USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 584 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 Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 128:sc= 0.0131 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -165:sc= 0.214 (180deg=0.137) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl -121:sc= -0.157 (180deg=-0.879) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0.311 K(o=0.31,f=-3.8!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -103:sc= 0 (180deg=-0.324) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 47 18.841 10.012 5.165 1.00 0.00 N ATOM 2 CA ALA A 47 18.637 10.043 3.689 1.00 0.00 C ATOM 3 C ALA A 47 17.169 9.767 3.383 1.00 0.00 C ATOM 4 O ALA A 47 16.562 10.424 2.537 1.00 0.00 O ATOM 5 CB ALA A 47 19.500 8.994 2.984 1.00 0.00 C ATOM 0 HA ALA A 47 18.928 11.028 3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 47 19.327 9.043 1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 47 20.552 9.189 3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 47 19.236 8.001 3.349 1.00 0.00 H new ATOM 13 N GLY A 48 16.606 8.786 4.082 1.00 0.00 N ATOM 14 CA GLY A 48 15.205 8.427 3.879 1.00 0.00 C ATOM 15 C GLY A 48 15.090 7.103 3.132 1.00 0.00 C ATOM 16 O GLY A 48 15.125 7.063 1.902 1.00 0.00 O ATOM 0 H GLY A 48 17.091 8.230 4.787 1.00 0.00 H new ATOM 0 HA2 GLY A 48 14.701 8.352 4.842 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.701 9.213 3.316 1.00 0.00 H new ATOM 20 N ALA A 49 14.951 6.019 3.890 1.00 0.00 N ATOM 21 CA ALA A 49 14.829 4.693 3.292 1.00 0.00 C ATOM 22 C ALA A 49 13.400 4.453 2.814 1.00 0.00 C ATOM 23 O ALA A 49 12.586 3.856 3.521 1.00 0.00 O ATOM 24 CB ALA A 49 15.204 3.611 4.306 1.00 0.00 C ATOM 0 H ALA A 49 14.920 6.031 4.909 1.00 0.00 H new ATOM 0 HA ALA A 49 15.509 4.644 2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 49 15.107 2.629 3.843 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.234 3.759 4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 49 14.539 3.673 5.167 1.00 0.00 H new ATOM 30 N GLY A 50 13.106 4.924 1.607 1.00 0.00 N ATOM 31 CA GLY A 50 11.770 4.756 1.039 1.00 0.00 C ATOM 32 C GLY A 50 11.526 5.766 -0.076 1.00 0.00 C ATOM 33 O GLY A 50 12.416 6.532 -0.448 1.00 0.00 O ATOM 0 H GLY A 50 13.765 5.420 1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.660 3.744 0.650 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.020 4.881 1.820 1.00 0.00 H new ATOM 37 N LYS A 51 10.306 5.759 -0.607 1.00 0.00 N ATOM 38 CA LYS A 51 9.947 6.679 -1.683 1.00 0.00 C ATOM 39 C LYS A 51 8.501 7.141 -1.525 1.00 0.00 C ATOM 40 O LYS A 51 7.758 7.266 -2.500 1.00 0.00 O ATOM 41 CB LYS A 51 10.115 6.001 -3.045 1.00 0.00 C ATOM 42 CG LYS A 51 11.604 5.878 -3.376 1.00 0.00 C ATOM 43 CD LYS A 51 11.798 4.821 -4.464 1.00 0.00 C ATOM 44 CE LYS A 51 13.200 4.219 -4.347 1.00 0.00 C ATOM 45 NZ LYS A 51 13.535 3.384 -5.536 1.00 0.00 N ATOM 0 H LYS A 51 9.556 5.133 -0.314 1.00 0.00 H new ATOM 0 HA LYS A 51 10.610 7.542 -1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.652 5.014 -3.031 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.607 6.580 -3.816 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.993 6.839 -3.714 1.00 0.00 H new ATOM 0 HG3 LYS A 51 12.165 5.603 -2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.045 4.039 -4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.664 5.269 -5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.933 5.019 -4.244 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.262 3.611 -3.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.491 2.991 -5.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.849 2.607 -5.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.499 3.971 -6.394 1.00 0.00 H new ATOM 59 N ALA A 52 8.110 7.397 -0.281 1.00 0.00 N ATOM 60 CA ALA A 52 6.752 7.848 0.005 1.00 0.00 C ATOM 61 C ALA A 52 6.751 8.824 1.177 1.00 0.00 C ATOM 62 O ALA A 52 7.407 8.596 2.194 1.00 0.00 O ATOM 63 CB ALA A 52 5.852 6.657 0.343 1.00 0.00 C ATOM 0 H ALA A 52 8.708 7.301 0.540 1.00 0.00 H new ATOM 0 HA ALA A 52 6.369 8.349 -0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.843 7.012 0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.826 5.969 -0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.245 6.141 1.219 1.00 0.00 H new ATOM 69 N GLY A 53 6.008 9.917 1.023 1.00 0.00 N ATOM 70 CA GLY A 53 5.928 10.925 2.076 1.00 0.00 C ATOM 71 C GLY A 53 4.512 11.477 2.192 1.00 0.00 C ATOM 72 O GLY A 53 3.659 10.898 2.866 1.00 0.00 O ATOM 0 H GLY A 53 5.459 10.126 0.189 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.232 10.488 3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.623 11.737 1.862 1.00 0.00 H new ATOM 76 N GLU A 54 4.272 12.602 1.527 1.00 0.00 N ATOM 77 CA GLU A 54 2.953 13.229 1.562 1.00 0.00 C ATOM 78 C GLU A 54 2.104 12.750 0.388 1.00 0.00 C ATOM 79 O GLU A 54 2.408 13.026 -0.772 1.00 0.00 O ATOM 80 CB GLU A 54 3.083 14.753 1.493 1.00 0.00 C ATOM 81 CG GLU A 54 1.962 15.400 2.308 1.00 0.00 C ATOM 82 CD GLU A 54 2.466 16.699 2.928 1.00 0.00 C ATOM 83 OE1 GLU A 54 3.344 16.627 3.773 1.00 0.00 O ATOM 84 OE2 GLU A 54 1.969 17.746 2.549 1.00 0.00 O ATOM 0 H GLU A 54 4.964 13.095 0.963 1.00 0.00 H new ATOM 0 HA GLU A 54 2.471 12.947 2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.054 15.063 1.880 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.032 15.086 0.456 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.102 15.600 1.669 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.626 14.718 3.089 1.00 0.00 H new ATOM 91 N GLY A 55 1.034 12.026 0.705 1.00 0.00 N ATOM 92 CA GLY A 55 0.141 11.510 -0.329 1.00 0.00 C ATOM 93 C GLY A 55 0.301 10.001 -0.478 1.00 0.00 C ATOM 94 O GLY A 55 -0.647 9.240 -0.288 1.00 0.00 O ATOM 0 H GLY A 55 0.766 11.785 1.659 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.892 11.748 -0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.356 11.999 -1.279 1.00 0.00 H new ATOM 98 N GLU A 56 1.514 9.577 -0.823 1.00 0.00 N ATOM 99 CA GLU A 56 1.791 8.155 -0.999 1.00 0.00 C ATOM 100 C GLU A 56 2.103 7.502 0.345 1.00 0.00 C ATOM 101 O GLU A 56 2.953 7.976 1.100 1.00 0.00 O ATOM 102 CB GLU A 56 2.982 7.952 -1.937 1.00 0.00 C ATOM 103 CG GLU A 56 2.738 8.708 -3.244 1.00 0.00 C ATOM 104 CD GLU A 56 4.024 8.739 -4.062 1.00 0.00 C ATOM 105 OE1 GLU A 56 4.394 7.703 -4.587 1.00 0.00 O ATOM 106 OE2 GLU A 56 4.621 9.801 -4.151 1.00 0.00 O ATOM 0 H GLU A 56 2.313 10.190 -0.985 1.00 0.00 H new ATOM 0 HA GLU A 56 0.904 7.692 -1.432 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.896 8.309 -1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.122 6.890 -2.140 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.944 8.224 -3.813 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.405 9.724 -3.032 1.00 0.00 H new ATOM 113 N ILE A 57 1.404 6.408 0.634 1.00 0.00 N ATOM 114 CA ILE A 57 1.612 5.692 1.889 1.00 0.00 C ATOM 115 C ILE A 57 2.866 4.814 1.795 1.00 0.00 C ATOM 116 O ILE A 57 2.940 3.929 0.942 1.00 0.00 O ATOM 117 CB ILE A 57 0.404 4.804 2.202 1.00 0.00 C ATOM 118 CG1 ILE A 57 -0.876 5.641 2.147 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.558 4.206 3.602 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.091 4.714 2.094 1.00 0.00 C ATOM 0 H ILE A 57 0.696 6.001 0.023 1.00 0.00 H new ATOM 0 HA ILE A 57 1.738 6.427 2.684 1.00 0.00 H new ATOM 0 HB ILE A 57 0.346 4.002 1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.937 6.288 3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.862 6.289 1.271 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.302 3.574 3.824 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.468 3.608 3.644 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.617 5.009 4.336 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.002 5.311 2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.030 4.085 1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.107 4.084 2.984 1.00 0.00 H new ATOM 132 N PRO A 58 3.867 5.038 2.662 1.00 0.00 N ATOM 133 CA PRO A 58 5.106 4.245 2.644 1.00 0.00 C ATOM 134 C PRO A 58 4.895 2.825 3.165 1.00 0.00 C ATOM 135 O PRO A 58 4.186 2.608 4.148 1.00 0.00 O ATOM 136 CB PRO A 58 6.050 5.014 3.565 1.00 0.00 C ATOM 137 CG PRO A 58 5.160 5.776 4.484 1.00 0.00 C ATOM 138 CD PRO A 58 3.896 6.062 3.724 1.00 0.00 C ATOM 0 HA PRO A 58 5.489 4.125 1.631 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.700 4.336 4.118 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.696 5.683 2.997 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.948 5.199 5.384 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.637 6.702 4.804 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.020 5.991 4.369 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.903 7.068 3.306 1.00 0.00 H new ATOM 146 N ALA A 59 5.518 1.862 2.493 1.00 0.00 N ATOM 147 CA ALA A 59 5.395 0.464 2.893 1.00 0.00 C ATOM 148 C ALA A 59 6.236 0.190 4.141 1.00 0.00 C ATOM 149 O ALA A 59 7.285 0.805 4.337 1.00 0.00 O ATOM 150 CB ALA A 59 5.860 -0.460 1.765 1.00 0.00 C ATOM 0 H ALA A 59 6.108 2.021 1.676 1.00 0.00 H new ATOM 0 HA ALA A 59 4.345 0.268 3.112 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.761 -1.498 2.081 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.247 -0.290 0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.903 -0.250 1.530 1.00 0.00 H new ATOM 156 N PRO A 60 5.789 -0.735 5.002 1.00 0.00 N ATOM 157 CA PRO A 60 6.515 -1.079 6.233 1.00 0.00 C ATOM 158 C PRO A 60 7.787 -1.877 5.955 1.00 0.00 C ATOM 159 O PRO A 60 8.754 -1.816 6.713 1.00 0.00 O ATOM 160 CB PRO A 60 5.520 -1.923 7.025 1.00 0.00 C ATOM 161 CG PRO A 60 4.604 -2.503 6.004 1.00 0.00 C ATOM 162 CD PRO A 60 4.551 -1.526 4.864 1.00 0.00 C ATOM 0 HA PRO A 60 6.847 -0.187 6.764 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.028 -2.705 7.589 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.973 -1.315 7.745 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.967 -3.473 5.665 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.610 -2.663 6.422 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.512 -2.038 3.903 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.666 -0.893 4.924 1.00 0.00 H new ATOM 170 N LEU A 61 7.772 -2.627 4.857 1.00 0.00 N ATOM 171 CA LEU A 61 8.929 -3.437 4.483 1.00 0.00 C ATOM 172 C LEU A 61 8.832 -3.861 3.022 1.00 0.00 C ATOM 173 O LEU A 61 7.764 -3.798 2.411 1.00 0.00 O ATOM 174 CB LEU A 61 9.014 -4.686 5.362 1.00 0.00 C ATOM 175 CG LEU A 61 7.726 -5.510 5.461 1.00 0.00 C ATOM 176 CD1 LEU A 61 7.737 -6.611 4.399 1.00 0.00 C ATOM 177 CD2 LEU A 61 7.631 -6.147 6.850 1.00 0.00 C ATOM 0 H LEU A 61 6.981 -2.692 4.216 1.00 0.00 H new ATOM 0 HA LEU A 61 9.824 -2.832 4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.807 -5.327 4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.309 -4.383 6.367 1.00 0.00 H new ATOM 0 HG LEU A 61 6.868 -4.857 5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.820 -7.196 4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.803 -6.161 3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.596 -7.262 4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.715 -6.733 6.920 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.491 -6.797 7.012 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.620 -5.365 7.609 1.00 0.00 H new ATOM 189 N ALA A 62 9.961 -4.295 2.469 1.00 0.00 N ATOM 190 CA ALA A 62 9.996 -4.730 1.075 1.00 0.00 C ATOM 191 C ALA A 62 9.394 -6.125 0.937 1.00 0.00 C ATOM 192 O ALA A 62 10.059 -7.131 1.183 1.00 0.00 O ATOM 193 CB ALA A 62 11.436 -4.756 0.559 1.00 0.00 C ATOM 0 H ALA A 62 10.854 -4.355 2.957 1.00 0.00 H new ATOM 0 HA ALA A 62 9.412 -4.022 0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.444 -5.082 -0.481 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.866 -3.757 0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.026 -5.448 1.161 1.00 0.00 H new ATOM 199 N GLY A 63 8.126 -6.172 0.541 1.00 0.00 N ATOM 200 CA GLY A 63 7.438 -7.448 0.371 1.00 0.00 C ATOM 201 C GLY A 63 6.883 -7.578 -1.043 1.00 0.00 C ATOM 202 O GLY A 63 7.457 -7.059 -2.001 1.00 0.00 O ATOM 0 H GLY A 63 7.558 -5.350 0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.127 -8.268 0.573 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.626 -7.528 1.094 1.00 0.00 H new ATOM 206 N THR A 64 5.758 -8.276 -1.163 1.00 0.00 N ATOM 207 CA THR A 64 5.130 -8.470 -2.467 1.00 0.00 C ATOM 208 C THR A 64 3.621 -8.268 -2.367 1.00 0.00 C ATOM 209 O THR A 64 2.987 -8.687 -1.399 1.00 0.00 O ATOM 210 CB THR A 64 5.410 -9.879 -2.994 1.00 0.00 C ATOM 211 OG1 THR A 64 6.783 -10.189 -2.802 1.00 0.00 O ATOM 212 CG2 THR A 64 5.074 -9.945 -4.485 1.00 0.00 C ATOM 0 H THR A 64 5.266 -8.713 -0.383 1.00 0.00 H new ATOM 0 HA THR A 64 5.551 -7.736 -3.154 1.00 0.00 H new ATOM 0 HB THR A 64 4.795 -10.599 -2.454 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.965 -11.092 -3.137 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.274 -10.949 -4.859 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.021 -9.706 -4.631 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.688 -9.227 -5.028 1.00 0.00 H new ATOM 220 N VAL A 65 3.054 -7.622 -3.382 1.00 0.00 N ATOM 221 CA VAL A 65 1.616 -7.370 -3.404 1.00 0.00 C ATOM 222 C VAL A 65 0.859 -8.667 -3.672 1.00 0.00 C ATOM 223 O VAL A 65 1.048 -9.311 -4.703 1.00 0.00 O ATOM 224 CB VAL A 65 1.266 -6.348 -4.490 1.00 0.00 C ATOM 225 CG1 VAL A 65 -0.213 -5.971 -4.383 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.122 -5.092 -4.304 1.00 0.00 C ATOM 0 H VAL A 65 3.562 -7.267 -4.192 1.00 0.00 H new ATOM 0 HA VAL A 65 1.325 -6.972 -2.432 1.00 0.00 H new ATOM 0 HB VAL A 65 1.461 -6.783 -5.470 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.460 -5.244 -5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.826 -6.863 -4.514 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.408 -5.538 -3.402 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.873 -4.364 -5.077 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.926 -4.660 -3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.177 -5.356 -4.380 1.00 0.00 H new ATOM 236 N SER A 66 0.003 -9.044 -2.726 1.00 0.00 N ATOM 237 CA SER A 66 -0.778 -10.270 -2.864 1.00 0.00 C ATOM 238 C SER A 66 -2.170 -9.964 -3.407 1.00 0.00 C ATOM 239 O SER A 66 -2.620 -10.573 -4.378 1.00 0.00 O ATOM 240 CB SER A 66 -0.915 -10.972 -1.513 1.00 0.00 C ATOM 241 OG SER A 66 -0.965 -12.378 -1.717 1.00 0.00 O ATOM 0 H SER A 66 -0.167 -8.525 -1.865 1.00 0.00 H new ATOM 0 HA SER A 66 -0.253 -10.922 -3.562 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.073 -10.716 -0.870 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.818 -10.634 -1.005 1.00 0.00 H new ATOM 0 HG SER A 66 -0.299 -12.815 -1.146 1.00 0.00 H new ATOM 247 N LYS A 67 -2.849 -9.015 -2.768 1.00 0.00 N ATOM 248 CA LYS A 67 -4.193 -8.640 -3.196 1.00 0.00 C ATOM 249 C LYS A 67 -4.494 -7.193 -2.817 1.00 0.00 C ATOM 250 O LYS A 67 -4.072 -6.709 -1.767 1.00 0.00 O ATOM 251 CB LYS A 67 -5.233 -9.555 -2.540 1.00 0.00 C ATOM 252 CG LYS A 67 -6.620 -9.264 -3.119 1.00 0.00 C ATOM 253 CD LYS A 67 -6.717 -9.838 -4.535 1.00 0.00 C ATOM 254 CE LYS A 67 -7.382 -11.215 -4.485 1.00 0.00 C ATOM 255 NZ LYS A 67 -8.192 -11.473 -5.711 1.00 0.00 N ATOM 0 H LYS A 67 -2.497 -8.498 -1.963 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.243 -8.746 -4.280 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.970 -10.599 -2.709 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.239 -9.399 -1.461 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.389 -9.703 -2.484 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.799 -8.189 -3.139 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.294 -9.167 -5.172 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.723 -9.919 -4.975 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.618 -11.986 -4.383 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.021 -11.280 -3.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.630 -12.414 -5.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.935 -10.751 -5.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.576 -11.434 -6.548 1.00 0.00 H new ATOM 269 N ILE A 68 -5.234 -6.511 -3.687 1.00 0.00 N ATOM 270 CA ILE A 68 -5.597 -5.118 -3.440 1.00 0.00 C ATOM 271 C ILE A 68 -7.000 -5.042 -2.843 1.00 0.00 C ATOM 272 O ILE A 68 -7.937 -5.662 -3.346 1.00 0.00 O ATOM 273 CB ILE A 68 -5.563 -4.311 -4.741 1.00 0.00 C ATOM 274 CG1 ILE A 68 -4.213 -4.514 -5.435 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.753 -2.826 -4.427 1.00 0.00 C ATOM 276 CD1 ILE A 68 -4.317 -4.071 -6.895 1.00 0.00 C ATOM 0 H ILE A 68 -5.591 -6.895 -4.562 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.874 -4.698 -2.740 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.365 -4.650 -5.397 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.440 -3.940 -4.924 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.919 -5.562 -5.382 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.729 -2.252 -5.353 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.714 -2.678 -3.934 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.952 -2.488 -3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.356 -4.216 -7.388 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.078 -4.664 -7.402 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.591 -3.017 -6.937 1.00 0.00 H new ATOM 288 N LEU A 69 -7.133 -4.280 -1.762 1.00 0.00 N ATOM 289 CA LEU A 69 -8.429 -4.137 -1.100 1.00 0.00 C ATOM 290 C LEU A 69 -9.102 -2.827 -1.499 1.00 0.00 C ATOM 291 O LEU A 69 -10.329 -2.730 -1.524 1.00 0.00 O ATOM 292 CB LEU A 69 -8.258 -4.169 0.420 1.00 0.00 C ATOM 293 CG LEU A 69 -8.214 -5.565 1.046 1.00 0.00 C ATOM 294 CD1 LEU A 69 -6.791 -6.119 0.960 1.00 0.00 C ATOM 295 CD2 LEU A 69 -8.639 -5.479 2.513 1.00 0.00 C ATOM 0 H LEU A 69 -6.372 -3.758 -1.329 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.057 -4.971 -1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.337 -3.645 0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.078 -3.612 0.873 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.894 -6.226 0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.760 -7.113 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.487 -6.180 -0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.110 -5.459 1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.608 -6.473 2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.959 -4.818 3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.653 -5.085 2.575 1.00 0.00 H new ATOM 307 N VAL A 70 -8.291 -1.818 -1.810 1.00 0.00 N ATOM 308 CA VAL A 70 -8.833 -0.518 -2.202 1.00 0.00 C ATOM 309 C VAL A 70 -8.402 -0.160 -3.623 1.00 0.00 C ATOM 310 O VAL A 70 -7.299 -0.490 -4.058 1.00 0.00 O ATOM 311 CB VAL A 70 -8.366 0.578 -1.235 1.00 0.00 C ATOM 312 CG1 VAL A 70 -8.817 0.228 0.183 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.837 0.693 -1.263 1.00 0.00 C ATOM 0 H VAL A 70 -7.273 -1.872 -1.799 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.920 -0.586 -2.166 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.802 1.529 -1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.486 1.005 0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.904 0.156 0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.382 -0.727 0.478 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.518 1.474 -0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.395 -0.258 -0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.509 0.945 -2.272 1.00 0.00 H new ATOM 323 N LYS A 71 -9.289 0.526 -4.338 1.00 0.00 N ATOM 324 CA LYS A 71 -8.999 0.934 -5.708 1.00 0.00 C ATOM 325 C LYS A 71 -9.444 2.376 -5.933 1.00 0.00 C ATOM 326 O LYS A 71 -10.169 2.951 -5.121 1.00 0.00 O ATOM 327 CB LYS A 71 -9.721 0.026 -6.707 1.00 0.00 C ATOM 328 CG LYS A 71 -11.217 0.002 -6.389 1.00 0.00 C ATOM 329 CD LYS A 71 -11.945 -0.867 -7.418 1.00 0.00 C ATOM 330 CE LYS A 71 -13.331 -0.281 -7.696 1.00 0.00 C ATOM 331 NZ LYS A 71 -14.370 -0.908 -6.831 1.00 0.00 N ATOM 0 H LYS A 71 -10.207 0.809 -3.995 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.923 0.853 -5.864 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.561 0.386 -7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.312 -0.983 -6.658 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.380 -0.391 -5.385 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.619 1.015 -6.404 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.368 -0.916 -8.341 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.038 -1.887 -7.046 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.314 0.795 -7.524 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.588 -0.433 -8.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.314 -0.686 -7.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.236 -1.939 -6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.286 -0.537 -5.863 1.00 0.00 H new ATOM 345 N GLU A 72 -9.000 2.955 -7.045 1.00 0.00 N ATOM 346 CA GLU A 72 -9.356 4.335 -7.370 1.00 0.00 C ATOM 347 C GLU A 72 -10.869 4.478 -7.508 1.00 0.00 C ATOM 348 O GLU A 72 -11.461 4.052 -8.499 1.00 0.00 O ATOM 349 CB GLU A 72 -8.694 4.768 -8.681 1.00 0.00 C ATOM 350 CG GLU A 72 -7.182 4.520 -8.607 1.00 0.00 C ATOM 351 CD GLU A 72 -6.827 3.259 -9.391 1.00 0.00 C ATOM 352 OE1 GLU A 72 -7.600 2.316 -9.340 1.00 0.00 O ATOM 353 OE2 GLU A 72 -5.787 3.256 -10.030 1.00 0.00 O ATOM 0 H GLU A 72 -8.399 2.497 -7.730 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.002 4.971 -6.558 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.122 4.213 -9.516 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.890 5.824 -8.866 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.643 5.376 -9.013 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.872 4.413 -7.568 1.00 0.00 H new ATOM 360 N GLY A 73 -11.488 5.084 -6.498 1.00 0.00 N ATOM 361 CA GLY A 73 -12.935 5.283 -6.512 1.00 0.00 C ATOM 362 C GLY A 73 -13.528 5.041 -5.128 1.00 0.00 C ATOM 363 O GLY A 73 -14.522 5.659 -4.746 1.00 0.00 O ATOM 0 H GLY A 73 -11.016 5.443 -5.668 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.164 6.297 -6.838 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.393 4.605 -7.232 1.00 0.00 H new ATOM 367 N ASP A 74 -12.906 4.134 -4.379 1.00 0.00 N ATOM 368 CA ASP A 74 -13.380 3.815 -3.036 1.00 0.00 C ATOM 369 C ASP A 74 -12.644 4.655 -1.996 1.00 0.00 C ATOM 370 O ASP A 74 -11.484 5.023 -2.182 1.00 0.00 O ATOM 371 CB ASP A 74 -13.155 2.334 -2.725 1.00 0.00 C ATOM 372 CG ASP A 74 -14.186 1.494 -3.473 1.00 0.00 C ATOM 373 OD1 ASP A 74 -15.347 1.871 -3.463 1.00 0.00 O ATOM 374 OD2 ASP A 74 -13.799 0.488 -4.043 1.00 0.00 O ATOM 0 H ASP A 74 -12.081 3.612 -4.675 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.446 4.037 -2.996 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.148 2.039 -3.019 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.238 2.160 -1.652 1.00 0.00 H new ATOM 379 N THR A 75 -13.334 4.952 -0.899 1.00 0.00 N ATOM 380 CA THR A 75 -12.739 5.749 0.170 1.00 0.00 C ATOM 381 C THR A 75 -12.312 4.849 1.326 1.00 0.00 C ATOM 382 O THR A 75 -12.980 3.864 1.644 1.00 0.00 O ATOM 383 CB THR A 75 -13.738 6.785 0.688 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.613 7.164 -0.365 1.00 0.00 O ATOM 385 CG2 THR A 75 -12.984 8.015 1.196 1.00 0.00 C ATOM 0 H THR A 75 -14.295 4.657 -0.727 1.00 0.00 H new ATOM 0 HA THR A 75 -11.867 6.261 -0.237 1.00 0.00 H new ATOM 0 HB THR A 75 -14.317 6.355 1.505 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.255 7.827 -0.034 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.697 8.752 1.565 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.314 7.723 2.004 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.403 8.448 0.381 1.00 0.00 H new ATOM 393 N VAL A 76 -11.190 5.196 1.948 1.00 0.00 N ATOM 394 CA VAL A 76 -10.677 4.410 3.069 1.00 0.00 C ATOM 395 C VAL A 76 -10.541 5.279 4.314 1.00 0.00 C ATOM 396 O VAL A 76 -10.521 6.507 4.234 1.00 0.00 O ATOM 397 CB VAL A 76 -9.309 3.817 2.726 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.466 2.781 1.613 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.372 4.932 2.257 1.00 0.00 C ATOM 0 H VAL A 76 -10.623 6.007 1.700 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.385 3.604 3.264 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.889 3.338 3.611 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.491 2.359 1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -10.132 1.986 1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.886 3.259 0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.397 4.509 2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.791 5.412 1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.259 5.670 3.051 1.00 0.00 H new ATOM 409 N LYS A 77 -10.445 4.623 5.467 1.00 0.00 N ATOM 410 CA LYS A 77 -10.307 5.340 6.731 1.00 0.00 C ATOM 411 C LYS A 77 -9.041 4.894 7.456 1.00 0.00 C ATOM 412 O LYS A 77 -8.516 3.809 7.207 1.00 0.00 O ATOM 413 CB LYS A 77 -11.516 5.079 7.632 1.00 0.00 C ATOM 414 CG LYS A 77 -11.763 6.301 8.519 1.00 0.00 C ATOM 415 CD LYS A 77 -13.185 6.244 9.084 1.00 0.00 C ATOM 416 CE LYS A 77 -14.161 6.848 8.073 1.00 0.00 C ATOM 417 NZ LYS A 77 -15.551 6.363 8.304 1.00 0.00 N ATOM 0 H LYS A 77 -10.460 3.607 5.553 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.246 6.406 6.510 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.398 4.872 7.025 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.340 4.198 8.249 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.038 6.325 9.333 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.626 7.216 7.942 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.461 5.212 9.300 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.236 6.791 10.026 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.136 7.935 8.146 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.847 6.589 7.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -16.189 6.790 7.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.577 5.328 8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.858 6.632 9.261 1.00 0.00 H new ATOM 431 N ALA A 78 -8.556 5.746 8.354 1.00 0.00 N ATOM 432 CA ALA A 78 -7.346 5.433 9.112 1.00 0.00 C ATOM 433 C ALA A 78 -7.553 4.178 9.956 1.00 0.00 C ATOM 434 O ALA A 78 -8.177 4.221 11.016 1.00 0.00 O ATOM 435 CB ALA A 78 -6.975 6.597 10.032 1.00 0.00 C ATOM 0 H ALA A 78 -8.976 6.649 8.574 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.539 5.262 8.400 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.072 6.347 10.589 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.797 7.491 9.434 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.791 6.784 10.730 1.00 0.00 H new ATOM 441 N GLY A 79 -7.017 3.060 9.474 1.00 0.00 N ATOM 442 CA GLY A 79 -7.144 1.795 10.193 1.00 0.00 C ATOM 443 C GLY A 79 -7.609 0.682 9.259 1.00 0.00 C ATOM 444 O GLY A 79 -7.192 -0.469 9.386 1.00 0.00 O ATOM 0 H GLY A 79 -6.496 3.003 8.599 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.185 1.526 10.636 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.854 1.908 11.013 1.00 0.00 H new ATOM 448 N GLN A 80 -8.479 1.039 8.320 1.00 0.00 N ATOM 449 CA GLN A 80 -9.001 0.063 7.367 1.00 0.00 C ATOM 450 C GLN A 80 -7.885 -0.455 6.465 1.00 0.00 C ATOM 451 O GLN A 80 -7.040 0.308 5.999 1.00 0.00 O ATOM 452 CB GLN A 80 -10.091 0.694 6.497 1.00 0.00 C ATOM 453 CG GLN A 80 -11.051 -0.394 6.014 1.00 0.00 C ATOM 454 CD GLN A 80 -12.347 0.251 5.532 1.00 0.00 C ATOM 455 OE1 GLN A 80 -13.336 0.292 6.263 1.00 0.00 O ATOM 456 NE2 GLN A 80 -12.401 0.762 4.333 1.00 0.00 N ATOM 0 H GLN A 80 -8.835 1.987 8.198 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.423 -0.766 7.935 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.635 1.447 7.067 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.642 1.202 5.644 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.594 -0.965 5.206 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.259 -1.095 6.822 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.581 0.728 3.727 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -13.263 1.195 4.002 1.00 0.00 H new ATOM 465 N THR A 81 -7.896 -1.764 6.222 1.00 0.00 N ATOM 466 CA THR A 81 -6.883 -2.380 5.369 1.00 0.00 C ATOM 467 C THR A 81 -6.999 -1.846 3.945 1.00 0.00 C ATOM 468 O THR A 81 -8.099 -1.659 3.425 1.00 0.00 O ATOM 469 CB THR A 81 -7.049 -3.901 5.348 1.00 0.00 C ATOM 470 OG1 THR A 81 -7.210 -4.375 6.678 1.00 0.00 O ATOM 471 CG2 THR A 81 -5.811 -4.543 4.721 1.00 0.00 C ATOM 0 H THR A 81 -8.587 -2.412 6.599 1.00 0.00 H new ATOM 0 HA THR A 81 -5.902 -2.132 5.775 1.00 0.00 H new ATOM 0 HB THR A 81 -7.928 -4.164 4.759 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.318 -5.349 6.667 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.931 -5.626 4.707 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.689 -4.178 3.701 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.930 -4.283 5.307 1.00 0.00 H new ATOM 479 N VAL A 82 -5.850 -1.593 3.323 1.00 0.00 N ATOM 480 CA VAL A 82 -5.836 -1.070 1.960 1.00 0.00 C ATOM 481 C VAL A 82 -5.237 -2.083 0.986 1.00 0.00 C ATOM 482 O VAL A 82 -5.600 -2.121 -0.189 1.00 0.00 O ATOM 483 CB VAL A 82 -5.026 0.228 1.896 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.697 1.290 2.769 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.606 -0.024 2.411 1.00 0.00 C ATOM 0 H VAL A 82 -4.928 -1.739 3.734 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.869 -0.873 1.672 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.982 0.574 0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.121 2.215 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.708 1.474 2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.740 0.939 3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.032 0.902 2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.650 -0.372 3.443 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.124 -0.781 1.793 1.00 0.00 H new ATOM 495 N LEU A 83 -4.309 -2.900 1.479 1.00 0.00 N ATOM 496 CA LEU A 83 -3.668 -3.897 0.627 1.00 0.00 C ATOM 497 C LEU A 83 -2.941 -4.942 1.469 1.00 0.00 C ATOM 498 O LEU A 83 -2.484 -4.660 2.576 1.00 0.00 O ATOM 499 CB LEU A 83 -2.664 -3.222 -0.308 1.00 0.00 C ATOM 500 CG LEU A 83 -1.935 -4.154 -1.284 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.690 -3.425 -2.607 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.591 -4.573 -0.683 1.00 0.00 C ATOM 0 H LEU A 83 -3.989 -2.893 2.447 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.444 -4.389 0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.188 -2.460 -0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.919 -2.707 0.299 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.548 -5.037 -1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.172 -4.090 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.645 -3.125 -3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.079 -2.541 -2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.073 -5.235 -1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.019 -3.688 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.760 -5.095 0.259 1.00 0.00 H new ATOM 514 N VAL A 84 -2.834 -6.151 0.923 1.00 0.00 N ATOM 515 CA VAL A 84 -2.154 -7.236 1.627 1.00 0.00 C ATOM 516 C VAL A 84 -0.772 -7.469 1.021 1.00 0.00 C ATOM 517 O VAL A 84 -0.608 -7.474 -0.199 1.00 0.00 O ATOM 518 CB VAL A 84 -2.967 -8.530 1.535 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.336 -9.596 2.434 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.403 -8.265 1.994 1.00 0.00 C ATOM 0 H VAL A 84 -3.204 -6.403 0.007 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.052 -6.951 2.674 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.973 -8.881 0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.915 -10.517 2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.313 -9.787 2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.330 -9.245 3.466 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.982 -9.186 1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.396 -7.913 3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.855 -7.506 1.355 1.00 0.00 H new ATOM 530 N LEU A 85 0.219 -7.658 1.886 1.00 0.00 N ATOM 531 CA LEU A 85 1.586 -7.888 1.424 1.00 0.00 C ATOM 532 C LEU A 85 2.080 -9.261 1.868 1.00 0.00 C ATOM 533 O LEU A 85 1.547 -9.856 2.805 1.00 0.00 O ATOM 534 CB LEU A 85 2.525 -6.816 1.981 1.00 0.00 C ATOM 535 CG LEU A 85 2.584 -5.514 1.179 1.00 0.00 C ATOM 536 CD1 LEU A 85 3.542 -4.536 1.861 1.00 0.00 C ATOM 537 CD2 LEU A 85 3.081 -5.810 -0.237 1.00 0.00 C ATOM 0 H LEU A 85 0.105 -7.657 2.900 1.00 0.00 H new ATOM 0 HA LEU A 85 1.584 -7.841 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.217 -6.582 3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.531 -7.233 2.040 1.00 0.00 H new ATOM 0 HG LEU A 85 1.589 -5.072 1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.584 -3.609 1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.188 -4.324 2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.538 -4.977 1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.123 -4.883 -0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.076 -6.252 -0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.398 -6.506 -0.724 1.00 0.00 H new ATOM 549 N GLU A 86 3.108 -9.755 1.183 1.00 0.00 N ATOM 550 CA GLU A 86 3.675 -11.059 1.511 1.00 0.00 C ATOM 551 C GLU A 86 5.196 -10.974 1.582 1.00 0.00 C ATOM 552 O GLU A 86 5.870 -10.783 0.570 1.00 0.00 O ATOM 553 CB GLU A 86 3.283 -12.095 0.456 1.00 0.00 C ATOM 554 CG GLU A 86 1.946 -12.733 0.838 1.00 0.00 C ATOM 555 CD GLU A 86 1.925 -14.186 0.375 1.00 0.00 C ATOM 556 OE1 GLU A 86 2.887 -14.887 0.643 1.00 0.00 O ATOM 557 OE2 GLU A 86 0.947 -14.577 -0.240 1.00 0.00 O ATOM 0 H GLU A 86 3.562 -9.277 0.404 1.00 0.00 H new ATOM 0 HA GLU A 86 3.281 -11.363 2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.205 -11.621 -0.523 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.055 -12.861 0.379 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.802 -12.682 1.917 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.124 -12.182 0.380 1.00 0.00 H new ATOM 564 N ALA A 87 5.729 -11.116 2.792 1.00 0.00 N ATOM 565 CA ALA A 87 7.175 -11.053 2.989 1.00 0.00 C ATOM 566 C ALA A 87 7.604 -12.006 4.101 1.00 0.00 C ATOM 567 O ALA A 87 6.894 -12.187 5.091 1.00 0.00 O ATOM 568 CB ALA A 87 7.604 -9.632 3.358 1.00 0.00 C ATOM 0 H ALA A 87 5.189 -11.274 3.643 1.00 0.00 H new ATOM 0 HA ALA A 87 7.654 -11.345 2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.684 -9.604 3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 87 7.326 -8.948 2.556 1.00 0.00 H new ATOM 0 HB3 ALA A 87 7.108 -9.330 4.280 1.00 0.00 H new ATOM 574 N MET A 88 8.775 -12.612 3.926 1.00 0.00 N ATOM 575 CA MET A 88 9.298 -13.549 4.920 1.00 0.00 C ATOM 576 C MET A 88 8.344 -14.727 5.097 1.00 0.00 C ATOM 577 O MET A 88 8.211 -15.279 6.190 1.00 0.00 O ATOM 578 CB MET A 88 9.487 -12.851 6.269 1.00 0.00 C ATOM 579 CG MET A 88 10.466 -11.686 6.108 1.00 0.00 C ATOM 580 SD MET A 88 12.158 -12.282 6.357 1.00 0.00 S ATOM 581 CE MET A 88 12.057 -12.505 8.150 1.00 0.00 C ATOM 0 H MET A 88 9.376 -12.474 3.114 1.00 0.00 H new ATOM 0 HA MET A 88 10.262 -13.913 4.564 1.00 0.00 H new ATOM 0 HB2 MET A 88 8.529 -12.486 6.639 1.00 0.00 H new ATOM 0 HB3 MET A 88 9.865 -13.559 7.007 1.00 0.00 H new ATOM 0 HG2 MET A 88 10.366 -11.247 5.115 1.00 0.00 H new ATOM 0 HG3 MET A 88 10.236 -10.901 6.828 1.00 0.00 H new ATOM 0 HE1 MET A 88 12.813 -11.889 8.636 1.00 0.00 H new ATOM 0 HE2 MET A 88 11.068 -12.208 8.498 1.00 0.00 H new ATOM 0 HE3 MET A 88 12.229 -13.553 8.397 1.00 0.00 H new ATOM 591 N LYS A 89 7.679 -15.105 4.007 1.00 0.00 N ATOM 592 CA LYS A 89 6.734 -16.219 4.046 1.00 0.00 C ATOM 593 C LYS A 89 5.601 -15.925 5.025 1.00 0.00 C ATOM 594 O LYS A 89 5.076 -16.826 5.681 1.00 0.00 O ATOM 595 CB LYS A 89 7.440 -17.512 4.470 1.00 0.00 C ATOM 596 CG LYS A 89 8.547 -17.857 3.463 1.00 0.00 C ATOM 597 CD LYS A 89 9.921 -17.639 4.106 1.00 0.00 C ATOM 598 CE LYS A 89 10.431 -18.961 4.681 1.00 0.00 C ATOM 599 NZ LYS A 89 11.280 -18.740 5.887 1.00 0.00 N ATOM 0 H LYS A 89 7.775 -14.661 3.094 1.00 0.00 H new ATOM 0 HA LYS A 89 6.324 -16.344 3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.866 -17.394 5.466 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.720 -18.328 4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.447 -18.893 3.140 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.449 -17.235 2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 89 10.624 -17.257 3.366 1.00 0.00 H new ATOM 0 HD3 LYS A 89 9.850 -16.890 4.895 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.585 -19.596 4.942 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.006 -19.492 3.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.610 -19.656 6.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.100 -18.154 5.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.723 -18.255 6.620 1.00 0.00 H new ATOM 613 N MET A 90 5.231 -14.651 5.115 1.00 0.00 N ATOM 614 CA MET A 90 4.157 -14.242 6.016 1.00 0.00 C ATOM 615 C MET A 90 3.339 -13.115 5.393 1.00 0.00 C ATOM 616 O MET A 90 3.887 -12.172 4.822 1.00 0.00 O ATOM 617 CB MET A 90 4.732 -13.761 7.350 1.00 0.00 C ATOM 618 CG MET A 90 3.752 -14.092 8.478 1.00 0.00 C ATOM 619 SD MET A 90 4.044 -12.980 9.876 1.00 0.00 S ATOM 620 CE MET A 90 2.473 -13.267 10.726 1.00 0.00 C ATOM 0 H MET A 90 5.653 -13.891 4.582 1.00 0.00 H new ATOM 0 HA MET A 90 3.515 -15.106 6.188 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.693 -14.239 7.537 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.912 -12.687 7.314 1.00 0.00 H new ATOM 0 HG2 MET A 90 2.726 -13.988 8.125 1.00 0.00 H new ATOM 0 HG3 MET A 90 3.878 -15.128 8.791 1.00 0.00 H new ATOM 0 HE1 MET A 90 2.437 -12.668 11.636 1.00 0.00 H new ATOM 0 HE2 MET A 90 1.648 -12.984 10.072 1.00 0.00 H new ATOM 0 HE3 MET A 90 2.386 -14.323 10.983 1.00 0.00 H new ATOM 630 N GLU A 91 2.019 -13.225 5.509 1.00 0.00 N ATOM 631 CA GLU A 91 1.127 -12.210 4.955 1.00 0.00 C ATOM 632 C GLU A 91 1.003 -11.028 5.911 1.00 0.00 C ATOM 633 O GLU A 91 0.675 -11.194 7.087 1.00 0.00 O ATOM 634 CB GLU A 91 -0.264 -12.797 4.706 1.00 0.00 C ATOM 635 CG GLU A 91 -0.260 -13.582 3.393 1.00 0.00 C ATOM 636 CD GLU A 91 -1.596 -14.298 3.224 1.00 0.00 C ATOM 637 OE1 GLU A 91 -2.613 -13.624 3.238 1.00 0.00 O ATOM 638 OE2 GLU A 91 -1.582 -15.509 3.082 1.00 0.00 O ATOM 0 H GLU A 91 1.546 -13.998 5.977 1.00 0.00 H new ATOM 0 HA GLU A 91 1.552 -11.870 4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.548 -13.450 5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.005 -11.998 4.662 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.088 -12.907 2.554 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.555 -14.306 3.392 1.00 0.00 H new ATOM 645 N THR A 92 1.269 -9.834 5.393 1.00 0.00 N ATOM 646 CA THR A 92 1.185 -8.624 6.208 1.00 0.00 C ATOM 647 C THR A 92 0.088 -7.705 5.681 1.00 0.00 C ATOM 648 O THR A 92 0.083 -7.326 4.510 1.00 0.00 O ATOM 649 CB THR A 92 2.517 -7.872 6.191 1.00 0.00 C ATOM 650 OG1 THR A 92 3.569 -8.770 6.514 1.00 0.00 O ATOM 651 CG2 THR A 92 2.478 -6.738 7.216 1.00 0.00 C ATOM 0 H THR A 92 1.542 -9.677 4.423 1.00 0.00 H new ATOM 0 HA THR A 92 0.951 -8.922 7.230 1.00 0.00 H new ATOM 0 HB THR A 92 2.687 -7.455 5.199 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.424 -8.291 6.502 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.428 -6.203 7.203 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.670 -6.050 6.967 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.308 -7.152 8.210 1.00 0.00 H new ATOM 659 N GLU A 93 -0.845 -7.353 6.560 1.00 0.00 N ATOM 660 CA GLU A 93 -1.950 -6.477 6.176 1.00 0.00 C ATOM 661 C GLU A 93 -1.513 -5.017 6.219 1.00 0.00 C ATOM 662 O GLU A 93 -0.909 -4.562 7.192 1.00 0.00 O ATOM 663 CB GLU A 93 -3.139 -6.668 7.118 1.00 0.00 C ATOM 664 CG GLU A 93 -3.623 -8.118 7.046 1.00 0.00 C ATOM 665 CD GLU A 93 -2.960 -8.933 8.150 1.00 0.00 C ATOM 666 OE1 GLU A 93 -3.513 -8.980 9.237 1.00 0.00 O ATOM 667 OE2 GLU A 93 -1.910 -9.498 7.894 1.00 0.00 O ATOM 0 H GLU A 93 -0.860 -7.656 7.534 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.247 -6.738 5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.850 -6.421 8.139 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.947 -5.990 6.842 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.707 -8.156 7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.384 -8.544 6.072 1.00 0.00 H new ATOM 674 N ILE A 94 -1.828 -4.285 5.155 1.00 0.00 N ATOM 675 CA ILE A 94 -1.467 -2.872 5.078 1.00 0.00 C ATOM 676 C ILE A 94 -2.682 -2.000 5.375 1.00 0.00 C ATOM 677 O ILE A 94 -3.706 -2.084 4.696 1.00 0.00 O ATOM 678 CB ILE A 94 -0.933 -2.524 3.685 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.173 -3.517 3.284 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.372 -1.099 3.690 1.00 0.00 C ATOM 681 CD1 ILE A 94 1.334 -3.461 4.287 1.00 0.00 C ATOM 0 H ILE A 94 -2.328 -4.642 4.341 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.689 -2.684 5.818 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.747 -2.589 2.963 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.234 -4.528 3.245 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.537 -3.281 2.284 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.007 -0.854 2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.162 -0.398 3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.438 -1.030 4.416 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.107 -4.169 3.989 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.751 -2.454 4.305 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.969 -3.720 5.281 1.00 0.00 H new ATOM 693 N ASN A 95 -2.559 -1.162 6.400 1.00 0.00 N ATOM 694 CA ASN A 95 -3.654 -0.275 6.782 1.00 0.00 C ATOM 695 C ASN A 95 -3.306 1.170 6.449 1.00 0.00 C ATOM 696 O ASN A 95 -2.155 1.591 6.571 1.00 0.00 O ATOM 697 CB ASN A 95 -3.939 -0.388 8.281 1.00 0.00 C ATOM 698 CG ASN A 95 -4.167 -1.850 8.648 1.00 0.00 C ATOM 699 OD1 ASN A 95 -3.347 -2.712 8.332 1.00 0.00 O ATOM 700 ND2 ASN A 95 -5.245 -2.185 9.304 1.00 0.00 N ATOM 0 H ASN A 95 -1.721 -1.078 6.976 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.541 -0.574 6.223 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -3.103 0.015 8.852 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.817 0.204 8.540 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.407 -3.160 9.554 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -5.925 -1.471 9.566 1.00 0.00 H new ATOM 707 N ALA A 96 -4.314 1.927 6.026 1.00 0.00 N ATOM 708 CA ALA A 96 -4.106 3.329 5.675 1.00 0.00 C ATOM 709 C ALA A 96 -3.615 4.118 6.894 1.00 0.00 C ATOM 710 O ALA A 96 -4.041 3.856 8.019 1.00 0.00 O ATOM 711 CB ALA A 96 -5.408 3.952 5.169 1.00 0.00 C ATOM 0 H ALA A 96 -5.274 1.598 5.918 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.354 3.372 4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.235 4.997 4.912 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.750 3.413 4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.168 3.891 5.948 1.00 0.00 H new ATOM 717 N PRO A 97 -2.716 5.090 6.687 1.00 0.00 N ATOM 718 CA PRO A 97 -2.180 5.907 7.787 1.00 0.00 C ATOM 719 C PRO A 97 -3.208 6.903 8.321 1.00 0.00 C ATOM 720 O PRO A 97 -3.257 7.187 9.517 1.00 0.00 O ATOM 721 CB PRO A 97 -1.002 6.645 7.157 1.00 0.00 C ATOM 722 CG PRO A 97 -1.309 6.697 5.700 1.00 0.00 C ATOM 723 CD PRO A 97 -2.140 5.486 5.388 1.00 0.00 C ATOM 0 HA PRO A 97 -1.900 5.294 8.644 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.897 7.647 7.573 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.064 6.122 7.344 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.849 7.611 5.451 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.392 6.698 5.111 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.919 5.716 4.661 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.533 4.687 4.962 1.00 0.00 H new ATOM 731 N THR A 98 -4.027 7.428 7.415 1.00 0.00 N ATOM 732 CA THR A 98 -5.055 8.391 7.798 1.00 0.00 C ATOM 733 C THR A 98 -6.269 8.263 6.884 1.00 0.00 C ATOM 734 O THR A 98 -6.207 7.627 5.831 1.00 0.00 O ATOM 735 CB THR A 98 -4.512 9.819 7.710 1.00 0.00 C ATOM 736 OG1 THR A 98 -3.854 9.996 6.463 1.00 0.00 O ATOM 737 CG2 THR A 98 -3.523 10.062 8.850 1.00 0.00 C ATOM 0 H THR A 98 -4.000 7.206 6.420 1.00 0.00 H new ATOM 0 HA THR A 98 -5.349 8.179 8.826 1.00 0.00 H new ATOM 0 HB THR A 98 -5.336 10.528 7.791 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.507 10.910 6.403 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.137 11.079 8.786 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.029 9.925 9.806 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.697 9.355 8.772 1.00 0.00 H new ATOM 745 N ASP A 99 -7.375 8.874 7.298 1.00 0.00 N ATOM 746 CA ASP A 99 -8.602 8.823 6.507 1.00 0.00 C ATOM 747 C ASP A 99 -8.422 9.578 5.194 1.00 0.00 C ATOM 748 O ASP A 99 -7.777 10.625 5.147 1.00 0.00 O ATOM 749 CB ASP A 99 -9.768 9.441 7.280 1.00 0.00 C ATOM 750 CG ASP A 99 -9.383 10.837 7.759 1.00 0.00 C ATOM 751 OD1 ASP A 99 -9.486 11.761 6.968 1.00 0.00 O ATOM 752 OD2 ASP A 99 -8.991 10.962 8.907 1.00 0.00 O ATOM 0 H ASP A 99 -7.448 9.405 8.166 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.821 7.776 6.298 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.651 9.495 6.644 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -10.027 8.812 8.132 1.00 0.00 H new ATOM 757 N GLY A 100 -9.000 9.030 4.130 1.00 0.00 N ATOM 758 CA GLY A 100 -8.900 9.657 2.815 1.00 0.00 C ATOM 759 C GLY A 100 -9.516 8.767 1.742 1.00 0.00 C ATOM 760 O GLY A 100 -10.285 7.853 2.038 1.00 0.00 O ATOM 0 H GLY A 100 -9.537 8.163 4.150 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.406 10.622 2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.854 9.849 2.578 1.00 0.00 H new ATOM 764 N LYS A 101 -9.169 9.047 0.489 1.00 0.00 N ATOM 765 CA LYS A 101 -9.692 8.267 -0.629 1.00 0.00 C ATOM 766 C LYS A 101 -8.566 7.881 -1.583 1.00 0.00 C ATOM 767 O LYS A 101 -7.596 8.621 -1.753 1.00 0.00 O ATOM 768 CB LYS A 101 -10.741 9.073 -1.399 1.00 0.00 C ATOM 769 CG LYS A 101 -11.430 8.170 -2.423 1.00 0.00 C ATOM 770 CD LYS A 101 -12.674 8.875 -2.972 1.00 0.00 C ATOM 771 CE LYS A 101 -12.256 9.947 -3.981 1.00 0.00 C ATOM 772 NZ LYS A 101 -12.203 11.297 -3.350 1.00 0.00 N ATOM 0 H LYS A 101 -8.534 9.800 0.223 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.151 7.365 -0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.477 9.485 -0.709 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.269 9.917 -1.902 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.744 7.935 -3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.710 7.224 -1.959 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.334 8.150 -3.449 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.236 9.329 -2.156 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.279 9.698 -4.394 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.960 9.960 -4.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.046 11.842 -3.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.177 11.196 -2.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.349 11.797 -3.670 1.00 0.00 H new ATOM 786 N VAL A 102 -8.704 6.714 -2.203 1.00 0.00 N ATOM 787 CA VAL A 102 -7.692 6.234 -3.140 1.00 0.00 C ATOM 788 C VAL A 102 -7.834 6.950 -4.480 1.00 0.00 C ATOM 789 O VAL A 102 -8.805 6.747 -5.209 1.00 0.00 O ATOM 790 CB VAL A 102 -7.836 4.726 -3.360 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.655 4.213 -4.187 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.852 4.011 -2.006 1.00 0.00 C ATOM 0 H VAL A 102 -9.499 6.087 -2.076 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.710 6.443 -2.716 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.767 4.527 -3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.759 3.139 -4.343 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.639 4.720 -5.152 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.724 4.414 -3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.955 2.937 -2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.921 4.213 -1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.692 4.373 -1.413 1.00 0.00 H new ATOM 802 N GLU A 103 -6.854 7.792 -4.794 1.00 0.00 N ATOM 803 CA GLU A 103 -6.877 8.536 -6.051 1.00 0.00 C ATOM 804 C GLU A 103 -6.076 7.804 -7.124 1.00 0.00 C ATOM 805 O GLU A 103 -6.377 7.899 -8.314 1.00 0.00 O ATOM 806 CB GLU A 103 -6.293 9.940 -5.858 1.00 0.00 C ATOM 807 CG GLU A 103 -4.880 9.838 -5.277 1.00 0.00 C ATOM 808 CD GLU A 103 -4.201 11.202 -5.354 1.00 0.00 C ATOM 809 OE1 GLU A 103 -3.985 11.672 -6.459 1.00 0.00 O ATOM 810 OE2 GLU A 103 -3.906 11.754 -4.308 1.00 0.00 O ATOM 0 H GLU A 103 -6.043 7.976 -4.204 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.916 8.618 -6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.267 10.467 -6.812 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.930 10.520 -5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.924 9.499 -4.242 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.300 9.099 -5.830 1.00 0.00 H new ATOM 817 N LYS A 104 -5.054 7.070 -6.692 1.00 0.00 N ATOM 818 CA LYS A 104 -4.216 6.324 -7.627 1.00 0.00 C ATOM 819 C LYS A 104 -3.485 5.198 -6.902 1.00 0.00 C ATOM 820 O LYS A 104 -2.875 5.408 -5.853 1.00 0.00 O ATOM 821 CB LYS A 104 -3.187 7.247 -8.281 1.00 0.00 C ATOM 822 CG LYS A 104 -2.894 6.760 -9.701 1.00 0.00 C ATOM 823 CD LYS A 104 -1.636 7.451 -10.229 1.00 0.00 C ATOM 824 CE LYS A 104 -1.605 7.359 -11.755 1.00 0.00 C ATOM 825 NZ LYS A 104 -2.365 8.477 -12.383 1.00 0.00 N ATOM 0 H LYS A 104 -4.788 6.976 -5.712 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.863 5.903 -8.397 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.564 8.269 -8.306 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.269 7.260 -7.693 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.756 5.679 -9.705 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.741 6.976 -10.353 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.624 8.495 -9.917 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.747 6.982 -9.808 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.572 7.380 -12.101 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.028 6.406 -12.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -2.325 8.386 -13.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -3.356 8.441 -12.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.945 9.385 -12.099 1.00 0.00 H new ATOM 839 N VAL A 105 -3.555 4.000 -7.473 1.00 0.00 N ATOM 840 CA VAL A 105 -2.896 2.841 -6.874 1.00 0.00 C ATOM 841 C VAL A 105 -1.535 2.611 -7.524 1.00 0.00 C ATOM 842 O VAL A 105 -1.445 2.222 -8.688 1.00 0.00 O ATOM 843 CB VAL A 105 -3.752 1.583 -7.051 1.00 0.00 C ATOM 844 CG1 VAL A 105 -3.148 0.430 -6.241 1.00 0.00 C ATOM 845 CG2 VAL A 105 -5.177 1.860 -6.561 1.00 0.00 C ATOM 0 H VAL A 105 -4.055 3.805 -8.340 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.765 3.041 -5.811 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.777 1.309 -8.106 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.759 -0.464 -6.369 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.135 0.230 -6.592 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.120 0.702 -5.186 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.786 0.965 -6.687 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.152 2.136 -5.507 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.609 2.677 -7.140 1.00 0.00 H new ATOM 855 N LEU A 106 -0.475 2.856 -6.755 1.00 0.00 N ATOM 856 CA LEU A 106 0.888 2.673 -7.260 1.00 0.00 C ATOM 857 C LEU A 106 1.402 1.252 -6.998 1.00 0.00 C ATOM 858 O LEU A 106 2.602 1.043 -6.823 1.00 0.00 O ATOM 859 CB LEU A 106 1.837 3.670 -6.595 1.00 0.00 C ATOM 860 CG LEU A 106 1.397 5.135 -6.651 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.288 5.972 -5.733 1.00 0.00 C ATOM 862 CD2 LEU A 106 1.522 5.647 -8.088 1.00 0.00 C ATOM 0 H LEU A 106 -0.530 3.179 -5.789 1.00 0.00 H new ATOM 0 HA LEU A 106 0.859 2.842 -8.336 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.961 3.386 -5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.816 3.584 -7.067 1.00 0.00 H new ATOM 0 HG LEU A 106 0.361 5.217 -6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.974 7.015 -5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.202 5.606 -4.710 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.325 5.892 -6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.209 6.690 -8.131 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.559 5.565 -8.415 1.00 0.00 H new ATOM 0 HD23 LEU A 106 0.887 5.051 -8.743 1.00 0.00 H new ATOM 874 N VAL A 107 0.493 0.279 -6.973 1.00 0.00 N ATOM 875 CA VAL A 107 0.883 -1.108 -6.731 1.00 0.00 C ATOM 876 C VAL A 107 -0.151 -2.059 -7.326 1.00 0.00 C ATOM 877 O VAL A 107 -1.356 -1.823 -7.236 1.00 0.00 O ATOM 878 CB VAL A 107 1.002 -1.380 -5.230 1.00 0.00 C ATOM 879 CG1 VAL A 107 2.172 -0.581 -4.655 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.293 -0.959 -4.532 1.00 0.00 C ATOM 0 H VAL A 107 -0.507 0.423 -7.115 1.00 0.00 H new ATOM 0 HA VAL A 107 1.850 -1.273 -7.206 1.00 0.00 H new ATOM 0 HB VAL A 107 1.175 -2.444 -5.068 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.255 -0.776 -3.586 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.095 -0.880 -5.151 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.001 0.483 -4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.209 -1.152 -3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.466 0.105 -4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.128 -1.529 -4.940 1.00 0.00 H new ATOM 890 N LYS A 108 0.335 -3.136 -7.936 1.00 0.00 N ATOM 891 CA LYS A 108 -0.557 -4.120 -8.545 1.00 0.00 C ATOM 892 C LYS A 108 -0.272 -5.509 -7.979 1.00 0.00 C ATOM 893 O LYS A 108 0.760 -5.738 -7.348 1.00 0.00 O ATOM 894 CB LYS A 108 -0.368 -4.139 -10.070 1.00 0.00 C ATOM 895 CG LYS A 108 -1.733 -4.087 -10.772 1.00 0.00 C ATOM 896 CD LYS A 108 -2.110 -5.484 -11.278 1.00 0.00 C ATOM 897 CE LYS A 108 -2.858 -5.364 -12.608 1.00 0.00 C ATOM 898 NZ LYS A 108 -2.583 -6.529 -13.494 1.00 0.00 N ATOM 0 H LYS A 108 1.329 -3.349 -8.022 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.586 -3.842 -8.316 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.241 -3.290 -10.379 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.168 -5.041 -10.367 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.494 -3.723 -10.082 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.697 -3.386 -11.606 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.213 -6.089 -11.407 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.734 -5.992 -10.543 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.929 -5.293 -12.419 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.562 -4.444 -13.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.105 -6.417 -14.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.564 -6.581 -13.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.889 -7.404 -13.022 1.00 0.00 H new ATOM 912 N GLU A 109 -1.200 -6.434 -8.211 1.00 0.00 N ATOM 913 CA GLU A 109 -1.041 -7.800 -7.719 1.00 0.00 C ATOM 914 C GLU A 109 0.207 -8.443 -8.317 1.00 0.00 C ATOM 915 O GLU A 109 0.586 -8.160 -9.453 1.00 0.00 O ATOM 916 CB GLU A 109 -2.263 -8.646 -8.086 1.00 0.00 C ATOM 917 CG GLU A 109 -3.480 -8.154 -7.302 1.00 0.00 C ATOM 918 CD GLU A 109 -4.722 -8.908 -7.763 1.00 0.00 C ATOM 919 OE1 GLU A 109 -4.699 -10.128 -7.725 1.00 0.00 O ATOM 920 OE2 GLU A 109 -5.679 -8.255 -8.148 1.00 0.00 O ATOM 0 H GLU A 109 -2.061 -6.266 -8.731 1.00 0.00 H new ATOM 0 HA GLU A 109 -0.941 -7.757 -6.634 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.456 -8.579 -9.157 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.073 -9.695 -7.861 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.324 -8.308 -6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.615 -7.083 -7.454 1.00 0.00 H new ATOM 927 N ARG A 110 0.841 -9.313 -7.535 1.00 0.00 N ATOM 928 CA ARG A 110 2.051 -9.997 -7.990 1.00 0.00 C ATOM 929 C ARG A 110 3.152 -8.987 -8.298 1.00 0.00 C ATOM 930 O ARG A 110 3.940 -9.167 -9.227 1.00 0.00 O ATOM 931 CB ARG A 110 1.761 -10.823 -9.249 1.00 0.00 C ATOM 932 CG ARG A 110 2.839 -11.906 -9.422 1.00 0.00 C ATOM 933 CD ARG A 110 3.511 -11.761 -10.792 1.00 0.00 C ATOM 934 NE ARG A 110 2.938 -12.703 -11.748 1.00 0.00 N ATOM 935 CZ ARG A 110 3.703 -13.591 -12.377 1.00 0.00 C ATOM 936 NH1 ARG A 110 4.792 -13.201 -12.983 1.00 0.00 N ATOM 937 NH2 ARG A 110 3.366 -14.852 -12.389 1.00 0.00 N ATOM 0 H ARG A 110 0.542 -9.560 -6.592 1.00 0.00 H new ATOM 0 HA ARG A 110 2.382 -10.661 -7.191 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.777 -11.286 -9.173 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.741 -10.174 -10.124 1.00 0.00 H new ATOM 0 HG2 ARG A 110 3.584 -11.819 -8.631 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.391 -12.895 -9.330 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.386 -10.742 -11.158 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.583 -11.937 -10.698 1.00 0.00 H new ATOM 0 HE ARG A 110 1.936 -12.680 -11.937 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.056 -12.216 -12.974 1.00 0.00 H new ATOM 0 HH12 ARG A 110 5.379 -13.882 -13.465 1.00 0.00 H new ATOM 0 HH21 ARG A 110 2.515 -15.157 -11.916 1.00 0.00 H new ATOM 0 HH22 ARG A 110 3.953 -15.532 -12.872 1.00 0.00 H new ATOM 951 N ASP A 111 3.198 -7.921 -7.504 1.00 0.00 N ATOM 952 CA ASP A 111 4.208 -6.882 -7.696 1.00 0.00 C ATOM 953 C ASP A 111 5.051 -6.720 -6.435 1.00 0.00 C ATOM 954 O ASP A 111 4.531 -6.725 -5.319 1.00 0.00 O ATOM 955 CB ASP A 111 3.545 -5.544 -8.028 1.00 0.00 C ATOM 956 CG ASP A 111 4.503 -4.691 -8.852 1.00 0.00 C ATOM 957 OD1 ASP A 111 5.692 -4.744 -8.583 1.00 0.00 O ATOM 958 OD2 ASP A 111 4.034 -4.000 -9.740 1.00 0.00 O ATOM 0 H ASP A 111 2.556 -7.754 -6.729 1.00 0.00 H new ATOM 0 HA ASP A 111 4.848 -7.184 -8.525 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.622 -5.712 -8.583 1.00 0.00 H new ATOM 0 HB3 ASP A 111 3.275 -5.022 -7.110 1.00 0.00 H new ATOM 963 N ALA A 112 6.359 -6.575 -6.627 1.00 0.00 N ATOM 964 CA ALA A 112 7.270 -6.411 -5.498 1.00 0.00 C ATOM 965 C ALA A 112 7.420 -4.935 -5.145 1.00 0.00 C ATOM 966 O ALA A 112 7.592 -4.087 -6.020 1.00 0.00 O ATOM 967 CB ALA A 112 8.648 -6.984 -5.834 1.00 0.00 C ATOM 0 H ALA A 112 6.808 -6.568 -7.543 1.00 0.00 H new ATOM 0 HA ALA A 112 6.851 -6.948 -4.647 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.314 -6.853 -4.981 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.555 -8.046 -6.062 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.058 -6.462 -6.698 1.00 0.00 H new ATOM 973 N VAL A 113 7.352 -4.639 -3.851 1.00 0.00 N ATOM 974 CA VAL A 113 7.480 -3.261 -3.386 1.00 0.00 C ATOM 975 C VAL A 113 8.636 -3.138 -2.397 1.00 0.00 C ATOM 976 O VAL A 113 9.028 -4.112 -1.754 1.00 0.00 O ATOM 977 CB VAL A 113 6.190 -2.802 -2.705 1.00 0.00 C ATOM 978 CG1 VAL A 113 5.060 -2.751 -3.734 1.00 0.00 C ATOM 979 CG2 VAL A 113 5.822 -3.789 -1.594 1.00 0.00 C ATOM 0 H VAL A 113 7.210 -5.327 -3.111 1.00 0.00 H new ATOM 0 HA VAL A 113 7.675 -2.630 -4.254 1.00 0.00 H new ATOM 0 HB VAL A 113 6.338 -1.810 -2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.140 -2.424 -3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.321 -2.050 -4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.912 -3.743 -4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.903 -3.463 -1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.674 -4.780 -2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.627 -3.827 -0.860 1.00 0.00 H new ATOM 989 N GLN A 114 9.174 -1.928 -2.283 1.00 0.00 N ATOM 990 CA GLN A 114 10.285 -1.683 -1.369 1.00 0.00 C ATOM 991 C GLN A 114 9.783 -1.041 -0.080 1.00 0.00 C ATOM 992 O GLN A 114 8.834 -0.256 -0.090 1.00 0.00 O ATOM 993 CB GLN A 114 11.318 -0.757 -2.016 1.00 0.00 C ATOM 994 CG GLN A 114 12.254 -1.578 -2.907 1.00 0.00 C ATOM 995 CD GLN A 114 13.646 -0.957 -2.892 1.00 0.00 C ATOM 996 OE1 GLN A 114 14.555 -1.471 -2.242 1.00 0.00 O ATOM 997 NE2 GLN A 114 13.868 0.131 -3.578 1.00 0.00 N ATOM 0 H GLN A 114 8.863 -1.109 -2.806 1.00 0.00 H new ATOM 0 HA GLN A 114 10.750 -2.642 -1.141 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.816 0.009 -2.607 1.00 0.00 H new ATOM 0 HB3 GLN A 114 11.892 -0.241 -1.246 1.00 0.00 H new ATOM 0 HG2 GLN A 114 12.300 -2.608 -2.553 1.00 0.00 H new ATOM 0 HG3 GLN A 114 11.869 -1.609 -3.926 1.00 0.00 H new ATOM 0 HE21 GLN A 114 13.114 0.557 -4.117 1.00 0.00 H new ATOM 0 HE22 GLN A 114 14.796 0.555 -3.575 1.00 0.00 H new ATOM 1006 N GLY A 115 10.431 -1.383 1.030 1.00 0.00 N ATOM 1007 CA GLY A 115 10.042 -0.833 2.327 1.00 0.00 C ATOM 1008 C GLY A 115 10.188 0.684 2.335 1.00 0.00 C ATOM 1009 O GLY A 115 11.296 1.217 2.271 1.00 0.00 O ATOM 0 H GLY A 115 11.219 -2.030 1.060 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.010 -1.105 2.548 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.661 -1.267 3.112 1.00 0.00 H new ATOM 1013 N GLY A 116 9.054 1.375 2.413 1.00 0.00 N ATOM 1014 CA GLY A 116 9.063 2.835 2.425 1.00 0.00 C ATOM 1015 C GLY A 116 8.499 3.398 1.124 1.00 0.00 C ATOM 1016 O GLY A 116 7.955 4.502 1.095 1.00 0.00 O ATOM 0 H GLY A 116 8.127 0.954 2.468 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.475 3.199 3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.082 3.194 2.569 1.00 0.00 H new ATOM 1020 N GLN A 117 8.636 2.629 0.043 1.00 0.00 N ATOM 1021 CA GLN A 117 8.137 3.062 -1.264 1.00 0.00 C ATOM 1022 C GLN A 117 6.640 3.360 -1.201 1.00 0.00 C ATOM 1023 O GLN A 117 5.892 2.706 -0.474 1.00 0.00 O ATOM 1024 CB GLN A 117 8.383 1.978 -2.314 1.00 0.00 C ATOM 1025 CG GLN A 117 8.238 2.578 -3.714 1.00 0.00 C ATOM 1026 CD GLN A 117 7.897 1.475 -4.709 1.00 0.00 C ATOM 1027 OE1 GLN A 117 8.502 0.403 -4.689 1.00 0.00 O ATOM 1028 NE2 GLN A 117 6.953 1.675 -5.588 1.00 0.00 N ATOM 0 H GLN A 117 9.083 1.712 0.045 1.00 0.00 H new ATOM 0 HA GLN A 117 8.673 3.970 -1.541 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.380 1.556 -2.189 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.673 1.162 -2.182 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.457 3.338 -3.716 1.00 0.00 H new ATOM 0 HG3 GLN A 117 9.164 3.072 -4.007 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.452 2.563 -5.605 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.717 0.943 -6.258 1.00 0.00 H new ATOM 1037 N GLY A 118 6.216 4.359 -1.970 1.00 0.00 N ATOM 1038 CA GLY A 118 4.807 4.742 -1.997 1.00 0.00 C ATOM 1039 C GLY A 118 3.939 3.586 -2.481 1.00 0.00 C ATOM 1040 O GLY A 118 4.127 3.069 -3.582 1.00 0.00 O ATOM 0 H GLY A 118 6.820 4.913 -2.577 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.490 5.048 -1.000 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.672 5.603 -2.652 1.00 0.00 H new ATOM 1044 N LEU A 119 2.986 3.187 -1.644 1.00 0.00 N ATOM 1045 CA LEU A 119 2.089 2.088 -1.992 1.00 0.00 C ATOM 1046 C LEU A 119 0.847 2.616 -2.702 1.00 0.00 C ATOM 1047 O LEU A 119 0.533 2.210 -3.820 1.00 0.00 O ATOM 1048 CB LEU A 119 1.658 1.330 -0.736 1.00 0.00 C ATOM 1049 CG LEU A 119 2.765 0.544 -0.029 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.233 -0.009 1.294 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.215 -0.615 -0.921 1.00 0.00 C ATOM 0 H LEU A 119 2.815 3.603 -0.728 1.00 0.00 H new ATOM 0 HA LEU A 119 2.629 1.413 -2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.235 2.044 -0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.860 0.638 -1.006 1.00 0.00 H new ATOM 0 HG LEU A 119 3.611 1.203 0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.021 -0.569 1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.911 0.816 1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.387 -0.669 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.003 -1.176 -0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.369 -1.274 -1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.594 -0.222 -1.865 1.00 0.00 H new ATOM 1063 N ILE A 120 0.143 3.527 -2.036 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.069 4.108 -2.608 1.00 0.00 C ATOM 1065 C ILE A 120 -1.148 5.595 -2.281 1.00 0.00 C ATOM 1066 O ILE A 120 -0.722 6.036 -1.214 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.314 3.407 -2.056 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.176 1.895 -2.250 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.556 3.902 -2.802 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.334 1.183 -1.548 1.00 0.00 C ATOM 0 H ILE A 120 0.387 3.876 -1.109 1.00 0.00 H new ATOM 0 HA ILE A 120 -1.030 3.974 -3.689 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.414 3.632 -0.994 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.177 1.652 -3.313 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.224 1.551 -1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.441 3.402 -2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.657 4.979 -2.666 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.456 3.678 -3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.236 0.106 -1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.313 1.416 -0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.279 1.519 -1.974 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.699 6.364 -3.216 1.00 0.00 N ATOM 1083 CA LYS A 121 -1.832 7.806 -3.023 1.00 0.00 C ATOM 1084 C LYS A 121 -3.191 8.137 -2.414 1.00 0.00 C ATOM 1085 O LYS A 121 -4.235 7.772 -2.954 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.689 8.539 -4.358 1.00 0.00 C ATOM 1087 CG LYS A 121 -1.016 9.894 -4.130 1.00 0.00 C ATOM 1088 CD LYS A 121 -0.832 10.605 -5.473 1.00 0.00 C ATOM 1089 CE LYS A 121 0.307 9.945 -6.251 1.00 0.00 C ATOM 1090 NZ LYS A 121 0.052 9.976 -7.719 1.00 0.00 N ATOM 0 H LYS A 121 -2.057 6.018 -4.106 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.042 8.131 -2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -1.098 7.940 -5.052 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.669 8.680 -4.814 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -1.623 10.506 -3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -0.050 9.755 -3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -1.755 10.558 -6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -0.611 11.660 -5.310 1.00 0.00 H new ATOM 0 HE2 LYS A 121 1.244 10.457 -6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 121 0.424 8.912 -5.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 0.843 9.521 -8.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -0.830 9.466 -7.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -0.035 10.963 -8.035 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.165 8.835 -1.283 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.400 9.213 -0.604 1.00 0.00 C ATOM 1106 C ILE A 122 -4.713 10.686 -0.848 1.00 0.00 C ATOM 1107 O ILE A 122 -3.813 11.520 -0.940 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.280 8.971 0.905 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -3.793 7.536 1.168 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.643 9.184 1.571 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -4.777 6.517 0.577 1.00 0.00 C ATOM 0 H ILE A 122 -2.311 9.148 -0.821 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.206 8.599 -1.006 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.560 9.674 1.324 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.806 7.394 0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.690 7.371 2.241 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.555 9.011 2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -5.979 10.206 1.394 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.367 8.487 1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.416 5.507 0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.756 6.648 1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -4.858 6.671 -0.499 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.002 10.994 -0.953 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.430 12.371 -1.186 1.00 0.00 C ATOM 1125 C GLY A 123 -7.730 12.404 -1.983 1.00 0.00 C ATOM 1126 O GLY A 123 -7.869 11.599 -2.887 1.00 0.00 O ATOM 1127 OXT GLY A 123 -8.568 13.236 -1.676 1.00 0.00 O ATOM 0 H GLY A 123 -6.762 10.317 -0.882 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -6.569 12.880 -0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.653 12.912 -1.726 1.00 0.00 H new TER 1131 GLY A 123