USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 575 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 71 HIS : no HD1:sc= -0.343! C(o=-0.34!,f=-5.8!) USER MOD Set 1.2: A 73 HIS : no HD1:sc= 0 X(o=-0.34,f=-0.37) USER MOD Single : A 1 ALA N :NH3+ -177:sc= -0.188 (180deg=-0.204) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 32:sc= 0.379 USER MOD Single : A 8 ASN : amide:sc= -0.767 K(o=-0.77,f=-4.8!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 7:sc= 0.137 USER MOD Single : A 12 SER OG : rot -18:sc= 0.835 USER MOD Single : A 14 ASN : amide:sc= -1.9! C(o=-1.9!,f=-3.8!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 62:sc= 1.03 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 33 THR OG1 : rot 65:sc= -0.0679! USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= 1.06 (180deg=0.877) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.397 USER MOD Single : A 53 HIS : no HD1:sc= -0.453 X(o=-0.45,f=-0.046) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -159:sc= -0.0495 (180deg=-0.492) USER MOD Single : A 72 HIS : no HD1:sc= -1.6! K(o=-1.6!,f=-0.45) USER MOD Single : A 74 HIS : no HE2:sc= -2.14! C(o=-2.1!,f=-3.9!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 7.088 5.606 12.532 1.00 0.00 N ATOM 2 CA ALA A 1 8.474 5.952 12.109 1.00 0.00 C ATOM 3 C ALA A 1 8.459 6.298 10.618 1.00 0.00 C ATOM 4 O ALA A 1 9.478 6.593 10.025 1.00 0.00 O ATOM 5 CB ALA A 1 9.397 4.757 12.361 1.00 0.00 C ATOM 0 H1 ALA A 1 7.074 5.418 13.555 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.451 6.400 12.317 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.770 4.759 12.020 1.00 0.00 H new ATOM 0 HA ALA A 1 8.840 6.806 12.679 1.00 0.00 H new ATOM 0 HB1 ALA A 1 10.411 5.009 12.052 1.00 0.00 H new ATOM 0 HB2 ALA A 1 9.392 4.511 13.423 1.00 0.00 H new ATOM 0 HB3 ALA A 1 9.046 3.899 11.788 1.00 0.00 H new ATOM 13 N GLU A 2 7.297 6.265 10.021 1.00 0.00 N ATOM 14 CA GLU A 2 7.169 6.593 8.571 1.00 0.00 C ATOM 15 C GLU A 2 8.084 5.693 7.740 1.00 0.00 C ATOM 16 O GLU A 2 9.294 5.763 7.827 1.00 0.00 O ATOM 17 CB GLU A 2 7.521 8.065 8.331 1.00 0.00 C ATOM 18 CG GLU A 2 6.438 8.939 8.959 1.00 0.00 C ATOM 19 CD GLU A 2 6.808 10.413 8.800 1.00 0.00 C ATOM 20 OE1 GLU A 2 7.846 10.682 8.217 1.00 0.00 O ATOM 21 OE2 GLU A 2 6.048 11.246 9.259 1.00 0.00 O ATOM 0 H GLU A 2 6.420 6.022 10.482 1.00 0.00 H new ATOM 0 HA GLU A 2 6.137 6.421 8.264 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.493 8.297 8.767 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.595 8.266 7.262 1.00 0.00 H new ATOM 0 HG2 GLU A 2 5.477 8.742 8.483 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.327 8.694 10.015 1.00 0.00 H new ATOM 28 N LYS A 3 7.501 4.846 6.924 1.00 0.00 N ATOM 29 CA LYS A 3 8.312 3.927 6.067 1.00 0.00 C ATOM 30 C LYS A 3 7.786 3.959 4.634 1.00 0.00 C ATOM 31 O LYS A 3 6.619 4.199 4.399 1.00 0.00 O ATOM 32 CB LYS A 3 8.214 2.503 6.612 1.00 0.00 C ATOM 33 CG LYS A 3 8.909 2.437 7.972 1.00 0.00 C ATOM 34 CD LYS A 3 8.935 0.991 8.480 1.00 0.00 C ATOM 35 CE LYS A 3 7.530 0.548 8.902 1.00 0.00 C ATOM 36 NZ LYS A 3 7.630 -0.696 9.717 1.00 0.00 N ATOM 0 H LYS A 3 6.491 4.753 6.816 1.00 0.00 H new ATOM 0 HA LYS A 3 9.353 4.252 6.077 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.169 2.209 6.710 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.679 1.802 5.918 1.00 0.00 H new ATOM 0 HG2 LYS A 3 9.926 2.820 7.888 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.387 3.073 8.687 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.312 0.331 7.699 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.619 0.908 9.325 1.00 0.00 H new ATOM 0 HE2 LYS A 3 7.045 1.336 9.478 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.912 0.371 8.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.678 -1.000 10.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.076 -1.446 9.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.205 -0.511 10.563 1.00 0.00 H new ATOM 50 N THR A 4 8.647 3.722 3.670 1.00 0.00 N ATOM 51 CA THR A 4 8.215 3.738 2.237 1.00 0.00 C ATOM 52 C THR A 4 8.392 2.341 1.638 1.00 0.00 C ATOM 53 O THR A 4 9.485 1.808 1.580 1.00 0.00 O ATOM 54 CB THR A 4 9.074 4.746 1.468 1.00 0.00 C ATOM 55 OG1 THR A 4 10.447 4.460 1.685 1.00 0.00 O ATOM 56 CG2 THR A 4 8.757 6.155 1.966 1.00 0.00 C ATOM 0 H THR A 4 9.635 3.517 3.817 1.00 0.00 H new ATOM 0 HA THR A 4 7.166 4.026 2.168 1.00 0.00 H new ATOM 0 HB THR A 4 8.858 4.678 0.402 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.565 3.494 1.802 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.365 6.878 1.423 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.702 6.371 1.800 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.978 6.223 3.031 1.00 0.00 H new ATOM 64 N GLY A 5 7.308 1.742 1.206 1.00 0.00 N ATOM 65 CA GLY A 5 7.370 0.368 0.616 1.00 0.00 C ATOM 66 C GLY A 5 7.209 0.439 -0.906 1.00 0.00 C ATOM 67 O GLY A 5 6.309 1.078 -1.416 1.00 0.00 O ATOM 0 H GLY A 5 6.374 2.151 1.238 1.00 0.00 H new ATOM 0 HA2 GLY A 5 8.321 -0.101 0.867 1.00 0.00 H new ATOM 0 HA3 GLY A 5 6.585 -0.255 1.044 1.00 0.00 H new ATOM 71 N ILE A 6 8.071 -0.222 -1.632 1.00 0.00 N ATOM 72 CA ILE A 6 7.974 -0.209 -3.119 1.00 0.00 C ATOM 73 C ILE A 6 6.987 -1.288 -3.576 1.00 0.00 C ATOM 74 O ILE A 6 7.106 -2.445 -3.225 1.00 0.00 O ATOM 75 CB ILE A 6 9.361 -0.480 -3.714 1.00 0.00 C ATOM 76 CG1 ILE A 6 10.260 0.741 -3.469 1.00 0.00 C ATOM 77 CG2 ILE A 6 9.246 -0.733 -5.224 1.00 0.00 C ATOM 78 CD1 ILE A 6 10.441 0.980 -1.964 1.00 0.00 C ATOM 0 H ILE A 6 8.842 -0.773 -1.256 1.00 0.00 H new ATOM 0 HA ILE A 6 7.618 0.763 -3.459 1.00 0.00 H new ATOM 0 HB ILE A 6 9.791 -1.361 -3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.231 0.585 -3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 6 9.820 1.623 -3.933 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.236 -0.924 -5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.606 -1.597 -5.400 1.00 0.00 H new ATOM 0 HG23 ILE A 6 8.814 0.143 -5.708 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.081 1.849 -1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.469 1.158 -1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.902 0.103 -1.509 1.00 0.00 H new ATOM 90 N VAL A 7 6.008 -0.912 -4.354 1.00 0.00 N ATOM 91 CA VAL A 7 5.010 -1.906 -4.830 1.00 0.00 C ATOM 92 C VAL A 7 5.624 -2.777 -5.929 1.00 0.00 C ATOM 93 O VAL A 7 6.177 -2.282 -6.892 1.00 0.00 O ATOM 94 CB VAL A 7 3.798 -1.161 -5.380 1.00 0.00 C ATOM 95 CG1 VAL A 7 2.827 -2.149 -6.036 1.00 0.00 C ATOM 96 CG2 VAL A 7 3.093 -0.436 -4.232 1.00 0.00 C ATOM 0 H VAL A 7 5.858 0.043 -4.680 1.00 0.00 H new ATOM 0 HA VAL A 7 4.707 -2.548 -4.003 1.00 0.00 H new ATOM 0 HB VAL A 7 4.126 -0.439 -6.128 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.965 -1.608 -6.426 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.330 -2.666 -6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.494 -2.877 -5.296 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.225 0.099 -4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.769 -1.163 -3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.781 0.273 -3.772 1.00 0.00 H new ATOM 106 N ASN A 8 5.517 -4.075 -5.786 1.00 0.00 N ATOM 107 CA ASN A 8 6.079 -5.012 -6.806 1.00 0.00 C ATOM 108 C ASN A 8 4.949 -5.875 -7.372 1.00 0.00 C ATOM 109 O ASN A 8 4.499 -6.813 -6.744 1.00 0.00 O ATOM 110 CB ASN A 8 7.123 -5.903 -6.137 1.00 0.00 C ATOM 111 CG ASN A 8 7.757 -6.818 -7.183 1.00 0.00 C ATOM 112 OD1 ASN A 8 7.311 -6.872 -8.312 1.00 0.00 O ATOM 113 ND2 ASN A 8 8.788 -7.547 -6.852 1.00 0.00 N ATOM 0 H ASN A 8 5.059 -4.530 -4.996 1.00 0.00 H new ATOM 0 HA ASN A 8 6.544 -4.450 -7.616 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.889 -5.290 -5.662 1.00 0.00 H new ATOM 0 HB3 ASN A 8 6.659 -6.498 -5.351 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.220 -8.162 -7.541 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.162 -7.501 -5.904 1.00 0.00 H new ATOM 120 N VAL A 9 4.487 -5.561 -8.556 1.00 0.00 N ATOM 121 CA VAL A 9 3.382 -6.353 -9.180 1.00 0.00 C ATOM 122 C VAL A 9 3.688 -6.595 -10.656 1.00 0.00 C ATOM 123 O VAL A 9 4.491 -5.915 -11.260 1.00 0.00 O ATOM 124 CB VAL A 9 2.055 -5.589 -9.059 1.00 0.00 C ATOM 125 CG1 VAL A 9 1.635 -5.524 -7.591 1.00 0.00 C ATOM 126 CG2 VAL A 9 2.220 -4.165 -9.605 1.00 0.00 C ATOM 0 H VAL A 9 4.830 -4.785 -9.121 1.00 0.00 H new ATOM 0 HA VAL A 9 3.299 -7.308 -8.662 1.00 0.00 H new ATOM 0 HB VAL A 9 1.290 -6.109 -9.636 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.693 -4.982 -7.506 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.508 -6.535 -7.204 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.404 -5.009 -7.015 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.275 -3.629 -9.516 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.988 -3.643 -9.034 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.514 -4.209 -10.654 1.00 0.00 H new ATOM 136 N SER A 10 3.045 -7.570 -11.238 1.00 0.00 N ATOM 137 CA SER A 10 3.280 -7.873 -12.676 1.00 0.00 C ATOM 138 C SER A 10 2.430 -6.931 -13.537 1.00 0.00 C ATOM 139 O SER A 10 2.622 -6.819 -14.733 1.00 0.00 O ATOM 140 CB SER A 10 2.875 -9.322 -12.945 1.00 0.00 C ATOM 141 OG SER A 10 1.493 -9.480 -12.665 1.00 0.00 O ATOM 0 H SER A 10 2.364 -8.172 -10.776 1.00 0.00 H new ATOM 0 HA SER A 10 4.333 -7.733 -12.922 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.080 -9.583 -13.983 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.464 -9.998 -12.325 1.00 0.00 H new ATOM 0 HG SER A 10 1.228 -10.408 -12.838 1.00 0.00 H new ATOM 147 N SER A 11 1.491 -6.249 -12.933 1.00 0.00 N ATOM 148 CA SER A 11 0.624 -5.307 -13.705 1.00 0.00 C ATOM 149 C SER A 11 0.273 -4.107 -12.825 1.00 0.00 C ATOM 150 O SER A 11 0.719 -3.000 -13.056 1.00 0.00 O ATOM 151 CB SER A 11 -0.667 -6.023 -14.112 1.00 0.00 C ATOM 152 OG SER A 11 -0.401 -6.899 -15.201 1.00 0.00 O ATOM 0 H SER A 11 1.286 -6.304 -11.935 1.00 0.00 H new ATOM 0 HA SER A 11 1.155 -4.970 -14.595 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.065 -6.586 -13.268 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.426 -5.294 -14.395 1.00 0.00 H new ATOM 0 HG SER A 11 0.565 -6.933 -15.365 1.00 0.00 H new ATOM 158 N SER A 12 -0.531 -4.313 -11.815 1.00 0.00 N ATOM 159 CA SER A 12 -0.912 -3.173 -10.932 1.00 0.00 C ATOM 160 C SER A 12 -1.342 -3.698 -9.566 1.00 0.00 C ATOM 161 O SER A 12 -1.538 -4.883 -9.380 1.00 0.00 O ATOM 162 CB SER A 12 -2.075 -2.407 -11.554 1.00 0.00 C ATOM 163 OG SER A 12 -1.679 -1.897 -12.818 1.00 0.00 O ATOM 0 H SER A 12 -0.937 -5.215 -11.565 1.00 0.00 H new ATOM 0 HA SER A 12 -0.052 -2.512 -10.818 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.938 -3.063 -11.668 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.380 -1.591 -10.899 1.00 0.00 H new ATOM 0 HG SER A 12 -0.701 -1.893 -12.877 1.00 0.00 H new ATOM 169 N LEU A 13 -1.493 -2.815 -8.603 1.00 0.00 N ATOM 170 CA LEU A 13 -1.918 -3.242 -7.229 1.00 0.00 C ATOM 171 C LEU A 13 -3.278 -2.626 -6.891 1.00 0.00 C ATOM 172 O LEU A 13 -3.491 -1.437 -7.026 1.00 0.00 O ATOM 173 CB LEU A 13 -0.881 -2.772 -6.204 1.00 0.00 C ATOM 174 CG LEU A 13 -1.252 -3.285 -4.800 1.00 0.00 C ATOM 175 CD1 LEU A 13 -1.192 -4.824 -4.753 1.00 0.00 C ATOM 176 CD2 LEU A 13 -0.279 -2.692 -3.772 1.00 0.00 C ATOM 0 H LEU A 13 -1.339 -1.813 -8.711 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.996 -4.329 -7.201 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.108 -3.136 -6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.830 -1.683 -6.200 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.270 -2.974 -4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.457 -5.168 -3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.894 -5.238 -5.477 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.183 -5.156 -4.995 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.538 -3.052 -2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.739 -2.998 -4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.346 -1.604 -3.793 1.00 0.00 H new ATOM 188 N ASN A 14 -4.201 -3.438 -6.443 1.00 0.00 N ATOM 189 CA ASN A 14 -5.555 -2.926 -6.084 1.00 0.00 C ATOM 190 C ASN A 14 -5.572 -2.490 -4.613 1.00 0.00 C ATOM 191 O ASN A 14 -5.279 -3.259 -3.718 1.00 0.00 O ATOM 192 CB ASN A 14 -6.589 -4.031 -6.324 1.00 0.00 C ATOM 193 CG ASN A 14 -6.375 -5.178 -5.333 1.00 0.00 C ATOM 194 OD1 ASN A 14 -6.718 -5.067 -4.173 1.00 0.00 O ATOM 195 ND2 ASN A 14 -5.819 -6.287 -5.745 1.00 0.00 N ATOM 0 H ASN A 14 -4.072 -4.441 -6.310 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.800 -2.064 -6.704 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.596 -3.628 -6.213 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.505 -4.402 -7.345 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.674 -7.058 -5.093 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.530 -6.382 -6.719 1.00 0.00 H new ATOM 202 N VAL A 15 -5.900 -1.250 -4.364 1.00 0.00 N ATOM 203 CA VAL A 15 -5.929 -0.744 -2.963 1.00 0.00 C ATOM 204 C VAL A 15 -7.187 -1.247 -2.255 1.00 0.00 C ATOM 205 O VAL A 15 -8.190 -1.521 -2.880 1.00 0.00 O ATOM 206 CB VAL A 15 -5.937 0.782 -2.981 1.00 0.00 C ATOM 207 CG1 VAL A 15 -5.963 1.311 -1.546 1.00 0.00 C ATOM 208 CG2 VAL A 15 -4.679 1.283 -3.687 1.00 0.00 C ATOM 0 H VAL A 15 -6.150 -0.563 -5.076 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.049 -1.105 -2.431 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.821 1.137 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.969 2.401 -1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.859 0.950 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.080 0.960 -1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.680 2.373 -3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.797 0.929 -3.154 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.661 0.906 -4.709 1.00 0.00 H new ATOM 218 N ARG A 16 -7.137 -1.367 -0.948 1.00 0.00 N ATOM 219 CA ARG A 16 -8.326 -1.849 -0.179 1.00 0.00 C ATOM 220 C ARG A 16 -8.633 -0.879 0.962 1.00 0.00 C ATOM 221 O ARG A 16 -7.753 -0.424 1.662 1.00 0.00 O ATOM 222 CB ARG A 16 -8.016 -3.229 0.400 1.00 0.00 C ATOM 223 CG ARG A 16 -7.990 -4.257 -0.732 1.00 0.00 C ATOM 224 CD ARG A 16 -7.548 -5.618 -0.186 1.00 0.00 C ATOM 225 NE ARG A 16 -6.100 -5.559 0.162 1.00 0.00 N ATOM 226 CZ ARG A 16 -5.489 -6.608 0.646 1.00 0.00 C ATOM 227 NH1 ARG A 16 -6.140 -7.725 0.824 1.00 0.00 N ATOM 228 NH2 ARG A 16 -4.220 -6.542 0.937 1.00 0.00 N ATOM 0 H ARG A 16 -6.318 -1.150 -0.380 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.190 -1.907 -0.841 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.055 -3.213 0.914 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.769 -3.504 1.139 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.979 -4.340 -1.183 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.308 -3.930 -1.517 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.136 -5.878 0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.725 -6.396 -0.929 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.581 -4.692 0.021 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.130 -7.782 0.585 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.659 -8.541 1.202 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.707 -5.673 0.787 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.740 -7.359 1.315 1.00 0.00 H new ATOM 242 N GLU A 17 -9.884 -0.569 1.152 1.00 0.00 N ATOM 243 CA GLU A 17 -10.268 0.359 2.249 1.00 0.00 C ATOM 244 C GLU A 17 -10.054 -0.339 3.595 1.00 0.00 C ATOM 245 O GLU A 17 -9.632 0.267 4.562 1.00 0.00 O ATOM 246 CB GLU A 17 -11.750 0.719 2.093 1.00 0.00 C ATOM 247 CG GLU A 17 -12.093 1.942 2.947 1.00 0.00 C ATOM 248 CD GLU A 17 -12.064 1.555 4.426 1.00 0.00 C ATOM 249 OE1 GLU A 17 -12.404 0.423 4.728 1.00 0.00 O ATOM 250 OE2 GLU A 17 -11.700 2.396 5.231 1.00 0.00 O ATOM 0 H GLU A 17 -10.660 -0.921 0.592 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.660 1.263 2.207 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.973 0.924 1.046 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.370 -0.127 2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.380 2.744 2.756 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.079 2.321 2.679 1.00 0.00 H new ATOM 257 N GLY A 18 -10.362 -1.609 3.664 1.00 0.00 N ATOM 258 CA GLY A 18 -10.201 -2.366 4.944 1.00 0.00 C ATOM 259 C GLY A 18 -8.970 -3.271 4.871 1.00 0.00 C ATOM 260 O GLY A 18 -8.263 -3.308 3.884 1.00 0.00 O ATOM 0 H GLY A 18 -10.721 -2.159 2.883 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.101 -1.670 5.777 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.091 -2.965 5.135 1.00 0.00 H new ATOM 264 N ALA A 19 -8.720 -4.012 5.918 1.00 0.00 N ATOM 265 CA ALA A 19 -7.552 -4.938 5.934 1.00 0.00 C ATOM 266 C ALA A 19 -8.025 -6.327 5.497 1.00 0.00 C ATOM 267 O ALA A 19 -7.255 -7.265 5.417 1.00 0.00 O ATOM 268 CB ALA A 19 -7.002 -5.009 7.360 1.00 0.00 C ATOM 0 H ALA A 19 -9.281 -4.015 6.770 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.773 -4.585 5.258 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.146 -5.684 7.387 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.690 -4.015 7.680 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.777 -5.379 8.031 1.00 0.00 H new ATOM 274 N SER A 20 -9.295 -6.465 5.219 1.00 0.00 N ATOM 275 CA SER A 20 -9.828 -7.790 4.794 1.00 0.00 C ATOM 276 C SER A 20 -9.630 -7.976 3.285 1.00 0.00 C ATOM 277 O SER A 20 -9.606 -7.029 2.527 1.00 0.00 O ATOM 278 CB SER A 20 -11.321 -7.863 5.123 1.00 0.00 C ATOM 279 OG SER A 20 -11.481 -8.084 6.519 1.00 0.00 O ATOM 0 H SER A 20 -9.985 -5.716 5.268 1.00 0.00 H new ATOM 0 HA SER A 20 -9.293 -8.578 5.324 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.816 -6.937 4.830 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.791 -8.668 4.559 1.00 0.00 H new ATOM 0 HG SER A 20 -12.436 -8.130 6.736 1.00 0.00 H new ATOM 285 N THR A 21 -9.495 -9.200 2.853 1.00 0.00 N ATOM 286 CA THR A 21 -9.311 -9.472 1.398 1.00 0.00 C ATOM 287 C THR A 21 -10.609 -9.151 0.646 1.00 0.00 C ATOM 288 O THR A 21 -10.597 -8.799 -0.516 1.00 0.00 O ATOM 289 CB THR A 21 -8.958 -10.947 1.211 1.00 0.00 C ATOM 290 OG1 THR A 21 -9.975 -11.745 1.797 1.00 0.00 O ATOM 291 CG2 THR A 21 -7.619 -11.245 1.891 1.00 0.00 C ATOM 0 H THR A 21 -9.504 -10.028 3.448 1.00 0.00 H new ATOM 0 HA THR A 21 -8.508 -8.849 1.004 1.00 0.00 H new ATOM 0 HB THR A 21 -8.879 -11.173 0.148 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.756 -12.693 1.679 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.369 -12.297 1.757 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.839 -10.627 1.446 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.694 -11.023 2.956 1.00 0.00 H new ATOM 299 N SER A 22 -11.729 -9.284 1.302 1.00 0.00 N ATOM 300 CA SER A 22 -13.033 -8.998 0.634 1.00 0.00 C ATOM 301 C SER A 22 -13.337 -7.498 0.739 1.00 0.00 C ATOM 302 O SER A 22 -14.413 -7.045 0.398 1.00 0.00 O ATOM 303 CB SER A 22 -14.134 -9.800 1.329 1.00 0.00 C ATOM 304 OG SER A 22 -14.296 -9.314 2.652 1.00 0.00 O ATOM 0 H SER A 22 -11.799 -9.580 2.276 1.00 0.00 H new ATOM 0 HA SER A 22 -12.985 -9.282 -0.417 1.00 0.00 H new ATOM 0 HB2 SER A 22 -15.070 -9.710 0.778 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.875 -10.859 1.346 1.00 0.00 H new ATOM 0 HG SER A 22 -15.002 -9.823 3.103 1.00 0.00 H new ATOM 310 N SER A 23 -12.399 -6.732 1.222 1.00 0.00 N ATOM 311 CA SER A 23 -12.624 -5.263 1.371 1.00 0.00 C ATOM 312 C SER A 23 -12.868 -4.609 0.005 1.00 0.00 C ATOM 313 O SER A 23 -12.327 -5.018 -1.004 1.00 0.00 O ATOM 314 CB SER A 23 -11.398 -4.636 2.028 1.00 0.00 C ATOM 315 OG SER A 23 -11.463 -3.221 1.896 1.00 0.00 O ATOM 0 H SER A 23 -11.481 -7.060 1.522 1.00 0.00 H new ATOM 0 HA SER A 23 -13.505 -5.101 1.991 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.355 -4.912 3.081 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.488 -5.014 1.562 1.00 0.00 H new ATOM 0 HG SER A 23 -12.259 -2.885 2.359 1.00 0.00 H new ATOM 321 N LYS A 24 -13.694 -3.595 -0.023 1.00 0.00 N ATOM 322 CA LYS A 24 -14.008 -2.901 -1.306 1.00 0.00 C ATOM 323 C LYS A 24 -12.788 -2.134 -1.827 1.00 0.00 C ATOM 324 O LYS A 24 -12.081 -1.480 -1.087 1.00 0.00 O ATOM 325 CB LYS A 24 -15.164 -1.928 -1.078 1.00 0.00 C ATOM 326 CG LYS A 24 -15.582 -1.311 -2.414 1.00 0.00 C ATOM 327 CD LYS A 24 -16.793 -0.398 -2.203 1.00 0.00 C ATOM 328 CE LYS A 24 -17.215 0.202 -3.545 1.00 0.00 C ATOM 329 NZ LYS A 24 -18.392 1.094 -3.344 1.00 0.00 N ATOM 0 H LYS A 24 -14.168 -3.215 0.796 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.286 -3.648 -2.050 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -16.008 -2.449 -0.626 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.863 -1.145 -0.382 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.755 -0.742 -2.838 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.827 -2.097 -3.128 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -17.618 -0.963 -1.769 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.546 0.396 -1.498 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.389 0.765 -3.979 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.464 -0.593 -4.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -18.679 1.502 -4.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -19.181 0.544 -2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -18.139 1.860 -2.687 1.00 0.00 H new ATOM 343 N VAL A 25 -12.547 -2.216 -3.107 1.00 0.00 N ATOM 344 CA VAL A 25 -11.386 -1.502 -3.701 1.00 0.00 C ATOM 345 C VAL A 25 -11.733 -0.027 -3.920 1.00 0.00 C ATOM 346 O VAL A 25 -12.766 0.305 -4.469 1.00 0.00 O ATOM 347 CB VAL A 25 -11.037 -2.150 -5.040 1.00 0.00 C ATOM 348 CG1 VAL A 25 -9.949 -1.335 -5.745 1.00 0.00 C ATOM 349 CG2 VAL A 25 -10.529 -3.570 -4.792 1.00 0.00 C ATOM 0 H VAL A 25 -13.109 -2.751 -3.769 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.535 -1.567 -3.024 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.925 -2.180 -5.671 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.705 -1.802 -6.699 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.309 -0.321 -5.919 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.057 -1.300 -5.119 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.278 -4.038 -5.744 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.641 -3.534 -4.160 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.305 -4.152 -4.295 1.00 0.00 H new ATOM 359 N ILE A 26 -10.868 0.860 -3.495 1.00 0.00 N ATOM 360 CA ILE A 26 -11.119 2.321 -3.676 1.00 0.00 C ATOM 361 C ILE A 26 -10.279 2.830 -4.850 1.00 0.00 C ATOM 362 O ILE A 26 -10.376 3.973 -5.249 1.00 0.00 O ATOM 363 CB ILE A 26 -10.729 3.061 -2.396 1.00 0.00 C ATOM 364 CG1 ILE A 26 -9.313 2.655 -1.975 1.00 0.00 C ATOM 365 CG2 ILE A 26 -11.717 2.697 -1.287 1.00 0.00 C ATOM 366 CD1 ILE A 26 -8.843 3.554 -0.830 1.00 0.00 C ATOM 0 H ILE A 26 -9.991 0.631 -3.026 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.174 2.497 -3.884 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.754 4.136 -2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.301 1.611 -1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.632 2.741 -2.822 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.445 3.221 -0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -12.724 2.988 -1.587 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -11.688 1.622 -1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.836 3.265 -0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.839 4.593 -1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.519 3.446 0.018 1.00 0.00 H new ATOM 378 N GLY A 27 -9.458 1.987 -5.418 1.00 0.00 N ATOM 379 CA GLY A 27 -8.627 2.436 -6.569 1.00 0.00 C ATOM 380 C GLY A 27 -7.455 1.475 -6.773 1.00 0.00 C ATOM 381 O GLY A 27 -7.330 0.478 -6.089 1.00 0.00 O ATOM 0 H GLY A 27 -9.328 1.015 -5.137 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.235 2.478 -7.473 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.254 3.444 -6.388 1.00 0.00 H new ATOM 385 N SER A 28 -6.593 1.770 -7.719 1.00 0.00 N ATOM 386 CA SER A 28 -5.419 0.881 -7.993 1.00 0.00 C ATOM 387 C SER A 28 -4.149 1.724 -8.108 1.00 0.00 C ATOM 388 O SER A 28 -4.201 2.916 -8.347 1.00 0.00 O ATOM 389 CB SER A 28 -5.646 0.133 -9.304 1.00 0.00 C ATOM 390 OG SER A 28 -6.704 -0.801 -9.134 1.00 0.00 O ATOM 0 H SER A 28 -6.654 2.594 -8.317 1.00 0.00 H new ATOM 0 HA SER A 28 -5.308 0.168 -7.176 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.891 0.836 -10.100 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.734 -0.383 -9.604 1.00 0.00 H new ATOM 0 HG SER A 28 -6.854 -1.282 -9.974 1.00 0.00 H new ATOM 396 N LEU A 29 -3.003 1.107 -7.935 1.00 0.00 N ATOM 397 CA LEU A 29 -1.706 1.848 -8.024 1.00 0.00 C ATOM 398 C LEU A 29 -0.843 1.254 -9.138 1.00 0.00 C ATOM 399 O LEU A 29 -0.920 0.082 -9.448 1.00 0.00 O ATOM 400 CB LEU A 29 -0.967 1.719 -6.691 1.00 0.00 C ATOM 401 CG LEU A 29 -1.787 2.389 -5.582 1.00 0.00 C ATOM 402 CD1 LEU A 29 -1.110 2.134 -4.231 1.00 0.00 C ATOM 403 CD2 LEU A 29 -1.892 3.906 -5.835 1.00 0.00 C ATOM 0 H LEU A 29 -2.912 0.111 -7.734 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.902 2.898 -8.244 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.806 0.668 -6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.016 2.184 -6.762 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.792 1.968 -5.576 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.689 2.608 -3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.056 1.061 -4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.103 2.551 -4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.477 4.368 -5.040 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.893 4.342 -5.851 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.380 4.082 -6.793 1.00 0.00 H new ATOM 415 N SER A 30 -0.032 2.072 -9.751 1.00 0.00 N ATOM 416 CA SER A 30 0.835 1.592 -10.862 1.00 0.00 C ATOM 417 C SER A 30 1.997 0.754 -10.320 1.00 0.00 C ATOM 418 O SER A 30 2.333 0.802 -9.153 1.00 0.00 O ATOM 419 CB SER A 30 1.391 2.793 -11.616 1.00 0.00 C ATOM 420 OG SER A 30 0.320 3.491 -12.234 1.00 0.00 O ATOM 0 H SER A 30 0.067 3.062 -9.527 1.00 0.00 H new ATOM 0 HA SER A 30 0.238 0.970 -11.529 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.924 3.453 -10.931 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.109 2.465 -12.367 1.00 0.00 H new ATOM 0 HG SER A 30 0.672 4.266 -12.719 1.00 0.00 H new ATOM 426 N GLY A 31 2.602 -0.024 -11.175 1.00 0.00 N ATOM 427 CA GLY A 31 3.738 -0.892 -10.749 1.00 0.00 C ATOM 428 C GLY A 31 4.927 -0.055 -10.259 1.00 0.00 C ATOM 429 O GLY A 31 5.162 1.049 -10.710 1.00 0.00 O ATOM 0 H GLY A 31 2.355 -0.096 -12.162 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.409 -1.561 -9.953 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.052 -1.519 -11.583 1.00 0.00 H new ATOM 433 N ASN A 32 5.678 -0.596 -9.336 1.00 0.00 N ATOM 434 CA ASN A 32 6.865 0.128 -8.792 1.00 0.00 C ATOM 435 C ASN A 32 6.429 1.479 -8.221 1.00 0.00 C ATOM 436 O ASN A 32 7.163 2.447 -8.264 1.00 0.00 O ATOM 437 CB ASN A 32 7.900 0.345 -9.903 1.00 0.00 C ATOM 438 CG ASN A 32 8.216 -0.993 -10.576 1.00 0.00 C ATOM 439 OD1 ASN A 32 8.282 -2.014 -9.921 1.00 0.00 O ATOM 440 ND2 ASN A 32 8.422 -1.032 -11.864 1.00 0.00 N ATOM 0 H ASN A 32 5.518 -1.519 -8.932 1.00 0.00 H new ATOM 0 HA ASN A 32 7.314 -0.470 -7.999 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.517 1.052 -10.638 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.810 0.779 -9.487 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.638 -1.919 -12.319 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.367 -0.176 -12.415 1.00 0.00 H new ATOM 447 N THR A 33 5.243 1.552 -7.680 1.00 0.00 N ATOM 448 CA THR A 33 4.764 2.842 -7.098 1.00 0.00 C ATOM 449 C THR A 33 5.141 2.913 -5.614 1.00 0.00 C ATOM 450 O THR A 33 4.842 2.023 -4.841 1.00 0.00 O ATOM 451 CB THR A 33 3.243 2.937 -7.254 1.00 0.00 C ATOM 452 OG1 THR A 33 2.926 3.079 -8.632 1.00 0.00 O ATOM 453 CG2 THR A 33 2.715 4.151 -6.484 1.00 0.00 C ATOM 0 H THR A 33 4.584 0.776 -7.615 1.00 0.00 H new ATOM 0 HA THR A 33 5.234 3.674 -7.623 1.00 0.00 H new ATOM 0 HB THR A 33 2.781 2.033 -6.857 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.185 2.265 -9.113 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.633 4.212 -6.599 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.962 4.047 -5.427 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.174 5.058 -6.877 1.00 0.00 H new ATOM 461 N LYS A 34 5.799 3.965 -5.217 1.00 0.00 N ATOM 462 CA LYS A 34 6.205 4.105 -3.791 1.00 0.00 C ATOM 463 C LYS A 34 5.017 4.599 -2.962 1.00 0.00 C ATOM 464 O LYS A 34 4.342 5.538 -3.335 1.00 0.00 O ATOM 465 CB LYS A 34 7.342 5.118 -3.703 1.00 0.00 C ATOM 466 CG LYS A 34 7.864 5.186 -2.264 1.00 0.00 C ATOM 467 CD LYS A 34 9.008 6.206 -2.167 1.00 0.00 C ATOM 468 CE LYS A 34 10.295 5.632 -2.777 1.00 0.00 C ATOM 469 NZ LYS A 34 11.450 6.492 -2.392 1.00 0.00 N ATOM 0 H LYS A 34 6.075 4.738 -5.822 1.00 0.00 H new ATOM 0 HA LYS A 34 6.533 3.140 -3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.148 4.834 -4.379 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.992 6.100 -4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.056 5.468 -1.589 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.215 4.203 -1.949 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.730 7.123 -2.686 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.180 6.470 -1.124 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.454 4.612 -2.426 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.207 5.586 -3.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.272 6.255 -2.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.200 7.492 -2.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.685 6.330 -1.392 1.00 0.00 H new ATOM 483 N VAL A 35 4.763 3.974 -1.835 1.00 0.00 N ATOM 484 CA VAL A 35 3.622 4.399 -0.965 1.00 0.00 C ATOM 485 C VAL A 35 4.135 4.716 0.442 1.00 0.00 C ATOM 486 O VAL A 35 4.889 3.963 1.029 1.00 0.00 O ATOM 487 CB VAL A 35 2.586 3.276 -0.905 1.00 0.00 C ATOM 488 CG1 VAL A 35 1.827 3.227 -2.231 1.00 0.00 C ATOM 489 CG2 VAL A 35 3.288 1.935 -0.675 1.00 0.00 C ATOM 0 H VAL A 35 5.301 3.184 -1.480 1.00 0.00 H new ATOM 0 HA VAL A 35 3.159 5.294 -1.381 1.00 0.00 H new ATOM 0 HB VAL A 35 1.893 3.464 -0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.086 2.428 -2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.326 4.180 -2.399 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.527 3.037 -3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.545 1.138 -0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.981 1.742 -1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.838 1.969 0.266 1.00 0.00 H new ATOM 499 N THR A 36 3.736 5.841 0.974 1.00 0.00 N ATOM 500 CA THR A 36 4.196 6.240 2.332 1.00 0.00 C ATOM 501 C THR A 36 3.380 5.507 3.396 1.00 0.00 C ATOM 502 O THR A 36 2.163 5.517 3.381 1.00 0.00 O ATOM 503 CB THR A 36 4.012 7.748 2.494 1.00 0.00 C ATOM 504 OG1 THR A 36 4.708 8.419 1.453 1.00 0.00 O ATOM 505 CG2 THR A 36 4.562 8.194 3.849 1.00 0.00 C ATOM 0 H THR A 36 3.107 6.504 0.521 1.00 0.00 H new ATOM 0 HA THR A 36 5.247 5.979 2.452 1.00 0.00 H new ATOM 0 HB THR A 36 2.951 7.992 2.442 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.591 9.387 1.552 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.428 9.270 3.960 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.027 7.678 4.646 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.623 7.952 3.908 1.00 0.00 H new ATOM 513 N ILE A 37 4.048 4.869 4.322 1.00 0.00 N ATOM 514 CA ILE A 37 3.336 4.122 5.399 1.00 0.00 C ATOM 515 C ILE A 37 3.246 4.985 6.658 1.00 0.00 C ATOM 516 O ILE A 37 4.243 5.453 7.175 1.00 0.00 O ATOM 517 CB ILE A 37 4.115 2.845 5.715 1.00 0.00 C ATOM 518 CG1 ILE A 37 4.069 1.914 4.501 1.00 0.00 C ATOM 519 CG2 ILE A 37 3.498 2.143 6.928 1.00 0.00 C ATOM 520 CD1 ILE A 37 5.052 0.758 4.694 1.00 0.00 C ATOM 0 H ILE A 37 5.066 4.834 4.378 1.00 0.00 H new ATOM 0 HA ILE A 37 2.329 3.872 5.065 1.00 0.00 H new ATOM 0 HB ILE A 37 5.150 3.099 5.943 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.059 1.526 4.368 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.319 2.469 3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.059 1.234 7.147 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.534 2.808 7.791 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.461 1.886 6.711 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.014 0.099 3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.062 1.154 4.805 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.782 0.196 5.588 1.00 0.00 H new ATOM 532 N VAL A 38 2.048 5.187 7.152 1.00 0.00 N ATOM 533 CA VAL A 38 1.850 6.005 8.385 1.00 0.00 C ATOM 534 C VAL A 38 1.417 5.076 9.523 1.00 0.00 C ATOM 535 O VAL A 38 1.213 5.501 10.643 1.00 0.00 O ATOM 536 CB VAL A 38 0.761 7.053 8.124 1.00 0.00 C ATOM 537 CG1 VAL A 38 1.208 7.976 6.990 1.00 0.00 C ATOM 538 CG2 VAL A 38 -0.542 6.354 7.724 1.00 0.00 C ATOM 0 H VAL A 38 1.190 4.814 6.746 1.00 0.00 H new ATOM 0 HA VAL A 38 2.776 6.512 8.657 1.00 0.00 H new ATOM 0 HB VAL A 38 0.596 7.636 9.030 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.436 8.722 6.802 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.135 8.476 7.272 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.373 7.389 6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.314 7.101 7.539 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.378 5.770 6.818 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.862 5.693 8.529 1.00 0.00 H new ATOM 548 N GLY A 39 1.281 3.803 9.249 1.00 0.00 N ATOM 549 CA GLY A 39 0.865 2.858 10.324 1.00 0.00 C ATOM 550 C GLY A 39 0.889 1.418 9.801 1.00 0.00 C ATOM 551 O GLY A 39 1.177 1.168 8.648 1.00 0.00 O ATOM 0 H GLY A 39 1.439 3.382 8.334 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.533 2.953 11.180 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.137 3.110 10.672 1.00 0.00 H new ATOM 555 N GLU A 40 0.584 0.460 10.647 1.00 0.00 N ATOM 556 CA GLU A 40 0.586 -0.969 10.206 1.00 0.00 C ATOM 557 C GLU A 40 -0.563 -1.715 10.885 1.00 0.00 C ATOM 558 O GLU A 40 -0.999 -1.359 11.962 1.00 0.00 O ATOM 559 CB GLU A 40 1.914 -1.626 10.598 1.00 0.00 C ATOM 560 CG GLU A 40 1.933 -3.074 10.100 1.00 0.00 C ATOM 561 CD GLU A 40 3.284 -3.713 10.419 1.00 0.00 C ATOM 562 OE1 GLU A 40 4.208 -2.979 10.726 1.00 0.00 O ATOM 563 OE2 GLU A 40 3.369 -4.929 10.355 1.00 0.00 O ATOM 0 H GLU A 40 0.334 0.609 11.625 1.00 0.00 H new ATOM 0 HA GLU A 40 0.462 -1.011 9.124 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.748 -1.071 10.168 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.039 -1.601 11.680 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.131 -3.641 10.573 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.752 -3.101 9.025 1.00 0.00 H new ATOM 570 N GLU A 41 -1.049 -2.763 10.269 1.00 0.00 N ATOM 571 CA GLU A 41 -2.160 -3.544 10.882 1.00 0.00 C ATOM 572 C GLU A 41 -2.082 -5.000 10.410 1.00 0.00 C ATOM 573 O GLU A 41 -2.390 -5.320 9.279 1.00 0.00 O ATOM 574 CB GLU A 41 -3.505 -2.939 10.461 1.00 0.00 C ATOM 575 CG GLU A 41 -4.634 -3.489 11.344 1.00 0.00 C ATOM 576 CD GLU A 41 -4.885 -4.956 10.999 1.00 0.00 C ATOM 577 OE1 GLU A 41 -4.711 -5.311 9.846 1.00 0.00 O ATOM 578 OE2 GLU A 41 -5.240 -5.705 11.896 1.00 0.00 O ATOM 0 H GLU A 41 -0.722 -3.110 9.367 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.072 -3.510 11.968 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.465 -1.853 10.544 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.705 -3.172 9.415 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.366 -3.393 12.396 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.544 -2.908 11.192 1.00 0.00 H new ATOM 585 N GLY A 42 -1.686 -5.885 11.287 1.00 0.00 N ATOM 586 CA GLY A 42 -1.598 -7.333 10.931 1.00 0.00 C ATOM 587 C GLY A 42 -0.710 -7.547 9.699 1.00 0.00 C ATOM 588 O GLY A 42 0.350 -6.970 9.565 1.00 0.00 O ATOM 0 H GLY A 42 -1.417 -5.664 12.246 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.196 -7.894 11.775 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.597 -7.724 10.735 1.00 0.00 H new ATOM 592 N ALA A 43 -1.140 -8.399 8.806 1.00 0.00 N ATOM 593 CA ALA A 43 -0.339 -8.683 7.584 1.00 0.00 C ATOM 594 C ALA A 43 -0.651 -7.628 6.526 1.00 0.00 C ATOM 595 O ALA A 43 -0.520 -7.869 5.342 1.00 0.00 O ATOM 596 CB ALA A 43 -0.716 -10.070 7.056 1.00 0.00 C ATOM 0 H ALA A 43 -2.018 -8.913 8.873 1.00 0.00 H new ATOM 0 HA ALA A 43 0.725 -8.657 7.818 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.135 -10.289 6.160 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.504 -10.820 7.818 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.778 -10.090 6.813 1.00 0.00 H new ATOM 602 N PHE A 44 -1.066 -6.458 6.946 1.00 0.00 N ATOM 603 CA PHE A 44 -1.393 -5.372 5.969 1.00 0.00 C ATOM 604 C PHE A 44 -0.722 -4.074 6.410 1.00 0.00 C ATOM 605 O PHE A 44 -0.602 -3.792 7.588 1.00 0.00 O ATOM 606 CB PHE A 44 -2.907 -5.165 5.927 1.00 0.00 C ATOM 607 CG PHE A 44 -3.576 -6.451 5.509 1.00 0.00 C ATOM 608 CD1 PHE A 44 -3.725 -6.755 4.151 1.00 0.00 C ATOM 609 CD2 PHE A 44 -4.043 -7.342 6.482 1.00 0.00 C ATOM 610 CE1 PHE A 44 -4.342 -7.949 3.767 1.00 0.00 C ATOM 611 CE2 PHE A 44 -4.661 -8.536 6.098 1.00 0.00 C ATOM 612 CZ PHE A 44 -4.810 -8.840 4.739 1.00 0.00 C ATOM 0 H PHE A 44 -1.193 -6.207 7.927 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.033 -5.654 4.979 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.270 -4.855 6.907 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.157 -4.368 5.227 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.364 -6.068 3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.926 -7.107 7.530 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.458 -8.184 2.719 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.023 -9.223 6.849 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.286 -9.762 4.441 1.00 0.00 H new ATOM 622 N TYR A 45 -0.291 -3.277 5.466 1.00 0.00 N ATOM 623 CA TYR A 45 0.372 -1.981 5.802 1.00 0.00 C ATOM 624 C TYR A 45 -0.575 -0.828 5.483 1.00 0.00 C ATOM 625 O TYR A 45 -1.265 -0.828 4.481 1.00 0.00 O ATOM 626 CB TYR A 45 1.656 -1.838 4.974 1.00 0.00 C ATOM 627 CG TYR A 45 2.758 -2.660 5.607 1.00 0.00 C ATOM 628 CD1 TYR A 45 3.303 -2.253 6.829 1.00 0.00 C ATOM 629 CD2 TYR A 45 3.233 -3.816 4.978 1.00 0.00 C ATOM 630 CE1 TYR A 45 4.324 -3.000 7.423 1.00 0.00 C ATOM 631 CE2 TYR A 45 4.254 -4.564 5.573 1.00 0.00 C ATOM 632 CZ TYR A 45 4.800 -4.156 6.796 1.00 0.00 C ATOM 633 OH TYR A 45 5.807 -4.894 7.382 1.00 0.00 O ATOM 0 H TYR A 45 -0.371 -3.471 4.468 1.00 0.00 H new ATOM 0 HA TYR A 45 0.620 -1.961 6.863 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.481 -2.171 3.951 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.953 -0.791 4.922 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.935 -1.361 7.314 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.812 -4.130 4.034 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.745 -2.685 8.366 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.621 -5.457 5.089 1.00 0.00 H new ATOM 0 HH TYR A 45 6.018 -5.666 6.816 1.00 0.00 H new ATOM 643 N LYS A 46 -0.612 0.159 6.339 1.00 0.00 N ATOM 644 CA LYS A 46 -1.506 1.326 6.111 1.00 0.00 C ATOM 645 C LYS A 46 -0.730 2.416 5.379 1.00 0.00 C ATOM 646 O LYS A 46 0.362 2.781 5.771 1.00 0.00 O ATOM 647 CB LYS A 46 -1.989 1.859 7.460 1.00 0.00 C ATOM 648 CG LYS A 46 -2.933 3.045 7.240 1.00 0.00 C ATOM 649 CD LYS A 46 -3.461 3.533 8.590 1.00 0.00 C ATOM 650 CE LYS A 46 -4.416 4.706 8.364 1.00 0.00 C ATOM 651 NZ LYS A 46 -4.937 5.183 9.676 1.00 0.00 N ATOM 0 H LYS A 46 -0.055 0.204 7.193 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.364 1.025 5.510 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.503 1.071 8.010 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.137 2.168 8.066 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.407 3.852 6.730 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.763 2.749 6.598 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.977 2.723 9.106 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.633 3.841 9.228 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.899 5.516 7.850 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.242 4.398 7.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.586 5.981 9.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.445 4.409 10.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.144 5.493 10.273 1.00 0.00 H new ATOM 665 N ILE A 47 -1.289 2.941 4.317 1.00 0.00 N ATOM 666 CA ILE A 47 -0.600 4.016 3.542 1.00 0.00 C ATOM 667 C ILE A 47 -1.560 5.175 3.288 1.00 0.00 C ATOM 668 O ILE A 47 -2.763 5.007 3.255 1.00 0.00 O ATOM 669 CB ILE A 47 -0.114 3.445 2.209 1.00 0.00 C ATOM 670 CG1 ILE A 47 -1.292 2.823 1.447 1.00 0.00 C ATOM 671 CG2 ILE A 47 0.948 2.381 2.475 1.00 0.00 C ATOM 672 CD1 ILE A 47 -0.829 2.399 0.051 1.00 0.00 C ATOM 0 H ILE A 47 -2.201 2.668 3.952 1.00 0.00 H new ATOM 0 HA ILE A 47 0.252 4.384 4.114 1.00 0.00 H new ATOM 0 HB ILE A 47 0.314 4.246 1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.677 1.961 1.992 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.108 3.541 1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.298 1.971 1.527 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.787 2.829 3.008 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.519 1.582 3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.665 1.957 -0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.465 3.271 -0.492 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.027 1.666 0.141 1.00 0.00 H new ATOM 684 N GLU A 48 -1.031 6.353 3.107 1.00 0.00 N ATOM 685 CA GLU A 48 -1.903 7.535 2.847 1.00 0.00 C ATOM 686 C GLU A 48 -2.099 7.691 1.338 1.00 0.00 C ATOM 687 O GLU A 48 -1.275 8.263 0.652 1.00 0.00 O ATOM 688 CB GLU A 48 -1.233 8.786 3.415 1.00 0.00 C ATOM 689 CG GLU A 48 -2.136 10.000 3.187 1.00 0.00 C ATOM 690 CD GLU A 48 -1.510 11.233 3.840 1.00 0.00 C ATOM 691 OE1 GLU A 48 -0.352 11.160 4.215 1.00 0.00 O ATOM 692 OE2 GLU A 48 -2.203 12.231 3.958 1.00 0.00 O ATOM 0 H GLU A 48 -0.030 6.550 3.128 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.873 7.396 3.325 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.042 8.657 4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.267 8.943 2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.271 10.170 2.119 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.124 9.815 3.608 1.00 0.00 H new ATOM 699 N TYR A 49 -3.189 7.180 0.817 1.00 0.00 N ATOM 700 CA TYR A 49 -3.457 7.282 -0.651 1.00 0.00 C ATOM 701 C TYR A 49 -4.575 8.297 -0.909 1.00 0.00 C ATOM 702 O TYR A 49 -5.669 8.179 -0.399 1.00 0.00 O ATOM 703 CB TYR A 49 -3.872 5.908 -1.179 1.00 0.00 C ATOM 704 CG TYR A 49 -4.301 6.028 -2.623 1.00 0.00 C ATOM 705 CD1 TYR A 49 -3.346 6.267 -3.618 1.00 0.00 C ATOM 706 CD2 TYR A 49 -5.653 5.910 -2.965 1.00 0.00 C ATOM 707 CE1 TYR A 49 -3.742 6.385 -4.955 1.00 0.00 C ATOM 708 CE2 TYR A 49 -6.050 6.028 -4.302 1.00 0.00 C ATOM 709 CZ TYR A 49 -5.095 6.265 -5.297 1.00 0.00 C ATOM 710 OH TYR A 49 -5.485 6.382 -6.614 1.00 0.00 O ATOM 0 H TYR A 49 -3.909 6.693 1.351 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.555 7.616 -1.164 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.041 5.208 -1.093 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.689 5.508 -0.578 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.303 6.360 -3.354 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.390 5.728 -2.197 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.005 6.568 -5.723 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.093 5.936 -4.566 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.457 6.272 -6.678 1.00 0.00 H new ATOM 720 N LYS A 50 -4.294 9.286 -1.712 1.00 0.00 N ATOM 721 CA LYS A 50 -5.314 10.327 -2.034 1.00 0.00 C ATOM 722 C LYS A 50 -5.916 10.889 -0.738 1.00 0.00 C ATOM 723 O LYS A 50 -7.078 11.247 -0.684 1.00 0.00 O ATOM 724 CB LYS A 50 -6.415 9.718 -2.915 1.00 0.00 C ATOM 725 CG LYS A 50 -7.131 10.830 -3.694 1.00 0.00 C ATOM 726 CD LYS A 50 -8.131 10.211 -4.670 1.00 0.00 C ATOM 727 CE LYS A 50 -8.847 11.325 -5.435 1.00 0.00 C ATOM 728 NZ LYS A 50 -9.819 10.726 -6.391 1.00 0.00 N ATOM 0 H LYS A 50 -3.390 9.420 -2.165 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.838 11.142 -2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.982 8.997 -3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.130 9.176 -2.297 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.647 11.497 -3.004 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.404 11.434 -4.237 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.615 9.550 -5.366 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.855 9.602 -4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.365 11.984 -4.738 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.122 11.936 -5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.306 11.483 -6.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.313 10.114 -7.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.518 10.161 -5.867 1.00 0.00 H new ATOM 742 N GLY A 51 -5.126 10.989 0.295 1.00 0.00 N ATOM 743 CA GLY A 51 -5.636 11.548 1.581 1.00 0.00 C ATOM 744 C GLY A 51 -6.490 10.500 2.294 1.00 0.00 C ATOM 745 O GLY A 51 -6.843 10.652 3.447 1.00 0.00 O ATOM 0 H GLY A 51 -4.146 10.707 0.305 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.801 11.845 2.216 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.226 12.444 1.391 1.00 0.00 H new ATOM 749 N SER A 52 -6.834 9.441 1.615 1.00 0.00 N ATOM 750 CA SER A 52 -7.677 8.384 2.249 1.00 0.00 C ATOM 751 C SER A 52 -6.792 7.309 2.887 1.00 0.00 C ATOM 752 O SER A 52 -5.583 7.318 2.755 1.00 0.00 O ATOM 753 CB SER A 52 -8.563 7.742 1.186 1.00 0.00 C ATOM 754 OG SER A 52 -9.205 6.602 1.739 1.00 0.00 O ATOM 0 H SER A 52 -6.568 9.260 0.647 1.00 0.00 H new ATOM 0 HA SER A 52 -8.294 8.840 3.023 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.306 8.458 0.834 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.964 7.454 0.322 1.00 0.00 H new ATOM 0 HG SER A 52 -9.777 6.187 1.060 1.00 0.00 H new ATOM 760 N HIS A 53 -7.394 6.380 3.585 1.00 0.00 N ATOM 761 CA HIS A 53 -6.609 5.296 4.245 1.00 0.00 C ATOM 762 C HIS A 53 -6.617 4.045 3.363 1.00 0.00 C ATOM 763 O HIS A 53 -7.580 3.303 3.322 1.00 0.00 O ATOM 764 CB HIS A 53 -7.249 4.984 5.596 1.00 0.00 C ATOM 765 CG HIS A 53 -7.063 6.162 6.517 1.00 0.00 C ATOM 766 ND1 HIS A 53 -8.061 6.596 7.374 1.00 0.00 N ATOM 767 CD2 HIS A 53 -5.999 7.009 6.722 1.00 0.00 C ATOM 768 CE1 HIS A 53 -7.581 7.658 8.050 1.00 0.00 C ATOM 769 NE2 HIS A 53 -6.330 7.951 7.690 1.00 0.00 N ATOM 0 H HIS A 53 -8.403 6.327 3.726 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.577 5.616 4.390 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -8.310 4.771 5.468 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.795 4.093 6.030 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.050 6.951 6.209 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.141 8.206 8.793 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -5.743 8.704 8.048 1.00 0.00 H new ATOM 777 N GLY A 54 -5.543 3.813 2.652 1.00 0.00 N ATOM 778 CA GLY A 54 -5.463 2.620 1.759 1.00 0.00 C ATOM 779 C GLY A 54 -4.722 1.493 2.478 1.00 0.00 C ATOM 780 O GLY A 54 -3.719 1.716 3.128 1.00 0.00 O ATOM 0 H GLY A 54 -4.712 4.404 2.653 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.465 2.292 1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.946 2.878 0.835 1.00 0.00 H new ATOM 784 N TYR A 55 -5.205 0.279 2.361 1.00 0.00 N ATOM 785 CA TYR A 55 -4.539 -0.883 3.027 1.00 0.00 C ATOM 786 C TYR A 55 -4.107 -1.899 1.972 1.00 0.00 C ATOM 787 O TYR A 55 -4.838 -2.197 1.047 1.00 0.00 O ATOM 788 CB TYR A 55 -5.527 -1.538 3.991 1.00 0.00 C ATOM 789 CG TYR A 55 -5.835 -0.577 5.112 1.00 0.00 C ATOM 790 CD1 TYR A 55 -6.817 0.405 4.943 1.00 0.00 C ATOM 791 CD2 TYR A 55 -5.131 -0.663 6.318 1.00 0.00 C ATOM 792 CE1 TYR A 55 -7.098 1.299 5.982 1.00 0.00 C ATOM 793 CE2 TYR A 55 -5.412 0.230 7.358 1.00 0.00 C ATOM 794 CZ TYR A 55 -6.396 1.211 7.190 1.00 0.00 C ATOM 795 OH TYR A 55 -6.672 2.093 8.215 1.00 0.00 O ATOM 0 H TYR A 55 -6.041 0.042 1.827 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.662 -0.539 3.575 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.443 -1.808 3.465 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.106 -2.460 4.392 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.358 0.473 4.011 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.370 -1.419 6.446 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.856 2.057 5.852 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.870 0.162 8.290 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.096 1.893 8.982 1.00 0.00 H new ATOM 805 N VAL A 56 -2.920 -2.443 2.105 1.00 0.00 N ATOM 806 CA VAL A 56 -2.435 -3.454 1.114 1.00 0.00 C ATOM 807 C VAL A 56 -1.700 -4.582 1.841 1.00 0.00 C ATOM 808 O VAL A 56 -1.178 -4.408 2.924 1.00 0.00 O ATOM 809 CB VAL A 56 -1.487 -2.785 0.119 1.00 0.00 C ATOM 810 CG1 VAL A 56 -2.278 -1.820 -0.764 1.00 0.00 C ATOM 811 CG2 VAL A 56 -0.404 -2.011 0.875 1.00 0.00 C ATOM 0 H VAL A 56 -2.266 -2.230 2.858 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.290 -3.868 0.579 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.017 -3.549 -0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.604 -1.341 -1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.047 -2.370 -1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.748 -1.059 -0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.269 -1.536 0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.870 -1.247 1.498 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.161 -2.698 1.505 1.00 0.00 H new ATOM 821 N ALA A 57 -1.662 -5.744 1.246 1.00 0.00 N ATOM 822 CA ALA A 57 -0.972 -6.901 1.884 1.00 0.00 C ATOM 823 C ALA A 57 0.550 -6.732 1.804 1.00 0.00 C ATOM 824 O ALA A 57 1.081 -6.188 0.859 1.00 0.00 O ATOM 825 CB ALA A 57 -1.387 -8.187 1.164 1.00 0.00 C ATOM 0 H ALA A 57 -2.083 -5.942 0.338 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.258 -6.952 2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.887 -9.039 1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.467 -8.315 1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.103 -8.124 0.113 1.00 0.00 H new ATOM 831 N LYS A 58 1.248 -7.214 2.798 1.00 0.00 N ATOM 832 CA LYS A 58 2.735 -7.111 2.807 1.00 0.00 C ATOM 833 C LYS A 58 3.319 -7.964 1.673 1.00 0.00 C ATOM 834 O LYS A 58 4.490 -7.885 1.360 1.00 0.00 O ATOM 835 CB LYS A 58 3.255 -7.613 4.159 1.00 0.00 C ATOM 836 CG LYS A 58 2.796 -9.058 4.388 1.00 0.00 C ATOM 837 CD LYS A 58 3.297 -9.542 5.753 1.00 0.00 C ATOM 838 CE LYS A 58 2.833 -10.981 5.995 1.00 0.00 C ATOM 839 NZ LYS A 58 3.347 -11.459 7.312 1.00 0.00 N ATOM 0 H LYS A 58 0.846 -7.679 3.612 1.00 0.00 H new ATOM 0 HA LYS A 58 3.037 -6.074 2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.343 -7.559 4.183 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.887 -6.973 4.961 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.708 -9.117 4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.181 -9.703 3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.385 -9.490 5.791 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.919 -8.891 6.541 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.744 -11.030 5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.193 -11.629 5.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.031 -12.436 7.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.387 -11.427 7.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.983 -10.847 8.070 1.00 0.00 H new ATOM 853 N GLU A 59 2.511 -8.785 1.064 1.00 0.00 N ATOM 854 CA GLU A 59 3.014 -9.649 -0.044 1.00 0.00 C ATOM 855 C GLU A 59 3.392 -8.781 -1.247 1.00 0.00 C ATOM 856 O GLU A 59 4.313 -9.083 -1.979 1.00 0.00 O ATOM 857 CB GLU A 59 1.918 -10.632 -0.452 1.00 0.00 C ATOM 858 CG GLU A 59 2.456 -11.589 -1.518 1.00 0.00 C ATOM 859 CD GLU A 59 1.377 -12.614 -1.879 1.00 0.00 C ATOM 860 OE1 GLU A 59 0.242 -12.417 -1.479 1.00 0.00 O ATOM 861 OE2 GLU A 59 1.706 -13.577 -2.552 1.00 0.00 O ATOM 0 H GLU A 59 1.521 -8.897 1.285 1.00 0.00 H new ATOM 0 HA GLU A 59 3.894 -10.196 0.294 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.578 -11.194 0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.055 -10.090 -0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.753 -11.031 -2.406 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.346 -12.098 -1.148 1.00 0.00 H new ATOM 868 N TYR A 60 2.673 -7.717 -1.470 1.00 0.00 N ATOM 869 CA TYR A 60 2.977 -6.838 -2.636 1.00 0.00 C ATOM 870 C TYR A 60 3.963 -5.750 -2.211 1.00 0.00 C ATOM 871 O TYR A 60 4.305 -4.876 -2.984 1.00 0.00 O ATOM 872 CB TYR A 60 1.681 -6.182 -3.116 1.00 0.00 C ATOM 873 CG TYR A 60 0.680 -7.258 -3.473 1.00 0.00 C ATOM 874 CD1 TYR A 60 0.873 -8.038 -4.618 1.00 0.00 C ATOM 875 CD2 TYR A 60 -0.438 -7.477 -2.657 1.00 0.00 C ATOM 876 CE1 TYR A 60 -0.050 -9.038 -4.947 1.00 0.00 C ATOM 877 CE2 TYR A 60 -1.362 -8.477 -2.988 1.00 0.00 C ATOM 878 CZ TYR A 60 -1.166 -9.257 -4.133 1.00 0.00 C ATOM 879 OH TYR A 60 -2.075 -10.243 -4.459 1.00 0.00 O ATOM 0 H TYR A 60 1.886 -7.417 -0.895 1.00 0.00 H new ATOM 0 HA TYR A 60 3.414 -7.431 -3.439 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.276 -5.536 -2.337 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.878 -5.551 -3.982 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.734 -7.869 -5.248 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.587 -6.875 -1.773 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.100 -9.641 -5.830 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.224 -8.646 -2.360 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.790 -10.263 -3.789 1.00 0.00 H new ATOM 889 N ILE A 61 4.419 -5.791 -0.984 1.00 0.00 N ATOM 890 CA ILE A 61 5.379 -4.752 -0.496 1.00 0.00 C ATOM 891 C ILE A 61 6.790 -5.328 -0.451 1.00 0.00 C ATOM 892 O ILE A 61 7.029 -6.388 0.095 1.00 0.00 O ATOM 893 CB ILE A 61 4.972 -4.297 0.905 1.00 0.00 C ATOM 894 CG1 ILE A 61 3.510 -3.826 0.890 1.00 0.00 C ATOM 895 CG2 ILE A 61 5.881 -3.153 1.355 1.00 0.00 C ATOM 896 CD1 ILE A 61 3.292 -2.755 -0.191 1.00 0.00 C ATOM 0 H ILE A 61 4.167 -6.501 -0.297 1.00 0.00 H new ATOM 0 HA ILE A 61 5.360 -3.901 -1.177 1.00 0.00 H new ATOM 0 HB ILE A 61 5.072 -5.130 1.601 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.852 -4.675 0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.243 -3.423 1.867 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.590 -2.829 2.354 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.916 -3.495 1.371 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.786 -2.318 0.661 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.250 -2.437 -0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.935 -1.898 0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.537 -3.170 -1.169 1.00 0.00 H new ATOM 908 N LYS A 62 7.734 -4.630 -1.028 1.00 0.00 N ATOM 909 CA LYS A 62 9.143 -5.121 -1.032 1.00 0.00 C ATOM 910 C LYS A 62 10.108 -3.936 -0.956 1.00 0.00 C ATOM 911 O LYS A 62 9.788 -2.833 -1.348 1.00 0.00 O ATOM 912 CB LYS A 62 9.401 -5.910 -2.322 1.00 0.00 C ATOM 913 CG LYS A 62 10.850 -6.408 -2.340 1.00 0.00 C ATOM 914 CD LYS A 62 11.079 -7.290 -3.568 1.00 0.00 C ATOM 915 CE LYS A 62 12.523 -7.798 -3.563 1.00 0.00 C ATOM 916 NZ LYS A 62 12.744 -8.676 -4.747 1.00 0.00 N ATOM 0 H LYS A 62 7.588 -3.737 -1.499 1.00 0.00 H new ATOM 0 HA LYS A 62 9.302 -5.766 -0.168 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.715 -6.755 -2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.212 -5.279 -3.190 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.535 -5.561 -2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.062 -6.972 -1.431 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.385 -8.131 -3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.884 -6.724 -4.479 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.216 -6.957 -3.586 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.722 -8.350 -2.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.725 -9.022 -4.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.092 -9.485 -4.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.570 -8.135 -5.618 1.00 0.00 H new ATOM 930 N ASP A 63 11.294 -4.175 -0.453 1.00 0.00 N ATOM 931 CA ASP A 63 12.316 -3.093 -0.338 1.00 0.00 C ATOM 932 C ASP A 63 11.804 -2.008 0.614 1.00 0.00 C ATOM 933 O ASP A 63 11.770 -0.839 0.286 1.00 0.00 O ATOM 934 CB ASP A 63 12.615 -2.503 -1.725 1.00 0.00 C ATOM 935 CG ASP A 63 13.863 -1.621 -1.649 1.00 0.00 C ATOM 936 OD1 ASP A 63 14.329 -1.383 -0.546 1.00 0.00 O ATOM 937 OD2 ASP A 63 14.331 -1.200 -2.694 1.00 0.00 O ATOM 0 H ASP A 63 11.600 -5.087 -0.113 1.00 0.00 H new ATOM 0 HA ASP A 63 13.241 -3.506 0.064 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.767 -3.305 -2.447 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.764 -1.918 -2.074 1.00 0.00 H new ATOM 942 N ILE A 64 11.402 -2.398 1.793 1.00 0.00 N ATOM 943 CA ILE A 64 10.888 -1.403 2.771 1.00 0.00 C ATOM 944 C ILE A 64 12.057 -0.665 3.414 1.00 0.00 C ATOM 945 O ILE A 64 12.940 -1.265 3.999 1.00 0.00 O ATOM 946 CB ILE A 64 10.087 -2.126 3.855 1.00 0.00 C ATOM 947 CG1 ILE A 64 8.869 -2.789 3.214 1.00 0.00 C ATOM 948 CG2 ILE A 64 9.626 -1.119 4.913 1.00 0.00 C ATOM 949 CD1 ILE A 64 8.198 -3.726 4.219 1.00 0.00 C ATOM 0 H ILE A 64 11.408 -3.364 2.120 1.00 0.00 H new ATOM 0 HA ILE A 64 10.247 -0.687 2.256 1.00 0.00 H new ATOM 0 HB ILE A 64 10.711 -2.882 4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 64 8.161 -2.028 2.884 1.00 0.00 H new ATOM 0 HG13 ILE A 64 9.172 -3.348 2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 64 9.056 -1.637 5.684 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.496 -0.641 5.364 1.00 0.00 H new ATOM 0 HG23 ILE A 64 8.998 -0.361 4.445 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.330 -4.195 3.756 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.906 -4.496 4.527 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.879 -3.156 5.091 1.00 0.00 H new ATOM 961 N LYS A 65 12.070 0.639 3.316 1.00 0.00 N ATOM 962 CA LYS A 65 13.181 1.428 3.927 1.00 0.00 C ATOM 963 C LYS A 65 12.623 2.701 4.558 1.00 0.00 C ATOM 964 O LYS A 65 11.709 3.317 4.046 1.00 0.00 O ATOM 965 CB LYS A 65 14.203 1.800 2.850 1.00 0.00 C ATOM 966 CG LYS A 65 15.488 2.339 3.506 1.00 0.00 C ATOM 967 CD LYS A 65 16.416 1.177 3.894 1.00 0.00 C ATOM 968 CE LYS A 65 17.722 1.738 4.453 1.00 0.00 C ATOM 969 NZ LYS A 65 18.479 2.400 3.355 1.00 0.00 N ATOM 0 H LYS A 65 11.358 1.192 2.839 1.00 0.00 H new ATOM 0 HA LYS A 65 13.666 0.826 4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.435 0.927 2.240 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.783 2.552 2.183 1.00 0.00 H new ATOM 0 HG2 LYS A 65 16.002 3.010 2.818 1.00 0.00 H new ATOM 0 HG3 LYS A 65 15.235 2.923 4.391 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.932 0.543 4.637 1.00 0.00 H new ATOM 0 HD3 LYS A 65 16.618 0.552 3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.514 2.452 5.250 1.00 0.00 H new ATOM 0 HE3 LYS A 65 18.318 0.937 4.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 19.484 2.465 3.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 18.383 1.843 2.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 18.099 3.356 3.199 1.00 0.00 H new ATOM 983 N ASP A 66 13.166 3.095 5.679 1.00 0.00 N ATOM 984 CA ASP A 66 12.672 4.321 6.364 1.00 0.00 C ATOM 985 C ASP A 66 13.356 5.565 5.786 1.00 0.00 C ATOM 986 O ASP A 66 14.557 5.721 5.868 1.00 0.00 O ATOM 987 CB ASP A 66 12.982 4.219 7.857 1.00 0.00 C ATOM 988 CG ASP A 66 12.475 2.879 8.391 1.00 0.00 C ATOM 989 OD1 ASP A 66 12.127 2.035 7.581 1.00 0.00 O ATOM 990 OD2 ASP A 66 12.449 2.715 9.599 1.00 0.00 O ATOM 0 H ASP A 66 13.934 2.617 6.150 1.00 0.00 H new ATOM 0 HA ASP A 66 11.596 4.407 6.211 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.056 4.306 8.023 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.508 5.040 8.395 1.00 0.00 H new ATOM 995 N GLU A 67 12.590 6.459 5.211 1.00 0.00 N ATOM 996 CA GLU A 67 13.178 7.705 4.636 1.00 0.00 C ATOM 997 C GLU A 67 13.086 8.819 5.681 1.00 0.00 C ATOM 998 O GLU A 67 13.730 9.844 5.579 1.00 0.00 O ATOM 999 CB GLU A 67 12.383 8.099 3.389 1.00 0.00 C ATOM 1000 CG GLU A 67 12.625 7.067 2.283 1.00 0.00 C ATOM 1001 CD GLU A 67 11.768 7.411 1.064 1.00 0.00 C ATOM 1002 OE1 GLU A 67 11.061 8.403 1.122 1.00 0.00 O ATOM 1003 OE2 GLU A 67 11.833 6.675 0.093 1.00 0.00 O ATOM 0 H GLU A 67 11.578 6.377 5.116 1.00 0.00 H new ATOM 0 HA GLU A 67 14.221 7.543 4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.320 8.153 3.624 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.686 9.090 3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.679 7.055 2.007 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.379 6.068 2.643 1.00 0.00 H new ATOM 1010 N VAL A 68 12.299 8.607 6.695 1.00 0.00 N ATOM 1011 CA VAL A 68 12.153 9.627 7.774 1.00 0.00 C ATOM 1012 C VAL A 68 11.814 11.001 7.185 1.00 0.00 C ATOM 1013 O VAL A 68 11.863 11.217 5.990 1.00 0.00 O ATOM 1014 CB VAL A 68 13.455 9.717 8.578 1.00 0.00 C ATOM 1015 CG1 VAL A 68 13.277 10.693 9.754 1.00 0.00 C ATOM 1016 CG2 VAL A 68 13.805 8.329 9.117 1.00 0.00 C ATOM 0 H VAL A 68 11.743 7.762 6.826 1.00 0.00 H new ATOM 0 HA VAL A 68 11.337 9.322 8.429 1.00 0.00 H new ATOM 0 HB VAL A 68 14.256 10.078 7.933 1.00 0.00 H new ATOM 0 HG11 VAL A 68 14.206 10.752 10.321 1.00 0.00 H new ATOM 0 HG12 VAL A 68 13.022 11.681 9.371 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.477 10.338 10.404 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.730 8.384 9.690 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.000 7.975 9.761 1.00 0.00 H new ATOM 0 HG23 VAL A 68 13.935 7.637 8.284 1.00 0.00 H new ATOM 1026 N LEU A 69 11.449 11.929 8.030 1.00 0.00 N ATOM 1027 CA LEU A 69 11.083 13.287 7.544 1.00 0.00 C ATOM 1028 C LEU A 69 12.329 13.998 7.004 1.00 0.00 C ATOM 1029 O LEU A 69 13.168 14.459 7.752 1.00 0.00 O ATOM 1030 CB LEU A 69 10.486 14.087 8.707 1.00 0.00 C ATOM 1031 CG LEU A 69 9.664 15.266 8.168 1.00 0.00 C ATOM 1032 CD1 LEU A 69 8.956 15.967 9.332 1.00 0.00 C ATOM 1033 CD2 LEU A 69 10.580 16.264 7.440 1.00 0.00 C ATOM 0 H LEU A 69 11.389 11.802 9.040 1.00 0.00 H new ATOM 0 HA LEU A 69 10.350 13.207 6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.854 13.441 9.316 1.00 0.00 H new ATOM 0 HB3 LEU A 69 11.283 14.454 9.353 1.00 0.00 H new ATOM 0 HG LEU A 69 8.923 14.891 7.462 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.372 16.805 8.951 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.294 15.261 9.833 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.698 16.335 10.041 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.985 17.095 7.062 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.331 16.641 8.134 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.074 15.764 6.607 1.00 0.00 H new ATOM 1045 N GLU A 70 12.438 14.096 5.701 1.00 0.00 N ATOM 1046 CA GLU A 70 13.612 14.780 5.075 1.00 0.00 C ATOM 1047 C GLU A 70 14.900 14.424 5.822 1.00 0.00 C ATOM 1048 O GLU A 70 15.338 15.130 6.710 1.00 0.00 O ATOM 1049 CB GLU A 70 13.387 16.295 5.089 1.00 0.00 C ATOM 1050 CG GLU A 70 12.324 16.654 4.048 1.00 0.00 C ATOM 1051 CD GLU A 70 11.984 18.141 4.151 1.00 0.00 C ATOM 1052 OE1 GLU A 70 12.619 18.819 4.942 1.00 0.00 O ATOM 1053 OE2 GLU A 70 11.092 18.575 3.442 1.00 0.00 O ATOM 0 H GLU A 70 11.756 13.727 5.038 1.00 0.00 H new ATOM 0 HA GLU A 70 13.714 14.443 4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.067 16.618 6.080 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.319 16.815 4.869 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.689 16.423 3.047 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.428 16.054 4.207 1.00 0.00 H new ATOM 1060 N HIS A 71 15.505 13.323 5.466 1.00 0.00 N ATOM 1061 CA HIS A 71 16.762 12.899 6.146 1.00 0.00 C ATOM 1062 C HIS A 71 17.971 13.470 5.408 1.00 0.00 C ATOM 1063 O HIS A 71 17.877 13.910 4.278 1.00 0.00 O ATOM 1064 CB HIS A 71 16.845 11.372 6.149 1.00 0.00 C ATOM 1065 CG HIS A 71 16.887 10.859 4.734 1.00 0.00 C ATOM 1066 ND1 HIS A 71 16.435 11.606 3.655 1.00 0.00 N ATOM 1067 CD2 HIS A 71 17.321 9.668 4.206 1.00 0.00 C ATOM 1068 CE1 HIS A 71 16.607 10.862 2.545 1.00 0.00 C ATOM 1069 NE2 HIS A 71 17.144 9.672 2.825 1.00 0.00 N ATOM 0 H HIS A 71 15.181 12.696 4.730 1.00 0.00 H new ATOM 0 HA HIS A 71 16.759 13.271 7.171 1.00 0.00 H new ATOM 0 HB2 HIS A 71 17.735 11.048 6.689 1.00 0.00 H new ATOM 0 HB3 HIS A 71 15.985 10.953 6.672 1.00 0.00 H new ATOM 0 HD2 HIS A 71 17.737 8.851 4.776 1.00 0.00 H new ATOM 0 HE1 HIS A 71 16.343 11.188 1.550 1.00 0.00 H new ATOM 0 HE2 HIS A 71 17.375 8.926 2.168 1.00 0.00 H new ATOM 1077 N HIS A 72 19.116 13.458 6.037 1.00 0.00 N ATOM 1078 CA HIS A 72 20.342 13.988 5.376 1.00 0.00 C ATOM 1079 C HIS A 72 21.553 13.184 5.851 1.00 0.00 C ATOM 1080 O HIS A 72 21.721 12.936 7.029 1.00 0.00 O ATOM 1081 CB HIS A 72 20.522 15.466 5.741 1.00 0.00 C ATOM 1082 CG HIS A 72 20.235 15.675 7.206 1.00 0.00 C ATOM 1083 ND1 HIS A 72 21.205 16.114 8.093 1.00 0.00 N ATOM 1084 CD2 HIS A 72 19.087 15.529 7.947 1.00 0.00 C ATOM 1085 CE1 HIS A 72 20.630 16.220 9.304 1.00 0.00 C ATOM 1086 NE2 HIS A 72 19.340 15.875 9.272 1.00 0.00 N ATOM 0 H HIS A 72 19.254 13.103 6.983 1.00 0.00 H new ATOM 0 HA HIS A 72 20.248 13.898 4.294 1.00 0.00 H new ATOM 0 HB2 HIS A 72 21.539 15.784 5.512 1.00 0.00 H new ATOM 0 HB3 HIS A 72 19.853 16.081 5.140 1.00 0.00 H new ATOM 0 HD2 HIS A 72 18.135 15.197 7.561 1.00 0.00 H new ATOM 0 HE1 HIS A 72 21.148 16.545 10.194 1.00 0.00 H new ATOM 0 HE2 HIS A 72 18.682 15.867 10.051 1.00 0.00 H new ATOM 1094 N HIS A 73 22.402 12.769 4.934 1.00 0.00 N ATOM 1095 CA HIS A 73 23.613 11.973 5.313 1.00 0.00 C ATOM 1096 C HIS A 73 24.874 12.799 5.050 1.00 0.00 C ATOM 1097 O HIS A 73 25.252 13.037 3.920 1.00 0.00 O ATOM 1098 CB HIS A 73 23.648 10.692 4.478 1.00 0.00 C ATOM 1099 CG HIS A 73 22.448 9.849 4.815 1.00 0.00 C ATOM 1100 ND1 HIS A 73 22.256 9.308 6.078 1.00 0.00 N ATOM 1101 CD2 HIS A 73 21.368 9.447 4.068 1.00 0.00 C ATOM 1102 CE1 HIS A 73 21.102 8.619 6.053 1.00 0.00 C ATOM 1103 NE2 HIS A 73 20.520 8.671 4.852 1.00 0.00 N ATOM 0 H HIS A 73 22.305 12.950 3.935 1.00 0.00 H new ATOM 0 HA HIS A 73 23.571 11.718 6.372 1.00 0.00 H new ATOM 0 HB2 HIS A 73 23.649 10.936 3.416 1.00 0.00 H new ATOM 0 HB3 HIS A 73 24.565 10.138 4.679 1.00 0.00 H new ATOM 0 HD2 HIS A 73 21.202 9.695 3.030 1.00 0.00 H new ATOM 0 HE1 HIS A 73 20.695 8.088 6.901 1.00 0.00 H new ATOM 0 HE2 HIS A 73 19.642 8.235 4.570 1.00 0.00 H new ATOM 1111 N HIS A 74 25.522 13.237 6.095 1.00 0.00 N ATOM 1112 CA HIS A 74 26.761 14.055 5.934 1.00 0.00 C ATOM 1113 C HIS A 74 26.477 15.251 5.019 1.00 0.00 C ATOM 1114 O HIS A 74 27.369 15.995 4.658 1.00 0.00 O ATOM 1115 CB HIS A 74 27.873 13.196 5.332 1.00 0.00 C ATOM 1116 CG HIS A 74 29.158 13.980 5.319 1.00 0.00 C ATOM 1117 ND1 HIS A 74 29.505 14.815 4.268 1.00 0.00 N ATOM 1118 CD2 HIS A 74 30.185 14.069 6.224 1.00 0.00 C ATOM 1119 CE1 HIS A 74 30.696 15.364 4.564 1.00 0.00 C ATOM 1120 NE2 HIS A 74 31.155 14.943 5.746 1.00 0.00 N ATOM 0 H HIS A 74 25.245 13.063 7.061 1.00 0.00 H new ATOM 0 HA HIS A 74 27.079 14.419 6.911 1.00 0.00 H new ATOM 0 HB2 HIS A 74 27.997 12.282 5.913 1.00 0.00 H new ATOM 0 HB3 HIS A 74 27.607 12.895 4.319 1.00 0.00 H new ATOM 0 HD1 HIS A 74 28.957 14.982 3.424 1.00 0.00 H new ATOM 0 HD2 HIS A 74 30.233 13.541 7.165 1.00 0.00 H new ATOM 0 HE1 HIS A 74 31.218 16.060 3.924 1.00 0.00 H new ATOM 1128 N HIS A 75 25.243 15.441 4.641 1.00 0.00 N ATOM 1129 CA HIS A 75 24.902 16.587 3.750 1.00 0.00 C ATOM 1130 C HIS A 75 24.560 17.819 4.598 1.00 0.00 C ATOM 1131 O HIS A 75 23.853 17.736 5.582 1.00 0.00 O ATOM 1132 CB HIS A 75 23.706 16.211 2.879 1.00 0.00 C ATOM 1133 CG HIS A 75 23.309 17.396 2.048 1.00 0.00 C ATOM 1134 ND1 HIS A 75 24.137 17.918 1.067 1.00 0.00 N ATOM 1135 CD2 HIS A 75 22.178 18.174 2.038 1.00 0.00 C ATOM 1136 CE1 HIS A 75 23.501 18.965 0.514 1.00 0.00 C ATOM 1137 NE2 HIS A 75 22.300 19.166 1.069 1.00 0.00 N ATOM 0 H HIS A 75 24.455 14.852 4.911 1.00 0.00 H new ATOM 0 HA HIS A 75 25.756 16.820 3.114 1.00 0.00 H new ATOM 0 HB2 HIS A 75 23.960 15.369 2.235 1.00 0.00 H new ATOM 0 HB3 HIS A 75 22.871 15.894 3.504 1.00 0.00 H new ATOM 0 HD2 HIS A 75 21.323 18.037 2.684 1.00 0.00 H new ATOM 0 HE1 HIS A 75 23.910 19.570 -0.282 1.00 0.00 H new ATOM 0 HE2 HIS A 75 21.621 19.890 0.833 1.00 0.00 H new ATOM 1145 N HIS A 76 25.070 18.958 4.222 1.00 0.00 N ATOM 1146 CA HIS A 76 24.796 20.204 4.993 1.00 0.00 C ATOM 1147 C HIS A 76 23.287 20.465 5.056 1.00 0.00 C ATOM 1148 O HIS A 76 22.772 21.073 4.134 1.00 0.00 O ATOM 1149 CB HIS A 76 25.485 21.373 4.293 1.00 0.00 C ATOM 1150 CG HIS A 76 25.214 22.645 5.042 1.00 0.00 C ATOM 1151 ND1 HIS A 76 25.781 22.907 6.277 1.00 0.00 N ATOM 1152 CD2 HIS A 76 24.442 23.740 4.741 1.00 0.00 C ATOM 1153 CE1 HIS A 76 25.347 24.117 6.673 1.00 0.00 C ATOM 1154 NE2 HIS A 76 24.528 24.669 5.774 1.00 0.00 N ATOM 1155 OXT HIS A 76 22.674 20.058 6.032 1.00 0.00 O ATOM 0 H HIS A 76 25.670 19.081 3.407 1.00 0.00 H new ATOM 0 HA HIS A 76 25.176 20.095 6.009 1.00 0.00 H new ATOM 0 HB2 HIS A 76 26.559 21.194 4.238 1.00 0.00 H new ATOM 0 HB3 HIS A 76 25.124 21.459 3.268 1.00 0.00 H new ATOM 0 HD2 HIS A 76 23.858 23.862 3.841 1.00 0.00 H new ATOM 0 HE1 HIS A 76 25.627 24.585 7.605 1.00 0.00 H new ATOM 0 HE2 HIS A 76 24.065 25.576 5.832 1.00 0.00 H new TER 1163 HIS A 76