USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 591 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 39 HIS :FLIP no HD1:sc= -0.483 F(o=-3.1,f=-1.9) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -1.43 K(o=-1.9,f=-3.2) USER MOD Set 2.1: A 49 GLN : amide:sc= -0.956 K(o=-1.6,f=-3.1!) USER MOD Set 2.2: A 57 ASN : amide:sc= -0.621 K(o=-1.6,f=-2.5!) USER MOD Set 3.1: A 15 HIS : no HE2:sc= -1.14 K(o=-0.035,f=-4.1) USER MOD Set 3.2: A 20 SER OG : rot 144:sc= 1.11 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0808 USER MOD Single : A 13 GLN : amide:sc= -0.0589 X(o=-0.059,f=-0.42) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.652 F(o=-1.5,f=-0.65) USER MOD Single : A 21 THR OG1 : rot -140:sc=-0.00261 USER MOD Single : A 26 HIS : no HE2:sc= -0.673 K(o=-0.67,f=-1.2) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 30:sc=-0.00592 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 1:sc= 1.1 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.062 USER MOD Single : A 71 SER OG : rot -46:sc= 0.162 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 5 -1.462 -7.861 -14.263 1.00 10.00 N ATOM 30 CA LYS A 5 -1.804 -9.011 -13.447 1.00 10.00 C ATOM 31 C LYS A 5 -2.603 -8.509 -12.252 1.00 10.00 C ATOM 32 O LYS A 5 -2.067 -8.350 -11.161 1.00 10.00 O ATOM 33 CB LYS A 5 -0.540 -9.790 -13.058 1.00 10.00 C ATOM 34 CG LYS A 5 -0.903 -11.181 -12.511 1.00 10.00 C ATOM 35 CD LYS A 5 0.370 -12.023 -12.329 1.00 10.00 C ATOM 36 CE LYS A 5 0.093 -13.534 -12.269 1.00 10.00 C ATOM 37 NZ LYS A 5 -0.560 -13.958 -11.012 1.00 10.00 N ATOM 0 HA LYS A 5 -2.422 -9.721 -13.997 1.00 10.00 H new ATOM 0 HB2 LYS A 5 0.110 -9.894 -13.927 1.00 10.00 H new ATOM 0 HB3 LYS A 5 0.019 -9.233 -12.306 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -1.423 -11.082 -11.558 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -1.586 -11.683 -13.196 1.00 10.00 H new ATOM 0 HD2 LYS A 5 1.054 -11.818 -13.152 1.00 10.00 H new ATOM 0 HD3 LYS A 5 0.873 -11.716 -11.412 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -0.539 -13.814 -13.112 1.00 10.00 H new ATOM 0 HE3 LYS A 5 1.033 -14.074 -12.382 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -0.720 -14.985 -11.033 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 0.052 -13.719 -10.205 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -1.472 -13.468 -10.912 1.00 10.00 H new ATOM 51 N TYR A 6 -3.882 -8.222 -12.485 1.00 10.00 N ATOM 52 CA TYR A 6 -4.774 -7.754 -11.440 1.00 10.00 C ATOM 53 C TYR A 6 -4.795 -8.723 -10.253 1.00 10.00 C ATOM 54 O TYR A 6 -4.573 -9.921 -10.436 1.00 10.00 O ATOM 55 CB TYR A 6 -6.183 -7.557 -11.998 1.00 10.00 C ATOM 56 CG TYR A 6 -6.270 -6.782 -13.294 1.00 10.00 C ATOM 57 CD1 TYR A 6 -6.081 -5.394 -13.270 1.00 10.00 C ATOM 58 CD2 TYR A 6 -6.537 -7.431 -14.513 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.092 -4.655 -14.466 1.00 10.00 C ATOM 60 CE2 TYR A 6 -6.562 -6.692 -15.709 1.00 10.00 C ATOM 61 CZ TYR A 6 -6.316 -5.309 -15.687 1.00 10.00 C ATOM 62 OH TYR A 6 -6.284 -4.605 -16.854 1.00 10.00 O ATOM 0 H TYR A 6 -4.322 -8.309 -13.401 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.401 -6.795 -11.080 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -6.634 -8.537 -12.151 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -6.783 -7.043 -11.247 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -5.926 -4.889 -12.328 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -6.722 -8.495 -14.530 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -5.929 -3.588 -14.445 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -6.771 -7.188 -16.645 1.00 10.00 H new ATOM 0 HH TYR A 6 -6.458 -5.209 -17.606 1.00 10.00 H new ATOM 72 N TYR A 7 -5.073 -8.212 -9.049 1.00 10.00 N ATOM 73 CA TYR A 7 -5.109 -9.010 -7.830 1.00 10.00 C ATOM 74 C TYR A 7 -6.430 -8.767 -7.101 1.00 10.00 C ATOM 75 O TYR A 7 -6.902 -7.631 -7.030 1.00 10.00 O ATOM 76 CB TYR A 7 -3.914 -8.658 -6.939 1.00 10.00 C ATOM 77 CG TYR A 7 -2.573 -8.612 -7.647 1.00 10.00 C ATOM 78 CD1 TYR A 7 -1.970 -9.795 -8.115 1.00 10.00 C ATOM 79 CD2 TYR A 7 -1.931 -7.377 -7.848 1.00 10.00 C ATOM 80 CE1 TYR A 7 -0.713 -9.745 -8.744 1.00 10.00 C ATOM 81 CE2 TYR A 7 -0.677 -7.327 -8.476 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.072 -8.506 -8.933 1.00 10.00 C ATOM 83 OH TYR A 7 1.146 -8.445 -9.540 1.00 10.00 O ATOM 0 H TYR A 7 -5.280 -7.225 -8.897 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.042 -10.068 -8.081 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.098 -7.687 -6.479 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -3.856 -9.388 -6.131 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.473 -10.742 -7.991 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.405 -6.464 -7.518 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.240 -10.656 -9.081 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.177 -6.379 -8.607 1.00 10.00 H new ATOM 0 HH TYR A 7 1.441 -7.512 -9.589 1.00 10.00 H new ATOM 93 N THR A 8 -7.057 -9.837 -6.610 1.00 10.00 N ATOM 94 CA THR A 8 -8.293 -9.785 -5.844 1.00 10.00 C ATOM 95 C THR A 8 -7.970 -9.392 -4.404 1.00 10.00 C ATOM 96 O THR A 8 -6.881 -9.713 -3.921 1.00 10.00 O ATOM 97 CB THR A 8 -8.922 -11.185 -5.866 1.00 10.00 C ATOM 98 OG1 THR A 8 -7.901 -12.128 -5.625 1.00 10.00 O ATOM 99 CG2 THR A 8 -9.542 -11.524 -7.219 1.00 10.00 C ATOM 0 H THR A 8 -6.706 -10.786 -6.740 1.00 10.00 H new ATOM 0 HA THR A 8 -8.982 -9.055 -6.269 1.00 10.00 H new ATOM 0 HB THR A 8 -9.707 -11.208 -5.110 1.00 10.00 H new ATOM 0 HG1 THR A 8 -8.281 -13.031 -5.633 1.00 10.00 H new ATOM 0 HG21 THR A 8 -9.973 -12.524 -7.181 1.00 10.00 H new ATOM 0 HG22 THR A 8 -10.323 -10.801 -7.453 1.00 10.00 H new ATOM 0 HG23 THR A 8 -8.773 -11.489 -7.991 1.00 10.00 H new ATOM 107 N LEU A 9 -8.932 -8.775 -3.707 1.00 10.00 N ATOM 108 CA LEU A 9 -8.792 -8.390 -2.309 1.00 10.00 C ATOM 109 C LEU A 9 -8.208 -9.541 -1.504 1.00 10.00 C ATOM 110 O LEU A 9 -7.249 -9.334 -0.781 1.00 10.00 O ATOM 111 CB LEU A 9 -10.141 -7.928 -1.733 1.00 10.00 C ATOM 112 CG LEU A 9 -10.017 -6.611 -0.941 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.383 -5.957 -0.686 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.297 -6.811 0.398 1.00 10.00 C ATOM 0 H LEU A 9 -9.837 -8.529 -4.108 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.103 -7.548 -2.244 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -10.855 -7.795 -2.546 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -10.541 -8.705 -1.082 1.00 10.00 H new ATOM 0 HG LEU A 9 -9.422 -5.946 -1.567 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.245 -5.033 -0.125 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -11.864 -5.735 -1.639 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.011 -6.639 -0.113 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.232 -5.858 0.922 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -9.853 -7.523 1.007 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.293 -7.195 0.217 1.00 10.00 H new ATOM 126 N GLU A 10 -8.747 -10.751 -1.682 1.00 10.00 N ATOM 127 CA GLU A 10 -8.291 -11.958 -1.004 1.00 10.00 C ATOM 128 C GLU A 10 -6.777 -12.141 -1.137 1.00 10.00 C ATOM 129 O GLU A 10 -6.054 -12.150 -0.144 1.00 10.00 O ATOM 130 CB GLU A 10 -9.047 -13.171 -1.554 1.00 10.00 C ATOM 131 CG GLU A 10 -8.897 -14.388 -0.629 1.00 10.00 C ATOM 132 CD GLU A 10 -9.621 -14.198 0.698 1.00 10.00 C ATOM 133 OE1 GLU A 10 -10.859 -14.039 0.649 1.00 10.00 O ATOM 134 OE2 GLU A 10 -8.918 -14.215 1.731 1.00 10.00 O ATOM 0 H GLU A 10 -9.529 -10.917 -2.316 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.504 -11.860 0.060 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.103 -12.924 -1.666 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -8.671 -13.417 -2.547 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.288 -15.273 -1.130 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -7.839 -14.570 -0.440 1.00 10.00 H new ATOM 141 N GLU A 11 -6.287 -12.278 -2.371 1.00 10.00 N ATOM 142 CA GLU A 11 -4.866 -12.434 -2.637 1.00 10.00 C ATOM 143 C GLU A 11 -4.074 -11.317 -1.958 1.00 10.00 C ATOM 144 O GLU A 11 -3.117 -11.587 -1.240 1.00 10.00 O ATOM 145 CB GLU A 11 -4.580 -12.500 -4.148 1.00 10.00 C ATOM 146 CG GLU A 11 -4.126 -13.894 -4.608 1.00 10.00 C ATOM 147 CD GLU A 11 -5.223 -14.950 -4.538 1.00 10.00 C ATOM 148 OE1 GLU A 11 -5.638 -15.270 -3.404 1.00 10.00 O ATOM 149 OE2 GLU A 11 -5.595 -15.451 -5.619 1.00 10.00 O ATOM 0 H GLU A 11 -6.868 -12.283 -3.209 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.540 -13.384 -2.214 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.479 -12.216 -4.696 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -3.810 -11.771 -4.400 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -3.763 -13.828 -5.633 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.286 -14.214 -3.992 1.00 10.00 H new ATOM 156 N ILE A 12 -4.492 -10.066 -2.143 1.00 10.00 N ATOM 157 CA ILE A 12 -3.839 -8.927 -1.500 1.00 10.00 C ATOM 158 C ILE A 12 -3.854 -9.131 0.040 1.00 10.00 C ATOM 159 O ILE A 12 -2.860 -8.883 0.728 1.00 10.00 O ATOM 160 CB ILE A 12 -4.519 -7.626 -1.987 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.516 -7.527 -3.531 1.00 10.00 C ATOM 162 CG2 ILE A 12 -3.862 -6.351 -1.436 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.522 -6.494 -4.034 1.00 10.00 C ATOM 0 H ILE A 12 -5.283 -9.815 -2.736 1.00 10.00 H new ATOM 0 HA ILE A 12 -2.788 -8.846 -1.778 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.539 -7.688 -1.606 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.517 -7.260 -3.876 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.751 -8.502 -3.958 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.389 -5.476 -1.817 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -3.911 -6.358 -0.347 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -2.819 -6.313 -1.752 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.489 -6.454 -5.123 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.524 -6.775 -3.711 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.271 -5.514 -3.628 1.00 10.00 H new ATOM 175 N GLN A 13 -4.956 -9.664 0.577 1.00 10.00 N ATOM 176 CA GLN A 13 -5.175 -9.990 1.982 1.00 10.00 C ATOM 177 C GLN A 13 -4.297 -11.148 2.463 1.00 10.00 C ATOM 178 O GLN A 13 -3.996 -11.214 3.652 1.00 10.00 O ATOM 179 CB GLN A 13 -6.659 -10.299 2.263 1.00 10.00 C ATOM 180 CG GLN A 13 -7.332 -9.219 3.118 1.00 10.00 C ATOM 181 CD GLN A 13 -6.880 -9.283 4.576 1.00 10.00 C ATOM 182 OE1 GLN A 13 -6.806 -10.354 5.167 1.00 10.00 O ATOM 183 NE2 GLN A 13 -6.574 -8.141 5.183 1.00 10.00 N ATOM 0 H GLN A 13 -5.767 -9.892 0.002 1.00 10.00 H new ATOM 0 HA GLN A 13 -4.886 -9.103 2.546 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.192 -10.394 1.317 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -6.737 -11.260 2.771 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.100 -8.236 2.709 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.414 -9.338 3.068 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -6.642 -7.259 4.675 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -6.271 -8.146 6.157 1.00 10.00 H new ATOM 192 N LYS A 14 -3.857 -12.050 1.582 1.00 10.00 N ATOM 193 CA LYS A 14 -2.914 -13.093 1.972 1.00 10.00 C ATOM 194 C LYS A 14 -1.569 -12.497 2.412 1.00 10.00 C ATOM 195 O LYS A 14 -0.779 -13.192 3.050 1.00 10.00 O ATOM 196 CB LYS A 14 -2.709 -14.103 0.835 1.00 10.00 C ATOM 197 CG LYS A 14 -3.979 -14.896 0.506 1.00 10.00 C ATOM 198 CD LYS A 14 -3.699 -15.823 -0.685 1.00 10.00 C ATOM 199 CE LYS A 14 -4.897 -16.718 -1.024 1.00 10.00 C ATOM 200 NZ LYS A 14 -5.105 -17.782 -0.025 1.00 10.00 N ATOM 0 H LYS A 14 -4.138 -12.077 0.602 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.343 -13.619 2.825 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -2.375 -13.575 -0.058 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -1.915 -14.797 1.111 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -4.292 -15.480 1.371 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -4.796 -14.215 0.268 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -3.440 -15.222 -1.557 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -2.834 -16.448 -0.460 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -5.796 -16.106 -1.091 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -4.744 -17.169 -2.004 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -5.926 -18.359 -0.299 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -4.258 -18.384 0.022 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -5.278 -17.354 0.907 1.00 10.00 H new ATOM 214 N HIS A 15 -1.286 -11.240 2.042 1.00 10.00 N ATOM 215 CA HIS A 15 -0.053 -10.561 2.404 1.00 10.00 C ATOM 216 C HIS A 15 -0.274 -9.950 3.796 1.00 10.00 C ATOM 217 O HIS A 15 -0.859 -10.603 4.656 1.00 10.00 O ATOM 218 CB HIS A 15 0.341 -9.573 1.284 1.00 10.00 C ATOM 219 CG HIS A 15 0.582 -10.202 -0.080 1.00 10.00 C ATOM 220 ND1 HIS A 15 1.591 -9.843 -0.943 1.00 10.00 N ATOM 221 CD2 HIS A 15 -0.055 -11.275 -0.657 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.578 -10.694 -1.983 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.590 -11.585 -1.854 1.00 10.00 N ATOM 0 H HIS A 15 -1.917 -10.669 1.479 1.00 10.00 H new ATOM 0 HA HIS A 15 0.807 -11.226 2.483 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.446 -8.825 1.187 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.245 -9.046 1.588 1.00 10.00 H new ATOM 0 HD1 HIS A 15 2.238 -9.065 -0.816 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -0.912 -11.792 -0.251 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.271 -10.662 -2.810 1.00 10.00 H new ATOM 231 N ASN A 16 0.172 -8.713 4.045 1.00 10.00 N ATOM 232 CA ASN A 16 -0.032 -7.967 5.292 1.00 10.00 C ATOM 233 C ASN A 16 0.262 -8.788 6.547 1.00 10.00 C ATOM 234 O ASN A 16 -0.332 -8.558 7.595 1.00 10.00 O ATOM 235 CB ASN A 16 -1.425 -7.312 5.352 1.00 10.00 C ATOM 236 CG ASN A 16 -2.582 -8.296 5.403 1.00 10.00 C ATOM 237 OD1 ASN A 16 -3.016 -8.750 4.237 1.00 10.00 O flip ATOM 238 ND2 ASN A 16 -3.094 -8.636 6.464 1.00 10.00 N flip ATOM 0 H ASN A 16 0.706 -8.184 3.356 1.00 10.00 H new ATOM 0 HA ASN A 16 0.707 -7.166 5.279 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -1.473 -6.669 6.231 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -1.549 -6.670 4.480 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -2.735 -8.267 7.345 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -3.879 -9.288 6.466 1.00 10.00 H new ATOM 292 N SER A 20 4.930 -9.504 3.216 1.00 10.00 N ATOM 293 CA SER A 20 4.682 -8.461 2.255 1.00 10.00 C ATOM 294 C SER A 20 3.550 -7.570 2.724 1.00 10.00 C ATOM 295 O SER A 20 2.684 -7.997 3.483 1.00 10.00 O ATOM 296 CB SER A 20 4.449 -9.092 0.880 1.00 10.00 C ATOM 297 OG SER A 20 3.632 -10.239 1.035 1.00 10.00 O ATOM 0 HA SER A 20 5.549 -7.807 2.161 1.00 10.00 H new ATOM 0 HB2 SER A 20 3.970 -8.375 0.212 1.00 10.00 H new ATOM 0 HB3 SER A 20 5.401 -9.366 0.424 1.00 10.00 H new ATOM 0 HG SER A 20 3.027 -10.316 0.268 1.00 10.00 H new ATOM 303 N THR A 21 3.601 -6.309 2.301 1.00 10.00 N ATOM 304 CA THR A 21 2.650 -5.290 2.693 1.00 10.00 C ATOM 305 C THR A 21 2.080 -4.719 1.404 1.00 10.00 C ATOM 306 O THR A 21 2.694 -3.860 0.769 1.00 10.00 O ATOM 307 CB THR A 21 3.360 -4.267 3.579 1.00 10.00 C ATOM 308 OG1 THR A 21 3.744 -4.930 4.770 1.00 10.00 O ATOM 309 CG2 THR A 21 2.467 -3.081 3.939 1.00 10.00 C ATOM 0 H THR A 21 4.321 -5.968 1.664 1.00 10.00 H new ATOM 0 HA THR A 21 1.821 -5.669 3.291 1.00 10.00 H new ATOM 0 HB THR A 21 4.215 -3.870 3.033 1.00 10.00 H new ATOM 0 HG1 THR A 21 3.599 -4.336 5.536 1.00 10.00 H new ATOM 0 HG21 THR A 21 3.022 -2.386 4.569 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.152 -2.573 3.028 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.589 -3.437 4.477 1.00 10.00 H new ATOM 317 N TRP A 22 0.942 -5.292 1.003 1.00 10.00 N ATOM 318 CA TRP A 22 0.156 -4.883 -0.141 1.00 10.00 C ATOM 319 C TRP A 22 -1.099 -4.206 0.376 1.00 10.00 C ATOM 320 O TRP A 22 -1.429 -4.343 1.550 1.00 10.00 O ATOM 321 CB TRP A 22 -0.235 -6.101 -0.973 1.00 10.00 C ATOM 322 CG TRP A 22 0.848 -6.762 -1.754 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.171 -6.664 -1.525 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.715 -7.582 -2.948 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.864 -7.312 -2.515 1.00 10.00 N ATOM 326 CE2 TRP A 22 2.018 -7.901 -3.432 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.383 -8.091 -3.666 1.00 10.00 C ATOM 328 CZ2 TRP A 22 2.217 -8.662 -4.594 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.199 -8.910 -4.791 1.00 10.00 C ATOM 330 CH2 TRP A 22 1.097 -9.171 -5.276 1.00 10.00 C ATOM 0 H TRP A 22 0.534 -6.087 1.495 1.00 10.00 H new ATOM 0 HA TRP A 22 0.734 -4.204 -0.768 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.671 -6.843 -0.304 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -1.018 -5.799 -1.668 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.620 -6.152 -0.687 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.882 -7.354 -2.567 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.385 -7.847 -3.346 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 3.215 -8.854 -4.959 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.056 -9.342 -5.287 1.00 10.00 H new ATOM 0 HH2 TRP A 22 1.231 -9.761 -6.170 1.00 10.00 H new ATOM 341 N LEU A 23 -1.801 -3.489 -0.494 1.00 10.00 N ATOM 342 CA LEU A 23 -2.943 -2.665 -0.147 1.00 10.00 C ATOM 343 C LEU A 23 -3.531 -2.099 -1.428 1.00 10.00 C ATOM 344 O LEU A 23 -2.923 -2.260 -2.483 1.00 10.00 O ATOM 345 CB LEU A 23 -2.571 -1.572 0.864 1.00 10.00 C ATOM 346 CG LEU A 23 -1.221 -0.877 0.613 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.407 0.316 -0.317 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.653 -0.412 1.956 1.00 10.00 C ATOM 0 H LEU A 23 -1.581 -3.467 -1.490 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.699 -3.272 0.351 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.356 -0.816 0.862 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.555 -2.012 1.861 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.530 -1.575 0.140 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.445 0.799 -0.486 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.815 -0.025 -1.269 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -2.095 1.028 0.138 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.305 0.083 1.794 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.348 0.286 2.423 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.511 -1.273 2.609 1.00 10.00 H new ATOM 360 N ILE A 24 -4.701 -1.460 -1.327 1.00 10.00 N ATOM 361 CA ILE A 24 -5.452 -0.910 -2.446 1.00 10.00 C ATOM 362 C ILE A 24 -5.598 0.585 -2.193 1.00 10.00 C ATOM 363 O ILE A 24 -6.219 0.999 -1.208 1.00 10.00 O ATOM 364 CB ILE A 24 -6.820 -1.601 -2.590 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.618 -3.056 -3.048 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.705 -0.876 -3.622 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.877 -3.892 -2.803 1.00 10.00 C ATOM 0 H ILE A 24 -5.162 -1.309 -0.430 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.928 -1.083 -3.386 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.315 -1.572 -1.619 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.366 -3.075 -4.108 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.776 -3.495 -2.513 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.664 -1.387 -3.702 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.868 0.153 -3.302 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -7.210 -0.880 -4.593 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.705 -4.915 -3.136 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.113 -3.892 -1.739 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.711 -3.465 -3.359 1.00 10.00 H new ATOM 379 N LEU A 25 -5.009 1.383 -3.083 1.00 10.00 N ATOM 380 CA LEU A 25 -5.087 2.832 -3.081 1.00 10.00 C ATOM 381 C LEU A 25 -5.750 3.216 -4.402 1.00 10.00 C ATOM 382 O LEU A 25 -5.081 3.365 -5.420 1.00 10.00 O ATOM 383 CB LEU A 25 -3.667 3.409 -2.927 1.00 10.00 C ATOM 384 CG LEU A 25 -3.198 3.856 -1.544 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.786 2.971 -0.473 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.663 3.846 -1.491 1.00 10.00 C ATOM 0 H LEU A 25 -4.445 1.018 -3.851 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.672 3.234 -2.254 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -2.965 2.656 -3.286 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.585 4.266 -3.596 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.545 4.873 -1.359 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.440 3.305 0.505 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.874 3.026 -0.512 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.469 1.941 -0.637 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -1.331 4.165 -0.503 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.299 2.838 -1.688 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -1.268 4.528 -2.244 1.00 10.00 H new ATOM 398 N HIS A 26 -7.080 3.350 -4.390 1.00 10.00 N ATOM 399 CA HIS A 26 -7.874 3.756 -5.550 1.00 10.00 C ATOM 400 C HIS A 26 -7.840 2.687 -6.640 1.00 10.00 C ATOM 401 O HIS A 26 -7.528 2.980 -7.792 1.00 10.00 O ATOM 402 CB HIS A 26 -7.429 5.115 -6.118 1.00 10.00 C ATOM 403 CG HIS A 26 -7.292 6.204 -5.095 1.00 10.00 C ATOM 404 ND1 HIS A 26 -8.265 7.108 -4.740 1.00 10.00 N ATOM 405 CD2 HIS A 26 -6.165 6.491 -4.373 1.00 10.00 C ATOM 406 CE1 HIS A 26 -7.732 7.924 -3.816 1.00 10.00 C ATOM 407 NE2 HIS A 26 -6.460 7.577 -3.554 1.00 10.00 N ATOM 0 H HIS A 26 -7.643 3.176 -3.558 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.900 3.869 -5.201 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -6.472 4.987 -6.624 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -8.149 5.432 -6.873 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -9.215 7.151 -5.110 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -5.220 5.970 -4.429 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -8.254 8.746 -3.348 1.00 10.00 H new ATOM 415 N TYR A 27 -8.170 1.447 -6.270 1.00 10.00 N ATOM 416 CA TYR A 27 -8.268 0.317 -7.189 1.00 10.00 C ATOM 417 C TYR A 27 -6.917 -0.055 -7.806 1.00 10.00 C ATOM 418 O TYR A 27 -6.881 -0.724 -8.838 1.00 10.00 O ATOM 419 CB TYR A 27 -9.325 0.591 -8.274 1.00 10.00 C ATOM 420 CG TYR A 27 -10.631 1.152 -7.747 1.00 10.00 C ATOM 421 CD1 TYR A 27 -11.350 0.436 -6.776 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.091 2.416 -8.161 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.554 0.944 -6.265 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.273 2.948 -7.614 1.00 10.00 C ATOM 425 CZ TYR A 27 -13.007 2.207 -6.671 1.00 10.00 C ATOM 426 OH TYR A 27 -14.120 2.738 -6.091 1.00 10.00 O ATOM 0 H TYR A 27 -8.380 1.199 -5.303 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.588 -0.547 -6.606 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.910 1.290 -9.000 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.531 -0.338 -8.807 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.974 -0.512 -6.420 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.537 2.978 -8.898 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -13.131 0.363 -5.560 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.617 3.926 -7.918 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.303 3.619 -6.480 1.00 10.00 H new ATOM 436 N LYS A 28 -5.817 0.364 -7.172 1.00 10.00 N ATOM 437 CA LYS A 28 -4.453 0.136 -7.616 1.00 10.00 C ATOM 438 C LYS A 28 -3.703 -0.518 -6.464 1.00 10.00 C ATOM 439 O LYS A 28 -3.810 -0.041 -5.330 1.00 10.00 O ATOM 440 CB LYS A 28 -3.813 1.461 -8.031 1.00 10.00 C ATOM 441 CG LYS A 28 -4.516 2.067 -9.251 1.00 10.00 C ATOM 442 CD LYS A 28 -3.964 3.467 -9.546 1.00 10.00 C ATOM 443 CE LYS A 28 -5.076 4.471 -9.894 1.00 10.00 C ATOM 444 NZ LYS A 28 -4.851 5.769 -9.227 1.00 10.00 N ATOM 0 H LYS A 28 -5.863 0.892 -6.301 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.422 -0.518 -8.487 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.856 2.164 -7.199 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.759 1.302 -8.259 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -4.373 1.423 -10.118 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -5.589 2.123 -9.069 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -3.411 3.827 -8.679 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -3.257 3.410 -10.374 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -5.114 4.616 -10.974 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -6.042 4.067 -9.592 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -5.616 6.426 -9.480 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -4.839 5.632 -8.196 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -3.939 6.164 -9.535 1.00 10.00 H new ATOM 458 N VAL A 29 -3.006 -1.623 -6.745 1.00 10.00 N ATOM 459 CA VAL A 29 -2.272 -2.387 -5.751 1.00 10.00 C ATOM 460 C VAL A 29 -0.806 -1.952 -5.746 1.00 10.00 C ATOM 461 O VAL A 29 -0.200 -1.767 -6.806 1.00 10.00 O ATOM 462 CB VAL A 29 -2.421 -3.897 -5.990 1.00 10.00 C ATOM 463 CG1 VAL A 29 -2.010 -4.685 -4.739 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.864 -4.262 -6.331 1.00 10.00 C ATOM 0 H VAL A 29 -2.939 -2.012 -7.686 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.692 -2.184 -4.766 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.772 -4.155 -6.827 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -2.123 -5.753 -4.928 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.970 -4.467 -4.497 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.645 -4.396 -3.902 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -3.938 -5.337 -6.495 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.517 -3.975 -5.507 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.169 -3.735 -7.235 1.00 10.00 H new ATOM 474 N TYR A 30 -0.246 -1.791 -4.544 1.00 10.00 N ATOM 475 CA TYR A 30 1.106 -1.302 -4.321 1.00 10.00 C ATOM 476 C TYR A 30 1.832 -2.252 -3.378 1.00 10.00 C ATOM 477 O TYR A 30 1.381 -2.433 -2.249 1.00 10.00 O ATOM 478 CB TYR A 30 1.028 0.096 -3.704 1.00 10.00 C ATOM 479 CG TYR A 30 0.367 1.105 -4.614 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.119 1.700 -5.636 1.00 10.00 C ATOM 481 CD2 TYR A 30 -1.018 1.329 -4.553 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.515 2.619 -6.510 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.617 2.246 -5.436 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.839 2.937 -6.370 1.00 10.00 C ATOM 485 OH TYR A 30 -1.382 3.925 -7.138 1.00 10.00 O ATOM 0 H TYR A 30 -0.740 -2.005 -3.678 1.00 10.00 H new ATOM 0 HA TYR A 30 1.652 -1.252 -5.263 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.475 0.043 -2.766 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.034 0.437 -3.462 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.164 1.452 -5.752 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.621 0.799 -3.831 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.098 3.081 -7.292 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.682 2.417 -5.392 1.00 10.00 H new ATOM 0 HH TYR A 30 -0.908 3.972 -7.994 1.00 10.00 H new ATOM 495 N ASP A 31 2.941 -2.843 -3.827 1.00 10.00 N ATOM 496 CA ASP A 31 3.797 -3.664 -2.982 1.00 10.00 C ATOM 497 C ASP A 31 4.820 -2.760 -2.308 1.00 10.00 C ATOM 498 O ASP A 31 5.642 -2.159 -2.995 1.00 10.00 O ATOM 499 CB ASP A 31 4.512 -4.723 -3.823 1.00 10.00 C ATOM 500 CG ASP A 31 5.530 -5.485 -2.988 1.00 10.00 C ATOM 501 OD1 ASP A 31 5.114 -6.036 -1.942 1.00 10.00 O ATOM 502 OD2 ASP A 31 6.707 -5.510 -3.398 1.00 10.00 O ATOM 0 H ASP A 31 3.268 -2.763 -4.790 1.00 10.00 H new ATOM 0 HA ASP A 31 3.194 -4.173 -2.230 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.782 -5.418 -4.236 1.00 10.00 H new ATOM 0 HB3 ASP A 31 5.012 -4.247 -4.667 1.00 10.00 H new ATOM 507 N LEU A 32 4.757 -2.637 -0.979 1.00 10.00 N ATOM 508 CA LEU A 32 5.669 -1.795 -0.219 1.00 10.00 C ATOM 509 C LEU A 32 6.398 -2.645 0.832 1.00 10.00 C ATOM 510 O LEU A 32 6.926 -2.115 1.807 1.00 10.00 O ATOM 511 CB LEU A 32 4.903 -0.613 0.402 1.00 10.00 C ATOM 512 CG LEU A 32 3.914 0.094 -0.557 1.00 10.00 C ATOM 513 CD1 LEU A 32 2.660 0.537 0.198 1.00 10.00 C ATOM 514 CD2 LEU A 32 4.613 1.265 -1.258 1.00 10.00 C ATOM 0 H LEU A 32 4.068 -3.122 -0.404 1.00 10.00 H new ATOM 0 HA LEU A 32 6.426 -1.371 -0.878 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.351 -0.972 1.271 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.624 0.120 0.763 1.00 10.00 H new ATOM 0 HG LEU A 32 3.592 -0.607 -1.327 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.976 1.032 -0.491 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.170 -0.334 0.632 1.00 10.00 H new ATOM 0 HD13 LEU A 32 2.939 1.230 0.992 1.00 10.00 H new ATOM 0 HD21 LEU A 32 3.911 1.758 -1.931 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.963 1.979 -0.512 1.00 10.00 H new ATOM 0 HD23 LEU A 32 5.463 0.892 -1.830 1.00 10.00 H new ATOM 526 N THR A 33 6.443 -3.971 0.634 1.00 10.00 N ATOM 527 CA THR A 33 7.118 -4.927 1.512 1.00 10.00 C ATOM 528 C THR A 33 8.536 -4.479 1.846 1.00 10.00 C ATOM 529 O THR A 33 8.900 -4.355 3.013 1.00 10.00 O ATOM 530 CB THR A 33 7.119 -6.319 0.860 1.00 10.00 C ATOM 531 OG1 THR A 33 7.815 -7.285 1.635 1.00 10.00 O ATOM 532 CG2 THR A 33 7.747 -6.383 -0.523 1.00 10.00 C ATOM 0 H THR A 33 5.996 -4.417 -0.167 1.00 10.00 H new ATOM 0 HA THR A 33 6.569 -4.976 2.453 1.00 10.00 H new ATOM 0 HB THR A 33 6.053 -6.536 0.789 1.00 10.00 H new ATOM 0 HG1 THR A 33 7.786 -8.152 1.180 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.699 -7.406 -0.897 1.00 10.00 H new ATOM 0 HG22 THR A 33 7.204 -5.723 -1.200 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.788 -6.066 -0.465 1.00 10.00 H new ATOM 540 N LYS A 34 9.326 -4.194 0.811 1.00 10.00 N ATOM 541 CA LYS A 34 10.698 -3.747 0.951 1.00 10.00 C ATOM 542 C LYS A 34 10.721 -2.218 0.988 1.00 10.00 C ATOM 543 O LYS A 34 11.668 -1.593 0.522 1.00 10.00 O ATOM 544 CB LYS A 34 11.563 -4.364 -0.172 1.00 10.00 C ATOM 545 CG LYS A 34 12.486 -5.467 0.364 1.00 10.00 C ATOM 546 CD LYS A 34 11.834 -6.855 0.344 1.00 10.00 C ATOM 547 CE LYS A 34 12.629 -7.816 1.244 1.00 10.00 C ATOM 548 NZ LYS A 34 12.710 -9.183 0.690 1.00 10.00 N ATOM 0 H LYS A 34 9.020 -4.271 -0.159 1.00 10.00 H new ATOM 0 HA LYS A 34 11.135 -4.090 1.889 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.915 -4.776 -0.946 1.00 10.00 H new ATOM 0 HB3 LYS A 34 12.163 -3.583 -0.640 1.00 10.00 H new ATOM 0 HG2 LYS A 34 13.398 -5.491 -0.232 1.00 10.00 H new ATOM 0 HG3 LYS A 34 12.779 -5.224 1.385 1.00 10.00 H new ATOM 0 HD2 LYS A 34 10.803 -6.788 0.690 1.00 10.00 H new ATOM 0 HD3 LYS A 34 11.804 -7.238 -0.676 1.00 10.00 H new ATOM 0 HE2 LYS A 34 13.637 -7.425 1.384 1.00 10.00 H new ATOM 0 HE3 LYS A 34 12.162 -7.855 2.228 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 13.256 -9.788 1.336 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 11.751 -9.571 0.580 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 13.180 -9.154 -0.237 1.00 10.00 H new ATOM 562 N PHE A 35 9.671 -1.617 1.554 1.00 10.00 N ATOM 563 CA PHE A 35 9.583 -0.187 1.749 1.00 10.00 C ATOM 564 C PHE A 35 9.065 0.153 3.145 1.00 10.00 C ATOM 565 O PHE A 35 8.788 1.314 3.415 1.00 10.00 O ATOM 566 CB PHE A 35 8.682 0.417 0.672 1.00 10.00 C ATOM 567 CG PHE A 35 9.060 1.831 0.264 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.375 2.117 -0.155 1.00 10.00 C ATOM 569 CD2 PHE A 35 8.117 2.874 0.349 1.00 10.00 C ATOM 570 CE1 PHE A 35 10.739 3.425 -0.507 1.00 10.00 C ATOM 571 CE2 PHE A 35 8.484 4.187 0.005 1.00 10.00 C ATOM 572 CZ PHE A 35 9.795 4.463 -0.427 1.00 10.00 C ATOM 0 H PHE A 35 8.853 -2.126 1.890 1.00 10.00 H new ATOM 0 HA PHE A 35 10.582 0.240 1.663 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.710 -0.223 -0.210 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.654 0.418 1.033 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.107 1.324 -0.205 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.110 2.665 0.679 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.745 3.635 -0.840 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.759 4.985 0.072 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.075 5.471 -0.696 1.00 10.00 H new ATOM 582 N LEU A 36 8.911 -0.828 4.040 1.00 10.00 N ATOM 583 CA LEU A 36 8.375 -0.562 5.366 1.00 10.00 C ATOM 584 C LEU A 36 9.325 0.358 6.128 1.00 10.00 C ATOM 585 O LEU A 36 8.980 1.501 6.408 1.00 10.00 O ATOM 586 CB LEU A 36 8.127 -1.883 6.102 1.00 10.00 C ATOM 587 CG LEU A 36 7.061 -2.733 5.394 1.00 10.00 C ATOM 588 CD1 LEU A 36 7.016 -4.131 6.013 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.684 -2.062 5.467 1.00 10.00 C ATOM 0 H LEU A 36 9.150 -1.804 3.866 1.00 10.00 H new ATOM 0 HA LEU A 36 7.416 -0.050 5.287 1.00 10.00 H new ATOM 0 HB2 LEU A 36 9.059 -2.445 6.165 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.809 -1.677 7.124 1.00 10.00 H new ATOM 0 HG LEU A 36 7.330 -2.822 4.341 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.258 -4.729 5.507 1.00 10.00 H new ATOM 0 HD12 LEU A 36 7.989 -4.609 5.902 1.00 10.00 H new ATOM 0 HD13 LEU A 36 6.769 -4.052 7.072 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.948 -2.685 4.958 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.395 -1.938 6.511 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.729 -1.086 4.984 1.00 10.00 H new ATOM 601 N GLU A 37 10.536 -0.126 6.418 1.00 10.00 N ATOM 602 CA GLU A 37 11.552 0.646 7.121 1.00 10.00 C ATOM 603 C GLU A 37 11.894 1.941 6.369 1.00 10.00 C ATOM 604 O GLU A 37 12.245 2.947 6.981 1.00 10.00 O ATOM 605 CB GLU A 37 12.776 -0.244 7.388 1.00 10.00 C ATOM 606 CG GLU A 37 13.444 -0.803 6.121 1.00 10.00 C ATOM 607 CD GLU A 37 14.609 -1.719 6.480 1.00 10.00 C ATOM 608 OE1 GLU A 37 14.322 -2.785 7.066 1.00 10.00 O ATOM 609 OE2 GLU A 37 15.757 -1.342 6.165 1.00 10.00 O ATOM 0 H GLU A 37 10.836 -1.069 6.169 1.00 10.00 H new ATOM 0 HA GLU A 37 11.163 0.968 8.087 1.00 10.00 H new ATOM 0 HB2 GLU A 37 13.513 0.331 7.949 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.473 -1.077 8.022 1.00 10.00 H new ATOM 0 HG2 GLU A 37 12.711 -1.354 5.531 1.00 10.00 H new ATOM 0 HG3 GLU A 37 13.800 0.019 5.500 1.00 10.00 H new ATOM 616 N GLU A 38 11.777 1.914 5.038 1.00 10.00 N ATOM 617 CA GLU A 38 12.020 3.059 4.177 1.00 10.00 C ATOM 618 C GLU A 38 10.911 4.113 4.305 1.00 10.00 C ATOM 619 O GLU A 38 11.186 5.309 4.225 1.00 10.00 O ATOM 620 CB GLU A 38 12.125 2.579 2.729 1.00 10.00 C ATOM 621 CG GLU A 38 13.259 1.561 2.508 1.00 10.00 C ATOM 622 CD GLU A 38 14.227 2.034 1.429 1.00 10.00 C ATOM 623 OE1 GLU A 38 13.757 2.194 0.281 1.00 10.00 O ATOM 624 OE2 GLU A 38 15.408 2.251 1.772 1.00 10.00 O ATOM 0 H GLU A 38 11.505 1.075 4.526 1.00 10.00 H new ATOM 0 HA GLU A 38 12.953 3.531 4.485 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.178 2.128 2.433 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.286 3.439 2.079 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.799 1.407 3.442 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.835 0.598 2.223 1.00 10.00 H new ATOM 631 N HIS A 39 9.651 3.685 4.439 1.00 10.00 N ATOM 632 CA HIS A 39 8.506 4.586 4.442 1.00 10.00 C ATOM 633 C HIS A 39 8.649 5.597 5.587 1.00 10.00 C ATOM 634 O HIS A 39 8.721 5.197 6.747 1.00 10.00 O ATOM 635 CB HIS A 39 7.194 3.796 4.558 1.00 10.00 C ATOM 636 CG HIS A 39 5.960 4.661 4.629 1.00 10.00 C ATOM 637 ND1 HIS A 39 5.383 5.382 3.614 1.00 10.00 N flip ATOM 638 CD2 HIS A 39 5.190 4.828 5.751 1.00 10.00 C flip ATOM 639 CE1 HIS A 39 4.243 6.023 4.124 1.00 10.00 C flip ATOM 640 NE2 HIS A 39 4.184 5.655 5.420 1.00 10.00 N flip ATOM 0 H HIS A 39 9.402 2.702 4.548 1.00 10.00 H new ATOM 0 HA HIS A 39 8.477 5.131 3.499 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.108 3.128 3.701 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.237 3.169 5.449 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.360 4.379 6.719 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.561 6.671 3.593 1.00 10.00 H new ATOM 0 HE2 HIS A 39 3.463 5.967 6.070 1.00 10.00 H new ATOM 648 N PRO A 40 8.665 6.907 5.296 1.00 10.00 N ATOM 649 CA PRO A 40 8.966 7.927 6.290 1.00 10.00 C ATOM 650 C PRO A 40 7.842 8.101 7.317 1.00 10.00 C ATOM 651 O PRO A 40 8.083 8.669 8.377 1.00 10.00 O ATOM 652 CB PRO A 40 9.218 9.210 5.493 1.00 10.00 C ATOM 653 CG PRO A 40 8.375 9.005 4.239 1.00 10.00 C ATOM 654 CD PRO A 40 8.470 7.504 3.986 1.00 10.00 C ATOM 0 HA PRO A 40 9.834 7.646 6.887 1.00 10.00 H new ATOM 0 HB2 PRO A 40 8.909 10.097 6.047 1.00 10.00 H new ATOM 0 HB3 PRO A 40 10.274 9.336 5.254 1.00 10.00 H new ATOM 0 HG2 PRO A 40 7.343 9.321 4.393 1.00 10.00 H new ATOM 0 HG3 PRO A 40 8.762 9.579 3.397 1.00 10.00 H new ATOM 0 HD2 PRO A 40 7.564 7.127 3.513 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.300 7.269 3.319 1.00 10.00 H new ATOM 662 N GLY A 41 6.618 7.650 7.010 1.00 10.00 N ATOM 663 CA GLY A 41 5.492 7.741 7.928 1.00 10.00 C ATOM 664 C GLY A 41 5.643 6.791 9.112 1.00 10.00 C ATOM 665 O GLY A 41 6.232 7.138 10.130 1.00 10.00 O ATOM 0 H GLY A 41 6.389 7.213 6.117 1.00 10.00 H new ATOM 0 HA2 GLY A 41 5.403 8.764 8.293 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.570 7.512 7.394 1.00 10.00 H new ATOM 669 N GLY A 42 5.070 5.591 8.998 1.00 10.00 N ATOM 670 CA GLY A 42 5.232 4.553 9.998 1.00 10.00 C ATOM 671 C GLY A 42 5.090 3.193 9.330 1.00 10.00 C ATOM 672 O GLY A 42 4.247 3.032 8.442 1.00 10.00 O ATOM 0 H GLY A 42 4.483 5.319 8.209 1.00 10.00 H new ATOM 0 HA2 GLY A 42 6.209 4.638 10.474 1.00 10.00 H new ATOM 0 HA3 GLY A 42 4.484 4.667 10.783 1.00 10.00 H new ATOM 676 N GLU A 43 5.899 2.220 9.752 1.00 10.00 N ATOM 677 CA GLU A 43 5.782 0.858 9.264 1.00 10.00 C ATOM 678 C GLU A 43 4.483 0.248 9.778 1.00 10.00 C ATOM 679 O GLU A 43 3.755 -0.394 9.029 1.00 10.00 O ATOM 680 CB GLU A 43 6.967 0.023 9.749 1.00 10.00 C ATOM 681 CG GLU A 43 8.315 0.694 9.463 1.00 10.00 C ATOM 682 CD GLU A 43 9.027 0.972 10.772 1.00 10.00 C ATOM 683 OE1 GLU A 43 8.705 2.034 11.349 1.00 10.00 O ATOM 684 OE2 GLU A 43 9.783 0.078 11.206 1.00 10.00 O ATOM 0 H GLU A 43 6.644 2.358 10.435 1.00 10.00 H new ATOM 0 HA GLU A 43 5.778 0.867 8.174 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.871 -0.150 10.821 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.941 -0.954 9.265 1.00 10.00 H new ATOM 0 HG2 GLU A 43 8.928 0.050 8.833 1.00 10.00 H new ATOM 0 HG3 GLU A 43 8.162 1.624 8.915 1.00 10.00 H new ATOM 691 N ALA A 44 4.199 0.440 11.072 1.00 10.00 N ATOM 692 CA ALA A 44 3.052 -0.168 11.730 1.00 10.00 C ATOM 693 C ALA A 44 1.769 0.194 10.987 1.00 10.00 C ATOM 694 O ALA A 44 1.021 -0.690 10.578 1.00 10.00 O ATOM 695 CB ALA A 44 2.987 0.252 13.203 1.00 10.00 C ATOM 0 H ALA A 44 4.764 1.024 11.688 1.00 10.00 H new ATOM 0 HA ALA A 44 3.163 -1.252 11.704 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.122 -0.213 13.676 1.00 10.00 H new ATOM 0 HB2 ALA A 44 3.896 -0.068 13.713 1.00 10.00 H new ATOM 0 HB3 ALA A 44 2.897 1.336 13.269 1.00 10.00 H new ATOM 701 N VAL A 45 1.542 1.495 10.773 1.00 10.00 N ATOM 702 CA VAL A 45 0.420 1.963 9.975 1.00 10.00 C ATOM 703 C VAL A 45 0.469 1.325 8.583 1.00 10.00 C ATOM 704 O VAL A 45 -0.525 0.728 8.179 1.00 10.00 O ATOM 705 CB VAL A 45 0.296 3.499 9.998 1.00 10.00 C ATOM 706 CG1 VAL A 45 1.503 4.222 9.400 1.00 10.00 C ATOM 707 CG2 VAL A 45 -0.980 3.970 9.291 1.00 10.00 C ATOM 0 H VAL A 45 2.129 2.241 11.147 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.516 1.628 10.422 1.00 10.00 H new ATOM 0 HB VAL A 45 0.250 3.763 11.055 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.344 5.299 9.451 1.00 10.00 H new ATOM 0 HG12 VAL A 45 2.399 3.961 9.963 1.00 10.00 H new ATOM 0 HG13 VAL A 45 1.628 3.922 8.359 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.035 5.058 9.326 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.963 3.641 8.252 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -1.851 3.546 9.791 1.00 10.00 H new ATOM 717 N LEU A 46 1.606 1.350 7.867 1.00 10.00 N ATOM 718 CA LEU A 46 1.672 0.617 6.601 1.00 10.00 C ATOM 719 C LEU A 46 1.198 -0.835 6.733 1.00 10.00 C ATOM 720 O LEU A 46 0.442 -1.303 5.887 1.00 10.00 O ATOM 721 CB LEU A 46 3.080 0.738 5.992 1.00 10.00 C ATOM 722 CG LEU A 46 3.206 1.872 4.962 1.00 10.00 C ATOM 723 CD1 LEU A 46 2.830 1.377 3.565 1.00 10.00 C ATOM 724 CD2 LEU A 46 2.369 3.110 5.291 1.00 10.00 C ATOM 0 H LEU A 46 2.456 1.848 8.131 1.00 10.00 H new ATOM 0 HA LEU A 46 0.970 1.078 5.906 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.801 0.903 6.793 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.344 -0.206 5.515 1.00 10.00 H new ATOM 0 HG LEU A 46 4.253 2.174 4.996 1.00 10.00 H new ATOM 0 HD11 LEU A 46 2.926 2.195 2.851 1.00 10.00 H new ATOM 0 HD12 LEU A 46 3.495 0.563 3.276 1.00 10.00 H new ATOM 0 HD13 LEU A 46 1.800 1.019 3.571 1.00 10.00 H new ATOM 0 HD21 LEU A 46 2.513 3.863 4.516 1.00 10.00 H new ATOM 0 HD22 LEU A 46 1.315 2.835 5.338 1.00 10.00 H new ATOM 0 HD23 LEU A 46 2.681 3.515 6.254 1.00 10.00 H new ATOM 736 N ARG A 47 1.586 -1.534 7.799 1.00 10.00 N ATOM 737 CA ARG A 47 1.289 -2.946 8.010 1.00 10.00 C ATOM 738 C ARG A 47 -0.172 -3.161 8.423 1.00 10.00 C ATOM 739 O ARG A 47 -0.751 -4.201 8.129 1.00 10.00 O ATOM 740 CB ARG A 47 2.281 -3.516 9.039 1.00 10.00 C ATOM 741 CG ARG A 47 2.857 -4.886 8.641 1.00 10.00 C ATOM 742 CD ARG A 47 1.896 -6.069 8.839 1.00 10.00 C ATOM 743 NE ARG A 47 1.565 -6.242 10.263 1.00 10.00 N ATOM 744 CZ ARG A 47 1.012 -7.332 10.826 1.00 10.00 C ATOM 745 NH1 ARG A 47 0.526 -8.323 10.075 1.00 10.00 N ATOM 746 NH2 ARG A 47 0.955 -7.428 12.158 1.00 10.00 N ATOM 0 H ARG A 47 2.129 -1.122 8.557 1.00 10.00 H new ATOM 0 HA ARG A 47 1.412 -3.487 7.072 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.101 -2.810 9.171 1.00 10.00 H new ATOM 0 HB3 ARG A 47 1.780 -3.607 10.003 1.00 10.00 H new ATOM 0 HG2 ARG A 47 3.155 -4.849 7.593 1.00 10.00 H new ATOM 0 HG3 ARG A 47 3.760 -5.068 9.223 1.00 10.00 H new ATOM 0 HD2 ARG A 47 0.983 -5.902 8.267 1.00 10.00 H new ATOM 0 HD3 ARG A 47 2.351 -6.981 8.453 1.00 10.00 H new ATOM 0 HE ARG A 47 1.775 -5.460 10.883 1.00 10.00 H new ATOM 0 HH11 ARG A 47 0.571 -8.261 9.058 1.00 10.00 H new ATOM 0 HH12 ARG A 47 0.110 -9.142 10.518 1.00 10.00 H new ATOM 0 HH21 ARG A 47 1.329 -6.678 12.740 1.00 10.00 H new ATOM 0 HH22 ARG A 47 0.537 -8.251 12.593 1.00 10.00 H new ATOM 760 N ALA A 48 -0.768 -2.192 9.116 1.00 10.00 N ATOM 761 CA ALA A 48 -2.161 -2.236 9.537 1.00 10.00 C ATOM 762 C ALA A 48 -3.090 -1.951 8.357 1.00 10.00 C ATOM 763 O ALA A 48 -4.042 -2.688 8.122 1.00 10.00 O ATOM 764 CB ALA A 48 -2.367 -1.224 10.663 1.00 10.00 C ATOM 0 H ALA A 48 -0.285 -1.341 9.404 1.00 10.00 H new ATOM 0 HA ALA A 48 -2.404 -3.233 9.905 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -3.407 -1.247 10.987 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.719 -1.477 11.503 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -2.121 -0.225 10.304 1.00 10.00 H new ATOM 770 N GLN A 49 -2.813 -0.878 7.614 1.00 10.00 N ATOM 771 CA GLN A 49 -3.540 -0.515 6.413 1.00 10.00 C ATOM 772 C GLN A 49 -3.312 -1.552 5.308 1.00 10.00 C ATOM 773 O GLN A 49 -4.110 -1.657 4.374 1.00 10.00 O ATOM 774 CB GLN A 49 -3.096 0.894 5.993 1.00 10.00 C ATOM 775 CG GLN A 49 -4.032 1.968 6.567 1.00 10.00 C ATOM 776 CD GLN A 49 -3.980 2.141 8.086 1.00 10.00 C ATOM 777 OE1 GLN A 49 -3.084 1.657 8.766 1.00 10.00 O ATOM 778 NE2 GLN A 49 -4.941 2.866 8.651 1.00 10.00 N ATOM 0 H GLN A 49 -2.060 -0.229 7.842 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.613 -0.504 6.603 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.078 1.074 6.337 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.082 0.964 4.905 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.790 2.923 6.101 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -5.055 1.724 6.281 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -5.683 3.265 8.077 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -4.936 3.023 9.659 1.00 10.00 H new ATOM 787 N ALA A 50 -2.220 -2.315 5.399 1.00 10.00 N ATOM 788 CA ALA A 50 -1.982 -3.422 4.496 1.00 10.00 C ATOM 789 C ALA A 50 -3.171 -4.389 4.466 1.00 10.00 C ATOM 790 O ALA A 50 -3.778 -4.666 5.496 1.00 10.00 O ATOM 791 CB ALA A 50 -0.698 -4.158 4.861 1.00 10.00 C ATOM 0 H ALA A 50 -1.488 -2.178 6.096 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.866 -3.007 3.495 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.543 -4.985 4.168 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.145 -3.470 4.800 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.777 -4.546 5.876 1.00 10.00 H new ATOM 797 N GLY A 51 -3.481 -4.930 3.288 1.00 10.00 N ATOM 798 CA GLY A 51 -4.515 -5.932 3.097 1.00 10.00 C ATOM 799 C GLY A 51 -5.347 -5.635 1.863 1.00 10.00 C ATOM 800 O GLY A 51 -5.643 -6.541 1.091 1.00 10.00 O ATOM 0 H GLY A 51 -3.005 -4.674 2.423 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -4.057 -6.917 3.002 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -5.160 -5.964 3.975 1.00 10.00 H new ATOM 804 N GLY A 52 -5.707 -4.365 1.673 1.00 10.00 N ATOM 805 CA GLY A 52 -6.517 -3.943 0.540 1.00 10.00 C ATOM 806 C GLY A 52 -7.656 -3.028 0.962 1.00 10.00 C ATOM 807 O GLY A 52 -8.767 -3.167 0.462 1.00 10.00 O ATOM 0 H GLY A 52 -5.444 -3.605 2.301 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -5.887 -3.427 -0.184 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -6.924 -4.821 0.039 1.00 10.00 H new ATOM 811 N ASP A 53 -7.376 -2.074 1.853 1.00 10.00 N ATOM 812 CA ASP A 53 -8.346 -1.073 2.262 1.00 10.00 C ATOM 813 C ASP A 53 -7.593 0.038 2.982 1.00 10.00 C ATOM 814 O ASP A 53 -7.535 0.081 4.207 1.00 10.00 O ATOM 815 CB ASP A 53 -9.447 -1.680 3.142 1.00 10.00 C ATOM 816 CG ASP A 53 -10.610 -0.704 3.250 1.00 10.00 C ATOM 817 OD1 ASP A 53 -11.337 -0.587 2.241 1.00 10.00 O ATOM 818 OD2 ASP A 53 -10.743 -0.072 4.318 1.00 10.00 O ATOM 0 H ASP A 53 -6.468 -1.979 2.308 1.00 10.00 H new ATOM 0 HA ASP A 53 -8.855 -0.667 1.388 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -9.789 -2.623 2.716 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -9.053 -1.903 4.133 1.00 10.00 H new ATOM 823 N ALA A 54 -6.931 0.899 2.207 1.00 10.00 N ATOM 824 CA ALA A 54 -6.206 2.022 2.778 1.00 10.00 C ATOM 825 C ALA A 54 -6.375 3.276 1.941 1.00 10.00 C ATOM 826 O ALA A 54 -5.635 4.233 2.138 1.00 10.00 O ATOM 827 CB ALA A 54 -4.731 1.661 2.914 1.00 10.00 C ATOM 0 H ALA A 54 -6.885 0.836 1.190 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.618 2.233 3.765 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.188 2.504 3.342 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.627 0.794 3.566 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.321 1.427 1.931 1.00 10.00 H new ATOM 833 N THR A 55 -7.326 3.291 1.005 1.00 10.00 N ATOM 834 CA THR A 55 -7.504 4.430 0.123 1.00 10.00 C ATOM 835 C THR A 55 -7.867 5.660 0.965 1.00 10.00 C ATOM 836 O THR A 55 -7.161 6.667 0.943 1.00 10.00 O ATOM 837 CB THR A 55 -8.531 4.074 -0.964 1.00 10.00 C ATOM 838 OG1 THR A 55 -8.195 2.854 -1.610 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.533 5.127 -2.063 1.00 10.00 C ATOM 0 H THR A 55 -7.980 2.525 0.844 1.00 10.00 H new ATOM 0 HA THR A 55 -6.585 4.682 -0.405 1.00 10.00 H new ATOM 0 HB THR A 55 -9.496 4.005 -0.462 1.00 10.00 H new ATOM 0 HG1 THR A 55 -7.380 2.486 -1.210 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.266 4.858 -2.823 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.791 6.097 -1.637 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.543 5.182 -2.516 1.00 10.00 H new ATOM 847 N ALA A 56 -8.931 5.546 1.767 1.00 10.00 N ATOM 848 CA ALA A 56 -9.391 6.637 2.616 1.00 10.00 C ATOM 849 C ALA A 56 -8.286 7.071 3.584 1.00 10.00 C ATOM 850 O ALA A 56 -8.074 8.259 3.793 1.00 10.00 O ATOM 851 CB ALA A 56 -10.670 6.228 3.362 1.00 10.00 C ATOM 0 H ALA A 56 -9.491 4.697 1.842 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.631 7.495 1.989 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -11.003 7.052 3.993 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.450 5.985 2.641 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.466 5.356 3.983 1.00 10.00 H new ATOM 857 N ASN A 57 -7.578 6.106 4.177 1.00 10.00 N ATOM 858 CA ASN A 57 -6.537 6.363 5.170 1.00 10.00 C ATOM 859 C ASN A 57 -5.343 7.092 4.542 1.00 10.00 C ATOM 860 O ASN A 57 -4.852 8.090 5.069 1.00 10.00 O ATOM 861 CB ASN A 57 -6.095 5.039 5.803 1.00 10.00 C ATOM 862 CG ASN A 57 -7.281 4.253 6.343 1.00 10.00 C ATOM 863 OD1 ASN A 57 -7.892 3.490 5.606 1.00 10.00 O ATOM 864 ND2 ASN A 57 -7.621 4.430 7.616 1.00 10.00 N ATOM 0 H ASN A 57 -7.714 5.115 3.978 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.944 7.011 5.946 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -5.567 4.439 5.062 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -5.391 5.238 6.611 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -8.414 3.922 8.008 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -7.089 5.074 8.201 1.00 10.00 H new ATOM 871 N PHE A 58 -4.873 6.574 3.407 1.00 10.00 N ATOM 872 CA PHE A 58 -3.794 7.150 2.617 1.00 10.00 C ATOM 873 C PHE A 58 -4.112 8.604 2.275 1.00 10.00 C ATOM 874 O PHE A 58 -3.302 9.499 2.525 1.00 10.00 O ATOM 875 CB PHE A 58 -3.617 6.312 1.345 1.00 10.00 C ATOM 876 CG PHE A 58 -2.595 6.846 0.365 1.00 10.00 C ATOM 877 CD1 PHE A 58 -1.229 6.697 0.643 1.00 10.00 C ATOM 878 CD2 PHE A 58 -2.997 7.461 -0.836 1.00 10.00 C ATOM 879 CE1 PHE A 58 -0.266 7.098 -0.297 1.00 10.00 C ATOM 880 CE2 PHE A 58 -2.034 7.892 -1.763 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.666 7.707 -1.496 1.00 10.00 C ATOM 0 H PHE A 58 -5.247 5.715 3.003 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.865 7.139 3.186 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.330 5.300 1.631 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.580 6.239 0.839 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -0.916 6.272 1.585 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.047 7.602 -1.045 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.783 6.938 -0.097 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.345 8.366 -2.682 1.00 10.00 H new ATOM 0 HZ PHE A 58 0.074 8.033 -2.212 1.00 10.00 H new ATOM 891 N GLU A 59 -5.304 8.824 1.715 1.00 10.00 N ATOM 892 CA GLU A 59 -5.771 10.145 1.331 1.00 10.00 C ATOM 893 C GLU A 59 -5.960 11.043 2.557 1.00 10.00 C ATOM 894 O GLU A 59 -5.627 12.223 2.506 1.00 10.00 O ATOM 895 CB GLU A 59 -7.065 10.002 0.528 1.00 10.00 C ATOM 896 CG GLU A 59 -6.809 9.327 -0.827 1.00 10.00 C ATOM 897 CD GLU A 59 -6.269 10.301 -1.874 1.00 10.00 C ATOM 898 OE1 GLU A 59 -7.113 11.006 -2.469 1.00 10.00 O ATOM 899 OE2 GLU A 59 -5.032 10.335 -2.063 1.00 10.00 O ATOM 0 H GLU A 59 -5.973 8.080 1.517 1.00 10.00 H new ATOM 0 HA GLU A 59 -5.020 10.628 0.705 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.786 9.416 1.098 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -7.507 10.985 0.369 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -6.099 8.511 -0.694 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -7.737 8.886 -1.190 1.00 10.00 H new ATOM 906 N ALA A 60 -6.483 10.493 3.660 1.00 10.00 N ATOM 907 CA ALA A 60 -6.640 11.216 4.918 1.00 10.00 C ATOM 908 C ALA A 60 -5.309 11.818 5.357 1.00 10.00 C ATOM 909 O ALA A 60 -5.255 12.993 5.709 1.00 10.00 O ATOM 910 CB ALA A 60 -7.214 10.307 6.013 1.00 10.00 C ATOM 0 H ALA A 60 -6.810 9.528 3.700 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.349 12.027 4.755 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -7.319 10.874 6.938 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -8.190 9.935 5.702 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.541 9.466 6.178 1.00 10.00 H new ATOM 916 N VAL A 61 -4.240 11.018 5.346 1.00 10.00 N ATOM 917 CA VAL A 61 -2.913 11.545 5.637 1.00 10.00 C ATOM 918 C VAL A 61 -2.492 12.540 4.548 1.00 10.00 C ATOM 919 O VAL A 61 -2.071 13.653 4.857 1.00 10.00 O ATOM 920 CB VAL A 61 -1.912 10.394 5.818 1.00 10.00 C ATOM 921 CG1 VAL A 61 -0.483 10.940 5.905 1.00 10.00 C ATOM 922 CG2 VAL A 61 -2.231 9.622 7.105 1.00 10.00 C ATOM 0 H VAL A 61 -4.269 10.019 5.142 1.00 10.00 H new ATOM 0 HA VAL A 61 -2.931 12.095 6.578 1.00 10.00 H new ATOM 0 HB VAL A 61 -1.993 9.728 4.959 1.00 10.00 H new ATOM 0 HG11 VAL A 61 0.215 10.113 6.033 1.00 10.00 H new ATOM 0 HG12 VAL A 61 -0.243 11.479 4.988 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -0.403 11.617 6.755 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -1.517 8.807 7.227 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -2.163 10.295 7.960 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -3.240 9.214 7.044 1.00 10.00 H new ATOM 932 N GLY A 62 -2.617 12.145 3.280 1.00 10.00 N ATOM 933 CA GLY A 62 -2.205 12.967 2.153 1.00 10.00 C ATOM 934 C GLY A 62 -0.730 12.728 1.841 1.00 10.00 C ATOM 935 O GLY A 62 0.037 12.330 2.714 1.00 10.00 O ATOM 0 H GLY A 62 -3.009 11.243 3.010 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -2.812 12.731 1.279 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -2.371 14.020 2.381 1.00 10.00 H new ATOM 939 N HIS A 63 -0.350 12.906 0.574 1.00 10.00 N ATOM 940 CA HIS A 63 0.945 12.508 0.047 1.00 10.00 C ATOM 941 C HIS A 63 1.274 13.442 -1.131 1.00 10.00 C ATOM 942 O HIS A 63 0.423 13.624 -2.004 1.00 10.00 O ATOM 943 CB HIS A 63 0.852 11.027 -0.372 1.00 10.00 C ATOM 944 CG HIS A 63 0.925 10.032 0.774 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.094 9.628 1.614 1.00 10.00 N ATOM 946 CD2 HIS A 63 2.043 9.342 1.150 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.423 8.735 2.484 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.723 8.500 2.226 1.00 10.00 N ATOM 0 H HIS A 63 -0.952 13.341 -0.125 1.00 10.00 H new ATOM 0 HA HIS A 63 1.747 12.595 0.780 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.085 10.874 -0.907 1.00 10.00 H new ATOM 0 HB3 HIS A 63 1.658 10.812 -1.073 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.062 9.947 1.583 1.00 10.00 H new ATOM 0 HD2 HIS A 63 3.017 9.431 0.692 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.134 8.269 3.283 1.00 10.00 H new ATOM 956 N SER A 64 2.456 14.075 -1.145 1.00 10.00 N ATOM 957 CA SER A 64 2.851 15.043 -2.174 1.00 10.00 C ATOM 958 C SER A 64 2.981 14.413 -3.572 1.00 10.00 C ATOM 959 O SER A 64 2.842 13.204 -3.736 1.00 10.00 O ATOM 960 CB SER A 64 4.158 15.729 -1.750 1.00 10.00 C ATOM 961 OG SER A 64 3.972 16.415 -0.529 1.00 10.00 O ATOM 0 H SER A 64 3.171 13.926 -0.433 1.00 10.00 H new ATOM 0 HA SER A 64 2.057 15.785 -2.256 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.949 14.987 -1.642 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.479 16.427 -2.523 1.00 10.00 H new ATOM 0 HG SER A 64 4.811 16.848 -0.266 1.00 10.00 H new ATOM 967 N THR A 65 3.258 15.228 -4.599 1.00 10.00 N ATOM 968 CA THR A 65 3.423 14.777 -5.978 1.00 10.00 C ATOM 969 C THR A 65 4.425 13.629 -6.063 1.00 10.00 C ATOM 970 O THR A 65 4.091 12.542 -6.530 1.00 10.00 O ATOM 971 CB THR A 65 3.889 15.960 -6.839 1.00 10.00 C ATOM 972 OG1 THR A 65 5.026 16.548 -6.232 1.00 10.00 O ATOM 973 CG2 THR A 65 2.800 17.033 -6.965 1.00 10.00 C ATOM 0 H THR A 65 3.375 16.235 -4.488 1.00 10.00 H new ATOM 0 HA THR A 65 2.467 14.408 -6.348 1.00 10.00 H new ATOM 0 HB THR A 65 4.120 15.582 -7.835 1.00 10.00 H new ATOM 0 HG1 THR A 65 5.333 17.304 -6.775 1.00 10.00 H new ATOM 0 HG21 THR A 65 3.167 17.854 -7.581 1.00 10.00 H new ATOM 0 HG22 THR A 65 1.914 16.599 -7.429 1.00 10.00 H new ATOM 0 HG23 THR A 65 2.544 17.410 -5.975 1.00 10.00 H new ATOM 981 N ASP A 66 5.641 13.886 -5.582 1.00 10.00 N ATOM 982 CA ASP A 66 6.733 12.925 -5.529 1.00 10.00 C ATOM 983 C ASP A 66 6.235 11.583 -4.989 1.00 10.00 C ATOM 984 O ASP A 66 6.442 10.540 -5.597 1.00 10.00 O ATOM 985 CB ASP A 66 7.870 13.494 -4.665 1.00 10.00 C ATOM 986 CG ASP A 66 9.226 13.208 -5.290 1.00 10.00 C ATOM 987 OD1 ASP A 66 9.546 13.914 -6.270 1.00 10.00 O ATOM 988 OD2 ASP A 66 9.911 12.299 -4.777 1.00 10.00 O ATOM 0 H ASP A 66 5.897 14.799 -5.207 1.00 10.00 H new ATOM 0 HA ASP A 66 7.117 12.750 -6.534 1.00 10.00 H new ATOM 0 HB2 ASP A 66 7.739 14.570 -4.548 1.00 10.00 H new ATOM 0 HB3 ASP A 66 7.826 13.058 -3.667 1.00 10.00 H new ATOM 993 N ALA A 67 5.505 11.619 -3.872 1.00 10.00 N ATOM 994 CA ALA A 67 4.908 10.445 -3.251 1.00 10.00 C ATOM 995 C ALA A 67 3.850 9.791 -4.156 1.00 10.00 C ATOM 996 O ALA A 67 3.822 8.568 -4.305 1.00 10.00 O ATOM 997 CB ALA A 67 4.322 10.850 -1.898 1.00 10.00 C ATOM 0 H ALA A 67 5.311 12.484 -3.368 1.00 10.00 H new ATOM 0 HA ALA A 67 5.680 9.691 -3.099 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.871 9.979 -1.421 1.00 10.00 H new ATOM 0 HB2 ALA A 67 5.115 11.243 -1.261 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.562 11.617 -2.046 1.00 10.00 H new ATOM 1003 N ARG A 68 2.981 10.608 -4.762 1.00 10.00 N ATOM 1004 CA ARG A 68 1.944 10.188 -5.705 1.00 10.00 C ATOM 1005 C ARG A 68 2.552 9.474 -6.923 1.00 10.00 C ATOM 1006 O ARG A 68 1.913 8.609 -7.520 1.00 10.00 O ATOM 1007 CB ARG A 68 1.132 11.413 -6.176 1.00 10.00 C ATOM 1008 CG ARG A 68 -0.393 11.263 -6.041 1.00 10.00 C ATOM 1009 CD ARG A 68 -0.954 11.902 -4.759 1.00 10.00 C ATOM 1010 NE ARG A 68 -2.293 12.493 -4.959 1.00 10.00 N ATOM 1011 CZ ARG A 68 -2.534 13.602 -5.681 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -1.520 14.224 -6.296 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -3.779 14.078 -5.803 1.00 10.00 N ATOM 0 H ARG A 68 2.983 11.615 -4.602 1.00 10.00 H new ATOM 0 HA ARG A 68 1.287 9.487 -5.190 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.450 12.285 -5.604 1.00 10.00 H new ATOM 0 HB3 ARG A 68 1.373 11.612 -7.220 1.00 10.00 H new ATOM 0 HG2 ARG A 68 -0.874 11.718 -6.907 1.00 10.00 H new ATOM 0 HG3 ARG A 68 -0.650 10.204 -6.054 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -1.007 11.147 -3.974 1.00 10.00 H new ATOM 0 HD3 ARG A 68 -0.268 12.675 -4.412 1.00 10.00 H new ATOM 0 HE ARG A 68 -3.088 12.029 -4.520 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -0.572 13.856 -6.215 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -1.696 15.065 -6.845 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -4.555 13.599 -5.346 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -3.952 14.920 -6.353 1.00 10.00 H new ATOM 1027 N GLU A 69 3.758 9.879 -7.322 1.00 10.00 N ATOM 1028 CA GLU A 69 4.502 9.288 -8.430 1.00 10.00 C ATOM 1029 C GLU A 69 5.272 8.053 -7.946 1.00 10.00 C ATOM 1030 O GLU A 69 5.344 7.029 -8.627 1.00 10.00 O ATOM 1031 CB GLU A 69 5.415 10.361 -9.033 1.00 10.00 C ATOM 1032 CG GLU A 69 4.702 11.138 -10.151 1.00 10.00 C ATOM 1033 CD GLU A 69 4.926 10.487 -11.512 1.00 10.00 C ATOM 1034 OE1 GLU A 69 5.922 10.871 -12.161 1.00 10.00 O ATOM 1035 OE2 GLU A 69 4.104 9.615 -11.869 1.00 10.00 O ATOM 0 H GLU A 69 4.255 10.647 -6.871 1.00 10.00 H new ATOM 0 HA GLU A 69 3.826 8.943 -9.213 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.732 11.052 -8.252 1.00 10.00 H new ATOM 0 HB3 GLU A 69 6.316 9.893 -9.430 1.00 10.00 H new ATOM 0 HG2 GLU A 69 3.634 11.184 -9.940 1.00 10.00 H new ATOM 0 HG3 GLU A 69 5.067 12.165 -10.173 1.00 10.00 H new ATOM 1042 N LEU A 70 5.834 8.127 -6.741 1.00 10.00 N ATOM 1043 CA LEU A 70 6.536 7.019 -6.121 1.00 10.00 C ATOM 1044 C LEU A 70 5.598 5.816 -6.058 1.00 10.00 C ATOM 1045 O LEU A 70 5.905 4.758 -6.602 1.00 10.00 O ATOM 1046 CB LEU A 70 7.085 7.465 -4.756 1.00 10.00 C ATOM 1047 CG LEU A 70 7.884 6.448 -3.922 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.421 5.312 -4.770 1.00 10.00 C ATOM 1049 CD2 LEU A 70 9.000 7.104 -3.100 1.00 10.00 C ATOM 0 H LEU A 70 5.811 8.969 -6.166 1.00 10.00 H new ATOM 0 HA LEU A 70 7.401 6.709 -6.707 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.723 8.333 -4.922 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.242 7.800 -4.152 1.00 10.00 H new ATOM 0 HG LEU A 70 7.176 6.021 -3.211 1.00 10.00 H new ATOM 0 HD11 LEU A 70 8.978 4.619 -4.139 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.591 4.786 -5.242 1.00 10.00 H new ATOM 0 HD13 LEU A 70 9.081 5.713 -5.539 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.530 6.340 -2.532 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.697 7.608 -3.770 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.567 7.831 -2.414 1.00 10.00 H new ATOM 1061 N SER A 71 4.433 5.984 -5.437 1.00 10.00 N ATOM 1062 CA SER A 71 3.387 4.968 -5.429 1.00 10.00 C ATOM 1063 C SER A 71 3.270 4.301 -6.802 1.00 10.00 C ATOM 1064 O SER A 71 3.466 3.099 -6.906 1.00 10.00 O ATOM 1065 CB SER A 71 2.058 5.559 -4.956 1.00 10.00 C ATOM 1066 OG SER A 71 1.519 6.441 -5.912 1.00 10.00 O ATOM 0 H SER A 71 4.188 6.831 -4.924 1.00 10.00 H new ATOM 0 HA SER A 71 3.661 4.190 -4.716 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.349 4.754 -4.761 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.208 6.088 -4.015 1.00 10.00 H new ATOM 0 HG SER A 71 2.221 7.044 -6.233 1.00 10.00 H new ATOM 1072 N LYS A 72 3.014 5.064 -7.866 1.00 10.00 N ATOM 1073 CA LYS A 72 2.968 4.536 -9.229 1.00 10.00 C ATOM 1074 C LYS A 72 4.205 3.692 -9.582 1.00 10.00 C ATOM 1075 O LYS A 72 4.066 2.610 -10.144 1.00 10.00 O ATOM 1076 CB LYS A 72 2.780 5.680 -10.227 1.00 10.00 C ATOM 1077 CG LYS A 72 1.373 6.284 -10.142 1.00 10.00 C ATOM 1078 CD LYS A 72 0.619 5.929 -11.428 1.00 10.00 C ATOM 1079 CE LYS A 72 -0.787 6.535 -11.451 1.00 10.00 C ATOM 1080 NZ LYS A 72 -1.313 6.602 -12.830 1.00 10.00 N ATOM 0 H LYS A 72 2.833 6.066 -7.806 1.00 10.00 H new ATOM 0 HA LYS A 72 2.112 3.863 -9.289 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.521 6.456 -10.034 1.00 10.00 H new ATOM 0 HB3 LYS A 72 2.958 5.313 -11.238 1.00 10.00 H new ATOM 0 HG2 LYS A 72 0.844 5.894 -9.272 1.00 10.00 H new ATOM 0 HG3 LYS A 72 1.431 7.366 -10.022 1.00 10.00 H new ATOM 0 HD2 LYS A 72 1.183 6.287 -12.290 1.00 10.00 H new ATOM 0 HD3 LYS A 72 0.549 4.845 -11.520 1.00 10.00 H new ATOM 0 HE2 LYS A 72 -1.455 5.936 -10.832 1.00 10.00 H new ATOM 0 HE3 LYS A 72 -0.763 7.535 -11.018 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 -2.267 7.016 -12.818 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 -0.686 7.193 -13.412 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 -1.357 5.644 -13.232 1.00 10.00 H new ATOM 1094 N THR A 73 5.408 4.138 -9.224 1.00 10.00 N ATOM 1095 CA THR A 73 6.633 3.346 -9.370 1.00 10.00 C ATOM 1096 C THR A 73 6.550 1.994 -8.635 1.00 10.00 C ATOM 1097 O THR A 73 7.148 1.016 -9.077 1.00 10.00 O ATOM 1098 CB THR A 73 7.867 4.199 -8.988 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.394 4.828 -10.139 1.00 10.00 O ATOM 1100 CG2 THR A 73 8.998 3.426 -8.302 1.00 10.00 C ATOM 0 H THR A 73 5.563 5.063 -8.823 1.00 10.00 H new ATOM 0 HA THR A 73 6.751 3.073 -10.419 1.00 10.00 H new ATOM 0 HB THR A 73 7.495 4.922 -8.262 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.173 5.367 -9.889 1.00 10.00 H new ATOM 0 HG21 THR A 73 9.818 4.107 -8.073 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.627 2.981 -7.379 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.355 2.639 -8.966 1.00 10.00 H new ATOM 1108 N PHE A 74 5.791 1.925 -7.540 1.00 10.00 N ATOM 1109 CA PHE A 74 5.523 0.700 -6.784 1.00 10.00 C ATOM 1110 C PHE A 74 4.241 0.005 -7.234 1.00 10.00 C ATOM 1111 O PHE A 74 3.865 -1.004 -6.633 1.00 10.00 O ATOM 1112 CB PHE A 74 5.407 0.999 -5.281 1.00 10.00 C ATOM 1113 CG PHE A 74 6.725 1.080 -4.554 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.558 -0.053 -4.513 1.00 10.00 C ATOM 1115 CD2 PHE A 74 7.048 2.217 -3.795 1.00 10.00 C ATOM 1116 CE1 PHE A 74 8.760 -0.017 -3.792 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.249 2.250 -3.071 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.110 1.140 -3.081 1.00 10.00 C ATOM 0 H PHE A 74 5.332 2.745 -7.143 1.00 10.00 H new ATOM 0 HA PHE A 74 6.367 0.037 -6.976 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.877 1.943 -5.151 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.797 0.224 -4.816 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.271 -0.952 -5.038 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.375 3.061 -3.769 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.414 -0.877 -3.784 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.512 3.131 -2.504 1.00 10.00 H new ATOM 0 HZ PHE A 74 10.044 1.178 -2.540 1.00 10.00 H new ATOM 1128 N ILE A 75 3.534 0.532 -8.237 1.00 10.00 N ATOM 1129 CA ILE A 75 2.321 -0.124 -8.688 1.00 10.00 C ATOM 1130 C ILE A 75 2.685 -1.536 -9.152 1.00 10.00 C ATOM 1131 O ILE A 75 3.587 -1.712 -9.969 1.00 10.00 O ATOM 1132 CB ILE A 75 1.592 0.711 -9.750 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.085 0.620 -9.501 1.00 10.00 C ATOM 1134 CG2 ILE A 75 1.970 0.334 -11.188 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.689 1.345 -10.590 1.00 10.00 C ATOM 0 H ILE A 75 3.778 1.388 -8.736 1.00 10.00 H new ATOM 0 HA ILE A 75 1.605 -0.212 -7.871 1.00 10.00 H new ATOM 0 HB ILE A 75 1.914 1.748 -9.649 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.220 -0.426 -9.468 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -0.154 1.053 -8.530 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.418 0.963 -11.886 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.040 0.482 -11.334 1.00 10.00 H new ATOM 0 HG23 ILE A 75 1.721 -0.712 -11.367 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.758 1.266 -10.391 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.399 2.396 -10.604 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.466 0.894 -11.557 1.00 10.00 H new ATOM 1147 N ILE A 76 2.007 -2.544 -8.614 1.00 10.00 N ATOM 1148 CA ILE A 76 2.184 -3.924 -9.054 1.00 10.00 C ATOM 1149 C ILE A 76 1.064 -4.306 -10.019 1.00 10.00 C ATOM 1150 O ILE A 76 1.194 -5.259 -10.783 1.00 10.00 O ATOM 1151 CB ILE A 76 2.313 -4.868 -7.849 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.272 -4.535 -6.769 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.740 -4.756 -7.291 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.167 -5.609 -5.691 1.00 10.00 C ATOM 0 H ILE A 76 1.324 -2.430 -7.866 1.00 10.00 H new ATOM 0 HA ILE A 76 3.119 -4.022 -9.605 1.00 10.00 H new ATOM 0 HB ILE A 76 2.123 -5.893 -8.168 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.531 -3.584 -6.303 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.298 -4.404 -7.240 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.849 -5.421 -6.434 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.456 -5.039 -8.063 1.00 10.00 H new ATOM 0 HG23 ILE A 76 3.929 -3.729 -6.980 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.416 -5.316 -4.958 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.879 -6.556 -6.148 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.132 -5.724 -5.196 1.00 10.00 H new ATOM 1166 N GLY A 77 -0.028 -3.542 -10.010 1.00 10.00 N ATOM 1167 CA GLY A 77 -1.144 -3.726 -10.903 1.00 10.00 C ATOM 1168 C GLY A 77 -2.355 -3.088 -10.262 1.00 10.00 C ATOM 1169 O GLY A 77 -2.234 -2.211 -9.403 1.00 10.00 O ATOM 0 H GLY A 77 -0.152 -2.764 -9.363 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -0.939 -3.269 -11.871 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.320 -4.787 -11.082 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.519 -3.580 -10.660 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.792 -3.025 -10.287 1.00 10.00 C ATOM 1175 C GLU A 78 -5.641 -4.062 -9.568 1.00 10.00 C ATOM 1176 O GLU A 78 -5.375 -5.265 -9.572 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.475 -2.432 -11.528 1.00 10.00 C ATOM 1178 CG GLU A 78 -5.187 -0.940 -11.739 1.00 10.00 C ATOM 1179 CD GLU A 78 -4.254 -0.699 -12.917 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -4.775 -0.714 -14.053 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -3.046 -0.515 -12.658 1.00 10.00 O ATOM 0 H GLU A 78 -3.596 -4.397 -11.266 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.651 -2.211 -9.576 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -5.149 -2.984 -12.410 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.552 -2.576 -11.442 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -6.125 -0.410 -11.905 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.743 -0.525 -10.834 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.671 -3.544 -8.916 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.676 -4.335 -8.246 1.00 10.00 C ATOM 1190 C LEU A 79 -8.383 -5.194 -9.297 1.00 10.00 C ATOM 1191 O LEU A 79 -8.782 -4.680 -10.342 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.643 -3.361 -7.570 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.860 -4.079 -6.978 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.507 -4.712 -5.627 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -11.057 -3.132 -6.902 1.00 10.00 C ATOM 0 H LEU A 79 -6.829 -2.539 -8.840 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.253 -4.998 -7.492 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.121 -2.821 -6.780 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -8.977 -2.619 -8.296 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.152 -4.897 -7.637 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.384 -5.217 -5.222 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.702 -5.434 -5.763 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -9.184 -3.935 -4.934 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.912 -3.659 -6.479 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.807 -2.280 -6.270 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.307 -2.780 -7.903 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.576 -6.479 -9.012 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.287 -7.402 -9.889 1.00 10.00 C ATOM 1209 C HIS A 80 -10.679 -6.888 -10.278 1.00 10.00 C ATOM 1210 O HIS A 80 -11.375 -6.285 -9.460 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.369 -8.766 -9.201 1.00 10.00 C ATOM 1212 CG HIS A 80 -9.395 -9.937 -10.142 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -10.489 -10.701 -10.462 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -8.313 -10.482 -10.780 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -10.085 -11.661 -11.307 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -8.766 -11.564 -11.539 1.00 10.00 N ATOM 0 H HIS A 80 -8.238 -6.913 -8.153 1.00 10.00 H new ATOM 0 HA HIS A 80 -8.732 -7.492 -10.823 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.516 -8.873 -8.531 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.266 -8.793 -8.582 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.292 -10.137 -10.709 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -10.732 -12.409 -11.741 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -8.206 -12.161 -12.148 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.122 -7.141 -11.518 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.456 -6.769 -11.953 1.00 10.00 C ATOM 1226 C PRO A 81 -13.558 -7.605 -11.283 1.00 10.00 C ATOM 1227 O PRO A 81 -14.727 -7.273 -11.432 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.453 -6.896 -13.476 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.341 -7.904 -13.763 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.362 -7.731 -12.609 1.00 10.00 C ATOM 0 HA PRO A 81 -12.692 -5.748 -11.651 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.415 -7.247 -13.849 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.256 -5.937 -13.956 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -11.729 -8.922 -13.805 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -10.863 -7.705 -14.722 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -9.936 -8.690 -12.313 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -9.530 -7.088 -12.897 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.198 -8.671 -10.555 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.139 -9.485 -9.784 1.00 10.00 C ATOM 1240 C ASP A 82 -14.484 -8.825 -8.439 1.00 10.00 C ATOM 1241 O ASP A 82 -15.542 -9.078 -7.871 1.00 10.00 O ATOM 1242 CB ASP A 82 -13.547 -10.884 -9.568 1.00 10.00 C ATOM 1243 CG ASP A 82 -14.585 -11.881 -9.073 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -15.493 -12.191 -9.872 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -14.400 -12.367 -7.937 1.00 10.00 O ATOM 0 H ASP A 82 -12.233 -8.994 -10.486 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.068 -9.570 -10.348 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.119 -11.243 -10.504 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -12.732 -10.824 -8.847 1.00 10.00 H new ATOM 1250 N ASP A 83 -13.568 -7.997 -7.918 1.00 10.00 N ATOM 1251 CA ASP A 83 -13.748 -7.285 -6.657 1.00 10.00 C ATOM 1252 C ASP A 83 -14.721 -6.114 -6.845 1.00 10.00 C ATOM 1253 O ASP A 83 -15.675 -5.965 -6.081 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.372 -6.828 -6.152 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.445 -5.879 -4.962 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -12.992 -4.768 -5.108 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -11.863 -6.260 -3.931 1.00 10.00 O ATOM 0 H ASP A 83 -12.674 -7.805 -8.369 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.188 -7.940 -5.905 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -11.787 -7.704 -5.872 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -11.840 -6.336 -6.966 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.441 -5.283 -7.854 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.199 -4.068 -8.133 1.00 10.00 C ATOM 1264 C ARG A 84 -16.599 -4.358 -8.687 1.00 10.00 C ATOM 1265 O ARG A 84 -16.847 -5.514 -9.091 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.412 -3.176 -9.104 1.00 10.00 C ATOM 1267 CG ARG A 84 -14.366 -3.792 -10.509 1.00 10.00 C ATOM 1268 CD ARG A 84 -13.411 -3.037 -11.441 1.00 10.00 C ATOM 1269 NE ARG A 84 -12.012 -3.092 -10.975 1.00 10.00 N ATOM 1270 CZ ARG A 84 -11.064 -2.201 -11.318 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -11.349 -1.215 -12.174 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -9.830 -2.292 -10.820 1.00 10.00 N ATOM 0 H ARG A 84 -13.672 -5.441 -8.505 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.339 -3.547 -7.186 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.873 -2.190 -9.151 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -13.397 -3.036 -8.732 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.053 -4.834 -10.437 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -15.368 -3.789 -10.938 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -13.474 -3.461 -12.443 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -13.726 -1.996 -11.515 1.00 10.00 H new ATOM 0 HE ARG A 84 -11.746 -3.855 -10.352 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.286 -1.137 -12.568 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -10.629 -0.540 -12.433 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -9.596 -3.043 -10.171 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -9.120 -1.610 -11.088 1.00 10.00 H new