USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 661 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 78 TYR OH : rot 169:sc= -2.78! USER MOD Set 1.2: A 83 SER OG : rot -65:sc= 0.0229 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 10 GLN : amide:sc= -2.69 K(o=-2.7,f=-4.1!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot -176:sc= 0.0137 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -1.62! K(o=-1.6!,f=-0.014) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -106:sc= 0.462 (180deg=-0.0132) USER MOD Single : A 46 HIS : no HD1:sc= -3.95! C(o=-4!,f=-6.2!) USER MOD Single : A 49 LYS NZ :NH3+ 128:sc= -0.129 (180deg=-0.608) USER MOD Single : A 50 ASN : amide:sc= -5.01! C(o=-5!,f=-4.2!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -74:sc= 0.399 USER MOD Single : A 71 ASN : amide:sc= 0.62 K(o=0.62,f=-7.5!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 83:sc= 1.1 USER MOD Single : A 77 ASN : amide:sc= -0.26 K(o=-0.26,f=-1!) USER MOD Single : A 80 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-3.1!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.061 2.032 -26.183 1.00 0.00 N ATOM 2 CA GLY A 1 -5.436 3.270 -25.526 1.00 0.00 C ATOM 3 C GLY A 1 -5.397 4.460 -26.466 1.00 0.00 C ATOM 4 O GLY A 1 -4.600 5.379 -26.281 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.103 1.249 -25.499 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.717 1.842 -26.967 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.093 2.115 -26.554 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.440 3.169 -25.114 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.764 3.451 -24.687 1.00 0.00 H new ATOM 8 N SER A 2 -6.258 4.441 -27.478 1.00 0.00 N ATOM 9 CA SER A 2 -6.315 5.523 -28.453 1.00 0.00 C ATOM 10 C SER A 2 -7.441 6.497 -28.119 1.00 0.00 C ATOM 11 O SER A 2 -8.510 6.094 -27.661 1.00 0.00 O ATOM 12 CB SER A 2 -6.515 4.959 -29.861 1.00 0.00 C ATOM 13 OG SER A 2 -5.364 4.259 -30.298 1.00 0.00 O ATOM 0 H SER A 2 -6.926 3.688 -27.644 1.00 0.00 H new ATOM 0 HA SER A 2 -5.368 6.062 -28.416 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.376 4.291 -29.869 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.735 5.771 -30.554 1.00 0.00 H new ATOM 0 HG SER A 2 -5.518 3.907 -31.200 1.00 0.00 H new ATOM 19 N SER A 3 -7.192 7.782 -28.351 1.00 0.00 N ATOM 20 CA SER A 3 -8.182 8.815 -28.071 1.00 0.00 C ATOM 21 C SER A 3 -8.616 8.770 -26.609 1.00 0.00 C ATOM 22 O SER A 3 -9.803 8.862 -26.299 1.00 0.00 O ATOM 23 CB SER A 3 -9.399 8.645 -28.982 1.00 0.00 C ATOM 24 OG SER A 3 -9.147 9.169 -30.274 1.00 0.00 O ATOM 0 H SER A 3 -6.313 8.132 -28.732 1.00 0.00 H new ATOM 0 HA SER A 3 -7.724 9.785 -28.266 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.655 7.588 -29.058 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.259 9.150 -28.543 1.00 0.00 H new ATOM 0 HG SER A 3 -9.940 9.046 -30.837 1.00 0.00 H new ATOM 30 N GLY A 4 -7.643 8.628 -25.714 1.00 0.00 N ATOM 31 CA GLY A 4 -7.944 8.572 -24.295 1.00 0.00 C ATOM 32 C GLY A 4 -7.826 9.927 -23.624 1.00 0.00 C ATOM 33 O GLY A 4 -6.728 10.361 -23.276 1.00 0.00 O ATOM 0 H GLY A 4 -6.653 8.551 -25.946 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.954 8.188 -24.156 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.266 7.869 -23.810 1.00 0.00 H new ATOM 37 N SER A 5 -8.960 10.596 -23.444 1.00 0.00 N ATOM 38 CA SER A 5 -8.979 11.912 -22.816 1.00 0.00 C ATOM 39 C SER A 5 -8.994 11.788 -21.295 1.00 0.00 C ATOM 40 O SER A 5 -8.097 12.282 -20.612 1.00 0.00 O ATOM 41 CB SER A 5 -10.198 12.708 -23.286 1.00 0.00 C ATOM 42 OG SER A 5 -10.072 14.079 -22.951 1.00 0.00 O ATOM 0 H SER A 5 -9.877 10.249 -23.724 1.00 0.00 H new ATOM 0 HA SER A 5 -8.073 12.441 -23.111 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.311 12.603 -24.365 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.100 12.300 -22.830 1.00 0.00 H new ATOM 0 HG SER A 5 -10.863 14.566 -23.264 1.00 0.00 H new ATOM 48 N SER A 6 -10.020 11.124 -20.772 1.00 0.00 N ATOM 49 CA SER A 6 -10.156 10.937 -19.332 1.00 0.00 C ATOM 50 C SER A 6 -8.916 10.263 -18.753 1.00 0.00 C ATOM 51 O SER A 6 -8.402 9.296 -19.313 1.00 0.00 O ATOM 52 CB SER A 6 -11.398 10.101 -19.020 1.00 0.00 C ATOM 53 OG SER A 6 -11.931 10.434 -17.750 1.00 0.00 O ATOM 0 H SER A 6 -10.769 10.707 -21.324 1.00 0.00 H new ATOM 0 HA SER A 6 -10.263 11.919 -18.871 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.153 10.265 -19.789 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.143 9.042 -19.044 1.00 0.00 H new ATOM 0 HG SER A 6 -12.725 9.887 -17.575 1.00 0.00 H new ATOM 59 N GLY A 7 -8.440 10.782 -17.625 1.00 0.00 N ATOM 60 CA GLY A 7 -7.264 10.219 -16.988 1.00 0.00 C ATOM 61 C GLY A 7 -7.578 9.589 -15.645 1.00 0.00 C ATOM 62 O GLY A 7 -8.719 9.205 -15.385 1.00 0.00 O ATOM 0 H GLY A 7 -8.848 11.582 -17.141 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.823 9.468 -17.644 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.518 11.002 -16.853 1.00 0.00 H new ATOM 66 N ILE A 8 -6.565 9.480 -14.793 1.00 0.00 N ATOM 67 CA ILE A 8 -6.739 8.891 -13.471 1.00 0.00 C ATOM 68 C ILE A 8 -6.799 9.968 -12.393 1.00 0.00 C ATOM 69 O ILE A 8 -6.282 11.071 -12.573 1.00 0.00 O ATOM 70 CB ILE A 8 -5.601 7.909 -13.138 1.00 0.00 C ATOM 71 CG1 ILE A 8 -4.314 8.674 -12.823 1.00 0.00 C ATOM 72 CG2 ILE A 8 -5.380 6.943 -14.292 1.00 0.00 C ATOM 73 CD1 ILE A 8 -3.682 9.320 -14.036 1.00 0.00 C ATOM 0 H ILE A 8 -5.615 9.792 -14.994 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.683 8.347 -13.490 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.884 7.333 -12.257 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.531 9.444 -12.083 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.596 7.990 -12.370 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.572 6.255 -14.041 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.294 6.378 -14.474 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.115 7.502 -15.189 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.774 9.844 -13.737 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.433 8.552 -14.769 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.382 10.029 -14.477 1.00 0.00 H new ATOM 85 N LEU A 9 -7.430 9.640 -11.271 1.00 0.00 N ATOM 86 CA LEU A 9 -7.556 10.578 -10.161 1.00 0.00 C ATOM 87 C LEU A 9 -7.729 9.838 -8.839 1.00 0.00 C ATOM 88 O LEU A 9 -8.107 8.667 -8.818 1.00 0.00 O ATOM 89 CB LEU A 9 -8.742 11.516 -10.392 1.00 0.00 C ATOM 90 CG LEU A 9 -8.729 12.823 -9.599 1.00 0.00 C ATOM 91 CD1 LEU A 9 -7.620 13.738 -10.095 1.00 0.00 C ATOM 92 CD2 LEU A 9 -10.079 13.518 -9.694 1.00 0.00 C ATOM 0 H LEU A 9 -7.863 8.731 -11.106 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.640 11.166 -10.110 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.786 11.759 -11.454 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.658 10.977 -10.150 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.537 12.588 -8.552 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.627 14.663 -9.519 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.657 13.242 -9.974 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.780 13.966 -11.149 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.051 14.446 -9.124 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.301 13.740 -10.738 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.853 12.866 -9.289 1.00 0.00 H new ATOM 104 N GLN A 10 -7.451 10.529 -7.739 1.00 0.00 N ATOM 105 CA GLN A 10 -7.578 9.937 -6.412 1.00 0.00 C ATOM 106 C GLN A 10 -9.033 9.600 -6.103 1.00 0.00 C ATOM 107 O GLN A 10 -9.872 10.491 -5.970 1.00 0.00 O ATOM 108 CB GLN A 10 -7.026 10.890 -5.350 1.00 0.00 C ATOM 109 CG GLN A 10 -7.326 10.453 -3.926 1.00 0.00 C ATOM 110 CD GLN A 10 -8.640 11.007 -3.411 1.00 0.00 C ATOM 111 OE1 GLN A 10 -9.151 12.003 -3.923 1.00 0.00 O ATOM 112 NE2 GLN A 10 -9.196 10.362 -2.391 1.00 0.00 N ATOM 0 H GLN A 10 -7.136 11.499 -7.740 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.999 9.013 -6.397 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.947 10.975 -5.475 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -7.445 11.883 -5.512 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.353 9.364 -3.882 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.517 10.779 -3.272 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.738 9.540 -1.997 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.081 10.689 -2.002 1.00 0.00 H new ATOM 121 N SER A 11 -9.324 8.308 -5.990 1.00 0.00 N ATOM 122 CA SER A 11 -10.679 7.853 -5.701 1.00 0.00 C ATOM 123 C SER A 11 -10.968 7.923 -4.204 1.00 0.00 C ATOM 124 O SER A 11 -11.862 8.647 -3.765 1.00 0.00 O ATOM 125 CB SER A 11 -10.878 6.422 -6.204 1.00 0.00 C ATOM 126 OG SER A 11 -12.254 6.126 -6.371 1.00 0.00 O ATOM 0 H SER A 11 -8.640 7.558 -6.094 1.00 0.00 H new ATOM 0 HA SER A 11 -11.375 8.512 -6.219 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.357 6.291 -7.152 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.435 5.720 -5.497 1.00 0.00 H new ATOM 0 HG SER A 11 -12.354 5.206 -6.695 1.00 0.00 H new ATOM 132 N LEU A 12 -10.204 7.164 -3.425 1.00 0.00 N ATOM 133 CA LEU A 12 -10.376 7.139 -1.977 1.00 0.00 C ATOM 134 C LEU A 12 -9.039 7.325 -1.266 1.00 0.00 C ATOM 135 O LEU A 12 -7.982 7.298 -1.895 1.00 0.00 O ATOM 136 CB LEU A 12 -11.017 5.819 -1.543 1.00 0.00 C ATOM 137 CG LEU A 12 -12.424 5.549 -2.077 1.00 0.00 C ATOM 138 CD1 LEU A 12 -12.685 4.054 -2.164 1.00 0.00 C ATOM 139 CD2 LEU A 12 -13.467 6.224 -1.199 1.00 0.00 C ATOM 0 H LEU A 12 -9.460 6.558 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.032 7.964 -1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.368 5.002 -1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.053 5.796 -0.454 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.497 5.968 -3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -13.691 3.882 -2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.959 3.596 -2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.592 3.610 -1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -14.462 6.021 -1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -13.394 5.836 -0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -13.293 7.300 -1.189 1.00 0.00 H new ATOM 151 N SER A 13 -9.095 7.513 0.049 1.00 0.00 N ATOM 152 CA SER A 13 -7.889 7.705 0.845 1.00 0.00 C ATOM 153 C SER A 13 -6.959 6.501 0.722 1.00 0.00 C ATOM 154 O SER A 13 -7.359 5.366 0.980 1.00 0.00 O ATOM 155 CB SER A 13 -8.252 7.936 2.313 1.00 0.00 C ATOM 156 OG SER A 13 -9.138 9.033 2.452 1.00 0.00 O ATOM 0 H SER A 13 -9.962 7.536 0.585 1.00 0.00 H new ATOM 0 HA SER A 13 -7.369 8.584 0.465 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.713 7.037 2.723 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.346 8.121 2.890 1.00 0.00 H new ATOM 0 HG SER A 13 -9.356 9.159 3.399 1.00 0.00 H new ATOM 162 N ALA A 14 -5.716 6.759 0.328 1.00 0.00 N ATOM 163 CA ALA A 14 -4.729 5.698 0.173 1.00 0.00 C ATOM 164 C ALA A 14 -4.143 5.292 1.521 1.00 0.00 C ATOM 165 O ALA A 14 -4.262 6.022 2.507 1.00 0.00 O ATOM 166 CB ALA A 14 -3.622 6.141 -0.773 1.00 0.00 C ATOM 0 H ALA A 14 -5.369 7.693 0.111 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.230 4.829 -0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.892 5.339 -0.880 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.049 6.375 -1.748 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.132 7.027 -0.370 1.00 0.00 H new ATOM 172 N LEU A 15 -3.512 4.124 1.559 1.00 0.00 N ATOM 173 CA LEU A 15 -2.908 3.620 2.788 1.00 0.00 C ATOM 174 C LEU A 15 -1.401 3.454 2.625 1.00 0.00 C ATOM 175 O LEU A 15 -0.866 3.591 1.525 1.00 0.00 O ATOM 176 CB LEU A 15 -3.541 2.283 3.179 1.00 0.00 C ATOM 177 CG LEU A 15 -2.990 1.046 2.469 1.00 0.00 C ATOM 178 CD1 LEU A 15 -3.280 -0.208 3.278 1.00 0.00 C ATOM 179 CD2 LEU A 15 -3.578 0.928 1.070 1.00 0.00 C ATOM 0 H LEU A 15 -3.405 3.508 0.753 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.091 4.347 3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.417 2.146 4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.612 2.341 2.986 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.909 1.154 2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.880 -1.078 2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.811 -0.125 4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.357 -0.321 3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.175 0.042 0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.663 0.844 1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.318 1.814 0.490 1.00 0.00 H new ATOM 191 N ASP A 16 -0.722 3.155 3.727 1.00 0.00 N ATOM 192 CA ASP A 16 0.724 2.967 3.707 1.00 0.00 C ATOM 193 C ASP A 16 1.166 2.291 2.412 1.00 0.00 C ATOM 194 O ASP A 16 1.971 2.838 1.658 1.00 0.00 O ATOM 195 CB ASP A 16 1.168 2.133 4.909 1.00 0.00 C ATOM 196 CG ASP A 16 0.994 2.871 6.222 1.00 0.00 C ATOM 197 OD1 ASP A 16 1.683 3.893 6.424 1.00 0.00 O ATOM 198 OD2 ASP A 16 0.170 2.426 7.048 1.00 0.00 O ATOM 0 H ASP A 16 -1.150 3.038 4.645 1.00 0.00 H new ATOM 0 HA ASP A 16 1.194 3.949 3.763 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.594 1.207 4.937 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.215 1.855 4.788 1.00 0.00 H new ATOM 203 N PHE A 17 0.635 1.099 2.162 1.00 0.00 N ATOM 204 CA PHE A 17 0.975 0.348 0.960 1.00 0.00 C ATOM 205 C PHE A 17 -0.200 -0.513 0.505 1.00 0.00 C ATOM 206 O PHE A 17 -1.125 -0.775 1.274 1.00 0.00 O ATOM 207 CB PHE A 17 2.200 -0.534 1.214 1.00 0.00 C ATOM 208 CG PHE A 17 1.918 -1.709 2.106 1.00 0.00 C ATOM 209 CD1 PHE A 17 1.178 -2.785 1.643 1.00 0.00 C ATOM 210 CD2 PHE A 17 2.393 -1.737 3.408 1.00 0.00 C ATOM 211 CE1 PHE A 17 0.917 -3.867 2.463 1.00 0.00 C ATOM 212 CE2 PHE A 17 2.134 -2.816 4.232 1.00 0.00 C ATOM 213 CZ PHE A 17 1.396 -3.883 3.758 1.00 0.00 C ATOM 0 H PHE A 17 -0.033 0.632 2.776 1.00 0.00 H new ATOM 0 HA PHE A 17 1.207 1.062 0.169 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.581 -0.896 0.259 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.987 0.072 1.663 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.801 -2.778 0.631 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.972 -0.906 3.783 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.339 -4.700 2.091 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.508 -2.825 5.245 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.194 -4.728 4.399 1.00 0.00 H new ATOM 223 N ASP A 18 -0.155 -0.949 -0.749 1.00 0.00 N ATOM 224 CA ASP A 18 -1.215 -1.781 -1.307 1.00 0.00 C ATOM 225 C ASP A 18 -0.711 -3.194 -1.579 1.00 0.00 C ATOM 226 O ASP A 18 0.420 -3.402 -2.021 1.00 0.00 O ATOM 227 CB ASP A 18 -1.753 -1.161 -2.598 1.00 0.00 C ATOM 228 CG ASP A 18 -3.216 -1.484 -2.830 1.00 0.00 C ATOM 229 OD1 ASP A 18 -4.073 -0.848 -2.183 1.00 0.00 O ATOM 230 OD2 ASP A 18 -3.503 -2.374 -3.658 1.00 0.00 O ATOM 0 H ASP A 18 0.604 -0.740 -1.398 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.022 -1.837 -0.576 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.625 -0.079 -2.559 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.166 -1.521 -3.443 1.00 0.00 H new ATOM 235 N PRO A 19 -1.566 -4.191 -1.309 1.00 0.00 N ATOM 236 CA PRO A 19 -1.229 -5.602 -1.516 1.00 0.00 C ATOM 237 C PRO A 19 -1.124 -5.962 -2.994 1.00 0.00 C ATOM 238 O PRO A 19 -0.245 -6.724 -3.397 1.00 0.00 O ATOM 239 CB PRO A 19 -2.399 -6.346 -0.866 1.00 0.00 C ATOM 240 CG PRO A 19 -3.536 -5.385 -0.922 1.00 0.00 C ATOM 241 CD PRO A 19 -2.930 -4.016 -0.780 1.00 0.00 C ATOM 0 HA PRO A 19 -0.257 -5.855 -1.092 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.631 -7.266 -1.403 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.168 -6.627 0.162 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.078 -5.476 -1.864 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.251 -5.580 -0.123 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.488 -3.269 -1.345 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.919 -3.687 0.259 1.00 0.00 H new ATOM 249 N TYR A 20 -2.026 -5.410 -3.798 1.00 0.00 N ATOM 250 CA TYR A 20 -2.036 -5.674 -5.232 1.00 0.00 C ATOM 251 C TYR A 20 -0.823 -5.046 -5.910 1.00 0.00 C ATOM 252 O TYR A 20 -0.135 -5.692 -6.701 1.00 0.00 O ATOM 253 CB TYR A 20 -3.322 -5.137 -5.862 1.00 0.00 C ATOM 254 CG TYR A 20 -4.452 -6.142 -5.883 1.00 0.00 C ATOM 255 CD1 TYR A 20 -5.301 -6.284 -4.793 1.00 0.00 C ATOM 256 CD2 TYR A 20 -4.669 -6.949 -6.993 1.00 0.00 C ATOM 257 CE1 TYR A 20 -6.334 -7.201 -4.807 1.00 0.00 C ATOM 258 CE2 TYR A 20 -5.700 -7.868 -7.016 1.00 0.00 C ATOM 259 CZ TYR A 20 -6.530 -7.990 -5.921 1.00 0.00 C ATOM 260 OH TYR A 20 -7.558 -8.905 -5.941 1.00 0.00 O ATOM 0 H TYR A 20 -2.760 -4.777 -3.481 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.992 -6.753 -5.377 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.644 -4.252 -5.312 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.111 -4.819 -6.883 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.151 -5.667 -3.919 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.021 -6.856 -7.852 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.984 -7.299 -3.950 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.855 -8.488 -7.887 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.523 -9.418 -6.775 1.00 0.00 H new ATOM 270 N ARG A 21 -0.566 -3.781 -5.594 1.00 0.00 N ATOM 271 CA ARG A 21 0.564 -3.063 -6.173 1.00 0.00 C ATOM 272 C ARG A 21 1.882 -3.743 -5.814 1.00 0.00 C ATOM 273 O ARG A 21 2.754 -3.918 -6.664 1.00 0.00 O ATOM 274 CB ARG A 21 0.577 -1.613 -5.686 1.00 0.00 C ATOM 275 CG ARG A 21 -0.655 -0.822 -6.094 1.00 0.00 C ATOM 276 CD ARG A 21 -0.336 0.654 -6.272 1.00 0.00 C ATOM 277 NE ARG A 21 0.400 0.910 -7.507 1.00 0.00 N ATOM 278 CZ ARG A 21 0.615 2.126 -7.996 1.00 0.00 C ATOM 279 NH1 ARG A 21 0.153 3.192 -7.357 1.00 0.00 N ATOM 280 NH2 ARG A 21 1.295 2.278 -9.125 1.00 0.00 N ATOM 0 H ARG A 21 -1.125 -3.232 -4.941 1.00 0.00 H new ATOM 0 HA ARG A 21 0.453 -3.074 -7.257 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.660 -1.604 -4.599 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.464 -1.115 -6.078 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.055 -1.224 -7.025 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.431 -0.939 -5.337 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.263 1.227 -6.277 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.250 1.003 -5.422 1.00 0.00 H new ATOM 0 HE ARG A 21 0.769 0.111 -8.022 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.369 3.079 -6.488 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.319 4.125 -7.735 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.653 1.460 -9.619 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.459 3.212 -9.499 1.00 0.00 H new ATOM 294 N VAL A 22 2.019 -4.125 -4.548 1.00 0.00 N ATOM 295 CA VAL A 22 3.230 -4.786 -4.076 1.00 0.00 C ATOM 296 C VAL A 22 3.427 -6.131 -4.767 1.00 0.00 C ATOM 297 O VAL A 22 4.469 -6.383 -5.374 1.00 0.00 O ATOM 298 CB VAL A 22 3.192 -5.006 -2.552 1.00 0.00 C ATOM 299 CG1 VAL A 22 4.443 -5.735 -2.086 1.00 0.00 C ATOM 300 CG2 VAL A 22 3.036 -3.678 -1.826 1.00 0.00 C ATOM 0 H VAL A 22 1.306 -3.988 -3.831 1.00 0.00 H new ATOM 0 HA VAL A 22 4.065 -4.129 -4.320 1.00 0.00 H new ATOM 0 HB VAL A 22 2.329 -5.628 -2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.398 -5.881 -1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.505 -6.704 -2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.323 -5.143 -2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.011 -3.852 -0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.878 -3.029 -2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.107 -3.200 -2.138 1.00 0.00 H new ATOM 310 N LEU A 23 2.419 -6.991 -4.673 1.00 0.00 N ATOM 311 CA LEU A 23 2.480 -8.311 -5.291 1.00 0.00 C ATOM 312 C LEU A 23 2.706 -8.199 -6.795 1.00 0.00 C ATOM 313 O LEU A 23 3.193 -9.132 -7.432 1.00 0.00 O ATOM 314 CB LEU A 23 1.191 -9.086 -5.013 1.00 0.00 C ATOM 315 CG LEU A 23 1.173 -9.923 -3.734 1.00 0.00 C ATOM 316 CD1 LEU A 23 -0.087 -10.772 -3.668 1.00 0.00 C ATOM 317 CD2 LEU A 23 2.414 -10.800 -3.653 1.00 0.00 C ATOM 0 H LEU A 23 1.550 -6.798 -4.175 1.00 0.00 H new ATOM 0 HA LEU A 23 3.322 -8.850 -4.856 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.366 -8.375 -4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.999 -9.747 -5.858 1.00 0.00 H new ATOM 0 HG LEU A 23 1.174 -9.246 -2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.081 -11.361 -2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.963 -10.124 -3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.121 -11.441 -4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.384 -11.389 -2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.444 -11.469 -4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.304 -10.171 -3.652 1.00 0.00 H new ATOM 329 N GLY A 24 2.350 -7.048 -7.358 1.00 0.00 N ATOM 330 CA GLY A 24 2.523 -6.834 -8.782 1.00 0.00 C ATOM 331 C GLY A 24 1.395 -7.432 -9.600 1.00 0.00 C ATOM 332 O GLY A 24 1.635 -8.150 -10.570 1.00 0.00 O ATOM 0 H GLY A 24 1.945 -6.260 -6.853 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.584 -5.764 -8.981 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.469 -7.272 -9.100 1.00 0.00 H new ATOM 336 N VAL A 25 0.160 -7.137 -9.207 1.00 0.00 N ATOM 337 CA VAL A 25 -1.009 -7.651 -9.909 1.00 0.00 C ATOM 338 C VAL A 25 -2.074 -6.571 -10.067 1.00 0.00 C ATOM 339 O VAL A 25 -2.007 -5.520 -9.430 1.00 0.00 O ATOM 340 CB VAL A 25 -1.622 -8.857 -9.173 1.00 0.00 C ATOM 341 CG1 VAL A 25 -0.831 -10.122 -9.470 1.00 0.00 C ATOM 342 CG2 VAL A 25 -1.678 -8.594 -7.675 1.00 0.00 C ATOM 0 H VAL A 25 -0.056 -6.544 -8.406 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.670 -7.971 -10.894 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.641 -9.001 -9.533 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.279 -10.964 -8.941 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.846 -10.317 -10.542 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.200 -9.993 -9.139 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.114 -9.456 -7.170 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.670 -8.424 -7.298 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.291 -7.713 -7.483 1.00 0.00 H new ATOM 352 N SER A 26 -3.058 -6.839 -10.919 1.00 0.00 N ATOM 353 CA SER A 26 -4.137 -5.888 -11.164 1.00 0.00 C ATOM 354 C SER A 26 -5.471 -6.442 -10.669 1.00 0.00 C ATOM 355 O SER A 26 -5.545 -7.571 -10.185 1.00 0.00 O ATOM 356 CB SER A 26 -4.230 -5.561 -12.655 1.00 0.00 C ATOM 357 OG SER A 26 -4.715 -4.246 -12.860 1.00 0.00 O ATOM 0 H SER A 26 -3.131 -7.706 -11.451 1.00 0.00 H new ATOM 0 HA SER A 26 -3.915 -4.974 -10.613 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.247 -5.665 -13.115 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.890 -6.276 -13.147 1.00 0.00 H new ATOM 0 HG SER A 26 -4.763 -4.061 -13.821 1.00 0.00 H new ATOM 363 N ARG A 27 -6.521 -5.637 -10.795 1.00 0.00 N ATOM 364 CA ARG A 27 -7.852 -6.044 -10.361 1.00 0.00 C ATOM 365 C ARG A 27 -8.262 -7.356 -11.023 1.00 0.00 C ATOM 366 O ARG A 27 -9.007 -8.150 -10.447 1.00 0.00 O ATOM 367 CB ARG A 27 -8.874 -4.954 -10.687 1.00 0.00 C ATOM 368 CG ARG A 27 -8.836 -4.497 -12.136 1.00 0.00 C ATOM 369 CD ARG A 27 -10.181 -3.947 -12.582 1.00 0.00 C ATOM 370 NE ARG A 27 -10.060 -3.092 -13.760 1.00 0.00 N ATOM 371 CZ ARG A 27 -11.071 -2.818 -14.576 1.00 0.00 C ATOM 372 NH1 ARG A 27 -12.273 -3.328 -14.344 1.00 0.00 N ATOM 373 NH2 ARG A 27 -10.882 -2.031 -15.628 1.00 0.00 N ATOM 0 H ARG A 27 -6.476 -4.699 -11.194 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.825 -6.195 -9.282 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -9.873 -5.324 -10.458 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.696 -4.096 -10.039 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.070 -3.731 -12.257 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.554 -5.334 -12.775 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -10.856 -4.774 -12.802 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.629 -3.379 -11.766 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.149 -2.683 -13.967 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -12.423 -3.933 -13.537 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -13.047 -3.115 -14.973 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.959 -1.636 -15.810 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.659 -1.821 -16.254 1.00 0.00 H new ATOM 387 N THR A 28 -7.772 -7.578 -12.239 1.00 0.00 N ATOM 388 CA THR A 28 -8.089 -8.791 -12.981 1.00 0.00 C ATOM 389 C THR A 28 -7.531 -10.025 -12.282 1.00 0.00 C ATOM 390 O THR A 28 -8.016 -11.138 -12.484 1.00 0.00 O ATOM 391 CB THR A 28 -7.533 -8.734 -14.417 1.00 0.00 C ATOM 392 OG1 THR A 28 -6.107 -8.614 -14.385 1.00 0.00 O ATOM 393 CG2 THR A 28 -8.129 -7.561 -15.181 1.00 0.00 C ATOM 0 H THR A 28 -7.154 -6.933 -12.731 1.00 0.00 H new ATOM 0 HA THR A 28 -9.176 -8.860 -13.023 1.00 0.00 H new ATOM 0 HB THR A 28 -7.808 -9.657 -14.927 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.761 -8.580 -15.301 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.722 -7.541 -16.192 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.212 -7.670 -15.228 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.880 -6.630 -14.671 1.00 0.00 H new ATOM 401 N ALA A 29 -6.509 -9.821 -11.457 1.00 0.00 N ATOM 402 CA ALA A 29 -5.886 -10.917 -10.725 1.00 0.00 C ATOM 403 C ALA A 29 -6.790 -11.408 -9.599 1.00 0.00 C ATOM 404 O ALA A 29 -7.234 -10.624 -8.760 1.00 0.00 O ATOM 405 CB ALA A 29 -4.538 -10.483 -10.171 1.00 0.00 C ATOM 0 H ALA A 29 -6.095 -8.906 -11.279 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.732 -11.743 -11.419 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.084 -11.311 -9.627 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.885 -10.188 -10.992 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.677 -9.638 -9.496 1.00 0.00 H new ATOM 411 N SER A 30 -7.059 -12.709 -9.587 1.00 0.00 N ATOM 412 CA SER A 30 -7.913 -13.304 -8.566 1.00 0.00 C ATOM 413 C SER A 30 -7.086 -14.105 -7.564 1.00 0.00 C ATOM 414 O SER A 30 -5.929 -14.434 -7.823 1.00 0.00 O ATOM 415 CB SER A 30 -8.965 -14.207 -9.214 1.00 0.00 C ATOM 416 OG SER A 30 -10.036 -13.445 -9.743 1.00 0.00 O ATOM 0 H SER A 30 -6.698 -13.372 -10.273 1.00 0.00 H new ATOM 0 HA SER A 30 -8.416 -12.497 -8.033 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.505 -14.794 -10.009 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.347 -14.913 -8.476 1.00 0.00 H new ATOM 0 HG SER A 30 -10.693 -14.045 -10.153 1.00 0.00 H new ATOM 422 N GLN A 31 -7.690 -14.412 -6.421 1.00 0.00 N ATOM 423 CA GLN A 31 -7.010 -15.173 -5.380 1.00 0.00 C ATOM 424 C GLN A 31 -6.088 -16.225 -5.988 1.00 0.00 C ATOM 425 O GLN A 31 -5.016 -16.508 -5.455 1.00 0.00 O ATOM 426 CB GLN A 31 -8.031 -15.844 -4.459 1.00 0.00 C ATOM 427 CG GLN A 31 -8.491 -14.958 -3.313 1.00 0.00 C ATOM 428 CD GLN A 31 -7.500 -14.924 -2.167 1.00 0.00 C ATOM 429 OE1 GLN A 31 -7.326 -15.912 -1.452 1.00 0.00 O ATOM 430 NE2 GLN A 31 -6.844 -13.784 -1.984 1.00 0.00 N ATOM 0 H GLN A 31 -8.648 -14.146 -6.192 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.405 -14.480 -4.796 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.899 -16.142 -5.048 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.595 -16.756 -4.050 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.648 -13.945 -3.683 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.453 -15.316 -2.946 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.019 -12.990 -2.600 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.165 -13.702 -1.227 1.00 0.00 H new ATOM 439 N ALA A 32 -6.513 -16.801 -7.108 1.00 0.00 N ATOM 440 CA ALA A 32 -5.725 -17.820 -7.790 1.00 0.00 C ATOM 441 C ALA A 32 -4.418 -17.240 -8.319 1.00 0.00 C ATOM 442 O ALA A 32 -3.334 -17.711 -7.974 1.00 0.00 O ATOM 443 CB ALA A 32 -6.529 -18.438 -8.924 1.00 0.00 C ATOM 0 H ALA A 32 -7.399 -16.579 -7.562 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.480 -18.599 -7.068 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.928 -19.197 -9.424 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.432 -18.897 -8.522 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.804 -17.663 -9.640 1.00 0.00 H new ATOM 449 N ASP A 33 -4.528 -16.217 -9.160 1.00 0.00 N ATOM 450 CA ASP A 33 -3.354 -15.573 -9.737 1.00 0.00 C ATOM 451 C ASP A 33 -2.453 -15.006 -8.645 1.00 0.00 C ATOM 452 O ASP A 33 -1.227 -15.058 -8.749 1.00 0.00 O ATOM 453 CB ASP A 33 -3.777 -14.459 -10.695 1.00 0.00 C ATOM 454 CG ASP A 33 -4.231 -14.992 -12.040 1.00 0.00 C ATOM 455 OD1 ASP A 33 -3.364 -15.226 -12.908 1.00 0.00 O ATOM 456 OD2 ASP A 33 -5.453 -15.176 -12.224 1.00 0.00 O ATOM 0 H ASP A 33 -5.418 -15.816 -9.457 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.793 -16.325 -10.291 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.586 -13.884 -10.244 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.942 -13.774 -10.842 1.00 0.00 H new ATOM 461 N ILE A 34 -3.068 -14.465 -7.598 1.00 0.00 N ATOM 462 CA ILE A 34 -2.321 -13.889 -6.487 1.00 0.00 C ATOM 463 C ILE A 34 -1.363 -14.909 -5.882 1.00 0.00 C ATOM 464 O ILE A 34 -0.183 -14.623 -5.675 1.00 0.00 O ATOM 465 CB ILE A 34 -3.263 -13.369 -5.385 1.00 0.00 C ATOM 466 CG1 ILE A 34 -4.254 -12.359 -5.966 1.00 0.00 C ATOM 467 CG2 ILE A 34 -2.460 -12.742 -4.255 1.00 0.00 C ATOM 468 CD1 ILE A 34 -5.555 -12.278 -5.198 1.00 0.00 C ATOM 0 H ILE A 34 -4.082 -14.414 -7.496 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.750 -13.052 -6.890 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.826 -14.211 -4.981 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.789 -11.373 -5.981 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.468 -12.627 -7.001 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.139 -12.379 -3.484 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.790 -13.488 -3.827 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.874 -11.909 -4.644 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.209 -11.542 -5.666 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.042 -13.253 -5.204 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.352 -11.980 -4.169 1.00 0.00 H new ATOM 480 N LYS A 35 -1.877 -16.101 -5.600 1.00 0.00 N ATOM 481 CA LYS A 35 -1.067 -17.167 -5.021 1.00 0.00 C ATOM 482 C LYS A 35 0.155 -17.454 -5.888 1.00 0.00 C ATOM 483 O LYS A 35 1.289 -17.423 -5.410 1.00 0.00 O ATOM 484 CB LYS A 35 -1.901 -18.440 -4.860 1.00 0.00 C ATOM 485 CG LYS A 35 -1.136 -19.594 -4.236 1.00 0.00 C ATOM 486 CD LYS A 35 -2.032 -20.801 -4.013 1.00 0.00 C ATOM 487 CE LYS A 35 -1.217 -22.065 -3.789 1.00 0.00 C ATOM 488 NZ LYS A 35 -2.086 -23.267 -3.648 1.00 0.00 N ATOM 0 H LYS A 35 -2.852 -16.354 -5.763 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.726 -16.837 -4.040 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.772 -18.218 -4.244 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.272 -18.747 -5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.304 -19.872 -4.883 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.708 -19.276 -3.285 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.675 -20.624 -3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.685 -20.936 -4.876 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.532 -22.208 -4.624 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.607 -21.950 -2.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.493 -24.108 -3.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.723 -23.142 -2.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.649 -23.392 -4.513 1.00 0.00 H new ATOM 502 N LYS A 36 -0.083 -17.731 -7.165 1.00 0.00 N ATOM 503 CA LYS A 36 0.998 -18.021 -8.100 1.00 0.00 C ATOM 504 C LYS A 36 1.973 -16.851 -8.184 1.00 0.00 C ATOM 505 O LYS A 36 3.186 -17.035 -8.090 1.00 0.00 O ATOM 506 CB LYS A 36 0.431 -18.326 -9.488 1.00 0.00 C ATOM 507 CG LYS A 36 -0.554 -17.283 -9.986 1.00 0.00 C ATOM 508 CD LYS A 36 -1.142 -17.668 -11.333 1.00 0.00 C ATOM 509 CE LYS A 36 -0.082 -18.247 -12.258 1.00 0.00 C ATOM 510 NZ LYS A 36 -0.604 -18.457 -13.637 1.00 0.00 N ATOM 0 H LYS A 36 -1.016 -17.761 -7.577 1.00 0.00 H new ATOM 0 HA LYS A 36 1.537 -18.895 -7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.254 -18.404 -10.198 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.063 -19.297 -9.464 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.357 -17.163 -9.259 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.053 -16.319 -10.069 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.938 -18.398 -11.188 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.593 -16.792 -11.798 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.776 -17.575 -12.293 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.272 -19.196 -11.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.148 -18.853 -14.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.407 -19.118 -13.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.919 -17.548 -14.031 1.00 0.00 H new ATOM 524 N ALA A 37 1.434 -15.649 -8.359 1.00 0.00 N ATOM 525 CA ALA A 37 2.257 -14.449 -8.451 1.00 0.00 C ATOM 526 C ALA A 37 2.899 -14.119 -7.108 1.00 0.00 C ATOM 527 O ALA A 37 3.924 -13.440 -7.049 1.00 0.00 O ATOM 528 CB ALA A 37 1.424 -13.275 -8.944 1.00 0.00 C ATOM 0 H ALA A 37 0.431 -15.480 -8.440 1.00 0.00 H new ATOM 0 HA ALA A 37 3.056 -14.640 -9.168 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.051 -12.386 -9.008 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.019 -13.505 -9.929 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.605 -13.092 -8.248 1.00 0.00 H new ATOM 534 N TYR A 38 2.289 -14.603 -6.032 1.00 0.00 N ATOM 535 CA TYR A 38 2.800 -14.356 -4.688 1.00 0.00 C ATOM 536 C TYR A 38 4.049 -15.189 -4.418 1.00 0.00 C ATOM 537 O TYR A 38 5.151 -14.655 -4.290 1.00 0.00 O ATOM 538 CB TYR A 38 1.726 -14.673 -3.646 1.00 0.00 C ATOM 539 CG TYR A 38 2.288 -15.121 -2.315 1.00 0.00 C ATOM 540 CD1 TYR A 38 3.035 -14.255 -1.527 1.00 0.00 C ATOM 541 CD2 TYR A 38 2.070 -16.411 -1.846 1.00 0.00 C ATOM 542 CE1 TYR A 38 3.551 -14.660 -0.311 1.00 0.00 C ATOM 543 CE2 TYR A 38 2.581 -16.824 -0.631 1.00 0.00 C ATOM 544 CZ TYR A 38 3.321 -15.946 0.133 1.00 0.00 C ATOM 545 OH TYR A 38 3.831 -16.353 1.344 1.00 0.00 O ATOM 0 H TYR A 38 1.441 -15.168 -6.064 1.00 0.00 H new ATOM 0 HA TYR A 38 3.067 -13.302 -4.616 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.109 -13.788 -3.491 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.072 -15.453 -4.036 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.216 -13.247 -1.871 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.492 -17.102 -2.441 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.131 -13.974 0.288 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.402 -17.830 -0.281 1.00 0.00 H new ATOM 0 HH TYR A 38 3.578 -17.285 1.509 1.00 0.00 H new ATOM 555 N LYS A 39 3.868 -16.503 -4.334 1.00 0.00 N ATOM 556 CA LYS A 39 4.979 -17.414 -4.082 1.00 0.00 C ATOM 557 C LYS A 39 6.156 -17.104 -5.001 1.00 0.00 C ATOM 558 O LYS A 39 7.304 -17.049 -4.561 1.00 0.00 O ATOM 559 CB LYS A 39 4.531 -18.864 -4.279 1.00 0.00 C ATOM 560 CG LYS A 39 3.796 -19.441 -3.082 1.00 0.00 C ATOM 561 CD LYS A 39 3.208 -20.807 -3.394 1.00 0.00 C ATOM 562 CE LYS A 39 3.028 -21.638 -2.133 1.00 0.00 C ATOM 563 NZ LYS A 39 1.995 -21.059 -1.230 1.00 0.00 N ATOM 0 H LYS A 39 2.962 -16.961 -4.437 1.00 0.00 H new ATOM 0 HA LYS A 39 5.302 -17.277 -3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.883 -18.920 -5.154 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.405 -19.480 -4.490 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.481 -19.523 -2.238 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.999 -18.761 -2.781 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.246 -20.685 -3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.861 -21.335 -4.089 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.744 -22.654 -2.405 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.978 -21.704 -1.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.902 -21.654 -0.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.278 -20.098 -0.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.082 -21.019 -1.727 1.00 0.00 H new ATOM 577 N LYS A 40 5.863 -16.903 -6.282 1.00 0.00 N ATOM 578 CA LYS A 40 6.896 -16.596 -7.264 1.00 0.00 C ATOM 579 C LYS A 40 7.783 -15.452 -6.782 1.00 0.00 C ATOM 580 O LYS A 40 9.004 -15.591 -6.703 1.00 0.00 O ATOM 581 CB LYS A 40 6.259 -16.231 -8.607 1.00 0.00 C ATOM 582 CG LYS A 40 7.250 -16.184 -9.757 1.00 0.00 C ATOM 583 CD LYS A 40 7.872 -14.805 -9.901 1.00 0.00 C ATOM 584 CE LYS A 40 6.977 -13.871 -10.703 1.00 0.00 C ATOM 585 NZ LYS A 40 7.479 -12.469 -10.682 1.00 0.00 N ATOM 0 H LYS A 40 4.918 -16.947 -6.664 1.00 0.00 H new ATOM 0 HA LYS A 40 7.516 -17.483 -7.392 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.480 -16.957 -8.839 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.773 -15.259 -8.517 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.035 -16.923 -9.593 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.746 -16.455 -10.684 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.051 -14.380 -8.913 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.842 -14.891 -10.391 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.918 -14.220 -11.734 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.965 -13.901 -10.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.876 -11.894 -10.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.456 -12.455 -10.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.456 -12.078 -11.645 1.00 0.00 H new ATOM 599 N LEU A 41 7.162 -14.323 -6.460 1.00 0.00 N ATOM 600 CA LEU A 41 7.895 -13.156 -5.984 1.00 0.00 C ATOM 601 C LEU A 41 8.643 -13.472 -4.693 1.00 0.00 C ATOM 602 O LEU A 41 9.790 -13.064 -4.513 1.00 0.00 O ATOM 603 CB LEU A 41 6.937 -11.985 -5.758 1.00 0.00 C ATOM 604 CG LEU A 41 6.711 -11.062 -6.956 1.00 0.00 C ATOM 605 CD1 LEU A 41 5.458 -10.224 -6.755 1.00 0.00 C ATOM 606 CD2 LEU A 41 7.922 -10.168 -7.177 1.00 0.00 C ATOM 0 H LEU A 41 6.152 -14.191 -6.520 1.00 0.00 H new ATOM 0 HA LEU A 41 8.624 -12.880 -6.746 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.972 -12.386 -5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.316 -11.386 -4.930 1.00 0.00 H new ATOM 0 HG LEU A 41 6.573 -11.679 -7.844 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.313 -9.573 -7.617 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.595 -10.881 -6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.567 -9.617 -5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.743 -9.518 -8.034 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.092 -9.559 -6.289 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.800 -10.785 -7.367 1.00 0.00 H new ATOM 618 N ALA A 42 7.986 -14.203 -3.798 1.00 0.00 N ATOM 619 CA ALA A 42 8.591 -14.577 -2.525 1.00 0.00 C ATOM 620 C ALA A 42 9.815 -15.461 -2.738 1.00 0.00 C ATOM 621 O ALA A 42 10.796 -15.367 -2.001 1.00 0.00 O ATOM 622 CB ALA A 42 7.572 -15.287 -1.646 1.00 0.00 C ATOM 0 H ALA A 42 7.035 -14.548 -3.931 1.00 0.00 H new ATOM 0 HA ALA A 42 8.916 -13.666 -2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.037 -15.561 -0.699 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.728 -14.623 -1.458 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.220 -16.187 -2.151 1.00 0.00 H new ATOM 628 N ARG A 43 9.751 -16.319 -3.751 1.00 0.00 N ATOM 629 CA ARG A 43 10.854 -17.221 -4.059 1.00 0.00 C ATOM 630 C ARG A 43 11.980 -16.479 -4.771 1.00 0.00 C ATOM 631 O ARG A 43 13.158 -16.746 -4.536 1.00 0.00 O ATOM 632 CB ARG A 43 10.364 -18.382 -4.928 1.00 0.00 C ATOM 633 CG ARG A 43 9.425 -19.332 -4.202 1.00 0.00 C ATOM 634 CD ARG A 43 9.076 -20.535 -5.063 1.00 0.00 C ATOM 635 NE ARG A 43 10.263 -21.294 -5.451 1.00 0.00 N ATOM 636 CZ ARG A 43 11.015 -20.993 -6.503 1.00 0.00 C ATOM 637 NH1 ARG A 43 10.706 -19.956 -7.269 1.00 0.00 N ATOM 638 NH2 ARG A 43 12.080 -21.731 -6.792 1.00 0.00 N ATOM 0 H ARG A 43 8.947 -16.408 -4.372 1.00 0.00 H new ATOM 0 HA ARG A 43 11.240 -17.617 -3.120 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.855 -17.980 -5.804 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.226 -18.943 -5.290 1.00 0.00 H new ATOM 0 HG2 ARG A 43 9.891 -19.669 -3.276 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.513 -18.803 -3.926 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.392 -21.185 -4.517 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.551 -20.200 -5.958 1.00 0.00 H new ATOM 0 HE ARG A 43 10.528 -22.099 -4.883 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.888 -19.387 -7.051 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.286 -19.728 -8.076 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.321 -22.530 -6.206 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.657 -21.499 -7.600 1.00 0.00 H new ATOM 652 N GLU A 44 11.609 -15.546 -5.643 1.00 0.00 N ATOM 653 CA GLU A 44 12.589 -14.766 -6.390 1.00 0.00 C ATOM 654 C GLU A 44 13.317 -13.786 -5.474 1.00 0.00 C ATOM 655 O GLU A 44 14.543 -13.810 -5.371 1.00 0.00 O ATOM 656 CB GLU A 44 11.907 -14.007 -7.530 1.00 0.00 C ATOM 657 CG GLU A 44 11.827 -14.797 -8.825 1.00 0.00 C ATOM 658 CD GLU A 44 11.164 -14.017 -9.944 1.00 0.00 C ATOM 659 OE1 GLU A 44 10.167 -13.318 -9.669 1.00 0.00 O ATOM 660 OE2 GLU A 44 11.642 -14.106 -11.094 1.00 0.00 O ATOM 0 H GLU A 44 10.638 -15.312 -5.849 1.00 0.00 H new ATOM 0 HA GLU A 44 13.321 -15.456 -6.810 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.899 -13.731 -7.220 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.449 -13.079 -7.713 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.832 -15.085 -9.134 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.271 -15.718 -8.651 1.00 0.00 H new ATOM 667 N TRP A 45 12.552 -12.925 -4.813 1.00 0.00 N ATOM 668 CA TRP A 45 13.123 -11.935 -3.906 1.00 0.00 C ATOM 669 C TRP A 45 13.375 -12.539 -2.529 1.00 0.00 C ATOM 670 O TRP A 45 13.632 -11.821 -1.563 1.00 0.00 O ATOM 671 CB TRP A 45 12.192 -10.727 -3.785 1.00 0.00 C ATOM 672 CG TRP A 45 11.995 -9.997 -5.078 1.00 0.00 C ATOM 673 CD1 TRP A 45 11.151 -10.343 -6.094 1.00 0.00 C ATOM 674 CD2 TRP A 45 12.656 -8.797 -5.494 1.00 0.00 C ATOM 675 NE1 TRP A 45 11.248 -9.431 -7.117 1.00 0.00 N ATOM 676 CE2 TRP A 45 12.164 -8.472 -6.773 1.00 0.00 C ATOM 677 CE3 TRP A 45 13.615 -7.965 -4.910 1.00 0.00 C ATOM 678 CZ2 TRP A 45 12.600 -7.352 -7.476 1.00 0.00 C ATOM 679 CZ3 TRP A 45 14.047 -6.853 -5.609 1.00 0.00 C ATOM 680 CH2 TRP A 45 13.539 -6.554 -6.880 1.00 0.00 C ATOM 0 H TRP A 45 11.535 -12.892 -4.888 1.00 0.00 H new ATOM 0 HA TRP A 45 14.078 -11.609 -4.319 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.223 -11.060 -3.413 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.598 -10.037 -3.045 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.502 -11.207 -6.094 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.723 -9.463 -7.991 1.00 0.00 H new ATOM 0 HE3 TRP A 45 14.012 -8.187 -3.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 12.211 -7.121 -8.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 14.789 -6.204 -5.168 1.00 0.00 H new ATOM 0 HH2 TRP A 45 13.895 -5.677 -7.400 1.00 0.00 H new ATOM 691 N HIS A 46 13.300 -13.864 -2.446 1.00 0.00 N ATOM 692 CA HIS A 46 13.521 -14.565 -1.186 1.00 0.00 C ATOM 693 C HIS A 46 14.869 -14.185 -0.583 1.00 0.00 C ATOM 694 O HIS A 46 15.872 -14.044 -1.282 1.00 0.00 O ATOM 695 CB HIS A 46 13.453 -16.077 -1.401 1.00 0.00 C ATOM 696 CG HIS A 46 12.961 -16.830 -0.203 1.00 0.00 C ATOM 697 ND1 HIS A 46 13.804 -17.476 0.678 1.00 0.00 N ATOM 698 CD2 HIS A 46 11.706 -17.038 0.258 1.00 0.00 C ATOM 699 CE1 HIS A 46 13.087 -18.049 1.628 1.00 0.00 C ATOM 700 NE2 HIS A 46 11.811 -17.798 1.397 1.00 0.00 N ATOM 0 H HIS A 46 13.088 -14.473 -3.236 1.00 0.00 H new ATOM 0 HA HIS A 46 12.735 -14.269 -0.491 1.00 0.00 H new ATOM 0 HB2 HIS A 46 12.797 -16.287 -2.246 1.00 0.00 H new ATOM 0 HB3 HIS A 46 14.444 -16.443 -1.668 1.00 0.00 H new ATOM 0 HD2 HIS A 46 10.792 -16.674 -0.187 1.00 0.00 H new ATOM 0 HE1 HIS A 46 13.478 -18.625 2.454 1.00 0.00 H new ATOM 0 HE2 HIS A 46 11.031 -18.117 1.971 1.00 0.00 H new ATOM 708 N PRO A 47 14.896 -14.014 0.748 1.00 0.00 N ATOM 709 CA PRO A 47 16.115 -13.648 1.474 1.00 0.00 C ATOM 710 C PRO A 47 17.136 -14.780 1.501 1.00 0.00 C ATOM 711 O PRO A 47 18.333 -14.554 1.319 1.00 0.00 O ATOM 712 CB PRO A 47 15.609 -13.351 2.888 1.00 0.00 C ATOM 713 CG PRO A 47 14.354 -14.143 3.016 1.00 0.00 C ATOM 714 CD PRO A 47 13.738 -14.166 1.644 1.00 0.00 C ATOM 0 HA PRO A 47 16.632 -12.810 1.006 1.00 0.00 H new ATOM 0 HB2 PRO A 47 16.341 -13.645 3.640 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.421 -12.286 3.026 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.564 -15.153 3.367 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.678 -13.689 3.740 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.206 -15.099 1.458 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.019 -13.357 1.513 1.00 0.00 H new ATOM 722 N ASP A 48 16.657 -15.998 1.727 1.00 0.00 N ATOM 723 CA ASP A 48 17.528 -17.166 1.776 1.00 0.00 C ATOM 724 C ASP A 48 18.329 -17.301 0.485 1.00 0.00 C ATOM 725 O ASP A 48 19.458 -17.791 0.490 1.00 0.00 O ATOM 726 CB ASP A 48 16.706 -18.433 2.015 1.00 0.00 C ATOM 727 CG ASP A 48 16.391 -18.651 3.482 1.00 0.00 C ATOM 728 OD1 ASP A 48 15.798 -17.743 4.102 1.00 0.00 O ATOM 729 OD2 ASP A 48 16.737 -19.728 4.010 1.00 0.00 O ATOM 0 H ASP A 48 15.669 -16.202 1.879 1.00 0.00 H new ATOM 0 HA ASP A 48 18.225 -17.033 2.603 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.775 -18.370 1.452 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.252 -19.295 1.632 1.00 0.00 H new ATOM 734 N LYS A 49 17.736 -16.863 -0.621 1.00 0.00 N ATOM 735 CA LYS A 49 18.393 -16.934 -1.921 1.00 0.00 C ATOM 736 C LYS A 49 19.142 -15.640 -2.224 1.00 0.00 C ATOM 737 O LYS A 49 20.156 -15.647 -2.920 1.00 0.00 O ATOM 738 CB LYS A 49 17.365 -17.209 -3.021 1.00 0.00 C ATOM 739 CG LYS A 49 17.972 -17.307 -4.410 1.00 0.00 C ATOM 740 CD LYS A 49 16.983 -17.881 -5.411 1.00 0.00 C ATOM 741 CE LYS A 49 16.028 -16.815 -5.925 1.00 0.00 C ATOM 742 NZ LYS A 49 16.745 -15.733 -6.654 1.00 0.00 N ATOM 0 H LYS A 49 16.801 -16.455 -0.643 1.00 0.00 H new ATOM 0 HA LYS A 49 19.113 -17.752 -1.891 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.844 -18.139 -2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 49 16.618 -16.415 -3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 49 18.292 -16.318 -4.739 1.00 0.00 H new ATOM 0 HG3 LYS A 49 18.862 -17.935 -4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.525 -18.320 -6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 49 16.415 -18.685 -4.943 1.00 0.00 H new ATOM 0 HE2 LYS A 49 15.294 -17.274 -6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 49 15.478 -16.386 -5.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 16.306 -15.592 -7.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 16.688 -14.850 -6.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 17.742 -16.000 -6.778 1.00 0.00 H new ATOM 756 N ASN A 50 18.636 -14.531 -1.694 1.00 0.00 N ATOM 757 CA ASN A 50 19.258 -13.229 -1.907 1.00 0.00 C ATOM 758 C ASN A 50 20.371 -12.985 -0.892 1.00 0.00 C ATOM 759 O ASN A 50 20.158 -13.088 0.317 1.00 0.00 O ATOM 760 CB ASN A 50 18.211 -12.118 -1.808 1.00 0.00 C ATOM 761 CG ASN A 50 17.459 -11.915 -3.110 1.00 0.00 C ATOM 762 OD1 ASN A 50 17.884 -12.386 -4.165 1.00 0.00 O ATOM 763 ND2 ASN A 50 16.335 -11.212 -3.040 1.00 0.00 N ATOM 0 H ASN A 50 17.797 -14.508 -1.114 1.00 0.00 H new ATOM 0 HA ASN A 50 19.693 -13.222 -2.906 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.502 -12.360 -1.016 1.00 0.00 H new ATOM 0 HB3 ASN A 50 18.700 -11.186 -1.525 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.786 -11.043 -3.883 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.021 -10.841 -2.144 1.00 0.00 H new ATOM 770 N LYS A 51 21.559 -12.661 -1.391 1.00 0.00 N ATOM 771 CA LYS A 51 22.706 -12.401 -0.530 1.00 0.00 C ATOM 772 C LYS A 51 22.903 -10.902 -0.325 1.00 0.00 C ATOM 773 O LYS A 51 23.350 -10.465 0.736 1.00 0.00 O ATOM 774 CB LYS A 51 23.972 -13.015 -1.132 1.00 0.00 C ATOM 775 CG LYS A 51 24.202 -14.459 -0.722 1.00 0.00 C ATOM 776 CD LYS A 51 23.320 -15.410 -1.512 1.00 0.00 C ATOM 777 CE LYS A 51 23.621 -16.862 -1.171 1.00 0.00 C ATOM 778 NZ LYS A 51 22.459 -17.750 -1.452 1.00 0.00 N ATOM 0 H LYS A 51 21.752 -12.572 -2.389 1.00 0.00 H new ATOM 0 HA LYS A 51 22.513 -12.861 0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 51 23.911 -12.960 -2.219 1.00 0.00 H new ATOM 0 HB3 LYS A 51 24.833 -12.419 -0.831 1.00 0.00 H new ATOM 0 HG2 LYS A 51 25.249 -14.720 -0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 51 23.999 -14.573 0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 51 22.272 -15.195 -1.302 1.00 0.00 H new ATOM 0 HD3 LYS A 51 23.471 -15.247 -2.579 1.00 0.00 H new ATOM 0 HE2 LYS A 51 24.483 -17.199 -1.747 1.00 0.00 H new ATOM 0 HE3 LYS A 51 23.891 -16.939 -0.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 22.704 -18.730 -1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 21.643 -17.444 -0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 22.217 -17.696 -2.462 1.00 0.00 H new ATOM 792 N ASP A 52 22.565 -10.121 -1.345 1.00 0.00 N ATOM 793 CA ASP A 52 22.703 -8.671 -1.275 1.00 0.00 C ATOM 794 C ASP A 52 21.958 -8.112 -0.067 1.00 0.00 C ATOM 795 O ASP A 52 20.854 -8.543 0.267 1.00 0.00 O ATOM 796 CB ASP A 52 22.177 -8.025 -2.558 1.00 0.00 C ATOM 797 CG ASP A 52 23.116 -8.220 -3.731 1.00 0.00 C ATOM 798 OD1 ASP A 52 23.577 -9.362 -3.938 1.00 0.00 O ATOM 799 OD2 ASP A 52 23.392 -7.231 -4.443 1.00 0.00 O ATOM 0 H ASP A 52 22.194 -10.467 -2.230 1.00 0.00 H new ATOM 0 HA ASP A 52 23.762 -8.436 -1.167 1.00 0.00 H new ATOM 0 HB2 ASP A 52 21.203 -8.449 -2.802 1.00 0.00 H new ATOM 0 HB3 ASP A 52 22.027 -6.959 -2.389 1.00 0.00 H new ATOM 804 N PRO A 53 22.574 -7.129 0.607 1.00 0.00 N ATOM 805 CA PRO A 53 21.988 -6.491 1.789 1.00 0.00 C ATOM 806 C PRO A 53 20.779 -5.627 1.442 1.00 0.00 C ATOM 807 O PRO A 53 20.899 -4.633 0.728 1.00 0.00 O ATOM 808 CB PRO A 53 23.128 -5.622 2.326 1.00 0.00 C ATOM 809 CG PRO A 53 23.984 -5.344 1.138 1.00 0.00 C ATOM 810 CD PRO A 53 23.891 -6.566 0.266 1.00 0.00 C ATOM 0 HA PRO A 53 21.618 -7.224 2.506 1.00 0.00 H new ATOM 0 HB2 PRO A 53 22.749 -4.699 2.766 1.00 0.00 H new ATOM 0 HB3 PRO A 53 23.688 -6.140 3.105 1.00 0.00 H new ATOM 0 HG2 PRO A 53 23.638 -4.458 0.606 1.00 0.00 H new ATOM 0 HG3 PRO A 53 25.015 -5.154 1.436 1.00 0.00 H new ATOM 0 HD2 PRO A 53 23.957 -6.311 -0.792 1.00 0.00 H new ATOM 0 HD3 PRO A 53 24.696 -7.271 0.475 1.00 0.00 H new ATOM 818 N GLY A 54 19.615 -6.015 1.953 1.00 0.00 N ATOM 819 CA GLY A 54 18.401 -5.265 1.686 1.00 0.00 C ATOM 820 C GLY A 54 17.349 -6.097 0.980 1.00 0.00 C ATOM 821 O GLY A 54 16.159 -5.981 1.270 1.00 0.00 O ATOM 0 H GLY A 54 19.491 -6.835 2.547 1.00 0.00 H new ATOM 0 HA2 GLY A 54 17.994 -4.892 2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 54 18.642 -4.395 1.075 1.00 0.00 H new ATOM 825 N ALA A 55 17.788 -6.937 0.048 1.00 0.00 N ATOM 826 CA ALA A 55 16.875 -7.791 -0.701 1.00 0.00 C ATOM 827 C ALA A 55 15.739 -8.291 0.184 1.00 0.00 C ATOM 828 O ALA A 55 14.578 -8.292 -0.223 1.00 0.00 O ATOM 829 CB ALA A 55 17.630 -8.966 -1.308 1.00 0.00 C ATOM 0 H ALA A 55 18.770 -7.044 -0.206 1.00 0.00 H new ATOM 0 HA ALA A 55 16.439 -7.198 -1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 55 16.936 -9.596 -1.865 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.402 -8.594 -1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 55 18.093 -9.551 -0.513 1.00 0.00 H new ATOM 835 N GLU A 56 16.082 -8.715 1.397 1.00 0.00 N ATOM 836 CA GLU A 56 15.089 -9.218 2.339 1.00 0.00 C ATOM 837 C GLU A 56 13.927 -8.239 2.479 1.00 0.00 C ATOM 838 O GLU A 56 12.762 -8.636 2.467 1.00 0.00 O ATOM 839 CB GLU A 56 15.730 -9.466 3.706 1.00 0.00 C ATOM 840 CG GLU A 56 14.831 -10.217 4.673 1.00 0.00 C ATOM 841 CD GLU A 56 15.603 -10.866 5.804 1.00 0.00 C ATOM 842 OE1 GLU A 56 16.425 -10.172 6.438 1.00 0.00 O ATOM 843 OE2 GLU A 56 15.386 -12.070 6.056 1.00 0.00 O ATOM 0 H GLU A 56 17.039 -8.720 1.750 1.00 0.00 H new ATOM 0 HA GLU A 56 14.702 -10.160 1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.652 -10.030 3.568 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.005 -8.508 4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.096 -9.528 5.089 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.278 -10.983 4.129 1.00 0.00 H new ATOM 850 N ASP A 57 14.254 -6.958 2.613 1.00 0.00 N ATOM 851 CA ASP A 57 13.238 -5.921 2.756 1.00 0.00 C ATOM 852 C ASP A 57 12.083 -6.155 1.788 1.00 0.00 C ATOM 853 O ASP A 57 10.924 -6.227 2.195 1.00 0.00 O ATOM 854 CB ASP A 57 13.851 -4.541 2.515 1.00 0.00 C ATOM 855 CG ASP A 57 14.742 -4.095 3.658 1.00 0.00 C ATOM 856 OD1 ASP A 57 15.346 -4.968 4.315 1.00 0.00 O ATOM 857 OD2 ASP A 57 14.836 -2.873 3.894 1.00 0.00 O ATOM 0 H ASP A 57 15.214 -6.613 2.626 1.00 0.00 H new ATOM 0 HA ASP A 57 12.849 -5.965 3.773 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.431 -4.561 1.592 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.053 -3.812 2.374 1.00 0.00 H new ATOM 862 N ARG A 58 12.408 -6.272 0.504 1.00 0.00 N ATOM 863 CA ARG A 58 11.397 -6.495 -0.522 1.00 0.00 C ATOM 864 C ARG A 58 10.541 -7.713 -0.187 1.00 0.00 C ATOM 865 O ARG A 58 9.312 -7.651 -0.226 1.00 0.00 O ATOM 866 CB ARG A 58 12.060 -6.685 -1.888 1.00 0.00 C ATOM 867 CG ARG A 58 11.130 -6.412 -3.059 1.00 0.00 C ATOM 868 CD ARG A 58 10.817 -4.930 -3.188 1.00 0.00 C ATOM 869 NE ARG A 58 11.973 -4.164 -3.648 1.00 0.00 N ATOM 870 CZ ARG A 58 12.874 -3.631 -2.831 1.00 0.00 C ATOM 871 NH1 ARG A 58 12.754 -3.780 -1.519 1.00 0.00 N ATOM 872 NH2 ARG A 58 13.899 -2.948 -3.326 1.00 0.00 N ATOM 0 H ARG A 58 13.363 -6.216 0.150 1.00 0.00 H new ATOM 0 HA ARG A 58 10.751 -5.617 -0.557 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.923 -6.023 -1.959 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.434 -7.706 -1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.589 -6.770 -3.981 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.203 -6.971 -2.927 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.991 -4.793 -3.886 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.487 -4.544 -2.224 1.00 0.00 H new ATOM 0 HE ARG A 58 12.095 -4.031 -4.652 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.968 -4.305 -1.135 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.447 -3.370 -0.894 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.995 -2.832 -4.335 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.590 -2.539 -2.698 1.00 0.00 H new ATOM 886 N PHE A 59 11.199 -8.820 0.143 1.00 0.00 N ATOM 887 CA PHE A 59 10.499 -10.053 0.484 1.00 0.00 C ATOM 888 C PHE A 59 9.485 -9.812 1.599 1.00 0.00 C ATOM 889 O PHE A 59 8.366 -10.323 1.556 1.00 0.00 O ATOM 890 CB PHE A 59 11.498 -11.130 0.910 1.00 0.00 C ATOM 891 CG PHE A 59 10.854 -12.316 1.570 1.00 0.00 C ATOM 892 CD1 PHE A 59 10.198 -13.274 0.815 1.00 0.00 C ATOM 893 CD2 PHE A 59 10.906 -12.473 2.946 1.00 0.00 C ATOM 894 CE1 PHE A 59 9.605 -14.367 1.419 1.00 0.00 C ATOM 895 CE2 PHE A 59 10.316 -13.563 3.556 1.00 0.00 C ATOM 896 CZ PHE A 59 9.663 -14.511 2.792 1.00 0.00 C ATOM 0 H PHE A 59 12.216 -8.888 0.181 1.00 0.00 H new ATOM 0 HA PHE A 59 9.963 -10.395 -0.402 1.00 0.00 H new ATOM 0 HB2 PHE A 59 12.052 -11.468 0.034 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.223 -10.691 1.596 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.149 -13.166 -0.258 1.00 0.00 H new ATOM 0 HD2 PHE A 59 11.414 -11.734 3.549 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.097 -15.107 0.819 1.00 0.00 H new ATOM 0 HE2 PHE A 59 10.365 -13.674 4.629 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.199 -15.363 3.267 1.00 0.00 H new ATOM 906 N ILE A 60 9.887 -9.031 2.596 1.00 0.00 N ATOM 907 CA ILE A 60 9.015 -8.722 3.722 1.00 0.00 C ATOM 908 C ILE A 60 7.728 -8.052 3.253 1.00 0.00 C ATOM 909 O ILE A 60 6.640 -8.373 3.731 1.00 0.00 O ATOM 910 CB ILE A 60 9.715 -7.805 4.742 1.00 0.00 C ATOM 911 CG1 ILE A 60 11.018 -8.445 5.226 1.00 0.00 C ATOM 912 CG2 ILE A 60 8.793 -7.517 5.917 1.00 0.00 C ATOM 913 CD1 ILE A 60 11.998 -7.453 5.813 1.00 0.00 C ATOM 0 H ILE A 60 10.811 -8.601 2.647 1.00 0.00 H new ATOM 0 HA ILE A 60 8.774 -9.670 4.203 1.00 0.00 H new ATOM 0 HB ILE A 60 9.955 -6.861 4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.785 -9.201 5.976 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.492 -8.961 4.391 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.303 -6.868 6.629 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.890 -7.024 5.558 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.525 -8.453 6.407 1.00 0.00 H new ATOM 0 HD11 ILE A 60 12.898 -7.977 6.135 1.00 0.00 H new ATOM 0 HD12 ILE A 60 12.260 -6.711 5.059 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.543 -6.955 6.669 1.00 0.00 H new ATOM 925 N GLN A 61 7.860 -7.121 2.314 1.00 0.00 N ATOM 926 CA GLN A 61 6.707 -6.407 1.779 1.00 0.00 C ATOM 927 C GLN A 61 5.828 -7.336 0.948 1.00 0.00 C ATOM 928 O GLN A 61 4.620 -7.424 1.169 1.00 0.00 O ATOM 929 CB GLN A 61 7.165 -5.221 0.927 1.00 0.00 C ATOM 930 CG GLN A 61 7.370 -3.943 1.724 1.00 0.00 C ATOM 931 CD GLN A 61 7.296 -2.699 0.861 1.00 0.00 C ATOM 932 OE1 GLN A 61 8.320 -2.150 0.454 1.00 0.00 O ATOM 933 NE2 GLN A 61 6.080 -2.248 0.576 1.00 0.00 N ATOM 0 H GLN A 61 8.754 -6.844 1.908 1.00 0.00 H new ATOM 0 HA GLN A 61 6.119 -6.037 2.619 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.098 -5.482 0.428 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.426 -5.038 0.147 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.614 -3.883 2.507 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.340 -3.980 2.219 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.259 -2.735 0.935 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.967 -1.415 -0.002 1.00 0.00 H new ATOM 942 N ILE A 62 6.442 -8.026 -0.007 1.00 0.00 N ATOM 943 CA ILE A 62 5.715 -8.949 -0.870 1.00 0.00 C ATOM 944 C ILE A 62 4.866 -9.914 -0.050 1.00 0.00 C ATOM 945 O ILE A 62 3.692 -10.133 -0.350 1.00 0.00 O ATOM 946 CB ILE A 62 6.674 -9.757 -1.764 1.00 0.00 C ATOM 947 CG1 ILE A 62 7.485 -8.818 -2.659 1.00 0.00 C ATOM 948 CG2 ILE A 62 5.897 -10.759 -2.604 1.00 0.00 C ATOM 949 CD1 ILE A 62 8.811 -9.399 -3.099 1.00 0.00 C ATOM 0 H ILE A 62 7.441 -7.963 -0.203 1.00 0.00 H new ATOM 0 HA ILE A 62 5.065 -8.345 -1.503 1.00 0.00 H new ATOM 0 HB ILE A 62 7.366 -10.307 -1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.895 -8.571 -3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.665 -7.885 -2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.589 -11.322 -3.230 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.360 -11.445 -1.948 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.184 -10.229 -3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.332 -8.679 -3.730 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.420 -9.621 -2.223 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.638 -10.316 -3.662 1.00 0.00 H new ATOM 961 N SER A 63 5.467 -10.489 0.986 1.00 0.00 N ATOM 962 CA SER A 63 4.767 -11.433 1.849 1.00 0.00 C ATOM 963 C SER A 63 3.603 -10.755 2.565 1.00 0.00 C ATOM 964 O SER A 63 2.490 -11.280 2.602 1.00 0.00 O ATOM 965 CB SER A 63 5.732 -12.033 2.874 1.00 0.00 C ATOM 966 OG SER A 63 5.334 -13.342 3.244 1.00 0.00 O ATOM 0 H SER A 63 6.438 -10.318 1.248 1.00 0.00 H new ATOM 0 HA SER A 63 4.370 -12.233 1.224 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.739 -12.060 2.458 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.769 -11.397 3.759 1.00 0.00 H new ATOM 0 HG SER A 63 5.968 -13.704 3.898 1.00 0.00 H new ATOM 972 N LYS A 64 3.869 -9.584 3.134 1.00 0.00 N ATOM 973 CA LYS A 64 2.845 -8.830 3.849 1.00 0.00 C ATOM 974 C LYS A 64 1.663 -8.518 2.937 1.00 0.00 C ATOM 975 O LYS A 64 0.511 -8.549 3.367 1.00 0.00 O ATOM 976 CB LYS A 64 3.433 -7.531 4.403 1.00 0.00 C ATOM 977 CG LYS A 64 4.258 -7.725 5.663 1.00 0.00 C ATOM 978 CD LYS A 64 3.381 -8.061 6.857 1.00 0.00 C ATOM 979 CE LYS A 64 4.197 -8.167 8.137 1.00 0.00 C ATOM 980 NZ LYS A 64 3.427 -8.816 9.234 1.00 0.00 N ATOM 0 H LYS A 64 4.785 -9.136 3.114 1.00 0.00 H new ATOM 0 HA LYS A 64 2.490 -9.443 4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.057 -7.069 3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.621 -6.836 4.614 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.982 -8.525 5.506 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.825 -6.818 5.871 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.616 -7.294 6.975 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.863 -9.003 6.676 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.104 -8.739 7.943 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.509 -7.171 8.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.018 -8.869 10.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.574 -8.257 9.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.151 -9.776 8.944 1.00 0.00 H new ATOM 994 N ALA A 65 1.957 -8.219 1.676 1.00 0.00 N ATOM 995 CA ALA A 65 0.918 -7.905 0.703 1.00 0.00 C ATOM 996 C ALA A 65 -0.049 -9.073 0.536 1.00 0.00 C ATOM 997 O ALA A 65 -1.266 -8.889 0.541 1.00 0.00 O ATOM 998 CB ALA A 65 1.542 -7.538 -0.635 1.00 0.00 C ATOM 0 H ALA A 65 2.906 -8.188 1.304 1.00 0.00 H new ATOM 0 HA ALA A 65 0.353 -7.050 1.074 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.755 -7.306 -1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.187 -6.668 -0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.133 -8.377 -1.003 1.00 0.00 H new ATOM 1004 N TYR A 66 0.501 -10.273 0.387 1.00 0.00 N ATOM 1005 CA TYR A 66 -0.313 -11.470 0.215 1.00 0.00 C ATOM 1006 C TYR A 66 -1.037 -11.828 1.509 1.00 0.00 C ATOM 1007 O TYR A 66 -2.216 -12.179 1.497 1.00 0.00 O ATOM 1008 CB TYR A 66 0.558 -12.644 -0.236 1.00 0.00 C ATOM 1009 CG TYR A 66 -0.236 -13.858 -0.664 1.00 0.00 C ATOM 1010 CD1 TYR A 66 -1.326 -13.734 -1.517 1.00 0.00 C ATOM 1011 CD2 TYR A 66 0.103 -15.128 -0.215 1.00 0.00 C ATOM 1012 CE1 TYR A 66 -2.054 -14.840 -1.910 1.00 0.00 C ATOM 1013 CE2 TYR A 66 -0.619 -16.239 -0.604 1.00 0.00 C ATOM 1014 CZ TYR A 66 -1.697 -16.090 -1.451 1.00 0.00 C ATOM 1015 OH TYR A 66 -2.419 -17.195 -1.840 1.00 0.00 O ATOM 0 H TYR A 66 1.507 -10.442 0.382 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.059 -11.263 -0.552 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.187 -12.321 -1.065 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.225 -12.925 0.579 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.609 -12.756 -1.879 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.946 -15.249 0.450 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.899 -14.726 -2.573 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.341 -17.220 -0.247 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.036 -17.998 -1.429 1.00 0.00 H new ATOM 1025 N GLU A 67 -0.321 -11.734 2.625 1.00 0.00 N ATOM 1026 CA GLU A 67 -0.894 -12.047 3.929 1.00 0.00 C ATOM 1027 C GLU A 67 -2.309 -11.489 4.049 1.00 0.00 C ATOM 1028 O GLU A 67 -3.183 -12.108 4.657 1.00 0.00 O ATOM 1029 CB GLU A 67 -0.015 -11.483 5.047 1.00 0.00 C ATOM 1030 CG GLU A 67 1.175 -12.364 5.388 1.00 0.00 C ATOM 1031 CD GLU A 67 0.766 -13.765 5.798 1.00 0.00 C ATOM 1032 OE1 GLU A 67 0.178 -13.916 6.890 1.00 0.00 O ATOM 1033 OE2 GLU A 67 1.033 -14.710 5.027 1.00 0.00 O ATOM 0 H GLU A 67 0.656 -11.444 2.652 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.940 -13.132 4.026 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.346 -10.498 4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.623 -11.345 5.941 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.839 -12.421 4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.743 -11.904 6.197 1.00 0.00 H new ATOM 1040 N ILE A 68 -2.527 -10.315 3.466 1.00 0.00 N ATOM 1041 CA ILE A 68 -3.835 -9.673 3.507 1.00 0.00 C ATOM 1042 C ILE A 68 -4.824 -10.382 2.588 1.00 0.00 C ATOM 1043 O ILE A 68 -5.911 -10.776 3.013 1.00 0.00 O ATOM 1044 CB ILE A 68 -3.747 -8.190 3.102 1.00 0.00 C ATOM 1045 CG1 ILE A 68 -2.893 -7.414 4.107 1.00 0.00 C ATOM 1046 CG2 ILE A 68 -5.140 -7.584 3.004 1.00 0.00 C ATOM 1047 CD1 ILE A 68 -2.316 -6.132 3.547 1.00 0.00 C ATOM 0 H ILE A 68 -1.815 -9.789 2.960 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.187 -9.739 4.536 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.273 -8.124 2.123 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.500 -7.178 4.981 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.077 -8.052 4.447 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.061 -6.535 2.717 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.719 -8.123 2.254 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.638 -7.659 3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.722 -5.635 4.314 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.683 -6.362 2.690 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.127 -5.475 3.233 1.00 0.00 H new ATOM 1059 N LEU A 69 -4.441 -10.542 1.326 1.00 0.00 N ATOM 1060 CA LEU A 69 -5.293 -11.205 0.346 1.00 0.00 C ATOM 1061 C LEU A 69 -5.470 -12.681 0.688 1.00 0.00 C ATOM 1062 O LEU A 69 -6.584 -13.143 0.933 1.00 0.00 O ATOM 1063 CB LEU A 69 -4.698 -11.062 -1.056 1.00 0.00 C ATOM 1064 CG LEU A 69 -4.569 -9.635 -1.588 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -3.411 -9.534 -2.569 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -5.867 -9.191 -2.246 1.00 0.00 C ATOM 0 H LEU A 69 -3.546 -10.221 0.958 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.272 -10.726 0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.709 -11.520 -1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.314 -11.633 -1.750 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.366 -8.972 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.334 -8.511 -2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.484 -9.809 -2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.584 -10.209 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.756 -8.173 -2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.101 -9.858 -3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.675 -9.224 -1.515 1.00 0.00 H new ATOM 1078 N SER A 70 -4.362 -13.416 0.705 1.00 0.00 N ATOM 1079 CA SER A 70 -4.395 -14.840 1.016 1.00 0.00 C ATOM 1080 C SER A 70 -5.350 -15.122 2.172 1.00 0.00 C ATOM 1081 O SER A 70 -6.083 -16.110 2.158 1.00 0.00 O ATOM 1082 CB SER A 70 -2.992 -15.340 1.365 1.00 0.00 C ATOM 1083 OG SER A 70 -2.580 -14.858 2.633 1.00 0.00 O ATOM 0 H SER A 70 -3.431 -13.049 0.507 1.00 0.00 H new ATOM 0 HA SER A 70 -4.753 -15.371 0.134 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.980 -16.430 1.365 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.286 -15.014 0.601 1.00 0.00 H new ATOM 0 HG SER A 70 -2.354 -13.907 2.564 1.00 0.00 H new ATOM 1089 N ASN A 71 -5.335 -14.246 3.171 1.00 0.00 N ATOM 1090 CA ASN A 71 -6.199 -14.401 4.336 1.00 0.00 C ATOM 1091 C ASN A 71 -7.597 -13.861 4.051 1.00 0.00 C ATOM 1092 O ASN A 71 -7.753 -12.816 3.422 1.00 0.00 O ATOM 1093 CB ASN A 71 -5.597 -13.677 5.542 1.00 0.00 C ATOM 1094 CG ASN A 71 -6.321 -14.006 6.834 1.00 0.00 C ATOM 1095 OD1 ASN A 71 -7.097 -13.199 7.346 1.00 0.00 O ATOM 1096 ND2 ASN A 71 -6.070 -15.196 7.366 1.00 0.00 N ATOM 0 H ASN A 71 -4.735 -13.422 3.198 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.278 -15.465 4.561 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.546 -13.949 5.638 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.634 -12.601 5.372 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.528 -15.473 8.234 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.419 -15.833 6.907 1.00 0.00 H new ATOM 1103 N GLU A 72 -8.610 -14.583 4.520 1.00 0.00 N ATOM 1104 CA GLU A 72 -9.996 -14.177 4.315 1.00 0.00 C ATOM 1105 C GLU A 72 -10.374 -13.038 5.258 1.00 0.00 C ATOM 1106 O GLU A 72 -10.910 -12.017 4.830 1.00 0.00 O ATOM 1107 CB GLU A 72 -10.936 -15.365 4.529 1.00 0.00 C ATOM 1108 CG GLU A 72 -12.210 -15.289 3.705 1.00 0.00 C ATOM 1109 CD GLU A 72 -12.975 -16.598 3.691 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -13.194 -17.167 4.781 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -13.354 -17.053 2.592 1.00 0.00 O ATOM 0 H GLU A 72 -8.497 -15.451 5.044 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.097 -13.824 3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.407 -16.285 4.281 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.199 -15.424 5.585 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.850 -14.503 4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.960 -15.008 2.682 1.00 0.00 H new ATOM 1118 N GLU A 73 -10.091 -13.224 6.543 1.00 0.00 N ATOM 1119 CA GLU A 73 -10.403 -12.213 7.547 1.00 0.00 C ATOM 1120 C GLU A 73 -9.827 -10.857 7.150 1.00 0.00 C ATOM 1121 O GLU A 73 -10.539 -9.852 7.120 1.00 0.00 O ATOM 1122 CB GLU A 73 -9.855 -12.632 8.913 1.00 0.00 C ATOM 1123 CG GLU A 73 -10.415 -11.821 10.069 1.00 0.00 C ATOM 1124 CD GLU A 73 -9.997 -10.364 10.015 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -8.786 -10.100 9.864 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -10.881 -9.489 10.124 1.00 0.00 O ATOM 0 H GLU A 73 -9.647 -14.064 6.913 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.487 -12.124 7.611 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.080 -13.686 9.077 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.769 -12.535 8.905 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.503 -11.884 10.059 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.080 -12.257 11.010 1.00 0.00 H new ATOM 1133 N LYS A 74 -8.534 -10.835 6.848 1.00 0.00 N ATOM 1134 CA LYS A 74 -7.860 -9.604 6.452 1.00 0.00 C ATOM 1135 C LYS A 74 -8.454 -9.051 5.160 1.00 0.00 C ATOM 1136 O LYS A 74 -9.003 -7.949 5.141 1.00 0.00 O ATOM 1137 CB LYS A 74 -6.361 -9.854 6.271 1.00 0.00 C ATOM 1138 CG LYS A 74 -5.630 -10.135 7.572 1.00 0.00 C ATOM 1139 CD LYS A 74 -4.210 -10.613 7.322 1.00 0.00 C ATOM 1140 CE LYS A 74 -3.424 -10.727 8.619 1.00 0.00 C ATOM 1141 NZ LYS A 74 -2.876 -9.412 9.053 1.00 0.00 N ATOM 0 H LYS A 74 -7.931 -11.657 6.870 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.006 -8.868 7.243 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.221 -10.698 5.596 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.911 -8.984 5.792 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.609 -9.231 8.181 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.174 -10.889 8.140 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.234 -11.582 6.823 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.705 -9.920 6.649 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.069 -11.127 9.401 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.606 -11.435 8.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.347 -9.532 9.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.240 -9.041 8.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.658 -8.743 9.204 1.00 0.00 H new ATOM 1155 N ARG A 75 -8.340 -9.822 4.084 1.00 0.00 N ATOM 1156 CA ARG A 75 -8.866 -9.408 2.789 1.00 0.00 C ATOM 1157 C ARG A 75 -10.289 -8.874 2.925 1.00 0.00 C ATOM 1158 O ARG A 75 -10.551 -7.700 2.660 1.00 0.00 O ATOM 1159 CB ARG A 75 -8.842 -10.581 1.806 1.00 0.00 C ATOM 1160 CG ARG A 75 -9.489 -10.267 0.467 1.00 0.00 C ATOM 1161 CD ARG A 75 -8.690 -9.231 -0.308 1.00 0.00 C ATOM 1162 NE ARG A 75 -9.432 -8.715 -1.456 1.00 0.00 N ATOM 1163 CZ ARG A 75 -9.148 -7.565 -2.057 1.00 0.00 C ATOM 1164 NH1 ARG A 75 -8.145 -6.815 -1.622 1.00 0.00 N ATOM 1165 NH2 ARG A 75 -9.869 -7.163 -3.096 1.00 0.00 N ATOM 0 H ARG A 75 -7.888 -10.736 4.083 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.231 -8.609 2.406 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -7.808 -10.883 1.638 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.353 -11.432 2.256 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.571 -11.180 -0.122 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.503 -9.900 0.628 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.427 -8.406 0.354 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.755 -9.675 -0.650 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.210 -9.268 -1.815 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.589 -7.121 -0.824 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.930 -5.932 -2.086 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.642 -7.737 -3.433 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.651 -6.280 -3.557 1.00 0.00 H new ATOM 1179 N THR A 76 -11.205 -9.743 3.339 1.00 0.00 N ATOM 1180 CA THR A 76 -12.601 -9.360 3.508 1.00 0.00 C ATOM 1181 C THR A 76 -12.721 -8.035 4.252 1.00 0.00 C ATOM 1182 O THR A 76 -13.582 -7.214 3.942 1.00 0.00 O ATOM 1183 CB THR A 76 -13.391 -10.439 4.274 1.00 0.00 C ATOM 1184 OG1 THR A 76 -13.278 -11.698 3.601 1.00 0.00 O ATOM 1185 CG2 THR A 76 -14.857 -10.052 4.395 1.00 0.00 C ATOM 0 H THR A 76 -11.005 -10.718 3.564 1.00 0.00 H new ATOM 0 HA THR A 76 -13.022 -9.252 2.509 1.00 0.00 H new ATOM 0 HB THR A 76 -12.971 -10.524 5.276 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.441 -12.135 3.863 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.395 -10.828 4.939 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.941 -9.108 4.933 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.288 -9.942 3.400 1.00 0.00 H new ATOM 1193 N ASN A 77 -11.850 -7.833 5.236 1.00 0.00 N ATOM 1194 CA ASN A 77 -11.859 -6.607 6.025 1.00 0.00 C ATOM 1195 C ASN A 77 -11.421 -5.414 5.180 1.00 0.00 C ATOM 1196 O ASN A 77 -12.081 -4.374 5.167 1.00 0.00 O ATOM 1197 CB ASN A 77 -10.940 -6.750 7.240 1.00 0.00 C ATOM 1198 CG ASN A 77 -10.334 -5.427 7.666 1.00 0.00 C ATOM 1199 OD1 ASN A 77 -11.034 -4.421 7.787 1.00 0.00 O ATOM 1200 ND2 ASN A 77 -9.026 -5.422 7.894 1.00 0.00 N ATOM 0 H ASN A 77 -11.129 -8.503 5.506 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.879 -6.433 6.368 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -11.505 -7.172 8.071 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -10.141 -7.454 7.007 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.562 -4.561 8.182 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.485 -6.280 7.781 1.00 0.00 H new ATOM 1207 N TYR A 78 -10.307 -5.572 4.476 1.00 0.00 N ATOM 1208 CA TYR A 78 -9.780 -4.508 3.630 1.00 0.00 C ATOM 1209 C TYR A 78 -10.800 -4.097 2.573 1.00 0.00 C ATOM 1210 O TYR A 78 -11.214 -2.939 2.510 1.00 0.00 O ATOM 1211 CB TYR A 78 -8.483 -4.959 2.955 1.00 0.00 C ATOM 1212 CG TYR A 78 -7.731 -3.836 2.278 1.00 0.00 C ATOM 1213 CD1 TYR A 78 -7.505 -2.631 2.931 1.00 0.00 C ATOM 1214 CD2 TYR A 78 -7.245 -3.980 0.984 1.00 0.00 C ATOM 1215 CE1 TYR A 78 -6.818 -1.602 2.316 1.00 0.00 C ATOM 1216 CE2 TYR A 78 -6.556 -2.958 0.361 1.00 0.00 C ATOM 1217 CZ TYR A 78 -6.346 -1.770 1.031 1.00 0.00 C ATOM 1218 OH TYR A 78 -5.660 -0.748 0.415 1.00 0.00 O ATOM 0 H TYR A 78 -9.751 -6.427 4.474 1.00 0.00 H new ATOM 0 HA TYR A 78 -9.571 -3.645 4.263 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.836 -5.420 3.701 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.715 -5.726 2.217 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -7.873 -2.496 3.937 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.409 -4.908 0.456 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.652 -0.672 2.838 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.184 -3.088 -0.644 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.245 -1.082 -0.408 1.00 0.00 H new ATOM 1228 N ASP A 79 -11.201 -5.054 1.744 1.00 0.00 N ATOM 1229 CA ASP A 79 -12.174 -4.794 0.689 1.00 0.00 C ATOM 1230 C ASP A 79 -13.439 -4.160 1.261 1.00 0.00 C ATOM 1231 O ASP A 79 -13.863 -3.091 0.821 1.00 0.00 O ATOM 1232 CB ASP A 79 -12.525 -6.091 -0.041 1.00 0.00 C ATOM 1233 CG ASP A 79 -13.499 -5.868 -1.181 1.00 0.00 C ATOM 1234 OD1 ASP A 79 -13.416 -4.806 -1.834 1.00 0.00 O ATOM 1235 OD2 ASP A 79 -14.346 -6.754 -1.421 1.00 0.00 O ATOM 0 H ASP A 79 -10.867 -6.017 1.782 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.727 -4.096 -0.020 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.613 -6.544 -0.430 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -12.955 -6.798 0.668 1.00 0.00 H new ATOM 1240 N HIS A 80 -14.036 -4.826 2.244 1.00 0.00 N ATOM 1241 CA HIS A 80 -15.253 -4.327 2.876 1.00 0.00 C ATOM 1242 C HIS A 80 -15.067 -2.891 3.354 1.00 0.00 C ATOM 1243 O HIS A 80 -15.975 -2.066 3.242 1.00 0.00 O ATOM 1244 CB HIS A 80 -15.645 -5.222 4.052 1.00 0.00 C ATOM 1245 CG HIS A 80 -16.889 -4.775 4.756 1.00 0.00 C ATOM 1246 ND1 HIS A 80 -17.003 -3.548 5.376 1.00 0.00 N ATOM 1247 CD2 HIS A 80 -18.078 -5.397 4.935 1.00 0.00 C ATOM 1248 CE1 HIS A 80 -18.207 -3.436 5.908 1.00 0.00 C ATOM 1249 NE2 HIS A 80 -18.879 -4.545 5.654 1.00 0.00 N ATOM 0 H HIS A 80 -13.698 -5.712 2.620 1.00 0.00 H new ATOM 0 HA HIS A 80 -16.052 -4.343 2.134 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -15.788 -6.241 3.691 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -14.823 -5.249 4.767 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -18.346 -6.380 4.578 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -18.579 -2.583 6.457 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -19.838 -4.737 5.945 1.00 0.00 H new ATOM 1257 N TYR A 81 -13.886 -2.598 3.888 1.00 0.00 N ATOM 1258 CA TYR A 81 -13.583 -1.262 4.386 1.00 0.00 C ATOM 1259 C TYR A 81 -13.416 -0.276 3.234 1.00 0.00 C ATOM 1260 O TYR A 81 -13.485 0.938 3.425 1.00 0.00 O ATOM 1261 CB TYR A 81 -12.312 -1.288 5.238 1.00 0.00 C ATOM 1262 CG TYR A 81 -12.282 -0.226 6.313 1.00 0.00 C ATOM 1263 CD1 TYR A 81 -13.201 -0.236 7.354 1.00 0.00 C ATOM 1264 CD2 TYR A 81 -11.334 0.790 6.287 1.00 0.00 C ATOM 1265 CE1 TYR A 81 -13.177 0.733 8.338 1.00 0.00 C ATOM 1266 CE2 TYR A 81 -11.301 1.762 7.267 1.00 0.00 C ATOM 1267 CZ TYR A 81 -12.225 1.730 8.291 1.00 0.00 C ATOM 1268 OH TYR A 81 -12.197 2.698 9.269 1.00 0.00 O ATOM 0 H TYR A 81 -13.123 -3.268 3.987 1.00 0.00 H new ATOM 0 HA TYR A 81 -14.419 -0.934 5.003 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -12.218 -2.268 5.705 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -11.446 -1.160 4.588 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -13.948 -1.015 7.395 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -10.610 0.820 5.486 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.900 0.710 9.140 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.556 2.543 7.232 1.00 0.00 H new ATOM 0 HH TYR A 81 -11.465 3.324 9.089 1.00 0.00 H new ATOM 1278 N GLY A 82 -13.195 -0.808 2.036 1.00 0.00 N ATOM 1279 CA GLY A 82 -13.022 0.038 0.869 1.00 0.00 C ATOM 1280 C GLY A 82 -11.686 0.755 0.866 1.00 0.00 C ATOM 1281 O GLY A 82 -11.604 1.927 0.498 1.00 0.00 O ATOM 0 H GLY A 82 -13.133 -1.809 1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.107 -0.569 -0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.826 0.773 0.835 1.00 0.00 H new ATOM 1285 N SER A 83 -10.637 0.050 1.279 1.00 0.00 N ATOM 1286 CA SER A 83 -9.300 0.628 1.327 1.00 0.00 C ATOM 1287 C SER A 83 -9.275 1.868 2.215 1.00 0.00 C ATOM 1288 O SER A 83 -8.660 2.878 1.875 1.00 0.00 O ATOM 1289 CB SER A 83 -8.825 0.987 -0.082 1.00 0.00 C ATOM 1290 OG SER A 83 -8.861 -0.143 -0.936 1.00 0.00 O ATOM 0 H SER A 83 -10.688 -0.922 1.585 1.00 0.00 H new ATOM 0 HA SER A 83 -8.626 -0.116 1.752 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.455 1.776 -0.491 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.810 1.381 -0.037 1.00 0.00 H new ATOM 0 HG SER A 83 -8.220 -0.813 -0.619 1.00 0.00 H new ATOM 1296 N GLY A 84 -9.951 1.784 3.358 1.00 0.00 N ATOM 1297 CA GLY A 84 -9.995 2.905 4.278 1.00 0.00 C ATOM 1298 C GLY A 84 -8.735 3.020 5.113 1.00 0.00 C ATOM 1299 O GLY A 84 -8.047 2.033 5.376 1.00 0.00 O ATOM 0 H GLY A 84 -10.469 0.959 3.662 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.140 3.827 3.715 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.856 2.796 4.938 1.00 0.00 H new ATOM 1303 N PRO A 85 -8.415 4.249 5.542 1.00 0.00 N ATOM 1304 CA PRO A 85 -7.226 4.519 6.357 1.00 0.00 C ATOM 1305 C PRO A 85 -7.349 3.952 7.767 1.00 0.00 C ATOM 1306 O PRO A 85 -8.320 3.267 8.088 1.00 0.00 O ATOM 1307 CB PRO A 85 -7.165 6.048 6.399 1.00 0.00 C ATOM 1308 CG PRO A 85 -8.571 6.490 6.183 1.00 0.00 C ATOM 1309 CD PRO A 85 -9.189 5.471 5.266 1.00 0.00 C ATOM 0 HA PRO A 85 -6.332 4.054 5.941 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.781 6.403 7.356 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -6.504 6.439 5.626 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.112 6.544 7.127 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.604 7.485 5.739 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.249 5.331 5.477 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.109 5.770 4.221 1.00 0.00 H new ATOM 1317 N SER A 86 -6.359 4.242 8.605 1.00 0.00 N ATOM 1318 CA SER A 86 -6.356 3.758 9.981 1.00 0.00 C ATOM 1319 C SER A 86 -5.895 4.851 10.940 1.00 0.00 C ATOM 1320 O SER A 86 -5.225 5.803 10.539 1.00 0.00 O ATOM 1321 CB SER A 86 -5.447 2.534 10.110 1.00 0.00 C ATOM 1322 OG SER A 86 -4.135 2.823 9.657 1.00 0.00 O ATOM 0 H SER A 86 -5.549 4.809 8.356 1.00 0.00 H new ATOM 0 HA SER A 86 -7.375 3.475 10.244 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.413 2.210 11.150 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.861 1.707 9.532 1.00 0.00 H new ATOM 0 HG SER A 86 -3.573 2.026 9.751 1.00 0.00 H new ATOM 1328 N SER A 87 -6.260 4.708 12.210 1.00 0.00 N ATOM 1329 CA SER A 87 -5.889 5.684 13.228 1.00 0.00 C ATOM 1330 C SER A 87 -4.372 5.785 13.355 1.00 0.00 C ATOM 1331 O SER A 87 -3.799 6.868 13.240 1.00 0.00 O ATOM 1332 CB SER A 87 -6.501 5.304 14.577 1.00 0.00 C ATOM 1333 OG SER A 87 -6.445 6.389 15.487 1.00 0.00 O ATOM 0 H SER A 87 -6.813 3.925 12.559 1.00 0.00 H new ATOM 0 HA SER A 87 -6.277 6.656 12.923 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.537 4.997 14.436 1.00 0.00 H new ATOM 0 HB3 SER A 87 -5.969 4.449 14.993 1.00 0.00 H new ATOM 0 HG SER A 87 -6.844 6.121 16.341 1.00 0.00 H new ATOM 1339 N GLY A 88 -3.727 4.647 13.593 1.00 0.00 N ATOM 1340 CA GLY A 88 -2.282 4.629 13.733 1.00 0.00 C ATOM 1341 C GLY A 88 -1.660 3.372 13.157 1.00 0.00 C ATOM 1342 O GLY A 88 -1.411 2.408 13.880 1.00 0.00 O ATOM 0 H GLY A 88 -4.179 3.738 13.691 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.861 5.501 13.233 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.021 4.709 14.788 1.00 0.00 H new TER 1346 GLY A 88