLU A 63 -1.498 12.476 1.126 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.953 13.928 1.047 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.152 14.342 2.049 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.095 15.789 1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.925 14.939 3.205 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.081 13.419 3.427 1.00 0.00 H new ATOM 1059 N LYS A 64 -1.591 14.652 -1.135 1.00 0.00 N ATOM 1060 CA LYS A 64 -1.317 15.386 -2.370 1.00 0.00 C ATOM 1061 C LYS A 64 -1.943 14.675 -3.567 1.00 0.00 C ATOM 1062 O LYS A 64 -2.339 15.310 -4.545 1.00 0.00 O ATOM 1063 CB LYS A 64 0.194 15.522 -2.596 1.00 0.00 C ATOM 1064 CG LYS A 64 0.845 14.136 -2.643 1.00 0.00 C ATOM 1065 CD LYS A 64 2.292 14.269 -3.123 1.00 0.00 C ATOM 1066 CE LYS A 64 3.210 14.506 -1.922 1.00 0.00 C ATOM 1067 NZ LYS A 64 4.630 14.340 -2.343 1.00 0.00 N ATOM 0 H LYS A 64 -0.855 14.005 -0.850 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.755 16.379 -2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.384 16.054 -3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.638 16.114 -1.796 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.819 13.676 -1.655 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.287 13.483 -3.313 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.595 13.366 -3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.378 15.096 -3.828 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.053 15.508 -1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.971 13.803 -1.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.255 14.501 -1.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.774 13.376 -2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.853 15.027 -3.091 1.00 0.00 H new ATOM 1081 N ALA A 65 -2.028 13.350 -3.479 1.00 0.00 N ATOM 1082 CA ALA A 65 -2.609 12.561 -4.563 1.00 0.00 C ATOM 1083 C ALA A 65 -4.111 12.807 -4.654 1.00 0.00 C ATOM 1084 O ALA A 65 -4.695 12.779 -5.737 1.00 0.00 O ATOM 1085 CB ALA A 65 -2.360 11.070 -4.333 1.00 0.00 C ATOM 0 H ALA A 65 -1.706 12.805 -2.679 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.134 12.867 -5.495 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.799 10.497 -5.150 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.287 10.882 -4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.816 10.766 -3.391 1.00 0.00 H new ATOM 1091 N LEU A 66 -4.730 13.050 -3.502 1.00 0.00 N ATOM 1092 CA LEU A 66 -6.167 13.301 -3.458 1.00 0.00 C ATOM 1093 C LEU A 66 -6.447 14.799 -3.519 1.00 0.00 C ATOM 1094 O LEU A 66 -7.341 15.250 -4.234 1.00 0.00 O ATOM 1095 CB LEU A 66 -6.771 12.732 -2.172 1.00 0.00 C ATOM 1096 CG LEU A 66 -8.201 12.261 -2.443 1.00 0.00 C ATOM 1097 CD1 LEU A 66 -8.553 11.123 -1.483 1.00 0.00 C ATOM 1098 CD2 LEU A 66 -9.169 13.426 -2.228 1.00 0.00 C ATOM 0 H LEU A 66 -4.264 13.078 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.621 12.811 -4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.166 11.901 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.769 13.491 -1.390 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.279 11.907 -3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.572 10.787 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.862 10.293 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.476 11.477 -0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.189 13.092 -2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.091 13.779 -1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.918 14.238 -2.910 1.00 0.00 H new ATOM 1110 N ASN A 67 -5.668 15.565 -2.758 1.00 0.00 N ATOM 1111 CA ASN A 67 -5.834 17.018 -2.728 1.00 0.00 C ATOM 1112 C ASN A 67 -7.231 17.387 -2.238 1.00 0.00 C ATOM 1113 O ASN A 67 -8.151 17.334 -3.038 1.00 0.00 O ATOM 1114 CB ASN A 67 -5.622 17.612 -4.122 1.00 0.00 C ATOM 1115 CG ASN A 67 -5.091 19.036 -3.994 1.00 0.00 C ATOM 1116 OD1 ASN A 67 -5.709 19.879 -3.344 1.00 0.00 O ATOM 1117 ND2 ASN A 67 -3.971 19.358 -4.581 1.00 0.00 N ATOM 1118 OXT ASN A 67 -7.361 17.717 -1.071 1.00 0.00 O ATOM 0 H ASN A 67 -4.923 15.209 -2.159 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.090 17.425 -2.044 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.919 17.000 -4.686 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.561 17.611 -4.676 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.608 20.308 -4.501 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.458 18.660 -5.120 1.00 0.00 H new TER 1125 ASN A 67