USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 471 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 55 HIS : no HD1:sc= -0.222 K(o=-0.23,f=-1.1) USER MOD Set 1.2: A 59 MET CE :methyl -168:sc=-0.00461 (180deg=-0.184) USER MOD Set 2.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 37 ASN : amide:sc= 0.72 K(o=0.72,f=0.12) USER MOD Single : A 1 TRP N :NH3+ 150:sc= 0.0825 (180deg=0.00622) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -124:sc= 0 (180deg=-0.278) USER MOD Single : A 8 THR OG1 : rot 67:sc= 0.948 USER MOD Single : A 10 LYS NZ :NH3+ -122:sc= -0.536 (180deg=-0.72) USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= 0.574 (180deg=0.326) USER MOD Single : A 16 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.011) USER MOD Single : A 19 ASN : amide:sc= 0.217 X(o=0.22,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -153:sc= 0 (180deg=-0.102) USER MOD Single : A 29 SER OG : rot -46:sc= 0.343 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.516 K(o=-0.52,f=-2.2) USER MOD Single : A 35 CYS SG : rot -24:sc= -3.62! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 1:sc= 0.401 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.272 F(o=-2.4!,f=-0.27) USER MOD Single : A 54 GLN : amide:sc= -0.553 K(o=-0.55,f=-5!) USER MOD Single : A 56 LYS NZ :NH3+ -141:sc= 0.853 (180deg=0.0336) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 1.321 2.400 -1.164 1.00 0.00 N ATOM 2 CA TRP A 1 2.468 1.736 -1.820 1.00 0.00 C ATOM 3 C TRP A 1 2.236 0.212 -1.876 1.00 0.00 C ATOM 4 O TRP A 1 2.464 -0.499 -0.887 1.00 0.00 O ATOM 5 CB TRP A 1 3.803 2.064 -1.086 1.00 0.00 C ATOM 6 CG TRP A 1 4.190 3.527 -1.110 1.00 0.00 C ATOM 7 CD1 TRP A 1 4.003 4.452 -0.118 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.848 4.223 -2.179 1.00 0.00 C ATOM 9 NE1 TRP A 1 4.477 5.673 -0.515 1.00 0.00 N ATOM 10 CE2 TRP A 1 5.000 5.556 -1.775 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.308 3.847 -3.446 1.00 0.00 C ATOM 12 CZ2 TRP A 1 5.604 6.515 -2.582 1.00 0.00 C ATOM 13 CZ3 TRP A 1 5.912 4.799 -4.245 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.046 6.122 -3.813 1.00 0.00 C ATOM 0 H1 TRP A 1 1.648 3.260 -0.680 1.00 0.00 H new ATOM 0 H2 TRP A 1 0.611 2.655 -1.880 1.00 0.00 H new ATOM 0 H3 TRP A 1 0.896 1.753 -0.470 1.00 0.00 H new ATOM 0 HA TRP A 1 2.548 2.117 -2.838 1.00 0.00 H new ATOM 0 HB2 TRP A 1 3.721 1.740 -0.049 1.00 0.00 H new ATOM 0 HB3 TRP A 1 4.605 1.482 -1.540 1.00 0.00 H new ATOM 0 HD1 TRP A 1 3.547 4.248 0.840 1.00 0.00 H new ATOM 0 HE1 TRP A 1 4.446 6.530 0.037 1.00 0.00 H new ATOM 0 HE3 TRP A 1 5.193 2.831 -3.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 5.719 7.535 -2.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 6.286 4.517 -5.218 1.00 0.00 H new ATOM 0 HH2 TRP A 1 6.508 6.848 -4.466 1.00 0.00 H new ATOM 25 N THR A 2 1.722 -0.268 -3.021 1.00 0.00 N ATOM 26 CA THR A 2 1.604 -1.707 -3.329 1.00 0.00 C ATOM 27 C THR A 2 2.943 -2.191 -3.955 1.00 0.00 C ATOM 28 O THR A 2 3.767 -1.365 -4.356 1.00 0.00 O ATOM 29 CB THR A 2 0.394 -1.946 -4.302 1.00 0.00 C ATOM 30 OG1 THR A 2 -0.740 -1.187 -3.853 1.00 0.00 O ATOM 31 CG2 THR A 2 -0.027 -3.422 -4.393 1.00 0.00 C ATOM 0 H THR A 2 1.373 0.335 -3.766 1.00 0.00 H new ATOM 0 HA THR A 2 1.413 -2.278 -2.421 1.00 0.00 H new ATOM 0 HB THR A 2 0.726 -1.629 -5.291 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.494 -1.335 -4.461 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.867 -3.519 -5.081 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.810 -4.017 -4.757 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.323 -3.777 -3.406 1.00 0.00 H new ATOM 39 N GLU A 3 3.152 -3.517 -4.051 1.00 0.00 N ATOM 40 CA GLU A 3 4.459 -4.119 -4.419 1.00 0.00 C ATOM 41 C GLU A 3 4.986 -3.727 -5.826 1.00 0.00 C ATOM 42 O GLU A 3 6.193 -3.868 -6.079 1.00 0.00 O ATOM 43 CB GLU A 3 4.399 -5.654 -4.253 1.00 0.00 C ATOM 44 CG GLU A 3 4.292 -6.123 -2.785 1.00 0.00 C ATOM 45 CD GLU A 3 4.186 -7.647 -2.630 1.00 0.00 C ATOM 46 OE1 GLU A 3 5.080 -8.373 -3.137 1.00 0.00 O ATOM 47 OE2 GLU A 3 3.209 -8.129 -2.010 1.00 0.00 O ATOM 0 H GLU A 3 2.422 -4.207 -3.876 1.00 0.00 H new ATOM 0 HA GLU A 3 5.187 -3.697 -3.726 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.543 -6.036 -4.809 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.291 -6.093 -4.700 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.165 -5.771 -2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.419 -5.658 -2.327 1.00 0.00 H new ATOM 54 N GLU A 4 4.102 -3.255 -6.732 1.00 0.00 N ATOM 55 CA GLU A 4 4.516 -2.764 -8.073 1.00 0.00 C ATOM 56 C GLU A 4 5.377 -1.492 -7.942 1.00 0.00 C ATOM 57 O GLU A 4 6.511 -1.437 -8.436 1.00 0.00 O ATOM 58 CB GLU A 4 3.282 -2.480 -8.973 1.00 0.00 C ATOM 59 CG GLU A 4 2.375 -3.699 -9.242 1.00 0.00 C ATOM 60 CD GLU A 4 3.090 -4.876 -9.939 1.00 0.00 C ATOM 61 OE1 GLU A 4 3.258 -4.831 -11.173 1.00 0.00 O ATOM 62 OE2 GLU A 4 3.479 -5.848 -9.255 1.00 0.00 O ATOM 0 H GLU A 4 3.097 -3.202 -6.563 1.00 0.00 H new ATOM 0 HA GLU A 4 5.110 -3.547 -8.544 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.684 -1.697 -8.507 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.631 -2.088 -9.928 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.963 -4.048 -8.295 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.533 -3.383 -9.858 1.00 0.00 H new ATOM 69 N GLU A 5 4.827 -0.488 -7.242 1.00 0.00 N ATOM 70 CA GLU A 5 5.487 0.815 -7.030 1.00 0.00 C ATOM 71 C GLU A 5 6.602 0.703 -5.969 1.00 0.00 C ATOM 72 O GLU A 5 7.562 1.479 -6.007 1.00 0.00 O ATOM 73 CB GLU A 5 4.464 1.944 -6.686 1.00 0.00 C ATOM 74 CG GLU A 5 3.456 1.631 -5.544 1.00 0.00 C ATOM 75 CD GLU A 5 2.080 1.105 -6.024 1.00 0.00 C ATOM 76 OE1 GLU A 5 2.015 0.019 -6.635 1.00 0.00 O ATOM 77 OE2 GLU A 5 1.055 1.759 -5.750 1.00 0.00 O ATOM 0 H GLU A 5 3.908 -0.555 -6.804 1.00 0.00 H new ATOM 0 HA GLU A 5 5.955 1.102 -7.972 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.021 2.841 -6.415 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.898 2.180 -7.587 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.900 0.892 -4.878 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.300 2.536 -4.957 1.00 0.00 H new ATOM 84 N MET A 6 6.453 -0.251 -5.015 1.00 0.00 N ATOM 85 CA MET A 6 7.559 -0.665 -4.107 1.00 0.00 C ATOM 86 C MET A 6 8.778 -1.099 -4.942 1.00 0.00 C ATOM 87 O MET A 6 9.905 -0.677 -4.685 1.00 0.00 O ATOM 88 CB MET A 6 7.144 -1.858 -3.199 1.00 0.00 C ATOM 89 CG MET A 6 6.126 -1.557 -2.092 1.00 0.00 C ATOM 90 SD MET A 6 6.846 -0.679 -0.697 1.00 0.00 S ATOM 91 CE MET A 6 5.541 -0.852 0.520 1.00 0.00 C ATOM 0 H MET A 6 5.578 -0.750 -4.853 1.00 0.00 H new ATOM 0 HA MET A 6 7.801 0.191 -3.476 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.734 -2.643 -3.834 1.00 0.00 H new ATOM 0 HB3 MET A 6 8.044 -2.261 -2.734 1.00 0.00 H new ATOM 0 HG2 MET A 6 5.311 -0.964 -2.507 1.00 0.00 H new ATOM 0 HG3 MET A 6 5.692 -2.493 -1.741 1.00 0.00 H new ATOM 0 HE1 MET A 6 5.238 0.134 0.871 1.00 0.00 H new ATOM 0 HE2 MET A 6 4.686 -1.355 0.068 1.00 0.00 H new ATOM 0 HE3 MET A 6 5.904 -1.441 1.362 1.00 0.00 H new ATOM 101 N GLY A 7 8.493 -1.941 -5.954 1.00 0.00 N ATOM 102 CA GLY A 7 9.504 -2.483 -6.862 1.00 0.00 C ATOM 103 C GLY A 7 10.122 -1.436 -7.780 1.00 0.00 C ATOM 104 O GLY A 7 11.320 -1.499 -8.073 1.00 0.00 O ATOM 0 H GLY A 7 7.547 -2.262 -6.160 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.294 -2.951 -6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.052 -3.266 -7.470 1.00 0.00 H new ATOM 108 N THR A 8 9.296 -0.477 -8.238 1.00 0.00 N ATOM 109 CA THR A 8 9.733 0.597 -9.155 1.00 0.00 C ATOM 110 C THR A 8 10.641 1.607 -8.420 1.00 0.00 C ATOM 111 O THR A 8 11.622 2.096 -8.987 1.00 0.00 O ATOM 112 CB THR A 8 8.508 1.340 -9.794 1.00 0.00 C ATOM 113 OG1 THR A 8 7.576 0.378 -10.314 1.00 0.00 O ATOM 114 CG2 THR A 8 8.925 2.288 -10.942 1.00 0.00 C ATOM 0 H THR A 8 8.309 -0.423 -7.985 1.00 0.00 H new ATOM 0 HA THR A 8 10.303 0.129 -9.958 1.00 0.00 H new ATOM 0 HB THR A 8 8.053 1.940 -9.005 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.183 -0.130 -9.574 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.040 2.777 -11.350 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.613 3.042 -10.559 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.416 1.714 -11.728 1.00 0.00 H new ATOM 122 N ALA A 9 10.301 1.895 -7.149 1.00 0.00 N ATOM 123 CA ALA A 9 11.078 2.821 -6.295 1.00 0.00 C ATOM 124 C ALA A 9 12.364 2.146 -5.804 1.00 0.00 C ATOM 125 O ALA A 9 13.395 2.796 -5.680 1.00 0.00 O ATOM 126 CB ALA A 9 10.218 3.312 -5.123 1.00 0.00 C ATOM 0 H ALA A 9 9.485 1.496 -6.685 1.00 0.00 H new ATOM 0 HA ALA A 9 11.366 3.691 -6.886 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.802 3.992 -4.503 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.342 3.834 -5.508 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.898 2.459 -4.524 1.00 0.00 H new ATOM 132 N LYS A 10 12.274 0.831 -5.544 1.00 0.00 N ATOM 133 CA LYS A 10 13.439 -0.025 -5.221 1.00 0.00 C ATOM 134 C LYS A 10 14.438 -0.042 -6.400 1.00 0.00 C ATOM 135 O LYS A 10 15.659 0.027 -6.202 1.00 0.00 O ATOM 136 CB LYS A 10 12.960 -1.476 -4.891 1.00 0.00 C ATOM 137 CG LYS A 10 14.088 -2.558 -4.801 1.00 0.00 C ATOM 138 CD LYS A 10 13.871 -3.747 -5.778 1.00 0.00 C ATOM 139 CE LYS A 10 15.140 -4.588 -5.982 1.00 0.00 C ATOM 140 NZ LYS A 10 16.239 -3.796 -6.603 1.00 0.00 N ATOM 0 H LYS A 10 11.389 0.325 -5.551 1.00 0.00 H new ATOM 0 HA LYS A 10 13.946 0.385 -4.347 1.00 0.00 H new ATOM 0 HB2 LYS A 10 12.425 -1.455 -3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.245 -1.785 -5.653 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.049 -2.091 -5.015 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.138 -2.938 -3.781 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.075 -4.386 -5.395 1.00 0.00 H new ATOM 0 HD3 LYS A 10 13.536 -3.363 -6.742 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.474 -4.980 -5.021 1.00 0.00 H new ATOM 0 HE3 LYS A 10 14.909 -5.446 -6.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 16.536 -4.250 -7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.902 -2.832 -6.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 17.047 -3.752 -5.950 1.00 0.00 H new ATOM 154 N LYS A 11 13.880 -0.141 -7.617 1.00 0.00 N ATOM 155 CA LYS A 11 14.645 -0.112 -8.876 1.00 0.00 C ATOM 156 C LYS A 11 15.240 1.292 -9.095 1.00 0.00 C ATOM 157 O LYS A 11 16.370 1.426 -9.565 1.00 0.00 O ATOM 158 CB LYS A 11 13.729 -0.520 -10.067 1.00 0.00 C ATOM 159 CG LYS A 11 14.407 -0.527 -11.460 1.00 0.00 C ATOM 160 CD LYS A 11 15.630 -1.476 -11.539 1.00 0.00 C ATOM 161 CE LYS A 11 16.276 -1.496 -12.935 1.00 0.00 C ATOM 162 NZ LYS A 11 17.506 -2.321 -12.963 1.00 0.00 N ATOM 0 H LYS A 11 12.875 -0.245 -7.757 1.00 0.00 H new ATOM 0 HA LYS A 11 15.465 -0.828 -8.816 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.331 -1.516 -9.871 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.880 0.162 -10.099 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.676 -0.824 -12.211 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.725 0.486 -11.707 1.00 0.00 H new ATOM 0 HD2 LYS A 11 16.373 -1.167 -10.804 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.319 -2.486 -11.272 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.561 -1.885 -13.660 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.515 -0.477 -13.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.712 -2.605 -13.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.303 -1.768 -12.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 17.368 -3.170 -12.379 1.00 0.00 H new ATOM 176 N GLY A 12 14.477 2.327 -8.703 1.00 0.00 N ATOM 177 CA GLY A 12 14.925 3.714 -8.801 1.00 0.00 C ATOM 178 C GLY A 12 16.114 4.012 -7.904 1.00 0.00 C ATOM 179 O GLY A 12 17.059 4.683 -8.308 1.00 0.00 O ATOM 0 H GLY A 12 13.541 2.220 -8.313 1.00 0.00 H new ATOM 0 HA2 GLY A 12 15.192 3.933 -9.835 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.101 4.377 -8.537 1.00 0.00 H new ATOM 183 N LEU A 13 16.056 3.499 -6.677 1.00 0.00 N ATOM 184 CA LEU A 13 17.134 3.619 -5.685 1.00 0.00 C ATOM 185 C LEU A 13 18.353 2.749 -6.104 1.00 0.00 C ATOM 186 O LEU A 13 19.495 3.048 -5.753 1.00 0.00 O ATOM 187 CB LEU A 13 16.562 3.252 -4.284 1.00 0.00 C ATOM 188 CG LEU A 13 15.485 4.263 -3.718 1.00 0.00 C ATOM 189 CD1 LEU A 13 14.530 3.607 -2.698 1.00 0.00 C ATOM 190 CD2 LEU A 13 16.158 5.507 -3.096 1.00 0.00 C ATOM 0 H LEU A 13 15.248 2.979 -6.334 1.00 0.00 H new ATOM 0 HA LEU A 13 17.504 4.643 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 13 16.114 2.260 -4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 13 17.388 3.190 -3.576 1.00 0.00 H new ATOM 0 HG LEU A 13 14.883 4.576 -4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.813 4.347 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.997 2.785 -3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.105 3.226 -1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 13 15.392 6.183 -2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 13 16.808 5.198 -2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 13 16.749 6.019 -3.855 1.00 0.00 H new ATOM 202 N LEU A 14 18.090 1.694 -6.896 1.00 0.00 N ATOM 203 CA LEU A 14 19.136 0.833 -7.499 1.00 0.00 C ATOM 204 C LEU A 14 19.825 1.525 -8.712 1.00 0.00 C ATOM 205 O LEU A 14 20.964 1.190 -9.048 1.00 0.00 O ATOM 206 CB LEU A 14 18.520 -0.539 -7.905 1.00 0.00 C ATOM 207 CG LEU A 14 19.475 -1.593 -8.561 1.00 0.00 C ATOM 208 CD1 LEU A 14 20.660 -1.977 -7.641 1.00 0.00 C ATOM 209 CD2 LEU A 14 18.685 -2.841 -9.010 1.00 0.00 C ATOM 0 H LEU A 14 17.142 1.409 -7.140 1.00 0.00 H new ATOM 0 HA LEU A 14 19.912 0.663 -6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 14 18.084 -0.989 -7.013 1.00 0.00 H new ATOM 0 HB3 LEU A 14 17.701 -0.348 -8.599 1.00 0.00 H new ATOM 0 HG LEU A 14 19.910 -1.124 -9.444 1.00 0.00 H new ATOM 0 HD11 LEU A 14 21.289 -2.710 -8.145 1.00 0.00 H new ATOM 0 HD12 LEU A 14 21.248 -1.088 -7.415 1.00 0.00 H new ATOM 0 HD13 LEU A 14 20.277 -2.404 -6.714 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.367 -3.560 -9.463 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.200 -3.295 -8.146 1.00 0.00 H new ATOM 0 HD23 LEU A 14 17.929 -2.550 -9.739 1.00 0.00 H new ATOM 221 N GLU A 15 19.134 2.471 -9.383 1.00 0.00 N ATOM 222 CA GLU A 15 19.679 3.157 -10.589 1.00 0.00 C ATOM 223 C GLU A 15 20.108 4.609 -10.289 1.00 0.00 C ATOM 224 O GLU A 15 21.289 4.956 -10.403 1.00 0.00 O ATOM 225 CB GLU A 15 18.638 3.136 -11.745 1.00 0.00 C ATOM 226 CG GLU A 15 18.188 1.724 -12.179 1.00 0.00 C ATOM 227 CD GLU A 15 19.352 0.759 -12.492 1.00 0.00 C ATOM 228 OE1 GLU A 15 20.173 1.071 -13.383 1.00 0.00 O ATOM 229 OE2 GLU A 15 19.445 -0.319 -11.857 1.00 0.00 O ATOM 0 H GLU A 15 18.200 2.781 -9.116 1.00 0.00 H new ATOM 0 HA GLU A 15 20.569 2.608 -10.895 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.760 3.704 -11.436 1.00 0.00 H new ATOM 0 HB3 GLU A 15 19.062 3.649 -12.608 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.574 1.291 -11.389 1.00 0.00 H new ATOM 0 HG3 GLU A 15 17.555 1.812 -13.062 1.00 0.00 H new ATOM 236 N HIS A 16 19.132 5.453 -9.910 1.00 0.00 N ATOM 237 CA HIS A 16 19.353 6.893 -9.610 1.00 0.00 C ATOM 238 C HIS A 16 20.079 7.069 -8.258 1.00 0.00 C ATOM 239 O HIS A 16 20.802 8.050 -8.053 1.00 0.00 O ATOM 240 CB HIS A 16 18.002 7.661 -9.591 1.00 0.00 C ATOM 241 CG HIS A 16 17.167 7.484 -10.839 1.00 0.00 C ATOM 242 ND1 HIS A 16 17.301 8.278 -11.953 1.00 0.00 N ATOM 243 CD2 HIS A 16 16.199 6.583 -11.142 1.00 0.00 C ATOM 244 CE1 HIS A 16 16.463 7.872 -12.888 1.00 0.00 C ATOM 245 NE2 HIS A 16 15.780 6.843 -12.423 1.00 0.00 N ATOM 0 H HIS A 16 18.161 5.161 -9.800 1.00 0.00 H new ATOM 0 HA HIS A 16 19.982 7.307 -10.398 1.00 0.00 H new ATOM 0 HB2 HIS A 16 17.422 7.330 -8.730 1.00 0.00 H new ATOM 0 HB3 HIS A 16 18.203 8.723 -9.450 1.00 0.00 H new ATOM 0 HD2 HIS A 16 15.826 5.804 -10.494 1.00 0.00 H new ATOM 0 HE1 HIS A 16 16.354 8.309 -13.870 1.00 0.00 H new ATOM 0 HE2 HIS A 16 15.061 6.327 -12.931 1.00 0.00 H new ATOM 254 N GLY A 17 19.867 6.105 -7.347 1.00 0.00 N ATOM 255 CA GLY A 17 20.497 6.109 -6.023 1.00 0.00 C ATOM 256 C GLY A 17 19.574 6.634 -4.936 1.00 0.00 C ATOM 257 O GLY A 17 18.365 6.750 -5.151 1.00 0.00 O ATOM 0 H GLY A 17 19.256 5.305 -7.510 1.00 0.00 H new ATOM 0 HA2 GLY A 17 20.809 5.096 -5.771 1.00 0.00 H new ATOM 0 HA3 GLY A 17 21.398 6.721 -6.056 1.00 0.00 H new ATOM 261 N ARG A 18 20.163 7.015 -3.783 1.00 0.00 N ATOM 262 CA ARG A 18 19.416 7.444 -2.569 1.00 0.00 C ATOM 263 C ARG A 18 18.849 8.898 -2.716 1.00 0.00 C ATOM 264 O ARG A 18 18.357 9.478 -1.746 1.00 0.00 O ATOM 265 CB ARG A 18 20.355 7.327 -1.314 1.00 0.00 C ATOM 266 CG ARG A 18 19.636 7.362 0.069 1.00 0.00 C ATOM 267 CD ARG A 18 18.945 6.029 0.445 1.00 0.00 C ATOM 268 NE ARG A 18 19.917 5.008 0.894 1.00 0.00 N ATOM 269 CZ ARG A 18 19.631 3.934 1.660 1.00 0.00 C ATOM 270 NH1 ARG A 18 18.381 3.652 2.001 1.00 0.00 N ATOM 271 NH2 ARG A 18 20.608 3.132 2.052 1.00 0.00 N ATOM 0 H ARG A 18 21.176 7.036 -3.662 1.00 0.00 H new ATOM 0 HA ARG A 18 18.557 6.786 -2.440 1.00 0.00 H new ATOM 0 HB2 ARG A 18 20.917 6.396 -1.388 1.00 0.00 H new ATOM 0 HB3 ARG A 18 21.080 8.140 -1.348 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.364 7.614 0.841 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.891 8.158 0.061 1.00 0.00 H new ATOM 0 HD2 ARG A 18 18.217 6.209 1.236 1.00 0.00 H new ATOM 0 HD3 ARG A 18 18.394 5.651 -0.416 1.00 0.00 H new ATOM 0 HE ARG A 18 20.886 5.126 0.599 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.618 4.251 1.684 1.00 0.00 H new ATOM 0 HH12 ARG A 18 18.182 2.836 2.580 1.00 0.00 H new ATOM 0 HH21 ARG A 18 21.570 3.327 1.775 1.00 0.00 H new ATOM 0 HH22 ARG A 18 20.399 2.319 2.631 1.00 0.00 H new ATOM 285 N ASN A 19 18.919 9.469 -3.943 1.00 0.00 N ATOM 286 CA ASN A 19 18.406 10.821 -4.254 1.00 0.00 C ATOM 287 C ASN A 19 16.871 10.860 -4.125 1.00 0.00 C ATOM 288 O ASN A 19 16.161 10.522 -5.074 1.00 0.00 O ATOM 289 CB ASN A 19 18.842 11.255 -5.686 1.00 0.00 C ATOM 290 CG ASN A 19 20.356 11.392 -5.841 1.00 0.00 C ATOM 291 OD1 ASN A 19 20.919 12.457 -5.582 1.00 0.00 O ATOM 292 ND2 ASN A 19 21.029 10.324 -6.261 1.00 0.00 N ATOM 0 H ASN A 19 19.336 9.000 -4.747 1.00 0.00 H new ATOM 0 HA ASN A 19 18.831 11.522 -3.536 1.00 0.00 H new ATOM 0 HB2 ASN A 19 18.474 10.525 -6.407 1.00 0.00 H new ATOM 0 HB3 ASN A 19 18.371 12.208 -5.929 1.00 0.00 H new ATOM 0 HD21 ASN A 19 22.041 10.372 -6.377 1.00 0.00 H new ATOM 0 HD22 ASN A 19 20.533 9.457 -6.467 1.00 0.00 H new ATOM 299 N TRP A 20 16.382 11.276 -2.943 1.00 0.00 N ATOM 300 CA TRP A 20 14.945 11.258 -2.595 1.00 0.00 C ATOM 301 C TRP A 20 14.105 12.126 -3.554 1.00 0.00 C ATOM 302 O TRP A 20 12.953 11.807 -3.817 1.00 0.00 O ATOM 303 CB TRP A 20 14.745 11.727 -1.132 1.00 0.00 C ATOM 304 CG TRP A 20 15.500 10.884 -0.121 1.00 0.00 C ATOM 305 CD1 TRP A 20 16.714 11.166 0.453 1.00 0.00 C ATOM 306 CD2 TRP A 20 15.095 9.612 0.414 1.00 0.00 C ATOM 307 NE1 TRP A 20 17.080 10.152 1.304 1.00 0.00 N ATOM 308 CE2 TRP A 20 16.104 9.189 1.297 1.00 0.00 C ATOM 309 CE3 TRP A 20 13.972 8.793 0.230 1.00 0.00 C ATOM 310 CZ2 TRP A 20 16.028 7.986 1.994 1.00 0.00 C ATOM 311 CZ3 TRP A 20 13.896 7.598 0.923 1.00 0.00 C ATOM 312 CH2 TRP A 20 14.920 7.206 1.796 1.00 0.00 C ATOM 0 H TRP A 20 16.975 11.637 -2.196 1.00 0.00 H new ATOM 0 HA TRP A 20 14.596 10.230 -2.697 1.00 0.00 H new ATOM 0 HB2 TRP A 20 15.068 12.764 -1.043 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.682 11.703 -0.893 1.00 0.00 H new ATOM 0 HD1 TRP A 20 17.297 12.055 0.263 1.00 0.00 H new ATOM 0 HE1 TRP A 20 17.939 10.120 1.853 1.00 0.00 H new ATOM 0 HE3 TRP A 20 13.180 9.090 -0.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.815 7.679 2.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 13.036 6.959 0.789 1.00 0.00 H new ATOM 0 HH2 TRP A 20 14.833 6.268 2.324 1.00 0.00 H new ATOM 323 N SER A 21 14.711 13.212 -4.066 1.00 0.00 N ATOM 324 CA SER A 21 14.077 14.117 -5.046 1.00 0.00 C ATOM 325 C SER A 21 13.885 13.408 -6.407 1.00 0.00 C ATOM 326 O SER A 21 12.844 13.566 -7.062 1.00 0.00 O ATOM 327 CB SER A 21 14.945 15.390 -5.217 1.00 0.00 C ATOM 328 OG SER A 21 14.352 16.323 -6.110 1.00 0.00 O ATOM 0 H SER A 21 15.659 13.489 -3.811 1.00 0.00 H new ATOM 0 HA SER A 21 13.093 14.401 -4.674 1.00 0.00 H new ATOM 0 HB2 SER A 21 15.092 15.861 -4.245 1.00 0.00 H new ATOM 0 HB3 SER A 21 15.931 15.109 -5.588 1.00 0.00 H new ATOM 0 HG SER A 21 14.928 17.111 -6.190 1.00 0.00 H new ATOM 334 N ALA A 22 14.902 12.622 -6.808 1.00 0.00 N ATOM 335 CA ALA A 22 14.917 11.916 -8.106 1.00 0.00 C ATOM 336 C ALA A 22 13.884 10.778 -8.128 1.00 0.00 C ATOM 337 O ALA A 22 13.209 10.557 -9.138 1.00 0.00 O ATOM 338 CB ALA A 22 16.319 11.366 -8.405 1.00 0.00 C ATOM 0 H ALA A 22 15.736 12.458 -6.243 1.00 0.00 H new ATOM 0 HA ALA A 22 14.650 12.635 -8.881 1.00 0.00 H new ATOM 0 HB1 ALA A 22 16.310 10.849 -9.365 1.00 0.00 H new ATOM 0 HB2 ALA A 22 17.032 12.189 -8.443 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.611 10.668 -7.620 1.00 0.00 H new ATOM 344 N ILE A 23 13.770 10.072 -6.990 1.00 0.00 N ATOM 345 CA ILE A 23 12.841 8.929 -6.836 1.00 0.00 C ATOM 346 C ILE A 23 11.403 9.455 -6.702 1.00 0.00 C ATOM 347 O ILE A 23 10.464 8.869 -7.242 1.00 0.00 O ATOM 348 CB ILE A 23 13.212 8.032 -5.598 1.00 0.00 C ATOM 349 CG1 ILE A 23 14.744 7.731 -5.570 1.00 0.00 C ATOM 350 CG2 ILE A 23 12.387 6.711 -5.582 1.00 0.00 C ATOM 351 CD1 ILE A 23 15.325 7.172 -6.853 1.00 0.00 C ATOM 0 H ILE A 23 14.315 10.273 -6.152 1.00 0.00 H new ATOM 0 HA ILE A 23 12.925 8.302 -7.724 1.00 0.00 H new ATOM 0 HB ILE A 23 12.956 8.591 -4.698 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.273 8.652 -5.324 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.943 7.024 -4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.669 6.116 -4.713 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.324 6.947 -5.531 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.590 6.144 -6.491 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.394 7.000 -6.724 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.832 6.230 -7.096 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.168 7.883 -7.664 1.00 0.00 H new ATOM 363 N ALA A 24 11.267 10.593 -6.003 1.00 0.00 N ATOM 364 CA ALA A 24 9.987 11.316 -5.847 1.00 0.00 C ATOM 365 C ALA A 24 9.432 11.781 -7.198 1.00 0.00 C ATOM 366 O ALA A 24 8.221 11.881 -7.378 1.00 0.00 O ATOM 367 CB ALA A 24 10.181 12.524 -4.945 1.00 0.00 C ATOM 0 H ALA A 24 12.047 11.044 -5.525 1.00 0.00 H new ATOM 0 HA ALA A 24 9.271 10.626 -5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.234 13.052 -4.835 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.529 12.195 -3.966 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.920 13.193 -5.387 1.00 0.00 H new ATOM 373 N ARG A 25 10.349 12.108 -8.113 1.00 0.00 N ATOM 374 CA ARG A 25 10.026 12.470 -9.497 1.00 0.00 C ATOM 375 C ARG A 25 9.707 11.204 -10.322 1.00 0.00 C ATOM 376 O ARG A 25 8.782 11.203 -11.139 1.00 0.00 O ATOM 377 CB ARG A 25 11.213 13.264 -10.118 1.00 0.00 C ATOM 378 CG ARG A 25 11.103 13.518 -11.640 1.00 0.00 C ATOM 379 CD ARG A 25 12.262 14.361 -12.202 1.00 0.00 C ATOM 380 NE ARG A 25 12.260 14.376 -13.683 1.00 0.00 N ATOM 381 CZ ARG A 25 11.512 15.180 -14.461 1.00 0.00 C ATOM 382 NH1 ARG A 25 10.622 16.025 -13.941 1.00 0.00 N ATOM 383 NH2 ARG A 25 11.645 15.110 -15.778 1.00 0.00 N ATOM 0 H ARG A 25 11.349 12.129 -7.912 1.00 0.00 H new ATOM 0 HA ARG A 25 9.140 13.105 -9.509 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.294 14.225 -9.609 1.00 0.00 H new ATOM 0 HB3 ARG A 25 12.137 12.720 -9.921 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.074 12.560 -12.160 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.160 14.023 -11.850 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.185 15.382 -11.828 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.210 13.961 -11.843 1.00 0.00 H new ATOM 0 HE ARG A 25 12.881 13.719 -14.155 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.495 16.073 -12.930 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.068 16.623 -14.554 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.308 14.453 -16.189 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.085 15.713 -16.380 1.00 0.00 H new ATOM 397 N MET A 26 10.468 10.124 -10.072 1.00 0.00 N ATOM 398 CA MET A 26 10.394 8.886 -10.869 1.00 0.00 C ATOM 399 C MET A 26 9.061 8.137 -10.641 1.00 0.00 C ATOM 400 O MET A 26 8.280 7.948 -11.577 1.00 0.00 O ATOM 401 CB MET A 26 11.596 7.970 -10.513 1.00 0.00 C ATOM 402 CG MET A 26 11.591 6.604 -11.206 1.00 0.00 C ATOM 403 SD MET A 26 13.007 5.584 -10.758 1.00 0.00 S ATOM 404 CE MET A 26 12.601 4.046 -11.586 1.00 0.00 C ATOM 0 H MET A 26 11.150 10.084 -9.314 1.00 0.00 H new ATOM 0 HA MET A 26 10.438 9.156 -11.924 1.00 0.00 H new ATOM 0 HB2 MET A 26 12.519 8.489 -10.771 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.609 7.814 -9.434 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.673 6.075 -10.949 1.00 0.00 H new ATOM 0 HG3 MET A 26 11.583 6.750 -12.286 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.067 3.214 -11.058 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.519 3.911 -11.593 1.00 0.00 H new ATOM 0 HE3 MET A 26 12.970 4.076 -12.611 1.00 0.00 H new ATOM 414 N VAL A 27 8.814 7.718 -9.393 1.00 0.00 N ATOM 415 CA VAL A 27 7.612 6.937 -9.034 1.00 0.00 C ATOM 416 C VAL A 27 6.426 7.839 -8.663 1.00 0.00 C ATOM 417 O VAL A 27 5.285 7.553 -9.036 1.00 0.00 O ATOM 418 CB VAL A 27 7.922 5.900 -7.889 1.00 0.00 C ATOM 419 CG1 VAL A 27 9.018 4.921 -8.355 1.00 0.00 C ATOM 420 CG2 VAL A 27 8.333 6.578 -6.554 1.00 0.00 C ATOM 0 H VAL A 27 9.434 7.907 -8.605 1.00 0.00 H new ATOM 0 HA VAL A 27 7.321 6.376 -9.922 1.00 0.00 H new ATOM 0 HB VAL A 27 6.999 5.355 -7.689 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.229 4.206 -7.560 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.676 4.387 -9.242 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.925 5.477 -8.593 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.534 5.813 -5.804 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.230 7.176 -6.711 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.524 7.221 -6.208 1.00 0.00 H new ATOM 430 N GLY A 28 6.715 8.917 -7.913 1.00 0.00 N ATOM 431 CA GLY A 28 5.682 9.811 -7.406 1.00 0.00 C ATOM 432 C GLY A 28 5.215 10.821 -8.446 1.00 0.00 C ATOM 433 O GLY A 28 4.006 11.023 -8.622 1.00 0.00 O ATOM 0 H GLY A 28 7.663 9.183 -7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.829 9.221 -7.071 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.064 10.343 -6.535 1.00 0.00 H new ATOM 437 N SER A 29 6.204 11.434 -9.145 1.00 0.00 N ATOM 438 CA SER A 29 6.006 12.559 -10.089 1.00 0.00 C ATOM 439 C SER A 29 5.298 13.764 -9.402 1.00 0.00 C ATOM 440 O SER A 29 4.710 14.622 -10.076 1.00 0.00 O ATOM 441 CB SER A 29 5.252 12.061 -11.361 1.00 0.00 C ATOM 442 OG SER A 29 5.237 13.042 -12.388 1.00 0.00 O ATOM 0 H SER A 29 7.181 11.153 -9.065 1.00 0.00 H new ATOM 0 HA SER A 29 6.981 12.928 -10.408 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.728 11.154 -11.733 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.228 11.798 -11.096 1.00 0.00 H new ATOM 0 HG SER A 29 4.993 13.911 -12.007 1.00 0.00 H new ATOM 448 N LYS A 30 5.404 13.847 -8.048 1.00 0.00 N ATOM 449 CA LYS A 30 4.674 14.841 -7.231 1.00 0.00 C ATOM 450 C LYS A 30 5.595 15.488 -6.169 1.00 0.00 C ATOM 451 O LYS A 30 6.081 16.610 -6.361 1.00 0.00 O ATOM 452 CB LYS A 30 3.418 14.194 -6.550 1.00 0.00 C ATOM 453 CG LYS A 30 2.318 13.706 -7.527 1.00 0.00 C ATOM 454 CD LYS A 30 1.098 13.067 -6.817 1.00 0.00 C ATOM 455 CE LYS A 30 0.375 14.041 -5.862 1.00 0.00 C ATOM 456 NZ LYS A 30 -0.870 13.456 -5.300 1.00 0.00 N ATOM 0 H LYS A 30 5.998 13.226 -7.499 1.00 0.00 H new ATOM 0 HA LYS A 30 4.334 15.629 -7.903 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.747 13.348 -5.946 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.979 14.922 -5.867 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.978 14.549 -8.128 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.750 12.978 -8.214 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.392 12.713 -7.568 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.429 12.194 -6.254 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.046 14.314 -5.048 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.133 14.959 -6.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.321 14.145 -4.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.523 13.219 -6.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.638 12.594 -4.767 1.00 0.00 H new ATOM 470 N THR A 31 5.868 14.761 -5.064 1.00 0.00 N ATOM 471 CA THR A 31 6.418 15.361 -3.827 1.00 0.00 C ATOM 472 C THR A 31 7.551 14.486 -3.246 1.00 0.00 C ATOM 473 O THR A 31 7.473 13.254 -3.303 1.00 0.00 O ATOM 474 CB THR A 31 5.264 15.518 -2.771 1.00 0.00 C ATOM 475 OG1 THR A 31 4.116 16.140 -3.386 1.00 0.00 O ATOM 476 CG2 THR A 31 5.681 16.350 -1.545 1.00 0.00 C ATOM 0 H THR A 31 5.716 13.754 -5.003 1.00 0.00 H new ATOM 0 HA THR A 31 6.836 16.339 -4.065 1.00 0.00 H new ATOM 0 HB THR A 31 5.022 14.513 -2.424 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.400 16.233 -2.723 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.842 16.423 -0.852 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.522 15.868 -1.047 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.974 17.350 -1.866 1.00 0.00 H new ATOM 484 N VAL A 32 8.592 15.136 -2.669 1.00 0.00 N ATOM 485 CA VAL A 32 9.747 14.445 -2.036 1.00 0.00 C ATOM 486 C VAL A 32 9.303 13.685 -0.773 1.00 0.00 C ATOM 487 O VAL A 32 9.829 12.604 -0.469 1.00 0.00 O ATOM 488 CB VAL A 32 10.929 15.435 -1.704 1.00 0.00 C ATOM 489 CG1 VAL A 32 12.148 14.699 -1.069 1.00 0.00 C ATOM 490 CG2 VAL A 32 11.364 16.212 -2.972 1.00 0.00 C ATOM 0 H VAL A 32 8.656 16.153 -2.629 1.00 0.00 H new ATOM 0 HA VAL A 32 10.126 13.726 -2.763 1.00 0.00 H new ATOM 0 HB VAL A 32 10.557 16.146 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.938 15.420 -0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.839 14.216 -0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.521 13.946 -1.764 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.180 16.889 -2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.698 15.507 -3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.520 16.786 -3.354 1.00 0.00 H new ATOM 500 N SER A 33 8.303 14.259 -0.074 1.00 0.00 N ATOM 501 CA SER A 33 7.673 13.655 1.115 1.00 0.00 C ATOM 502 C SER A 33 7.116 12.254 0.793 1.00 0.00 C ATOM 503 O SER A 33 7.237 11.336 1.592 1.00 0.00 O ATOM 504 CB SER A 33 6.546 14.578 1.641 1.00 0.00 C ATOM 505 OG SER A 33 5.992 14.112 2.866 1.00 0.00 O ATOM 0 H SER A 33 7.907 15.165 -0.323 1.00 0.00 H new ATOM 0 HA SER A 33 8.432 13.544 1.889 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.940 15.584 1.783 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.757 14.648 0.892 1.00 0.00 H new ATOM 0 HG SER A 33 5.287 14.726 3.160 1.00 0.00 H new ATOM 511 N GLN A 34 6.553 12.113 -0.415 1.00 0.00 N ATOM 512 CA GLN A 34 5.961 10.856 -0.907 1.00 0.00 C ATOM 513 C GLN A 34 7.019 9.719 -0.940 1.00 0.00 C ATOM 514 O GLN A 34 6.759 8.605 -0.470 1.00 0.00 O ATOM 515 CB GLN A 34 5.341 11.128 -2.306 1.00 0.00 C ATOM 516 CG GLN A 34 4.484 10.001 -2.910 1.00 0.00 C ATOM 517 CD GLN A 34 3.743 10.427 -4.187 1.00 0.00 C ATOM 518 OE1 GLN A 34 4.200 11.301 -4.928 1.00 0.00 O ATOM 519 NE2 GLN A 34 2.602 9.808 -4.454 1.00 0.00 N ATOM 0 H GLN A 34 6.494 12.877 -1.088 1.00 0.00 H new ATOM 0 HA GLN A 34 5.176 10.516 -0.232 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.725 12.025 -2.237 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.151 11.350 -3.001 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.123 9.147 -3.135 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.757 9.668 -2.169 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.251 9.089 -3.821 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.075 10.050 -5.293 1.00 0.00 H new ATOM 528 N CYS A 35 8.230 10.051 -1.434 1.00 0.00 N ATOM 529 CA CYS A 35 9.371 9.099 -1.503 1.00 0.00 C ATOM 530 C CYS A 35 10.016 8.881 -0.120 1.00 0.00 C ATOM 531 O CYS A 35 10.591 7.818 0.143 1.00 0.00 O ATOM 532 CB CYS A 35 10.439 9.603 -2.490 1.00 0.00 C ATOM 533 SG CYS A 35 11.924 8.576 -2.564 1.00 0.00 S ATOM 0 H CYS A 35 8.449 10.979 -1.796 1.00 0.00 H new ATOM 0 HA CYS A 35 8.973 8.146 -1.852 1.00 0.00 H new ATOM 0 HB2 CYS A 35 10.000 9.659 -3.486 1.00 0.00 H new ATOM 0 HB3 CYS A 35 10.726 10.617 -2.211 1.00 0.00 H new ATOM 0 HG CYS A 35 12.055 7.922 -1.448 1.00 0.00 H new ATOM 539 N LYS A 36 9.936 9.900 0.750 1.00 0.00 N ATOM 540 CA LYS A 36 10.490 9.837 2.119 1.00 0.00 C ATOM 541 C LYS A 36 9.705 8.828 2.974 1.00 0.00 C ATOM 542 O LYS A 36 10.291 7.906 3.550 1.00 0.00 O ATOM 543 CB LYS A 36 10.478 11.256 2.767 1.00 0.00 C ATOM 544 CG LYS A 36 11.698 12.143 2.401 1.00 0.00 C ATOM 545 CD LYS A 36 13.013 11.648 3.063 1.00 0.00 C ATOM 546 CE LYS A 36 12.939 11.672 4.602 1.00 0.00 C ATOM 547 NZ LYS A 36 14.182 11.200 5.251 1.00 0.00 N ATOM 0 H LYS A 36 9.488 10.789 0.529 1.00 0.00 H new ATOM 0 HA LYS A 36 11.523 9.494 2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.567 11.772 2.464 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.437 11.146 3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.822 12.155 1.318 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.503 13.170 2.711 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.226 10.633 2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.842 12.274 2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.727 12.688 4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.106 11.049 4.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.071 11.239 6.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.375 10.220 4.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.976 11.808 4.965 1.00 0.00 H new ATOM 561 N ASN A 37 8.370 8.997 3.005 1.00 0.00 N ATOM 562 CA ASN A 37 7.462 8.156 3.811 1.00 0.00 C ATOM 563 C ASN A 37 7.342 6.741 3.215 1.00 0.00 C ATOM 564 O ASN A 37 6.971 5.812 3.929 1.00 0.00 O ATOM 565 CB ASN A 37 6.060 8.813 3.972 1.00 0.00 C ATOM 566 CG ASN A 37 6.101 10.134 4.756 1.00 0.00 C ATOM 567 OD1 ASN A 37 6.145 10.136 5.982 1.00 0.00 O ATOM 568 ND2 ASN A 37 6.037 11.261 4.064 1.00 0.00 N ATOM 0 H ASN A 37 7.889 9.721 2.472 1.00 0.00 H new ATOM 0 HA ASN A 37 7.898 8.069 4.806 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.635 8.996 2.985 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.395 8.116 4.481 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.023 12.158 4.550 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.001 11.232 3.045 1.00 0.00 H new ATOM 575 N PHE A 38 7.665 6.597 1.906 1.00 0.00 N ATOM 576 CA PHE A 38 7.783 5.280 1.226 1.00 0.00 C ATOM 577 C PHE A 38 8.687 4.321 2.025 1.00 0.00 C ATOM 578 O PHE A 38 8.332 3.167 2.256 1.00 0.00 O ATOM 579 CB PHE A 38 8.358 5.457 -0.218 1.00 0.00 C ATOM 580 CG PHE A 38 8.951 4.182 -0.848 1.00 0.00 C ATOM 581 CD1 PHE A 38 8.134 3.111 -1.217 1.00 0.00 C ATOM 582 CD2 PHE A 38 10.334 4.046 -1.044 1.00 0.00 C ATOM 583 CE1 PHE A 38 8.672 1.959 -1.754 1.00 0.00 C ATOM 584 CE2 PHE A 38 10.867 2.890 -1.586 1.00 0.00 C ATOM 585 CZ PHE A 38 10.036 1.848 -1.941 1.00 0.00 C ATOM 0 H PHE A 38 7.851 7.389 1.291 1.00 0.00 H new ATOM 0 HA PHE A 38 6.783 4.850 1.166 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.563 5.827 -0.866 1.00 0.00 H new ATOM 0 HB3 PHE A 38 9.132 6.224 -0.192 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.065 3.185 -1.080 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.992 4.856 -0.767 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.023 1.140 -2.029 1.00 0.00 H new ATOM 0 HE2 PHE A 38 11.934 2.804 -1.731 1.00 0.00 H new ATOM 0 HZ PHE A 38 10.452 0.946 -2.365 1.00 0.00 H new ATOM 595 N TYR A 39 9.852 4.834 2.441 1.00 0.00 N ATOM 596 CA TYR A 39 10.926 4.009 3.012 1.00 0.00 C ATOM 597 C TYR A 39 10.572 3.531 4.432 1.00 0.00 C ATOM 598 O TYR A 39 10.988 2.447 4.860 1.00 0.00 O ATOM 599 CB TYR A 39 12.258 4.797 3.006 1.00 0.00 C ATOM 600 CG TYR A 39 13.492 3.897 3.064 1.00 0.00 C ATOM 601 CD1 TYR A 39 13.995 3.327 1.898 1.00 0.00 C ATOM 602 CD2 TYR A 39 14.139 3.601 4.267 1.00 0.00 C ATOM 603 CE1 TYR A 39 15.095 2.505 1.927 1.00 0.00 C ATOM 604 CE2 TYR A 39 15.246 2.775 4.297 1.00 0.00 C ATOM 605 CZ TYR A 39 15.719 2.228 3.122 1.00 0.00 C ATOM 606 OH TYR A 39 16.835 1.414 3.137 1.00 0.00 O ATOM 0 H TYR A 39 10.077 5.828 2.392 1.00 0.00 H new ATOM 0 HA TYR A 39 11.043 3.120 2.392 1.00 0.00 H new ATOM 0 HB2 TYR A 39 12.306 5.410 2.106 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.273 5.478 3.857 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.512 3.535 0.955 1.00 0.00 H new ATOM 0 HD2 TYR A 39 13.767 4.025 5.188 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.471 2.075 1.010 1.00 0.00 H new ATOM 0 HE2 TYR A 39 15.738 2.559 5.234 1.00 0.00 H new ATOM 0 HH TYR A 39 17.049 1.135 2.222 1.00 0.00 H new ATOM 616 N PHE A 40 9.811 4.356 5.156 1.00 0.00 N ATOM 617 CA PHE A 40 9.359 4.051 6.527 1.00 0.00 C ATOM 618 C PHE A 40 8.050 3.232 6.499 1.00 0.00 C ATOM 619 O PHE A 40 7.703 2.563 7.478 1.00 0.00 O ATOM 620 CB PHE A 40 9.201 5.372 7.324 1.00 0.00 C ATOM 621 CG PHE A 40 10.524 6.124 7.506 1.00 0.00 C ATOM 622 CD1 PHE A 40 11.044 6.925 6.486 1.00 0.00 C ATOM 623 CD2 PHE A 40 11.265 6.004 8.682 1.00 0.00 C ATOM 624 CE1 PHE A 40 12.247 7.588 6.640 1.00 0.00 C ATOM 625 CE2 PHE A 40 12.471 6.664 8.836 1.00 0.00 C ATOM 626 CZ PHE A 40 12.962 7.454 7.815 1.00 0.00 C ATOM 0 H PHE A 40 9.487 5.260 4.811 1.00 0.00 H new ATOM 0 HA PHE A 40 10.106 3.437 7.030 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.490 6.018 6.809 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.778 5.150 8.304 1.00 0.00 H new ATOM 0 HD1 PHE A 40 10.496 7.028 5.561 1.00 0.00 H new ATOM 0 HD2 PHE A 40 10.891 5.386 9.485 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.628 8.210 5.843 1.00 0.00 H new ATOM 0 HE2 PHE A 40 13.029 6.561 9.755 1.00 0.00 H new ATOM 0 HZ PHE A 40 13.905 7.967 7.935 1.00 0.00 H new ATOM 770 N LEU A 48 16.281 -2.703 1.047 1.00 0.00 N ATOM 771 CA LEU A 48 16.771 -1.708 0.076 1.00 0.00 C ATOM 772 C LEU A 48 18.153 -1.168 0.488 1.00 0.00 C ATOM 773 O LEU A 48 18.964 -0.840 -0.380 1.00 0.00 O ATOM 774 CB LEU A 48 15.728 -0.552 -0.079 1.00 0.00 C ATOM 775 CG LEU A 48 15.908 0.462 -1.275 1.00 0.00 C ATOM 776 CD1 LEU A 48 17.032 1.506 -1.043 1.00 0.00 C ATOM 777 CD2 LEU A 48 16.115 -0.287 -2.605 1.00 0.00 C ATOM 0 HA LEU A 48 16.890 -2.193 -0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.741 -1.005 -0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 48 15.728 0.023 0.847 1.00 0.00 H new ATOM 0 HG LEU A 48 14.979 1.030 -1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.097 2.168 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 48 16.806 2.092 -0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 48 17.984 0.992 -0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 48 16.237 0.434 -3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 48 17.007 -0.910 -2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.248 -0.916 -2.807 1.00 0.00 H new ATOM 789 N ASP A 49 18.406 -1.088 1.803 1.00 0.00 N ATOM 790 CA ASP A 49 19.633 -0.468 2.346 1.00 0.00 C ATOM 791 C ASP A 49 20.903 -1.161 1.811 1.00 0.00 C ATOM 792 O ASP A 49 21.861 -0.485 1.404 1.00 0.00 O ATOM 793 CB ASP A 49 19.616 -0.483 3.894 1.00 0.00 C ATOM 794 CG ASP A 49 20.773 0.327 4.513 1.00 0.00 C ATOM 795 OD1 ASP A 49 20.686 1.571 4.530 1.00 0.00 O ATOM 796 OD2 ASP A 49 21.770 -0.277 4.964 1.00 0.00 O ATOM 0 H ASP A 49 17.774 -1.447 2.518 1.00 0.00 H new ATOM 0 HA ASP A 49 19.654 0.568 2.009 1.00 0.00 H new ATOM 0 HB2 ASP A 49 18.667 -0.079 4.246 1.00 0.00 H new ATOM 0 HB3 ASP A 49 19.673 -1.514 4.243 1.00 0.00 H new ATOM 801 N GLU A 50 20.880 -2.509 1.788 1.00 0.00 N ATOM 802 CA GLU A 50 21.988 -3.306 1.233 1.00 0.00 C ATOM 803 C GLU A 50 22.044 -3.146 -0.305 1.00 0.00 C ATOM 804 O GLU A 50 23.123 -3.017 -0.869 1.00 0.00 O ATOM 805 CB GLU A 50 21.871 -4.802 1.618 1.00 0.00 C ATOM 806 CG GLU A 50 23.115 -5.645 1.237 1.00 0.00 C ATOM 807 CD GLU A 50 22.961 -7.150 1.524 1.00 0.00 C ATOM 808 OE1 GLU A 50 23.055 -7.555 2.707 1.00 0.00 O ATOM 809 OE2 GLU A 50 22.736 -7.933 0.569 1.00 0.00 O ATOM 0 H GLU A 50 20.105 -3.067 2.148 1.00 0.00 H new ATOM 0 HA GLU A 50 22.915 -2.929 1.665 1.00 0.00 H new ATOM 0 HB2 GLU A 50 21.707 -4.879 2.693 1.00 0.00 H new ATOM 0 HB3 GLU A 50 20.993 -5.226 1.130 1.00 0.00 H new ATOM 0 HG2 GLU A 50 23.324 -5.507 0.176 1.00 0.00 H new ATOM 0 HG3 GLU A 50 23.979 -5.267 1.784 1.00 0.00 H new ATOM 816 N ILE A 51 20.855 -3.135 -0.960 1.00 0.00 N ATOM 817 CA ILE A 51 20.708 -2.934 -2.434 1.00 0.00 C ATOM 818 C ILE A 51 21.377 -1.613 -2.892 1.00 0.00 C ATOM 819 O ILE A 51 21.926 -1.529 -3.995 1.00 0.00 O ATOM 820 CB ILE A 51 19.177 -2.930 -2.837 1.00 0.00 C ATOM 821 CG1 ILE A 51 18.524 -4.319 -2.555 1.00 0.00 C ATOM 822 CG2 ILE A 51 18.937 -2.489 -4.308 1.00 0.00 C ATOM 823 CD1 ILE A 51 17.016 -4.366 -2.749 1.00 0.00 C ATOM 0 H ILE A 51 19.963 -3.266 -0.482 1.00 0.00 H new ATOM 0 HA ILE A 51 21.210 -3.762 -2.935 1.00 0.00 H new ATOM 0 HB ILE A 51 18.693 -2.182 -2.209 1.00 0.00 H new ATOM 0 HG12 ILE A 51 18.984 -5.060 -3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 51 18.754 -4.611 -1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 51 17.869 -2.507 -4.523 1.00 0.00 H new ATOM 0 HG22 ILE A 51 19.319 -1.478 -4.452 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.454 -3.172 -4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 51 16.652 -5.370 -2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 51 16.540 -3.653 -2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 51 16.774 -4.109 -3.780 1.00 0.00 H new ATOM 835 N LEU A 52 21.329 -0.605 -2.013 1.00 0.00 N ATOM 836 CA LEU A 52 21.908 0.724 -2.262 1.00 0.00 C ATOM 837 C LEU A 52 23.452 0.625 -2.246 1.00 0.00 C ATOM 838 O LEU A 52 24.136 1.240 -3.079 1.00 0.00 O ATOM 839 CB LEU A 52 21.367 1.725 -1.189 1.00 0.00 C ATOM 840 CG LEU A 52 21.337 3.249 -1.551 1.00 0.00 C ATOM 841 CD1 LEU A 52 22.736 3.873 -1.664 1.00 0.00 C ATOM 842 CD2 LEU A 52 20.500 3.502 -2.816 1.00 0.00 C ATOM 0 H LEU A 52 20.883 -0.688 -1.099 1.00 0.00 H new ATOM 0 HA LEU A 52 21.615 1.095 -3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 52 20.351 1.423 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 52 21.971 1.608 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 52 20.852 3.754 -0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 52 22.644 4.929 -1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 52 23.258 3.772 -0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 52 23.301 3.361 -2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 52 20.497 4.568 -3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 52 20.932 2.954 -3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 52 19.477 3.164 -2.649 1.00 0.00 H new ATOM 854 N GLN A 53 23.979 -0.171 -1.291 1.00 0.00 N ATOM 855 CA GLN A 53 25.421 -0.477 -1.197 1.00 0.00 C ATOM 856 C GLN A 53 25.874 -1.270 -2.434 1.00 0.00 C ATOM 857 O GLN A 53 26.968 -1.029 -2.951 1.00 0.00 O ATOM 858 CB GLN A 53 25.740 -1.262 0.115 1.00 0.00 C ATOM 859 CG GLN A 53 27.195 -1.796 0.239 1.00 0.00 C ATOM 860 CD GLN A 53 28.295 -0.720 0.167 1.00 0.00 C ATOM 861 OE1 GLN A 53 29.467 -1.094 -0.334 1.00 0.00 O flip ATOM 862 NE2 GLN A 53 28.098 0.428 0.566 1.00 0.00 N flip ATOM 0 H GLN A 53 23.418 -0.618 -0.566 1.00 0.00 H new ATOM 0 HA GLN A 53 25.974 0.462 -1.164 1.00 0.00 H new ATOM 0 HB2 GLN A 53 25.537 -0.611 0.965 1.00 0.00 H new ATOM 0 HB3 GLN A 53 25.054 -2.106 0.188 1.00 0.00 H new ATOM 0 HG2 GLN A 53 27.291 -2.328 1.185 1.00 0.00 H new ATOM 0 HG3 GLN A 53 27.367 -2.523 -0.554 1.00 0.00 H new ATOM 0 HE21 GLN A 53 27.187 0.687 0.946 1.00 0.00 H new ATOM 0 HE22 GLN A 53 28.845 1.120 0.517 1.00 0.00 H new ATOM 871 N GLN A 54 25.006 -2.192 -2.915 1.00 0.00 N ATOM 872 CA GLN A 54 25.293 -3.000 -4.119 1.00 0.00 C ATOM 873 C GLN A 54 25.409 -2.072 -5.336 1.00 0.00 C ATOM 874 O GLN A 54 26.365 -2.161 -6.080 1.00 0.00 O ATOM 875 CB GLN A 54 24.212 -4.095 -4.372 1.00 0.00 C ATOM 876 CG GLN A 54 23.914 -5.029 -3.172 1.00 0.00 C ATOM 877 CD GLN A 54 25.075 -5.917 -2.684 1.00 0.00 C ATOM 878 OE1 GLN A 54 26.252 -5.582 -2.812 1.00 0.00 O ATOM 879 NE2 GLN A 54 24.743 -7.048 -2.069 1.00 0.00 N ATOM 0 H GLN A 54 24.103 -2.393 -2.486 1.00 0.00 H new ATOM 0 HA GLN A 54 26.236 -3.522 -3.956 1.00 0.00 H new ATOM 0 HB2 GLN A 54 23.285 -3.604 -4.667 1.00 0.00 H new ATOM 0 HB3 GLN A 54 24.531 -4.707 -5.216 1.00 0.00 H new ATOM 0 HG2 GLN A 54 23.581 -4.414 -2.336 1.00 0.00 H new ATOM 0 HG3 GLN A 54 23.080 -5.677 -3.443 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.761 -7.307 -1.973 1.00 0.00 H new ATOM 0 HE22 GLN A 54 25.470 -7.656 -1.693 1.00 0.00 H new ATOM 888 N HIS A 55 24.441 -1.143 -5.466 1.00 0.00 N ATOM 889 CA HIS A 55 24.419 -0.109 -6.526 1.00 0.00 C ATOM 890 C HIS A 55 25.736 0.693 -6.556 1.00 0.00 C ATOM 891 O HIS A 55 26.285 0.963 -7.633 1.00 0.00 O ATOM 892 CB HIS A 55 23.205 0.849 -6.311 1.00 0.00 C ATOM 893 CG HIS A 55 23.218 2.093 -7.169 1.00 0.00 C ATOM 894 ND1 HIS A 55 23.570 2.082 -8.500 1.00 0.00 N ATOM 895 CD2 HIS A 55 22.940 3.389 -6.873 1.00 0.00 C ATOM 896 CE1 HIS A 55 23.518 3.302 -8.983 1.00 0.00 C ATOM 897 NE2 HIS A 55 23.137 4.118 -8.019 1.00 0.00 N ATOM 0 H HIS A 55 23.643 -1.087 -4.833 1.00 0.00 H new ATOM 0 HA HIS A 55 24.314 -0.611 -7.488 1.00 0.00 H new ATOM 0 HB2 HIS A 55 22.286 0.298 -6.509 1.00 0.00 H new ATOM 0 HB3 HIS A 55 23.178 1.148 -5.263 1.00 0.00 H new ATOM 0 HD2 HIS A 55 22.623 3.774 -5.915 1.00 0.00 H new ATOM 0 HE1 HIS A 55 23.748 3.589 -9.998 1.00 0.00 H new ATOM 0 HE2 HIS A 55 23.010 5.126 -8.110 1.00 0.00 H new ATOM 906 N LYS A 56 26.222 1.052 -5.355 1.00 0.00 N ATOM 907 CA LYS A 56 27.468 1.818 -5.186 1.00 0.00 C ATOM 908 C LYS A 56 28.668 1.015 -5.726 1.00 0.00 C ATOM 909 O LYS A 56 29.310 1.435 -6.694 1.00 0.00 O ATOM 910 CB LYS A 56 27.688 2.179 -3.691 1.00 0.00 C ATOM 911 CG LYS A 56 28.991 2.971 -3.401 1.00 0.00 C ATOM 912 CD LYS A 56 29.207 3.246 -1.895 1.00 0.00 C ATOM 913 CE LYS A 56 30.480 4.073 -1.617 1.00 0.00 C ATOM 914 NZ LYS A 56 31.714 3.372 -2.053 1.00 0.00 N ATOM 0 H LYS A 56 25.762 0.819 -4.475 1.00 0.00 H new ATOM 0 HA LYS A 56 27.384 2.744 -5.755 1.00 0.00 H new ATOM 0 HB2 LYS A 56 26.837 2.765 -3.344 1.00 0.00 H new ATOM 0 HB3 LYS A 56 27.700 1.259 -3.107 1.00 0.00 H new ATOM 0 HG2 LYS A 56 29.843 2.413 -3.789 1.00 0.00 H new ATOM 0 HG3 LYS A 56 28.960 3.919 -3.937 1.00 0.00 H new ATOM 0 HD2 LYS A 56 28.341 3.776 -1.499 1.00 0.00 H new ATOM 0 HD3 LYS A 56 29.271 2.297 -1.362 1.00 0.00 H new ATOM 0 HE2 LYS A 56 30.408 5.031 -2.132 1.00 0.00 H new ATOM 0 HE3 LYS A 56 30.545 4.289 -0.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 32.470 3.536 -1.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 31.526 2.352 -2.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 32.011 3.737 -2.980 1.00 0.00 H new ATOM 928 N LEU A 57 28.907 -0.175 -5.127 1.00 0.00 N ATOM 929 CA LEU A 57 30.112 -0.985 -5.397 1.00 0.00 C ATOM 930 C LEU A 57 30.121 -1.568 -6.820 1.00 0.00 C ATOM 931 O LEU A 57 31.186 -1.765 -7.376 1.00 0.00 O ATOM 932 CB LEU A 57 30.303 -2.085 -4.299 1.00 0.00 C ATOM 933 CG LEU A 57 29.143 -3.133 -4.059 1.00 0.00 C ATOM 934 CD1 LEU A 57 29.098 -4.263 -5.114 1.00 0.00 C ATOM 935 CD2 LEU A 57 29.216 -3.729 -2.632 1.00 0.00 C ATOM 0 H LEU A 57 28.273 -0.596 -4.448 1.00 0.00 H new ATOM 0 HA LEU A 57 30.973 -0.318 -5.345 1.00 0.00 H new ATOM 0 HB2 LEU A 57 31.206 -2.643 -4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 57 30.490 -1.577 -3.353 1.00 0.00 H new ATOM 0 HG LEU A 57 28.214 -2.573 -4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 57 28.278 -4.943 -4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 57 28.945 -3.831 -6.103 1.00 0.00 H new ATOM 0 HD13 LEU A 57 30.039 -4.812 -5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 57 28.407 -4.446 -2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 57 30.173 -4.232 -2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 57 29.120 -2.929 -1.898 1.00 0.00 H new ATOM 947 N LYS A 58 28.927 -1.822 -7.394 1.00 0.00 N ATOM 948 CA LYS A 58 28.778 -2.371 -8.766 1.00 0.00 C ATOM 949 C LYS A 58 29.358 -1.400 -9.802 1.00 0.00 C ATOM 950 O LYS A 58 30.198 -1.785 -10.627 1.00 0.00 O ATOM 951 CB LYS A 58 27.278 -2.664 -9.090 1.00 0.00 C ATOM 952 CG LYS A 58 26.733 -4.004 -8.536 1.00 0.00 C ATOM 953 CD LYS A 58 25.184 -4.121 -8.627 1.00 0.00 C ATOM 954 CE LYS A 58 24.619 -3.849 -10.037 1.00 0.00 C ATOM 955 NZ LYS A 58 25.210 -4.740 -11.067 1.00 0.00 N ATOM 0 H LYS A 58 28.038 -1.654 -6.924 1.00 0.00 H new ATOM 0 HA LYS A 58 29.332 -3.309 -8.813 1.00 0.00 H new ATOM 0 HB2 LYS A 58 26.671 -1.851 -8.691 1.00 0.00 H new ATOM 0 HB3 LYS A 58 27.149 -2.657 -10.172 1.00 0.00 H new ATOM 0 HG2 LYS A 58 27.186 -4.828 -9.087 1.00 0.00 H new ATOM 0 HG3 LYS A 58 27.038 -4.110 -7.495 1.00 0.00 H new ATOM 0 HD2 LYS A 58 24.886 -5.121 -8.313 1.00 0.00 H new ATOM 0 HD3 LYS A 58 24.734 -3.419 -7.924 1.00 0.00 H new ATOM 0 HE2 LYS A 58 23.537 -3.982 -10.023 1.00 0.00 H new ATOM 0 HE3 LYS A 58 24.809 -2.810 -10.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 24.798 -4.518 -11.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 26.239 -4.596 -11.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 25.007 -5.731 -10.826 1.00 0.00 H new ATOM 969 N MET A 59 28.909 -0.140 -9.728 1.00 0.00 N ATOM 970 CA MET A 59 29.344 0.902 -10.666 1.00 0.00 C ATOM 971 C MET A 59 30.784 1.358 -10.331 1.00 0.00 C ATOM 972 O MET A 59 31.555 1.692 -11.221 1.00 0.00 O ATOM 973 CB MET A 59 28.347 2.092 -10.661 1.00 0.00 C ATOM 974 CG MET A 59 28.502 3.067 -11.840 1.00 0.00 C ATOM 975 SD MET A 59 27.289 4.415 -11.819 1.00 0.00 S ATOM 976 CE MET A 59 25.752 3.546 -12.147 1.00 0.00 C ATOM 0 H MET A 59 28.243 0.182 -9.026 1.00 0.00 H new ATOM 0 HA MET A 59 29.353 0.489 -11.675 1.00 0.00 H new ATOM 0 HB2 MET A 59 27.331 1.697 -10.666 1.00 0.00 H new ATOM 0 HB3 MET A 59 28.469 2.646 -9.731 1.00 0.00 H new ATOM 0 HG2 MET A 59 29.506 3.491 -11.823 1.00 0.00 H new ATOM 0 HG3 MET A 59 28.405 2.515 -12.775 1.00 0.00 H new ATOM 0 HE1 MET A 59 24.967 4.268 -12.372 1.00 0.00 H new ATOM 0 HE2 MET A 59 25.886 2.879 -12.998 1.00 0.00 H new ATOM 0 HE3 MET A 59 25.469 2.963 -11.270 1.00 0.00 H new ATOM 986 N GLU A 60 31.141 1.318 -9.036 1.00 0.00 N ATOM 987 CA GLU A 60 32.468 1.751 -8.544 1.00 0.00 C ATOM 988 C GLU A 60 33.595 0.816 -9.048 1.00 0.00 C ATOM 989 O GLU A 60 34.616 1.291 -9.561 1.00 0.00 O ATOM 990 CB GLU A 60 32.436 1.821 -6.990 1.00 0.00 C ATOM 991 CG GLU A 60 33.721 2.338 -6.312 1.00 0.00 C ATOM 992 CD GLU A 60 33.519 2.624 -4.804 1.00 0.00 C ATOM 993 OE1 GLU A 60 33.649 1.697 -3.978 1.00 0.00 O ATOM 994 OE2 GLU A 60 33.200 3.786 -4.447 1.00 0.00 O ATOM 0 H GLU A 60 30.521 0.985 -8.298 1.00 0.00 H new ATOM 0 HA GLU A 60 32.689 2.742 -8.941 1.00 0.00 H new ATOM 0 HB2 GLU A 60 31.607 2.463 -6.692 1.00 0.00 H new ATOM 0 HB3 GLU A 60 32.221 0.824 -6.605 1.00 0.00 H new ATOM 0 HG2 GLU A 60 34.515 1.602 -6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 60 34.050 3.249 -6.811 1.00 0.00 H new ATOM 1001 N LYS A 61 33.366 -0.512 -8.940 1.00 0.00 N ATOM 1002 CA LYS A 61 34.375 -1.533 -9.305 1.00 0.00 C ATOM 1003 C LYS A 61 34.544 -1.625 -10.829 1.00 0.00 C ATOM 1004 O LYS A 61 35.665 -1.813 -11.320 1.00 0.00 O ATOM 1005 CB LYS A 61 34.006 -2.931 -8.732 1.00 0.00 C ATOM 1006 CG LYS A 61 32.721 -3.568 -9.320 1.00 0.00 C ATOM 1007 CD LYS A 61 32.369 -4.934 -8.698 1.00 0.00 C ATOM 1008 CE LYS A 61 33.364 -6.050 -9.080 1.00 0.00 C ATOM 1009 NZ LYS A 61 33.008 -7.344 -8.450 1.00 0.00 N ATOM 0 H LYS A 61 32.487 -0.904 -8.601 1.00 0.00 H new ATOM 0 HA LYS A 61 35.321 -1.218 -8.864 1.00 0.00 H new ATOM 0 HB2 LYS A 61 34.841 -3.609 -8.907 1.00 0.00 H new ATOM 0 HB3 LYS A 61 33.887 -2.843 -7.652 1.00 0.00 H new ATOM 0 HG2 LYS A 61 31.885 -2.884 -9.171 1.00 0.00 H new ATOM 0 HG3 LYS A 61 32.845 -3.689 -10.396 1.00 0.00 H new ATOM 0 HD2 LYS A 61 32.342 -4.836 -7.613 1.00 0.00 H new ATOM 0 HD3 LYS A 61 31.368 -5.224 -9.017 1.00 0.00 H new ATOM 0 HE2 LYS A 61 33.382 -6.166 -10.164 1.00 0.00 H new ATOM 0 HE3 LYS A 61 34.369 -5.761 -8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 33.699 -8.068 -8.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 33.016 -7.240 -7.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 32.059 -7.632 -8.762 1.00 0.00 H new ATOM 1023 N GLU A 62 33.418 -1.491 -11.573 1.00 0.00 N ATOM 1024 CA GLU A 62 33.433 -1.593 -13.040 1.00 0.00 C ATOM 1025 C GLU A 62 34.176 -0.388 -13.625 1.00 0.00 C ATOM 1026 O GLU A 62 34.897 -0.535 -14.585 1.00 0.00 O ATOM 1027 CB GLU A 62 32.000 -1.716 -13.642 1.00 0.00 C ATOM 1028 CG GLU A 62 31.153 -0.427 -13.606 1.00 0.00 C ATOM 1029 CD GLU A 62 29.750 -0.590 -14.203 1.00 0.00 C ATOM 1030 OE1 GLU A 62 28.897 -1.242 -13.561 1.00 0.00 O ATOM 1031 OE2 GLU A 62 29.489 -0.068 -15.312 1.00 0.00 O ATOM 0 H GLU A 62 32.495 -1.313 -11.176 1.00 0.00 H new ATOM 0 HA GLU A 62 33.957 -2.510 -13.311 1.00 0.00 H new ATOM 0 HB2 GLU A 62 32.087 -2.045 -14.678 1.00 0.00 H new ATOM 0 HB3 GLU A 62 31.464 -2.498 -13.103 1.00 0.00 H new ATOM 0 HG2 GLU A 62 31.061 -0.093 -12.573 1.00 0.00 H new ATOM 0 HG3 GLU A 62 31.680 0.358 -14.149 1.00 0.00 H new ATOM 1038 N ARG A 63 34.006 0.797 -12.997 1.00 0.00 N ATOM 1039 CA ARG A 63 34.688 2.041 -13.409 1.00 0.00 C ATOM 1040 C ARG A 63 36.189 1.984 -13.077 1.00 0.00 C ATOM 1041 O ARG A 63 37.009 2.534 -13.815 1.00 0.00 O ATOM 1042 CB ARG A 63 34.004 3.273 -12.757 1.00 0.00 C ATOM 1043 CG ARG A 63 32.678 3.693 -13.429 1.00 0.00 C ATOM 1044 CD ARG A 63 32.000 4.866 -12.702 1.00 0.00 C ATOM 1045 NE ARG A 63 31.693 4.550 -11.292 1.00 0.00 N ATOM 1046 CZ ARG A 63 30.954 5.304 -10.465 1.00 0.00 C ATOM 1047 NH1 ARG A 63 30.406 6.446 -10.872 1.00 0.00 N ATOM 1048 NH2 ARG A 63 30.753 4.891 -9.221 1.00 0.00 N ATOM 0 H ARG A 63 33.392 0.916 -12.191 1.00 0.00 H new ATOM 0 HA ARG A 63 34.601 2.142 -14.491 1.00 0.00 H new ATOM 0 HB2 ARG A 63 33.812 3.054 -11.707 1.00 0.00 H new ATOM 0 HB3 ARG A 63 34.695 4.115 -12.786 1.00 0.00 H new ATOM 0 HG2 ARG A 63 32.871 3.973 -14.464 1.00 0.00 H new ATOM 0 HG3 ARG A 63 31.999 2.841 -13.451 1.00 0.00 H new ATOM 0 HD2 ARG A 63 32.650 5.740 -12.743 1.00 0.00 H new ATOM 0 HD3 ARG A 63 31.079 5.129 -13.222 1.00 0.00 H new ATOM 0 HE ARG A 63 32.076 3.683 -10.915 1.00 0.00 H new ATOM 0 HH11 ARG A 63 30.544 6.765 -11.831 1.00 0.00 H new ATOM 0 HH12 ARG A 63 29.848 7.003 -10.225 1.00 0.00 H new ATOM 0 HH21 ARG A 63 31.158 4.010 -8.904 1.00 0.00 H new ATOM 0 HH22 ARG A 63 30.193 5.454 -8.581 1.00 0.00 H new ATOM 1062 N ASN A 64 36.535 1.289 -11.981 1.00 0.00 N ATOM 1063 CA ASN A 64 37.938 1.072 -11.582 1.00 0.00 C ATOM 1064 C ASN A 64 38.669 0.203 -12.634 1.00 0.00 C ATOM 1065 O ASN A 64 39.858 0.405 -12.895 1.00 0.00 O ATOM 1066 CB ASN A 64 37.990 0.422 -10.173 1.00 0.00 C ATOM 1067 CG ASN A 64 39.412 0.258 -9.624 1.00 0.00 C ATOM 1068 OD1 ASN A 64 39.964 1.174 -9.022 1.00 0.00 O ATOM 1069 ND2 ASN A 64 40.011 -0.908 -9.814 1.00 0.00 N ATOM 0 H ASN A 64 35.856 0.864 -11.349 1.00 0.00 H new ATOM 0 HA ASN A 64 38.452 2.032 -11.533 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.410 1.031 -9.480 1.00 0.00 H new ATOM 0 HB3 ASN A 64 37.511 -0.556 -10.216 1.00 0.00 H new ATOM 0 HD21 ASN A 64 40.954 -1.061 -9.456 1.00 0.00 H new ATOM 0 HD22 ASN A 64 39.529 -1.653 -10.318 1.00 0.00 H new