USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 724 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 25 ASN : amide:sc= 0 X(o=-0.00063,f=-0.00063) USER MOD Set 1.2: A 87 SER OG : rot 180:sc=-0.000632 USER MOD Set 2.1: A 50 THR OG1 : rot -159:sc= -1.04 USER MOD Set 2.2: A 57 GLN : amide:sc= -7! C(o=-8!,f=-21!) USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0134 (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 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -79:sc= 0.111 USER MOD Single : A 28 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0767) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 86:sc= 0.187 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0999 USER MOD Single : A 40 SER OG : rot 79:sc= 0.753 USER MOD Single : A 43 LYS NZ :NH3+ -119:sc= -0.909 (180deg=-2.74!) USER MOD Single : A 44 GLN : amide:sc= -0.43 X(o=-0.43,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS :FLIP no HE2:sc= -0.224 F(o=-2,f=-0.22) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -164:sc= 0.413 (180deg=0.318) USER MOD Single : A 60 MET CE :methyl 140:sc= -1.04 (180deg=-3.18!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0138) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.00978 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -168:sc= 0 (180deg=-0.0537) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 1:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.527 -1.265 -42.209 1.00 0.00 N ATOM 2 CA GLY A 1 22.852 -0.696 -41.055 1.00 0.00 C ATOM 3 C GLY A 1 21.512 -1.392 -40.805 1.00 0.00 C ATOM 4 O GLY A 1 20.787 -1.705 -41.748 1.00 0.00 O ATOM 0 H1 GLY A 1 24.353 -1.813 -41.893 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.872 -1.890 -42.721 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.840 -0.500 -42.840 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.486 -0.793 -40.174 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.688 0.370 -41.214 1.00 0.00 H new ATOM 8 N SER A 2 21.224 -1.612 -39.531 1.00 0.00 N ATOM 9 CA SER A 2 19.984 -2.265 -39.146 1.00 0.00 C ATOM 10 C SER A 2 19.773 -2.137 -37.636 1.00 0.00 C ATOM 11 O SER A 2 20.736 -2.076 -36.874 1.00 0.00 O ATOM 12 CB SER A 2 19.986 -3.738 -39.559 1.00 0.00 C ATOM 13 OG SER A 2 20.659 -4.558 -38.607 1.00 0.00 O ATOM 0 H SER A 2 21.828 -1.350 -38.752 1.00 0.00 H new ATOM 0 HA SER A 2 19.162 -1.772 -39.665 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.959 -4.084 -39.674 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.468 -3.841 -40.531 1.00 0.00 H new ATOM 0 HG SER A 2 20.637 -5.491 -38.906 1.00 0.00 H new ATOM 19 N SER A 3 18.506 -2.100 -37.250 1.00 0.00 N ATOM 20 CA SER A 3 18.155 -1.980 -35.845 1.00 0.00 C ATOM 21 C SER A 3 16.637 -2.055 -35.676 1.00 0.00 C ATOM 22 O SER A 3 15.894 -1.936 -36.649 1.00 0.00 O ATOM 23 CB SER A 3 18.691 -0.675 -35.253 1.00 0.00 C ATOM 24 OG SER A 3 18.954 -0.790 -33.857 1.00 0.00 O ATOM 0 H SER A 3 17.710 -2.151 -37.886 1.00 0.00 H new ATOM 0 HA SER A 3 18.615 -2.808 -35.306 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.606 -0.391 -35.772 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.968 0.123 -35.421 1.00 0.00 H new ATOM 0 HG SER A 3 19.296 0.063 -33.517 1.00 0.00 H new ATOM 30 N GLY A 4 16.220 -2.252 -34.434 1.00 0.00 N ATOM 31 CA GLY A 4 14.803 -2.344 -34.125 1.00 0.00 C ATOM 32 C GLY A 4 14.584 -2.927 -32.727 1.00 0.00 C ATOM 33 O GLY A 4 15.019 -4.041 -32.440 1.00 0.00 O ATOM 0 H GLY A 4 16.839 -2.351 -33.629 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.349 -1.355 -34.186 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.305 -2.970 -34.866 1.00 0.00 H new ATOM 37 N SER A 5 13.909 -2.147 -31.896 1.00 0.00 N ATOM 38 CA SER A 5 13.626 -2.571 -30.535 1.00 0.00 C ATOM 39 C SER A 5 12.627 -1.612 -29.885 1.00 0.00 C ATOM 40 O SER A 5 12.626 -0.417 -30.179 1.00 0.00 O ATOM 41 CB SER A 5 14.908 -2.645 -29.703 1.00 0.00 C ATOM 42 OG SER A 5 15.453 -1.354 -29.446 1.00 0.00 O ATOM 0 H SER A 5 13.550 -1.224 -32.139 1.00 0.00 H new ATOM 0 HA SER A 5 13.191 -3.570 -30.572 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.698 -3.145 -28.757 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.646 -3.252 -30.227 1.00 0.00 H new ATOM 0 HG SER A 5 16.269 -1.444 -28.911 1.00 0.00 H new ATOM 48 N SER A 6 11.800 -2.171 -29.013 1.00 0.00 N ATOM 49 CA SER A 6 10.798 -1.380 -28.319 1.00 0.00 C ATOM 50 C SER A 6 10.103 -2.233 -27.256 1.00 0.00 C ATOM 51 O SER A 6 10.241 -3.455 -27.248 1.00 0.00 O ATOM 52 CB SER A 6 9.770 -0.811 -29.299 1.00 0.00 C ATOM 53 OG SER A 6 9.196 -1.824 -30.119 1.00 0.00 O ATOM 0 H SER A 6 11.804 -3.162 -28.771 1.00 0.00 H new ATOM 0 HA SER A 6 11.299 -0.542 -27.833 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.981 -0.305 -28.743 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.247 -0.061 -29.930 1.00 0.00 H new ATOM 0 HG SER A 6 8.544 -1.420 -30.729 1.00 0.00 H new ATOM 59 N GLY A 7 9.371 -1.554 -26.385 1.00 0.00 N ATOM 60 CA GLY A 7 8.653 -2.234 -25.320 1.00 0.00 C ATOM 61 C GLY A 7 8.881 -1.540 -23.975 1.00 0.00 C ATOM 62 O GLY A 7 9.942 -1.685 -23.369 1.00 0.00 O ATOM 0 H GLY A 7 9.260 -0.540 -26.395 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.587 -2.251 -25.548 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.983 -3.271 -25.259 1.00 0.00 H new ATOM 66 N ASP A 8 7.867 -0.802 -23.548 1.00 0.00 N ATOM 67 CA ASP A 8 7.943 -0.085 -22.286 1.00 0.00 C ATOM 68 C ASP A 8 6.538 0.356 -21.870 1.00 0.00 C ATOM 69 O ASP A 8 5.773 0.860 -22.691 1.00 0.00 O ATOM 70 CB ASP A 8 8.813 1.167 -22.416 1.00 0.00 C ATOM 71 CG ASP A 8 8.545 2.015 -23.661 1.00 0.00 C ATOM 72 OD1 ASP A 8 8.701 1.460 -24.770 1.00 0.00 O ATOM 73 OD2 ASP A 8 8.189 3.199 -23.476 1.00 0.00 O ATOM 0 H ASP A 8 6.989 -0.685 -24.053 1.00 0.00 H new ATOM 0 HA ASP A 8 8.381 -0.753 -21.544 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.664 1.788 -21.533 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.860 0.865 -22.419 1.00 0.00 H new ATOM 78 N ALA A 9 6.242 0.152 -20.595 1.00 0.00 N ATOM 79 CA ALA A 9 4.943 0.522 -20.060 1.00 0.00 C ATOM 80 C ALA A 9 5.119 1.088 -18.650 1.00 0.00 C ATOM 81 O ALA A 9 6.055 0.718 -17.941 1.00 0.00 O ATOM 82 CB ALA A 9 4.013 -0.693 -20.089 1.00 0.00 C ATOM 0 H ALA A 9 6.880 -0.265 -19.917 1.00 0.00 H new ATOM 0 HA ALA A 9 4.484 1.298 -20.672 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.039 -0.415 -19.687 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.897 -1.038 -21.116 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.440 -1.493 -19.484 1.00 0.00 H new ATOM 88 N GLY A 10 4.206 1.975 -18.284 1.00 0.00 N ATOM 89 CA GLY A 10 4.249 2.595 -16.970 1.00 0.00 C ATOM 90 C GLY A 10 4.522 4.096 -17.082 1.00 0.00 C ATOM 91 O GLY A 10 4.581 4.640 -18.184 1.00 0.00 O ATOM 0 H GLY A 10 3.432 2.280 -18.874 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.302 2.431 -16.455 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.025 2.124 -16.367 1.00 0.00 H new ATOM 95 N GLY A 11 4.680 4.724 -15.926 1.00 0.00 N ATOM 96 CA GLY A 11 4.944 6.152 -15.880 1.00 0.00 C ATOM 97 C GLY A 11 5.099 6.635 -14.436 1.00 0.00 C ATOM 98 O GLY A 11 4.803 5.898 -13.497 1.00 0.00 O ATOM 0 H GLY A 11 4.630 4.270 -15.014 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.851 6.376 -16.441 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.129 6.692 -16.362 1.00 0.00 H new ATOM 102 N GLY A 12 5.561 7.869 -14.305 1.00 0.00 N ATOM 103 CA GLY A 12 5.758 8.459 -12.992 1.00 0.00 C ATOM 104 C GLY A 12 5.761 9.987 -13.072 1.00 0.00 C ATOM 105 O GLY A 12 6.059 10.557 -14.121 1.00 0.00 O ATOM 0 H GLY A 12 5.805 8.477 -15.087 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.967 8.128 -12.318 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.702 8.112 -12.571 1.00 0.00 H new ATOM 109 N VAL A 13 5.427 10.608 -11.950 1.00 0.00 N ATOM 110 CA VAL A 13 5.388 12.058 -11.880 1.00 0.00 C ATOM 111 C VAL A 13 6.510 12.551 -10.965 1.00 0.00 C ATOM 112 O VAL A 13 6.647 12.081 -9.836 1.00 0.00 O ATOM 113 CB VAL A 13 4.002 12.524 -11.429 1.00 0.00 C ATOM 114 CG1 VAL A 13 3.972 14.039 -11.224 1.00 0.00 C ATOM 115 CG2 VAL A 13 2.925 12.083 -12.424 1.00 0.00 C ATOM 0 H VAL A 13 5.181 10.133 -11.082 1.00 0.00 H new ATOM 0 HA VAL A 13 5.558 12.492 -12.866 1.00 0.00 H new ATOM 0 HB VAL A 13 3.786 12.053 -10.470 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.975 14.343 -10.904 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.699 14.317 -10.461 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.220 14.538 -12.161 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.949 12.427 -12.080 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.137 12.512 -13.403 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.921 10.996 -12.498 1.00 0.00 H new ATOM 125 N GLY A 14 7.285 13.491 -11.485 1.00 0.00 N ATOM 126 CA GLY A 14 8.392 14.052 -10.729 1.00 0.00 C ATOM 127 C GLY A 14 9.635 13.167 -10.837 1.00 0.00 C ATOM 128 O GLY A 14 10.606 13.533 -11.497 1.00 0.00 O ATOM 0 H GLY A 14 7.168 13.879 -12.421 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.620 15.052 -11.099 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.106 14.157 -9.682 1.00 0.00 H new ATOM 132 N LYS A 15 9.564 12.019 -10.179 1.00 0.00 N ATOM 133 CA LYS A 15 10.672 11.079 -10.194 1.00 0.00 C ATOM 134 C LYS A 15 10.123 9.653 -10.268 1.00 0.00 C ATOM 135 O LYS A 15 8.940 9.452 -10.537 1.00 0.00 O ATOM 136 CB LYS A 15 11.595 11.321 -8.998 1.00 0.00 C ATOM 137 CG LYS A 15 12.808 12.162 -9.403 1.00 0.00 C ATOM 138 CD LYS A 15 14.100 11.352 -9.285 1.00 0.00 C ATOM 139 CE LYS A 15 14.377 10.570 -10.571 1.00 0.00 C ATOM 140 NZ LYS A 15 15.112 9.321 -10.270 1.00 0.00 N ATOM 0 H LYS A 15 8.757 11.719 -9.632 1.00 0.00 H new ATOM 0 HA LYS A 15 11.289 11.230 -11.080 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.044 11.828 -8.206 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.929 10.366 -8.593 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.686 12.512 -10.428 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.870 13.047 -8.769 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.935 12.021 -9.075 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.025 10.662 -8.445 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.437 10.334 -11.070 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.958 11.184 -11.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.292 8.803 -11.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.018 9.552 -9.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.544 8.729 -9.631 1.00 0.00 H new ATOM 154 N GLU A 16 11.009 8.698 -10.025 1.00 0.00 N ATOM 155 CA GLU A 16 10.629 7.297 -10.061 1.00 0.00 C ATOM 156 C GLU A 16 9.954 6.896 -8.748 1.00 0.00 C ATOM 157 O GLU A 16 10.584 6.910 -7.692 1.00 0.00 O ATOM 158 CB GLU A 16 11.840 6.407 -10.349 1.00 0.00 C ATOM 159 CG GLU A 16 11.476 4.926 -10.218 1.00 0.00 C ATOM 160 CD GLU A 16 12.711 4.041 -10.393 1.00 0.00 C ATOM 161 OE1 GLU A 16 13.388 3.802 -9.370 1.00 0.00 O ATOM 162 OE2 GLU A 16 12.951 3.622 -11.546 1.00 0.00 O ATOM 0 H GLU A 16 11.990 8.868 -9.802 1.00 0.00 H new ATOM 0 HA GLU A 16 9.915 7.156 -10.872 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.211 6.606 -11.354 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.647 6.649 -9.657 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.028 4.743 -9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.728 4.664 -10.966 1.00 0.00 H new ATOM 169 N LEU A 17 8.680 6.547 -8.857 1.00 0.00 N ATOM 170 CA LEU A 17 7.912 6.143 -7.691 1.00 0.00 C ATOM 171 C LEU A 17 8.787 5.272 -6.787 1.00 0.00 C ATOM 172 O LEU A 17 9.682 4.578 -7.265 1.00 0.00 O ATOM 173 CB LEU A 17 6.606 5.470 -8.117 1.00 0.00 C ATOM 174 CG LEU A 17 5.715 6.274 -9.066 1.00 0.00 C ATOM 175 CD1 LEU A 17 5.802 7.772 -8.762 1.00 0.00 C ATOM 176 CD2 LEU A 17 6.050 5.965 -10.526 1.00 0.00 C ATOM 0 H LEU A 17 8.161 6.536 -9.735 1.00 0.00 H new ATOM 0 HA LEU A 17 7.618 7.015 -7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.849 4.521 -8.595 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.031 5.237 -7.221 1.00 0.00 H new ATOM 0 HG LEU A 17 4.681 5.972 -8.902 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.160 8.321 -9.450 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.477 7.955 -7.738 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.832 8.108 -8.881 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.402 6.550 -11.179 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.091 6.222 -10.723 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.896 4.903 -10.718 1.00 0.00 H new ATOM 188 N VAL A 18 8.497 5.338 -5.496 1.00 0.00 N ATOM 189 CA VAL A 18 9.246 4.564 -4.520 1.00 0.00 C ATOM 190 C VAL A 18 8.684 3.142 -4.464 1.00 0.00 C ATOM 191 O VAL A 18 7.488 2.934 -4.665 1.00 0.00 O ATOM 192 CB VAL A 18 9.222 5.270 -3.163 1.00 0.00 C ATOM 193 CG1 VAL A 18 7.787 5.564 -2.722 1.00 0.00 C ATOM 194 CG2 VAL A 18 9.963 4.449 -2.105 1.00 0.00 C ATOM 0 H VAL A 18 7.754 5.915 -5.103 1.00 0.00 H new ATOM 0 HA VAL A 18 10.293 4.489 -4.814 1.00 0.00 H new ATOM 0 HB VAL A 18 9.740 6.223 -3.272 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.799 6.066 -1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.305 6.207 -3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.233 4.629 -2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.931 4.973 -1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.486 3.475 -2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.001 4.314 -2.410 1.00 0.00 H new ATOM 204 N ASP A 19 9.574 2.199 -4.191 1.00 0.00 N ATOM 205 CA ASP A 19 9.182 0.802 -4.106 1.00 0.00 C ATOM 206 C ASP A 19 8.675 0.504 -2.694 1.00 0.00 C ATOM 207 O ASP A 19 9.306 0.887 -1.710 1.00 0.00 O ATOM 208 CB ASP A 19 10.369 -0.121 -4.387 1.00 0.00 C ATOM 209 CG ASP A 19 10.252 -0.956 -5.664 1.00 0.00 C ATOM 210 OD1 ASP A 19 9.442 -0.558 -6.530 1.00 0.00 O ATOM 211 OD2 ASP A 19 10.973 -1.973 -5.746 1.00 0.00 O ATOM 0 H ASP A 19 10.565 2.375 -4.026 1.00 0.00 H new ATOM 0 HA ASP A 19 8.404 0.624 -4.848 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.274 0.484 -4.448 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.494 -0.796 -3.540 1.00 0.00 H new ATOM 216 N LEU A 20 7.540 -0.177 -2.639 1.00 0.00 N ATOM 217 CA LEU A 20 6.941 -0.531 -1.363 1.00 0.00 C ATOM 218 C LEU A 20 6.274 -1.903 -1.481 1.00 0.00 C ATOM 219 O LEU A 20 5.763 -2.260 -2.541 1.00 0.00 O ATOM 220 CB LEU A 20 5.994 0.574 -0.891 1.00 0.00 C ATOM 221 CG LEU A 20 6.628 1.947 -0.660 1.00 0.00 C ATOM 222 CD1 LEU A 20 5.562 2.995 -0.333 1.00 0.00 C ATOM 223 CD2 LEU A 20 7.712 1.877 0.418 1.00 0.00 C ATOM 0 H LEU A 20 7.019 -0.493 -3.457 1.00 0.00 H new ATOM 0 HA LEU A 20 7.707 -0.613 -0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.198 0.683 -1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.525 0.251 0.039 1.00 0.00 H new ATOM 0 HG LEU A 20 7.114 2.258 -1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.039 3.962 -0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.859 3.070 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.027 2.701 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.146 2.866 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.272 1.534 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.491 1.181 0.106 1.00 0.00 H new ATOM 235 N LYS A 21 6.302 -2.636 -0.377 1.00 0.00 N ATOM 236 CA LYS A 21 5.707 -3.961 -0.343 1.00 0.00 C ATOM 237 C LYS A 21 4.346 -3.886 0.351 1.00 0.00 C ATOM 238 O LYS A 21 4.262 -3.525 1.524 1.00 0.00 O ATOM 239 CB LYS A 21 6.669 -4.964 0.296 1.00 0.00 C ATOM 240 CG LYS A 21 7.280 -5.888 -0.760 1.00 0.00 C ATOM 241 CD LYS A 21 8.701 -6.300 -0.372 1.00 0.00 C ATOM 242 CE LYS A 21 9.070 -7.647 -0.997 1.00 0.00 C ATOM 243 NZ LYS A 21 9.472 -8.612 0.052 1.00 0.00 N ATOM 0 H LYS A 21 6.728 -2.337 0.500 1.00 0.00 H new ATOM 0 HA LYS A 21 5.530 -4.325 -1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.462 -4.430 0.819 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.139 -5.558 1.041 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.659 -6.776 -0.875 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.295 -5.383 -1.726 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.407 -5.537 -0.700 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.782 -6.364 0.713 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.221 -8.041 -1.555 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.885 -7.514 -1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.719 -9.521 -0.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.296 -8.242 0.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.683 -8.752 0.715 1.00 0.00 H new ATOM 257 N ILE A 22 3.313 -4.233 -0.402 1.00 0.00 N ATOM 258 CA ILE A 22 1.959 -4.210 0.126 1.00 0.00 C ATOM 259 C ILE A 22 1.685 -5.518 0.870 1.00 0.00 C ATOM 260 O ILE A 22 1.194 -6.480 0.281 1.00 0.00 O ATOM 261 CB ILE A 22 0.954 -3.914 -0.989 1.00 0.00 C ATOM 262 CG1 ILE A 22 1.465 -2.801 -1.906 1.00 0.00 C ATOM 263 CG2 ILE A 22 -0.426 -3.593 -0.411 1.00 0.00 C ATOM 264 CD1 ILE A 22 1.285 -1.428 -1.255 1.00 0.00 C ATOM 0 H ILE A 22 3.386 -4.532 -1.374 1.00 0.00 H new ATOM 0 HA ILE A 22 1.845 -3.402 0.848 1.00 0.00 H new ATOM 0 HB ILE A 22 0.847 -4.810 -1.600 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.519 -2.965 -2.131 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.928 -2.831 -2.854 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.122 -3.386 -1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.786 -4.444 0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.355 -2.719 0.237 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.656 -0.655 -1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.228 -1.257 -1.054 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.843 -1.393 -0.319 1.00 0.00 H new ATOM 276 N ILE A 23 2.013 -5.512 2.154 1.00 0.00 N ATOM 277 CA ILE A 23 1.808 -6.686 2.984 1.00 0.00 C ATOM 278 C ILE A 23 0.341 -6.751 3.415 1.00 0.00 C ATOM 279 O ILE A 23 -0.220 -5.757 3.873 1.00 0.00 O ATOM 280 CB ILE A 23 2.793 -6.694 4.155 1.00 0.00 C ATOM 281 CG1 ILE A 23 4.208 -6.352 3.683 1.00 0.00 C ATOM 282 CG2 ILE A 23 2.745 -8.027 4.904 1.00 0.00 C ATOM 283 CD1 ILE A 23 4.884 -7.570 3.051 1.00 0.00 C ATOM 0 H ILE A 23 2.419 -4.712 2.639 1.00 0.00 H new ATOM 0 HA ILE A 23 2.015 -7.593 2.417 1.00 0.00 H new ATOM 0 HB ILE A 23 2.492 -5.919 4.860 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.167 -5.538 2.959 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.801 -5.999 4.527 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.455 -8.005 5.731 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.740 -8.190 5.293 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.006 -8.837 4.223 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.888 -7.300 2.724 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.945 -8.374 3.785 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.301 -7.905 2.193 1.00 0.00 H new ATOM 295 N TRP A 24 -0.238 -7.932 3.253 1.00 0.00 N ATOM 296 CA TRP A 24 -1.629 -8.139 3.619 1.00 0.00 C ATOM 297 C TRP A 24 -1.872 -9.647 3.717 1.00 0.00 C ATOM 298 O TRP A 24 -1.945 -10.335 2.700 1.00 0.00 O ATOM 299 CB TRP A 24 -2.566 -7.446 2.628 1.00 0.00 C ATOM 300 CG TRP A 24 -4.048 -7.553 2.994 1.00 0.00 C ATOM 301 CD1 TRP A 24 -4.586 -7.766 4.203 1.00 0.00 C ATOM 302 CD2 TRP A 24 -5.167 -7.442 2.089 1.00 0.00 C ATOM 303 NE1 TRP A 24 -5.965 -7.801 4.143 1.00 0.00 N ATOM 304 CE2 TRP A 24 -6.329 -7.597 2.818 1.00 0.00 C ATOM 305 CE3 TRP A 24 -5.197 -7.218 0.702 1.00 0.00 C ATOM 306 CZ2 TRP A 24 -7.606 -7.546 2.245 1.00 0.00 C ATOM 307 CZ3 TRP A 24 -6.480 -7.169 0.144 1.00 0.00 C ATOM 308 CH2 TRP A 24 -7.659 -7.324 0.863 1.00 0.00 C ATOM 0 H TRP A 24 0.231 -8.755 2.873 1.00 0.00 H new ATOM 0 HA TRP A 24 -1.844 -7.687 4.587 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.294 -6.393 2.562 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.415 -7.877 1.638 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -4.013 -7.894 5.110 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.600 -7.949 4.927 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.301 -7.093 0.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -8.501 -7.671 2.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.559 -6.999 -0.920 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -8.612 -7.273 0.358 1.00 0.00 H new ATOM 319 N ASN A 25 -1.992 -10.115 4.951 1.00 0.00 N ATOM 320 CA ASN A 25 -2.225 -11.528 5.195 1.00 0.00 C ATOM 321 C ASN A 25 -0.962 -12.318 4.844 1.00 0.00 C ATOM 322 O ASN A 25 -0.250 -12.784 5.732 1.00 0.00 O ATOM 323 CB ASN A 25 -3.369 -12.056 4.327 1.00 0.00 C ATOM 324 CG ASN A 25 -4.548 -12.511 5.190 1.00 0.00 C ATOM 325 OD1 ASN A 25 -4.785 -13.690 5.390 1.00 0.00 O ATOM 326 ND2 ASN A 25 -5.271 -11.511 5.688 1.00 0.00 N ATOM 0 H ASN A 25 -1.932 -9.541 5.792 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.484 -11.649 6.247 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.697 -11.277 3.639 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.015 -12.889 3.720 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.080 -11.710 6.277 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.017 -10.545 5.481 1.00 0.00 H new ATOM 333 N LYS A 26 -0.723 -12.443 3.547 1.00 0.00 N ATOM 334 CA LYS A 26 0.442 -13.168 3.068 1.00 0.00 C ATOM 335 C LYS A 26 0.605 -12.926 1.566 1.00 0.00 C ATOM 336 O LYS A 26 0.975 -13.835 0.824 1.00 0.00 O ATOM 337 CB LYS A 26 0.345 -14.647 3.445 1.00 0.00 C ATOM 338 CG LYS A 26 1.203 -14.957 4.674 1.00 0.00 C ATOM 339 CD LYS A 26 2.471 -15.716 4.281 1.00 0.00 C ATOM 340 CE LYS A 26 3.707 -15.095 4.936 1.00 0.00 C ATOM 341 NZ LYS A 26 4.304 -16.035 5.911 1.00 0.00 N ATOM 0 H LYS A 26 -1.316 -12.055 2.813 1.00 0.00 H new ATOM 0 HA LYS A 26 1.346 -12.798 3.552 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.694 -14.907 3.647 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.670 -15.262 2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.472 -14.028 5.177 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.626 -15.549 5.384 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.382 -16.760 4.581 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.585 -15.704 3.197 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.441 -14.839 4.172 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.433 -14.167 5.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.141 -15.598 6.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.607 -16.258 6.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.584 -16.910 5.423 1.00 0.00 H new ATOM 355 N THR A 27 0.320 -11.697 1.162 1.00 0.00 N ATOM 356 CA THR A 27 0.430 -11.324 -0.238 1.00 0.00 C ATOM 357 C THR A 27 1.427 -10.176 -0.407 1.00 0.00 C ATOM 358 O THR A 27 1.539 -9.313 0.463 1.00 0.00 O ATOM 359 CB THR A 27 -0.972 -10.992 -0.751 1.00 0.00 C ATOM 360 OG1 THR A 27 -1.583 -10.299 0.333 1.00 0.00 O ATOM 361 CG2 THR A 27 -1.840 -12.240 -0.932 1.00 0.00 C ATOM 0 H THR A 27 0.013 -10.946 1.780 1.00 0.00 H new ATOM 0 HA THR A 27 0.824 -12.146 -0.836 1.00 0.00 H new ATOM 0 HB THR A 27 -0.895 -10.462 -1.701 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.887 -10.945 1.004 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.825 -11.949 -1.298 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.369 -12.909 -1.652 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.945 -12.752 0.025 1.00 0.00 H new ATOM 369 N LYS A 28 2.125 -10.201 -1.533 1.00 0.00 N ATOM 370 CA LYS A 28 3.109 -9.173 -1.827 1.00 0.00 C ATOM 371 C LYS A 28 2.790 -8.543 -3.185 1.00 0.00 C ATOM 372 O LYS A 28 3.041 -9.147 -4.227 1.00 0.00 O ATOM 373 CB LYS A 28 4.525 -9.743 -1.731 1.00 0.00 C ATOM 374 CG LYS A 28 4.740 -10.856 -2.758 1.00 0.00 C ATOM 375 CD LYS A 28 5.123 -12.169 -2.072 1.00 0.00 C ATOM 376 CE LYS A 28 5.185 -13.317 -3.082 1.00 0.00 C ATOM 377 NZ LYS A 28 3.821 -13.729 -3.482 1.00 0.00 N ATOM 0 H LYS A 28 2.029 -10.917 -2.253 1.00 0.00 H new ATOM 0 HA LYS A 28 3.061 -8.376 -1.085 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.253 -8.948 -1.894 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.697 -10.132 -0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.830 -10.998 -3.341 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.524 -10.564 -3.457 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.090 -12.059 -1.581 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.396 -12.403 -1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.750 -13.006 -3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.714 -14.164 -2.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.870 -14.620 -4.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.237 -13.866 -2.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.396 -12.991 -4.079 1.00 0.00 H new ATOM 391 N HIS A 29 2.244 -7.338 -3.129 1.00 0.00 N ATOM 392 CA HIS A 29 1.889 -6.619 -4.341 1.00 0.00 C ATOM 393 C HIS A 29 2.906 -5.505 -4.594 1.00 0.00 C ATOM 394 O HIS A 29 2.898 -4.484 -3.908 1.00 0.00 O ATOM 395 CB HIS A 29 0.451 -6.103 -4.265 1.00 0.00 C ATOM 396 CG HIS A 29 -0.577 -7.180 -4.014 1.00 0.00 C ATOM 397 ND1 HIS A 29 -0.607 -8.368 -4.724 1.00 0.00 N ATOM 398 CD2 HIS A 29 -1.608 -7.238 -3.123 1.00 0.00 C ATOM 399 CE1 HIS A 29 -1.616 -9.099 -4.274 1.00 0.00 C ATOM 400 NE2 HIS A 29 -2.236 -8.397 -3.282 1.00 0.00 N ATOM 0 H HIS A 29 2.038 -6.840 -2.263 1.00 0.00 H new ATOM 0 HA HIS A 29 1.926 -7.297 -5.194 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.384 -5.360 -3.471 1.00 0.00 H new ATOM 0 HB3 HIS A 29 0.209 -5.595 -5.198 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.869 -6.471 -2.409 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.898 -10.079 -4.630 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.048 -8.711 -2.750 1.00 0.00 H new ATOM 408 N ASP A 30 3.759 -5.739 -5.581 1.00 0.00 N ATOM 409 CA ASP A 30 4.781 -4.768 -5.933 1.00 0.00 C ATOM 410 C ASP A 30 4.121 -3.557 -6.595 1.00 0.00 C ATOM 411 O ASP A 30 3.705 -3.627 -7.751 1.00 0.00 O ATOM 412 CB ASP A 30 5.785 -5.360 -6.924 1.00 0.00 C ATOM 413 CG ASP A 30 5.186 -5.818 -8.255 1.00 0.00 C ATOM 414 OD1 ASP A 30 4.186 -6.565 -8.201 1.00 0.00 O ATOM 415 OD2 ASP A 30 5.743 -5.410 -9.298 1.00 0.00 O ATOM 0 H ASP A 30 3.763 -6.587 -6.148 1.00 0.00 H new ATOM 0 HA ASP A 30 5.302 -4.481 -5.020 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.555 -4.616 -7.126 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.279 -6.210 -6.453 1.00 0.00 H new ATOM 420 N VAL A 31 4.045 -2.475 -5.835 1.00 0.00 N ATOM 421 CA VAL A 31 3.443 -1.250 -6.333 1.00 0.00 C ATOM 422 C VAL A 31 4.429 -0.094 -6.158 1.00 0.00 C ATOM 423 O VAL A 31 5.121 -0.012 -5.144 1.00 0.00 O ATOM 424 CB VAL A 31 2.103 -1.004 -5.636 1.00 0.00 C ATOM 425 CG1 VAL A 31 1.049 -2.009 -6.105 1.00 0.00 C ATOM 426 CG2 VAL A 31 2.261 -1.045 -4.115 1.00 0.00 C ATOM 0 H VAL A 31 4.391 -2.421 -4.877 1.00 0.00 H new ATOM 0 HA VAL A 31 3.229 -1.336 -7.398 1.00 0.00 H new ATOM 0 HB VAL A 31 1.760 -0.006 -5.910 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.106 -1.812 -5.595 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.906 -1.911 -7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.383 -3.021 -5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.294 -0.867 -3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.637 -2.023 -3.814 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.965 -0.274 -3.801 1.00 0.00 H new ATOM 436 N LYS A 32 4.462 0.771 -7.161 1.00 0.00 N ATOM 437 CA LYS A 32 5.352 1.919 -7.130 1.00 0.00 C ATOM 438 C LYS A 32 4.526 3.196 -6.961 1.00 0.00 C ATOM 439 O LYS A 32 3.701 3.523 -7.813 1.00 0.00 O ATOM 440 CB LYS A 32 6.255 1.931 -8.365 1.00 0.00 C ATOM 441 CG LYS A 32 5.489 2.409 -9.600 1.00 0.00 C ATOM 442 CD LYS A 32 6.180 1.951 -10.886 1.00 0.00 C ATOM 443 CE LYS A 32 5.167 1.773 -12.019 1.00 0.00 C ATOM 444 NZ LYS A 32 5.755 0.974 -13.118 1.00 0.00 N ATOM 0 H LYS A 32 3.887 0.700 -8.000 1.00 0.00 H new ATOM 0 HA LYS A 32 6.023 1.857 -6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.110 2.583 -8.188 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.649 0.930 -8.542 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.470 2.022 -9.573 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.417 3.497 -9.589 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.933 2.682 -11.179 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.701 1.010 -10.708 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.272 1.279 -11.641 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.858 2.748 -12.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.055 0.862 -13.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.596 1.461 -13.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.028 0.037 -12.758 1.00 0.00 H new ATOM 458 N VAL A 33 4.775 3.882 -5.855 1.00 0.00 N ATOM 459 CA VAL A 33 4.064 5.115 -5.563 1.00 0.00 C ATOM 460 C VAL A 33 5.074 6.213 -5.225 1.00 0.00 C ATOM 461 O VAL A 33 6.174 5.927 -4.755 1.00 0.00 O ATOM 462 CB VAL A 33 3.043 4.878 -4.448 1.00 0.00 C ATOM 463 CG1 VAL A 33 2.227 3.611 -4.712 1.00 0.00 C ATOM 464 CG2 VAL A 33 3.728 4.816 -3.081 1.00 0.00 C ATOM 0 H VAL A 33 5.459 3.607 -5.150 1.00 0.00 H new ATOM 0 HA VAL A 33 3.502 5.448 -6.435 1.00 0.00 H new ATOM 0 HB VAL A 33 2.355 5.723 -4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.509 3.466 -3.905 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.694 3.712 -5.658 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.895 2.751 -4.762 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.980 4.647 -2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.450 4.000 -3.073 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.243 5.757 -2.889 1.00 0.00 H new ATOM 474 N PRO A 34 4.654 7.480 -5.485 1.00 0.00 N ATOM 475 CA PRO A 34 5.509 8.623 -5.214 1.00 0.00 C ATOM 476 C PRO A 34 5.575 8.915 -3.713 1.00 0.00 C ATOM 477 O PRO A 34 4.617 8.659 -2.985 1.00 0.00 O ATOM 478 CB PRO A 34 4.906 9.765 -6.015 1.00 0.00 C ATOM 479 CG PRO A 34 3.481 9.344 -6.333 1.00 0.00 C ATOM 480 CD PRO A 34 3.358 7.857 -6.041 1.00 0.00 C ATOM 0 HA PRO A 34 6.545 8.452 -5.508 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.921 10.693 -5.444 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.473 9.944 -6.928 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.772 9.911 -5.730 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.247 9.549 -7.378 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.551 7.657 -5.336 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.136 7.293 -6.947 1.00 0.00 H new ATOM 488 N LEU A 35 6.714 9.447 -3.296 1.00 0.00 N ATOM 489 CA LEU A 35 6.917 9.776 -1.895 1.00 0.00 C ATOM 490 C LEU A 35 6.076 11.003 -1.537 1.00 0.00 C ATOM 491 O LEU A 35 5.782 11.238 -0.366 1.00 0.00 O ATOM 492 CB LEU A 35 8.408 9.945 -1.595 1.00 0.00 C ATOM 493 CG LEU A 35 8.931 9.204 -0.362 1.00 0.00 C ATOM 494 CD1 LEU A 35 8.535 7.727 -0.400 1.00 0.00 C ATOM 495 CD2 LEU A 35 10.443 9.388 -0.213 1.00 0.00 C ATOM 0 H LEU A 35 7.506 9.659 -3.903 1.00 0.00 H new ATOM 0 HA LEU A 35 6.577 8.959 -1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.974 9.609 -2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.616 11.008 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 35 8.464 9.639 0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.919 7.224 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.449 7.642 -0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.955 7.261 -1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.789 8.852 0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.946 8.995 -1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.672 10.448 -0.107 1.00 0.00 H new ATOM 507 N ASP A 36 5.711 11.752 -2.567 1.00 0.00 N ATOM 508 CA ASP A 36 4.909 12.949 -2.376 1.00 0.00 C ATOM 509 C ASP A 36 3.508 12.549 -1.911 1.00 0.00 C ATOM 510 O ASP A 36 2.730 13.396 -1.475 1.00 0.00 O ATOM 511 CB ASP A 36 4.768 13.732 -3.683 1.00 0.00 C ATOM 512 CG ASP A 36 3.552 14.657 -3.754 1.00 0.00 C ATOM 513 OD1 ASP A 36 3.592 15.701 -3.067 1.00 0.00 O ATOM 514 OD2 ASP A 36 2.610 14.301 -4.494 1.00 0.00 O ATOM 0 H ASP A 36 5.956 11.553 -3.537 1.00 0.00 H new ATOM 0 HA ASP A 36 5.406 13.573 -1.634 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.668 14.328 -3.831 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.716 13.024 -4.510 1.00 0.00 H new ATOM 519 N SER A 37 3.229 11.258 -2.019 1.00 0.00 N ATOM 520 CA SER A 37 1.935 10.736 -1.614 1.00 0.00 C ATOM 521 C SER A 37 1.691 11.031 -0.133 1.00 0.00 C ATOM 522 O SER A 37 2.530 10.720 0.712 1.00 0.00 O ATOM 523 CB SER A 37 1.840 9.232 -1.879 1.00 0.00 C ATOM 524 OG SER A 37 1.724 8.941 -3.269 1.00 0.00 O ATOM 0 H SER A 37 3.877 10.558 -2.381 1.00 0.00 H new ATOM 0 HA SER A 37 1.166 11.231 -2.207 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.724 8.737 -1.477 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.978 8.824 -1.350 1.00 0.00 H new ATOM 0 HG SER A 37 2.617 8.898 -3.670 1.00 0.00 H new ATOM 530 N THR A 38 0.540 11.627 0.138 1.00 0.00 N ATOM 531 CA THR A 38 0.175 11.968 1.502 1.00 0.00 C ATOM 532 C THR A 38 -0.212 10.708 2.281 1.00 0.00 C ATOM 533 O THR A 38 -0.868 9.818 1.742 1.00 0.00 O ATOM 534 CB THR A 38 -0.939 13.014 1.447 1.00 0.00 C ATOM 535 OG1 THR A 38 -2.035 12.324 0.854 1.00 0.00 O ATOM 536 CG2 THR A 38 -0.633 14.144 0.462 1.00 0.00 C ATOM 0 H THR A 38 -0.153 11.883 -0.565 1.00 0.00 H new ATOM 0 HA THR A 38 1.019 12.400 2.041 1.00 0.00 H new ATOM 0 HB THR A 38 -1.094 13.432 2.442 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.802 12.929 0.782 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.456 14.859 0.462 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.286 14.648 0.761 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.511 13.731 -0.539 1.00 0.00 H new ATOM 544 N GLY A 39 0.211 10.674 3.536 1.00 0.00 N ATOM 545 CA GLY A 39 -0.083 9.539 4.394 1.00 0.00 C ATOM 546 C GLY A 39 -1.552 9.128 4.275 1.00 0.00 C ATOM 547 O GLY A 39 -1.900 7.975 4.526 1.00 0.00 O ATOM 0 H GLY A 39 0.755 11.414 3.979 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.557 8.699 4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.145 9.793 5.429 1.00 0.00 H new ATOM 551 N SER A 40 -2.375 10.093 3.891 1.00 0.00 N ATOM 552 CA SER A 40 -3.798 9.846 3.736 1.00 0.00 C ATOM 553 C SER A 40 -4.061 9.114 2.418 1.00 0.00 C ATOM 554 O SER A 40 -4.905 8.221 2.358 1.00 0.00 O ATOM 555 CB SER A 40 -4.592 11.153 3.785 1.00 0.00 C ATOM 556 OG SER A 40 -5.975 10.947 3.508 1.00 0.00 O ATOM 0 H SER A 40 -2.083 11.048 3.683 1.00 0.00 H new ATOM 0 HA SER A 40 -4.129 9.220 4.565 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.483 11.607 4.770 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.178 11.856 3.062 1.00 0.00 H new ATOM 0 HG SER A 40 -6.419 10.590 4.306 1.00 0.00 H new ATOM 562 N GLU A 41 -3.322 9.519 1.396 1.00 0.00 N ATOM 563 CA GLU A 41 -3.465 8.912 0.083 1.00 0.00 C ATOM 564 C GLU A 41 -3.114 7.425 0.144 1.00 0.00 C ATOM 565 O GLU A 41 -3.696 6.615 -0.576 1.00 0.00 O ATOM 566 CB GLU A 41 -2.604 9.637 -0.953 1.00 0.00 C ATOM 567 CG GLU A 41 -3.427 10.671 -1.724 1.00 0.00 C ATOM 568 CD GLU A 41 -2.859 10.887 -3.128 1.00 0.00 C ATOM 569 OE1 GLU A 41 -2.787 9.884 -3.871 1.00 0.00 O ATOM 570 OE2 GLU A 41 -2.510 12.049 -3.427 1.00 0.00 O ATOM 0 H GLU A 41 -2.623 10.260 1.450 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.505 9.007 -0.228 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.768 10.130 -0.456 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.179 8.913 -1.649 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.463 10.338 -1.794 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.432 11.616 -1.180 1.00 0.00 H new ATOM 577 N LEU A 42 -2.162 7.109 1.011 1.00 0.00 N ATOM 578 CA LEU A 42 -1.726 5.733 1.175 1.00 0.00 C ATOM 579 C LEU A 42 -2.947 4.812 1.177 1.00 0.00 C ATOM 580 O LEU A 42 -3.017 3.866 0.394 1.00 0.00 O ATOM 581 CB LEU A 42 -0.850 5.595 2.422 1.00 0.00 C ATOM 582 CG LEU A 42 0.659 5.711 2.198 1.00 0.00 C ATOM 583 CD1 LEU A 42 1.370 6.164 3.474 1.00 0.00 C ATOM 584 CD2 LEU A 42 1.235 4.401 1.655 1.00 0.00 C ATOM 0 H LEU A 42 -1.681 7.783 1.607 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.099 5.429 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.151 6.359 3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.056 4.628 2.881 1.00 0.00 H new ATOM 0 HG LEU A 42 0.834 6.477 1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.441 6.238 3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.986 7.138 3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.190 5.439 4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.309 4.510 1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.048 3.598 2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.758 4.160 0.705 1.00 0.00 H new ATOM 596 N LYS A 43 -3.881 5.121 2.065 1.00 0.00 N ATOM 597 CA LYS A 43 -5.096 4.333 2.178 1.00 0.00 C ATOM 598 C LYS A 43 -5.673 4.089 0.782 1.00 0.00 C ATOM 599 O LYS A 43 -5.884 2.945 0.385 1.00 0.00 O ATOM 600 CB LYS A 43 -6.079 5.000 3.142 1.00 0.00 C ATOM 601 CG LYS A 43 -5.815 4.562 4.584 1.00 0.00 C ATOM 602 CD LYS A 43 -4.592 5.278 5.160 1.00 0.00 C ATOM 603 CE LYS A 43 -4.881 6.763 5.385 1.00 0.00 C ATOM 604 NZ LYS A 43 -5.965 6.935 6.377 1.00 0.00 N ATOM 0 H LYS A 43 -3.820 5.907 2.713 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.877 3.355 2.608 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.990 6.084 3.065 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.100 4.743 2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.689 4.777 5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.659 3.484 4.617 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.305 4.813 6.103 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.748 5.167 4.480 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.979 7.267 5.732 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.165 7.231 4.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.765 7.430 5.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.278 6.002 6.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.614 7.494 7.181 1.00 0.00 H new ATOM 618 N GLN A 44 -5.911 5.185 0.076 1.00 0.00 N ATOM 619 CA GLN A 44 -6.460 5.105 -1.267 1.00 0.00 C ATOM 620 C GLN A 44 -5.450 4.453 -2.215 1.00 0.00 C ATOM 621 O GLN A 44 -5.825 3.936 -3.266 1.00 0.00 O ATOM 622 CB GLN A 44 -6.874 6.487 -1.774 1.00 0.00 C ATOM 623 CG GLN A 44 -7.881 7.140 -0.824 1.00 0.00 C ATOM 624 CD GLN A 44 -9.314 6.929 -1.316 1.00 0.00 C ATOM 625 OE1 GLN A 44 -9.804 7.617 -2.196 1.00 0.00 O ATOM 626 NE2 GLN A 44 -9.957 5.941 -0.699 1.00 0.00 N ATOM 0 H GLN A 44 -5.734 6.133 0.409 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.355 4.483 -1.236 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.993 7.122 -1.869 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.312 6.398 -2.768 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.770 6.719 0.175 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.673 8.207 -0.745 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.487 5.404 0.030 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.920 5.721 -0.955 1.00 0.00 H new ATOM 635 N LYS A 45 -4.190 4.501 -1.809 1.00 0.00 N ATOM 636 CA LYS A 45 -3.124 3.922 -2.608 1.00 0.00 C ATOM 637 C LYS A 45 -3.094 2.407 -2.391 1.00 0.00 C ATOM 638 O LYS A 45 -2.734 1.654 -3.295 1.00 0.00 O ATOM 639 CB LYS A 45 -1.792 4.612 -2.306 1.00 0.00 C ATOM 640 CG LYS A 45 -1.130 5.112 -3.592 1.00 0.00 C ATOM 641 CD LYS A 45 -2.081 6.009 -4.386 1.00 0.00 C ATOM 642 CE LYS A 45 -2.368 5.418 -5.767 1.00 0.00 C ATOM 643 NZ LYS A 45 -2.529 6.495 -6.769 1.00 0.00 N ATOM 0 H LYS A 45 -3.883 4.932 -0.937 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.310 4.089 -3.669 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.958 5.450 -1.628 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.125 3.917 -1.796 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.223 5.665 -3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.830 4.262 -4.205 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.015 6.130 -3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.644 7.002 -4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.553 4.757 -6.063 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.273 4.811 -5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.723 6.076 -7.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.321 7.110 -6.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.655 7.057 -6.818 1.00 0.00 H new ATOM 657 N ILE A 46 -3.478 2.006 -1.188 1.00 0.00 N ATOM 658 CA ILE A 46 -3.500 0.595 -0.842 1.00 0.00 C ATOM 659 C ILE A 46 -4.860 0.003 -1.219 1.00 0.00 C ATOM 660 O ILE A 46 -4.931 -1.099 -1.762 1.00 0.00 O ATOM 661 CB ILE A 46 -3.132 0.400 0.630 1.00 0.00 C ATOM 662 CG1 ILE A 46 -1.923 1.256 1.012 1.00 0.00 C ATOM 663 CG2 ILE A 46 -2.909 -1.080 0.947 1.00 0.00 C ATOM 664 CD1 ILE A 46 -2.101 1.868 2.403 1.00 0.00 C ATOM 0 H ILE A 46 -3.776 2.633 -0.441 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.746 0.051 -1.411 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.970 0.738 1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.020 0.646 0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.788 2.049 0.277 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.649 -1.191 2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.821 -1.638 0.738 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.098 -1.466 0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.227 2.471 2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.991 2.497 2.413 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.212 1.072 3.139 1.00 0.00 H new ATOM 676 N HIS A 47 -5.904 0.761 -0.918 1.00 0.00 N ATOM 677 CA HIS A 47 -7.257 0.325 -1.219 1.00 0.00 C ATOM 678 C HIS A 47 -7.400 0.098 -2.725 1.00 0.00 C ATOM 679 O HIS A 47 -8.183 -0.746 -3.158 1.00 0.00 O ATOM 680 CB HIS A 47 -8.283 1.317 -0.669 1.00 0.00 C ATOM 681 CG HIS A 47 -9.513 1.469 -1.531 1.00 0.00 C ATOM 682 ND1 HIS A 47 -10.386 0.537 -2.011 1.00 0.00 N flip ATOM 683 CD2 HIS A 47 -9.959 2.696 -1.991 1.00 0.00 C flip ATOM 684 CE1 HIS A 47 -11.315 1.161 -2.725 1.00 0.00 C flip ATOM 685 NE2 HIS A 47 -11.052 2.499 -2.715 1.00 0.00 N flip ATOM 0 H HIS A 47 -5.840 1.675 -0.469 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.455 -0.625 -0.723 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -8.587 0.995 0.327 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -7.807 2.291 -0.557 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -10.334 -0.469 -1.849 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.495 3.651 -1.794 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -12.143 0.687 -3.231 1.00 0.00 H new ATOM 693 N SER A 48 -6.630 0.866 -3.482 1.00 0.00 N ATOM 694 CA SER A 48 -6.661 0.760 -4.931 1.00 0.00 C ATOM 695 C SER A 48 -6.053 -0.573 -5.371 1.00 0.00 C ATOM 696 O SER A 48 -6.182 -0.966 -6.530 1.00 0.00 O ATOM 697 CB SER A 48 -5.916 1.925 -5.585 1.00 0.00 C ATOM 698 OG SER A 48 -6.805 2.831 -6.233 1.00 0.00 O ATOM 0 H SER A 48 -5.981 1.564 -3.119 1.00 0.00 H new ATOM 0 HA SER A 48 -7.701 0.802 -5.255 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.342 2.459 -4.828 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.202 1.537 -6.311 1.00 0.00 H new ATOM 0 HG SER A 48 -6.291 3.561 -6.636 1.00 0.00 H new ATOM 704 N ILE A 49 -5.403 -1.232 -4.423 1.00 0.00 N ATOM 705 CA ILE A 49 -4.775 -2.513 -4.698 1.00 0.00 C ATOM 706 C ILE A 49 -5.500 -3.611 -3.917 1.00 0.00 C ATOM 707 O ILE A 49 -6.041 -4.544 -4.508 1.00 0.00 O ATOM 708 CB ILE A 49 -3.273 -2.445 -4.413 1.00 0.00 C ATOM 709 CG1 ILE A 49 -2.738 -1.028 -4.628 1.00 0.00 C ATOM 710 CG2 ILE A 49 -2.510 -3.478 -5.244 1.00 0.00 C ATOM 711 CD1 ILE A 49 -1.264 -0.932 -4.227 1.00 0.00 C ATOM 0 H ILE A 49 -5.298 -0.903 -3.463 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.865 -2.762 -5.755 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.113 -2.694 -3.364 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.853 -0.747 -5.675 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.325 -0.321 -4.042 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.445 -3.408 -5.022 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.867 -4.478 -4.998 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.673 -3.285 -6.304 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.908 0.085 -4.390 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.156 -1.190 -3.174 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.677 -1.623 -4.832 1.00 0.00 H new ATOM 723 N THR A 50 -5.487 -3.463 -2.600 1.00 0.00 N ATOM 724 CA THR A 50 -6.136 -4.430 -1.732 1.00 0.00 C ATOM 725 C THR A 50 -7.583 -4.657 -2.176 1.00 0.00 C ATOM 726 O THR A 50 -8.096 -5.772 -2.085 1.00 0.00 O ATOM 727 CB THR A 50 -6.014 -3.929 -0.292 1.00 0.00 C ATOM 728 OG1 THR A 50 -6.672 -2.665 -0.307 1.00 0.00 O ATOM 729 CG2 THR A 50 -4.571 -3.594 0.091 1.00 0.00 C ATOM 0 H THR A 50 -5.037 -2.688 -2.113 1.00 0.00 H new ATOM 0 HA THR A 50 -5.653 -5.405 -1.794 1.00 0.00 H new ATOM 0 HB THR A 50 -6.404 -4.685 0.390 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.363 -2.126 0.451 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.540 -3.243 1.123 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.952 -4.486 -0.008 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.191 -2.814 -0.569 1.00 0.00 H new ATOM 737 N GLY A 51 -8.200 -3.583 -2.646 1.00 0.00 N ATOM 738 CA GLY A 51 -9.577 -3.652 -3.104 1.00 0.00 C ATOM 739 C GLY A 51 -10.552 -3.410 -1.950 1.00 0.00 C ATOM 740 O GLY A 51 -11.680 -2.972 -2.167 1.00 0.00 O ATOM 0 H GLY A 51 -7.772 -2.660 -2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.742 -2.910 -3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.768 -4.629 -3.547 1.00 0.00 H new ATOM 744 N LEU A 52 -10.080 -3.706 -0.748 1.00 0.00 N ATOM 745 CA LEU A 52 -10.895 -3.527 0.442 1.00 0.00 C ATOM 746 C LEU A 52 -10.968 -2.037 0.785 1.00 0.00 C ATOM 747 O LEU A 52 -10.211 -1.234 0.241 1.00 0.00 O ATOM 748 CB LEU A 52 -10.372 -4.397 1.586 1.00 0.00 C ATOM 749 CG LEU A 52 -9.361 -3.734 2.524 1.00 0.00 C ATOM 750 CD1 LEU A 52 -9.741 -3.961 3.989 1.00 0.00 C ATOM 751 CD2 LEU A 52 -7.939 -4.210 2.220 1.00 0.00 C ATOM 0 H LEU A 52 -9.143 -4.069 -0.572 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.916 -3.863 0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.223 -4.732 2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.911 -5.287 1.158 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.386 -2.658 2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.006 -3.480 4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.726 -3.535 4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.762 -5.031 4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.239 -3.724 2.900 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.881 -5.291 2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.682 -3.955 1.192 1.00 0.00 H new ATOM 763 N PRO A 53 -11.909 -1.706 1.708 1.00 0.00 N ATOM 764 CA PRO A 53 -12.090 -0.327 2.130 1.00 0.00 C ATOM 765 C PRO A 53 -10.965 0.111 3.069 1.00 0.00 C ATOM 766 O PRO A 53 -10.457 -0.690 3.852 1.00 0.00 O ATOM 767 CB PRO A 53 -13.460 -0.294 2.789 1.00 0.00 C ATOM 768 CG PRO A 53 -13.795 -1.738 3.127 1.00 0.00 C ATOM 769 CD PRO A 53 -12.823 -2.631 2.373 1.00 0.00 C ATOM 0 HA PRO A 53 -12.045 0.377 1.299 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -13.447 0.324 3.687 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -14.206 0.133 2.119 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.714 -1.907 4.201 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -14.822 -1.968 2.844 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.289 -3.296 3.051 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.343 -3.261 1.652 1.00 0.00 H new ATOM 777 N PRO A 54 -10.598 1.416 2.957 1.00 0.00 N ATOM 778 CA PRO A 54 -9.542 1.971 3.787 1.00 0.00 C ATOM 779 C PRO A 54 -10.031 2.195 5.219 1.00 0.00 C ATOM 780 O PRO A 54 -9.237 2.185 6.159 1.00 0.00 O ATOM 781 CB PRO A 54 -9.130 3.258 3.091 1.00 0.00 C ATOM 782 CG PRO A 54 -10.278 3.614 2.160 1.00 0.00 C ATOM 783 CD PRO A 54 -11.177 2.394 2.041 1.00 0.00 C ATOM 0 HA PRO A 54 -8.690 1.299 3.889 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -8.953 4.054 3.814 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.203 3.121 2.534 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.837 4.464 2.551 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.899 3.906 1.181 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.205 2.632 2.314 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.198 2.016 1.019 1.00 0.00 H new ATOM 791 N ALA A 55 -11.335 2.393 5.341 1.00 0.00 N ATOM 792 CA ALA A 55 -11.939 2.620 6.643 1.00 0.00 C ATOM 793 C ALA A 55 -11.668 1.413 7.543 1.00 0.00 C ATOM 794 O ALA A 55 -11.817 1.496 8.762 1.00 0.00 O ATOM 795 CB ALA A 55 -13.434 2.895 6.472 1.00 0.00 C ATOM 0 H ALA A 55 -11.990 2.401 4.560 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.500 3.495 7.122 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.887 3.065 7.449 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.572 3.779 5.849 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.910 2.037 5.996 1.00 0.00 H new ATOM 801 N MET A 56 -11.276 0.318 6.909 1.00 0.00 N ATOM 802 CA MET A 56 -10.983 -0.905 7.637 1.00 0.00 C ATOM 803 C MET A 56 -9.481 -1.195 7.641 1.00 0.00 C ATOM 804 O MET A 56 -8.948 -1.716 8.619 1.00 0.00 O ATOM 805 CB MET A 56 -11.727 -2.075 6.990 1.00 0.00 C ATOM 806 CG MET A 56 -12.878 -2.551 7.879 1.00 0.00 C ATOM 807 SD MET A 56 -12.250 -3.596 9.183 1.00 0.00 S ATOM 808 CE MET A 56 -13.754 -3.886 10.100 1.00 0.00 C ATOM 0 H MET A 56 -11.154 0.252 5.898 1.00 0.00 H new ATOM 0 HA MET A 56 -11.312 -0.779 8.668 1.00 0.00 H new ATOM 0 HB2 MET A 56 -12.115 -1.771 6.018 1.00 0.00 H new ATOM 0 HB3 MET A 56 -11.035 -2.898 6.813 1.00 0.00 H new ATOM 0 HG2 MET A 56 -13.397 -1.693 8.307 1.00 0.00 H new ATOM 0 HG3 MET A 56 -13.607 -3.099 7.282 1.00 0.00 H new ATOM 0 HE1 MET A 56 -13.541 -4.526 10.956 1.00 0.00 H new ATOM 0 HE2 MET A 56 -14.156 -2.935 10.450 1.00 0.00 H new ATOM 0 HE3 MET A 56 -14.485 -4.374 9.455 1.00 0.00 H new ATOM 818 N GLN A 57 -8.840 -0.843 6.535 1.00 0.00 N ATOM 819 CA GLN A 57 -7.410 -1.059 6.399 1.00 0.00 C ATOM 820 C GLN A 57 -6.657 -0.367 7.537 1.00 0.00 C ATOM 821 O GLN A 57 -7.046 0.715 7.976 1.00 0.00 O ATOM 822 CB GLN A 57 -6.910 -0.574 5.037 1.00 0.00 C ATOM 823 CG GLN A 57 -7.327 -1.538 3.924 1.00 0.00 C ATOM 824 CD GLN A 57 -6.534 -1.273 2.643 1.00 0.00 C ATOM 825 OE1 GLN A 57 -5.763 -2.095 2.177 1.00 0.00 O ATOM 826 NE2 GLN A 57 -6.766 -0.081 2.101 1.00 0.00 N ATOM 0 H GLN A 57 -9.285 -0.410 5.726 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.217 -2.130 6.461 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.310 0.419 4.831 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.824 -0.483 5.056 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.166 -2.566 4.249 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.393 -1.430 3.725 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.425 0.561 2.543 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.285 0.192 1.244 1.00 0.00 H new ATOM 835 N LYS A 58 -5.594 -1.019 7.983 1.00 0.00 N ATOM 836 CA LYS A 58 -4.784 -0.479 9.062 1.00 0.00 C ATOM 837 C LYS A 58 -3.368 -0.211 8.546 1.00 0.00 C ATOM 838 O LYS A 58 -2.514 -1.095 8.579 1.00 0.00 O ATOM 839 CB LYS A 58 -4.829 -1.404 10.280 1.00 0.00 C ATOM 840 CG LYS A 58 -4.997 -0.602 11.572 1.00 0.00 C ATOM 841 CD LYS A 58 -4.606 -1.438 12.792 1.00 0.00 C ATOM 842 CE LYS A 58 -4.738 -0.624 14.080 1.00 0.00 C ATOM 843 NZ LYS A 58 -3.627 0.347 14.196 1.00 0.00 N ATOM 0 H LYS A 58 -5.275 -1.916 7.617 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.187 0.476 9.400 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.654 -2.109 10.175 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.912 -1.991 10.329 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.380 0.296 11.529 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.032 -0.274 11.668 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.241 -2.322 12.850 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.580 -1.789 12.683 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.692 -0.097 14.088 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.736 -1.292 14.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.570 0.695 15.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.732 -0.117 13.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.797 1.147 13.554 1.00 0.00 H new ATOM 857 N VAL A 59 -3.165 1.014 8.083 1.00 0.00 N ATOM 858 CA VAL A 59 -1.868 1.410 7.561 1.00 0.00 C ATOM 859 C VAL A 59 -0.909 1.661 8.726 1.00 0.00 C ATOM 860 O VAL A 59 -1.033 2.660 9.432 1.00 0.00 O ATOM 861 CB VAL A 59 -2.022 2.623 6.641 1.00 0.00 C ATOM 862 CG1 VAL A 59 -0.719 2.914 5.894 1.00 0.00 C ATOM 863 CG2 VAL A 59 -3.183 2.426 5.664 1.00 0.00 C ATOM 0 H VAL A 59 -3.876 1.745 8.059 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.441 0.611 6.955 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.251 3.488 7.263 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.856 3.781 5.247 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.074 3.119 6.613 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.446 2.050 5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.271 3.302 5.022 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.997 1.544 5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.109 2.291 6.222 1.00 0.00 H new ATOM 873 N MET A 60 0.026 0.737 8.891 1.00 0.00 N ATOM 874 CA MET A 60 1.006 0.846 9.959 1.00 0.00 C ATOM 875 C MET A 60 2.327 0.184 9.560 1.00 0.00 C ATOM 876 O MET A 60 2.364 -1.011 9.271 1.00 0.00 O ATOM 877 CB MET A 60 0.460 0.178 11.222 1.00 0.00 C ATOM 878 CG MET A 60 -0.037 1.222 12.223 1.00 0.00 C ATOM 879 SD MET A 60 -0.332 0.457 13.809 1.00 0.00 S ATOM 880 CE MET A 60 1.349 0.131 14.313 1.00 0.00 C ATOM 0 H MET A 60 0.126 -0.091 8.303 1.00 0.00 H new ATOM 0 HA MET A 60 1.194 1.903 10.149 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.356 -0.495 10.958 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.239 -0.430 11.682 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.700 2.019 12.326 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.954 1.682 11.856 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.457 0.340 15.377 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.590 -0.915 14.122 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.029 0.769 13.748 1.00 0.00 H new ATOM 890 N TYR A 61 3.378 0.990 9.558 1.00 0.00 N ATOM 891 CA TYR A 61 4.698 0.497 9.200 1.00 0.00 C ATOM 892 C TYR A 61 5.725 0.848 10.278 1.00 0.00 C ATOM 893 O TYR A 61 6.176 1.989 10.364 1.00 0.00 O ATOM 894 CB TYR A 61 5.076 1.211 7.901 1.00 0.00 C ATOM 895 CG TYR A 61 6.576 1.202 7.600 1.00 0.00 C ATOM 896 CD1 TYR A 61 7.330 0.082 7.884 1.00 0.00 C ATOM 897 CD2 TYR A 61 7.175 2.315 7.045 1.00 0.00 C ATOM 898 CE1 TYR A 61 8.742 0.074 7.601 1.00 0.00 C ATOM 899 CE2 TYR A 61 8.587 2.307 6.762 1.00 0.00 C ATOM 900 CZ TYR A 61 9.301 1.186 7.054 1.00 0.00 C ATOM 901 OH TYR A 61 10.635 1.179 6.787 1.00 0.00 O ATOM 0 H TYR A 61 3.343 1.981 9.798 1.00 0.00 H new ATOM 0 HA TYR A 61 4.687 -0.588 9.093 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.547 0.740 7.072 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.732 2.244 7.953 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.861 -0.789 8.318 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.585 3.192 6.823 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.344 -0.796 7.819 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.068 3.171 6.328 1.00 0.00 H new ATOM 0 HH TYR A 61 10.895 2.040 6.397 1.00 0.00 H new ATOM 911 N LYS A 62 6.065 -0.154 11.075 1.00 0.00 N ATOM 912 CA LYS A 62 7.030 0.034 12.145 1.00 0.00 C ATOM 913 C LYS A 62 6.683 1.305 12.921 1.00 0.00 C ATOM 914 O LYS A 62 7.555 1.920 13.534 1.00 0.00 O ATOM 915 CB LYS A 62 8.455 0.023 11.588 1.00 0.00 C ATOM 916 CG LYS A 62 9.035 -1.393 11.591 1.00 0.00 C ATOM 917 CD LYS A 62 10.519 -1.378 11.960 1.00 0.00 C ATOM 918 CE LYS A 62 11.393 -1.236 10.712 1.00 0.00 C ATOM 919 NZ LYS A 62 12.510 -2.206 10.748 1.00 0.00 N ATOM 0 H LYS A 62 5.689 -1.099 11.001 1.00 0.00 H new ATOM 0 HA LYS A 62 6.982 -0.794 12.852 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.455 0.417 10.572 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.088 0.680 12.185 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.487 -2.013 12.301 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.906 -1.845 10.607 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.719 -0.553 12.644 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.776 -2.298 12.486 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.790 -1.399 9.818 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.787 -0.221 10.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.093 -2.096 9.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.094 -2.032 11.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.129 -3.173 10.785 1.00 0.00 H new ATOM 933 N GLY A 63 5.408 1.662 12.871 1.00 0.00 N ATOM 934 CA GLY A 63 4.936 2.849 13.562 1.00 0.00 C ATOM 935 C GLY A 63 3.738 3.466 12.836 1.00 0.00 C ATOM 936 O GLY A 63 3.619 3.349 11.618 1.00 0.00 O ATOM 0 H GLY A 63 4.687 1.150 12.362 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.654 2.592 14.583 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.742 3.580 13.628 1.00 0.00 H new ATOM 940 N LEU A 64 2.881 4.109 13.616 1.00 0.00 N ATOM 941 CA LEU A 64 1.698 4.744 13.063 1.00 0.00 C ATOM 942 C LEU A 64 2.113 5.696 11.939 1.00 0.00 C ATOM 943 O LEU A 64 3.130 6.380 12.043 1.00 0.00 O ATOM 944 CB LEU A 64 0.884 5.418 14.170 1.00 0.00 C ATOM 945 CG LEU A 64 0.031 4.490 15.035 1.00 0.00 C ATOM 946 CD1 LEU A 64 -1.351 4.277 14.414 1.00 0.00 C ATOM 947 CD2 LEU A 64 0.752 3.166 15.295 1.00 0.00 C ATOM 0 H LEU A 64 2.983 4.203 14.626 1.00 0.00 H new ATOM 0 HA LEU A 64 1.037 3.998 12.622 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.571 5.959 14.821 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.229 6.159 13.712 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.121 4.970 16.002 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.937 3.613 15.050 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.861 5.236 14.323 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.241 3.830 13.426 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.123 2.525 15.913 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.955 2.670 14.346 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.692 3.359 15.812 1.00 0.00 H new ATOM 959 N VAL A 65 1.305 5.708 10.889 1.00 0.00 N ATOM 960 CA VAL A 65 1.575 6.564 9.746 1.00 0.00 C ATOM 961 C VAL A 65 0.660 7.789 9.804 1.00 0.00 C ATOM 962 O VAL A 65 -0.559 7.663 9.703 1.00 0.00 O ATOM 963 CB VAL A 65 1.427 5.767 8.449 1.00 0.00 C ATOM 964 CG1 VAL A 65 1.268 6.701 7.247 1.00 0.00 C ATOM 965 CG2 VAL A 65 2.608 4.816 8.251 1.00 0.00 C ATOM 0 H VAL A 65 0.463 5.138 10.806 1.00 0.00 H new ATOM 0 HA VAL A 65 2.603 6.925 9.774 1.00 0.00 H new ATOM 0 HB VAL A 65 0.522 5.165 8.528 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.165 6.109 6.338 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.380 7.318 7.381 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.146 7.341 7.165 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.477 4.262 7.322 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.533 5.390 8.204 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.656 4.117 9.086 1.00 0.00 H new ATOM 975 N PRO A 66 1.300 8.978 9.970 1.00 0.00 N ATOM 976 CA PRO A 66 0.557 10.224 10.042 1.00 0.00 C ATOM 977 C PRO A 66 0.059 10.646 8.658 1.00 0.00 C ATOM 978 O PRO A 66 0.789 10.545 7.674 1.00 0.00 O ATOM 979 CB PRO A 66 1.524 11.224 10.655 1.00 0.00 C ATOM 980 CG PRO A 66 2.910 10.627 10.475 1.00 0.00 C ATOM 981 CD PRO A 66 2.743 9.165 10.093 1.00 0.00 C ATOM 0 HA PRO A 66 -0.346 10.141 10.647 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.449 12.193 10.161 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.302 11.386 11.710 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.459 11.163 9.701 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.487 10.717 11.395 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.253 8.939 9.156 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.165 8.506 10.852 1.00 0.00 H new ATOM 989 N GLU A 67 -1.182 11.110 8.628 1.00 0.00 N ATOM 990 CA GLU A 67 -1.787 11.548 7.381 1.00 0.00 C ATOM 991 C GLU A 67 -1.365 12.984 7.062 1.00 0.00 C ATOM 992 O GLU A 67 -1.247 13.355 5.895 1.00 0.00 O ATOM 993 CB GLU A 67 -3.310 11.424 7.437 1.00 0.00 C ATOM 994 CG GLU A 67 -3.743 9.957 7.403 1.00 0.00 C ATOM 995 CD GLU A 67 -5.243 9.834 7.130 1.00 0.00 C ATOM 996 OE1 GLU A 67 -5.647 10.202 6.006 1.00 0.00 O ATOM 997 OE2 GLU A 67 -5.952 9.374 8.051 1.00 0.00 O ATOM 0 H GLU A 67 -1.785 11.192 9.447 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.432 10.899 6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.684 11.896 8.346 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.753 11.957 6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.185 9.427 6.631 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.503 9.481 8.354 1.00 0.00 H new ATOM 1004 N ASP A 68 -1.148 13.752 8.119 1.00 0.00 N ATOM 1005 CA ASP A 68 -0.742 15.139 7.967 1.00 0.00 C ATOM 1006 C ASP A 68 0.645 15.191 7.322 1.00 0.00 C ATOM 1007 O ASP A 68 1.002 16.184 6.690 1.00 0.00 O ATOM 1008 CB ASP A 68 -0.660 15.841 9.323 1.00 0.00 C ATOM 1009 CG ASP A 68 -1.551 17.077 9.467 1.00 0.00 C ATOM 1010 OD1 ASP A 68 -1.960 17.607 8.411 1.00 0.00 O ATOM 1011 OD2 ASP A 68 -1.804 17.463 10.628 1.00 0.00 O ATOM 0 H ASP A 68 -1.246 13.440 9.085 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.483 15.642 7.346 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.927 15.127 10.102 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.374 16.135 9.501 1.00 0.00 H new ATOM 1016 N LYS A 69 1.388 14.110 7.506 1.00 0.00 N ATOM 1017 CA LYS A 69 2.728 14.021 6.950 1.00 0.00 C ATOM 1018 C LYS A 69 2.756 12.938 5.870 1.00 0.00 C ATOM 1019 O LYS A 69 2.167 11.872 6.039 1.00 0.00 O ATOM 1020 CB LYS A 69 3.756 13.807 8.063 1.00 0.00 C ATOM 1021 CG LYS A 69 3.712 14.950 9.079 1.00 0.00 C ATOM 1022 CD LYS A 69 5.027 15.732 9.082 1.00 0.00 C ATOM 1023 CE LYS A 69 4.939 16.947 10.007 1.00 0.00 C ATOM 1024 NZ LYS A 69 4.833 18.194 9.217 1.00 0.00 N ATOM 0 H LYS A 69 1.088 13.289 8.032 1.00 0.00 H new ATOM 0 HA LYS A 69 3.004 14.959 6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.560 12.861 8.567 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.755 13.738 7.632 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.886 15.621 8.841 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.521 14.549 10.074 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.840 15.082 9.405 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.263 16.058 8.069 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.074 16.850 10.663 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.820 16.989 10.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.774 19.009 9.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.671 18.292 8.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.979 18.158 8.625 1.00 0.00 H new ATOM 1038 N THR A 70 3.447 13.249 4.783 1.00 0.00 N ATOM 1039 CA THR A 70 3.560 12.316 3.675 1.00 0.00 C ATOM 1040 C THR A 70 4.620 11.255 3.978 1.00 0.00 C ATOM 1041 O THR A 70 5.374 11.383 4.940 1.00 0.00 O ATOM 1042 CB THR A 70 3.851 13.121 2.407 1.00 0.00 C ATOM 1043 OG1 THR A 70 5.225 13.477 2.529 1.00 0.00 O ATOM 1044 CG2 THR A 70 3.119 14.464 2.385 1.00 0.00 C ATOM 0 H THR A 70 3.934 14.134 4.646 1.00 0.00 H new ATOM 0 HA THR A 70 2.630 11.768 3.523 1.00 0.00 H new ATOM 0 HB THR A 70 3.564 12.537 1.533 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.498 14.000 1.747 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.360 14.995 1.464 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.044 14.293 2.434 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.431 15.062 3.241 1.00 0.00 H new ATOM 1052 N LEU A 71 4.642 10.230 3.137 1.00 0.00 N ATOM 1053 CA LEU A 71 5.597 9.148 3.303 1.00 0.00 C ATOM 1054 C LEU A 71 6.989 9.733 3.548 1.00 0.00 C ATOM 1055 O LEU A 71 7.606 9.466 4.578 1.00 0.00 O ATOM 1056 CB LEU A 71 5.533 8.191 2.110 1.00 0.00 C ATOM 1057 CG LEU A 71 4.232 7.402 1.951 1.00 0.00 C ATOM 1058 CD1 LEU A 71 4.004 7.010 0.490 1.00 0.00 C ATOM 1059 CD2 LEU A 71 4.209 6.188 2.882 1.00 0.00 C ATOM 0 H LEU A 71 4.014 10.127 2.340 1.00 0.00 H new ATOM 0 HA LEU A 71 5.345 8.549 4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.699 8.766 1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.357 7.482 2.194 1.00 0.00 H new ATOM 0 HG LEU A 71 3.403 8.047 2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.073 6.450 0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.944 7.909 -0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.832 6.391 0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.273 5.645 2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.046 5.532 2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.291 6.521 3.917 1.00 0.00 H new ATOM 1071 N ARG A 72 7.442 10.522 2.585 1.00 0.00 N ATOM 1072 CA ARG A 72 8.749 11.148 2.683 1.00 0.00 C ATOM 1073 C ARG A 72 8.896 11.862 4.028 1.00 0.00 C ATOM 1074 O ARG A 72 10.011 12.110 4.485 1.00 0.00 O ATOM 1075 CB ARG A 72 8.964 12.156 1.552 1.00 0.00 C ATOM 1076 CG ARG A 72 10.391 12.708 1.573 1.00 0.00 C ATOM 1077 CD ARG A 72 10.388 14.238 1.548 1.00 0.00 C ATOM 1078 NE ARG A 72 10.214 14.720 0.159 1.00 0.00 N ATOM 1079 CZ ARG A 72 10.184 16.014 -0.188 1.00 0.00 C ATOM 1080 NH1 ARG A 72 10.315 16.963 0.749 1.00 0.00 N ATOM 1081 NH2 ARG A 72 10.022 16.359 -1.473 1.00 0.00 N ATOM 0 H ARG A 72 6.927 10.742 1.733 1.00 0.00 H new ATOM 0 HA ARG A 72 9.500 10.362 2.601 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.769 11.678 0.592 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.252 12.975 1.650 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.908 12.356 2.466 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.944 12.328 0.714 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.584 14.619 2.178 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.323 14.619 1.960 1.00 0.00 H new ATOM 0 HE ARG A 72 10.111 14.024 -0.580 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.438 16.701 1.727 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.292 17.948 0.484 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.922 15.637 -2.186 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.999 17.344 -1.738 1.00 0.00 H new ATOM 1095 N GLU A 73 7.755 12.172 4.625 1.00 0.00 N ATOM 1096 CA GLU A 73 7.742 12.853 5.909 1.00 0.00 C ATOM 1097 C GLU A 73 7.618 11.838 7.047 1.00 0.00 C ATOM 1098 O GLU A 73 8.141 12.057 8.138 1.00 0.00 O ATOM 1099 CB GLU A 73 6.615 13.886 5.970 1.00 0.00 C ATOM 1100 CG GLU A 73 6.849 15.014 4.963 1.00 0.00 C ATOM 1101 CD GLU A 73 7.727 16.113 5.564 1.00 0.00 C ATOM 1102 OE1 GLU A 73 8.663 15.748 6.309 1.00 0.00 O ATOM 1103 OE2 GLU A 73 7.443 17.293 5.266 1.00 0.00 O ATOM 0 H GLU A 73 6.832 11.964 4.243 1.00 0.00 H new ATOM 0 HA GLU A 73 8.686 13.386 6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.661 13.401 5.763 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.550 14.300 6.976 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.324 14.614 4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.892 15.436 4.655 1.00 0.00 H new ATOM 1110 N ILE A 74 6.923 10.749 6.752 1.00 0.00 N ATOM 1111 CA ILE A 74 6.724 9.700 7.737 1.00 0.00 C ATOM 1112 C ILE A 74 7.977 8.824 7.803 1.00 0.00 C ATOM 1113 O ILE A 74 8.018 7.848 8.552 1.00 0.00 O ATOM 1114 CB ILE A 74 5.443 8.919 7.437 1.00 0.00 C ATOM 1115 CG1 ILE A 74 5.734 7.706 6.552 1.00 0.00 C ATOM 1116 CG2 ILE A 74 4.376 9.830 6.827 1.00 0.00 C ATOM 1117 CD1 ILE A 74 5.908 6.441 7.396 1.00 0.00 C ATOM 0 H ILE A 74 6.491 10.571 5.845 1.00 0.00 H new ATOM 0 HA ILE A 74 6.583 10.130 8.728 1.00 0.00 H new ATOM 0 HB ILE A 74 5.045 8.542 8.379 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.919 7.565 5.843 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.637 7.885 5.968 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.476 9.250 6.623 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.140 10.633 7.526 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.751 10.257 5.897 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.114 5.593 6.743 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.740 6.577 8.088 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.995 6.251 7.960 1.00 0.00 H new ATOM 1129 N LYS A 75 8.967 9.203 7.009 1.00 0.00 N ATOM 1130 CA LYS A 75 10.218 8.464 6.968 1.00 0.00 C ATOM 1131 C LYS A 75 10.017 7.175 6.167 1.00 0.00 C ATOM 1132 O LYS A 75 9.950 6.089 6.740 1.00 0.00 O ATOM 1133 CB LYS A 75 10.750 8.232 8.383 1.00 0.00 C ATOM 1134 CG LYS A 75 10.737 9.530 9.194 1.00 0.00 C ATOM 1135 CD LYS A 75 10.355 9.262 10.651 1.00 0.00 C ATOM 1136 CE LYS A 75 9.425 10.355 11.183 1.00 0.00 C ATOM 1137 NZ LYS A 75 10.131 11.654 11.238 1.00 0.00 N ATOM 0 H LYS A 75 8.929 10.012 6.389 1.00 0.00 H new ATOM 0 HA LYS A 75 10.986 9.043 6.455 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.142 7.479 8.885 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.766 7.840 8.334 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.720 9.999 9.152 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.030 10.232 8.752 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.864 8.292 10.730 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.255 9.215 11.264 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.548 10.438 10.542 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.069 10.086 12.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.515 12.366 11.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.001 11.553 11.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.375 11.958 10.274 1.00 0.00 H new ATOM 1151 N VAL A 76 9.927 7.339 4.856 1.00 0.00 N ATOM 1152 CA VAL A 76 9.736 6.203 3.971 1.00 0.00 C ATOM 1153 C VAL A 76 10.936 6.088 3.029 1.00 0.00 C ATOM 1154 O VAL A 76 11.588 7.085 2.723 1.00 0.00 O ATOM 1155 CB VAL A 76 8.405 6.336 3.229 1.00 0.00 C ATOM 1156 CG1 VAL A 76 8.393 5.474 1.964 1.00 0.00 C ATOM 1157 CG2 VAL A 76 7.230 5.983 4.143 1.00 0.00 C ATOM 0 H VAL A 76 9.983 8.242 4.385 1.00 0.00 H new ATOM 0 HA VAL A 76 9.683 5.277 4.544 1.00 0.00 H new ATOM 0 HB VAL A 76 8.294 7.377 2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.435 5.587 1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.196 5.792 1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.539 4.428 2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.296 6.086 3.591 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.335 4.955 4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.221 6.656 5.000 1.00 0.00 H new ATOM 1167 N THR A 77 11.192 4.862 2.595 1.00 0.00 N ATOM 1168 CA THR A 77 12.303 4.603 1.695 1.00 0.00 C ATOM 1169 C THR A 77 11.880 3.629 0.594 1.00 0.00 C ATOM 1170 O THR A 77 10.751 3.141 0.591 1.00 0.00 O ATOM 1171 CB THR A 77 13.482 4.102 2.530 1.00 0.00 C ATOM 1172 OG1 THR A 77 12.956 2.983 3.238 1.00 0.00 O ATOM 1173 CG2 THR A 77 13.879 5.086 3.633 1.00 0.00 C ATOM 0 H THR A 77 10.649 4.037 2.850 1.00 0.00 H new ATOM 0 HA THR A 77 12.615 5.512 1.180 1.00 0.00 H new ATOM 0 HB THR A 77 14.337 3.922 1.878 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.656 2.595 3.804 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.720 4.682 4.196 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.165 6.038 3.186 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.034 5.240 4.304 1.00 0.00 H new ATOM 1181 N SER A 78 12.810 3.374 -0.315 1.00 0.00 N ATOM 1182 CA SER A 78 12.548 2.466 -1.419 1.00 0.00 C ATOM 1183 C SER A 78 12.699 1.017 -0.952 1.00 0.00 C ATOM 1184 O SER A 78 13.815 0.526 -0.791 1.00 0.00 O ATOM 1185 CB SER A 78 13.486 2.745 -2.596 1.00 0.00 C ATOM 1186 OG SER A 78 12.898 2.388 -3.844 1.00 0.00 O ATOM 0 H SER A 78 13.746 3.780 -0.310 1.00 0.00 H new ATOM 0 HA SER A 78 11.525 2.627 -1.759 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.748 3.803 -2.608 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.414 2.189 -2.460 1.00 0.00 H new ATOM 0 HG SER A 78 13.527 2.583 -4.570 1.00 0.00 H new ATOM 1192 N GLY A 79 11.559 0.374 -0.749 1.00 0.00 N ATOM 1193 CA GLY A 79 11.549 -1.010 -0.303 1.00 0.00 C ATOM 1194 C GLY A 79 10.949 -1.130 1.099 1.00 0.00 C ATOM 1195 O GLY A 79 11.187 -2.114 1.797 1.00 0.00 O ATOM 0 H GLY A 79 10.635 0.785 -0.885 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.973 -1.617 -1.002 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.566 -1.403 -0.302 1.00 0.00 H new ATOM 1199 N ALA A 80 10.181 -0.115 1.468 1.00 0.00 N ATOM 1200 CA ALA A 80 9.545 -0.095 2.774 1.00 0.00 C ATOM 1201 C ALA A 80 8.513 -1.222 2.851 1.00 0.00 C ATOM 1202 O ALA A 80 8.335 -1.973 1.893 1.00 0.00 O ATOM 1203 CB ALA A 80 8.924 1.281 3.019 1.00 0.00 C ATOM 0 H ALA A 80 9.985 0.699 0.885 1.00 0.00 H new ATOM 0 HA ALA A 80 10.280 -0.266 3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.447 1.296 3.999 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.702 2.043 2.983 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.179 1.486 2.250 1.00 0.00 H new ATOM 1209 N LYS A 81 7.859 -1.305 4.000 1.00 0.00 N ATOM 1210 CA LYS A 81 6.849 -2.328 4.214 1.00 0.00 C ATOM 1211 C LYS A 81 5.521 -1.660 4.576 1.00 0.00 C ATOM 1212 O LYS A 81 5.505 -0.589 5.181 1.00 0.00 O ATOM 1213 CB LYS A 81 7.328 -3.345 5.252 1.00 0.00 C ATOM 1214 CG LYS A 81 6.887 -4.761 4.876 1.00 0.00 C ATOM 1215 CD LYS A 81 8.095 -5.686 4.710 1.00 0.00 C ATOM 1216 CE LYS A 81 8.204 -6.661 5.884 1.00 0.00 C ATOM 1217 NZ LYS A 81 8.875 -7.910 5.460 1.00 0.00 N ATOM 0 H LYS A 81 8.009 -0.681 4.793 1.00 0.00 H new ATOM 0 HA LYS A 81 6.682 -2.895 3.298 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.415 -3.307 5.329 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.930 -3.084 6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.225 -5.156 5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.315 -4.733 3.948 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.006 -6.243 3.777 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.006 -5.092 4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.763 -6.199 6.697 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.210 -6.888 6.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.941 -8.561 6.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.326 -8.358 4.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.831 -7.690 5.114 1.00 0.00 H new ATOM 1231 N ILE A 82 4.439 -2.319 4.190 1.00 0.00 N ATOM 1232 CA ILE A 82 3.109 -1.802 4.466 1.00 0.00 C ATOM 1233 C ILE A 82 2.203 -2.951 4.913 1.00 0.00 C ATOM 1234 O ILE A 82 1.951 -3.881 4.148 1.00 0.00 O ATOM 1235 CB ILE A 82 2.573 -1.030 3.259 1.00 0.00 C ATOM 1236 CG1 ILE A 82 3.544 0.077 2.842 1.00 0.00 C ATOM 1237 CG2 ILE A 82 1.169 -0.488 3.535 1.00 0.00 C ATOM 1238 CD1 ILE A 82 3.479 1.258 3.813 1.00 0.00 C ATOM 0 H ILE A 82 4.456 -3.207 3.688 1.00 0.00 H new ATOM 0 HA ILE A 82 3.142 -1.084 5.285 1.00 0.00 H new ATOM 0 HB ILE A 82 2.492 -1.720 2.419 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.560 -0.318 2.811 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.303 0.416 1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.811 0.057 2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.494 -1.317 3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.200 0.183 4.393 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.179 2.030 3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.468 1.666 3.823 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.744 0.920 4.815 1.00 0.00 H new ATOM 1250 N MET A 83 1.737 -2.849 6.149 1.00 0.00 N ATOM 1251 CA MET A 83 0.864 -3.868 6.706 1.00 0.00 C ATOM 1252 C MET A 83 -0.607 -3.471 6.557 1.00 0.00 C ATOM 1253 O MET A 83 -0.991 -2.356 6.905 1.00 0.00 O ATOM 1254 CB MET A 83 1.191 -4.066 8.188 1.00 0.00 C ATOM 1255 CG MET A 83 1.595 -5.515 8.470 1.00 0.00 C ATOM 1256 SD MET A 83 3.155 -5.556 9.337 1.00 0.00 S ATOM 1257 CE MET A 83 4.258 -5.096 8.011 1.00 0.00 C ATOM 0 H MET A 83 1.948 -2.076 6.780 1.00 0.00 H new ATOM 0 HA MET A 83 1.028 -4.798 6.161 1.00 0.00 H new ATOM 0 HB2 MET A 83 2.000 -3.396 8.479 1.00 0.00 H new ATOM 0 HB3 MET A 83 0.325 -3.801 8.794 1.00 0.00 H new ATOM 0 HG2 MET A 83 0.826 -6.006 9.065 1.00 0.00 H new ATOM 0 HG3 MET A 83 1.675 -6.068 7.534 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.289 -5.277 8.316 1.00 0.00 H new ATOM 0 HE2 MET A 83 4.031 -5.691 7.126 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.128 -4.039 7.780 1.00 0.00 H new ATOM 1267 N VAL A 84 -1.389 -4.407 6.040 1.00 0.00 N ATOM 1268 CA VAL A 84 -2.809 -4.169 5.841 1.00 0.00 C ATOM 1269 C VAL A 84 -3.610 -5.243 6.580 1.00 0.00 C ATOM 1270 O VAL A 84 -3.170 -6.386 6.689 1.00 0.00 O ATOM 1271 CB VAL A 84 -3.125 -4.112 4.345 1.00 0.00 C ATOM 1272 CG1 VAL A 84 -4.579 -3.702 4.107 1.00 0.00 C ATOM 1273 CG2 VAL A 84 -2.163 -3.170 3.617 1.00 0.00 C ATOM 0 H VAL A 84 -1.067 -5.331 5.753 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.097 -3.204 6.258 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.988 -5.113 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.777 -3.669 3.036 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.243 -4.427 4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.755 -2.717 4.539 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.409 -3.148 2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.253 -2.166 4.032 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.140 -3.525 3.745 1.00 0.00 H new ATOM 1283 N VAL A 85 -4.772 -4.837 7.069 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.639 -5.749 7.795 1.00 0.00 C ATOM 1285 C VAL A 85 -7.087 -5.531 7.352 1.00 0.00 C ATOM 1286 O VAL A 85 -7.372 -4.621 6.576 1.00 0.00 O ATOM 1287 CB VAL A 85 -5.441 -5.572 9.302 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -6.289 -4.414 9.833 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -5.751 -6.869 10.052 1.00 0.00 C ATOM 0 H VAL A 85 -5.134 -3.888 6.977 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.382 -6.783 7.567 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.393 -5.328 9.477 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.130 -4.309 10.906 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.999 -3.491 9.331 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.343 -4.616 9.640 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.602 -6.716 11.121 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.786 -7.158 9.867 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.086 -7.659 9.703 1.00 0.00 H new ATOM 1299 N GLY A 86 -7.964 -6.382 7.865 1.00 0.00 N ATOM 1300 CA GLY A 86 -9.375 -6.294 7.533 1.00 0.00 C ATOM 1301 C GLY A 86 -9.911 -7.644 7.053 1.00 0.00 C ATOM 1302 O GLY A 86 -10.373 -8.454 7.856 1.00 0.00 O ATOM 0 H GLY A 86 -7.724 -7.136 8.509 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.938 -5.965 8.407 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.523 -5.543 6.757 1.00 0.00 H new ATOM 1306 N SER A 87 -9.831 -7.846 5.746 1.00 0.00 N ATOM 1307 CA SER A 87 -10.302 -9.085 5.150 1.00 0.00 C ATOM 1308 C SER A 87 -11.831 -9.129 5.175 1.00 0.00 C ATOM 1309 O SER A 87 -12.421 -9.954 5.870 1.00 0.00 O ATOM 1310 CB SER A 87 -9.725 -10.301 5.877 1.00 0.00 C ATOM 1311 OG SER A 87 -8.354 -10.116 6.222 1.00 0.00 O ATOM 0 H SER A 87 -9.447 -7.173 5.083 1.00 0.00 H new ATOM 0 HA SER A 87 -9.960 -9.118 4.116 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.304 -10.491 6.781 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.824 -11.183 5.244 1.00 0.00 H new ATOM 0 HG SER A 87 -8.023 -10.913 6.686 1.00 0.00 H new ATOM 1317 N THR A 88 -12.430 -8.230 4.406 1.00 0.00 N ATOM 1318 CA THR A 88 -13.879 -8.156 4.331 1.00 0.00 C ATOM 1319 C THR A 88 -14.307 -7.214 3.205 1.00 0.00 C ATOM 1320 O THR A 88 -13.614 -6.242 2.907 1.00 0.00 O ATOM 1321 CB THR A 88 -14.403 -7.737 5.706 1.00 0.00 C ATOM 1322 OG1 THR A 88 -15.820 -7.830 5.581 1.00 0.00 O ATOM 1323 CG2 THR A 88 -14.151 -6.258 6.003 1.00 0.00 C ATOM 0 H THR A 88 -11.938 -7.547 3.830 1.00 0.00 H new ATOM 0 HA THR A 88 -14.312 -9.125 4.084 1.00 0.00 H new ATOM 0 HB THR A 88 -13.930 -8.347 6.476 1.00 0.00 H new ATOM 0 HG1 THR A 88 -16.241 -7.577 6.429 1.00 0.00 H new ATOM 0 HG21 THR A 88 -14.542 -6.013 6.991 1.00 0.00 H new ATOM 0 HG22 THR A 88 -13.080 -6.059 5.978 1.00 0.00 H new ATOM 0 HG23 THR A 88 -14.651 -5.646 5.253 1.00 0.00 H new ATOM 1331 N ILE A 89 -15.446 -7.534 2.609 1.00 0.00 N ATOM 1332 CA ILE A 89 -15.975 -6.728 1.522 1.00 0.00 C ATOM 1333 C ILE A 89 -16.497 -5.403 2.082 1.00 0.00 C ATOM 1334 O ILE A 89 -16.400 -4.367 1.426 1.00 0.00 O ATOM 1335 CB ILE A 89 -17.021 -7.516 0.731 1.00 0.00 C ATOM 1336 CG1 ILE A 89 -18.259 -7.796 1.586 1.00 0.00 C ATOM 1337 CG2 ILE A 89 -16.421 -8.799 0.153 1.00 0.00 C ATOM 1338 CD1 ILE A 89 -19.366 -6.779 1.298 1.00 0.00 C ATOM 0 H ILE A 89 -16.018 -8.341 2.858 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.187 -6.485 0.810 1.00 0.00 H new ATOM 0 HB ILE A 89 -17.343 -6.904 -0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -18.624 -8.803 1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -17.992 -7.759 2.642 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -17.186 -9.340 -0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -15.596 -8.547 -0.514 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -16.052 -9.426 0.965 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -20.234 -7.001 1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -19.006 -5.775 1.523 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -19.648 -6.836 0.247 1.00 0.00 H new ATOM 1350 N SER A 90 -17.039 -5.480 3.289 1.00 0.00 N ATOM 1351 CA SER A 90 -17.575 -4.300 3.944 1.00 0.00 C ATOM 1352 C SER A 90 -18.301 -3.419 2.925 1.00 0.00 C ATOM 1353 O SER A 90 -17.698 -2.529 2.328 1.00 0.00 O ATOM 1354 CB SER A 90 -16.469 -3.505 4.640 1.00 0.00 C ATOM 1355 OG SER A 90 -16.800 -3.199 5.992 1.00 0.00 O ATOM 0 H SER A 90 -17.118 -6.341 3.830 1.00 0.00 H new ATOM 0 HA SER A 90 -18.285 -4.625 4.705 1.00 0.00 H new ATOM 0 HB2 SER A 90 -15.541 -4.076 4.615 1.00 0.00 H new ATOM 0 HB3 SER A 90 -16.289 -2.580 4.093 1.00 0.00 H new ATOM 0 HG SER A 90 -16.068 -2.693 6.401 1.00 0.00 H new ATOM 1361 N GLY A 91 -19.585 -3.699 2.757 1.00 0.00 N ATOM 1362 CA GLY A 91 -20.399 -2.944 1.820 1.00 0.00 C ATOM 1363 C GLY A 91 -19.933 -3.172 0.380 1.00 0.00 C ATOM 1364 O GLY A 91 -18.782 -2.898 0.046 1.00 0.00 O ATOM 0 H GLY A 91 -20.082 -4.438 3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -21.443 -3.240 1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -20.345 -1.882 2.060 1.00 0.00 H new ATOM 1368 N PRO A 92 -20.877 -3.685 -0.454 1.00 0.00 N ATOM 1369 CA PRO A 92 -20.575 -3.953 -1.850 1.00 0.00 C ATOM 1370 C PRO A 92 -20.516 -2.655 -2.658 1.00 0.00 C ATOM 1371 O PRO A 92 -20.789 -1.579 -2.130 1.00 0.00 O ATOM 1372 CB PRO A 92 -21.674 -4.894 -2.316 1.00 0.00 C ATOM 1373 CG PRO A 92 -22.802 -4.749 -1.308 1.00 0.00 C ATOM 1374 CD PRO A 92 -22.251 -4.021 -0.093 1.00 0.00 C ATOM 0 HA PRO A 92 -19.594 -4.408 -1.988 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -22.011 -4.634 -3.319 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -21.316 -5.923 -2.356 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -23.633 -4.193 -1.742 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -23.188 -5.728 -1.024 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -22.832 -3.126 0.130 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -22.284 -4.652 0.795 1.00 0.00 H new ATOM 1382 N SER A 93 -20.158 -2.800 -3.925 1.00 0.00 N ATOM 1383 CA SER A 93 -20.060 -1.653 -4.811 1.00 0.00 C ATOM 1384 C SER A 93 -20.802 -1.936 -6.118 1.00 0.00 C ATOM 1385 O SER A 93 -20.478 -2.887 -6.827 1.00 0.00 O ATOM 1386 CB SER A 93 -18.598 -1.301 -5.096 1.00 0.00 C ATOM 1387 OG SER A 93 -17.993 -0.611 -4.006 1.00 0.00 O ATOM 0 H SER A 93 -19.932 -3.695 -4.359 1.00 0.00 H new ATOM 0 HA SER A 93 -20.522 -0.798 -4.317 1.00 0.00 H new ATOM 0 HB2 SER A 93 -18.039 -2.214 -5.302 1.00 0.00 H new ATOM 0 HB3 SER A 93 -18.542 -0.683 -5.992 1.00 0.00 H new ATOM 0 HG SER A 93 -17.060 -0.406 -4.226 1.00 0.00 H new ATOM 1393 N SER A 94 -21.786 -1.093 -6.398 1.00 0.00 N ATOM 1394 CA SER A 94 -22.577 -1.241 -7.608 1.00 0.00 C ATOM 1395 C SER A 94 -23.361 0.044 -7.880 1.00 0.00 C ATOM 1396 O SER A 94 -24.500 0.187 -7.436 1.00 0.00 O ATOM 1397 CB SER A 94 -23.531 -2.432 -7.500 1.00 0.00 C ATOM 1398 OG SER A 94 -22.841 -3.677 -7.573 1.00 0.00 O ATOM 0 H SER A 94 -22.053 -0.305 -5.808 1.00 0.00 H new ATOM 0 HA SER A 94 -21.898 -1.428 -8.440 1.00 0.00 H new ATOM 0 HB2 SER A 94 -24.077 -2.375 -6.558 1.00 0.00 H new ATOM 0 HB3 SER A 94 -24.269 -2.379 -8.300 1.00 0.00 H new ATOM 0 HG SER A 94 -21.879 -3.513 -7.665 1.00 0.00 H new ATOM 1404 N GLY A 95 -22.721 0.947 -8.608 1.00 0.00 N ATOM 1405 CA GLY A 95 -23.345 2.216 -8.945 1.00 0.00 C ATOM 1406 C GLY A 95 -22.290 3.288 -9.224 1.00 0.00 C ATOM 1407 O GLY A 95 -22.526 4.472 -8.987 1.00 0.00 O ATOM 0 H GLY A 95 -21.777 0.825 -8.974 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -23.982 2.091 -9.821 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -23.988 2.538 -8.126 1.00 0.00 H new TER 1411 GLY A 95