USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 738 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 HIS : no HD1:sc= -5.38! C(o=-5.4!,f=-5!) USER MOD Set 1.2: A 86 MET CE :methyl -178:sc= 0 (180deg=-0.0095) USER MOD Set 2.1: A 32 ASN : amide:sc= -0.219 X(o=-0.64,f=-0.75) USER MOD Set 2.2: A 76 MET CE :methyl -147:sc= -0.422 (180deg=-0.265) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc=-0.00914 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -157:sc= -0.961 (180deg=-1.27) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0986) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 158:sc= -2.03 (180deg=-3.46) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.238 USER MOD Single : A 38 CYS SG : rot 180:sc= -0.0695 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.21) USER MOD Single : A 51 ASN : amide:sc= -1.03 X(o=-1,f=-1.2) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc=-0.00533 X(o=-0.0053,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 170:sc= -0.441 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 159:sc= 0.0974 (180deg=-0.431) USER MOD Single : A 82 MET CE :methyl -103:sc= -1.54 (180deg=-3.82!) USER MOD Single : A 85 HIS : no HD1:sc= -1.29 K(o=-1.3,f=0.18) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.462 X(o=-0.46,f=-0.44) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -18:sc= 0.567 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.644 -11.920 -30.882 1.00 0.00 N ATOM 2 CA GLY A 1 22.884 -12.542 -31.950 1.00 0.00 C ATOM 3 C GLY A 1 21.394 -12.291 -31.824 1.00 0.00 C ATOM 4 O GLY A 1 20.645 -13.167 -31.391 1.00 0.00 O ATOM 0 H1 GLY A 1 24.656 -12.121 -31.013 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.490 -10.892 -30.900 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.332 -12.301 -29.966 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.234 -12.161 -32.910 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.070 -13.616 -31.946 1.00 0.00 H new ATOM 8 N SER A 2 20.964 -11.092 -32.201 1.00 0.00 N ATOM 9 CA SER A 2 19.554 -10.725 -32.122 1.00 0.00 C ATOM 10 C SER A 2 18.919 -10.707 -33.509 1.00 0.00 C ATOM 11 O SER A 2 19.254 -9.868 -34.346 1.00 0.00 O ATOM 12 CB SER A 2 19.398 -9.356 -31.459 1.00 0.00 C ATOM 13 OG SER A 2 20.010 -9.335 -30.181 1.00 0.00 O ATOM 0 H SER A 2 21.571 -10.357 -32.564 1.00 0.00 H new ATOM 0 HA SER A 2 19.042 -11.474 -31.517 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.844 -8.589 -32.092 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.340 -9.114 -31.363 1.00 0.00 H new ATOM 0 HG SER A 2 19.898 -8.448 -29.779 1.00 0.00 H new ATOM 19 N SER A 3 18.002 -11.639 -33.746 1.00 0.00 N ATOM 20 CA SER A 3 17.322 -11.733 -35.032 1.00 0.00 C ATOM 21 C SER A 3 15.975 -12.434 -34.885 1.00 0.00 C ATOM 22 O SER A 3 15.789 -13.266 -33.997 1.00 0.00 O ATOM 23 CB SER A 3 18.193 -12.485 -36.040 1.00 0.00 C ATOM 24 OG SER A 3 17.942 -12.042 -37.362 1.00 0.00 O ATOM 0 H SER A 3 17.713 -12.340 -33.064 1.00 0.00 H new ATOM 0 HA SER A 3 17.147 -10.721 -35.397 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.245 -12.337 -35.797 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.996 -13.555 -35.968 1.00 0.00 H new ATOM 0 HG SER A 3 18.512 -12.537 -37.987 1.00 0.00 H new ATOM 30 N GLY A 4 15.037 -12.092 -35.763 1.00 0.00 N ATOM 31 CA GLY A 4 13.719 -12.697 -35.714 1.00 0.00 C ATOM 32 C GLY A 4 12.614 -11.706 -36.027 1.00 0.00 C ATOM 33 O GLY A 4 12.600 -11.099 -37.098 1.00 0.00 O ATOM 0 H GLY A 4 15.166 -11.407 -36.507 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.675 -13.522 -36.425 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.553 -13.120 -34.723 1.00 0.00 H new ATOM 37 N SER A 5 11.685 -11.543 -35.090 1.00 0.00 N ATOM 38 CA SER A 5 10.569 -10.623 -35.273 1.00 0.00 C ATOM 39 C SER A 5 10.775 -9.350 -34.456 1.00 0.00 C ATOM 40 O SER A 5 10.109 -9.135 -33.444 1.00 0.00 O ATOM 41 CB SER A 5 9.255 -11.294 -34.869 1.00 0.00 C ATOM 42 OG SER A 5 8.146 -10.463 -35.162 1.00 0.00 O ATOM 0 H SER A 5 11.683 -12.036 -34.197 1.00 0.00 H new ATOM 0 HA SER A 5 10.522 -10.354 -36.328 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.151 -12.243 -35.395 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.272 -11.521 -33.803 1.00 0.00 H new ATOM 0 HG SER A 5 7.319 -10.916 -34.896 1.00 0.00 H new ATOM 48 N SER A 6 11.702 -8.511 -34.905 1.00 0.00 N ATOM 49 CA SER A 6 12.000 -7.261 -34.215 1.00 0.00 C ATOM 50 C SER A 6 10.858 -6.262 -34.384 1.00 0.00 C ATOM 51 O SER A 6 10.881 -5.422 -35.283 1.00 0.00 O ATOM 52 CB SER A 6 13.302 -6.658 -34.745 1.00 0.00 C ATOM 53 OG SER A 6 13.920 -5.839 -33.767 1.00 0.00 O ATOM 0 H SER A 6 12.260 -8.674 -35.743 1.00 0.00 H new ATOM 0 HA SER A 6 12.115 -7.480 -33.153 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.983 -7.457 -35.038 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.096 -6.070 -35.639 1.00 0.00 H new ATOM 0 HG SER A 6 14.751 -5.467 -34.130 1.00 0.00 H new ATOM 59 N GLY A 7 9.860 -6.361 -33.512 1.00 0.00 N ATOM 60 CA GLY A 7 8.722 -5.462 -33.581 1.00 0.00 C ATOM 61 C GLY A 7 8.912 -4.221 -32.733 1.00 0.00 C ATOM 62 O GLY A 7 9.550 -3.260 -33.161 1.00 0.00 O ATOM 0 H GLY A 7 9.819 -7.048 -32.759 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.557 -5.168 -34.618 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.826 -5.989 -33.253 1.00 0.00 H new ATOM 66 N MET A 8 8.355 -4.240 -31.526 1.00 0.00 N ATOM 67 CA MET A 8 8.467 -3.106 -30.615 1.00 0.00 C ATOM 68 C MET A 8 9.150 -3.519 -29.315 1.00 0.00 C ATOM 69 O MET A 8 8.724 -4.464 -28.651 1.00 0.00 O ATOM 70 CB MET A 8 7.083 -2.527 -30.316 1.00 0.00 C ATOM 71 CG MET A 8 6.644 -1.459 -31.304 1.00 0.00 C ATOM 72 SD MET A 8 4.913 -0.995 -31.103 1.00 0.00 S ATOM 73 CE MET A 8 4.162 -1.897 -32.456 1.00 0.00 C ATOM 0 H MET A 8 7.822 -5.027 -31.156 1.00 0.00 H new ATOM 0 HA MET A 8 9.076 -2.342 -31.098 1.00 0.00 H new ATOM 0 HB2 MET A 8 6.352 -3.335 -30.319 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.085 -2.103 -29.312 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.270 -0.575 -31.179 1.00 0.00 H new ATOM 0 HG3 MET A 8 6.803 -1.822 -32.319 1.00 0.00 H new ATOM 0 HE1 MET A 8 3.088 -1.712 -32.465 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.596 -1.565 -33.399 1.00 0.00 H new ATOM 0 HE3 MET A 8 4.345 -2.964 -32.328 1.00 0.00 H new ATOM 83 N LEU A 9 10.212 -2.805 -28.959 1.00 0.00 N ATOM 84 CA LEU A 9 10.955 -3.097 -27.737 1.00 0.00 C ATOM 85 C LEU A 9 10.722 -2.015 -26.687 1.00 0.00 C ATOM 86 O LEU A 9 11.110 -0.862 -26.873 1.00 0.00 O ATOM 87 CB LEU A 9 12.449 -3.215 -28.042 1.00 0.00 C ATOM 88 CG LEU A 9 12.941 -4.600 -28.463 1.00 0.00 C ATOM 89 CD1 LEU A 9 12.702 -5.612 -27.353 1.00 0.00 C ATOM 90 CD2 LEU A 9 12.255 -5.042 -29.747 1.00 0.00 C ATOM 0 H LEU A 9 10.578 -2.020 -29.498 1.00 0.00 H new ATOM 0 HA LEU A 9 10.596 -4.046 -27.340 1.00 0.00 H new ATOM 0 HB2 LEU A 9 12.695 -2.508 -28.834 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.005 -2.907 -27.157 1.00 0.00 H new ATOM 0 HG LEU A 9 14.013 -4.542 -28.649 1.00 0.00 H new ATOM 0 HD11 LEU A 9 13.059 -6.592 -27.671 1.00 0.00 H new ATOM 0 HD12 LEU A 9 13.240 -5.303 -26.457 1.00 0.00 H new ATOM 0 HD13 LEU A 9 11.636 -5.667 -27.135 1.00 0.00 H new ATOM 0 HD21 LEU A 9 12.617 -6.030 -30.032 1.00 0.00 H new ATOM 0 HD22 LEU A 9 11.177 -5.083 -29.588 1.00 0.00 H new ATOM 0 HD23 LEU A 9 12.478 -4.331 -30.542 1.00 0.00 H new ATOM 102 N SER A 10 10.088 -2.397 -25.583 1.00 0.00 N ATOM 103 CA SER A 10 9.804 -1.459 -24.503 1.00 0.00 C ATOM 104 C SER A 10 10.937 -0.450 -24.346 1.00 0.00 C ATOM 105 O SER A 10 10.699 0.745 -24.176 1.00 0.00 O ATOM 106 CB SER A 10 9.591 -2.213 -23.188 1.00 0.00 C ATOM 107 OG SER A 10 10.751 -2.941 -22.824 1.00 0.00 O ATOM 0 H SER A 10 9.762 -3.348 -25.413 1.00 0.00 H new ATOM 0 HA SER A 10 8.892 -0.918 -24.756 1.00 0.00 H new ATOM 0 HB2 SER A 10 9.338 -1.507 -22.397 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.747 -2.895 -23.289 1.00 0.00 H new ATOM 0 HG SER A 10 10.590 -3.412 -21.980 1.00 0.00 H new ATOM 113 N ALA A 11 12.171 -0.941 -24.406 1.00 0.00 N ATOM 114 CA ALA A 11 13.341 -0.083 -24.272 1.00 0.00 C ATOM 115 C ALA A 11 13.631 0.656 -25.574 1.00 0.00 C ATOM 116 O ALA A 11 14.208 0.093 -26.504 1.00 0.00 O ATOM 117 CB ALA A 11 14.551 -0.904 -23.849 1.00 0.00 C ATOM 0 H ALA A 11 12.386 -1.928 -24.547 1.00 0.00 H new ATOM 0 HA ALA A 11 13.131 0.659 -23.502 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.418 -0.251 -23.753 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.349 -1.383 -22.891 1.00 0.00 H new ATOM 0 HB3 ALA A 11 14.753 -1.667 -24.600 1.00 0.00 H new ATOM 123 N ARG A 12 13.226 1.921 -25.633 1.00 0.00 N ATOM 124 CA ARG A 12 13.441 2.737 -26.822 1.00 0.00 C ATOM 125 C ARG A 12 14.931 2.898 -27.109 1.00 0.00 C ATOM 126 O ARG A 12 15.758 2.860 -26.197 1.00 0.00 O ATOM 127 CB ARG A 12 12.793 4.112 -26.647 1.00 0.00 C ATOM 128 CG ARG A 12 12.796 4.952 -27.913 1.00 0.00 C ATOM 129 CD ARG A 12 11.542 4.716 -28.741 1.00 0.00 C ATOM 130 NE ARG A 12 10.352 5.269 -28.101 1.00 0.00 N ATOM 131 CZ ARG A 12 9.202 5.470 -28.736 1.00 0.00 C ATOM 132 NH1 ARG A 12 9.089 5.165 -30.021 1.00 0.00 N ATOM 133 NH2 ARG A 12 8.163 5.977 -28.084 1.00 0.00 N ATOM 0 H ARG A 12 12.748 2.402 -24.872 1.00 0.00 H new ATOM 0 HA ARG A 12 12.978 2.230 -27.669 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.764 3.979 -26.311 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.318 4.654 -25.860 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.867 6.008 -27.650 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.677 4.712 -28.508 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.667 5.167 -29.725 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.406 3.646 -28.896 1.00 0.00 H new ATOM 0 HE ARG A 12 10.406 5.514 -27.112 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.886 4.775 -30.525 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.205 5.320 -30.506 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.247 6.213 -27.095 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.281 6.131 -28.572 1.00 0.00 H new ATOM 147 N THR A 13 15.268 3.077 -28.383 1.00 0.00 N ATOM 148 CA THR A 13 16.657 3.241 -28.790 1.00 0.00 C ATOM 149 C THR A 13 17.372 4.261 -27.911 1.00 0.00 C ATOM 150 O THR A 13 16.876 5.367 -27.700 1.00 0.00 O ATOM 151 CB THR A 13 16.762 3.686 -30.261 1.00 0.00 C ATOM 152 OG1 THR A 13 18.124 3.612 -30.699 1.00 0.00 O ATOM 153 CG2 THR A 13 16.244 5.105 -30.436 1.00 0.00 C ATOM 0 H THR A 13 14.597 3.112 -29.150 1.00 0.00 H new ATOM 0 HA THR A 13 17.136 2.269 -28.676 1.00 0.00 H new ATOM 0 HB THR A 13 16.150 3.016 -30.865 1.00 0.00 H new ATOM 0 HG1 THR A 13 18.182 3.895 -31.636 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.328 5.397 -31.483 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.199 5.151 -30.130 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.833 5.786 -29.821 1.00 0.00 H new ATOM 161 N MET A 14 18.539 3.881 -27.401 1.00 0.00 N ATOM 162 CA MET A 14 19.322 4.765 -26.545 1.00 0.00 C ATOM 163 C MET A 14 20.434 5.445 -27.339 1.00 0.00 C ATOM 164 O MET A 14 21.232 6.201 -26.786 1.00 0.00 O ATOM 165 CB MET A 14 19.921 3.979 -25.377 1.00 0.00 C ATOM 166 CG MET A 14 20.421 4.862 -24.245 1.00 0.00 C ATOM 167 SD MET A 14 21.593 4.013 -23.169 1.00 0.00 S ATOM 168 CE MET A 14 20.479 3.072 -22.130 1.00 0.00 C ATOM 0 H MET A 14 18.963 2.968 -27.565 1.00 0.00 H new ATOM 0 HA MET A 14 18.657 5.534 -26.153 1.00 0.00 H new ATOM 0 HB2 MET A 14 19.169 3.293 -24.987 1.00 0.00 H new ATOM 0 HB3 MET A 14 20.747 3.370 -25.745 1.00 0.00 H new ATOM 0 HG2 MET A 14 20.895 5.750 -24.664 1.00 0.00 H new ATOM 0 HG3 MET A 14 19.572 5.203 -23.653 1.00 0.00 H new ATOM 0 HE1 MET A 14 20.976 2.829 -21.191 1.00 0.00 H new ATOM 0 HE2 MET A 14 19.586 3.662 -21.926 1.00 0.00 H new ATOM 0 HE3 MET A 14 20.197 2.151 -22.640 1.00 0.00 H new ATOM 178 N LYS A 15 20.480 5.170 -28.638 1.00 0.00 N ATOM 179 CA LYS A 15 21.492 5.756 -29.509 1.00 0.00 C ATOM 180 C LYS A 15 21.533 7.273 -29.352 1.00 0.00 C ATOM 181 O LYS A 15 22.577 7.897 -29.538 1.00 0.00 O ATOM 182 CB LYS A 15 21.213 5.390 -30.968 1.00 0.00 C ATOM 183 CG LYS A 15 21.698 4.002 -31.351 1.00 0.00 C ATOM 184 CD LYS A 15 21.169 3.583 -32.712 1.00 0.00 C ATOM 185 CE LYS A 15 21.476 2.122 -33.003 1.00 0.00 C ATOM 186 NZ LYS A 15 20.969 1.705 -34.340 1.00 0.00 N ATOM 0 H LYS A 15 19.828 4.545 -29.111 1.00 0.00 H new ATOM 0 HA LYS A 15 22.462 5.353 -29.220 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.140 5.454 -31.151 1.00 0.00 H new ATOM 0 HB3 LYS A 15 21.691 6.124 -31.616 1.00 0.00 H new ATOM 0 HG2 LYS A 15 22.788 3.987 -31.363 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.377 3.283 -30.598 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.092 3.744 -32.750 1.00 0.00 H new ATOM 0 HD3 LYS A 15 21.613 4.210 -33.485 1.00 0.00 H new ATOM 0 HE2 LYS A 15 22.553 1.961 -32.956 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.026 1.496 -32.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.198 0.703 -34.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.938 1.835 -34.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 21.417 2.285 -35.078 1.00 0.00 H new ATOM 200 N GLU A 16 20.389 7.858 -29.009 1.00 0.00 N ATOM 201 CA GLU A 16 20.296 9.302 -28.827 1.00 0.00 C ATOM 202 C GLU A 16 20.095 9.653 -27.356 1.00 0.00 C ATOM 203 O GLU A 16 20.811 10.486 -26.801 1.00 0.00 O ATOM 204 CB GLU A 16 19.145 9.870 -29.661 1.00 0.00 C ATOM 205 CG GLU A 16 18.032 8.869 -29.924 1.00 0.00 C ATOM 206 CD GLU A 16 16.874 9.474 -30.692 1.00 0.00 C ATOM 207 OE1 GLU A 16 17.091 9.922 -31.837 1.00 0.00 O ATOM 208 OE2 GLU A 16 15.749 9.499 -30.149 1.00 0.00 O ATOM 0 H GLU A 16 19.516 7.355 -28.852 1.00 0.00 H new ATOM 0 HA GLU A 16 21.233 9.746 -29.164 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.729 10.737 -29.148 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.538 10.223 -30.615 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.433 8.024 -30.484 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.668 8.478 -28.974 1.00 0.00 H new ATOM 215 N VAL A 17 19.113 9.012 -26.729 1.00 0.00 N ATOM 216 CA VAL A 17 18.817 9.255 -25.323 1.00 0.00 C ATOM 217 C VAL A 17 18.960 10.733 -24.978 1.00 0.00 C ATOM 218 O VAL A 17 19.205 11.092 -23.827 1.00 0.00 O ATOM 219 CB VAL A 17 19.741 8.433 -24.404 1.00 0.00 C ATOM 220 CG1 VAL A 17 21.131 9.051 -24.355 1.00 0.00 C ATOM 221 CG2 VAL A 17 19.146 8.326 -23.008 1.00 0.00 C ATOM 0 H VAL A 17 18.509 8.320 -27.173 1.00 0.00 H new ATOM 0 HA VAL A 17 17.785 8.945 -25.159 1.00 0.00 H new ATOM 0 HB VAL A 17 19.831 7.427 -24.813 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.770 8.458 -23.701 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.556 9.070 -25.358 1.00 0.00 H new ATOM 0 HG13 VAL A 17 21.063 10.069 -23.970 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.812 7.742 -22.372 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.025 9.324 -22.587 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.174 7.835 -23.063 1.00 0.00 H new ATOM 231 N VAL A 18 18.804 11.587 -25.985 1.00 0.00 N ATOM 232 CA VAL A 18 18.914 13.028 -25.789 1.00 0.00 C ATOM 233 C VAL A 18 17.590 13.725 -26.082 1.00 0.00 C ATOM 234 O VAL A 18 17.199 14.657 -25.379 1.00 0.00 O ATOM 235 CB VAL A 18 20.010 13.634 -26.685 1.00 0.00 C ATOM 236 CG1 VAL A 18 21.389 13.197 -26.214 1.00 0.00 C ATOM 237 CG2 VAL A 18 19.786 13.243 -28.138 1.00 0.00 C ATOM 0 H VAL A 18 18.601 11.306 -26.944 1.00 0.00 H new ATOM 0 HA VAL A 18 19.181 13.186 -24.744 1.00 0.00 H new ATOM 0 HB VAL A 18 19.955 14.720 -26.611 1.00 0.00 H new ATOM 0 HG11 VAL A 18 22.150 13.635 -26.860 1.00 0.00 H new ATOM 0 HG12 VAL A 18 21.546 13.532 -25.189 1.00 0.00 H new ATOM 0 HG13 VAL A 18 21.460 12.110 -26.256 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.570 13.680 -28.757 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.813 12.157 -28.231 1.00 0.00 H new ATOM 0 HG23 VAL A 18 18.815 13.611 -28.468 1.00 0.00 H new ATOM 247 N TYR A 19 16.904 13.266 -27.122 1.00 0.00 N ATOM 248 CA TYR A 19 15.625 13.847 -27.510 1.00 0.00 C ATOM 249 C TYR A 19 14.485 13.252 -26.689 1.00 0.00 C ATOM 250 O TYR A 19 13.312 13.517 -26.951 1.00 0.00 O ATOM 251 CB TYR A 19 15.367 13.618 -29.001 1.00 0.00 C ATOM 252 CG TYR A 19 16.541 13.984 -29.881 1.00 0.00 C ATOM 253 CD1 TYR A 19 16.728 15.290 -30.316 1.00 0.00 C ATOM 254 CD2 TYR A 19 17.463 13.023 -30.278 1.00 0.00 C ATOM 255 CE1 TYR A 19 17.799 15.629 -31.120 1.00 0.00 C ATOM 256 CE2 TYR A 19 18.537 13.353 -31.081 1.00 0.00 C ATOM 257 CZ TYR A 19 18.701 14.657 -31.500 1.00 0.00 C ATOM 258 OH TYR A 19 19.769 14.990 -32.301 1.00 0.00 O ATOM 0 H TYR A 19 17.212 12.493 -27.712 1.00 0.00 H new ATOM 0 HA TYR A 19 15.669 14.919 -27.316 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.117 12.569 -29.161 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.499 14.203 -29.305 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.024 16.054 -30.020 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.337 12.001 -29.953 1.00 0.00 H new ATOM 0 HE1 TYR A 19 17.929 16.649 -31.449 1.00 0.00 H new ATOM 0 HE2 TYR A 19 19.245 12.594 -31.379 1.00 0.00 H new ATOM 0 HH TYR A 19 20.309 14.191 -32.476 1.00 0.00 H new ATOM 268 N TRP A 20 14.839 12.447 -25.694 1.00 0.00 N ATOM 269 CA TRP A 20 13.847 11.814 -24.832 1.00 0.00 C ATOM 270 C TRP A 20 12.866 12.845 -24.284 1.00 0.00 C ATOM 271 O TRP A 20 13.083 14.050 -24.409 1.00 0.00 O ATOM 272 CB TRP A 20 14.535 11.082 -23.679 1.00 0.00 C ATOM 273 CG TRP A 20 15.048 9.726 -24.058 1.00 0.00 C ATOM 274 CD1 TRP A 20 15.033 9.162 -25.302 1.00 0.00 C ATOM 275 CD2 TRP A 20 15.648 8.762 -23.186 1.00 0.00 C ATOM 276 NE1 TRP A 20 15.588 7.906 -25.255 1.00 0.00 N ATOM 277 CE2 TRP A 20 15.974 7.638 -23.969 1.00 0.00 C ATOM 278 CE3 TRP A 20 15.945 8.741 -21.820 1.00 0.00 C ATOM 279 CZ2 TRP A 20 16.580 6.506 -23.430 1.00 0.00 C ATOM 280 CZ3 TRP A 20 16.545 7.617 -21.287 1.00 0.00 C ATOM 281 CH2 TRP A 20 16.858 6.512 -22.090 1.00 0.00 C ATOM 0 H TRP A 20 15.806 12.217 -25.464 1.00 0.00 H new ATOM 0 HA TRP A 20 13.290 11.092 -25.429 1.00 0.00 H new ATOM 0 HB2 TRP A 20 15.365 11.688 -23.317 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.832 10.979 -22.853 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.642 9.634 -26.191 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.695 7.275 -26.049 1.00 0.00 H new ATOM 0 HE3 TRP A 20 15.710 9.588 -21.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.822 5.654 -24.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.777 7.589 -20.233 1.00 0.00 H new ATOM 0 HH2 TRP A 20 17.328 5.648 -21.643 1.00 0.00 H new ATOM 292 N SER A 21 11.787 12.363 -23.675 1.00 0.00 N ATOM 293 CA SER A 21 10.771 13.243 -23.110 1.00 0.00 C ATOM 294 C SER A 21 10.969 13.405 -21.606 1.00 0.00 C ATOM 295 O SER A 21 11.723 12.669 -20.970 1.00 0.00 O ATOM 296 CB SER A 21 9.373 12.692 -23.396 1.00 0.00 C ATOM 297 OG SER A 21 8.788 13.337 -24.514 1.00 0.00 O ATOM 0 H SER A 21 11.594 11.368 -23.560 1.00 0.00 H new ATOM 0 HA SER A 21 10.871 14.222 -23.579 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.433 11.620 -23.581 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.739 12.829 -22.520 1.00 0.00 H new ATOM 0 HG SER A 21 7.896 12.965 -24.676 1.00 0.00 H new ATOM 303 N PRO A 22 10.275 14.394 -21.022 1.00 0.00 N ATOM 304 CA PRO A 22 10.356 14.677 -19.586 1.00 0.00 C ATOM 305 C PRO A 22 9.704 13.588 -18.742 1.00 0.00 C ATOM 306 O PRO A 22 9.908 13.521 -17.530 1.00 0.00 O ATOM 307 CB PRO A 22 9.593 15.996 -19.441 1.00 0.00 C ATOM 308 CG PRO A 22 8.650 16.017 -20.595 1.00 0.00 C ATOM 309 CD PRO A 22 9.356 15.310 -21.719 1.00 0.00 C ATOM 0 HA PRO A 22 11.388 14.725 -19.238 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.059 16.042 -18.492 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.270 16.850 -19.467 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.715 15.515 -20.344 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.398 17.040 -20.875 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.656 14.769 -22.356 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.894 16.010 -22.359 1.00 0.00 H new ATOM 317 N LYS A 23 8.918 12.735 -19.391 1.00 0.00 N ATOM 318 CA LYS A 23 8.236 11.646 -18.701 1.00 0.00 C ATOM 319 C LYS A 23 9.025 10.347 -18.821 1.00 0.00 C ATOM 320 O LYS A 23 8.845 9.423 -18.027 1.00 0.00 O ATOM 321 CB LYS A 23 6.828 11.456 -19.271 1.00 0.00 C ATOM 322 CG LYS A 23 5.841 12.519 -18.822 1.00 0.00 C ATOM 323 CD LYS A 23 5.669 12.518 -17.312 1.00 0.00 C ATOM 324 CE LYS A 23 4.433 13.299 -16.891 1.00 0.00 C ATOM 325 NZ LYS A 23 4.410 14.663 -17.488 1.00 0.00 N ATOM 0 H LYS A 23 8.738 12.777 -20.394 1.00 0.00 H new ATOM 0 HA LYS A 23 8.161 11.908 -17.646 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.882 11.460 -20.360 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.454 10.476 -18.974 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.187 13.500 -19.149 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.876 12.346 -19.299 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.591 11.491 -16.954 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.552 12.953 -16.844 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.539 12.755 -17.194 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.406 13.378 -15.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.684 15.237 -17.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.340 15.111 -17.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.190 14.594 -18.502 1.00 0.00 H new ATOM 339 N LYS A 24 9.900 10.282 -19.818 1.00 0.00 N ATOM 340 CA LYS A 24 10.719 9.096 -20.042 1.00 0.00 C ATOM 341 C LYS A 24 11.932 9.090 -19.117 1.00 0.00 C ATOM 342 O LYS A 24 12.160 8.129 -18.382 1.00 0.00 O ATOM 343 CB LYS A 24 11.177 9.036 -21.501 1.00 0.00 C ATOM 344 CG LYS A 24 12.373 8.127 -21.726 1.00 0.00 C ATOM 345 CD LYS A 24 12.123 6.731 -21.181 1.00 0.00 C ATOM 346 CE LYS A 24 12.866 5.676 -21.986 1.00 0.00 C ATOM 347 NZ LYS A 24 12.045 5.162 -23.117 1.00 0.00 N ATOM 0 H LYS A 24 10.061 11.037 -20.485 1.00 0.00 H new ATOM 0 HA LYS A 24 10.111 8.218 -19.822 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.348 8.692 -22.119 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.428 10.042 -21.836 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.591 8.069 -22.792 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.252 8.555 -21.244 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.439 6.684 -20.139 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.054 6.518 -21.200 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.792 6.100 -22.373 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.143 4.849 -21.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.586 4.445 -23.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.172 4.734 -22.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.802 5.947 -23.754 1.00 0.00 H new ATOM 361 N VAL A 25 12.707 10.169 -19.157 1.00 0.00 N ATOM 362 CA VAL A 25 13.895 10.289 -18.320 1.00 0.00 C ATOM 363 C VAL A 25 13.641 9.735 -16.923 1.00 0.00 C ATOM 364 O VAL A 25 14.525 9.135 -16.312 1.00 0.00 O ATOM 365 CB VAL A 25 14.355 11.754 -18.204 1.00 0.00 C ATOM 366 CG1 VAL A 25 15.339 11.915 -17.055 1.00 0.00 C ATOM 367 CG2 VAL A 25 14.969 12.224 -19.514 1.00 0.00 C ATOM 0 H VAL A 25 12.533 10.973 -19.760 1.00 0.00 H new ATOM 0 HA VAL A 25 14.681 9.707 -18.801 1.00 0.00 H new ATOM 0 HB VAL A 25 13.484 12.375 -17.994 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.653 12.957 -16.988 1.00 0.00 H new ATOM 0 HG12 VAL A 25 14.860 11.620 -16.122 1.00 0.00 H new ATOM 0 HG13 VAL A 25 16.210 11.284 -17.231 1.00 0.00 H new ATOM 0 HG21 VAL A 25 15.289 13.261 -19.415 1.00 0.00 H new ATOM 0 HG22 VAL A 25 15.830 11.601 -19.757 1.00 0.00 H new ATOM 0 HG23 VAL A 25 14.229 12.147 -20.311 1.00 0.00 H new ATOM 377 N ALA A 26 12.427 9.940 -16.422 1.00 0.00 N ATOM 378 CA ALA A 26 12.056 9.458 -15.098 1.00 0.00 C ATOM 379 C ALA A 26 11.998 7.935 -15.063 1.00 0.00 C ATOM 380 O ALA A 26 12.692 7.296 -14.273 1.00 0.00 O ATOM 381 CB ALA A 26 10.718 10.049 -14.678 1.00 0.00 C ATOM 0 H ALA A 26 11.684 10.437 -16.914 1.00 0.00 H new ATOM 0 HA ALA A 26 12.822 9.781 -14.393 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.453 9.681 -13.687 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.792 11.136 -14.653 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.950 9.754 -15.393 1.00 0.00 H new ATOM 387 N ASP A 27 11.166 7.360 -15.924 1.00 0.00 N ATOM 388 CA ASP A 27 11.017 5.910 -15.992 1.00 0.00 C ATOM 389 C ASP A 27 12.380 5.225 -16.005 1.00 0.00 C ATOM 390 O ASP A 27 12.556 4.161 -15.411 1.00 0.00 O ATOM 391 CB ASP A 27 10.222 5.516 -17.237 1.00 0.00 C ATOM 392 CG ASP A 27 8.726 5.509 -16.991 1.00 0.00 C ATOM 393 OD1 ASP A 27 8.234 6.429 -16.304 1.00 0.00 O ATOM 394 OD2 ASP A 27 8.048 4.585 -17.485 1.00 0.00 O ATOM 0 H ASP A 27 10.584 7.875 -16.585 1.00 0.00 H new ATOM 0 HA ASP A 27 10.474 5.582 -15.106 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.451 6.210 -18.045 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.537 4.526 -17.568 1.00 0.00 H new ATOM 399 N TRP A 28 13.339 5.840 -16.687 1.00 0.00 N ATOM 400 CA TRP A 28 14.686 5.288 -16.778 1.00 0.00 C ATOM 401 C TRP A 28 15.351 5.245 -15.406 1.00 0.00 C ATOM 402 O TRP A 28 16.169 4.367 -15.130 1.00 0.00 O ATOM 403 CB TRP A 28 15.535 6.117 -17.743 1.00 0.00 C ATOM 404 CG TRP A 28 16.965 5.674 -17.808 1.00 0.00 C ATOM 405 CD1 TRP A 28 17.459 4.591 -18.478 1.00 0.00 C ATOM 406 CD2 TRP A 28 18.086 6.302 -17.176 1.00 0.00 C ATOM 407 NE1 TRP A 28 18.819 4.508 -18.301 1.00 0.00 N ATOM 408 CE2 TRP A 28 19.228 5.547 -17.507 1.00 0.00 C ATOM 409 CE3 TRP A 28 18.237 7.430 -16.366 1.00 0.00 C ATOM 410 CZ2 TRP A 28 20.501 5.884 -17.054 1.00 0.00 C ATOM 411 CZ3 TRP A 28 19.501 7.764 -15.916 1.00 0.00 C ATOM 412 CH2 TRP A 28 20.619 6.993 -16.261 1.00 0.00 C ATOM 0 H TRP A 28 13.209 6.721 -17.185 1.00 0.00 H new ATOM 0 HA TRP A 28 14.609 4.269 -17.156 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.099 6.060 -18.740 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.500 7.163 -17.439 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.867 3.901 -19.061 1.00 0.00 H new ATOM 0 HE1 TRP A 28 19.426 3.790 -18.696 1.00 0.00 H new ATOM 0 HE3 TRP A 28 17.381 8.031 -16.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 21.364 5.291 -17.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 19.629 8.633 -15.288 1.00 0.00 H new ATOM 0 HH2 TRP A 28 21.593 7.280 -15.894 1.00 0.00 H new ATOM 423 N LEU A 29 14.994 6.196 -14.551 1.00 0.00 N ATOM 424 CA LEU A 29 15.556 6.266 -13.206 1.00 0.00 C ATOM 425 C LEU A 29 14.969 5.178 -12.313 1.00 0.00 C ATOM 426 O LEU A 29 15.699 4.472 -11.615 1.00 0.00 O ATOM 427 CB LEU A 29 15.291 7.642 -12.593 1.00 0.00 C ATOM 428 CG LEU A 29 15.963 8.827 -13.288 1.00 0.00 C ATOM 429 CD1 LEU A 29 15.325 10.136 -12.847 1.00 0.00 C ATOM 430 CD2 LEU A 29 17.457 8.837 -13.001 1.00 0.00 C ATOM 0 H LEU A 29 14.318 6.930 -14.764 1.00 0.00 H new ATOM 0 HA LEU A 29 16.632 6.108 -13.280 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.215 7.813 -12.586 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.618 7.623 -11.553 1.00 0.00 H new ATOM 0 HG LEU A 29 15.821 8.721 -14.363 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.816 10.968 -13.352 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.266 10.129 -13.104 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.436 10.250 -11.769 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.918 9.687 -13.504 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.621 8.918 -11.926 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.904 7.913 -13.367 1.00 0.00 H new ATOM 442 N LEU A 30 13.648 5.044 -12.342 1.00 0.00 N ATOM 443 CA LEU A 30 12.962 4.039 -11.537 1.00 0.00 C ATOM 444 C LEU A 30 13.276 2.633 -12.039 1.00 0.00 C ATOM 445 O LEU A 30 13.324 1.683 -11.259 1.00 0.00 O ATOM 446 CB LEU A 30 11.452 4.278 -11.566 1.00 0.00 C ATOM 447 CG LEU A 30 10.999 5.732 -11.429 1.00 0.00 C ATOM 448 CD1 LEU A 30 9.575 5.898 -11.938 1.00 0.00 C ATOM 449 CD2 LEU A 30 11.107 6.190 -9.982 1.00 0.00 C ATOM 0 H LEU A 30 13.030 5.619 -12.915 1.00 0.00 H new ATOM 0 HA LEU A 30 13.317 4.126 -10.510 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.060 3.883 -12.503 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.997 3.700 -10.762 1.00 0.00 H new ATOM 0 HG LEU A 30 11.655 6.356 -12.036 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.270 6.939 -11.832 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.528 5.611 -12.988 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.905 5.263 -11.358 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.781 7.227 -9.903 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.476 5.562 -9.354 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.142 6.110 -9.651 1.00 0.00 H new ATOM 461 N GLU A 31 13.492 2.510 -13.345 1.00 0.00 N ATOM 462 CA GLU A 31 13.804 1.220 -13.949 1.00 0.00 C ATOM 463 C GLU A 31 15.069 0.625 -13.338 1.00 0.00 C ATOM 464 O GLU A 31 15.315 -0.576 -13.441 1.00 0.00 O ATOM 465 CB GLU A 31 13.975 1.369 -15.462 1.00 0.00 C ATOM 466 CG GLU A 31 14.128 0.044 -16.190 1.00 0.00 C ATOM 467 CD GLU A 31 13.030 -0.943 -15.842 1.00 0.00 C ATOM 468 OE1 GLU A 31 11.863 -0.514 -15.728 1.00 0.00 O ATOM 469 OE2 GLU A 31 13.338 -2.142 -15.685 1.00 0.00 O ATOM 0 H GLU A 31 13.457 3.287 -14.004 1.00 0.00 H new ATOM 0 HA GLU A 31 12.973 0.543 -13.750 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.112 1.899 -15.866 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.851 1.987 -15.661 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.124 0.222 -17.265 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.096 -0.393 -15.943 1.00 0.00 H new ATOM 476 N ASN A 32 15.869 1.476 -12.703 1.00 0.00 N ATOM 477 CA ASN A 32 17.110 1.035 -12.076 1.00 0.00 C ATOM 478 C ASN A 32 17.125 1.387 -10.592 1.00 0.00 C ATOM 479 O ASN A 32 18.182 1.426 -9.964 1.00 0.00 O ATOM 480 CB ASN A 32 18.313 1.671 -12.775 1.00 0.00 C ATOM 481 CG ASN A 32 18.361 1.345 -14.256 1.00 0.00 C ATOM 482 OD1 ASN A 32 18.633 0.208 -14.643 1.00 0.00 O ATOM 483 ND2 ASN A 32 18.097 2.343 -15.091 1.00 0.00 N ATOM 0 H ASN A 32 15.680 2.474 -12.609 1.00 0.00 H new ATOM 0 HA ASN A 32 17.172 -0.049 -12.174 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.275 2.753 -12.645 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.231 1.325 -12.300 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.115 2.183 -16.098 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.876 3.269 -14.725 1.00 0.00 H new ATOM 490 N ALA A 33 15.944 1.642 -10.038 1.00 0.00 N ATOM 491 CA ALA A 33 15.821 1.989 -8.628 1.00 0.00 C ATOM 492 C ALA A 33 16.540 3.297 -8.319 1.00 0.00 C ATOM 493 O ALA A 33 17.360 3.364 -7.403 1.00 0.00 O ATOM 494 CB ALA A 33 16.367 0.866 -7.759 1.00 0.00 C ATOM 0 H ALA A 33 15.059 1.615 -10.544 1.00 0.00 H new ATOM 0 HA ALA A 33 14.763 2.126 -8.404 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.269 1.139 -6.708 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.805 -0.048 -7.951 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.419 0.702 -7.995 1.00 0.00 H new ATOM 500 N MET A 34 16.229 4.335 -9.089 1.00 0.00 N ATOM 501 CA MET A 34 16.847 5.641 -8.897 1.00 0.00 C ATOM 502 C MET A 34 15.787 6.731 -8.771 1.00 0.00 C ATOM 503 O MET A 34 15.865 7.783 -9.406 1.00 0.00 O ATOM 504 CB MET A 34 17.788 5.960 -10.060 1.00 0.00 C ATOM 505 CG MET A 34 18.719 4.814 -10.421 1.00 0.00 C ATOM 506 SD MET A 34 20.285 5.383 -11.109 1.00 0.00 S ATOM 507 CE MET A 34 19.832 5.630 -12.825 1.00 0.00 C ATOM 0 H MET A 34 15.553 4.296 -9.852 1.00 0.00 H new ATOM 0 HA MET A 34 17.423 5.610 -7.972 1.00 0.00 H new ATOM 0 HB2 MET A 34 17.194 6.224 -10.935 1.00 0.00 H new ATOM 0 HB3 MET A 34 18.385 6.835 -9.804 1.00 0.00 H new ATOM 0 HG2 MET A 34 18.914 4.215 -9.531 1.00 0.00 H new ATOM 0 HG3 MET A 34 18.225 4.163 -11.142 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.531 6.325 -13.290 1.00 0.00 H new ATOM 0 HE2 MET A 34 19.865 4.676 -13.351 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.823 6.040 -12.880 1.00 0.00 H new ATOM 517 N PRO A 35 14.772 6.476 -7.932 1.00 0.00 N ATOM 518 CA PRO A 35 13.677 7.423 -7.704 1.00 0.00 C ATOM 519 C PRO A 35 14.130 8.659 -6.935 1.00 0.00 C ATOM 520 O PRO A 35 13.410 9.655 -6.863 1.00 0.00 O ATOM 521 CB PRO A 35 12.675 6.615 -6.875 1.00 0.00 C ATOM 522 CG PRO A 35 13.499 5.579 -6.192 1.00 0.00 C ATOM 523 CD PRO A 35 14.615 5.243 -7.142 1.00 0.00 C ATOM 0 HA PRO A 35 13.267 7.805 -8.639 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.156 7.247 -6.154 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.912 6.161 -7.508 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.891 5.954 -5.247 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.903 4.696 -5.962 1.00 0.00 H new ATOM 0 HD2 PRO A 35 15.532 4.986 -6.611 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.363 4.391 -7.773 1.00 0.00 H new ATOM 531 N GLU A 36 15.327 8.588 -6.362 1.00 0.00 N ATOM 532 CA GLU A 36 15.875 9.702 -5.597 1.00 0.00 C ATOM 533 C GLU A 36 16.304 10.838 -6.521 1.00 0.00 C ATOM 534 O GLU A 36 16.320 12.003 -6.124 1.00 0.00 O ATOM 535 CB GLU A 36 17.065 9.236 -4.756 1.00 0.00 C ATOM 536 CG GLU A 36 17.957 8.232 -5.467 1.00 0.00 C ATOM 537 CD GLU A 36 17.523 6.798 -5.233 1.00 0.00 C ATOM 538 OE1 GLU A 36 16.630 6.578 -4.389 1.00 0.00 O ATOM 539 OE2 GLU A 36 18.079 5.896 -5.894 1.00 0.00 O ATOM 0 H GLU A 36 15.936 7.771 -6.413 1.00 0.00 H new ATOM 0 HA GLU A 36 15.094 10.073 -4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.662 10.104 -4.474 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.694 8.790 -3.833 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.950 8.440 -6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.984 8.357 -5.124 1.00 0.00 H new ATOM 546 N TYR A 37 16.652 10.489 -7.754 1.00 0.00 N ATOM 547 CA TYR A 37 17.085 11.478 -8.735 1.00 0.00 C ATOM 548 C TYR A 37 15.905 11.973 -9.567 1.00 0.00 C ATOM 549 O TYR A 37 16.023 12.944 -10.315 1.00 0.00 O ATOM 550 CB TYR A 37 18.156 10.884 -9.651 1.00 0.00 C ATOM 551 CG TYR A 37 19.472 10.622 -8.953 1.00 0.00 C ATOM 552 CD1 TYR A 37 20.259 11.671 -8.494 1.00 0.00 C ATOM 553 CD2 TYR A 37 19.927 9.324 -8.752 1.00 0.00 C ATOM 554 CE1 TYR A 37 21.461 11.435 -7.857 1.00 0.00 C ATOM 555 CE2 TYR A 37 21.128 9.080 -8.114 1.00 0.00 C ATOM 556 CZ TYR A 37 21.892 10.138 -7.669 1.00 0.00 C ATOM 557 OH TYR A 37 23.089 9.900 -7.033 1.00 0.00 O ATOM 0 H TYR A 37 16.643 9.529 -8.099 1.00 0.00 H new ATOM 0 HA TYR A 37 17.507 12.326 -8.196 1.00 0.00 H new ATOM 0 HB2 TYR A 37 17.785 9.949 -10.072 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.326 11.564 -10.486 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.925 12.688 -8.638 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.332 8.493 -9.100 1.00 0.00 H new ATOM 0 HE1 TYR A 37 22.061 12.262 -7.507 1.00 0.00 H new ATOM 0 HE2 TYR A 37 21.467 8.065 -7.965 1.00 0.00 H new ATOM 0 HH TYR A 37 23.245 8.934 -6.980 1.00 0.00 H new ATOM 567 N CYS A 38 14.770 11.298 -9.430 1.00 0.00 N ATOM 568 CA CYS A 38 13.567 11.667 -10.169 1.00 0.00 C ATOM 569 C CYS A 38 13.163 13.106 -9.866 1.00 0.00 C ATOM 570 O CYS A 38 12.804 13.863 -10.767 1.00 0.00 O ATOM 571 CB CYS A 38 12.419 10.718 -9.823 1.00 0.00 C ATOM 572 SG CYS A 38 11.096 10.681 -11.054 1.00 0.00 S ATOM 0 H CYS A 38 14.657 10.493 -8.815 1.00 0.00 H new ATOM 0 HA CYS A 38 13.786 11.587 -11.234 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.818 9.711 -9.704 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.998 11.010 -8.861 1.00 0.00 H new ATOM 0 HG CYS A 38 10.173 9.849 -10.674 1.00 0.00 H new ATOM 578 N GLU A 39 13.223 13.476 -8.590 1.00 0.00 N ATOM 579 CA GLU A 39 12.861 14.824 -8.168 1.00 0.00 C ATOM 580 C GLU A 39 13.621 15.870 -8.979 1.00 0.00 C ATOM 581 O GLU A 39 13.035 16.704 -9.669 1.00 0.00 O ATOM 582 CB GLU A 39 13.150 15.010 -6.677 1.00 0.00 C ATOM 583 CG GLU A 39 11.949 14.741 -5.787 1.00 0.00 C ATOM 584 CD GLU A 39 12.325 14.607 -4.324 1.00 0.00 C ATOM 585 OE1 GLU A 39 13.315 13.907 -4.027 1.00 0.00 O ATOM 586 OE2 GLU A 39 11.629 15.204 -3.476 1.00 0.00 O ATOM 0 H GLU A 39 13.519 12.861 -7.832 1.00 0.00 H new ATOM 0 HA GLU A 39 11.794 14.958 -8.343 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.963 14.344 -6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.497 16.029 -6.507 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.229 15.551 -5.900 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.455 13.827 -6.116 1.00 0.00 H new ATOM 593 N PRO A 40 14.959 15.826 -8.895 1.00 0.00 N ATOM 594 CA PRO A 40 15.829 16.762 -9.613 1.00 0.00 C ATOM 595 C PRO A 40 15.819 16.523 -11.119 1.00 0.00 C ATOM 596 O PRO A 40 16.174 17.406 -11.901 1.00 0.00 O ATOM 597 CB PRO A 40 17.216 16.472 -9.036 1.00 0.00 C ATOM 598 CG PRO A 40 17.141 15.063 -8.558 1.00 0.00 C ATOM 599 CD PRO A 40 15.726 14.859 -8.091 1.00 0.00 C ATOM 0 HA PRO A 40 15.507 17.796 -9.486 1.00 0.00 H new ATOM 0 HB2 PRO A 40 17.992 16.593 -9.792 1.00 0.00 H new ATOM 0 HB3 PRO A 40 17.456 17.154 -8.221 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.393 14.366 -9.357 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.849 14.888 -7.748 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.389 13.837 -8.263 1.00 0.00 H new ATOM 0 HD3 PRO A 40 15.623 15.053 -7.023 1.00 0.00 H new ATOM 607 N LEU A 41 15.409 15.324 -11.521 1.00 0.00 N ATOM 608 CA LEU A 41 15.353 14.969 -12.934 1.00 0.00 C ATOM 609 C LEU A 41 13.908 14.864 -13.412 1.00 0.00 C ATOM 610 O LEU A 41 13.626 14.236 -14.432 1.00 0.00 O ATOM 611 CB LEU A 41 16.080 13.645 -13.177 1.00 0.00 C ATOM 612 CG LEU A 41 17.534 13.582 -12.709 1.00 0.00 C ATOM 613 CD1 LEU A 41 18.062 12.159 -12.795 1.00 0.00 C ATOM 614 CD2 LEU A 41 18.400 14.525 -13.531 1.00 0.00 C ATOM 0 H LEU A 41 15.111 14.582 -10.888 1.00 0.00 H new ATOM 0 HA LEU A 41 15.848 15.757 -13.501 1.00 0.00 H new ATOM 0 HB2 LEU A 41 15.524 12.851 -12.678 1.00 0.00 H new ATOM 0 HB3 LEU A 41 16.053 13.430 -14.245 1.00 0.00 H new ATOM 0 HG LEU A 41 17.574 13.899 -11.667 1.00 0.00 H new ATOM 0 HD11 LEU A 41 19.098 12.134 -12.458 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.459 11.508 -12.162 1.00 0.00 H new ATOM 0 HD13 LEU A 41 18.008 11.813 -13.827 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.432 14.467 -13.184 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.354 14.239 -14.582 1.00 0.00 H new ATOM 0 HD23 LEU A 41 18.036 15.546 -13.417 1.00 0.00 H new ATOM 626 N GLU A 42 12.997 15.485 -12.669 1.00 0.00 N ATOM 627 CA GLU A 42 11.582 15.461 -13.019 1.00 0.00 C ATOM 628 C GLU A 42 11.352 16.071 -14.398 1.00 0.00 C ATOM 629 O GLU A 42 10.692 15.476 -15.251 1.00 0.00 O ATOM 630 CB GLU A 42 10.763 16.218 -11.971 1.00 0.00 C ATOM 631 CG GLU A 42 11.269 17.626 -11.703 1.00 0.00 C ATOM 632 CD GLU A 42 10.806 18.167 -10.365 1.00 0.00 C ATOM 633 OE1 GLU A 42 9.668 17.851 -9.958 1.00 0.00 O ATOM 634 OE2 GLU A 42 11.581 18.908 -9.725 1.00 0.00 O ATOM 0 H GLU A 42 13.214 16.010 -11.822 1.00 0.00 H new ATOM 0 HA GLU A 42 11.257 14.421 -13.043 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.726 16.271 -12.301 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.772 15.654 -11.038 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.359 17.629 -11.734 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.926 18.289 -12.497 1.00 0.00 H new ATOM 641 N HIS A 43 11.901 17.263 -14.611 1.00 0.00 N ATOM 642 CA HIS A 43 11.756 17.955 -15.887 1.00 0.00 C ATOM 643 C HIS A 43 13.042 17.866 -16.702 1.00 0.00 C ATOM 644 O HIS A 43 13.379 18.782 -17.453 1.00 0.00 O ATOM 645 CB HIS A 43 11.385 19.420 -15.657 1.00 0.00 C ATOM 646 CG HIS A 43 9.912 19.650 -15.515 1.00 0.00 C ATOM 647 ND1 HIS A 43 9.256 20.714 -16.097 1.00 0.00 N ATOM 648 CD2 HIS A 43 8.965 18.943 -14.855 1.00 0.00 C ATOM 649 CE1 HIS A 43 7.971 20.654 -15.799 1.00 0.00 C ATOM 650 NE2 HIS A 43 7.768 19.588 -15.046 1.00 0.00 N ATOM 0 H HIS A 43 12.450 17.770 -13.917 1.00 0.00 H new ATOM 0 HA HIS A 43 10.957 17.469 -16.447 1.00 0.00 H new ATOM 0 HB2 HIS A 43 11.888 19.777 -14.758 1.00 0.00 H new ATOM 0 HB3 HIS A 43 11.759 20.016 -16.490 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.122 18.040 -14.284 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.215 21.357 -16.117 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.868 19.292 -14.668 1.00 0.00 H new ATOM 658 N PHE A 44 13.759 16.757 -16.549 1.00 0.00 N ATOM 659 CA PHE A 44 15.009 16.549 -17.269 1.00 0.00 C ATOM 660 C PHE A 44 14.782 15.709 -18.523 1.00 0.00 C ATOM 661 O PHE A 44 14.000 14.758 -18.515 1.00 0.00 O ATOM 662 CB PHE A 44 16.036 15.866 -16.364 1.00 0.00 C ATOM 663 CG PHE A 44 16.910 16.830 -15.614 1.00 0.00 C ATOM 664 CD1 PHE A 44 16.364 17.706 -14.691 1.00 0.00 C ATOM 665 CD2 PHE A 44 18.278 16.860 -15.833 1.00 0.00 C ATOM 666 CE1 PHE A 44 17.165 18.595 -14.000 1.00 0.00 C ATOM 667 CE2 PHE A 44 19.085 17.747 -15.145 1.00 0.00 C ATOM 668 CZ PHE A 44 18.528 18.615 -14.226 1.00 0.00 C ATOM 0 H PHE A 44 13.495 15.989 -15.932 1.00 0.00 H new ATOM 0 HA PHE A 44 15.392 17.524 -17.570 1.00 0.00 H new ATOM 0 HB2 PHE A 44 15.513 15.231 -15.649 1.00 0.00 H new ATOM 0 HB3 PHE A 44 16.665 15.214 -16.970 1.00 0.00 H new ATOM 0 HD1 PHE A 44 15.300 17.694 -14.509 1.00 0.00 H new ATOM 0 HD2 PHE A 44 18.719 16.183 -16.549 1.00 0.00 H new ATOM 0 HE1 PHE A 44 16.726 19.274 -13.284 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.150 17.761 -15.326 1.00 0.00 H new ATOM 0 HZ PHE A 44 19.156 19.307 -13.686 1.00 0.00 H new ATOM 678 N THR A 45 15.472 16.069 -19.602 1.00 0.00 N ATOM 679 CA THR A 45 15.344 15.352 -20.864 1.00 0.00 C ATOM 680 C THR A 45 16.605 14.552 -21.172 1.00 0.00 C ATOM 681 O THR A 45 17.711 14.957 -20.818 1.00 0.00 O ATOM 682 CB THR A 45 15.063 16.316 -22.032 1.00 0.00 C ATOM 683 OG1 THR A 45 15.945 17.442 -21.960 1.00 0.00 O ATOM 684 CG2 THR A 45 13.619 16.793 -22.004 1.00 0.00 C ATOM 0 H THR A 45 16.125 16.853 -19.626 1.00 0.00 H new ATOM 0 HA THR A 45 14.501 14.669 -20.756 1.00 0.00 H new ATOM 0 HB THR A 45 15.234 15.781 -22.966 1.00 0.00 H new ATOM 0 HG1 THR A 45 15.761 18.050 -22.707 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.444 17.473 -22.838 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.951 15.936 -22.088 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.426 17.313 -21.066 1.00 0.00 H new ATOM 692 N GLY A 46 16.430 13.413 -21.836 1.00 0.00 N ATOM 693 CA GLY A 46 17.564 12.575 -22.181 1.00 0.00 C ATOM 694 C GLY A 46 18.818 13.380 -22.455 1.00 0.00 C ATOM 695 O GLY A 46 19.923 12.952 -22.120 1.00 0.00 O ATOM 0 H GLY A 46 15.524 13.056 -22.141 1.00 0.00 H new ATOM 0 HA2 GLY A 46 17.756 11.876 -21.367 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.318 11.981 -23.061 1.00 0.00 H new ATOM 699 N GLN A 47 18.649 14.547 -23.068 1.00 0.00 N ATOM 700 CA GLN A 47 19.778 15.411 -23.390 1.00 0.00 C ATOM 701 C GLN A 47 20.390 16.001 -22.124 1.00 0.00 C ATOM 702 O GLN A 47 21.594 15.889 -21.894 1.00 0.00 O ATOM 703 CB GLN A 47 19.335 16.535 -24.328 1.00 0.00 C ATOM 704 CG GLN A 47 20.458 17.488 -24.708 1.00 0.00 C ATOM 705 CD GLN A 47 21.293 16.974 -25.864 1.00 0.00 C ATOM 706 OE1 GLN A 47 21.003 17.255 -27.027 1.00 0.00 O ATOM 707 NE2 GLN A 47 22.338 16.217 -25.549 1.00 0.00 N ATOM 0 H GLN A 47 17.741 14.916 -23.352 1.00 0.00 H new ATOM 0 HA GLN A 47 20.535 14.807 -23.890 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.919 16.097 -25.235 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.535 17.101 -23.851 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.034 18.456 -24.974 1.00 0.00 H new ATOM 0 HG3 GLN A 47 21.102 17.649 -23.843 1.00 0.00 H new ATOM 0 HE21 GLN A 47 22.541 16.009 -24.571 1.00 0.00 H new ATOM 0 HE22 GLN A 47 22.937 15.843 -26.285 1.00 0.00 H new ATOM 716 N ASP A 48 19.553 16.630 -21.306 1.00 0.00 N ATOM 717 CA ASP A 48 20.011 17.237 -20.062 1.00 0.00 C ATOM 718 C ASP A 48 20.513 16.173 -19.091 1.00 0.00 C ATOM 719 O ASP A 48 21.456 16.405 -18.333 1.00 0.00 O ATOM 720 CB ASP A 48 18.882 18.042 -19.416 1.00 0.00 C ATOM 721 CG ASP A 48 18.680 19.391 -20.078 1.00 0.00 C ATOM 722 OD1 ASP A 48 19.527 20.285 -19.871 1.00 0.00 O ATOM 723 OD2 ASP A 48 17.676 19.553 -20.802 1.00 0.00 O ATOM 0 H ASP A 48 18.554 16.733 -21.482 1.00 0.00 H new ATOM 0 HA ASP A 48 20.837 17.908 -20.297 1.00 0.00 H new ATOM 0 HB2 ASP A 48 17.955 17.471 -19.471 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.103 18.189 -18.359 1.00 0.00 H new ATOM 728 N LEU A 49 19.877 15.007 -19.118 1.00 0.00 N ATOM 729 CA LEU A 49 20.259 13.907 -18.240 1.00 0.00 C ATOM 730 C LEU A 49 21.697 13.472 -18.506 1.00 0.00 C ATOM 731 O LEU A 49 22.517 13.412 -17.590 1.00 0.00 O ATOM 732 CB LEU A 49 19.311 12.722 -18.433 1.00 0.00 C ATOM 733 CG LEU A 49 19.691 11.433 -17.703 1.00 0.00 C ATOM 734 CD1 LEU A 49 18.444 10.688 -17.252 1.00 0.00 C ATOM 735 CD2 LEU A 49 20.550 10.548 -18.594 1.00 0.00 C ATOM 0 H LEU A 49 19.095 14.799 -19.738 1.00 0.00 H new ATOM 0 HA LEU A 49 20.190 14.256 -17.210 1.00 0.00 H new ATOM 0 HB2 LEU A 49 18.316 13.022 -18.105 1.00 0.00 H new ATOM 0 HB3 LEU A 49 19.244 12.506 -19.499 1.00 0.00 H new ATOM 0 HG LEU A 49 20.272 11.697 -16.819 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.734 9.773 -16.735 1.00 0.00 H new ATOM 0 HD12 LEU A 49 17.867 11.320 -16.577 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.836 10.436 -18.121 1.00 0.00 H new ATOM 0 HD21 LEU A 49 20.811 9.636 -18.058 1.00 0.00 H new ATOM 0 HD22 LEU A 49 19.995 10.292 -19.497 1.00 0.00 H new ATOM 0 HD23 LEU A 49 21.461 11.081 -18.867 1.00 0.00 H new ATOM 747 N ILE A 50 21.995 13.171 -19.766 1.00 0.00 N ATOM 748 CA ILE A 50 23.334 12.746 -20.153 1.00 0.00 C ATOM 749 C ILE A 50 24.349 13.864 -19.938 1.00 0.00 C ATOM 750 O ILE A 50 25.552 13.617 -19.861 1.00 0.00 O ATOM 751 CB ILE A 50 23.380 12.303 -21.627 1.00 0.00 C ATOM 752 CG1 ILE A 50 23.191 13.508 -22.551 1.00 0.00 C ATOM 753 CG2 ILE A 50 22.316 11.250 -21.897 1.00 0.00 C ATOM 754 CD1 ILE A 50 23.955 13.397 -23.852 1.00 0.00 C ATOM 0 H ILE A 50 21.327 13.214 -20.536 1.00 0.00 H new ATOM 0 HA ILE A 50 23.591 11.898 -19.519 1.00 0.00 H new ATOM 0 HB ILE A 50 24.357 11.864 -21.829 1.00 0.00 H new ATOM 0 HG12 ILE A 50 22.130 13.624 -22.771 1.00 0.00 H new ATOM 0 HG13 ILE A 50 23.509 14.410 -22.028 1.00 0.00 H new ATOM 0 HG21 ILE A 50 22.361 10.947 -22.943 1.00 0.00 H new ATOM 0 HG22 ILE A 50 22.492 10.383 -21.260 1.00 0.00 H new ATOM 0 HG23 ILE A 50 21.331 11.664 -21.682 1.00 0.00 H new ATOM 0 HD11 ILE A 50 23.774 14.286 -24.457 1.00 0.00 H new ATOM 0 HD12 ILE A 50 25.021 13.312 -23.642 1.00 0.00 H new ATOM 0 HD13 ILE A 50 23.621 12.514 -24.396 1.00 0.00 H new ATOM 766 N ASN A 51 23.855 15.094 -19.841 1.00 0.00 N ATOM 767 CA ASN A 51 24.719 16.250 -19.634 1.00 0.00 C ATOM 768 C ASN A 51 25.028 16.441 -18.153 1.00 0.00 C ATOM 769 O ASN A 51 25.490 17.504 -17.735 1.00 0.00 O ATOM 770 CB ASN A 51 24.060 17.512 -20.196 1.00 0.00 C ATOM 771 CG ASN A 51 24.118 17.569 -21.710 1.00 0.00 C ATOM 772 OD1 ASN A 51 25.090 17.127 -22.323 1.00 0.00 O ATOM 773 ND2 ASN A 51 23.073 18.115 -22.322 1.00 0.00 N ATOM 0 H ASN A 51 22.861 15.316 -19.902 1.00 0.00 H new ATOM 0 HA ASN A 51 25.656 16.071 -20.162 1.00 0.00 H new ATOM 0 HB2 ASN A 51 23.020 17.550 -19.873 1.00 0.00 H new ATOM 0 HB3 ASN A 51 24.554 18.391 -19.783 1.00 0.00 H new ATOM 0 HD21 ASN A 51 23.055 18.181 -23.340 1.00 0.00 H new ATOM 0 HD22 ASN A 51 22.289 18.469 -21.774 1.00 0.00 H new ATOM 780 N LEU A 52 24.770 15.405 -17.362 1.00 0.00 N ATOM 781 CA LEU A 52 25.022 15.457 -15.926 1.00 0.00 C ATOM 782 C LEU A 52 26.440 14.997 -15.604 1.00 0.00 C ATOM 783 O LEU A 52 26.913 13.990 -16.133 1.00 0.00 O ATOM 784 CB LEU A 52 24.009 14.587 -15.179 1.00 0.00 C ATOM 785 CG LEU A 52 22.591 15.149 -15.073 1.00 0.00 C ATOM 786 CD1 LEU A 52 21.731 14.262 -14.186 1.00 0.00 C ATOM 787 CD2 LEU A 52 22.621 16.573 -14.538 1.00 0.00 C ATOM 0 H LEU A 52 24.386 14.519 -17.691 1.00 0.00 H new ATOM 0 HA LEU A 52 24.914 16.492 -15.601 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.958 13.617 -15.674 1.00 0.00 H new ATOM 0 HB3 LEU A 52 24.385 14.411 -14.171 1.00 0.00 H new ATOM 0 HG LEU A 52 22.151 15.166 -16.070 1.00 0.00 H new ATOM 0 HD11 LEU A 52 20.725 14.677 -14.122 1.00 0.00 H new ATOM 0 HD12 LEU A 52 21.683 13.259 -14.611 1.00 0.00 H new ATOM 0 HD13 LEU A 52 22.167 14.213 -13.188 1.00 0.00 H new ATOM 0 HD21 LEU A 52 21.603 16.957 -14.469 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.080 16.581 -13.549 1.00 0.00 H new ATOM 0 HD23 LEU A 52 23.202 17.203 -15.212 1.00 0.00 H new ATOM 799 N THR A 53 27.114 15.739 -14.732 1.00 0.00 N ATOM 800 CA THR A 53 28.477 15.407 -14.337 1.00 0.00 C ATOM 801 C THR A 53 28.661 15.538 -12.830 1.00 0.00 C ATOM 802 O THR A 53 27.891 16.226 -12.160 1.00 0.00 O ATOM 803 CB THR A 53 29.503 16.309 -15.048 1.00 0.00 C ATOM 804 OG1 THR A 53 29.231 17.684 -14.759 1.00 0.00 O ATOM 805 CG2 THR A 53 29.469 16.086 -16.553 1.00 0.00 C ATOM 0 H THR A 53 26.738 16.575 -14.285 1.00 0.00 H new ATOM 0 HA THR A 53 28.648 14.372 -14.632 1.00 0.00 H new ATOM 0 HB THR A 53 30.496 16.051 -14.680 1.00 0.00 H new ATOM 0 HG1 THR A 53 29.889 18.250 -15.214 1.00 0.00 H new ATOM 0 HG21 THR A 53 30.202 16.734 -17.033 1.00 0.00 H new ATOM 0 HG22 THR A 53 29.706 15.045 -16.772 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.474 16.319 -16.933 1.00 0.00 H new ATOM 813 N GLN A 54 29.685 14.874 -12.303 1.00 0.00 N ATOM 814 CA GLN A 54 29.968 14.917 -10.874 1.00 0.00 C ATOM 815 C GLN A 54 29.866 16.343 -10.341 1.00 0.00 C ATOM 816 O GLN A 54 29.329 16.573 -9.258 1.00 0.00 O ATOM 817 CB GLN A 54 31.362 14.354 -10.592 1.00 0.00 C ATOM 818 CG GLN A 54 31.649 14.151 -9.113 1.00 0.00 C ATOM 819 CD GLN A 54 32.999 13.509 -8.862 1.00 0.00 C ATOM 820 OE1 GLN A 54 33.861 14.087 -8.200 1.00 0.00 O ATOM 821 NE2 GLN A 54 33.190 12.306 -9.392 1.00 0.00 N ATOM 0 H GLN A 54 30.332 14.300 -12.844 1.00 0.00 H new ATOM 0 HA GLN A 54 29.225 14.304 -10.364 1.00 0.00 H new ATOM 0 HB2 GLN A 54 31.471 13.401 -11.109 1.00 0.00 H new ATOM 0 HB3 GLN A 54 32.109 15.030 -11.009 1.00 0.00 H new ATOM 0 HG2 GLN A 54 31.609 15.114 -8.604 1.00 0.00 H new ATOM 0 HG3 GLN A 54 30.868 13.527 -8.678 1.00 0.00 H new ATOM 0 HE21 GLN A 54 32.448 11.864 -9.934 1.00 0.00 H new ATOM 0 HE22 GLN A 54 34.079 11.825 -9.257 1.00 0.00 H new ATOM 830 N GLU A 55 30.384 17.295 -11.110 1.00 0.00 N ATOM 831 CA GLU A 55 30.349 18.698 -10.715 1.00 0.00 C ATOM 832 C GLU A 55 28.912 19.176 -10.526 1.00 0.00 C ATOM 833 O GLU A 55 28.631 20.006 -9.661 1.00 0.00 O ATOM 834 CB GLU A 55 31.052 19.564 -11.762 1.00 0.00 C ATOM 835 CG GLU A 55 32.178 18.847 -12.488 1.00 0.00 C ATOM 836 CD GLU A 55 33.199 19.805 -13.072 1.00 0.00 C ATOM 837 OE1 GLU A 55 32.838 20.570 -13.991 1.00 0.00 O ATOM 838 OE2 GLU A 55 34.359 19.789 -12.609 1.00 0.00 O ATOM 0 H GLU A 55 30.833 17.121 -12.009 1.00 0.00 H new ATOM 0 HA GLU A 55 30.873 18.793 -9.764 1.00 0.00 H new ATOM 0 HB2 GLU A 55 30.318 19.903 -12.493 1.00 0.00 H new ATOM 0 HB3 GLU A 55 31.453 20.453 -11.276 1.00 0.00 H new ATOM 0 HG2 GLU A 55 32.677 18.168 -11.797 1.00 0.00 H new ATOM 0 HG3 GLU A 55 31.759 18.237 -13.288 1.00 0.00 H new ATOM 845 N ASP A 56 28.007 18.645 -11.341 1.00 0.00 N ATOM 846 CA ASP A 56 26.599 19.015 -11.264 1.00 0.00 C ATOM 847 C ASP A 56 25.991 18.569 -9.939 1.00 0.00 C ATOM 848 O ASP A 56 24.998 19.133 -9.477 1.00 0.00 O ATOM 849 CB ASP A 56 25.823 18.398 -12.429 1.00 0.00 C ATOM 850 CG ASP A 56 26.226 18.984 -13.768 1.00 0.00 C ATOM 851 OD1 ASP A 56 26.827 20.078 -13.781 1.00 0.00 O ATOM 852 OD2 ASP A 56 25.940 18.347 -14.804 1.00 0.00 O ATOM 0 H ASP A 56 28.224 17.957 -12.062 1.00 0.00 H new ATOM 0 HA ASP A 56 26.531 20.101 -11.327 1.00 0.00 H new ATOM 0 HB2 ASP A 56 25.989 17.321 -12.442 1.00 0.00 H new ATOM 0 HB3 ASP A 56 24.755 18.554 -12.274 1.00 0.00 H new ATOM 857 N PHE A 57 26.592 17.551 -9.331 1.00 0.00 N ATOM 858 CA PHE A 57 26.109 17.028 -8.058 1.00 0.00 C ATOM 859 C PHE A 57 26.435 17.987 -6.917 1.00 0.00 C ATOM 860 O PHE A 57 25.620 18.205 -6.021 1.00 0.00 O ATOM 861 CB PHE A 57 26.727 15.656 -7.779 1.00 0.00 C ATOM 862 CG PHE A 57 26.186 14.565 -8.658 1.00 0.00 C ATOM 863 CD1 PHE A 57 26.638 14.416 -9.959 1.00 0.00 C ATOM 864 CD2 PHE A 57 25.225 13.687 -8.182 1.00 0.00 C ATOM 865 CE1 PHE A 57 26.141 13.413 -10.769 1.00 0.00 C ATOM 866 CE2 PHE A 57 24.724 12.682 -8.988 1.00 0.00 C ATOM 867 CZ PHE A 57 25.183 12.545 -10.283 1.00 0.00 C ATOM 0 H PHE A 57 27.414 17.072 -9.699 1.00 0.00 H new ATOM 0 HA PHE A 57 25.026 16.925 -8.123 1.00 0.00 H new ATOM 0 HB2 PHE A 57 27.807 15.719 -7.914 1.00 0.00 H new ATOM 0 HB3 PHE A 57 26.551 15.392 -6.736 1.00 0.00 H new ATOM 0 HD1 PHE A 57 27.387 15.091 -10.345 1.00 0.00 H new ATOM 0 HD2 PHE A 57 24.863 13.789 -7.169 1.00 0.00 H new ATOM 0 HE1 PHE A 57 26.501 13.308 -11.782 1.00 0.00 H new ATOM 0 HE2 PHE A 57 23.975 12.005 -8.605 1.00 0.00 H new ATOM 0 HZ PHE A 57 24.794 11.760 -10.915 1.00 0.00 H new ATOM 877 N LYS A 58 27.635 18.558 -6.956 1.00 0.00 N ATOM 878 CA LYS A 58 28.071 19.494 -5.927 1.00 0.00 C ATOM 879 C LYS A 58 27.012 20.564 -5.682 1.00 0.00 C ATOM 880 O LYS A 58 26.845 21.041 -4.559 1.00 0.00 O ATOM 881 CB LYS A 58 29.391 20.152 -6.334 1.00 0.00 C ATOM 882 CG LYS A 58 30.441 19.163 -6.811 1.00 0.00 C ATOM 883 CD LYS A 58 31.834 19.771 -6.780 1.00 0.00 C ATOM 884 CE LYS A 58 32.909 18.697 -6.719 1.00 0.00 C ATOM 885 NZ LYS A 58 34.269 19.281 -6.554 1.00 0.00 N ATOM 0 H LYS A 58 28.323 18.388 -7.690 1.00 0.00 H new ATOM 0 HA LYS A 58 28.220 18.936 -5.002 1.00 0.00 H new ATOM 0 HB2 LYS A 58 29.198 20.875 -7.127 1.00 0.00 H new ATOM 0 HB3 LYS A 58 29.787 20.709 -5.485 1.00 0.00 H new ATOM 0 HG2 LYS A 58 30.417 18.273 -6.181 1.00 0.00 H new ATOM 0 HG3 LYS A 58 30.206 18.842 -7.826 1.00 0.00 H new ATOM 0 HD2 LYS A 58 31.983 20.387 -7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 58 31.926 20.429 -5.916 1.00 0.00 H new ATOM 0 HE2 LYS A 58 32.701 18.022 -5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 58 32.878 18.100 -7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 34.973 18.516 -6.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 34.479 19.906 -7.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 34.307 19.829 -5.671 1.00 0.00 H new ATOM 899 N LYS A 59 26.299 20.938 -6.739 1.00 0.00 N ATOM 900 CA LYS A 59 25.254 21.950 -6.638 1.00 0.00 C ATOM 901 C LYS A 59 23.894 21.366 -7.007 1.00 0.00 C ATOM 902 O LYS A 59 23.793 20.305 -7.623 1.00 0.00 O ATOM 903 CB LYS A 59 25.575 23.137 -7.550 1.00 0.00 C ATOM 904 CG LYS A 59 26.451 22.773 -8.736 1.00 0.00 C ATOM 905 CD LYS A 59 26.368 23.821 -9.833 1.00 0.00 C ATOM 906 CE LYS A 59 26.896 23.287 -11.156 1.00 0.00 C ATOM 907 NZ LYS A 59 26.926 24.341 -12.207 1.00 0.00 N ATOM 0 H LYS A 59 26.426 20.555 -7.676 1.00 0.00 H new ATOM 0 HA LYS A 59 25.214 22.294 -5.604 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.642 23.566 -7.916 1.00 0.00 H new ATOM 0 HB3 LYS A 59 26.073 23.910 -6.965 1.00 0.00 H new ATOM 0 HG2 LYS A 59 27.485 22.670 -8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 59 26.144 21.805 -9.132 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.333 24.140 -9.955 1.00 0.00 H new ATOM 0 HD3 LYS A 59 26.940 24.701 -9.541 1.00 0.00 H new ATOM 0 HE2 LYS A 59 27.900 22.889 -11.012 1.00 0.00 H new ATOM 0 HE3 LYS A 59 26.270 22.459 -11.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 27.292 23.937 -13.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 25.964 24.703 -12.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 27.544 25.120 -11.900 1.00 0.00 H new ATOM 921 N PRO A 60 22.821 22.074 -6.622 1.00 0.00 N ATOM 922 CA PRO A 60 21.448 21.646 -6.904 1.00 0.00 C ATOM 923 C PRO A 60 21.103 21.743 -8.386 1.00 0.00 C ATOM 924 O PRO A 60 21.824 22.349 -9.178 1.00 0.00 O ATOM 925 CB PRO A 60 20.597 22.626 -6.092 1.00 0.00 C ATOM 926 CG PRO A 60 21.448 23.841 -5.953 1.00 0.00 C ATOM 927 CD PRO A 60 22.867 23.347 -5.884 1.00 0.00 C ATOM 0 HA PRO A 60 21.286 20.600 -6.642 1.00 0.00 H new ATOM 0 HB2 PRO A 60 19.661 22.854 -6.602 1.00 0.00 H new ATOM 0 HB3 PRO A 60 20.337 22.211 -5.118 1.00 0.00 H new ATOM 0 HG2 PRO A 60 21.310 24.513 -6.800 1.00 0.00 H new ATOM 0 HG3 PRO A 60 21.186 24.401 -5.055 1.00 0.00 H new ATOM 0 HD2 PRO A 60 23.561 24.052 -6.342 1.00 0.00 H new ATOM 0 HD3 PRO A 60 23.193 23.203 -4.854 1.00 0.00 H new ATOM 935 N PRO A 61 19.973 21.132 -8.772 1.00 0.00 N ATOM 936 CA PRO A 61 19.107 20.405 -7.839 1.00 0.00 C ATOM 937 C PRO A 61 19.748 19.116 -7.336 1.00 0.00 C ATOM 938 O PRO A 61 19.502 18.688 -6.208 1.00 0.00 O ATOM 939 CB PRO A 61 17.865 20.093 -8.678 1.00 0.00 C ATOM 940 CG PRO A 61 18.351 20.083 -10.086 1.00 0.00 C ATOM 941 CD PRO A 61 19.454 21.102 -10.150 1.00 0.00 C ATOM 0 HA PRO A 61 18.897 20.986 -6.941 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.432 19.131 -8.402 1.00 0.00 H new ATOM 0 HB3 PRO A 61 17.090 20.845 -8.532 1.00 0.00 H new ATOM 0 HG2 PRO A 61 18.716 19.095 -10.366 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.547 20.334 -10.778 1.00 0.00 H new ATOM 0 HD2 PRO A 61 20.226 20.814 -10.864 1.00 0.00 H new ATOM 0 HD3 PRO A 61 19.081 22.078 -10.460 1.00 0.00 H new ATOM 949 N LEU A 62 20.571 18.503 -8.180 1.00 0.00 N ATOM 950 CA LEU A 62 21.249 17.262 -7.820 1.00 0.00 C ATOM 951 C LEU A 62 22.307 17.511 -6.750 1.00 0.00 C ATOM 952 O LEU A 62 23.408 17.976 -7.047 1.00 0.00 O ATOM 953 CB LEU A 62 21.895 16.634 -9.057 1.00 0.00 C ATOM 954 CG LEU A 62 20.977 16.426 -10.261 1.00 0.00 C ATOM 955 CD1 LEU A 62 21.765 16.527 -11.558 1.00 0.00 C ATOM 956 CD2 LEU A 62 20.272 15.080 -10.168 1.00 0.00 C ATOM 0 H LEU A 62 20.785 18.844 -9.117 1.00 0.00 H new ATOM 0 HA LEU A 62 20.506 16.574 -7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 62 22.729 17.264 -9.366 1.00 0.00 H new ATOM 0 HB3 LEU A 62 22.313 15.668 -8.773 1.00 0.00 H new ATOM 0 HG LEU A 62 20.221 17.212 -10.257 1.00 0.00 H new ATOM 0 HD11 LEU A 62 21.094 16.376 -12.404 1.00 0.00 H new ATOM 0 HD12 LEU A 62 22.223 17.513 -11.630 1.00 0.00 H new ATOM 0 HD13 LEU A 62 22.543 15.764 -11.571 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.623 14.949 -11.034 1.00 0.00 H new ATOM 0 HD22 LEU A 62 21.014 14.282 -10.147 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.674 15.045 -9.257 1.00 0.00 H new ATOM 968 N TYR A 63 21.968 17.196 -5.505 1.00 0.00 N ATOM 969 CA TYR A 63 22.889 17.384 -4.391 1.00 0.00 C ATOM 970 C TYR A 63 22.591 16.398 -3.265 1.00 0.00 C ATOM 971 O TYR A 63 21.434 16.174 -2.911 1.00 0.00 O ATOM 972 CB TYR A 63 22.798 18.818 -3.865 1.00 0.00 C ATOM 973 CG TYR A 63 23.781 19.119 -2.756 1.00 0.00 C ATOM 974 CD1 TYR A 63 25.125 19.340 -3.033 1.00 0.00 C ATOM 975 CD2 TYR A 63 23.367 19.181 -1.431 1.00 0.00 C ATOM 976 CE1 TYR A 63 26.027 19.615 -2.023 1.00 0.00 C ATOM 977 CE2 TYR A 63 24.262 19.456 -0.415 1.00 0.00 C ATOM 978 CZ TYR A 63 25.590 19.672 -0.716 1.00 0.00 C ATOM 979 OH TYR A 63 26.485 19.945 0.293 1.00 0.00 O ATOM 0 H TYR A 63 21.062 16.809 -5.242 1.00 0.00 H new ATOM 0 HA TYR A 63 23.900 17.199 -4.753 1.00 0.00 H new ATOM 0 HB2 TYR A 63 22.970 19.510 -4.689 1.00 0.00 H new ATOM 0 HB3 TYR A 63 21.786 19.000 -3.502 1.00 0.00 H new ATOM 0 HD1 TYR A 63 25.470 19.296 -4.055 1.00 0.00 H new ATOM 0 HD2 TYR A 63 22.328 19.011 -1.191 1.00 0.00 H new ATOM 0 HE1 TYR A 63 27.068 19.784 -2.256 1.00 0.00 H new ATOM 0 HE2 TYR A 63 23.923 19.502 0.609 1.00 0.00 H new ATOM 0 HH TYR A 63 26.016 19.950 1.154 1.00 0.00 H new ATOM 989 N ARG A 64 23.646 15.812 -2.708 1.00 0.00 N ATOM 990 CA ARG A 64 23.499 14.848 -1.624 1.00 0.00 C ATOM 991 C ARG A 64 22.283 13.954 -1.852 1.00 0.00 C ATOM 992 O ARG A 64 21.586 13.584 -0.907 1.00 0.00 O ATOM 993 CB ARG A 64 23.369 15.572 -0.283 1.00 0.00 C ATOM 994 CG ARG A 64 24.528 16.508 0.018 1.00 0.00 C ATOM 995 CD ARG A 64 25.811 15.738 0.289 1.00 0.00 C ATOM 996 NE ARG A 64 25.933 15.355 1.694 1.00 0.00 N ATOM 997 CZ ARG A 64 26.850 14.508 2.147 1.00 0.00 C ATOM 998 NH1 ARG A 64 27.721 13.960 1.312 1.00 0.00 N ATOM 999 NH2 ARG A 64 26.898 14.210 3.439 1.00 0.00 N ATOM 0 H ARG A 64 24.611 15.988 -2.989 1.00 0.00 H new ATOM 0 HA ARG A 64 24.391 14.221 -1.606 1.00 0.00 H new ATOM 0 HB2 ARG A 64 22.441 16.143 -0.276 1.00 0.00 H new ATOM 0 HB3 ARG A 64 23.294 14.832 0.514 1.00 0.00 H new ATOM 0 HG2 ARG A 64 24.679 17.184 -0.824 1.00 0.00 H new ATOM 0 HG3 ARG A 64 24.283 17.125 0.883 1.00 0.00 H new ATOM 0 HD2 ARG A 64 25.836 14.844 -0.334 1.00 0.00 H new ATOM 0 HD3 ARG A 64 26.668 16.349 0.004 1.00 0.00 H new ATOM 0 HE ARG A 64 25.278 15.760 2.363 1.00 0.00 H new ATOM 0 HH11 ARG A 64 27.688 14.188 0.318 1.00 0.00 H new ATOM 0 HH12 ARG A 64 28.424 13.310 1.663 1.00 0.00 H new ATOM 0 HH21 ARG A 64 26.230 14.632 4.085 1.00 0.00 H new ATOM 0 HH22 ARG A 64 27.603 13.559 3.786 1.00 0.00 H new ATOM 1013 N VAL A 65 22.034 13.612 -3.112 1.00 0.00 N ATOM 1014 CA VAL A 65 20.904 12.761 -3.464 1.00 0.00 C ATOM 1015 C VAL A 65 21.056 11.369 -2.861 1.00 0.00 C ATOM 1016 O VAL A 65 20.084 10.773 -2.397 1.00 0.00 O ATOM 1017 CB VAL A 65 20.752 12.633 -4.991 1.00 0.00 C ATOM 1018 CG1 VAL A 65 19.556 11.760 -5.338 1.00 0.00 C ATOM 1019 CG2 VAL A 65 20.622 14.007 -5.630 1.00 0.00 C ATOM 0 H VAL A 65 22.600 13.911 -3.906 1.00 0.00 H new ATOM 0 HA VAL A 65 20.011 13.235 -3.056 1.00 0.00 H new ATOM 0 HB VAL A 65 21.647 12.155 -5.389 1.00 0.00 H new ATOM 0 HG11 VAL A 65 19.465 11.681 -6.421 1.00 0.00 H new ATOM 0 HG12 VAL A 65 19.695 10.766 -4.913 1.00 0.00 H new ATOM 0 HG13 VAL A 65 18.649 12.206 -4.929 1.00 0.00 H new ATOM 0 HG21 VAL A 65 20.515 13.898 -6.709 1.00 0.00 H new ATOM 0 HG22 VAL A 65 19.744 14.514 -5.228 1.00 0.00 H new ATOM 0 HG23 VAL A 65 21.513 14.596 -5.411 1.00 0.00 H new ATOM 1029 N SER A 66 22.282 10.856 -2.870 1.00 0.00 N ATOM 1030 CA SER A 66 22.561 9.532 -2.327 1.00 0.00 C ATOM 1031 C SER A 66 23.890 9.521 -1.578 1.00 0.00 C ATOM 1032 O SER A 66 24.669 10.470 -1.660 1.00 0.00 O ATOM 1033 CB SER A 66 22.587 8.492 -3.449 1.00 0.00 C ATOM 1034 OG SER A 66 23.058 7.242 -2.976 1.00 0.00 O ATOM 0 H SER A 66 23.098 11.337 -3.248 1.00 0.00 H new ATOM 0 HA SER A 66 21.766 9.280 -1.625 1.00 0.00 H new ATOM 0 HB2 SER A 66 21.585 8.374 -3.863 1.00 0.00 H new ATOM 0 HB3 SER A 66 23.227 8.842 -4.259 1.00 0.00 H new ATOM 0 HG SER A 66 22.915 6.557 -3.663 1.00 0.00 H new ATOM 1040 N SER A 67 24.141 8.439 -0.847 1.00 0.00 N ATOM 1041 CA SER A 67 25.374 8.304 -0.080 1.00 0.00 C ATOM 1042 C SER A 67 26.480 7.690 -0.933 1.00 0.00 C ATOM 1043 O SER A 67 27.356 6.992 -0.424 1.00 0.00 O ATOM 1044 CB SER A 67 25.135 7.444 1.162 1.00 0.00 C ATOM 1045 OG SER A 67 24.553 8.205 2.206 1.00 0.00 O ATOM 0 H SER A 67 23.507 7.644 -0.770 1.00 0.00 H new ATOM 0 HA SER A 67 25.690 9.300 0.232 1.00 0.00 H new ATOM 0 HB2 SER A 67 24.482 6.609 0.909 1.00 0.00 H new ATOM 0 HB3 SER A 67 26.080 7.019 1.501 1.00 0.00 H new ATOM 0 HG SER A 67 24.409 7.632 2.988 1.00 0.00 H new ATOM 1051 N ASP A 68 26.432 7.957 -2.234 1.00 0.00 N ATOM 1052 CA ASP A 68 27.430 7.432 -3.159 1.00 0.00 C ATOM 1053 C ASP A 68 28.099 8.563 -3.934 1.00 0.00 C ATOM 1054 O ASP A 68 28.566 8.369 -5.055 1.00 0.00 O ATOM 1055 CB ASP A 68 26.785 6.443 -4.131 1.00 0.00 C ATOM 1056 CG ASP A 68 25.489 6.969 -4.718 1.00 0.00 C ATOM 1057 OD1 ASP A 68 25.346 8.205 -4.828 1.00 0.00 O ATOM 1058 OD2 ASP A 68 24.619 6.144 -5.067 1.00 0.00 O ATOM 0 H ASP A 68 25.713 8.533 -2.671 1.00 0.00 H new ATOM 0 HA ASP A 68 28.192 6.913 -2.578 1.00 0.00 H new ATOM 0 HB2 ASP A 68 27.484 6.224 -4.939 1.00 0.00 H new ATOM 0 HB3 ASP A 68 26.591 5.504 -3.613 1.00 0.00 H new ATOM 1063 N ASN A 69 28.141 9.745 -3.327 1.00 0.00 N ATOM 1064 CA ASN A 69 28.751 10.908 -3.962 1.00 0.00 C ATOM 1065 C ASN A 69 28.275 11.053 -5.404 1.00 0.00 C ATOM 1066 O ASN A 69 29.057 11.378 -6.297 1.00 0.00 O ATOM 1067 CB ASN A 69 30.277 10.793 -3.925 1.00 0.00 C ATOM 1068 CG ASN A 69 30.826 10.827 -2.512 1.00 0.00 C ATOM 1069 OD1 ASN A 69 31.218 9.798 -1.962 1.00 0.00 O ATOM 1070 ND2 ASN A 69 30.855 12.014 -1.917 1.00 0.00 N ATOM 0 H ASN A 69 27.760 9.923 -2.397 1.00 0.00 H new ATOM 0 HA ASN A 69 28.447 11.796 -3.407 1.00 0.00 H new ATOM 0 HB2 ASN A 69 30.580 9.864 -4.407 1.00 0.00 H new ATOM 0 HB3 ASN A 69 30.714 11.609 -4.501 1.00 0.00 H new ATOM 0 HD21 ASN A 69 31.213 12.099 -0.966 1.00 0.00 H new ATOM 0 HD22 ASN A 69 30.520 12.841 -2.411 1.00 0.00 H new ATOM 1077 N GLY A 70 26.986 10.811 -5.623 1.00 0.00 N ATOM 1078 CA GLY A 70 26.428 10.920 -6.958 1.00 0.00 C ATOM 1079 C GLY A 70 27.132 10.023 -7.957 1.00 0.00 C ATOM 1080 O GLY A 70 27.347 10.411 -9.105 1.00 0.00 O ATOM 0 H GLY A 70 26.319 10.542 -4.900 1.00 0.00 H new ATOM 0 HA2 GLY A 70 25.369 10.664 -6.928 1.00 0.00 H new ATOM 0 HA3 GLY A 70 26.496 11.955 -7.293 1.00 0.00 H new ATOM 1084 N GLN A 71 27.493 8.821 -7.518 1.00 0.00 N ATOM 1085 CA GLN A 71 28.180 7.868 -8.382 1.00 0.00 C ATOM 1086 C GLN A 71 27.180 6.973 -9.108 1.00 0.00 C ATOM 1087 O GLN A 71 27.179 6.897 -10.336 1.00 0.00 O ATOM 1088 CB GLN A 71 29.148 7.013 -7.564 1.00 0.00 C ATOM 1089 CG GLN A 71 29.825 5.917 -8.373 1.00 0.00 C ATOM 1090 CD GLN A 71 31.067 6.405 -9.092 1.00 0.00 C ATOM 1091 OE1 GLN A 71 32.172 6.355 -8.550 1.00 0.00 O ATOM 1092 NE2 GLN A 71 30.893 6.881 -10.319 1.00 0.00 N ATOM 0 H GLN A 71 27.321 8.485 -6.571 1.00 0.00 H new ATOM 0 HA GLN A 71 28.744 8.430 -9.126 1.00 0.00 H new ATOM 0 HB2 GLN A 71 29.912 7.658 -7.131 1.00 0.00 H new ATOM 0 HB3 GLN A 71 28.606 6.559 -6.734 1.00 0.00 H new ATOM 0 HG2 GLN A 71 30.093 5.094 -7.710 1.00 0.00 H new ATOM 0 HG3 GLN A 71 29.119 5.521 -9.103 1.00 0.00 H new ATOM 0 HE21 GLN A 71 29.960 6.904 -10.730 1.00 0.00 H new ATOM 0 HE22 GLN A 71 31.693 7.224 -10.851 1.00 0.00 H new ATOM 1101 N ARG A 72 26.332 6.297 -8.340 1.00 0.00 N ATOM 1102 CA ARG A 72 25.330 5.405 -8.909 1.00 0.00 C ATOM 1103 C ARG A 72 24.755 5.986 -10.198 1.00 0.00 C ATOM 1104 O ARG A 72 24.743 5.325 -11.238 1.00 0.00 O ATOM 1105 CB ARG A 72 24.205 5.158 -7.903 1.00 0.00 C ATOM 1106 CG ARG A 72 23.096 4.266 -8.436 1.00 0.00 C ATOM 1107 CD ARG A 72 22.277 3.660 -7.306 1.00 0.00 C ATOM 1108 NE ARG A 72 23.017 2.627 -6.587 1.00 0.00 N ATOM 1109 CZ ARG A 72 22.734 2.249 -5.346 1.00 0.00 C ATOM 1110 NH1 ARG A 72 21.731 2.817 -4.689 1.00 0.00 N ATOM 1111 NH2 ARG A 72 23.454 1.302 -4.758 1.00 0.00 N ATOM 0 H ARG A 72 26.319 6.350 -7.321 1.00 0.00 H new ATOM 0 HA ARG A 72 25.815 4.457 -9.141 1.00 0.00 H new ATOM 0 HB2 ARG A 72 24.625 4.704 -7.005 1.00 0.00 H new ATOM 0 HB3 ARG A 72 23.778 6.116 -7.606 1.00 0.00 H new ATOM 0 HG2 ARG A 72 22.444 4.845 -9.089 1.00 0.00 H new ATOM 0 HG3 ARG A 72 23.528 3.469 -9.042 1.00 0.00 H new ATOM 0 HD2 ARG A 72 21.982 4.446 -6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.360 3.233 -7.712 1.00 0.00 H new ATOM 0 HE ARG A 72 23.794 2.171 -7.064 1.00 0.00 H new ATOM 0 HH11 ARG A 72 21.175 3.546 -5.137 1.00 0.00 H new ATOM 0 HH12 ARG A 72 21.515 2.525 -3.736 1.00 0.00 H new ATOM 0 HH21 ARG A 72 24.226 0.863 -5.259 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.235 1.013 -3.805 1.00 0.00 H new ATOM 1125 N LEU A 73 24.280 7.224 -10.123 1.00 0.00 N ATOM 1126 CA LEU A 73 23.701 7.894 -11.283 1.00 0.00 C ATOM 1127 C LEU A 73 24.752 8.107 -12.368 1.00 0.00 C ATOM 1128 O LEU A 73 24.593 7.648 -13.500 1.00 0.00 O ATOM 1129 CB LEU A 73 23.096 9.237 -10.872 1.00 0.00 C ATOM 1130 CG LEU A 73 22.307 9.976 -11.953 1.00 0.00 C ATOM 1131 CD1 LEU A 73 21.089 9.167 -12.373 1.00 0.00 C ATOM 1132 CD2 LEU A 73 21.890 11.354 -11.460 1.00 0.00 C ATOM 0 H LEU A 73 24.284 7.785 -9.271 1.00 0.00 H new ATOM 0 HA LEU A 73 22.914 7.256 -11.685 1.00 0.00 H new ATOM 0 HB2 LEU A 73 22.438 9.071 -10.019 1.00 0.00 H new ATOM 0 HB3 LEU A 73 23.902 9.887 -10.530 1.00 0.00 H new ATOM 0 HG LEU A 73 22.951 10.102 -12.823 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.540 9.709 -13.143 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.411 8.203 -12.767 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.442 9.008 -11.510 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.329 11.866 -12.242 1.00 0.00 H new ATOM 0 HD22 LEU A 73 21.264 11.249 -10.574 1.00 0.00 H new ATOM 0 HD23 LEU A 73 22.778 11.935 -11.210 1.00 0.00 H new ATOM 1144 N LEU A 74 25.826 8.805 -12.015 1.00 0.00 N ATOM 1145 CA LEU A 74 26.904 9.079 -12.958 1.00 0.00 C ATOM 1146 C LEU A 74 27.247 7.834 -13.771 1.00 0.00 C ATOM 1147 O LEU A 74 27.449 7.908 -14.983 1.00 0.00 O ATOM 1148 CB LEU A 74 28.146 9.574 -12.214 1.00 0.00 C ATOM 1149 CG LEU A 74 28.171 11.062 -11.865 1.00 0.00 C ATOM 1150 CD1 LEU A 74 29.442 11.412 -11.108 1.00 0.00 C ATOM 1151 CD2 LEU A 74 28.049 11.907 -13.125 1.00 0.00 C ATOM 0 H LEU A 74 25.973 9.191 -11.083 1.00 0.00 H new ATOM 0 HA LEU A 74 26.565 9.856 -13.643 1.00 0.00 H new ATOM 0 HB2 LEU A 74 28.243 9.003 -11.291 1.00 0.00 H new ATOM 0 HB3 LEU A 74 29.023 9.349 -12.822 1.00 0.00 H new ATOM 0 HG LEU A 74 27.318 11.279 -11.221 1.00 0.00 H new ATOM 0 HD11 LEU A 74 29.442 12.475 -10.868 1.00 0.00 H new ATOM 0 HD12 LEU A 74 29.488 10.832 -10.186 1.00 0.00 H new ATOM 0 HD13 LEU A 74 30.309 11.180 -11.726 1.00 0.00 H new ATOM 0 HD21 LEU A 74 28.069 12.964 -12.858 1.00 0.00 H new ATOM 0 HD22 LEU A 74 28.881 11.686 -13.793 1.00 0.00 H new ATOM 0 HD23 LEU A 74 27.110 11.677 -13.628 1.00 0.00 H new ATOM 1163 N ASP A 75 27.307 6.692 -13.095 1.00 0.00 N ATOM 1164 CA ASP A 75 27.621 5.430 -13.755 1.00 0.00 C ATOM 1165 C ASP A 75 26.502 5.023 -14.709 1.00 0.00 C ATOM 1166 O ASP A 75 26.758 4.596 -15.835 1.00 0.00 O ATOM 1167 CB ASP A 75 27.847 4.330 -12.716 1.00 0.00 C ATOM 1168 CG ASP A 75 28.832 3.279 -13.192 1.00 0.00 C ATOM 1169 OD1 ASP A 75 28.394 2.310 -13.846 1.00 0.00 O ATOM 1170 OD2 ASP A 75 30.039 3.425 -12.908 1.00 0.00 O ATOM 0 H ASP A 75 27.143 6.614 -12.091 1.00 0.00 H new ATOM 0 HA ASP A 75 28.535 5.567 -14.333 1.00 0.00 H new ATOM 0 HB2 ASP A 75 28.214 4.777 -11.792 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.895 3.853 -12.483 1.00 0.00 H new ATOM 1175 N MET A 76 25.262 5.157 -14.251 1.00 0.00 N ATOM 1176 CA MET A 76 24.105 4.804 -15.065 1.00 0.00 C ATOM 1177 C MET A 76 24.015 5.695 -16.299 1.00 0.00 C ATOM 1178 O MET A 76 23.600 5.249 -17.369 1.00 0.00 O ATOM 1179 CB MET A 76 22.821 4.922 -14.242 1.00 0.00 C ATOM 1180 CG MET A 76 22.627 3.786 -13.250 1.00 0.00 C ATOM 1181 SD MET A 76 22.751 2.162 -14.022 1.00 0.00 S ATOM 1182 CE MET A 76 21.379 2.227 -15.171 1.00 0.00 C ATOM 0 H MET A 76 25.033 5.507 -13.321 1.00 0.00 H new ATOM 0 HA MET A 76 24.225 3.771 -15.393 1.00 0.00 H new ATOM 0 HB2 MET A 76 22.832 5.868 -13.701 1.00 0.00 H new ATOM 0 HB3 MET A 76 21.967 4.952 -14.919 1.00 0.00 H new ATOM 0 HG2 MET A 76 23.374 3.867 -12.460 1.00 0.00 H new ATOM 0 HG3 MET A 76 21.650 3.885 -12.776 1.00 0.00 H new ATOM 0 HE1 MET A 76 20.950 1.231 -15.282 1.00 0.00 H new ATOM 0 HE2 MET A 76 20.619 2.910 -14.792 1.00 0.00 H new ATOM 0 HE3 MET A 76 21.732 2.579 -16.140 1.00 0.00 H new ATOM 1192 N ILE A 77 24.406 6.955 -16.143 1.00 0.00 N ATOM 1193 CA ILE A 77 24.371 7.908 -17.246 1.00 0.00 C ATOM 1194 C ILE A 77 25.568 7.723 -18.171 1.00 0.00 C ATOM 1195 O ILE A 77 25.437 7.793 -19.393 1.00 0.00 O ATOM 1196 CB ILE A 77 24.351 9.361 -16.734 1.00 0.00 C ATOM 1197 CG1 ILE A 77 23.183 9.568 -15.767 1.00 0.00 C ATOM 1198 CG2 ILE A 77 24.258 10.332 -17.901 1.00 0.00 C ATOM 1199 CD1 ILE A 77 23.096 10.975 -15.218 1.00 0.00 C ATOM 0 H ILE A 77 24.751 7.340 -15.264 1.00 0.00 H new ATOM 0 HA ILE A 77 23.453 7.714 -17.801 1.00 0.00 H new ATOM 0 HB ILE A 77 25.280 9.555 -16.198 1.00 0.00 H new ATOM 0 HG12 ILE A 77 22.251 9.328 -16.279 1.00 0.00 H new ATOM 0 HG13 ILE A 77 23.280 8.868 -14.937 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.245 11.354 -17.523 1.00 0.00 H new ATOM 0 HG22 ILE A 77 25.119 10.198 -18.555 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.343 10.140 -18.462 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.246 11.049 -14.540 1.00 0.00 H new ATOM 0 HD12 ILE A 77 24.012 11.212 -14.678 1.00 0.00 H new ATOM 0 HD13 ILE A 77 22.967 11.679 -16.040 1.00 0.00 H new ATOM 1211 N GLU A 78 26.735 7.485 -17.580 1.00 0.00 N ATOM 1212 CA GLU A 78 27.956 7.288 -18.353 1.00 0.00 C ATOM 1213 C GLU A 78 27.730 6.284 -19.480 1.00 0.00 C ATOM 1214 O GLU A 78 28.334 6.385 -20.548 1.00 0.00 O ATOM 1215 CB GLU A 78 29.088 6.805 -17.444 1.00 0.00 C ATOM 1216 CG GLU A 78 30.468 7.237 -17.909 1.00 0.00 C ATOM 1217 CD GLU A 78 31.555 6.264 -17.495 1.00 0.00 C ATOM 1218 OE1 GLU A 78 31.420 5.646 -16.419 1.00 0.00 O ATOM 1219 OE2 GLU A 78 32.542 6.122 -18.248 1.00 0.00 O ATOM 0 H GLU A 78 26.861 7.424 -16.570 1.00 0.00 H new ATOM 0 HA GLU A 78 28.236 8.245 -18.793 1.00 0.00 H new ATOM 0 HB2 GLU A 78 28.919 7.182 -16.436 1.00 0.00 H new ATOM 0 HB3 GLU A 78 29.057 5.717 -17.386 1.00 0.00 H new ATOM 0 HG2 GLU A 78 30.467 7.335 -18.995 1.00 0.00 H new ATOM 0 HG3 GLU A 78 30.693 8.222 -17.501 1.00 0.00 H new ATOM 1226 N THR A 79 26.855 5.314 -19.234 1.00 0.00 N ATOM 1227 CA THR A 79 26.549 4.291 -20.226 1.00 0.00 C ATOM 1228 C THR A 79 25.649 4.842 -21.325 1.00 0.00 C ATOM 1229 O THR A 79 25.664 4.356 -22.456 1.00 0.00 O ATOM 1230 CB THR A 79 25.864 3.070 -19.581 1.00 0.00 C ATOM 1231 OG1 THR A 79 25.766 2.005 -20.533 1.00 0.00 O ATOM 1232 CG2 THR A 79 24.477 3.433 -19.074 1.00 0.00 C ATOM 0 H THR A 79 26.346 5.215 -18.356 1.00 0.00 H new ATOM 0 HA THR A 79 27.499 3.979 -20.661 1.00 0.00 H new ATOM 0 HB THR A 79 26.469 2.746 -18.734 1.00 0.00 H new ATOM 0 HG1 THR A 79 25.331 1.232 -20.116 1.00 0.00 H new ATOM 0 HG21 THR A 79 24.013 2.556 -18.623 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.558 4.224 -18.329 1.00 0.00 H new ATOM 0 HG23 THR A 79 23.865 3.780 -19.906 1.00 0.00 H new ATOM 1240 N LEU A 80 24.866 5.861 -20.987 1.00 0.00 N ATOM 1241 CA LEU A 80 23.958 6.480 -21.946 1.00 0.00 C ATOM 1242 C LEU A 80 24.732 7.278 -22.991 1.00 0.00 C ATOM 1243 O LEU A 80 24.295 7.414 -24.134 1.00 0.00 O ATOM 1244 CB LEU A 80 22.965 7.392 -21.224 1.00 0.00 C ATOM 1245 CG LEU A 80 22.210 6.766 -20.051 1.00 0.00 C ATOM 1246 CD1 LEU A 80 21.210 7.755 -19.471 1.00 0.00 C ATOM 1247 CD2 LEU A 80 21.508 5.489 -20.489 1.00 0.00 C ATOM 0 H LEU A 80 24.842 6.276 -20.056 1.00 0.00 H new ATOM 0 HA LEU A 80 23.409 5.687 -22.454 1.00 0.00 H new ATOM 0 HB2 LEU A 80 23.504 8.266 -20.858 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.235 7.749 -21.951 1.00 0.00 H new ATOM 0 HG LEU A 80 22.931 6.512 -19.274 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.682 7.292 -18.637 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.737 8.642 -19.119 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.493 8.041 -20.241 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.976 5.057 -19.641 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.799 5.718 -21.284 1.00 0.00 H new ATOM 0 HD23 LEU A 80 22.246 4.776 -20.856 1.00 0.00 H new ATOM 1259 N LYS A 81 25.885 7.803 -22.592 1.00 0.00 N ATOM 1260 CA LYS A 81 26.723 8.586 -23.493 1.00 0.00 C ATOM 1261 C LYS A 81 27.590 7.676 -24.357 1.00 0.00 C ATOM 1262 O LYS A 81 27.484 7.683 -25.583 1.00 0.00 O ATOM 1263 CB LYS A 81 27.608 9.546 -22.695 1.00 0.00 C ATOM 1264 CG LYS A 81 26.864 10.757 -22.160 1.00 0.00 C ATOM 1265 CD LYS A 81 26.368 10.526 -20.743 1.00 0.00 C ATOM 1266 CE LYS A 81 27.503 10.614 -19.734 1.00 0.00 C ATOM 1267 NZ LYS A 81 28.173 11.943 -19.767 1.00 0.00 N ATOM 0 H LYS A 81 26.261 7.701 -21.649 1.00 0.00 H new ATOM 0 HA LYS A 81 26.070 9.164 -24.147 1.00 0.00 H new ATOM 0 HB2 LYS A 81 28.054 9.006 -21.860 1.00 0.00 H new ATOM 0 HB3 LYS A 81 28.427 9.884 -23.330 1.00 0.00 H new ATOM 0 HG2 LYS A 81 27.521 11.626 -22.179 1.00 0.00 H new ATOM 0 HG3 LYS A 81 26.019 10.982 -22.810 1.00 0.00 H new ATOM 0 HD2 LYS A 81 25.604 11.265 -20.499 1.00 0.00 H new ATOM 0 HD3 LYS A 81 25.896 9.546 -20.677 1.00 0.00 H new ATOM 0 HE2 LYS A 81 27.114 10.428 -18.733 1.00 0.00 H new ATOM 0 HE3 LYS A 81 28.235 9.833 -19.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 28.675 12.101 -18.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 28.853 11.970 -20.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 27.460 12.688 -19.900 1.00 0.00 H new ATOM 1281 N MET A 82 28.448 6.894 -23.709 1.00 0.00 N ATOM 1282 CA MET A 82 29.333 5.978 -24.419 1.00 0.00 C ATOM 1283 C MET A 82 28.645 5.406 -25.655 1.00 0.00 C ATOM 1284 O MET A 82 29.255 5.288 -26.716 1.00 0.00 O ATOM 1285 CB MET A 82 29.774 4.842 -23.495 1.00 0.00 C ATOM 1286 CG MET A 82 28.781 3.692 -23.428 1.00 0.00 C ATOM 1287 SD MET A 82 29.438 2.257 -22.557 1.00 0.00 S ATOM 1288 CE MET A 82 29.954 3.004 -21.014 1.00 0.00 C ATOM 0 H MET A 82 28.549 6.877 -22.694 1.00 0.00 H new ATOM 0 HA MET A 82 30.212 6.537 -24.740 1.00 0.00 H new ATOM 0 HB2 MET A 82 30.737 4.461 -23.836 1.00 0.00 H new ATOM 0 HB3 MET A 82 29.926 5.239 -22.491 1.00 0.00 H new ATOM 0 HG2 MET A 82 27.873 4.030 -22.930 1.00 0.00 H new ATOM 0 HG3 MET A 82 28.500 3.401 -24.440 1.00 0.00 H new ATOM 0 HE1 MET A 82 31.037 3.128 -21.014 1.00 0.00 H new ATOM 0 HE2 MET A 82 29.477 3.978 -20.904 1.00 0.00 H new ATOM 0 HE3 MET A 82 29.663 2.361 -20.183 1.00 0.00 H new ATOM 1298 N GLU A 83 27.372 5.053 -25.508 1.00 0.00 N ATOM 1299 CA GLU A 83 26.603 4.493 -26.613 1.00 0.00 C ATOM 1300 C GLU A 83 26.325 5.552 -27.675 1.00 0.00 C ATOM 1301 O GLU A 83 26.456 5.295 -28.873 1.00 0.00 O ATOM 1302 CB GLU A 83 25.283 3.910 -26.101 1.00 0.00 C ATOM 1303 CG GLU A 83 25.464 2.771 -25.112 1.00 0.00 C ATOM 1304 CD GLU A 83 25.703 1.438 -25.795 1.00 0.00 C ATOM 1305 OE1 GLU A 83 26.502 1.399 -26.754 1.00 0.00 O ATOM 1306 OE2 GLU A 83 25.092 0.435 -25.371 1.00 0.00 O ATOM 0 H GLU A 83 26.852 5.145 -24.635 1.00 0.00 H new ATOM 0 HA GLU A 83 27.193 3.696 -27.065 1.00 0.00 H new ATOM 0 HB2 GLU A 83 24.705 4.703 -25.627 1.00 0.00 H new ATOM 0 HB3 GLU A 83 24.699 3.554 -26.950 1.00 0.00 H new ATOM 0 HG2 GLU A 83 26.305 2.995 -24.456 1.00 0.00 H new ATOM 0 HG3 GLU A 83 24.578 2.698 -24.481 1.00 0.00 H new ATOM 1313 N HIS A 84 25.941 6.743 -27.229 1.00 0.00 N ATOM 1314 CA HIS A 84 25.645 7.843 -28.141 1.00 0.00 C ATOM 1315 C HIS A 84 26.826 8.111 -29.070 1.00 0.00 C ATOM 1316 O HIS A 84 27.909 7.554 -28.890 1.00 0.00 O ATOM 1317 CB HIS A 84 25.304 9.108 -27.353 1.00 0.00 C ATOM 1318 CG HIS A 84 24.763 10.215 -28.205 1.00 0.00 C ATOM 1319 ND1 HIS A 84 23.416 10.392 -28.443 1.00 0.00 N ATOM 1320 CD2 HIS A 84 25.395 11.207 -28.875 1.00 0.00 C ATOM 1321 CE1 HIS A 84 23.243 11.444 -29.224 1.00 0.00 C ATOM 1322 NE2 HIS A 84 24.429 11.956 -29.500 1.00 0.00 N ATOM 0 H HIS A 84 25.827 6.972 -26.242 1.00 0.00 H new ATOM 0 HA HIS A 84 24.785 7.559 -28.748 1.00 0.00 H new ATOM 0 HB2 HIS A 84 24.572 8.861 -26.584 1.00 0.00 H new ATOM 0 HB3 HIS A 84 26.199 9.459 -26.840 1.00 0.00 H new ATOM 0 HD2 HIS A 84 26.461 11.378 -28.911 1.00 0.00 H new ATOM 0 HE1 HIS A 84 22.294 11.821 -29.576 1.00 0.00 H new ATOM 0 HE2 HIS A 84 24.600 12.775 -30.083 1.00 0.00 H new ATOM 1330 N HIS A 85 26.608 8.966 -30.064 1.00 0.00 N ATOM 1331 CA HIS A 85 27.654 9.307 -31.021 1.00 0.00 C ATOM 1332 C HIS A 85 28.606 10.347 -30.438 1.00 0.00 C ATOM 1333 O HIS A 85 28.958 11.322 -31.102 1.00 0.00 O ATOM 1334 CB HIS A 85 27.036 9.834 -32.317 1.00 0.00 C ATOM 1335 CG HIS A 85 25.738 9.177 -32.672 1.00 0.00 C ATOM 1336 ND1 HIS A 85 25.626 8.215 -33.654 1.00 0.00 N ATOM 1337 CD2 HIS A 85 24.493 9.346 -32.169 1.00 0.00 C ATOM 1338 CE1 HIS A 85 24.368 7.823 -33.741 1.00 0.00 C ATOM 1339 NE2 HIS A 85 23.660 8.494 -32.850 1.00 0.00 N ATOM 0 H HIS A 85 25.717 9.435 -30.228 1.00 0.00 H new ATOM 0 HA HIS A 85 28.222 8.403 -31.239 1.00 0.00 H new ATOM 0 HB2 HIS A 85 26.876 10.908 -32.223 1.00 0.00 H new ATOM 0 HB3 HIS A 85 27.743 9.687 -33.133 1.00 0.00 H new ATOM 0 HD2 HIS A 85 24.208 10.025 -31.379 1.00 0.00 H new ATOM 0 HE1 HIS A 85 23.983 7.080 -34.424 1.00 0.00 H new ATOM 0 HE2 HIS A 85 22.657 8.395 -32.694 1.00 0.00 H new ATOM 1347 N MET A 86 29.018 10.133 -29.193 1.00 0.00 N ATOM 1348 CA MET A 86 29.929 11.052 -28.521 1.00 0.00 C ATOM 1349 C MET A 86 30.910 10.293 -27.632 1.00 0.00 C ATOM 1350 O MET A 86 30.633 9.173 -27.204 1.00 0.00 O ATOM 1351 CB MET A 86 29.143 12.063 -27.684 1.00 0.00 C ATOM 1352 CG MET A 86 28.246 11.421 -26.639 1.00 0.00 C ATOM 1353 SD MET A 86 27.842 12.543 -25.286 1.00 0.00 S ATOM 1354 CE MET A 86 26.580 13.556 -26.053 1.00 0.00 C ATOM 0 H MET A 86 28.736 9.331 -28.629 1.00 0.00 H new ATOM 0 HA MET A 86 30.495 11.585 -29.285 1.00 0.00 H new ATOM 0 HB2 MET A 86 29.844 12.733 -27.187 1.00 0.00 H new ATOM 0 HB3 MET A 86 28.533 12.675 -28.348 1.00 0.00 H new ATOM 0 HG2 MET A 86 27.325 11.084 -27.114 1.00 0.00 H new ATOM 0 HG3 MET A 86 28.739 10.536 -26.237 1.00 0.00 H new ATOM 0 HE1 MET A 86 26.254 14.324 -25.351 1.00 0.00 H new ATOM 0 HE2 MET A 86 26.987 14.030 -26.946 1.00 0.00 H new ATOM 0 HE3 MET A 86 25.730 12.932 -26.329 1.00 0.00 H new ATOM 1364 N GLU A 87 32.055 10.910 -27.361 1.00 0.00 N ATOM 1365 CA GLU A 87 33.077 10.290 -26.525 1.00 0.00 C ATOM 1366 C GLU A 87 33.332 8.849 -26.956 1.00 0.00 C ATOM 1367 O GLU A 87 33.647 7.990 -26.133 1.00 0.00 O ATOM 1368 CB GLU A 87 32.655 10.327 -25.054 1.00 0.00 C ATOM 1369 CG GLU A 87 33.825 10.348 -24.086 1.00 0.00 C ATOM 1370 CD GLU A 87 33.383 10.339 -22.635 1.00 0.00 C ATOM 1371 OE1 GLU A 87 32.521 9.506 -22.284 1.00 0.00 O ATOM 1372 OE2 GLU A 87 33.897 11.165 -21.852 1.00 0.00 O ATOM 0 H GLU A 87 32.299 11.838 -27.708 1.00 0.00 H new ATOM 0 HA GLU A 87 34.001 10.856 -26.645 1.00 0.00 H new ATOM 0 HB2 GLU A 87 32.038 11.209 -24.884 1.00 0.00 H new ATOM 0 HB3 GLU A 87 32.034 9.457 -24.841 1.00 0.00 H new ATOM 0 HG2 GLU A 87 34.462 9.483 -24.273 1.00 0.00 H new ATOM 0 HG3 GLU A 87 34.430 11.236 -24.272 1.00 0.00 H new ATOM 1379 N ALA A 88 33.192 8.592 -28.252 1.00 0.00 N ATOM 1380 CA ALA A 88 33.408 7.256 -28.794 1.00 0.00 C ATOM 1381 C ALA A 88 34.771 7.152 -29.470 1.00 0.00 C ATOM 1382 O ALA A 88 35.431 8.161 -29.718 1.00 0.00 O ATOM 1383 CB ALA A 88 32.301 6.899 -29.775 1.00 0.00 C ATOM 0 H ALA A 88 32.930 9.292 -28.947 1.00 0.00 H new ATOM 0 HA ALA A 88 33.387 6.547 -27.966 1.00 0.00 H new ATOM 0 HB1 ALA A 88 32.475 5.899 -30.172 1.00 0.00 H new ATOM 0 HB2 ALA A 88 31.339 6.924 -29.263 1.00 0.00 H new ATOM 0 HB3 ALA A 88 32.295 7.618 -30.594 1.00 0.00 H new ATOM 1389 N HIS A 89 35.187 5.924 -29.766 1.00 0.00 N ATOM 1390 CA HIS A 89 36.473 5.689 -30.414 1.00 0.00 C ATOM 1391 C HIS A 89 37.617 6.241 -29.569 1.00 0.00 C ATOM 1392 O HIS A 89 38.521 6.899 -30.083 1.00 0.00 O ATOM 1393 CB HIS A 89 36.493 6.329 -31.802 1.00 0.00 C ATOM 1394 CG HIS A 89 35.402 5.839 -32.704 1.00 0.00 C ATOM 1395 ND1 HIS A 89 35.441 4.614 -33.335 1.00 0.00 N ATOM 1396 CD2 HIS A 89 34.236 6.417 -33.078 1.00 0.00 C ATOM 1397 CE1 HIS A 89 34.347 4.459 -34.060 1.00 0.00 C ATOM 1398 NE2 HIS A 89 33.599 5.539 -33.920 1.00 0.00 N ATOM 0 H HIS A 89 34.653 5.078 -29.568 1.00 0.00 H new ATOM 0 HA HIS A 89 36.608 4.612 -30.517 1.00 0.00 H new ATOM 0 HB2 HIS A 89 36.407 7.410 -31.696 1.00 0.00 H new ATOM 0 HB3 HIS A 89 37.457 6.131 -32.271 1.00 0.00 H new ATOM 0 HD2 HIS A 89 33.874 7.387 -32.771 1.00 0.00 H new ATOM 0 HE1 HIS A 89 34.106 3.597 -34.664 1.00 0.00 H new ATOM 0 HE2 HIS A 89 32.695 5.695 -34.365 1.00 0.00 H new ATOM 1406 N LYS A 90 37.570 5.970 -28.269 1.00 0.00 N ATOM 1407 CA LYS A 90 38.602 6.439 -27.352 1.00 0.00 C ATOM 1408 C LYS A 90 39.265 5.268 -26.634 1.00 0.00 C ATOM 1409 O LYS A 90 39.580 5.353 -25.448 1.00 0.00 O ATOM 1410 CB LYS A 90 38.002 7.405 -26.328 1.00 0.00 C ATOM 1411 CG LYS A 90 37.223 8.548 -26.954 1.00 0.00 C ATOM 1412 CD LYS A 90 38.144 9.668 -27.407 1.00 0.00 C ATOM 1413 CE LYS A 90 37.404 10.994 -27.504 1.00 0.00 C ATOM 1414 NZ LYS A 90 38.187 12.012 -28.258 1.00 0.00 N ATOM 0 H LYS A 90 36.828 5.428 -27.827 1.00 0.00 H new ATOM 0 HA LYS A 90 39.361 6.961 -27.935 1.00 0.00 H new ATOM 0 HB2 LYS A 90 37.343 6.850 -25.660 1.00 0.00 H new ATOM 0 HB3 LYS A 90 38.804 7.816 -25.715 1.00 0.00 H new ATOM 0 HG2 LYS A 90 36.653 8.177 -27.806 1.00 0.00 H new ATOM 0 HG3 LYS A 90 36.503 8.937 -26.234 1.00 0.00 H new ATOM 0 HD2 LYS A 90 38.974 9.764 -26.707 1.00 0.00 H new ATOM 0 HD3 LYS A 90 38.573 9.418 -28.377 1.00 0.00 H new ATOM 0 HE2 LYS A 90 36.443 10.839 -27.994 1.00 0.00 H new ATOM 0 HE3 LYS A 90 37.194 11.367 -26.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 37.649 12.901 -28.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 39.093 12.179 -27.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 38.366 11.668 -29.223 1.00 0.00 H new ATOM 1428 N ASN A 91 39.474 4.175 -27.362 1.00 0.00 N ATOM 1429 CA ASN A 91 40.101 2.987 -26.794 1.00 0.00 C ATOM 1430 C ASN A 91 41.374 2.628 -27.554 1.00 0.00 C ATOM 1431 O ASN A 91 41.451 2.795 -28.771 1.00 0.00 O ATOM 1432 CB ASN A 91 39.126 1.808 -26.823 1.00 0.00 C ATOM 1433 CG ASN A 91 38.757 1.397 -28.235 1.00 0.00 C ATOM 1434 OD1 ASN A 91 39.245 0.390 -28.748 1.00 0.00 O ATOM 1435 ND2 ASN A 91 37.892 2.178 -28.871 1.00 0.00 N ATOM 0 H ASN A 91 39.218 4.088 -28.346 1.00 0.00 H new ATOM 0 HA ASN A 91 40.366 3.205 -25.760 1.00 0.00 H new ATOM 0 HB2 ASN A 91 39.572 0.959 -26.305 1.00 0.00 H new ATOM 0 HB3 ASN A 91 38.221 2.075 -26.277 1.00 0.00 H new ATOM 0 HD21 ASN A 91 37.607 1.953 -29.824 1.00 0.00 H new ATOM 0 HD22 ASN A 91 37.513 3.003 -28.407 1.00 0.00 H new ATOM 1442 N SER A 92 42.371 2.132 -26.827 1.00 0.00 N ATOM 1443 CA SER A 92 43.642 1.752 -27.431 1.00 0.00 C ATOM 1444 C SER A 92 43.420 0.851 -28.642 1.00 0.00 C ATOM 1445 O SER A 92 43.982 1.080 -29.712 1.00 0.00 O ATOM 1446 CB SER A 92 44.526 1.039 -26.406 1.00 0.00 C ATOM 1447 OG SER A 92 45.875 0.997 -26.837 1.00 0.00 O ATOM 0 H SER A 92 42.322 1.984 -25.819 1.00 0.00 H new ATOM 0 HA SER A 92 44.144 2.661 -27.763 1.00 0.00 H new ATOM 0 HB2 SER A 92 44.463 1.553 -25.447 1.00 0.00 H new ATOM 0 HB3 SER A 92 44.160 0.025 -26.248 1.00 0.00 H new ATOM 0 HG SER A 92 46.419 0.538 -26.164 1.00 0.00 H new ATOM 1453 N GLY A 93 42.596 -0.177 -28.464 1.00 0.00 N ATOM 1454 CA GLY A 93 42.314 -1.098 -29.549 1.00 0.00 C ATOM 1455 C GLY A 93 41.253 -2.118 -29.183 1.00 0.00 C ATOM 1456 O GLY A 93 40.159 -2.136 -29.746 1.00 0.00 O ATOM 0 H GLY A 93 42.119 -0.388 -27.588 1.00 0.00 H new ATOM 0 HA2 GLY A 93 41.986 -0.535 -30.423 1.00 0.00 H new ATOM 0 HA3 GLY A 93 43.231 -1.617 -29.829 1.00 0.00 H new ATOM 1460 N PRO A 94 41.576 -2.993 -28.218 1.00 0.00 N ATOM 1461 CA PRO A 94 40.656 -4.036 -27.757 1.00 0.00 C ATOM 1462 C PRO A 94 39.475 -3.466 -26.980 1.00 0.00 C ATOM 1463 O PRO A 94 39.370 -2.254 -26.792 1.00 0.00 O ATOM 1464 CB PRO A 94 41.529 -4.900 -26.844 1.00 0.00 C ATOM 1465 CG PRO A 94 42.606 -3.985 -26.372 1.00 0.00 C ATOM 1466 CD PRO A 94 42.863 -3.030 -27.504 1.00 0.00 C ATOM 0 HA PRO A 94 40.211 -4.583 -28.588 1.00 0.00 H new ATOM 0 HB2 PRO A 94 40.954 -5.299 -26.008 1.00 0.00 H new ATOM 0 HB3 PRO A 94 41.942 -5.753 -27.383 1.00 0.00 H new ATOM 0 HG2 PRO A 94 42.298 -3.451 -25.473 1.00 0.00 H new ATOM 0 HG3 PRO A 94 43.508 -4.542 -26.119 1.00 0.00 H new ATOM 0 HD2 PRO A 94 43.149 -2.043 -27.140 1.00 0.00 H new ATOM 0 HD3 PRO A 94 43.670 -3.378 -28.148 1.00 0.00 H new ATOM 1474 N SER A 95 38.587 -4.347 -26.530 1.00 0.00 N ATOM 1475 CA SER A 95 37.411 -3.930 -25.775 1.00 0.00 C ATOM 1476 C SER A 95 36.800 -2.667 -26.374 1.00 0.00 C ATOM 1477 O SER A 95 36.406 -1.751 -25.652 1.00 0.00 O ATOM 1478 CB SER A 95 37.779 -3.686 -24.310 1.00 0.00 C ATOM 1479 OG SER A 95 38.557 -2.510 -24.168 1.00 0.00 O ATOM 0 H SER A 95 38.660 -5.354 -26.675 1.00 0.00 H new ATOM 0 HA SER A 95 36.673 -4.731 -25.829 1.00 0.00 H new ATOM 0 HB2 SER A 95 36.871 -3.599 -23.713 1.00 0.00 H new ATOM 0 HB3 SER A 95 38.333 -4.541 -23.924 1.00 0.00 H new ATOM 0 HG SER A 95 38.939 -2.264 -25.036 1.00 0.00 H new ATOM 1485 N SER A 96 36.726 -2.625 -27.701 1.00 0.00 N ATOM 1486 CA SER A 96 36.167 -1.473 -28.399 1.00 0.00 C ATOM 1487 C SER A 96 34.846 -1.044 -27.769 1.00 0.00 C ATOM 1488 O SER A 96 33.799 -1.636 -28.031 1.00 0.00 O ATOM 1489 CB SER A 96 35.958 -1.800 -29.879 1.00 0.00 C ATOM 1490 OG SER A 96 35.995 -0.625 -30.671 1.00 0.00 O ATOM 0 H SER A 96 37.046 -3.375 -28.314 1.00 0.00 H new ATOM 0 HA SER A 96 36.874 -0.648 -28.313 1.00 0.00 H new ATOM 0 HB2 SER A 96 36.730 -2.493 -30.214 1.00 0.00 H new ATOM 0 HB3 SER A 96 35.000 -2.302 -30.012 1.00 0.00 H new ATOM 0 HG SER A 96 35.861 -0.861 -31.613 1.00 0.00 H new ATOM 1496 N GLY A 97 34.902 -0.009 -26.937 1.00 0.00 N ATOM 1497 CA GLY A 97 33.705 0.483 -26.282 1.00 0.00 C ATOM 1498 C GLY A 97 34.009 1.518 -25.217 1.00 0.00 C ATOM 1499 O GLY A 97 35.160 1.917 -25.042 1.00 0.00 O ATOM 0 H GLY A 97 35.756 0.498 -26.705 1.00 0.00 H new ATOM 0 HA2 GLY A 97 33.040 0.918 -27.028 1.00 0.00 H new ATOM 0 HA3 GLY A 97 33.173 -0.354 -25.829 1.00 0.00 H new TER 1503 GLY A 97