USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 784 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 60 LYS NZ :NH3+ -100:sc= 0.0436 (180deg=0) USER MOD Set 1.2: A 62 HIS : no HE2:sc= -7.48! C(o=-7.4!,f=-8.5!) 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 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-3.4!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= -0.0619 (180deg=-0.368) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -134:sc= -1.08 (180deg=-3.68!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 160:sc= -1.07 (180deg=-2.71!) USER MOD Single : A 48 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 51 MET CE :methyl 177:sc= -3.52 (180deg=-3.69) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 10:sc= -0.317 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -1.92! C(o=-1.9!,f=-3.7!) USER MOD Single : A 82 ASN :FLIP amide:sc= -2.13! C(o=-6.1!,f=-2.1!) USER MOD Single : A 84 LYS NZ :NH3+ 167:sc= -0.0847 (180deg=-0.347) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -2.81 K(o=-2.8,f=-5.1!) USER MOD Single : A 95 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00564) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.486 21.380 -10.981 1.00 0.00 N ATOM 2 CA GLY A 1 -9.967 20.352 -10.035 1.00 0.00 C ATOM 3 C GLY A 1 -10.984 19.971 -8.977 1.00 0.00 C ATOM 4 O GLY A 1 -11.998 19.341 -9.279 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.754 21.606 -11.684 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.329 21.012 -11.466 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.738 22.241 -10.454 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.678 19.462 -10.594 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.067 20.730 -9.550 1.00 0.00 H new ATOM 10 N SER A 2 -10.711 20.355 -7.735 1.00 0.00 N ATOM 11 CA SER A 2 -11.608 20.053 -6.626 1.00 0.00 C ATOM 12 C SER A 2 -11.757 18.546 -6.434 1.00 0.00 C ATOM 13 O SER A 2 -12.789 18.071 -5.958 1.00 0.00 O ATOM 14 CB SER A 2 -12.980 20.685 -6.864 1.00 0.00 C ATOM 15 OG SER A 2 -12.858 21.955 -7.481 1.00 0.00 O ATOM 0 H SER A 2 -9.875 20.876 -7.471 1.00 0.00 H new ATOM 0 HA SER A 2 -11.173 20.474 -5.720 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.582 20.029 -7.492 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.506 20.788 -5.915 1.00 0.00 H new ATOM 0 HG SER A 2 -13.749 22.336 -7.624 1.00 0.00 H new ATOM 21 N HIS A 3 -10.721 17.798 -6.804 1.00 0.00 N ATOM 22 CA HIS A 3 -10.741 16.347 -6.667 1.00 0.00 C ATOM 23 C HIS A 3 -10.399 15.936 -5.238 1.00 0.00 C ATOM 24 O HIS A 3 -9.873 16.735 -4.464 1.00 0.00 O ATOM 25 CB HIS A 3 -9.751 15.708 -7.645 1.00 0.00 C ATOM 26 CG HIS A 3 -8.355 16.232 -7.509 1.00 0.00 C ATOM 27 ND1 HIS A 3 -7.719 16.375 -6.294 1.00 0.00 N ATOM 28 CD2 HIS A 3 -7.467 16.645 -8.445 1.00 0.00 C ATOM 29 CE1 HIS A 3 -6.504 16.855 -6.486 1.00 0.00 C ATOM 30 NE2 HIS A 3 -6.326 17.027 -7.782 1.00 0.00 N ATOM 0 H HIS A 3 -9.859 18.173 -7.200 1.00 0.00 H new ATOM 0 HA HIS A 3 -11.747 15.996 -6.899 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -9.743 14.629 -7.488 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.097 15.879 -8.664 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -7.626 16.669 -9.513 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -5.780 17.070 -5.714 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -5.478 17.386 -8.221 1.00 0.00 H new ATOM 38 N MET A 4 -10.703 14.688 -4.892 1.00 0.00 N ATOM 39 CA MET A 4 -10.425 14.182 -3.554 1.00 0.00 C ATOM 40 C MET A 4 -10.238 12.667 -3.563 1.00 0.00 C ATOM 41 O MET A 4 -9.280 12.149 -2.992 1.00 0.00 O ATOM 42 CB MET A 4 -11.557 14.561 -2.597 1.00 0.00 C ATOM 43 CG MET A 4 -12.931 14.112 -3.065 1.00 0.00 C ATOM 44 SD MET A 4 -14.257 14.743 -2.019 1.00 0.00 S ATOM 45 CE MET A 4 -15.183 13.243 -1.704 1.00 0.00 C ATOM 0 H MET A 4 -11.140 14.012 -5.518 1.00 0.00 H new ATOM 0 HA MET A 4 -9.497 14.639 -3.211 1.00 0.00 H new ATOM 0 HB2 MET A 4 -11.355 14.124 -1.619 1.00 0.00 H new ATOM 0 HB3 MET A 4 -11.563 15.643 -2.467 1.00 0.00 H new ATOM 0 HG2 MET A 4 -13.090 14.448 -4.090 1.00 0.00 H new ATOM 0 HG3 MET A 4 -12.969 13.023 -3.077 1.00 0.00 H new ATOM 0 HE1 MET A 4 -16.038 13.470 -1.068 1.00 0.00 H new ATOM 0 HE2 MET A 4 -15.534 12.827 -2.648 1.00 0.00 H new ATOM 0 HE3 MET A 4 -14.541 12.518 -1.204 1.00 0.00 H new ATOM 55 N GLN A 5 -11.162 11.965 -4.209 1.00 0.00 N ATOM 56 CA GLN A 5 -11.096 10.509 -4.286 1.00 0.00 C ATOM 57 C GLN A 5 -10.465 10.058 -5.599 1.00 0.00 C ATOM 58 O GLN A 5 -10.966 10.365 -6.680 1.00 0.00 O ATOM 59 CB GLN A 5 -12.496 9.907 -4.141 1.00 0.00 C ATOM 60 CG GLN A 5 -12.693 9.146 -2.842 1.00 0.00 C ATOM 61 CD GLN A 5 -14.093 8.585 -2.703 1.00 0.00 C ATOM 62 OE1 GLN A 5 -14.871 8.582 -3.656 1.00 0.00 O ATOM 63 NE2 GLN A 5 -14.420 8.107 -1.508 1.00 0.00 N ATOM 0 H GLN A 5 -11.964 12.378 -4.686 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.470 10.155 -3.467 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -13.235 10.706 -4.201 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -12.683 9.236 -4.979 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.972 8.330 -2.790 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -12.486 9.809 -2.002 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -13.742 8.130 -0.746 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -15.349 7.717 -1.352 1.00 0.00 H new ATOM 72 N ALA A 6 -9.361 9.327 -5.493 1.00 0.00 N ATOM 73 CA ALA A 6 -8.657 8.830 -6.668 1.00 0.00 C ATOM 74 C ALA A 6 -9.561 7.941 -7.515 1.00 0.00 C ATOM 75 O ALA A 6 -10.512 7.344 -7.011 1.00 0.00 O ATOM 76 CB ALA A 6 -7.405 8.075 -6.253 1.00 0.00 C ATOM 0 H ALA A 6 -8.934 9.066 -4.604 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.365 9.686 -7.275 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.889 7.710 -7.141 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.745 8.742 -5.699 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.682 7.231 -5.621 1.00 0.00 H new ATOM 82 N THR A 7 -9.257 7.859 -8.807 1.00 0.00 N ATOM 83 CA THR A 7 -10.040 7.048 -9.729 1.00 0.00 C ATOM 84 C THR A 7 -9.247 5.833 -10.199 1.00 0.00 C ATOM 85 O THR A 7 -8.037 5.912 -10.413 1.00 0.00 O ATOM 86 CB THR A 7 -10.467 7.885 -10.935 1.00 0.00 C ATOM 87 OG1 THR A 7 -10.997 9.131 -10.517 1.00 0.00 O ATOM 88 CG2 THR A 7 -11.509 7.208 -11.799 1.00 0.00 C ATOM 0 H THR A 7 -8.472 8.346 -9.238 1.00 0.00 H new ATOM 0 HA THR A 7 -10.927 6.698 -9.201 1.00 0.00 H new ATOM 0 HB THR A 7 -9.562 8.018 -11.528 1.00 0.00 H new ATOM 0 HG1 THR A 7 -11.263 9.653 -11.302 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.766 7.858 -12.636 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.111 6.267 -12.179 1.00 0.00 H new ATOM 0 HG23 THR A 7 -12.402 7.011 -11.205 1.00 0.00 H new ATOM 96 N TRP A 8 -9.939 4.709 -10.357 1.00 0.00 N ATOM 97 CA TRP A 8 -9.305 3.475 -10.805 1.00 0.00 C ATOM 98 C TRP A 8 -10.241 2.664 -11.703 1.00 0.00 C ATOM 99 O TRP A 8 -11.450 2.898 -11.734 1.00 0.00 O ATOM 100 CB TRP A 8 -8.883 2.628 -9.602 1.00 0.00 C ATOM 101 CG TRP A 8 -7.837 3.279 -8.752 1.00 0.00 C ATOM 102 CD1 TRP A 8 -8.011 4.332 -7.903 1.00 0.00 C ATOM 103 CD2 TRP A 8 -6.452 2.920 -8.669 1.00 0.00 C ATOM 104 NE1 TRP A 8 -6.821 4.651 -7.294 1.00 0.00 N ATOM 105 CE2 TRP A 8 -5.849 3.798 -7.748 1.00 0.00 C ATOM 106 CE3 TRP A 8 -5.663 1.940 -9.281 1.00 0.00 C ATOM 107 CZ2 TRP A 8 -4.494 3.724 -7.426 1.00 0.00 C ATOM 108 CZ3 TRP A 8 -4.324 1.871 -8.962 1.00 0.00 C ATOM 109 CH2 TRP A 8 -3.748 2.756 -8.043 1.00 0.00 C ATOM 0 H TRP A 8 -10.940 4.628 -10.181 1.00 0.00 H new ATOM 0 HA TRP A 8 -8.423 3.746 -11.384 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -9.760 2.419 -8.989 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -8.506 1.669 -9.957 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -8.948 4.841 -7.734 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -6.684 5.400 -6.615 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -6.095 1.250 -9.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -4.049 4.405 -6.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.707 1.119 -9.431 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.695 2.674 -7.816 1.00 0.00 H new ATOM 120 N LYS A 9 -9.667 1.699 -12.415 1.00 0.00 N ATOM 121 CA LYS A 9 -10.429 0.823 -13.304 1.00 0.00 C ATOM 122 C LYS A 9 -9.799 -0.565 -13.327 1.00 0.00 C ATOM 123 O LYS A 9 -9.911 -1.296 -14.306 1.00 0.00 O ATOM 124 CB LYS A 9 -10.470 1.397 -14.726 1.00 0.00 C ATOM 125 CG LYS A 9 -9.119 1.395 -15.432 1.00 0.00 C ATOM 126 CD LYS A 9 -9.009 0.261 -16.444 1.00 0.00 C ATOM 127 CE LYS A 9 -9.866 0.517 -17.672 1.00 0.00 C ATOM 128 NZ LYS A 9 -9.412 1.719 -18.425 1.00 0.00 N ATOM 0 H LYS A 9 -8.667 1.501 -12.394 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.450 0.752 -12.928 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.180 0.821 -15.319 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.845 2.419 -14.684 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.972 2.349 -15.938 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.323 1.301 -14.693 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.968 0.142 -16.745 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.314 -0.675 -15.976 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.833 -0.355 -18.326 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.905 0.649 -17.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.802 1.693 -19.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.743 2.578 -17.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.373 1.727 -18.472 1.00 0.00 H new ATOM 142 N GLU A 10 -9.118 -0.914 -12.244 1.00 0.00 N ATOM 143 CA GLU A 10 -8.442 -2.197 -12.147 1.00 0.00 C ATOM 144 C GLU A 10 -9.412 -3.377 -12.201 1.00 0.00 C ATOM 145 O GLU A 10 -10.462 -3.367 -11.561 1.00 0.00 O ATOM 146 CB GLU A 10 -7.605 -2.244 -10.870 1.00 0.00 C ATOM 147 CG GLU A 10 -8.430 -2.232 -9.592 1.00 0.00 C ATOM 148 CD GLU A 10 -8.647 -0.831 -9.052 1.00 0.00 C ATOM 149 OE1 GLU A 10 -7.646 -0.115 -8.842 1.00 0.00 O ATOM 150 OE2 GLU A 10 -9.817 -0.451 -8.840 1.00 0.00 O ATOM 0 H GLU A 10 -9.020 -0.323 -11.418 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.789 -2.292 -13.015 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.988 -3.143 -10.884 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.926 -1.391 -10.861 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.397 -2.698 -9.783 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.930 -2.836 -8.835 1.00 0.00 H new ATOM 157 N LYS A 11 -9.034 -4.399 -12.970 1.00 0.00 N ATOM 158 CA LYS A 11 -9.850 -5.601 -13.113 1.00 0.00 C ATOM 159 C LYS A 11 -9.866 -6.387 -11.801 1.00 0.00 C ATOM 160 O LYS A 11 -9.718 -5.802 -10.728 1.00 0.00 O ATOM 161 CB LYS A 11 -9.317 -6.473 -14.260 1.00 0.00 C ATOM 162 CG LYS A 11 -7.913 -7.007 -14.025 1.00 0.00 C ATOM 163 CD LYS A 11 -7.738 -8.404 -14.604 1.00 0.00 C ATOM 164 CE LYS A 11 -7.143 -8.366 -16.003 1.00 0.00 C ATOM 165 NZ LYS A 11 -7.899 -9.231 -16.954 1.00 0.00 N ATOM 0 H LYS A 11 -8.165 -4.416 -13.504 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.872 -5.306 -13.352 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.995 -7.313 -14.410 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.324 -5.890 -15.181 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.186 -6.332 -14.477 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.706 -7.028 -12.955 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.092 -8.990 -13.950 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.704 -8.909 -14.633 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.142 -7.339 -16.369 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.104 -8.692 -15.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.461 -9.177 -17.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.879 -10.215 -16.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.885 -8.905 -17.011 1.00 0.00 H new ATOM 179 N ASP A 12 -10.046 -7.703 -11.878 1.00 0.00 N ATOM 180 CA ASP A 12 -10.075 -8.535 -10.681 1.00 0.00 C ATOM 181 C ASP A 12 -9.176 -9.758 -10.832 1.00 0.00 C ATOM 182 O ASP A 12 -9.354 -10.758 -10.133 1.00 0.00 O ATOM 183 CB ASP A 12 -11.509 -8.970 -10.373 1.00 0.00 C ATOM 184 CG ASP A 12 -12.445 -7.793 -10.177 1.00 0.00 C ATOM 185 OD1 ASP A 12 -12.994 -7.297 -11.183 1.00 0.00 O ATOM 186 OD2 ASP A 12 -12.629 -7.367 -9.017 1.00 0.00 O ATOM 0 H ASP A 12 -10.173 -8.213 -12.752 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.696 -7.939 -9.851 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.879 -9.592 -11.188 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.513 -9.586 -9.474 1.00 0.00 H new ATOM 191 N GLY A 13 -8.219 -9.683 -11.751 1.00 0.00 N ATOM 192 CA GLY A 13 -7.316 -10.801 -11.978 1.00 0.00 C ATOM 193 C GLY A 13 -5.961 -10.613 -11.319 1.00 0.00 C ATOM 194 O GLY A 13 -5.811 -9.795 -10.412 1.00 0.00 O ATOM 0 H GLY A 13 -8.051 -8.870 -12.343 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.775 -11.714 -11.599 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.177 -10.936 -13.051 1.00 0.00 H new ATOM 198 N ALA A 14 -4.976 -11.385 -11.771 1.00 0.00 N ATOM 199 CA ALA A 14 -3.625 -11.319 -11.217 1.00 0.00 C ATOM 200 C ALA A 14 -2.915 -10.018 -11.589 1.00 0.00 C ATOM 201 O ALA A 14 -3.516 -9.111 -12.166 1.00 0.00 O ATOM 202 CB ALA A 14 -2.810 -12.515 -11.685 1.00 0.00 C ATOM 0 H ALA A 14 -5.088 -12.066 -12.522 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.714 -11.342 -10.131 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.805 -12.457 -11.267 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.289 -13.435 -11.351 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.751 -12.512 -12.773 1.00 0.00 H new ATOM 208 N VAL A 15 -1.615 -9.964 -11.302 1.00 0.00 N ATOM 209 CA VAL A 15 -0.794 -8.808 -11.654 1.00 0.00 C ATOM 210 C VAL A 15 -0.640 -8.694 -13.166 1.00 0.00 C ATOM 211 O VAL A 15 -0.596 -9.707 -13.864 1.00 0.00 O ATOM 212 CB VAL A 15 0.604 -8.869 -11.015 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.365 -10.097 -11.495 1.00 0.00 C ATOM 214 CG2 VAL A 15 1.385 -7.595 -11.308 1.00 0.00 C ATOM 0 H VAL A 15 -1.107 -10.710 -10.826 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.313 -7.932 -11.265 1.00 0.00 H new ATOM 0 HB VAL A 15 0.482 -8.950 -9.935 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.351 -10.119 -11.030 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.814 -10.997 -11.221 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.476 -10.056 -12.579 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.371 -7.658 -10.847 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.495 -7.476 -12.386 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.849 -6.738 -10.901 1.00 0.00 H new ATOM 224 N GLU A 16 -0.520 -7.474 -13.670 1.00 0.00 N ATOM 225 CA GLU A 16 -0.325 -7.261 -15.096 1.00 0.00 C ATOM 226 C GLU A 16 0.753 -6.204 -15.326 1.00 0.00 C ATOM 227 O GLU A 16 1.155 -5.505 -14.396 1.00 0.00 O ATOM 228 CB GLU A 16 -1.637 -6.859 -15.775 1.00 0.00 C ATOM 229 CG GLU A 16 -2.342 -8.021 -16.459 1.00 0.00 C ATOM 230 CD GLU A 16 -2.456 -7.839 -17.960 1.00 0.00 C ATOM 231 OE1 GLU A 16 -1.571 -7.181 -18.547 1.00 0.00 O ATOM 232 OE2 GLU A 16 -3.431 -8.354 -18.548 1.00 0.00 O ATOM 0 H GLU A 16 -0.554 -6.619 -13.114 1.00 0.00 H new ATOM 0 HA GLU A 16 0.006 -8.198 -15.544 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.305 -6.425 -15.031 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.433 -6.082 -16.512 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.799 -8.943 -16.250 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.340 -8.135 -16.035 1.00 0.00 H new ATOM 239 N ALA A 17 1.243 -6.137 -16.564 1.00 0.00 N ATOM 240 CA ALA A 17 2.320 -5.208 -16.942 1.00 0.00 C ATOM 241 C ALA A 17 2.445 -4.040 -15.955 1.00 0.00 C ATOM 242 O ALA A 17 3.386 -3.996 -15.164 1.00 0.00 O ATOM 243 CB ALA A 17 2.094 -4.689 -18.354 1.00 0.00 C ATOM 0 H ALA A 17 0.910 -6.719 -17.332 1.00 0.00 H new ATOM 0 HA ALA A 17 3.258 -5.761 -16.909 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.897 -4.003 -18.622 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.084 -5.526 -19.052 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.139 -4.166 -18.401 1.00 0.00 H new ATOM 249 N GLU A 18 1.516 -3.089 -16.005 1.00 0.00 N ATOM 250 CA GLU A 18 1.576 -1.934 -15.105 1.00 0.00 C ATOM 251 C GLU A 18 0.352 -1.869 -14.194 1.00 0.00 C ATOM 252 O GLU A 18 -0.527 -1.025 -14.372 1.00 0.00 O ATOM 253 CB GLU A 18 1.696 -0.640 -15.911 1.00 0.00 C ATOM 254 CG GLU A 18 0.662 -0.515 -17.017 1.00 0.00 C ATOM 255 CD GLU A 18 1.269 -0.639 -18.401 1.00 0.00 C ATOM 256 OE1 GLU A 18 1.906 0.333 -18.859 1.00 0.00 O ATOM 257 OE2 GLU A 18 1.107 -1.708 -19.026 1.00 0.00 O ATOM 0 H GLU A 18 0.723 -3.091 -16.647 1.00 0.00 H new ATOM 0 HA GLU A 18 2.458 -2.050 -14.476 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.598 0.210 -15.235 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.693 -0.585 -16.349 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.098 -1.286 -16.887 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.158 0.447 -16.931 1.00 0.00 H new ATOM 264 N ASP A 19 0.291 -2.792 -13.234 1.00 0.00 N ATOM 265 CA ASP A 19 -0.834 -2.878 -12.302 1.00 0.00 C ATOM 266 C ASP A 19 -0.533 -2.229 -10.950 1.00 0.00 C ATOM 267 O ASP A 19 0.534 -1.655 -10.745 1.00 0.00 O ATOM 268 CB ASP A 19 -1.176 -4.346 -12.079 1.00 0.00 C ATOM 269 CG ASP A 19 -1.982 -4.929 -13.214 1.00 0.00 C ATOM 270 OD1 ASP A 19 -1.932 -4.367 -14.330 1.00 0.00 O ATOM 271 OD2 ASP A 19 -2.667 -5.949 -12.988 1.00 0.00 O ATOM 0 H ASP A 19 1.013 -3.496 -13.081 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.670 -2.336 -12.746 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.255 -4.917 -11.961 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.736 -4.448 -11.149 1.00 0.00 H new ATOM 276 N ARG A 20 -1.494 -2.346 -10.028 1.00 0.00 N ATOM 277 CA ARG A 20 -1.355 -1.800 -8.680 1.00 0.00 C ATOM 278 C ARG A 20 -1.930 -2.774 -7.649 1.00 0.00 C ATOM 279 O ARG A 20 -3.139 -3.001 -7.602 1.00 0.00 O ATOM 280 CB ARG A 20 -2.060 -0.452 -8.571 1.00 0.00 C ATOM 281 CG ARG A 20 -1.192 0.726 -8.985 1.00 0.00 C ATOM 282 CD ARG A 20 -0.595 1.428 -7.778 1.00 0.00 C ATOM 283 NE ARG A 20 -0.396 2.855 -8.021 1.00 0.00 N ATOM 284 CZ ARG A 20 0.342 3.643 -7.244 1.00 0.00 C ATOM 285 NH1 ARG A 20 0.973 3.147 -6.188 1.00 0.00 N ATOM 286 NH2 ARG A 20 0.456 4.933 -7.529 1.00 0.00 N ATOM 0 H ARG A 20 -2.382 -2.818 -10.196 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.294 -1.656 -8.478 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.955 -0.469 -9.193 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.389 -0.306 -7.542 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.391 0.378 -9.638 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.788 1.434 -9.561 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.252 1.294 -6.919 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.359 0.966 -7.525 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.850 3.271 -8.834 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.894 2.154 -5.967 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.537 3.758 -5.597 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.022 5.320 -8.343 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.022 5.539 -6.934 1.00 0.00 H new ATOM 300 N VAL A 21 -1.058 -3.337 -6.816 1.00 0.00 N ATOM 301 CA VAL A 21 -1.468 -4.276 -5.771 1.00 0.00 C ATOM 302 C VAL A 21 -1.711 -3.569 -4.437 1.00 0.00 C ATOM 303 O VAL A 21 -1.237 -2.452 -4.223 1.00 0.00 O ATOM 304 CB VAL A 21 -0.393 -5.358 -5.549 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.219 -6.225 -6.791 1.00 0.00 C ATOM 306 CG2 VAL A 21 0.927 -4.715 -5.155 1.00 0.00 C ATOM 0 H VAL A 21 -0.054 -3.158 -6.844 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.397 -4.732 -6.114 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.724 -6.004 -4.736 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.546 -6.979 -6.604 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.163 -6.716 -7.027 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.085 -5.600 -7.631 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.678 -5.490 -5.001 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.256 -4.044 -5.948 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.795 -4.149 -4.233 1.00 0.00 H new ATOM 316 N THR A 22 -2.403 -4.249 -3.522 1.00 0.00 N ATOM 317 CA THR A 22 -2.643 -3.708 -2.192 1.00 0.00 C ATOM 318 C THR A 22 -1.920 -4.583 -1.178 1.00 0.00 C ATOM 319 O THR A 22 -2.253 -5.754 -1.016 1.00 0.00 O ATOM 320 CB THR A 22 -4.134 -3.661 -1.866 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.824 -2.823 -2.778 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.411 -3.151 -0.468 1.00 0.00 C ATOM 0 H THR A 22 -2.805 -5.173 -3.681 1.00 0.00 H new ATOM 0 HA THR A 22 -2.267 -2.686 -2.154 1.00 0.00 H new ATOM 0 HB THR A 22 -4.486 -4.690 -1.943 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.777 -2.809 -2.552 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.487 -3.139 -0.292 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.931 -3.805 0.260 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.015 -2.141 -0.364 1.00 0.00 H new ATOM 330 N ILE A 23 -0.904 -4.033 -0.528 1.00 0.00 N ATOM 331 CA ILE A 23 -0.123 -4.809 0.424 1.00 0.00 C ATOM 332 C ILE A 23 0.013 -4.129 1.789 1.00 0.00 C ATOM 333 O ILE A 23 0.015 -2.903 1.897 1.00 0.00 O ATOM 334 CB ILE A 23 1.292 -5.066 -0.125 1.00 0.00 C ATOM 335 CG1 ILE A 23 1.908 -3.770 -0.642 1.00 0.00 C ATOM 336 CG2 ILE A 23 1.266 -6.109 -1.228 1.00 0.00 C ATOM 337 CD1 ILE A 23 3.417 -3.770 -0.613 1.00 0.00 C ATOM 0 H ILE A 23 -0.604 -3.065 -0.640 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.667 -5.744 0.561 1.00 0.00 H new ATOM 0 HB ILE A 23 1.906 -5.446 0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.572 -3.599 -1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.540 -2.937 -0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.278 -6.272 -1.599 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.868 -7.045 -0.835 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.633 -5.760 -2.044 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.788 -2.819 -0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.761 -3.910 0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.793 -4.582 -1.236 1.00 0.00 H new ATOM 349 N ASP A 24 0.175 -4.958 2.819 1.00 0.00 N ATOM 350 CA ASP A 24 0.373 -4.497 4.192 1.00 0.00 C ATOM 351 C ASP A 24 1.691 -5.081 4.695 1.00 0.00 C ATOM 352 O ASP A 24 1.882 -6.296 4.644 1.00 0.00 O ATOM 353 CB ASP A 24 -0.777 -4.959 5.095 1.00 0.00 C ATOM 354 CG ASP A 24 -0.975 -6.461 5.061 1.00 0.00 C ATOM 355 OD1 ASP A 24 -1.457 -6.970 4.027 1.00 0.00 O ATOM 356 OD2 ASP A 24 -0.652 -7.127 6.066 1.00 0.00 O ATOM 0 H ASP A 24 0.173 -5.974 2.724 1.00 0.00 H new ATOM 0 HA ASP A 24 0.397 -3.408 4.215 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.578 -4.645 6.120 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.699 -4.467 4.784 1.00 0.00 H new ATOM 361 N PHE A 25 2.621 -4.240 5.143 1.00 0.00 N ATOM 362 CA PHE A 25 3.916 -4.752 5.593 1.00 0.00 C ATOM 363 C PHE A 25 4.469 -4.018 6.806 1.00 0.00 C ATOM 364 O PHE A 25 3.950 -2.986 7.223 1.00 0.00 O ATOM 365 CB PHE A 25 4.927 -4.671 4.449 1.00 0.00 C ATOM 366 CG PHE A 25 5.338 -3.268 4.097 1.00 0.00 C ATOM 367 CD1 PHE A 25 6.194 -2.552 4.921 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.847 -2.656 2.955 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.551 -1.253 4.610 1.00 0.00 C ATOM 370 CE2 PHE A 25 5.199 -1.357 2.647 1.00 0.00 C ATOM 371 CZ PHE A 25 6.048 -0.656 3.474 1.00 0.00 C ATOM 0 H PHE A 25 2.509 -3.228 5.204 1.00 0.00 H new ATOM 0 HA PHE A 25 3.753 -5.786 5.895 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.815 -5.242 4.721 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.500 -5.147 3.566 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.586 -3.014 5.815 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.183 -3.200 2.300 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.223 -0.707 5.256 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.808 -0.890 1.755 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.320 0.361 3.233 1.00 0.00 H new ATOM 381 N THR A 26 5.542 -4.577 7.360 1.00 0.00 N ATOM 382 CA THR A 26 6.204 -4.001 8.526 1.00 0.00 C ATOM 383 C THR A 26 7.688 -4.361 8.535 1.00 0.00 C ATOM 384 O THR A 26 8.048 -5.536 8.605 1.00 0.00 O ATOM 385 CB THR A 26 5.540 -4.499 9.810 1.00 0.00 C ATOM 386 OG1 THR A 26 4.127 -4.384 9.717 1.00 0.00 O ATOM 387 CG2 THR A 26 5.993 -3.745 11.041 1.00 0.00 C ATOM 0 H THR A 26 5.974 -5.435 7.016 1.00 0.00 H new ATOM 0 HA THR A 26 6.109 -2.916 8.473 1.00 0.00 H new ATOM 0 HB THR A 26 5.840 -5.541 9.916 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.717 -4.708 10.546 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.486 -4.145 11.919 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.071 -3.858 11.161 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.749 -2.688 10.931 1.00 0.00 H new ATOM 395 N GLY A 27 8.551 -3.348 8.457 1.00 0.00 N ATOM 396 CA GLY A 27 9.984 -3.601 8.454 1.00 0.00 C ATOM 397 C GLY A 27 10.811 -2.403 8.882 1.00 0.00 C ATOM 398 O GLY A 27 10.292 -1.303 9.052 1.00 0.00 O ATOM 0 H GLY A 27 8.286 -2.365 8.396 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.199 -4.437 9.120 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.289 -3.904 7.453 1.00 0.00 H new ATOM 402 N SER A 28 12.107 -2.634 9.068 1.00 0.00 N ATOM 403 CA SER A 28 13.031 -1.581 9.491 1.00 0.00 C ATOM 404 C SER A 28 14.000 -1.193 8.379 1.00 0.00 C ATOM 405 O SER A 28 14.093 -1.872 7.357 1.00 0.00 O ATOM 406 CB SER A 28 13.822 -2.048 10.718 1.00 0.00 C ATOM 407 OG SER A 28 13.577 -3.416 10.996 1.00 0.00 O ATOM 0 H SER A 28 12.545 -3.545 8.932 1.00 0.00 H new ATOM 0 HA SER A 28 12.437 -0.702 9.740 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.887 -1.894 10.547 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.547 -1.444 11.583 1.00 0.00 H new ATOM 0 HG SER A 28 14.095 -3.688 11.782 1.00 0.00 H new ATOM 413 N VAL A 29 14.736 -0.106 8.604 1.00 0.00 N ATOM 414 CA VAL A 29 15.720 0.376 7.643 1.00 0.00 C ATOM 415 C VAL A 29 17.142 0.219 8.190 1.00 0.00 C ATOM 416 O VAL A 29 17.881 -0.662 7.753 1.00 0.00 O ATOM 417 CB VAL A 29 15.451 1.847 7.212 1.00 0.00 C ATOM 418 CG1 VAL A 29 15.135 2.749 8.402 1.00 0.00 C ATOM 419 CG2 VAL A 29 16.621 2.409 6.410 1.00 0.00 C ATOM 0 H VAL A 29 14.667 0.459 9.450 1.00 0.00 H new ATOM 0 HA VAL A 29 15.623 -0.242 6.750 1.00 0.00 H new ATOM 0 HB VAL A 29 14.569 1.830 6.572 1.00 0.00 H new ATOM 0 HG11 VAL A 29 14.955 3.765 8.051 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.246 2.379 8.913 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.978 2.748 9.093 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.404 3.438 6.123 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.525 2.385 7.019 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.771 1.806 5.514 1.00 0.00 H new ATOM 429 N ASP A 30 17.522 1.055 9.150 1.00 0.00 N ATOM 430 CA ASP A 30 18.848 0.974 9.746 1.00 0.00 C ATOM 431 C ASP A 30 18.796 0.148 11.023 1.00 0.00 C ATOM 432 O ASP A 30 19.446 0.475 12.015 1.00 0.00 O ATOM 433 CB ASP A 30 19.387 2.374 10.040 1.00 0.00 C ATOM 434 CG ASP A 30 20.900 2.402 10.150 1.00 0.00 C ATOM 435 OD1 ASP A 30 21.572 2.345 9.098 1.00 0.00 O ATOM 436 OD2 ASP A 30 21.412 2.482 11.287 1.00 0.00 O ATOM 0 H ASP A 30 16.931 1.794 9.531 1.00 0.00 H new ATOM 0 HA ASP A 30 19.520 0.487 9.040 1.00 0.00 H new ATOM 0 HB2 ASP A 30 19.071 3.055 9.250 1.00 0.00 H new ATOM 0 HB3 ASP A 30 18.951 2.740 10.970 1.00 0.00 H new ATOM 441 N GLY A 31 17.998 -0.914 10.995 1.00 0.00 N ATOM 442 CA GLY A 31 17.853 -1.762 12.160 1.00 0.00 C ATOM 443 C GLY A 31 16.632 -1.389 12.980 1.00 0.00 C ATOM 444 O GLY A 31 16.210 -2.144 13.855 1.00 0.00 O ATOM 0 H GLY A 31 17.449 -1.202 10.185 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.775 -2.803 11.845 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.746 -1.683 12.781 1.00 0.00 H new ATOM 448 N GLU A 32 16.064 -0.220 12.691 1.00 0.00 N ATOM 449 CA GLU A 32 14.884 0.258 13.398 1.00 0.00 C ATOM 450 C GLU A 32 13.860 0.808 12.412 1.00 0.00 C ATOM 451 O GLU A 32 14.171 1.676 11.596 1.00 0.00 O ATOM 452 CB GLU A 32 15.279 1.329 14.416 1.00 0.00 C ATOM 453 CG GLU A 32 16.300 0.846 15.436 1.00 0.00 C ATOM 454 CD GLU A 32 17.077 1.980 16.076 1.00 0.00 C ATOM 455 OE1 GLU A 32 16.467 3.031 16.363 1.00 0.00 O ATOM 456 OE2 GLU A 32 18.297 1.815 16.292 1.00 0.00 O ATOM 0 H GLU A 32 16.406 0.414 11.969 1.00 0.00 H new ATOM 0 HA GLU A 32 14.431 -0.578 13.931 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.685 2.191 13.886 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.386 1.669 14.940 1.00 0.00 H new ATOM 0 HG2 GLU A 32 15.789 0.278 16.214 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.997 0.164 14.950 1.00 0.00 H new ATOM 463 N GLU A 33 12.644 0.284 12.483 1.00 0.00 N ATOM 464 CA GLU A 33 11.574 0.695 11.598 1.00 0.00 C ATOM 465 C GLU A 33 11.319 2.181 11.710 1.00 0.00 C ATOM 466 O GLU A 33 11.049 2.707 12.789 1.00 0.00 O ATOM 467 CB GLU A 33 10.302 -0.098 11.892 1.00 0.00 C ATOM 468 CG GLU A 33 9.814 0.027 13.324 1.00 0.00 C ATOM 469 CD GLU A 33 9.462 -1.317 13.932 1.00 0.00 C ATOM 470 OE1 GLU A 33 8.471 -1.931 13.479 1.00 0.00 O ATOM 471 OE2 GLU A 33 10.176 -1.756 14.856 1.00 0.00 O ATOM 0 H GLU A 33 12.377 -0.435 13.155 1.00 0.00 H new ATOM 0 HA GLU A 33 11.880 0.485 10.573 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.513 0.238 11.219 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.483 -1.150 11.671 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.585 0.505 13.928 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.939 0.676 13.352 1.00 0.00 H new ATOM 478 N PHE A 34 11.442 2.852 10.581 1.00 0.00 N ATOM 479 CA PHE A 34 11.266 4.299 10.491 1.00 0.00 C ATOM 480 C PHE A 34 9.792 4.685 10.362 1.00 0.00 C ATOM 481 O PHE A 34 8.934 4.143 11.059 1.00 0.00 O ATOM 482 CB PHE A 34 12.103 4.828 9.302 1.00 0.00 C ATOM 483 CG PHE A 34 11.725 4.259 7.948 1.00 0.00 C ATOM 484 CD1 PHE A 34 12.016 2.942 7.615 1.00 0.00 C ATOM 485 CD2 PHE A 34 11.085 5.050 7.001 1.00 0.00 C ATOM 486 CE1 PHE A 34 11.671 2.426 6.379 1.00 0.00 C ATOM 487 CE2 PHE A 34 10.740 4.537 5.764 1.00 0.00 C ATOM 488 CZ PHE A 34 11.033 3.225 5.455 1.00 0.00 C ATOM 0 H PHE A 34 11.669 2.410 9.690 1.00 0.00 H new ATOM 0 HA PHE A 34 11.619 4.761 11.413 1.00 0.00 H new ATOM 0 HB2 PHE A 34 12.006 5.913 9.263 1.00 0.00 H new ATOM 0 HB3 PHE A 34 13.154 4.609 9.491 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.520 2.311 8.333 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.854 6.079 7.234 1.00 0.00 H new ATOM 0 HE1 PHE A 34 11.901 1.399 6.138 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.241 5.164 5.040 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.763 2.824 4.489 1.00 0.00 H new ATOM 498 N GLU A 35 9.510 5.599 9.454 1.00 0.00 N ATOM 499 CA GLU A 35 8.146 6.051 9.194 1.00 0.00 C ATOM 500 C GLU A 35 7.337 4.950 8.515 1.00 0.00 C ATOM 501 O GLU A 35 6.290 4.533 9.010 1.00 0.00 O ATOM 502 CB GLU A 35 8.166 7.292 8.299 1.00 0.00 C ATOM 503 CG GLU A 35 8.642 8.549 9.006 1.00 0.00 C ATOM 504 CD GLU A 35 7.747 8.939 10.165 1.00 0.00 C ATOM 505 OE1 GLU A 35 6.553 9.219 9.925 1.00 0.00 O ATOM 506 OE2 GLU A 35 8.239 8.962 11.312 1.00 0.00 O ATOM 0 H GLU A 35 10.215 6.052 8.873 1.00 0.00 H new ATOM 0 HA GLU A 35 7.679 6.297 10.148 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.813 7.101 7.443 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.163 7.463 7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.657 8.394 9.372 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.683 9.370 8.291 1.00 0.00 H new ATOM 513 N GLY A 36 7.842 4.486 7.374 1.00 0.00 N ATOM 514 CA GLY A 36 7.173 3.438 6.625 1.00 0.00 C ATOM 515 C GLY A 36 7.429 2.054 7.187 1.00 0.00 C ATOM 516 O GLY A 36 7.098 1.054 6.552 1.00 0.00 O ATOM 0 H GLY A 36 8.709 4.821 6.954 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.100 3.630 6.621 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.506 3.471 5.588 1.00 0.00 H new ATOM 520 N GLY A 37 8.014 1.989 8.381 1.00 0.00 N ATOM 521 CA GLY A 37 8.293 0.710 8.998 1.00 0.00 C ATOM 522 C GLY A 37 7.056 -0.158 9.158 1.00 0.00 C ATOM 523 O GLY A 37 7.164 -1.336 9.494 1.00 0.00 O ATOM 0 H GLY A 37 8.298 2.801 8.929 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.029 0.176 8.396 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.742 0.876 9.977 1.00 0.00 H new ATOM 527 N LYS A 38 5.881 0.415 8.908 1.00 0.00 N ATOM 528 CA LYS A 38 4.632 -0.328 9.015 1.00 0.00 C ATOM 529 C LYS A 38 3.588 0.238 8.065 1.00 0.00 C ATOM 530 O LYS A 38 3.246 1.420 8.124 1.00 0.00 O ATOM 531 CB LYS A 38 4.100 -0.301 10.445 1.00 0.00 C ATOM 532 CG LYS A 38 4.105 1.083 11.068 1.00 0.00 C ATOM 533 CD LYS A 38 5.376 1.331 11.864 1.00 0.00 C ATOM 534 CE LYS A 38 5.548 0.306 12.977 1.00 0.00 C ATOM 535 NZ LYS A 38 6.594 0.714 13.957 1.00 0.00 N ATOM 0 H LYS A 38 5.770 1.390 8.630 1.00 0.00 H new ATOM 0 HA LYS A 38 4.837 -1.363 8.740 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.082 -0.690 10.453 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.702 -0.970 11.061 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.012 1.836 10.285 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.239 1.193 11.720 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.237 1.293 11.197 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.348 2.333 12.292 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.599 0.171 13.495 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.814 -0.658 12.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.216 -0.095 14.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.157 1.493 13.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.140 1.029 14.838 1.00 0.00 H new ATOM 549 N ALA A 39 3.082 -0.621 7.196 1.00 0.00 N ATOM 550 CA ALA A 39 2.070 -0.236 6.227 1.00 0.00 C ATOM 551 C ALA A 39 0.954 -1.269 6.192 1.00 0.00 C ATOM 552 O ALA A 39 1.197 -2.463 6.361 1.00 0.00 O ATOM 553 CB ALA A 39 2.687 -0.072 4.845 1.00 0.00 C ATOM 0 H ALA A 39 3.360 -1.601 7.142 1.00 0.00 H new ATOM 0 HA ALA A 39 1.648 0.722 6.529 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.914 0.216 4.133 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.455 0.700 4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.135 -1.015 4.532 1.00 0.00 H new ATOM 559 N SER A 40 -0.270 -0.809 5.980 1.00 0.00 N ATOM 560 CA SER A 40 -1.417 -1.707 5.930 1.00 0.00 C ATOM 561 C SER A 40 -2.028 -1.733 4.538 1.00 0.00 C ATOM 562 O SER A 40 -2.051 -2.768 3.876 1.00 0.00 O ATOM 563 CB SER A 40 -2.471 -1.286 6.956 1.00 0.00 C ATOM 564 OG SER A 40 -2.289 -1.971 8.184 1.00 0.00 O ATOM 0 H SER A 40 -0.495 0.176 5.840 1.00 0.00 H new ATOM 0 HA SER A 40 -1.068 -2.711 6.172 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.411 -0.211 7.123 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.467 -1.493 6.565 1.00 0.00 H new ATOM 0 HG SER A 40 -2.974 -1.683 8.824 1.00 0.00 H new ATOM 570 N ASP A 41 -2.471 -0.578 4.071 1.00 0.00 N ATOM 571 CA ASP A 41 -3.019 -0.442 2.739 1.00 0.00 C ATOM 572 C ASP A 41 -1.979 0.208 1.848 1.00 0.00 C ATOM 573 O ASP A 41 -2.128 1.364 1.452 1.00 0.00 O ATOM 574 CB ASP A 41 -4.298 0.397 2.763 1.00 0.00 C ATOM 575 CG ASP A 41 -5.315 -0.124 3.758 1.00 0.00 C ATOM 576 OD1 ASP A 41 -5.683 -1.313 3.662 1.00 0.00 O ATOM 577 OD2 ASP A 41 -5.742 0.657 4.634 1.00 0.00 O ATOM 0 H ASP A 41 -2.459 0.290 4.607 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.274 -1.428 2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.047 1.428 3.011 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.741 0.407 1.767 1.00 0.00 H new ATOM 582 N PHE A 42 -0.927 -0.520 1.527 1.00 0.00 N ATOM 583 CA PHE A 42 0.118 0.027 0.672 1.00 0.00 C ATOM 584 C PHE A 42 -0.171 -0.315 -0.779 1.00 0.00 C ATOM 585 O PHE A 42 0.017 -1.452 -1.212 1.00 0.00 O ATOM 586 CB PHE A 42 1.501 -0.493 1.081 1.00 0.00 C ATOM 587 CG PHE A 42 2.641 0.265 0.453 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.626 1.650 0.402 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.729 -0.405 -0.089 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.672 2.351 -0.174 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.775 0.290 -0.664 1.00 0.00 C ATOM 592 CZ PHE A 42 4.747 1.668 -0.708 1.00 0.00 C ATOM 0 H PHE A 42 -0.770 -1.479 1.838 1.00 0.00 H new ATOM 0 HA PHE A 42 0.124 1.111 0.789 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.594 -0.439 2.166 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.580 -1.545 0.806 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.787 2.190 0.817 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.758 -1.484 -0.061 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.647 3.430 -0.206 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.615 -0.246 -1.079 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.564 2.212 -1.159 1.00 0.00 H new ATOM 602 N VAL A 43 -0.635 0.678 -1.529 1.00 0.00 N ATOM 603 CA VAL A 43 -0.956 0.491 -2.927 1.00 0.00 C ATOM 604 C VAL A 43 0.303 0.526 -3.783 1.00 0.00 C ATOM 605 O VAL A 43 0.812 1.592 -4.124 1.00 0.00 O ATOM 606 CB VAL A 43 -1.942 1.571 -3.406 1.00 0.00 C ATOM 607 CG1 VAL A 43 -1.305 2.954 -3.356 1.00 0.00 C ATOM 608 CG2 VAL A 43 -2.449 1.253 -4.805 1.00 0.00 C ATOM 0 H VAL A 43 -0.796 1.624 -1.184 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.424 -0.488 -3.034 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.796 1.575 -2.729 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.023 3.698 -3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.009 3.181 -2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.426 2.973 -4.001 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.145 2.029 -5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.607 1.213 -5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.959 0.289 -4.797 1.00 0.00 H new ATOM 618 N LEU A 44 0.807 -0.651 -4.115 1.00 0.00 N ATOM 619 CA LEU A 44 2.011 -0.756 -4.918 1.00 0.00 C ATOM 620 C LEU A 44 1.675 -0.798 -6.400 1.00 0.00 C ATOM 621 O LEU A 44 0.745 -1.486 -6.813 1.00 0.00 O ATOM 622 CB LEU A 44 2.802 -2.000 -4.524 1.00 0.00 C ATOM 623 CG LEU A 44 4.260 -1.740 -4.147 1.00 0.00 C ATOM 624 CD1 LEU A 44 5.009 -3.049 -4.002 1.00 0.00 C ATOM 625 CD2 LEU A 44 4.930 -0.851 -5.186 1.00 0.00 C ATOM 0 H LEU A 44 0.401 -1.545 -3.841 1.00 0.00 H new ATOM 0 HA LEU A 44 2.621 0.127 -4.731 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.303 -2.479 -3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.776 -2.707 -5.353 1.00 0.00 H new ATOM 0 HG LEU A 44 4.283 -1.222 -3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.046 -2.847 -3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.543 -3.651 -3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.978 -3.592 -4.946 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.968 -0.677 -4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.898 -1.341 -6.159 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.404 0.102 -5.243 1.00 0.00 H new ATOM 637 N ALA A 45 2.447 -0.064 -7.191 1.00 0.00 N ATOM 638 CA ALA A 45 2.243 -0.018 -8.632 1.00 0.00 C ATOM 639 C ALA A 45 3.252 -0.913 -9.345 1.00 0.00 C ATOM 640 O ALA A 45 4.428 -0.567 -9.459 1.00 0.00 O ATOM 641 CB ALA A 45 2.361 1.412 -9.135 1.00 0.00 C ATOM 0 H ALA A 45 3.222 0.509 -6.857 1.00 0.00 H new ATOM 0 HA ALA A 45 1.240 -0.386 -8.850 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.206 1.432 -10.214 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.608 2.032 -8.649 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.354 1.798 -8.903 1.00 0.00 H new ATOM 647 N MET A 46 2.791 -2.065 -9.815 1.00 0.00 N ATOM 648 CA MET A 46 3.662 -3.006 -10.507 1.00 0.00 C ATOM 649 C MET A 46 4.093 -2.470 -11.867 1.00 0.00 C ATOM 650 O MET A 46 3.542 -2.847 -12.901 1.00 0.00 O ATOM 651 CB MET A 46 2.971 -4.360 -10.659 1.00 0.00 C ATOM 652 CG MET A 46 3.599 -5.443 -9.802 1.00 0.00 C ATOM 653 SD MET A 46 4.762 -6.467 -10.724 1.00 0.00 S ATOM 654 CE MET A 46 5.881 -5.218 -11.356 1.00 0.00 C ATOM 0 H MET A 46 1.821 -2.370 -9.730 1.00 0.00 H new ATOM 0 HA MET A 46 4.560 -3.136 -9.902 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.919 -4.257 -10.393 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.007 -4.665 -11.705 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.115 -4.982 -8.960 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.813 -6.075 -9.387 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.826 -5.684 -11.634 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.439 -4.743 -12.232 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.059 -4.467 -10.587 1.00 0.00 H new ATOM 664 N GLY A 47 5.096 -1.599 -11.845 1.00 0.00 N ATOM 665 CA GLY A 47 5.616 -1.022 -13.072 1.00 0.00 C ATOM 666 C GLY A 47 5.111 0.384 -13.333 1.00 0.00 C ATOM 667 O GLY A 47 4.404 0.626 -14.312 1.00 0.00 O ATOM 0 H GLY A 47 5.561 -1.281 -10.995 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.705 -1.007 -13.026 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.341 -1.661 -13.911 1.00 0.00 H new ATOM 671 N GLN A 48 5.485 1.319 -12.465 1.00 0.00 N ATOM 672 CA GLN A 48 5.079 2.711 -12.616 1.00 0.00 C ATOM 673 C GLN A 48 6.305 3.614 -12.704 1.00 0.00 C ATOM 674 O GLN A 48 6.558 4.238 -13.734 1.00 0.00 O ATOM 675 CB GLN A 48 4.193 3.142 -11.446 1.00 0.00 C ATOM 676 CG GLN A 48 3.133 4.162 -11.830 1.00 0.00 C ATOM 677 CD GLN A 48 2.963 5.249 -10.786 1.00 0.00 C ATOM 678 OE1 GLN A 48 2.722 4.845 -9.544 1.00 0.00 O flip ATOM 679 NE2 GLN A 48 3.046 6.438 -11.092 1.00 0.00 N flip ATOM 0 H GLN A 48 6.069 1.137 -11.649 1.00 0.00 H new ATOM 0 HA GLN A 48 4.506 2.803 -13.539 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.704 2.262 -11.028 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.821 3.561 -10.660 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.401 4.618 -12.783 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.181 3.653 -11.977 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.233 6.704 -12.059 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.928 7.158 -10.379 1.00 0.00 H new ATOM 688 N GLY A 49 7.069 3.666 -11.617 1.00 0.00 N ATOM 689 CA GLY A 49 8.269 4.479 -11.591 1.00 0.00 C ATOM 690 C GLY A 49 9.516 3.652 -11.824 1.00 0.00 C ATOM 691 O GLY A 49 10.313 3.952 -12.712 1.00 0.00 O ATOM 0 H GLY A 49 6.877 3.158 -10.753 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.199 5.254 -12.354 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.344 4.985 -10.629 1.00 0.00 H new ATOM 695 N ARG A 50 9.678 2.601 -11.025 1.00 0.00 N ATOM 696 CA ARG A 50 10.831 1.713 -11.141 1.00 0.00 C ATOM 697 C ARG A 50 10.794 0.640 -10.058 1.00 0.00 C ATOM 698 O ARG A 50 11.654 0.605 -9.176 1.00 0.00 O ATOM 699 CB ARG A 50 12.135 2.502 -11.033 1.00 0.00 C ATOM 700 CG ARG A 50 12.310 3.196 -9.690 1.00 0.00 C ATOM 701 CD ARG A 50 13.685 2.936 -9.084 1.00 0.00 C ATOM 702 NE ARG A 50 14.703 2.670 -10.100 1.00 0.00 N ATOM 703 CZ ARG A 50 15.040 3.528 -11.061 1.00 0.00 C ATOM 704 NH1 ARG A 50 14.464 4.722 -11.129 1.00 0.00 N ATOM 705 NH2 ARG A 50 15.961 3.195 -11.952 1.00 0.00 N ATOM 0 H ARG A 50 9.023 2.343 -10.287 1.00 0.00 H new ATOM 0 HA ARG A 50 10.786 1.234 -12.119 1.00 0.00 H new ATOM 0 HB2 ARG A 50 12.975 1.827 -11.197 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.167 3.249 -11.827 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.167 4.269 -9.816 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.539 2.850 -9.001 1.00 0.00 H new ATOM 0 HD2 ARG A 50 13.986 3.799 -8.490 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.624 2.086 -8.404 1.00 0.00 H new ATOM 0 HE ARG A 50 15.185 1.771 -10.071 1.00 0.00 H new ATOM 0 HH11 ARG A 50 13.758 4.988 -10.442 1.00 0.00 H new ATOM 0 HH12 ARG A 50 14.727 5.374 -11.868 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.412 2.282 -11.902 1.00 0.00 H new ATOM 0 HH22 ARG A 50 16.219 3.852 -12.688 1.00 0.00 H new ATOM 719 N MET A 51 9.795 -0.234 -10.126 1.00 0.00 N ATOM 720 CA MET A 51 9.651 -1.308 -9.146 1.00 0.00 C ATOM 721 C MET A 51 10.992 -1.985 -8.873 1.00 0.00 C ATOM 722 O MET A 51 11.543 -2.666 -9.737 1.00 0.00 O ATOM 723 CB MET A 51 8.634 -2.342 -9.631 1.00 0.00 C ATOM 724 CG MET A 51 7.918 -3.062 -8.500 1.00 0.00 C ATOM 725 SD MET A 51 6.319 -2.326 -8.107 1.00 0.00 S ATOM 726 CE MET A 51 6.803 -0.650 -7.704 1.00 0.00 C ATOM 0 H MET A 51 9.074 -0.221 -10.847 1.00 0.00 H new ATOM 0 HA MET A 51 9.293 -0.866 -8.216 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.896 -1.846 -10.261 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.143 -3.077 -10.255 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.775 -4.107 -8.774 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.548 -3.049 -7.610 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.914 -0.056 -7.491 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.452 -0.659 -6.828 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.338 -0.213 -8.547 1.00 0.00 H new ATOM 736 N ILE A 52 11.508 -1.793 -7.663 1.00 0.00 N ATOM 737 CA ILE A 52 12.781 -2.391 -7.274 1.00 0.00 C ATOM 738 C ILE A 52 12.650 -3.905 -7.159 1.00 0.00 C ATOM 739 O ILE A 52 11.555 -4.424 -6.943 1.00 0.00 O ATOM 740 CB ILE A 52 13.318 -1.828 -5.934 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.174 -1.490 -4.969 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.186 -0.605 -6.182 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.644 -1.102 -3.582 1.00 0.00 C ATOM 0 H ILE A 52 11.066 -1.230 -6.937 1.00 0.00 H new ATOM 0 HA ILE A 52 13.493 -2.135 -8.058 1.00 0.00 H new ATOM 0 HB ILE A 52 13.928 -2.602 -5.467 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.588 -0.672 -5.387 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.510 -2.351 -4.891 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.555 -0.222 -5.231 1.00 0.00 H new ATOM 0 HG22 ILE A 52 15.030 -0.880 -6.815 1.00 0.00 H new ATOM 0 HG23 ILE A 52 13.596 0.165 -6.679 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.781 -0.877 -2.955 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.205 -1.927 -3.144 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.284 -0.222 -3.648 1.00 0.00 H new ATOM 755 N PRO A 53 13.768 -4.639 -7.293 1.00 0.00 N ATOM 756 CA PRO A 53 13.761 -6.098 -7.191 1.00 0.00 C ATOM 757 C PRO A 53 13.113 -6.565 -5.894 1.00 0.00 C ATOM 758 O PRO A 53 12.609 -7.684 -5.803 1.00 0.00 O ATOM 759 CB PRO A 53 15.245 -6.471 -7.209 1.00 0.00 C ATOM 760 CG PRO A 53 15.917 -5.329 -7.893 1.00 0.00 C ATOM 761 CD PRO A 53 15.119 -4.104 -7.541 1.00 0.00 C ATOM 0 HA PRO A 53 13.189 -6.564 -7.993 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.630 -6.609 -6.199 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.411 -7.406 -7.744 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.950 -5.230 -7.561 1.00 0.00 H new ATOM 0 HG3 PRO A 53 15.942 -5.481 -8.972 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.520 -3.602 -6.661 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.121 -3.376 -8.352 1.00 0.00 H new ATOM 769 N GLY A 54 13.130 -5.692 -4.893 1.00 0.00 N ATOM 770 CA GLY A 54 12.546 -6.015 -3.611 1.00 0.00 C ATOM 771 C GLY A 54 11.046 -6.216 -3.684 1.00 0.00 C ATOM 772 O GLY A 54 10.540 -7.298 -3.378 1.00 0.00 O ATOM 0 H GLY A 54 13.542 -4.761 -4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 54 13.011 -6.921 -3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.767 -5.215 -2.904 1.00 0.00 H new ATOM 776 N PHE A 55 10.331 -5.173 -4.092 1.00 0.00 N ATOM 777 CA PHE A 55 8.886 -5.248 -4.202 1.00 0.00 C ATOM 778 C PHE A 55 8.482 -6.123 -5.377 1.00 0.00 C ATOM 779 O PHE A 55 7.622 -6.994 -5.252 1.00 0.00 O ATOM 780 CB PHE A 55 8.278 -3.856 -4.383 1.00 0.00 C ATOM 781 CG PHE A 55 8.261 -3.008 -3.139 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.375 -3.271 -2.101 1.00 0.00 C ATOM 783 CD2 PHE A 55 9.127 -1.934 -3.017 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.356 -2.479 -0.973 1.00 0.00 C ATOM 785 CE2 PHE A 55 9.113 -1.140 -1.887 1.00 0.00 C ATOM 786 CZ PHE A 55 8.226 -1.414 -0.865 1.00 0.00 C ATOM 0 H PHE A 55 10.730 -4.271 -4.350 1.00 0.00 H new ATOM 0 HA PHE A 55 8.509 -5.685 -3.277 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.836 -3.329 -5.157 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.256 -3.966 -4.745 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.694 -4.105 -2.179 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.821 -1.715 -3.815 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.661 -2.692 -0.175 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.795 -0.306 -1.803 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.213 -0.794 0.019 1.00 0.00 H new ATOM 796 N GLU A 56 9.113 -5.882 -6.522 1.00 0.00 N ATOM 797 CA GLU A 56 8.830 -6.647 -7.730 1.00 0.00 C ATOM 798 C GLU A 56 8.880 -8.147 -7.449 1.00 0.00 C ATOM 799 O GLU A 56 8.268 -8.945 -8.158 1.00 0.00 O ATOM 800 CB GLU A 56 9.827 -6.277 -8.829 1.00 0.00 C ATOM 801 CG GLU A 56 9.409 -6.733 -10.216 1.00 0.00 C ATOM 802 CD GLU A 56 10.470 -7.576 -10.893 1.00 0.00 C ATOM 803 OE1 GLU A 56 11.442 -6.996 -11.423 1.00 0.00 O ATOM 804 OE2 GLU A 56 10.334 -8.818 -10.890 1.00 0.00 O ATOM 0 H GLU A 56 9.825 -5.161 -6.638 1.00 0.00 H new ATOM 0 HA GLU A 56 7.823 -6.400 -8.067 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.959 -5.195 -8.837 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.796 -6.715 -8.590 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.485 -7.307 -10.143 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.195 -5.860 -10.833 1.00 0.00 H new ATOM 811 N ASP A 57 9.614 -8.519 -6.401 1.00 0.00 N ATOM 812 CA ASP A 57 9.744 -9.917 -6.017 1.00 0.00 C ATOM 813 C ASP A 57 8.511 -10.399 -5.259 1.00 0.00 C ATOM 814 O ASP A 57 7.659 -11.083 -5.821 1.00 0.00 O ATOM 815 CB ASP A 57 10.995 -10.114 -5.156 1.00 0.00 C ATOM 816 CG ASP A 57 12.133 -10.749 -5.929 1.00 0.00 C ATOM 817 OD1 ASP A 57 11.904 -11.797 -6.569 1.00 0.00 O ATOM 818 OD2 ASP A 57 13.255 -10.200 -5.893 1.00 0.00 O ATOM 0 H ASP A 57 10.126 -7.869 -5.805 1.00 0.00 H new ATOM 0 HA ASP A 57 9.836 -10.508 -6.928 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.319 -9.150 -4.764 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.748 -10.740 -4.298 1.00 0.00 H new ATOM 823 N GLY A 58 8.431 -10.055 -3.972 1.00 0.00 N ATOM 824 CA GLY A 58 7.306 -10.486 -3.157 1.00 0.00 C ATOM 825 C GLY A 58 5.985 -9.951 -3.657 1.00 0.00 C ATOM 826 O GLY A 58 5.046 -10.710 -3.893 1.00 0.00 O ATOM 0 H GLY A 58 9.123 -9.488 -3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.270 -11.575 -3.142 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.461 -10.158 -2.129 1.00 0.00 H new ATOM 830 N ILE A 59 5.915 -8.639 -3.814 1.00 0.00 N ATOM 831 CA ILE A 59 4.720 -7.970 -4.282 1.00 0.00 C ATOM 832 C ILE A 59 4.617 -8.021 -5.795 1.00 0.00 C ATOM 833 O ILE A 59 4.131 -7.091 -6.440 1.00 0.00 O ATOM 834 CB ILE A 59 4.726 -6.512 -3.803 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.132 -6.450 -2.330 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.370 -5.870 -4.018 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.623 -6.489 -2.102 1.00 0.00 C ATOM 0 H ILE A 59 6.692 -8.008 -3.618 1.00 0.00 H new ATOM 0 HA ILE A 59 3.853 -8.487 -3.870 1.00 0.00 H new ATOM 0 HB ILE A 59 5.455 -5.953 -4.389 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.732 -5.536 -1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.672 -7.285 -1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.397 -4.837 -3.671 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.122 -5.890 -5.079 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.614 -6.421 -3.458 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.829 -6.441 -1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.029 -7.415 -2.509 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.090 -5.639 -2.600 1.00 0.00 H new ATOM 849 N LYS A 60 5.017 -9.161 -6.326 1.00 0.00 N ATOM 850 CA LYS A 60 4.902 -9.393 -7.754 1.00 0.00 C ATOM 851 C LYS A 60 3.468 -9.026 -8.129 1.00 0.00 C ATOM 852 O LYS A 60 3.213 -8.263 -9.058 1.00 0.00 O ATOM 853 CB LYS A 60 5.217 -10.850 -8.125 1.00 0.00 C ATOM 854 CG LYS A 60 4.742 -11.880 -7.106 1.00 0.00 C ATOM 855 CD LYS A 60 5.801 -12.947 -6.861 1.00 0.00 C ATOM 856 CE LYS A 60 5.899 -13.317 -5.389 1.00 0.00 C ATOM 857 NZ LYS A 60 6.626 -14.602 -5.191 1.00 0.00 N ATOM 0 H LYS A 60 5.421 -9.934 -5.797 1.00 0.00 H new ATOM 0 HA LYS A 60 5.624 -8.788 -8.302 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.759 -11.073 -9.089 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.294 -10.954 -8.252 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.501 -11.381 -6.167 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.825 -12.350 -7.461 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.563 -13.836 -7.444 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.768 -12.586 -7.210 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.411 -12.522 -4.847 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.897 -13.397 -4.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.940 -15.370 -5.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.200 -14.809 -6.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.246 -14.526 -4.359 1.00 0.00 H new ATOM 871 N GLY A 61 2.544 -9.621 -7.380 1.00 0.00 N ATOM 872 CA GLY A 61 1.128 -9.423 -7.592 1.00 0.00 C ATOM 873 C GLY A 61 0.511 -10.677 -8.151 1.00 0.00 C ATOM 874 O GLY A 61 -0.289 -10.644 -9.084 1.00 0.00 O ATOM 0 H GLY A 61 2.764 -10.253 -6.610 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.645 -9.158 -6.652 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.967 -8.592 -8.278 1.00 0.00 H new ATOM 878 N HIS A 62 0.916 -11.800 -7.571 1.00 0.00 N ATOM 879 CA HIS A 62 0.431 -13.107 -8.016 1.00 0.00 C ATOM 880 C HIS A 62 -0.202 -13.908 -6.877 1.00 0.00 C ATOM 881 O HIS A 62 -0.491 -15.093 -7.036 1.00 0.00 O ATOM 882 CB HIS A 62 1.581 -13.908 -8.635 1.00 0.00 C ATOM 883 CG HIS A 62 2.505 -14.523 -7.625 1.00 0.00 C ATOM 884 ND1 HIS A 62 3.329 -15.591 -7.911 1.00 0.00 N ATOM 885 CD2 HIS A 62 2.731 -14.216 -6.325 1.00 0.00 C ATOM 886 CE1 HIS A 62 4.020 -15.915 -6.833 1.00 0.00 C ATOM 887 NE2 HIS A 62 3.675 -15.097 -5.857 1.00 0.00 N ATOM 0 H HIS A 62 1.576 -11.836 -6.794 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.343 -12.929 -8.763 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.165 -14.698 -9.261 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.157 -13.253 -9.289 1.00 0.00 H new ATOM 0 HD1 HIS A 62 3.395 -16.058 -8.815 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.257 -13.426 -5.762 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.744 -16.713 -6.762 1.00 0.00 H new ATOM 895 N LYS A 63 -0.409 -13.268 -5.734 1.00 0.00 N ATOM 896 CA LYS A 63 -0.997 -13.947 -4.587 1.00 0.00 C ATOM 897 C LYS A 63 -1.908 -13.013 -3.796 1.00 0.00 C ATOM 898 O LYS A 63 -1.497 -12.430 -2.794 1.00 0.00 O ATOM 899 CB LYS A 63 0.102 -14.485 -3.676 1.00 0.00 C ATOM 900 CG LYS A 63 0.815 -15.711 -4.223 1.00 0.00 C ATOM 901 CD LYS A 63 0.378 -16.975 -3.500 1.00 0.00 C ATOM 902 CE LYS A 63 1.545 -17.923 -3.275 1.00 0.00 C ATOM 903 NZ LYS A 63 1.149 -19.345 -3.469 1.00 0.00 N ATOM 0 H LYS A 63 -0.180 -12.287 -5.576 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.598 -14.775 -4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.836 -13.697 -3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.332 -14.732 -2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.608 -15.809 -5.289 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.893 -15.584 -4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.067 -16.711 -2.541 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.394 -17.479 -4.081 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.353 -17.674 -3.963 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.933 -17.788 -2.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.972 -19.960 -3.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.395 -19.590 -2.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.803 -19.479 -4.440 1.00 0.00 H new ATOM 917 N ALA A 64 -3.155 -12.902 -4.237 1.00 0.00 N ATOM 918 CA ALA A 64 -4.138 -12.068 -3.560 1.00 0.00 C ATOM 919 C ALA A 64 -4.372 -12.530 -2.120 1.00 0.00 C ATOM 920 O ALA A 64 -5.196 -13.412 -1.873 1.00 0.00 O ATOM 921 CB ALA A 64 -5.442 -12.058 -4.342 1.00 0.00 C ATOM 0 H ALA A 64 -3.510 -13.382 -5.064 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.745 -11.052 -3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.170 -11.431 -3.827 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.264 -11.661 -5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.828 -13.074 -4.419 1.00 0.00 H new ATOM 927 N GLY A 65 -3.660 -11.927 -1.169 1.00 0.00 N ATOM 928 CA GLY A 65 -3.827 -12.297 0.229 1.00 0.00 C ATOM 929 C GLY A 65 -2.690 -13.154 0.755 1.00 0.00 C ATOM 930 O GLY A 65 -2.907 -14.061 1.556 1.00 0.00 O ATOM 0 H GLY A 65 -2.973 -11.192 -1.340 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.902 -11.392 0.832 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.766 -12.837 0.347 1.00 0.00 H new ATOM 934 N GLU A 66 -1.477 -12.871 0.294 1.00 0.00 N ATOM 935 CA GLU A 66 -0.298 -13.626 0.713 1.00 0.00 C ATOM 936 C GLU A 66 0.479 -12.902 1.810 1.00 0.00 C ATOM 937 O GLU A 66 0.266 -11.717 2.057 1.00 0.00 O ATOM 938 CB GLU A 66 0.602 -13.873 -0.500 1.00 0.00 C ATOM 939 CG GLU A 66 1.820 -14.745 -0.225 1.00 0.00 C ATOM 940 CD GLU A 66 1.454 -16.159 0.188 1.00 0.00 C ATOM 941 OE1 GLU A 66 0.272 -16.402 0.507 1.00 0.00 O ATOM 942 OE2 GLU A 66 2.353 -17.026 0.189 1.00 0.00 O ATOM 0 H GLU A 66 -1.282 -12.123 -0.371 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.631 -14.578 1.127 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.008 -14.340 -1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.941 -12.911 -0.885 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.443 -14.783 -1.119 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.419 -14.286 0.561 1.00 0.00 H new ATOM 949 N GLU A 67 1.393 -13.629 2.451 1.00 0.00 N ATOM 950 CA GLU A 67 2.234 -13.076 3.509 1.00 0.00 C ATOM 951 C GLU A 67 3.692 -13.459 3.262 1.00 0.00 C ATOM 952 O GLU A 67 4.068 -14.622 3.407 1.00 0.00 O ATOM 953 CB GLU A 67 1.779 -13.585 4.878 1.00 0.00 C ATOM 954 CG GLU A 67 0.323 -13.281 5.188 1.00 0.00 C ATOM 955 CD GLU A 67 -0.302 -14.303 6.119 1.00 0.00 C ATOM 956 OE1 GLU A 67 -0.428 -15.477 5.713 1.00 0.00 O ATOM 957 OE2 GLU A 67 -0.665 -13.928 7.254 1.00 0.00 O ATOM 0 H GLU A 67 1.570 -14.614 2.252 1.00 0.00 H new ATOM 0 HA GLU A 67 2.142 -11.990 3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.934 -14.663 4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.407 -13.138 5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.251 -12.292 5.640 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.244 -13.249 4.257 1.00 0.00 H new ATOM 964 N PHE A 68 4.506 -12.483 2.858 1.00 0.00 N ATOM 965 CA PHE A 68 5.914 -12.739 2.555 1.00 0.00 C ATOM 966 C PHE A 68 6.802 -11.599 3.036 1.00 0.00 C ATOM 967 O PHE A 68 6.324 -10.522 3.378 1.00 0.00 O ATOM 968 CB PHE A 68 6.094 -12.924 1.056 1.00 0.00 C ATOM 969 CG PHE A 68 5.473 -11.811 0.279 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.146 -10.615 0.111 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.207 -11.950 -0.257 1.00 0.00 C ATOM 972 CE1 PHE A 68 5.566 -9.574 -0.588 1.00 0.00 C ATOM 973 CE2 PHE A 68 3.621 -10.916 -0.953 1.00 0.00 C ATOM 974 CZ PHE A 68 4.298 -9.726 -1.121 1.00 0.00 C ATOM 0 H PHE A 68 4.216 -11.513 2.734 1.00 0.00 H new ATOM 0 HA PHE A 68 6.210 -13.648 3.079 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.157 -12.981 0.822 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.650 -13.872 0.751 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.134 -10.493 0.530 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.671 -12.879 -0.129 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.100 -8.645 -0.718 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.631 -11.037 -1.367 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.840 -8.915 -1.667 1.00 0.00 H new ATOM 984 N THR A 69 8.106 -11.840 3.053 1.00 0.00 N ATOM 985 CA THR A 69 9.060 -10.827 3.482 1.00 0.00 C ATOM 986 C THR A 69 10.131 -10.610 2.422 1.00 0.00 C ATOM 987 O THR A 69 10.758 -11.566 1.963 1.00 0.00 O ATOM 988 CB THR A 69 9.712 -11.242 4.802 1.00 0.00 C ATOM 989 OG1 THR A 69 8.727 -11.525 5.781 1.00 0.00 O ATOM 990 CG2 THR A 69 10.636 -10.188 5.371 1.00 0.00 C ATOM 0 H THR A 69 8.527 -12.727 2.775 1.00 0.00 H new ATOM 0 HA THR A 69 8.521 -9.891 3.627 1.00 0.00 H new ATOM 0 HB THR A 69 10.301 -12.129 4.567 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.164 -11.790 6.617 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.065 -10.547 6.307 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.437 -9.984 4.660 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.074 -9.273 5.557 1.00 0.00 H new ATOM 998 N ILE A 70 10.343 -9.355 2.030 1.00 0.00 N ATOM 999 CA ILE A 70 11.347 -9.052 1.023 1.00 0.00 C ATOM 1000 C ILE A 70 12.200 -7.871 1.442 1.00 0.00 C ATOM 1001 O ILE A 70 11.866 -7.147 2.379 1.00 0.00 O ATOM 1002 CB ILE A 70 10.712 -8.760 -0.356 1.00 0.00 C ATOM 1003 CG1 ILE A 70 9.934 -7.437 -0.335 1.00 0.00 C ATOM 1004 CG2 ILE A 70 9.807 -9.907 -0.779 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.706 -7.460 0.544 1.00 0.00 C ATOM 0 H ILE A 70 9.839 -8.545 2.391 1.00 0.00 H new ATOM 0 HA ILE A 70 11.975 -9.938 0.933 1.00 0.00 H new ATOM 0 HB ILE A 70 11.516 -8.666 -1.086 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.598 -6.643 0.006 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.635 -7.187 -1.353 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.368 -9.685 -1.752 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.390 -10.825 -0.845 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.013 -10.034 -0.043 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.212 -6.489 0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.020 -8.230 0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.998 -7.677 1.571 1.00 0.00 H new ATOM 1017 N ASP A 71 13.284 -7.661 0.716 1.00 0.00 N ATOM 1018 CA ASP A 71 14.167 -6.544 0.985 1.00 0.00 C ATOM 1019 C ASP A 71 13.759 -5.385 0.098 1.00 0.00 C ATOM 1020 O ASP A 71 13.257 -5.596 -1.002 1.00 0.00 O ATOM 1021 CB ASP A 71 15.625 -6.926 0.715 1.00 0.00 C ATOM 1022 CG ASP A 71 16.286 -7.572 1.916 1.00 0.00 C ATOM 1023 OD1 ASP A 71 16.123 -8.796 2.096 1.00 0.00 O ATOM 1024 OD2 ASP A 71 16.969 -6.851 2.675 1.00 0.00 O ATOM 0 H ASP A 71 13.573 -8.251 -0.065 1.00 0.00 H new ATOM 0 HA ASP A 71 14.085 -6.261 2.034 1.00 0.00 H new ATOM 0 HB2 ASP A 71 15.667 -7.611 -0.132 1.00 0.00 H new ATOM 0 HB3 ASP A 71 16.185 -6.035 0.432 1.00 0.00 H new ATOM 1029 N VAL A 72 13.977 -4.167 0.556 1.00 0.00 N ATOM 1030 CA VAL A 72 13.626 -3.001 -0.244 1.00 0.00 C ATOM 1031 C VAL A 72 14.608 -1.866 -0.014 1.00 0.00 C ATOM 1032 O VAL A 72 14.905 -1.506 1.124 1.00 0.00 O ATOM 1033 CB VAL A 72 12.197 -2.498 0.049 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.172 -3.288 -0.753 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.890 -2.564 1.539 1.00 0.00 C ATOM 0 H VAL A 72 14.390 -3.957 1.465 1.00 0.00 H new ATOM 0 HA VAL A 72 13.671 -3.320 -1.285 1.00 0.00 H new ATOM 0 HB VAL A 72 12.137 -1.454 -0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.172 -2.917 -0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.374 -3.171 -1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.235 -4.343 -0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.877 -2.204 1.718 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.975 -3.595 1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.598 -1.940 2.084 1.00 0.00 H new ATOM 1045 N THR A 73 15.097 -1.288 -1.100 1.00 0.00 N ATOM 1046 CA THR A 73 16.032 -0.176 -1.031 1.00 0.00 C ATOM 1047 C THR A 73 15.829 0.705 -2.250 1.00 0.00 C ATOM 1048 O THR A 73 15.953 0.243 -3.386 1.00 0.00 O ATOM 1049 CB THR A 73 17.483 -0.677 -0.975 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.790 -1.222 0.299 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.501 0.406 -1.268 1.00 0.00 C ATOM 0 H THR A 73 14.859 -1.575 -2.049 1.00 0.00 H new ATOM 0 HA THR A 73 15.844 0.394 -0.121 1.00 0.00 H new ATOM 0 HB THR A 73 17.548 -1.440 -1.751 1.00 0.00 H new ATOM 0 HG1 THR A 73 16.968 -1.303 0.827 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.505 -0.014 -1.212 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.330 0.806 -2.268 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.401 1.207 -0.535 1.00 0.00 H new ATOM 1059 N PHE A 74 15.505 1.965 -2.023 1.00 0.00 N ATOM 1060 CA PHE A 74 15.274 2.892 -3.115 1.00 0.00 C ATOM 1061 C PHE A 74 16.578 3.524 -3.596 1.00 0.00 C ATOM 1062 O PHE A 74 17.373 4.013 -2.793 1.00 0.00 O ATOM 1063 CB PHE A 74 14.270 3.950 -2.677 1.00 0.00 C ATOM 1064 CG PHE A 74 12.888 3.388 -2.503 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.653 2.338 -1.624 1.00 0.00 C ATOM 1066 CD2 PHE A 74 11.830 3.897 -3.228 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.380 1.813 -1.477 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.557 3.380 -3.086 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.331 2.336 -2.209 1.00 0.00 C ATOM 0 H PHE A 74 15.396 2.369 -1.093 1.00 0.00 H new ATOM 0 HA PHE A 74 14.861 2.344 -3.962 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.600 4.394 -1.738 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.244 4.751 -3.416 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.471 1.927 -1.050 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.000 4.712 -3.917 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.207 0.996 -0.792 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.739 3.791 -3.660 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.337 1.930 -2.096 1.00 0.00 H new ATOM 1079 N PRO A 75 16.820 3.515 -4.919 1.00 0.00 N ATOM 1080 CA PRO A 75 18.041 4.082 -5.503 1.00 0.00 C ATOM 1081 C PRO A 75 18.116 5.599 -5.370 1.00 0.00 C ATOM 1082 O PRO A 75 17.174 6.244 -4.911 1.00 0.00 O ATOM 1083 CB PRO A 75 17.949 3.690 -6.980 1.00 0.00 C ATOM 1084 CG PRO A 75 16.496 3.483 -7.231 1.00 0.00 C ATOM 1085 CD PRO A 75 15.930 2.945 -5.950 1.00 0.00 C ATOM 0 HA PRO A 75 18.931 3.710 -4.996 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.353 4.472 -7.622 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.518 2.783 -7.184 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.011 4.418 -7.510 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.337 2.784 -8.052 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.896 3.257 -5.805 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.940 1.855 -5.932 1.00 0.00 H new ATOM 1093 N GLU A 76 19.249 6.161 -5.781 1.00 0.00 N ATOM 1094 CA GLU A 76 19.460 7.603 -5.718 1.00 0.00 C ATOM 1095 C GLU A 76 18.597 8.332 -6.748 1.00 0.00 C ATOM 1096 O GLU A 76 18.445 9.553 -6.688 1.00 0.00 O ATOM 1097 CB GLU A 76 20.939 7.933 -5.947 1.00 0.00 C ATOM 1098 CG GLU A 76 21.604 8.600 -4.755 1.00 0.00 C ATOM 1099 CD GLU A 76 21.871 7.634 -3.617 1.00 0.00 C ATOM 1100 OE1 GLU A 76 20.916 7.297 -2.889 1.00 0.00 O ATOM 1101 OE2 GLU A 76 23.037 7.216 -3.456 1.00 0.00 O ATOM 0 H GLU A 76 20.037 5.638 -6.162 1.00 0.00 H new ATOM 0 HA GLU A 76 19.167 7.943 -4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.475 7.014 -6.185 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.027 8.587 -6.815 1.00 0.00 H new ATOM 0 HG2 GLU A 76 22.545 9.049 -5.073 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.969 9.411 -4.397 1.00 0.00 H new ATOM 1108 N GLU A 77 18.043 7.581 -7.695 1.00 0.00 N ATOM 1109 CA GLU A 77 17.203 8.165 -8.738 1.00 0.00 C ATOM 1110 C GLU A 77 15.746 8.273 -8.290 1.00 0.00 C ATOM 1111 O GLU A 77 15.037 9.198 -8.684 1.00 0.00 O ATOM 1112 CB GLU A 77 17.302 7.348 -10.030 1.00 0.00 C ATOM 1113 CG GLU A 77 17.284 5.842 -9.817 1.00 0.00 C ATOM 1114 CD GLU A 77 18.539 5.163 -10.331 1.00 0.00 C ATOM 1115 OE1 GLU A 77 18.577 4.818 -11.532 1.00 0.00 O ATOM 1116 OE2 GLU A 77 19.482 4.977 -9.535 1.00 0.00 O ATOM 0 H GLU A 77 18.159 6.570 -7.763 1.00 0.00 H new ATOM 0 HA GLU A 77 17.570 9.173 -8.929 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.474 7.621 -10.684 1.00 0.00 H new ATOM 0 HB3 GLU A 77 18.221 7.620 -10.549 1.00 0.00 H new ATOM 0 HG2 GLU A 77 17.171 5.631 -8.754 1.00 0.00 H new ATOM 0 HG3 GLU A 77 16.415 5.418 -10.320 1.00 0.00 H new ATOM 1123 N TYR A 78 15.300 7.331 -7.461 1.00 0.00 N ATOM 1124 CA TYR A 78 13.926 7.346 -6.963 1.00 0.00 C ATOM 1125 C TYR A 78 13.705 8.557 -6.067 1.00 0.00 C ATOM 1126 O TYR A 78 13.002 9.501 -6.433 1.00 0.00 O ATOM 1127 CB TYR A 78 13.620 6.060 -6.187 1.00 0.00 C ATOM 1128 CG TYR A 78 12.144 5.749 -6.082 1.00 0.00 C ATOM 1129 CD1 TYR A 78 11.303 6.495 -5.260 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.592 4.706 -6.808 1.00 0.00 C ATOM 1131 CE1 TYR A 78 9.956 6.205 -5.170 1.00 0.00 C ATOM 1132 CE2 TYR A 78 10.246 4.411 -6.727 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.430 5.163 -5.907 1.00 0.00 C ATOM 1134 OH TYR A 78 8.086 4.875 -5.820 1.00 0.00 O ATOM 0 H TYR A 78 15.866 6.553 -7.122 1.00 0.00 H new ATOM 0 HA TYR A 78 13.252 7.407 -7.817 1.00 0.00 H new ATOM 0 HB2 TYR A 78 14.124 5.225 -6.673 1.00 0.00 H new ATOM 0 HB3 TYR A 78 14.037 6.144 -5.183 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.711 7.313 -4.684 1.00 0.00 H new ATOM 0 HD2 TYR A 78 12.227 4.113 -7.449 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.317 6.791 -4.526 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.834 3.596 -7.303 1.00 0.00 H new ATOM 0 HH TYR A 78 7.876 4.115 -6.401 1.00 0.00 H new ATOM 1144 N HIS A 79 14.331 8.520 -4.898 1.00 0.00 N ATOM 1145 CA HIS A 79 14.250 9.598 -3.920 1.00 0.00 C ATOM 1146 C HIS A 79 12.865 10.247 -3.846 1.00 0.00 C ATOM 1147 O HIS A 79 12.676 11.378 -4.295 1.00 0.00 O ATOM 1148 CB HIS A 79 15.310 10.652 -4.224 1.00 0.00 C ATOM 1149 CG HIS A 79 16.671 10.251 -3.749 1.00 0.00 C ATOM 1150 ND1 HIS A 79 17.718 11.137 -3.612 1.00 0.00 N ATOM 1151 CD2 HIS A 79 17.149 9.044 -3.361 1.00 0.00 C ATOM 1152 CE1 HIS A 79 18.781 10.495 -3.159 1.00 0.00 C ATOM 1153 NE2 HIS A 79 18.460 9.224 -2.999 1.00 0.00 N ATOM 0 H HIS A 79 14.913 7.737 -4.600 1.00 0.00 H new ATOM 0 HA HIS A 79 14.433 9.152 -2.943 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.342 10.831 -5.299 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.027 11.593 -3.753 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.600 8.114 -3.341 1.00 0.00 H new ATOM 0 HE1 HIS A 79 19.746 10.934 -2.955 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.086 8.493 -2.661 1.00 0.00 H new ATOM 1161 N ALA A 80 11.909 9.535 -3.251 1.00 0.00 N ATOM 1162 CA ALA A 80 10.556 10.055 -3.087 1.00 0.00 C ATOM 1163 C ALA A 80 10.496 11.006 -1.894 1.00 0.00 C ATOM 1164 O ALA A 80 11.231 10.845 -0.922 1.00 0.00 O ATOM 1165 CB ALA A 80 9.565 8.916 -2.911 1.00 0.00 C ATOM 0 H ALA A 80 12.048 8.597 -2.875 1.00 0.00 H new ATOM 0 HA ALA A 80 10.285 10.608 -3.986 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.561 9.323 -2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.592 8.271 -3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.830 8.336 -2.027 1.00 0.00 H new ATOM 1171 N GLU A 81 9.630 12.002 -1.978 1.00 0.00 N ATOM 1172 CA GLU A 81 9.486 12.991 -0.914 1.00 0.00 C ATOM 1173 C GLU A 81 9.221 12.354 0.451 1.00 0.00 C ATOM 1174 O GLU A 81 9.536 12.945 1.485 1.00 0.00 O ATOM 1175 CB GLU A 81 8.347 13.953 -1.252 1.00 0.00 C ATOM 1176 CG GLU A 81 8.595 15.381 -0.794 1.00 0.00 C ATOM 1177 CD GLU A 81 7.623 16.367 -1.411 1.00 0.00 C ATOM 1178 OE1 GLU A 81 6.436 16.356 -1.020 1.00 0.00 O ATOM 1179 OE2 GLU A 81 8.047 17.149 -2.288 1.00 0.00 O ATOM 0 H GLU A 81 9.011 12.150 -2.775 1.00 0.00 H new ATOM 0 HA GLU A 81 10.432 13.528 -0.848 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.189 13.949 -2.330 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.428 13.589 -0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.516 15.429 0.292 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.614 15.670 -1.053 1.00 0.00 H new ATOM 1186 N ASN A 82 8.609 11.174 0.461 1.00 0.00 N ATOM 1187 CA ASN A 82 8.271 10.508 1.718 1.00 0.00 C ATOM 1188 C ASN A 82 9.318 9.486 2.178 1.00 0.00 C ATOM 1189 O ASN A 82 9.548 9.336 3.378 1.00 0.00 O ATOM 1190 CB ASN A 82 6.908 9.825 1.594 1.00 0.00 C ATOM 1191 CG ASN A 82 6.816 8.930 0.375 1.00 0.00 C ATOM 1192 OD1 ASN A 82 7.491 7.790 0.429 1.00 0.00 O flip ATOM 1193 ND2 ASN A 82 6.145 9.259 -0.604 1.00 0.00 N flip ATOM 0 H ASN A 82 8.338 10.661 -0.378 1.00 0.00 H new ATOM 0 HA ASN A 82 8.244 11.288 2.479 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.719 9.234 2.490 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.128 10.585 1.543 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.641 10.146 -0.602 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.093 8.644 -1.416 1.00 0.00 H new ATOM 1200 N LEU A 83 9.925 8.760 1.243 1.00 0.00 N ATOM 1201 CA LEU A 83 10.908 7.734 1.615 1.00 0.00 C ATOM 1202 C LEU A 83 12.178 7.780 0.765 1.00 0.00 C ATOM 1203 O LEU A 83 12.924 6.810 0.705 1.00 0.00 O ATOM 1204 CB LEU A 83 10.262 6.339 1.539 1.00 0.00 C ATOM 1205 CG LEU A 83 10.188 5.665 0.151 1.00 0.00 C ATOM 1206 CD1 LEU A 83 10.043 6.664 -0.989 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.403 4.795 -0.075 1.00 0.00 C ATOM 0 H LEU A 83 9.762 8.856 0.241 1.00 0.00 H new ATOM 0 HA LEU A 83 11.216 7.946 2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.812 5.676 2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.248 6.416 1.931 1.00 0.00 H new ATOM 0 HG LEU A 83 9.288 5.050 0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.996 6.129 -1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.129 7.241 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.900 7.337 -0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.337 4.326 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.303 5.407 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.446 4.023 0.693 1.00 0.00 H new ATOM 1219 N LYS A 84 12.423 8.907 0.120 1.00 0.00 N ATOM 1220 CA LYS A 84 13.607 9.076 -0.731 1.00 0.00 C ATOM 1221 C LYS A 84 14.827 8.290 -0.238 1.00 0.00 C ATOM 1222 O LYS A 84 15.272 8.451 0.900 1.00 0.00 O ATOM 1223 CB LYS A 84 13.970 10.557 -0.859 1.00 0.00 C ATOM 1224 CG LYS A 84 13.944 11.313 0.457 1.00 0.00 C ATOM 1225 CD LYS A 84 14.562 12.696 0.312 1.00 0.00 C ATOM 1226 CE LYS A 84 14.551 13.455 1.629 1.00 0.00 C ATOM 1227 NZ LYS A 84 15.193 12.679 2.724 1.00 0.00 N ATOM 0 H LYS A 84 11.819 9.728 0.164 1.00 0.00 H new ATOM 0 HA LYS A 84 13.337 8.671 -1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.965 10.641 -1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.277 11.032 -1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 84 12.915 11.407 0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.486 10.747 1.215 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.587 12.601 -0.045 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.013 13.263 -0.440 1.00 0.00 H new ATOM 0 HE2 LYS A 84 15.071 14.405 1.505 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.523 13.688 1.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.364 13.303 3.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.567 11.900 3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.098 12.290 2.390 1.00 0.00 H new ATOM 1241 N GLY A 85 15.368 7.451 -1.126 1.00 0.00 N ATOM 1242 CA GLY A 85 16.544 6.651 -0.813 1.00 0.00 C ATOM 1243 C GLY A 85 16.447 5.915 0.510 1.00 0.00 C ATOM 1244 O GLY A 85 17.315 6.064 1.371 1.00 0.00 O ATOM 0 H GLY A 85 15.005 7.312 -2.069 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.702 5.926 -1.611 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.419 7.300 -0.794 1.00 0.00 H new ATOM 1248 N LYS A 86 15.398 5.119 0.678 1.00 0.00 N ATOM 1249 CA LYS A 86 15.215 4.367 1.913 1.00 0.00 C ATOM 1250 C LYS A 86 15.671 2.915 1.782 1.00 0.00 C ATOM 1251 O LYS A 86 14.878 2.038 1.442 1.00 0.00 O ATOM 1252 CB LYS A 86 13.756 4.405 2.353 1.00 0.00 C ATOM 1253 CG LYS A 86 13.582 4.520 3.857 1.00 0.00 C ATOM 1254 CD LYS A 86 14.009 5.887 4.370 1.00 0.00 C ATOM 1255 CE LYS A 86 12.981 6.958 4.030 1.00 0.00 C ATOM 1256 NZ LYS A 86 12.880 7.993 5.097 1.00 0.00 N ATOM 0 H LYS A 86 14.667 4.978 -0.019 1.00 0.00 H new ATOM 0 HA LYS A 86 15.839 4.846 2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.261 5.249 1.872 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.256 3.501 2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.538 4.343 4.117 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.169 3.746 4.351 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.147 5.844 5.450 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.972 6.155 3.936 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.252 7.434 3.088 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.007 6.492 3.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.170 8.703 4.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.597 7.543 5.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.803 8.456 5.220 1.00 0.00 H new ATOM 1270 N ALA A 87 16.937 2.661 2.089 1.00 0.00 N ATOM 1271 CA ALA A 87 17.472 1.304 2.045 1.00 0.00 C ATOM 1272 C ALA A 87 17.013 0.552 3.289 1.00 0.00 C ATOM 1273 O ALA A 87 17.600 0.702 4.360 1.00 0.00 O ATOM 1274 CB ALA A 87 18.992 1.334 1.962 1.00 0.00 C ATOM 0 H ALA A 87 17.611 3.373 2.370 1.00 0.00 H new ATOM 0 HA ALA A 87 17.101 0.792 1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.375 0.314 1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.297 1.864 1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.394 1.845 2.837 1.00 0.00 H new ATOM 1280 N ALA A 88 15.930 -0.216 3.168 1.00 0.00 N ATOM 1281 CA ALA A 88 15.387 -0.921 4.323 1.00 0.00 C ATOM 1282 C ALA A 88 15.002 -2.375 4.048 1.00 0.00 C ATOM 1283 O ALA A 88 15.258 -2.931 2.981 1.00 0.00 O ATOM 1284 CB ALA A 88 14.176 -0.157 4.845 1.00 0.00 C ATOM 0 H ALA A 88 15.421 -0.363 2.297 1.00 0.00 H new ATOM 0 HA ALA A 88 16.183 -0.961 5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.763 -0.677 5.709 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.478 0.849 5.137 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.420 -0.096 4.063 1.00 0.00 H new ATOM 1290 N LYS A 89 14.352 -2.954 5.052 1.00 0.00 N ATOM 1291 CA LYS A 89 13.859 -4.322 5.010 1.00 0.00 C ATOM 1292 C LYS A 89 12.377 -4.291 5.340 1.00 0.00 C ATOM 1293 O LYS A 89 11.971 -3.568 6.245 1.00 0.00 O ATOM 1294 CB LYS A 89 14.608 -5.198 6.018 1.00 0.00 C ATOM 1295 CG LYS A 89 15.415 -6.311 5.370 1.00 0.00 C ATOM 1296 CD LYS A 89 16.776 -6.469 6.030 1.00 0.00 C ATOM 1297 CE LYS A 89 17.769 -5.443 5.510 1.00 0.00 C ATOM 1298 NZ LYS A 89 19.027 -6.079 5.031 1.00 0.00 N ATOM 0 H LYS A 89 14.151 -2.477 5.931 1.00 0.00 H new ATOM 0 HA LYS A 89 14.021 -4.748 4.020 1.00 0.00 H new ATOM 0 HB2 LYS A 89 15.277 -4.570 6.607 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.890 -5.636 6.711 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.864 -7.249 5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.546 -6.097 4.309 1.00 0.00 H new ATOM 0 HD2 LYS A 89 16.673 -6.362 7.110 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.157 -7.473 5.844 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.315 -4.879 4.695 1.00 0.00 H new ATOM 0 HE3 LYS A 89 18.001 -4.730 6.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.677 -5.345 4.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.475 -6.596 5.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 18.809 -6.741 4.259 1.00 0.00 H new ATOM 1312 N PHE A 90 11.573 -5.086 4.641 1.00 0.00 N ATOM 1313 CA PHE A 90 10.132 -5.133 4.909 1.00 0.00 C ATOM 1314 C PHE A 90 9.596 -6.557 4.906 1.00 0.00 C ATOM 1315 O PHE A 90 10.125 -7.428 4.214 1.00 0.00 O ATOM 1316 CB PHE A 90 9.330 -4.388 3.834 1.00 0.00 C ATOM 1317 CG PHE A 90 9.574 -2.916 3.691 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.338 -2.202 4.594 1.00 0.00 C ATOM 1319 CD2 PHE A 90 8.999 -2.250 2.632 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.530 -0.841 4.436 1.00 0.00 C ATOM 1321 CE2 PHE A 90 9.180 -0.889 2.466 1.00 0.00 C ATOM 1322 CZ PHE A 90 9.948 -0.184 3.371 1.00 0.00 C ATOM 0 H PHE A 90 11.886 -5.702 3.891 1.00 0.00 H new ATOM 0 HA PHE A 90 10.013 -4.670 5.889 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.536 -4.859 2.873 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.270 -4.536 4.041 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.790 -2.712 5.432 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.398 -2.798 1.921 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.134 -0.294 5.145 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.722 -0.379 1.631 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.093 0.879 3.246 1.00 0.00 H new ATOM 1332 N ALA A 91 8.498 -6.774 5.623 1.00 0.00 N ATOM 1333 CA ALA A 91 7.826 -8.059 5.648 1.00 0.00 C ATOM 1334 C ALA A 91 6.389 -7.762 5.244 1.00 0.00 C ATOM 1335 O ALA A 91 5.632 -7.151 5.997 1.00 0.00 O ATOM 1336 CB ALA A 91 7.895 -8.686 7.033 1.00 0.00 C ATOM 0 H ALA A 91 8.053 -6.061 6.201 1.00 0.00 H new ATOM 0 HA ALA A 91 8.293 -8.777 4.975 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.383 -9.648 7.023 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.938 -8.832 7.315 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.413 -8.027 7.755 1.00 0.00 H new ATOM 1342 N ILE A 92 6.067 -8.090 4.000 1.00 0.00 N ATOM 1343 CA ILE A 92 4.772 -7.743 3.427 1.00 0.00 C ATOM 1344 C ILE A 92 3.762 -8.885 3.331 1.00 0.00 C ATOM 1345 O ILE A 92 4.100 -10.062 3.403 1.00 0.00 O ATOM 1346 CB ILE A 92 4.987 -7.179 2.008 1.00 0.00 C ATOM 1347 CG1 ILE A 92 6.150 -6.172 1.999 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.705 -6.566 1.477 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.179 -5.259 0.795 1.00 0.00 C ATOM 0 H ILE A 92 6.685 -8.597 3.367 1.00 0.00 H new ATOM 0 HA ILE A 92 4.343 -7.017 4.118 1.00 0.00 H new ATOM 0 HB ILE A 92 5.257 -7.998 1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.093 -5.562 2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.090 -6.722 2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.877 -6.174 0.475 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.926 -7.327 1.440 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.389 -5.756 2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.031 -4.583 0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.270 -5.856 -0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.257 -4.679 0.756 1.00 0.00 H new ATOM 1361 N ASN A 93 2.507 -8.485 3.124 1.00 0.00 N ATOM 1362 CA ASN A 93 1.393 -9.408 2.953 1.00 0.00 C ATOM 1363 C ASN A 93 0.517 -8.935 1.787 1.00 0.00 C ATOM 1364 O ASN A 93 -0.213 -7.952 1.915 1.00 0.00 O ATOM 1365 CB ASN A 93 0.560 -9.498 4.232 1.00 0.00 C ATOM 1366 CG ASN A 93 1.358 -10.005 5.416 1.00 0.00 C ATOM 1367 OD1 ASN A 93 2.449 -10.556 5.259 1.00 0.00 O ATOM 1368 ND2 ASN A 93 0.814 -9.823 6.614 1.00 0.00 N ATOM 0 H ASN A 93 2.237 -7.503 3.070 1.00 0.00 H new ATOM 0 HA ASN A 93 1.788 -10.400 2.736 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.155 -8.514 4.467 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -0.289 -10.160 4.062 1.00 0.00 H new ATOM 0 HD21 ASN A 93 1.302 -10.145 7.450 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -0.092 -9.362 6.698 1.00 0.00 H new ATOM 1375 N LEU A 94 0.607 -9.616 0.646 1.00 0.00 N ATOM 1376 CA LEU A 94 -0.164 -9.231 -0.540 1.00 0.00 C ATOM 1377 C LEU A 94 -1.663 -9.389 -0.331 1.00 0.00 C ATOM 1378 O LEU A 94 -2.105 -10.216 0.462 1.00 0.00 O ATOM 1379 CB LEU A 94 0.272 -10.045 -1.754 1.00 0.00 C ATOM 1380 CG LEU A 94 -0.140 -9.452 -3.099 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.565 -8.124 -3.324 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.170 -10.422 -4.227 1.00 0.00 C ATOM 0 H LEU A 94 1.203 -10.434 0.515 1.00 0.00 H new ATOM 0 HA LEU A 94 0.039 -8.175 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.357 -10.149 -1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.146 -11.048 -1.671 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.216 -9.276 -3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.263 -7.710 -4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.294 -7.429 -2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.644 -8.279 -3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.131 -9.982 -5.178 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.240 -10.629 -4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.377 -11.351 -4.068 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.445 -8.591 -1.066 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.897 -8.646 -0.975 1.00 0.00 C ATOM 1396 C LYS A 95 -4.543 -8.366 -2.339 1.00 0.00 C ATOM 1397 O LYS A 95 -4.517 -9.213 -3.229 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.414 -7.660 0.082 1.00 0.00 C ATOM 1399 CG LYS A 95 -4.084 -8.058 1.512 1.00 0.00 C ATOM 1400 CD LYS A 95 -5.263 -8.746 2.189 1.00 0.00 C ATOM 1401 CE LYS A 95 -4.821 -9.975 2.970 1.00 0.00 C ATOM 1402 NZ LYS A 95 -5.765 -11.113 2.801 1.00 0.00 N ATOM 0 H LYS A 95 -2.091 -7.901 -1.729 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.177 -9.654 -0.668 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.991 -6.675 -0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.496 -7.569 -0.019 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.222 -8.725 1.515 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.803 -7.172 2.081 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.757 -8.045 2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.996 -9.036 1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.827 -10.276 2.639 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.742 -9.723 4.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.409 -11.940 3.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.700 -10.847 3.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.847 -11.349 1.791 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.165 -7.200 -2.483 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.854 -6.861 -3.718 1.00 0.00 C ATOM 1418 C LYS A 96 -4.896 -6.497 -4.847 1.00 0.00 C ATOM 1419 O LYS A 96 -4.371 -5.386 -4.898 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.822 -5.703 -3.476 1.00 0.00 C ATOM 1421 CG LYS A 96 -8.097 -6.116 -2.762 1.00 0.00 C ATOM 1422 CD LYS A 96 -8.727 -4.946 -2.023 1.00 0.00 C ATOM 1423 CE LYS A 96 -9.615 -5.422 -0.884 1.00 0.00 C ATOM 1424 NZ LYS A 96 -9.617 -4.467 0.259 1.00 0.00 N ATOM 0 H LYS A 96 -5.205 -6.479 -1.763 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.401 -7.751 -4.029 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.318 -4.936 -2.888 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.082 -5.251 -4.433 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.807 -6.515 -3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.877 -6.917 -2.056 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.944 -4.298 -1.629 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.315 -4.348 -2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.634 -5.553 -1.249 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.272 -6.398 -0.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.234 -4.830 1.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.649 -4.361 0.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.969 -3.542 -0.062 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.709 -7.436 -5.771 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.858 -7.227 -6.935 1.00 0.00 C ATOM 1440 C VAL A 97 -4.726 -7.173 -8.195 1.00 0.00 C ATOM 1441 O VAL A 97 -5.294 -8.185 -8.604 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.815 -8.362 -7.075 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.469 -9.726 -6.879 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.109 -8.294 -8.426 1.00 0.00 C ATOM 0 H VAL A 97 -5.142 -8.359 -5.733 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.324 -6.285 -6.807 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.066 -8.226 -6.295 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.717 -10.508 -6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.912 -9.777 -5.885 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.246 -9.868 -7.630 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.382 -9.103 -8.498 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.843 -8.394 -9.226 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.597 -7.336 -8.521 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.850 -5.989 -8.790 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.677 -5.821 -9.984 1.00 0.00 C ATOM 1456 C GLU A 98 -4.924 -5.076 -11.087 1.00 0.00 C ATOM 1457 O GLU A 98 -3.758 -4.730 -10.920 1.00 0.00 O ATOM 1458 CB GLU A 98 -6.957 -5.078 -9.614 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.716 -5.717 -8.463 1.00 0.00 C ATOM 1460 CD GLU A 98 -7.949 -4.757 -7.313 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -6.990 -4.486 -6.561 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -9.093 -4.277 -7.163 1.00 0.00 O ATOM 0 H GLU A 98 -4.392 -5.136 -8.468 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.929 -6.808 -10.372 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.708 -4.051 -9.349 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.607 -5.033 -10.488 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.676 -6.084 -8.825 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.160 -6.582 -8.102 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.588 -4.845 -12.224 1.00 0.00 N ATOM 1470 CA GLU A 99 -4.954 -4.159 -13.353 1.00 0.00 C ATOM 1471 C GLU A 99 -5.424 -2.717 -13.497 1.00 0.00 C ATOM 1472 O GLU A 99 -6.377 -2.433 -14.221 1.00 0.00 O ATOM 1473 CB GLU A 99 -5.218 -4.917 -14.654 1.00 0.00 C ATOM 1474 CG GLU A 99 -4.324 -4.487 -15.806 1.00 0.00 C ATOM 1475 CD GLU A 99 -5.092 -4.289 -17.098 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -6.120 -3.577 -17.075 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -4.669 -4.845 -18.134 1.00 0.00 O ATOM 0 H GLU A 99 -6.557 -5.121 -12.386 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.884 -4.139 -13.148 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.079 -5.984 -14.477 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.260 -4.775 -14.942 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.819 -3.558 -15.542 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.549 -5.238 -15.960 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.725 -1.808 -12.828 1.00 0.00 N ATOM 1485 CA ARG A 100 -5.051 -0.390 -12.893 1.00 0.00 C ATOM 1486 C ARG A 100 -4.692 0.193 -14.257 1.00 0.00 C ATOM 1487 O ARG A 100 -3.908 -0.389 -15.009 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.314 0.371 -11.792 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.801 0.338 -11.942 1.00 0.00 C ATOM 1490 CD ARG A 100 -2.235 1.724 -12.203 1.00 0.00 C ATOM 1491 NE ARG A 100 -0.926 1.668 -12.850 1.00 0.00 N ATOM 1492 CZ ARG A 100 -0.275 2.738 -13.297 1.00 0.00 C ATOM 1493 NH1 ARG A 100 -0.802 3.948 -13.160 1.00 0.00 N ATOM 1494 NH2 ARG A 100 0.906 2.597 -13.882 1.00 0.00 N ATOM 0 H ARG A 100 -3.927 -2.029 -12.233 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.126 -0.283 -12.746 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.649 1.408 -11.791 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.585 -0.052 -10.825 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.354 -0.074 -11.037 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.530 -0.327 -12.762 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.926 2.285 -12.832 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -2.151 2.265 -11.260 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.486 0.755 -12.966 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.710 4.061 -12.710 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -0.299 4.766 -13.505 1.00 0.00 H new ATOM 0 HH21 ARG A 100 1.315 1.669 -13.989 1.00 0.00 H new ATOM 0 HH22 ARG A 100 1.406 3.417 -14.225 1.00 0.00 H new ATOM 1508 N GLU A 101 -5.269 1.349 -14.566 1.00 0.00 N ATOM 1509 CA GLU A 101 -5.014 2.026 -15.833 1.00 0.00 C ATOM 1510 C GLU A 101 -5.705 3.385 -15.860 1.00 0.00 C ATOM 1511 O GLU A 101 -6.806 3.521 -16.394 1.00 0.00 O ATOM 1512 CB GLU A 101 -5.497 1.175 -17.008 1.00 0.00 C ATOM 1513 CG GLU A 101 -4.749 1.446 -18.303 1.00 0.00 C ATOM 1514 CD GLU A 101 -4.518 0.191 -19.120 1.00 0.00 C ATOM 1515 OE1 GLU A 101 -3.982 -0.791 -18.564 1.00 0.00 O ATOM 1516 OE2 GLU A 101 -4.873 0.188 -20.319 1.00 0.00 O ATOM 0 H GLU A 101 -5.920 1.839 -13.953 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.938 2.173 -15.927 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -5.391 0.121 -16.750 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -6.560 1.359 -17.167 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -5.312 2.164 -18.899 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.788 1.907 -18.073 1.00 0.00 H new ATOM 1523 N LEU A 102 -5.053 4.383 -15.276 1.00 0.00 N ATOM 1524 CA LEU A 102 -5.605 5.732 -15.227 1.00 0.00 C ATOM 1525 C LEU A 102 -5.493 6.416 -16.588 1.00 0.00 C ATOM 1526 O LEU A 102 -4.479 6.288 -17.272 1.00 0.00 O ATOM 1527 CB LEU A 102 -4.875 6.557 -14.164 1.00 0.00 C ATOM 1528 CG LEU A 102 -5.267 6.254 -12.714 1.00 0.00 C ATOM 1529 CD1 LEU A 102 -5.282 4.753 -12.460 1.00 0.00 C ATOM 1530 CD2 LEU A 102 -4.309 6.944 -11.754 1.00 0.00 C ATOM 0 H LEU A 102 -4.141 4.284 -14.830 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.661 5.662 -14.965 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.803 6.394 -14.274 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.058 7.614 -14.359 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.273 6.638 -12.543 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.563 4.562 -11.424 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.004 4.279 -13.125 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.290 4.342 -12.649 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -4.599 6.720 -10.727 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -3.295 6.585 -11.931 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.346 8.021 -11.915 1.00 0.00 H new ATOM 1542 N PRO A 103 -6.537 7.158 -17.000 1.00 0.00 N ATOM 1543 CA PRO A 103 -6.545 7.861 -18.287 1.00 0.00 C ATOM 1544 C PRO A 103 -5.586 9.046 -18.306 1.00 0.00 C ATOM 1545 O PRO A 103 -5.778 10.024 -17.582 1.00 0.00 O ATOM 1546 CB PRO A 103 -7.991 8.344 -18.421 1.00 0.00 C ATOM 1547 CG PRO A 103 -8.484 8.455 -17.021 1.00 0.00 C ATOM 1548 CD PRO A 103 -7.789 7.368 -16.247 1.00 0.00 C ATOM 0 HA PRO A 103 -6.219 7.217 -19.104 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -8.042 9.303 -18.936 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -8.592 7.641 -18.998 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -8.257 9.436 -16.604 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -9.566 8.333 -16.978 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -7.593 7.670 -15.218 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -8.389 6.459 -16.204 1.00 0.00 H new ATOM 1556 N GLU A 104 -4.554 8.953 -19.136 1.00 0.00 N ATOM 1557 CA GLU A 104 -3.565 10.019 -19.249 1.00 0.00 C ATOM 1558 C GLU A 104 -4.096 11.160 -20.112 1.00 0.00 C ATOM 1559 O GLU A 104 -3.844 12.333 -19.831 1.00 0.00 O ATOM 1560 CB GLU A 104 -2.261 9.475 -19.838 1.00 0.00 C ATOM 1561 CG GLU A 104 -1.221 9.120 -18.787 1.00 0.00 C ATOM 1562 CD GLU A 104 0.082 8.639 -19.395 1.00 0.00 C ATOM 1563 OE1 GLU A 104 0.081 7.565 -20.032 1.00 0.00 O ATOM 1564 OE2 GLU A 104 1.106 9.338 -19.233 1.00 0.00 O ATOM 0 H GLU A 104 -4.380 8.150 -19.741 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.366 10.407 -18.250 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.482 8.589 -20.432 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -1.841 10.217 -20.517 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.027 9.993 -18.164 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.621 8.345 -18.133 1.00 0.00 H new ATOM 1571 N LEU A 105 -4.832 10.811 -21.163 1.00 0.00 N ATOM 1572 CA LEU A 105 -5.399 11.807 -22.065 1.00 0.00 C ATOM 1573 C LEU A 105 -6.866 12.064 -21.736 1.00 0.00 C ATOM 1574 O LEU A 105 -7.749 11.322 -22.168 1.00 0.00 O ATOM 1575 CB LEU A 105 -5.258 11.349 -23.519 1.00 0.00 C ATOM 1576 CG LEU A 105 -4.458 12.296 -24.417 1.00 0.00 C ATOM 1577 CD1 LEU A 105 -4.283 11.699 -25.804 1.00 0.00 C ATOM 1578 CD2 LEU A 105 -5.143 13.652 -24.501 1.00 0.00 C ATOM 0 H LEU A 105 -5.050 9.846 -21.411 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.848 12.738 -21.933 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.780 10.369 -23.532 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.254 11.224 -23.944 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.470 12.434 -23.978 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.712 12.387 -26.427 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.750 10.751 -25.728 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.262 11.530 -26.253 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.562 14.314 -25.143 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.143 13.529 -24.917 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.215 14.086 -23.504 1.00 0.00 H new ATOM 1590 N THR A 106 -7.121 13.120 -20.968 1.00 0.00 N ATOM 1591 CA THR A 106 -8.483 13.470 -20.583 1.00 0.00 C ATOM 1592 C THR A 106 -8.594 14.954 -20.246 1.00 0.00 C ATOM 1593 O THR A 106 -9.484 15.622 -20.814 1.00 0.00 O ATOM 1594 CB THR A 106 -8.926 12.632 -19.384 1.00 0.00 C ATOM 1595 OG1 THR A 106 -10.229 13.004 -18.968 1.00 0.00 O ATOM 1596 CG2 THR A 106 -8.006 12.765 -18.190 1.00 0.00 C ATOM 1597 OXT THR A 106 -7.795 15.433 -19.416 1.00 0.00 O ATOM 0 H THR A 106 -6.404 13.746 -20.601 1.00 0.00 H new ATOM 0 HA THR A 106 -9.136 13.259 -21.430 1.00 0.00 H new ATOM 0 HB THR A 106 -8.901 11.598 -19.727 1.00 0.00 H new ATOM 0 HG1 THR A 106 -10.496 12.456 -18.201 1.00 0.00 H new ATOM 0 HG21 THR A 106 -8.377 12.145 -17.374 1.00 0.00 H new ATOM 0 HG22 THR A 106 -7.003 12.440 -18.466 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.974 13.806 -17.869 1.00 0.00 H new TER 1605 THR A 106