USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 622 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 33 SER OG : rot -43:sc= 0.289 USER MOD Set 1.2: A 37 ASN : amide:sc= -0.38 X(o=-0.092,f=-0.4) USER MOD Single : A 1 TRP N :NH3+ 165:sc= 0.395 (180deg=0.174) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -160:sc= -0.112 (180deg=-0.695) USER MOD Single : A 8 THR OG1 : rot 73:sc= 0.658 USER MOD Single : A 10 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00103) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -0.192 F(o=-1.7!,f=-0.19) USER MOD Single : A 19 ASN : amide:sc= -0.421 K(o=-0.42,f=-5.8!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -148:sc= 0 (180deg=-0.325) USER MOD Single : A 29 SER OG : rot -37:sc= 0.568 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= -0.459 X(o=-0.46,f=-0.2) USER MOD Single : A 35 CYS SG : rot -69:sc= -2.76! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0364 X(o=-0.036,f=-0.089) USER MOD Single : A 42 TYR OH : rot 1:sc= 0.32 USER MOD Single : A 43 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0026) USER MOD Single : A 44 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0373) USER MOD Single : A 46 GLN : amide:sc= -0.822 K(o=-0.82,f=-5.4!) USER MOD Single : A 47 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.052) USER MOD Single : A 53 GLN : amide:sc= -0.0293 X(o=-0.029,f=-0.28) USER MOD Single : A 54 GLN : amide:sc= -0.0577 X(o=-0.058,f=-0.36) USER MOD Single : A 55 HIS : no HD1:sc= -0.242 K(o=-0.24,f=-0.77) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00819) USER MOD Single : A 59 MET CE :methyl 164:sc= -0.0888 (180deg=-0.52) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 68 LYS NZ :NH3+ -168:sc= -0.0108 (180deg=-0.159) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 1.245 0.412 -1.511 1.00 0.00 N ATOM 2 CA TRP A 1 2.189 0.218 -2.628 1.00 0.00 C ATOM 3 C TRP A 1 2.144 -1.249 -3.094 1.00 0.00 C ATOM 4 O TRP A 1 2.592 -2.144 -2.373 1.00 0.00 O ATOM 5 CB TRP A 1 3.638 0.589 -2.208 1.00 0.00 C ATOM 6 CG TRP A 1 3.886 2.056 -1.907 1.00 0.00 C ATOM 7 CD1 TRP A 1 3.365 2.791 -0.880 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.769 2.944 -2.620 1.00 0.00 C ATOM 9 NE1 TRP A 1 3.843 4.075 -0.927 1.00 0.00 N ATOM 10 CE2 TRP A 1 4.706 4.194 -1.983 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.600 2.798 -3.738 1.00 0.00 C ATOM 12 CZ2 TRP A 1 5.436 5.296 -2.422 1.00 0.00 C ATOM 13 CZ3 TRP A 1 6.326 3.891 -4.173 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.240 5.129 -3.516 1.00 0.00 C ATOM 0 H1 TRP A 1 1.452 1.313 -1.034 1.00 0.00 H new ATOM 0 H2 TRP A 1 0.272 0.430 -1.878 1.00 0.00 H new ATOM 0 H3 TRP A 1 1.345 -0.370 -0.832 1.00 0.00 H new ATOM 0 HA TRP A 1 1.892 0.875 -3.446 1.00 0.00 H new ATOM 0 HB2 TRP A 1 3.900 0.007 -1.324 1.00 0.00 H new ATOM 0 HB3 TRP A 1 4.316 0.282 -3.004 1.00 0.00 H new ATOM 0 HD1 TRP A 1 2.676 2.415 -0.138 1.00 0.00 H new ATOM 0 HE1 TRP A 1 3.595 4.822 -0.279 1.00 0.00 H new ATOM 0 HE3 TRP A 1 5.672 1.850 -4.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 5.370 6.248 -1.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 6.971 3.791 -5.034 1.00 0.00 H new ATOM 0 HH2 TRP A 1 6.819 5.964 -3.881 1.00 0.00 H new ATOM 25 N THR A 2 1.580 -1.482 -4.290 1.00 0.00 N ATOM 26 CA THR A 2 1.624 -2.792 -4.968 1.00 0.00 C ATOM 27 C THR A 2 3.073 -3.099 -5.422 1.00 0.00 C ATOM 28 O THR A 2 3.855 -2.170 -5.658 1.00 0.00 O ATOM 29 CB THR A 2 0.643 -2.802 -6.191 1.00 0.00 C ATOM 30 OG1 THR A 2 -0.661 -2.393 -5.751 1.00 0.00 O ATOM 31 CG2 THR A 2 0.540 -4.181 -6.878 1.00 0.00 C ATOM 0 H THR A 2 1.079 -0.767 -4.817 1.00 0.00 H new ATOM 0 HA THR A 2 1.306 -3.568 -4.271 1.00 0.00 H new ATOM 0 HB THR A 2 1.045 -2.109 -6.930 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.279 -2.396 -6.512 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.154 -4.119 -7.716 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.523 -4.480 -7.243 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.179 -4.919 -6.161 1.00 0.00 H new ATOM 39 N GLU A 3 3.418 -4.400 -5.536 1.00 0.00 N ATOM 40 CA GLU A 3 4.765 -4.872 -5.950 1.00 0.00 C ATOM 41 C GLU A 3 5.250 -4.256 -7.293 1.00 0.00 C ATOM 42 O GLU A 3 6.454 -4.280 -7.585 1.00 0.00 O ATOM 43 CB GLU A 3 4.800 -6.420 -6.019 1.00 0.00 C ATOM 44 CG GLU A 3 4.591 -7.124 -4.664 1.00 0.00 C ATOM 45 CD GLU A 3 4.626 -8.660 -4.769 1.00 0.00 C ATOM 46 OE1 GLU A 3 5.733 -9.234 -4.875 1.00 0.00 O ATOM 47 OE2 GLU A 3 3.550 -9.301 -4.747 1.00 0.00 O ATOM 0 H GLU A 3 2.767 -5.161 -5.343 1.00 0.00 H new ATOM 0 HA GLU A 3 5.460 -4.526 -5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.030 -6.758 -6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.760 -6.731 -6.432 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.363 -6.796 -3.968 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.633 -6.816 -4.245 1.00 0.00 H new ATOM 54 N GLU A 4 4.307 -3.735 -8.101 1.00 0.00 N ATOM 55 CA GLU A 4 4.611 -3.045 -9.370 1.00 0.00 C ATOM 56 C GLU A 4 5.437 -1.759 -9.115 1.00 0.00 C ATOM 57 O GLU A 4 6.554 -1.608 -9.630 1.00 0.00 O ATOM 58 CB GLU A 4 3.290 -2.698 -10.104 1.00 0.00 C ATOM 59 CG GLU A 4 2.324 -3.888 -10.310 1.00 0.00 C ATOM 60 CD GLU A 4 2.954 -5.072 -11.068 1.00 0.00 C ATOM 61 OE1 GLU A 4 3.080 -4.988 -12.308 1.00 0.00 O ATOM 62 OE2 GLU A 4 3.327 -6.082 -10.429 1.00 0.00 O ATOM 0 H GLU A 4 3.310 -3.781 -7.892 1.00 0.00 H new ATOM 0 HA GLU A 4 5.207 -3.710 -9.995 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.772 -1.922 -9.540 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.534 -2.275 -11.078 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.976 -4.235 -9.337 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.447 -3.542 -10.858 1.00 0.00 H new ATOM 69 N GLU A 5 4.882 -0.854 -8.288 1.00 0.00 N ATOM 70 CA GLU A 5 5.541 0.426 -7.933 1.00 0.00 C ATOM 71 C GLU A 5 6.649 0.206 -6.901 1.00 0.00 C ATOM 72 O GLU A 5 7.594 0.987 -6.843 1.00 0.00 O ATOM 73 CB GLU A 5 4.531 1.509 -7.436 1.00 0.00 C ATOM 74 CG GLU A 5 3.609 1.091 -6.250 1.00 0.00 C ATOM 75 CD GLU A 5 2.206 0.598 -6.677 1.00 0.00 C ATOM 76 OE1 GLU A 5 2.113 -0.214 -7.622 1.00 0.00 O ATOM 77 OE2 GLU A 5 1.192 1.009 -6.061 1.00 0.00 O ATOM 0 H GLU A 5 3.971 -0.983 -7.848 1.00 0.00 H new ATOM 0 HA GLU A 5 5.988 0.808 -8.851 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.094 2.393 -7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.900 1.801 -8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.102 0.301 -5.683 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.493 1.941 -5.578 1.00 0.00 H new ATOM 84 N MET A 6 6.500 -0.837 -6.063 1.00 0.00 N ATOM 85 CA MET A 6 7.559 -1.275 -5.125 1.00 0.00 C ATOM 86 C MET A 6 8.815 -1.719 -5.890 1.00 0.00 C ATOM 87 O MET A 6 9.937 -1.463 -5.452 1.00 0.00 O ATOM 88 CB MET A 6 7.068 -2.441 -4.225 1.00 0.00 C ATOM 89 CG MET A 6 6.054 -2.040 -3.146 1.00 0.00 C ATOM 90 SD MET A 6 6.712 -0.823 -1.985 1.00 0.00 S ATOM 91 CE MET A 6 8.141 -1.681 -1.325 1.00 0.00 C ATOM 0 H MET A 6 5.650 -1.398 -6.014 1.00 0.00 H new ATOM 0 HA MET A 6 7.804 -0.422 -4.493 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.619 -3.206 -4.859 1.00 0.00 H new ATOM 0 HB3 MET A 6 7.932 -2.895 -3.740 1.00 0.00 H new ATOM 0 HG2 MET A 6 5.163 -1.634 -3.624 1.00 0.00 H new ATOM 0 HG3 MET A 6 5.744 -2.929 -2.597 1.00 0.00 H new ATOM 0 HE1 MET A 6 8.430 -1.230 -0.376 1.00 0.00 H new ATOM 0 HE2 MET A 6 7.894 -2.731 -1.167 1.00 0.00 H new ATOM 0 HE3 MET A 6 8.969 -1.605 -2.030 1.00 0.00 H new ATOM 101 N GLY A 7 8.595 -2.396 -7.031 1.00 0.00 N ATOM 102 CA GLY A 7 9.672 -2.827 -7.916 1.00 0.00 C ATOM 103 C GLY A 7 10.333 -1.659 -8.633 1.00 0.00 C ATOM 104 O GLY A 7 11.553 -1.623 -8.761 1.00 0.00 O ATOM 0 H GLY A 7 7.664 -2.655 -7.358 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.422 -3.366 -7.337 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.276 -3.526 -8.653 1.00 0.00 H new ATOM 108 N THR A 8 9.512 -0.695 -9.087 1.00 0.00 N ATOM 109 CA THR A 8 9.995 0.535 -9.746 1.00 0.00 C ATOM 110 C THR A 8 10.733 1.443 -8.734 1.00 0.00 C ATOM 111 O THR A 8 11.669 2.162 -9.101 1.00 0.00 O ATOM 112 CB THR A 8 8.809 1.313 -10.406 1.00 0.00 C ATOM 113 OG1 THR A 8 7.996 0.394 -11.153 1.00 0.00 O ATOM 114 CG2 THR A 8 9.288 2.435 -11.351 1.00 0.00 C ATOM 0 H THR A 8 8.496 -0.745 -9.008 1.00 0.00 H new ATOM 0 HA THR A 8 10.696 0.245 -10.529 1.00 0.00 H new ATOM 0 HB THR A 8 8.240 1.778 -9.601 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.475 -0.160 -10.534 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.424 2.942 -11.781 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.887 3.152 -10.790 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.891 2.005 -12.150 1.00 0.00 H new ATOM 122 N ALA A 9 10.307 1.376 -7.452 1.00 0.00 N ATOM 123 CA ALA A 9 10.927 2.142 -6.350 1.00 0.00 C ATOM 124 C ALA A 9 12.295 1.547 -6.025 1.00 0.00 C ATOM 125 O ALA A 9 13.283 2.263 -5.963 1.00 0.00 O ATOM 126 CB ALA A 9 10.019 2.154 -5.102 1.00 0.00 C ATOM 0 H ALA A 9 9.526 0.791 -7.154 1.00 0.00 H new ATOM 0 HA ALA A 9 11.055 3.177 -6.667 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.500 2.724 -4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.063 2.615 -5.352 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.851 1.131 -4.764 1.00 0.00 H new ATOM 132 N LYS A 10 12.314 0.214 -5.864 1.00 0.00 N ATOM 133 CA LYS A 10 13.536 -0.586 -5.632 1.00 0.00 C ATOM 134 C LYS A 10 14.546 -0.371 -6.776 1.00 0.00 C ATOM 135 O LYS A 10 15.749 -0.254 -6.534 1.00 0.00 O ATOM 136 CB LYS A 10 13.139 -2.098 -5.459 1.00 0.00 C ATOM 137 CG LYS A 10 14.300 -3.138 -5.344 1.00 0.00 C ATOM 138 CD LYS A 10 14.841 -3.621 -6.721 1.00 0.00 C ATOM 139 CE LYS A 10 16.023 -4.600 -6.592 1.00 0.00 C ATOM 140 NZ LYS A 10 15.613 -5.890 -5.983 1.00 0.00 N ATOM 0 H LYS A 10 11.466 -0.352 -5.891 1.00 0.00 H new ATOM 0 HA LYS A 10 14.028 -0.260 -4.715 1.00 0.00 H new ATOM 0 HB2 LYS A 10 12.520 -2.184 -4.566 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.515 -2.382 -6.307 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.118 -2.695 -4.776 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.949 -4.001 -4.778 1.00 0.00 H new ATOM 0 HD2 LYS A 10 14.035 -4.104 -7.273 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.154 -2.756 -7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 10 16.450 -4.784 -7.578 1.00 0.00 H new ATOM 0 HE3 LYS A 10 16.806 -4.145 -5.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 16.434 -6.526 -5.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.244 -5.720 -5.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 14.872 -6.329 -6.566 1.00 0.00 H new ATOM 154 N LYS A 11 14.020 -0.317 -8.018 1.00 0.00 N ATOM 155 CA LYS A 11 14.816 -0.043 -9.233 1.00 0.00 C ATOM 156 C LYS A 11 15.410 1.368 -9.152 1.00 0.00 C ATOM 157 O LYS A 11 16.592 1.558 -9.433 1.00 0.00 O ATOM 158 CB LYS A 11 13.940 -0.202 -10.518 1.00 0.00 C ATOM 159 CG LYS A 11 14.577 0.304 -11.844 1.00 0.00 C ATOM 160 CD LYS A 11 15.962 -0.321 -12.153 1.00 0.00 C ATOM 161 CE LYS A 11 16.579 0.211 -13.459 1.00 0.00 C ATOM 162 NZ LYS A 11 17.961 -0.289 -13.668 1.00 0.00 N ATOM 0 H LYS A 11 13.028 -0.463 -8.207 1.00 0.00 H new ATOM 0 HA LYS A 11 15.629 -0.767 -9.293 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.692 -1.257 -10.636 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.002 0.331 -10.362 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.898 0.085 -12.668 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.681 1.388 -11.796 1.00 0.00 H new ATOM 0 HD2 LYS A 11 16.641 -0.115 -11.326 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.860 -1.404 -12.220 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.955 -0.087 -14.302 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.588 1.301 -13.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 18.338 0.094 -14.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.564 0.016 -12.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 17.951 -1.328 -13.715 1.00 0.00 H new ATOM 176 N GLY A 12 14.575 2.336 -8.736 1.00 0.00 N ATOM 177 CA GLY A 12 15.014 3.712 -8.553 1.00 0.00 C ATOM 178 C GLY A 12 16.119 3.838 -7.515 1.00 0.00 C ATOM 179 O GLY A 12 17.069 4.582 -7.695 1.00 0.00 O ATOM 0 H GLY A 12 13.590 2.180 -8.522 1.00 0.00 H new ATOM 0 HA2 GLY A 12 15.368 4.107 -9.505 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.164 4.324 -8.250 1.00 0.00 H new ATOM 183 N LEU A 13 15.994 3.072 -6.440 1.00 0.00 N ATOM 184 CA LEU A 13 16.937 3.080 -5.315 1.00 0.00 C ATOM 185 C LEU A 13 18.234 2.306 -5.683 1.00 0.00 C ATOM 186 O LEU A 13 19.309 2.568 -5.132 1.00 0.00 O ATOM 187 CB LEU A 13 16.205 2.497 -4.075 1.00 0.00 C ATOM 188 CG LEU A 13 14.979 3.356 -3.569 1.00 0.00 C ATOM 189 CD1 LEU A 13 13.996 2.529 -2.706 1.00 0.00 C ATOM 190 CD2 LEU A 13 15.454 4.618 -2.809 1.00 0.00 C ATOM 0 H LEU A 13 15.224 2.415 -6.317 1.00 0.00 H new ATOM 0 HA LEU A 13 17.259 4.094 -5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.854 1.494 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 13 16.922 2.397 -3.260 1.00 0.00 H new ATOM 0 HG LEU A 13 14.434 3.676 -4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.172 3.165 -2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.605 1.699 -3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.518 2.140 -1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.588 5.188 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 13 16.049 4.320 -1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 13 16.060 5.235 -3.472 1.00 0.00 H new ATOM 202 N LEU A 14 18.106 1.345 -6.620 1.00 0.00 N ATOM 203 CA LEU A 14 19.242 0.589 -7.203 1.00 0.00 C ATOM 204 C LEU A 14 19.969 1.397 -8.311 1.00 0.00 C ATOM 205 O LEU A 14 21.131 1.123 -8.617 1.00 0.00 O ATOM 206 CB LEU A 14 18.753 -0.783 -7.754 1.00 0.00 C ATOM 207 CG LEU A 14 19.864 -1.818 -8.138 1.00 0.00 C ATOM 208 CD1 LEU A 14 20.717 -2.227 -6.914 1.00 0.00 C ATOM 209 CD2 LEU A 14 19.259 -3.055 -8.843 1.00 0.00 C ATOM 0 H LEU A 14 17.202 1.066 -7.000 1.00 0.00 H new ATOM 0 HA LEU A 14 19.964 0.413 -6.406 1.00 0.00 H new ATOM 0 HB2 LEU A 14 18.105 -1.240 -7.006 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.140 -0.598 -8.636 1.00 0.00 H new ATOM 0 HG LEU A 14 20.533 -1.327 -8.845 1.00 0.00 H new ATOM 0 HD11 LEU A 14 21.476 -2.946 -7.223 1.00 0.00 H new ATOM 0 HD12 LEU A 14 21.202 -1.344 -6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 14 20.075 -2.679 -6.158 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.055 -3.755 -9.097 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.547 -3.542 -8.176 1.00 0.00 H new ATOM 0 HD23 LEU A 14 18.748 -2.741 -9.753 1.00 0.00 H new ATOM 221 N GLU A 15 19.259 2.350 -8.951 1.00 0.00 N ATOM 222 CA GLU A 15 19.774 3.110 -10.123 1.00 0.00 C ATOM 223 C GLU A 15 20.082 4.577 -9.755 1.00 0.00 C ATOM 224 O GLU A 15 21.237 5.014 -9.799 1.00 0.00 O ATOM 225 CB GLU A 15 18.723 3.047 -11.274 1.00 0.00 C ATOM 226 CG GLU A 15 19.091 3.830 -12.551 1.00 0.00 C ATOM 227 CD GLU A 15 18.009 3.738 -13.644 1.00 0.00 C ATOM 228 OE1 GLU A 15 16.962 4.410 -13.514 1.00 0.00 O ATOM 229 OE2 GLU A 15 18.195 2.992 -14.630 1.00 0.00 O ATOM 0 H GLU A 15 18.314 2.618 -8.675 1.00 0.00 H new ATOM 0 HA GLU A 15 20.708 2.655 -10.451 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.565 2.002 -11.542 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.773 3.426 -10.897 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.253 4.877 -12.295 1.00 0.00 H new ATOM 0 HG3 GLU A 15 20.033 3.449 -12.946 1.00 0.00 H new ATOM 236 N HIS A 16 19.027 5.325 -9.385 1.00 0.00 N ATOM 237 CA HIS A 16 19.128 6.756 -8.981 1.00 0.00 C ATOM 238 C HIS A 16 19.674 6.882 -7.547 1.00 0.00 C ATOM 239 O HIS A 16 20.084 7.968 -7.123 1.00 0.00 O ATOM 240 CB HIS A 16 17.744 7.452 -9.069 1.00 0.00 C ATOM 241 CG HIS A 16 17.064 7.351 -10.403 1.00 0.00 C ATOM 242 ND1 HIS A 16 16.199 6.432 -10.886 1.00 0.00 N flip ATOM 243 CD2 HIS A 16 17.222 8.279 -11.403 1.00 0.00 C flip ATOM 244 CE1 HIS A 16 15.853 6.820 -12.150 1.00 0.00 C flip ATOM 245 NE2 HIS A 16 16.481 7.942 -12.435 1.00 0.00 N flip ATOM 0 H HIS A 16 18.074 4.962 -9.355 1.00 0.00 H new ATOM 0 HA HIS A 16 19.817 7.246 -9.669 1.00 0.00 H new ATOM 0 HB2 HIS A 16 17.089 7.021 -8.311 1.00 0.00 H new ATOM 0 HB3 HIS A 16 17.868 8.506 -8.821 1.00 0.00 H new ATOM 0 HD2 HIS A 16 17.857 9.151 -11.350 1.00 0.00 H new ATOM 0 HE1 HIS A 16 15.176 6.293 -12.807 1.00 0.00 H new ATOM 0 HE2 HIS A 16 16.405 8.462 -13.309 1.00 0.00 H new ATOM 254 N GLY A 17 19.631 5.764 -6.806 1.00 0.00 N ATOM 255 CA GLY A 17 20.193 5.684 -5.461 1.00 0.00 C ATOM 256 C GLY A 17 19.246 6.193 -4.386 1.00 0.00 C ATOM 257 O GLY A 17 18.027 6.095 -4.523 1.00 0.00 O ATOM 0 H GLY A 17 19.205 4.895 -7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 17 20.455 4.648 -5.245 1.00 0.00 H new ATOM 0 HA3 GLY A 17 21.117 6.261 -5.425 1.00 0.00 H new ATOM 261 N ARG A 18 19.824 6.775 -3.329 1.00 0.00 N ATOM 262 CA ARG A 18 19.094 7.211 -2.123 1.00 0.00 C ATOM 263 C ARG A 18 18.440 8.594 -2.320 1.00 0.00 C ATOM 264 O ARG A 18 17.730 9.068 -1.438 1.00 0.00 O ATOM 265 CB ARG A 18 20.088 7.228 -0.929 1.00 0.00 C ATOM 266 CG ARG A 18 19.458 7.419 0.471 1.00 0.00 C ATOM 267 CD ARG A 18 20.514 7.429 1.577 1.00 0.00 C ATOM 268 NE ARG A 18 19.973 7.728 2.911 1.00 0.00 N ATOM 269 CZ ARG A 18 20.708 7.756 4.034 1.00 0.00 C ATOM 270 NH1 ARG A 18 22.016 7.506 4.004 1.00 0.00 N ATOM 271 NH2 ARG A 18 20.131 8.030 5.184 1.00 0.00 N ATOM 0 H ARG A 18 20.826 6.961 -3.282 1.00 0.00 H new ATOM 0 HA ARG A 18 18.282 6.512 -1.921 1.00 0.00 H new ATOM 0 HB2 ARG A 18 20.644 6.291 -0.931 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.810 8.028 -1.094 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.901 8.355 0.493 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.743 6.618 0.659 1.00 0.00 H new ATOM 0 HD2 ARG A 18 21.007 6.457 1.605 1.00 0.00 H new ATOM 0 HD3 ARG A 18 21.277 8.167 1.331 1.00 0.00 H new ATOM 0 HE ARG A 18 18.976 7.927 2.988 1.00 0.00 H new ATOM 0 HH11 ARG A 18 22.474 7.289 3.119 1.00 0.00 H new ATOM 0 HH12 ARG A 18 22.560 7.531 4.866 1.00 0.00 H new ATOM 0 HH21 ARG A 18 19.129 8.220 5.220 1.00 0.00 H new ATOM 0 HH22 ARG A 18 20.685 8.052 6.040 1.00 0.00 H new ATOM 285 N ASN A 19 18.658 9.211 -3.507 1.00 0.00 N ATOM 286 CA ASN A 19 18.171 10.567 -3.825 1.00 0.00 C ATOM 287 C ASN A 19 16.629 10.578 -3.799 1.00 0.00 C ATOM 288 O ASN A 19 15.991 10.287 -4.811 1.00 0.00 O ATOM 289 CB ASN A 19 18.716 11.009 -5.226 1.00 0.00 C ATOM 290 CG ASN A 19 18.416 12.473 -5.609 1.00 0.00 C ATOM 291 OD1 ASN A 19 17.474 13.094 -5.117 1.00 0.00 O ATOM 292 ND2 ASN A 19 19.189 13.018 -6.536 1.00 0.00 N ATOM 0 H ASN A 19 19.178 8.777 -4.270 1.00 0.00 H new ATOM 0 HA ASN A 19 18.533 11.276 -3.080 1.00 0.00 H new ATOM 0 HB2 ASN A 19 19.795 10.858 -5.243 1.00 0.00 H new ATOM 0 HB3 ASN A 19 18.291 10.355 -5.988 1.00 0.00 H new ATOM 0 HD21 ASN A 19 19.009 13.970 -6.855 1.00 0.00 H new ATOM 0 HD22 ASN A 19 19.965 12.486 -6.931 1.00 0.00 H new ATOM 299 N TRP A 20 16.055 10.910 -2.617 1.00 0.00 N ATOM 300 CA TRP A 20 14.600 10.856 -2.363 1.00 0.00 C ATOM 301 C TRP A 20 13.829 11.731 -3.357 1.00 0.00 C ATOM 302 O TRP A 20 12.681 11.446 -3.671 1.00 0.00 O ATOM 303 CB TRP A 20 14.258 11.318 -0.921 1.00 0.00 C ATOM 304 CG TRP A 20 14.995 10.611 0.207 1.00 0.00 C ATOM 305 CD1 TRP A 20 15.666 11.217 1.238 1.00 0.00 C ATOM 306 CD2 TRP A 20 15.132 9.190 0.433 1.00 0.00 C ATOM 307 NE1 TRP A 20 16.203 10.275 2.074 1.00 0.00 N ATOM 308 CE2 TRP A 20 15.899 9.029 1.602 1.00 0.00 C ATOM 309 CE3 TRP A 20 14.698 8.042 -0.244 1.00 0.00 C ATOM 310 CZ2 TRP A 20 16.225 7.779 2.119 1.00 0.00 C ATOM 311 CZ3 TRP A 20 15.025 6.799 0.270 1.00 0.00 C ATOM 312 CH2 TRP A 20 15.789 6.678 1.436 1.00 0.00 C ATOM 0 H TRP A 20 16.594 11.224 -1.810 1.00 0.00 H new ATOM 0 HA TRP A 20 14.300 9.816 -2.488 1.00 0.00 H new ATOM 0 HB2 TRP A 20 14.463 12.386 -0.847 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.187 11.187 -0.765 1.00 0.00 H new ATOM 0 HD1 TRP A 20 15.758 12.285 1.371 1.00 0.00 H new ATOM 0 HE1 TRP A 20 16.744 10.472 2.916 1.00 0.00 H new ATOM 0 HE3 TRP A 20 14.118 8.126 -1.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.802 7.682 3.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 14.685 5.908 -0.237 1.00 0.00 H new ATOM 0 HH2 TRP A 20 16.040 5.694 1.804 1.00 0.00 H new ATOM 323 N SER A 21 14.478 12.819 -3.806 1.00 0.00 N ATOM 324 CA SER A 21 13.919 13.742 -4.794 1.00 0.00 C ATOM 325 C SER A 21 13.777 13.041 -6.156 1.00 0.00 C ATOM 326 O SER A 21 12.732 13.140 -6.793 1.00 0.00 O ATOM 327 CB SER A 21 14.812 14.998 -4.892 1.00 0.00 C ATOM 328 OG SER A 21 14.211 16.021 -5.665 1.00 0.00 O ATOM 0 H SER A 21 15.411 13.080 -3.488 1.00 0.00 H new ATOM 0 HA SER A 21 12.923 14.055 -4.480 1.00 0.00 H new ATOM 0 HB2 SER A 21 15.018 15.375 -3.890 1.00 0.00 H new ATOM 0 HB3 SER A 21 15.771 14.727 -5.334 1.00 0.00 H new ATOM 0 HG SER A 21 14.808 16.798 -5.700 1.00 0.00 H new ATOM 334 N ALA A 22 14.818 12.297 -6.566 1.00 0.00 N ATOM 335 CA ALA A 22 14.821 11.564 -7.852 1.00 0.00 C ATOM 336 C ALA A 22 13.821 10.388 -7.836 1.00 0.00 C ATOM 337 O ALA A 22 13.185 10.099 -8.856 1.00 0.00 O ATOM 338 CB ALA A 22 16.234 11.069 -8.189 1.00 0.00 C ATOM 0 H ALA A 22 15.675 12.184 -6.025 1.00 0.00 H new ATOM 0 HA ALA A 22 14.502 12.258 -8.629 1.00 0.00 H new ATOM 0 HB1 ALA A 22 16.215 10.533 -9.138 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.909 11.921 -8.267 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.583 10.401 -7.402 1.00 0.00 H new ATOM 344 N ILE A 23 13.677 9.728 -6.669 1.00 0.00 N ATOM 345 CA ILE A 23 12.781 8.555 -6.517 1.00 0.00 C ATOM 346 C ILE A 23 11.321 9.028 -6.455 1.00 0.00 C ATOM 347 O ILE A 23 10.451 8.446 -7.089 1.00 0.00 O ATOM 348 CB ILE A 23 13.100 7.685 -5.237 1.00 0.00 C ATOM 349 CG1 ILE A 23 14.631 7.478 -5.046 1.00 0.00 C ATOM 350 CG2 ILE A 23 12.367 6.310 -5.297 1.00 0.00 C ATOM 351 CD1 ILE A 23 15.361 6.930 -6.250 1.00 0.00 C ATOM 0 H ILE A 23 14.170 9.985 -5.814 1.00 0.00 H new ATOM 0 HA ILE A 23 12.949 7.919 -7.386 1.00 0.00 H new ATOM 0 HB ILE A 23 12.729 8.237 -4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.079 8.433 -4.773 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.788 6.801 -4.207 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.604 5.732 -4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.291 6.473 -5.348 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.693 5.762 -6.181 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.420 6.822 -6.015 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.947 5.957 -6.515 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.243 7.615 -7.090 1.00 0.00 H new ATOM 363 N ALA A 24 11.079 10.118 -5.703 1.00 0.00 N ATOM 364 CA ALA A 24 9.737 10.733 -5.579 1.00 0.00 C ATOM 365 C ALA A 24 9.271 11.290 -6.930 1.00 0.00 C ATOM 366 O ALA A 24 8.088 11.327 -7.215 1.00 0.00 O ATOM 367 CB ALA A 24 9.733 11.846 -4.520 1.00 0.00 C ATOM 0 H ALA A 24 11.801 10.598 -5.166 1.00 0.00 H new ATOM 0 HA ALA A 24 9.043 9.955 -5.261 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.735 12.279 -4.451 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.015 11.429 -3.553 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.446 12.620 -4.803 1.00 0.00 H new ATOM 373 N ARG A 25 10.237 11.723 -7.746 1.00 0.00 N ATOM 374 CA ARG A 25 9.999 12.248 -9.103 1.00 0.00 C ATOM 375 C ARG A 25 9.736 11.091 -10.094 1.00 0.00 C ATOM 376 O ARG A 25 8.982 11.245 -11.063 1.00 0.00 O ATOM 377 CB ARG A 25 11.243 13.078 -9.519 1.00 0.00 C ATOM 378 CG ARG A 25 11.159 13.826 -10.863 1.00 0.00 C ATOM 379 CD ARG A 25 12.465 14.586 -11.168 1.00 0.00 C ATOM 380 NE ARG A 25 12.410 15.376 -12.418 1.00 0.00 N ATOM 381 CZ ARG A 25 13.473 15.957 -13.010 1.00 0.00 C ATOM 382 NH1 ARG A 25 14.696 15.823 -12.500 1.00 0.00 N ATOM 383 NH2 ARG A 25 13.302 16.671 -14.115 1.00 0.00 N ATOM 0 H ARG A 25 11.222 11.720 -7.483 1.00 0.00 H new ATOM 0 HA ARG A 25 9.114 12.884 -9.116 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.442 13.809 -8.735 1.00 0.00 H new ATOM 0 HB3 ARG A 25 12.102 12.408 -9.556 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.954 13.116 -11.664 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.325 14.528 -10.839 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.691 15.253 -10.336 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.285 13.871 -11.235 1.00 0.00 H new ATOM 0 HE ARG A 25 11.500 15.489 -12.865 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.837 15.275 -11.651 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.491 16.268 -12.958 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.369 16.779 -14.513 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.103 17.112 -14.566 1.00 0.00 H new ATOM 397 N MET A 26 10.372 9.933 -9.830 1.00 0.00 N ATOM 398 CA MET A 26 10.271 8.733 -10.682 1.00 0.00 C ATOM 399 C MET A 26 8.942 7.978 -10.449 1.00 0.00 C ATOM 400 O MET A 26 8.102 7.886 -11.352 1.00 0.00 O ATOM 401 CB MET A 26 11.488 7.815 -10.379 1.00 0.00 C ATOM 402 CG MET A 26 11.557 6.501 -11.165 1.00 0.00 C ATOM 403 SD MET A 26 13.005 5.527 -10.692 1.00 0.00 S ATOM 404 CE MET A 26 12.830 4.068 -11.716 1.00 0.00 C ATOM 0 H MET A 26 10.973 9.804 -9.016 1.00 0.00 H new ATOM 0 HA MET A 26 10.280 9.034 -11.730 1.00 0.00 H new ATOM 0 HB2 MET A 26 12.400 8.379 -10.574 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.482 7.578 -9.315 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.652 5.920 -10.987 1.00 0.00 H new ATOM 0 HG3 MET A 26 11.593 6.715 -12.233 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.236 3.204 -11.191 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.775 3.899 -11.931 1.00 0.00 H new ATOM 0 HE3 MET A 26 13.372 4.212 -12.651 1.00 0.00 H new ATOM 414 N VAL A 27 8.752 7.462 -9.216 1.00 0.00 N ATOM 415 CA VAL A 27 7.596 6.607 -8.860 1.00 0.00 C ATOM 416 C VAL A 27 6.388 7.431 -8.388 1.00 0.00 C ATOM 417 O VAL A 27 5.238 7.082 -8.678 1.00 0.00 O ATOM 418 CB VAL A 27 7.999 5.516 -7.789 1.00 0.00 C ATOM 419 CG1 VAL A 27 9.187 4.681 -8.314 1.00 0.00 C ATOM 420 CG2 VAL A 27 8.336 6.126 -6.399 1.00 0.00 C ATOM 0 H VAL A 27 9.393 7.625 -8.440 1.00 0.00 H new ATOM 0 HA VAL A 27 7.291 6.089 -9.770 1.00 0.00 H new ATOM 0 HB VAL A 27 7.131 4.873 -7.642 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.461 3.931 -7.572 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.902 4.186 -9.242 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.039 5.336 -8.499 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.605 5.328 -5.707 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.173 6.817 -6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.467 6.661 -6.016 1.00 0.00 H new ATOM 430 N GLY A 28 6.669 8.514 -7.643 1.00 0.00 N ATOM 431 CA GLY A 28 5.634 9.398 -7.110 1.00 0.00 C ATOM 432 C GLY A 28 5.153 10.421 -8.132 1.00 0.00 C ATOM 433 O GLY A 28 4.026 10.920 -8.029 1.00 0.00 O ATOM 0 H GLY A 28 7.618 8.795 -7.398 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.787 8.799 -6.775 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.022 9.919 -6.235 1.00 0.00 H new ATOM 437 N SER A 29 6.060 10.768 -9.086 1.00 0.00 N ATOM 438 CA SER A 29 5.856 11.829 -10.104 1.00 0.00 C ATOM 439 C SER A 29 5.716 13.230 -9.433 1.00 0.00 C ATOM 440 O SER A 29 5.262 14.194 -10.066 1.00 0.00 O ATOM 441 CB SER A 29 4.638 11.480 -11.016 1.00 0.00 C ATOM 442 OG SER A 29 4.469 12.418 -12.071 1.00 0.00 O ATOM 0 H SER A 29 6.967 10.309 -9.168 1.00 0.00 H new ATOM 0 HA SER A 29 6.737 11.877 -10.744 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.775 10.484 -11.437 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.731 11.449 -10.412 1.00 0.00 H new ATOM 0 HG SER A 29 4.678 13.318 -11.745 1.00 0.00 H new ATOM 448 N LYS A 30 6.167 13.347 -8.164 1.00 0.00 N ATOM 449 CA LYS A 30 5.905 14.522 -7.307 1.00 0.00 C ATOM 450 C LYS A 30 7.187 14.918 -6.528 1.00 0.00 C ATOM 451 O LYS A 30 8.263 14.364 -6.771 1.00 0.00 O ATOM 452 CB LYS A 30 4.705 14.184 -6.350 1.00 0.00 C ATOM 453 CG LYS A 30 3.842 15.406 -5.934 1.00 0.00 C ATOM 454 CD LYS A 30 2.604 15.015 -5.090 1.00 0.00 C ATOM 455 CE LYS A 30 1.687 16.218 -4.779 1.00 0.00 C ATOM 456 NZ LYS A 30 0.506 15.822 -3.970 1.00 0.00 N ATOM 0 H LYS A 30 6.724 12.626 -7.705 1.00 0.00 H new ATOM 0 HA LYS A 30 5.631 15.385 -7.914 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.062 13.453 -6.840 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.098 13.711 -5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.458 16.101 -5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.512 15.932 -6.830 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.032 14.256 -5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.935 14.565 -4.154 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.255 16.978 -4.243 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.352 16.670 -5.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.083 16.658 -3.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.051 15.115 -4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.824 15.414 -3.068 1.00 0.00 H new ATOM 470 N THR A 31 7.057 15.886 -5.605 1.00 0.00 N ATOM 471 CA THR A 31 8.186 16.470 -4.864 1.00 0.00 C ATOM 472 C THR A 31 8.745 15.493 -3.769 1.00 0.00 C ATOM 473 O THR A 31 8.043 14.566 -3.336 1.00 0.00 O ATOM 474 CB THR A 31 7.730 17.843 -4.259 1.00 0.00 C ATOM 475 OG1 THR A 31 7.016 18.591 -5.263 1.00 0.00 O ATOM 476 CG2 THR A 31 8.898 18.713 -3.770 1.00 0.00 C ATOM 0 H THR A 31 6.155 16.289 -5.350 1.00 0.00 H new ATOM 0 HA THR A 31 9.016 16.640 -5.549 1.00 0.00 H new ATOM 0 HB THR A 31 7.104 17.607 -3.398 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.728 19.449 -4.888 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.511 19.647 -3.364 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.448 18.181 -2.994 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.565 18.929 -4.605 1.00 0.00 H new ATOM 484 N VAL A 32 10.009 15.759 -3.340 1.00 0.00 N ATOM 485 CA VAL A 32 10.880 14.865 -2.509 1.00 0.00 C ATOM 486 C VAL A 32 10.187 14.191 -1.296 1.00 0.00 C ATOM 487 O VAL A 32 10.530 13.044 -0.950 1.00 0.00 O ATOM 488 CB VAL A 32 12.158 15.666 -2.025 1.00 0.00 C ATOM 489 CG1 VAL A 32 11.779 16.892 -1.159 1.00 0.00 C ATOM 490 CG2 VAL A 32 13.182 14.769 -1.279 1.00 0.00 C ATOM 0 H VAL A 32 10.473 16.637 -3.570 1.00 0.00 H new ATOM 0 HA VAL A 32 11.153 14.041 -3.168 1.00 0.00 H new ATOM 0 HB VAL A 32 12.642 16.026 -2.933 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.685 17.412 -0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.153 17.569 -1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.232 16.559 -0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 32 14.037 15.371 -0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 32 12.710 14.332 -0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 32 13.520 13.973 -1.943 1.00 0.00 H new ATOM 500 N SER A 33 9.207 14.890 -0.694 1.00 0.00 N ATOM 501 CA SER A 33 8.525 14.447 0.545 1.00 0.00 C ATOM 502 C SER A 33 7.916 13.037 0.400 1.00 0.00 C ATOM 503 O SER A 33 7.899 12.284 1.360 1.00 0.00 O ATOM 504 CB SER A 33 7.423 15.460 0.946 1.00 0.00 C ATOM 505 OG SER A 33 6.839 15.157 2.208 1.00 0.00 O ATOM 0 H SER A 33 8.862 15.781 -1.051 1.00 0.00 H new ATOM 0 HA SER A 33 9.280 14.402 1.330 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.849 16.463 0.978 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.646 15.468 0.182 1.00 0.00 H new ATOM 0 HG SER A 33 6.680 14.192 2.272 1.00 0.00 H new ATOM 511 N GLN A 34 7.446 12.696 -0.814 1.00 0.00 N ATOM 512 CA GLN A 34 6.788 11.399 -1.086 1.00 0.00 C ATOM 513 C GLN A 34 7.697 10.192 -0.722 1.00 0.00 C ATOM 514 O GLN A 34 7.288 9.315 0.046 1.00 0.00 O ATOM 515 CB GLN A 34 6.338 11.323 -2.577 1.00 0.00 C ATOM 516 CG GLN A 34 5.593 10.022 -2.971 1.00 0.00 C ATOM 517 CD GLN A 34 4.343 9.729 -2.120 1.00 0.00 C ATOM 518 OE1 GLN A 34 3.664 10.642 -1.640 1.00 0.00 O ATOM 519 NE2 GLN A 34 4.038 8.453 -1.920 1.00 0.00 N ATOM 0 H GLN A 34 7.509 13.305 -1.630 1.00 0.00 H new ATOM 0 HA GLN A 34 5.907 11.338 -0.446 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.690 12.173 -2.789 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.218 11.427 -3.212 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.299 10.088 -4.018 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.282 9.182 -2.886 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.617 7.720 -2.329 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.224 8.205 -1.357 1.00 0.00 H new ATOM 528 N CYS A 35 8.937 10.182 -1.254 1.00 0.00 N ATOM 529 CA CYS A 35 9.870 9.041 -1.077 1.00 0.00 C ATOM 530 C CYS A 35 10.600 9.102 0.274 1.00 0.00 C ATOM 531 O CYS A 35 10.928 8.056 0.851 1.00 0.00 O ATOM 532 CB CYS A 35 10.894 8.977 -2.219 1.00 0.00 C ATOM 533 SG CYS A 35 11.979 7.540 -2.124 1.00 0.00 S ATOM 0 H CYS A 35 9.318 10.948 -1.809 1.00 0.00 H new ATOM 0 HA CYS A 35 9.263 8.136 -1.096 1.00 0.00 H new ATOM 0 HB2 CYS A 35 10.365 8.962 -3.172 1.00 0.00 H new ATOM 0 HB3 CYS A 35 11.500 9.883 -2.205 1.00 0.00 H new ATOM 0 HG CYS A 35 12.781 7.668 -1.109 1.00 0.00 H new ATOM 539 N LYS A 36 10.858 10.326 0.772 1.00 0.00 N ATOM 540 CA LYS A 36 11.521 10.518 2.077 1.00 0.00 C ATOM 541 C LYS A 36 10.585 10.061 3.215 1.00 0.00 C ATOM 542 O LYS A 36 11.033 9.450 4.188 1.00 0.00 O ATOM 543 CB LYS A 36 11.953 11.993 2.276 1.00 0.00 C ATOM 544 CG LYS A 36 12.789 12.243 3.561 1.00 0.00 C ATOM 545 CD LYS A 36 13.193 13.722 3.745 1.00 0.00 C ATOM 546 CE LYS A 36 11.978 14.661 3.888 1.00 0.00 C ATOM 547 NZ LYS A 36 12.378 16.075 4.076 1.00 0.00 N ATOM 0 H LYS A 36 10.619 11.194 0.293 1.00 0.00 H new ATOM 0 HA LYS A 36 12.424 9.908 2.098 1.00 0.00 H new ATOM 0 HB2 LYS A 36 12.535 12.310 1.410 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.062 12.620 2.308 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.215 11.919 4.429 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.689 11.629 3.527 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.823 13.814 4.629 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.793 14.039 2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.351 14.578 3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.373 14.341 4.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.528 16.667 4.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.954 16.161 4.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.933 16.391 3.255 1.00 0.00 H new ATOM 561 N ASN A 37 9.274 10.356 3.065 1.00 0.00 N ATOM 562 CA ASN A 37 8.241 9.872 4.000 1.00 0.00 C ATOM 563 C ASN A 37 8.057 8.361 3.850 1.00 0.00 C ATOM 564 O ASN A 37 7.875 7.684 4.845 1.00 0.00 O ATOM 565 CB ASN A 37 6.872 10.588 3.808 1.00 0.00 C ATOM 566 CG ASN A 37 6.846 12.060 4.250 1.00 0.00 C ATOM 567 OD1 ASN A 37 6.114 12.871 3.678 1.00 0.00 O ATOM 568 ND2 ASN A 37 7.589 12.410 5.298 1.00 0.00 N ATOM 0 H ASN A 37 8.909 10.928 2.303 1.00 0.00 H new ATOM 0 HA ASN A 37 8.593 10.107 5.005 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.595 10.535 2.755 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.111 10.042 4.366 1.00 0.00 H new ATOM 0 HD21 ASN A 37 7.561 13.369 5.646 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.186 11.720 5.753 1.00 0.00 H new ATOM 575 N PHE A 38 8.126 7.840 2.600 1.00 0.00 N ATOM 576 CA PHE A 38 7.977 6.385 2.306 1.00 0.00 C ATOM 577 C PHE A 38 8.960 5.533 3.131 1.00 0.00 C ATOM 578 O PHE A 38 8.677 4.382 3.449 1.00 0.00 O ATOM 579 CB PHE A 38 8.202 6.090 0.797 1.00 0.00 C ATOM 580 CG PHE A 38 8.099 4.602 0.420 1.00 0.00 C ATOM 581 CD1 PHE A 38 6.951 3.863 0.721 1.00 0.00 C ATOM 582 CD2 PHE A 38 9.154 3.938 -0.215 1.00 0.00 C ATOM 583 CE1 PHE A 38 6.868 2.518 0.414 1.00 0.00 C ATOM 584 CE2 PHE A 38 9.065 2.591 -0.527 1.00 0.00 C ATOM 585 CZ PHE A 38 7.918 1.886 -0.216 1.00 0.00 C ATOM 0 H PHE A 38 8.285 8.409 1.769 1.00 0.00 H new ATOM 0 HA PHE A 38 6.957 6.117 2.581 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.470 6.651 0.216 1.00 0.00 H new ATOM 0 HB3 PHE A 38 9.187 6.458 0.510 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.116 4.351 1.201 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.052 4.484 -0.466 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.978 1.961 0.668 1.00 0.00 H new ATOM 0 HE2 PHE A 38 9.891 2.093 -1.013 1.00 0.00 H new ATOM 0 HZ PHE A 38 7.844 0.838 -0.467 1.00 0.00 H new ATOM 595 N TYR A 39 10.111 6.117 3.467 1.00 0.00 N ATOM 596 CA TYR A 39 11.166 5.423 4.212 1.00 0.00 C ATOM 597 C TYR A 39 10.690 5.022 5.633 1.00 0.00 C ATOM 598 O TYR A 39 11.107 3.988 6.172 1.00 0.00 O ATOM 599 CB TYR A 39 12.424 6.322 4.278 1.00 0.00 C ATOM 600 CG TYR A 39 13.687 5.558 4.648 1.00 0.00 C ATOM 601 CD1 TYR A 39 14.163 4.563 3.798 1.00 0.00 C ATOM 602 CD2 TYR A 39 14.395 5.811 5.824 1.00 0.00 C ATOM 603 CE1 TYR A 39 15.297 3.847 4.103 1.00 0.00 C ATOM 604 CE2 TYR A 39 15.537 5.096 6.134 1.00 0.00 C ATOM 605 CZ TYR A 39 15.985 4.114 5.270 1.00 0.00 C ATOM 606 OH TYR A 39 17.125 3.403 5.575 1.00 0.00 O ATOM 0 H TYR A 39 10.339 7.083 3.232 1.00 0.00 H new ATOM 0 HA TYR A 39 11.414 4.499 3.689 1.00 0.00 H new ATOM 0 HB2 TYR A 39 12.569 6.805 3.312 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.259 7.114 5.008 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.632 4.350 2.882 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.046 6.576 6.501 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.648 3.078 3.431 1.00 0.00 H new ATOM 0 HE2 TYR A 39 16.076 5.303 7.046 1.00 0.00 H new ATOM 0 HH TYR A 39 17.487 3.716 6.430 1.00 0.00 H new ATOM 616 N PHE A 40 9.809 5.857 6.211 1.00 0.00 N ATOM 617 CA PHE A 40 9.244 5.665 7.564 1.00 0.00 C ATOM 618 C PHE A 40 7.825 5.056 7.476 1.00 0.00 C ATOM 619 O PHE A 40 7.444 4.236 8.317 1.00 0.00 O ATOM 620 CB PHE A 40 9.198 7.029 8.309 1.00 0.00 C ATOM 621 CG PHE A 40 10.556 7.724 8.421 1.00 0.00 C ATOM 622 CD1 PHE A 40 11.069 8.473 7.358 1.00 0.00 C ATOM 623 CD2 PHE A 40 11.321 7.630 9.580 1.00 0.00 C ATOM 624 CE1 PHE A 40 12.303 9.087 7.450 1.00 0.00 C ATOM 625 CE2 PHE A 40 12.556 8.243 9.672 1.00 0.00 C ATOM 626 CZ PHE A 40 13.045 8.976 8.609 1.00 0.00 C ATOM 0 H PHE A 40 9.463 6.697 5.747 1.00 0.00 H new ATOM 0 HA PHE A 40 9.880 4.975 8.118 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.504 7.691 7.791 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.799 6.871 9.311 1.00 0.00 H new ATOM 0 HD1 PHE A 40 10.492 8.573 6.451 1.00 0.00 H new ATOM 0 HD2 PHE A 40 10.943 7.069 10.422 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.687 9.654 6.615 1.00 0.00 H new ATOM 0 HE2 PHE A 40 13.139 8.149 10.576 1.00 0.00 H new ATOM 0 HZ PHE A 40 14.007 9.462 8.684 1.00 0.00 H new ATOM 636 N ASN A 41 7.056 5.482 6.448 1.00 0.00 N ATOM 637 CA ASN A 41 5.691 4.982 6.152 1.00 0.00 C ATOM 638 C ASN A 41 5.732 3.474 5.866 1.00 0.00 C ATOM 639 O ASN A 41 4.838 2.737 6.275 1.00 0.00 O ATOM 640 CB ASN A 41 5.049 5.767 4.960 1.00 0.00 C ATOM 641 CG ASN A 41 4.315 7.047 5.393 1.00 0.00 C ATOM 642 OD1 ASN A 41 3.105 7.032 5.628 1.00 0.00 O ATOM 643 ND2 ASN A 41 5.036 8.148 5.538 1.00 0.00 N ATOM 0 H ASN A 41 7.370 6.194 5.789 1.00 0.00 H new ATOM 0 HA ASN A 41 5.063 5.150 7.027 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.829 6.029 4.246 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.348 5.114 4.441 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.592 9.011 5.851 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.036 8.133 5.337 1.00 0.00 H new ATOM 650 N TYR A 42 6.776 3.028 5.150 1.00 0.00 N ATOM 651 CA TYR A 42 7.157 1.610 5.118 1.00 0.00 C ATOM 652 C TYR A 42 7.959 1.355 6.402 1.00 0.00 C ATOM 653 O TYR A 42 9.144 1.706 6.480 1.00 0.00 O ATOM 654 CB TYR A 42 7.977 1.257 3.841 1.00 0.00 C ATOM 655 CG TYR A 42 8.043 -0.252 3.549 1.00 0.00 C ATOM 656 CD1 TYR A 42 8.932 -1.094 4.228 1.00 0.00 C ATOM 657 CD2 TYR A 42 7.197 -0.843 2.603 1.00 0.00 C ATOM 658 CE1 TYR A 42 8.967 -2.452 3.976 1.00 0.00 C ATOM 659 CE2 TYR A 42 7.233 -2.205 2.358 1.00 0.00 C ATOM 660 CZ TYR A 42 8.125 -3.004 3.045 1.00 0.00 C ATOM 661 OH TYR A 42 8.156 -4.365 2.809 1.00 0.00 O ATOM 0 H TYR A 42 7.372 3.632 4.584 1.00 0.00 H new ATOM 0 HA TYR A 42 6.276 0.970 5.075 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.536 1.765 2.984 1.00 0.00 H new ATOM 0 HB3 TYR A 42 8.991 1.642 3.952 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.603 -0.674 4.963 1.00 0.00 H new ATOM 0 HD2 TYR A 42 6.503 -0.224 2.054 1.00 0.00 H new ATOM 0 HE1 TYR A 42 9.660 -3.081 4.514 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.565 -2.642 1.631 1.00 0.00 H new ATOM 0 HH TYR A 42 8.823 -4.783 3.393 1.00 0.00 H new ATOM 671 N LYS A 43 7.279 0.792 7.419 1.00 0.00 N ATOM 672 CA LYS A 43 7.782 0.747 8.804 1.00 0.00 C ATOM 673 C LYS A 43 8.948 -0.251 8.921 1.00 0.00 C ATOM 674 O LYS A 43 8.721 -1.447 9.134 1.00 0.00 O ATOM 675 CB LYS A 43 6.615 0.398 9.780 1.00 0.00 C ATOM 676 CG LYS A 43 6.880 0.676 11.281 1.00 0.00 C ATOM 677 CD LYS A 43 7.146 2.176 11.577 1.00 0.00 C ATOM 678 CE LYS A 43 7.066 2.512 13.080 1.00 0.00 C ATOM 679 NZ LYS A 43 7.998 1.698 13.904 1.00 0.00 N ATOM 0 H LYS A 43 6.365 0.355 7.303 1.00 0.00 H new ATOM 0 HA LYS A 43 8.168 1.728 9.082 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.733 0.962 9.477 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.374 -0.659 9.663 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.022 0.342 11.865 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.737 0.088 11.609 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.133 2.446 11.201 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.421 2.783 11.035 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.290 3.569 13.224 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.046 2.352 13.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.914 1.978 14.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.759 0.691 13.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.974 1.855 13.582 1.00 0.00 H new ATOM 693 N LYS A 44 10.166 0.286 8.664 1.00 0.00 N ATOM 694 CA LYS A 44 11.490 -0.373 8.824 1.00 0.00 C ATOM 695 C LYS A 44 11.461 -1.912 8.650 1.00 0.00 C ATOM 696 O LYS A 44 11.490 -2.675 9.630 1.00 0.00 O ATOM 697 CB LYS A 44 12.134 0.057 10.174 1.00 0.00 C ATOM 698 CG LYS A 44 13.634 -0.283 10.322 1.00 0.00 C ATOM 699 CD LYS A 44 14.236 0.216 11.662 1.00 0.00 C ATOM 700 CE LYS A 44 14.042 1.729 11.893 1.00 0.00 C ATOM 701 NZ LYS A 44 14.533 2.538 10.747 1.00 0.00 N ATOM 0 H LYS A 44 10.258 1.242 8.321 1.00 0.00 H new ATOM 0 HA LYS A 44 12.117 -0.025 8.003 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.008 1.133 10.292 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.587 -0.420 10.988 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.766 -1.363 10.250 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.186 0.161 9.494 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.777 -0.332 12.485 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.301 -0.014 11.681 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.985 1.937 12.056 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.570 2.027 12.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.461 3.549 10.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.526 2.297 10.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.956 2.335 9.906 1.00 0.00 H new ATOM 715 N ARG A 45 11.322 -2.336 7.392 1.00 0.00 N ATOM 716 CA ARG A 45 11.268 -3.767 7.014 1.00 0.00 C ATOM 717 C ARG A 45 11.846 -3.954 5.588 1.00 0.00 C ATOM 718 O ARG A 45 11.938 -5.077 5.078 1.00 0.00 O ATOM 719 CB ARG A 45 9.791 -4.266 7.109 1.00 0.00 C ATOM 720 CG ARG A 45 9.616 -5.803 7.152 1.00 0.00 C ATOM 721 CD ARG A 45 8.139 -6.236 7.092 1.00 0.00 C ATOM 722 NE ARG A 45 7.531 -5.918 5.785 1.00 0.00 N ATOM 723 CZ ARG A 45 6.490 -6.556 5.230 1.00 0.00 C ATOM 724 NH1 ARG A 45 5.906 -7.577 5.842 1.00 0.00 N ATOM 725 NH2 ARG A 45 6.059 -6.184 4.036 1.00 0.00 N ATOM 0 H ARG A 45 11.243 -1.701 6.597 1.00 0.00 H new ATOM 0 HA ARG A 45 11.874 -4.362 7.697 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.337 -3.840 8.004 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.237 -3.877 6.254 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.155 -6.249 6.316 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.067 -6.190 8.066 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.066 -7.308 7.277 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.581 -5.737 7.884 1.00 0.00 H new ATOM 0 HE ARG A 45 7.938 -5.146 5.258 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.247 -7.890 6.751 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.115 -8.050 5.404 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.518 -5.417 3.544 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.268 -6.664 3.607 1.00 0.00 H new ATOM 739 N GLN A 46 12.242 -2.822 4.961 1.00 0.00 N ATOM 740 CA GLN A 46 12.817 -2.801 3.606 1.00 0.00 C ATOM 741 C GLN A 46 14.341 -3.001 3.695 1.00 0.00 C ATOM 742 O GLN A 46 14.975 -2.521 4.641 1.00 0.00 O ATOM 743 CB GLN A 46 12.468 -1.474 2.848 1.00 0.00 C ATOM 744 CG GLN A 46 13.085 -0.154 3.398 1.00 0.00 C ATOM 745 CD GLN A 46 12.503 0.336 4.730 1.00 0.00 C ATOM 746 OE1 GLN A 46 12.989 -0.019 5.805 1.00 0.00 O ATOM 747 NE2 GLN A 46 11.459 1.152 4.662 1.00 0.00 N ATOM 0 H GLN A 46 12.169 -1.898 5.386 1.00 0.00 H new ATOM 0 HA GLN A 46 12.379 -3.617 3.031 1.00 0.00 H new ATOM 0 HB2 GLN A 46 12.781 -1.586 1.810 1.00 0.00 H new ATOM 0 HB3 GLN A 46 11.384 -1.363 2.843 1.00 0.00 H new ATOM 0 HG2 GLN A 46 14.159 -0.297 3.520 1.00 0.00 H new ATOM 0 HG3 GLN A 46 12.951 0.629 2.652 1.00 0.00 H new ATOM 0 HE21 GLN A 46 11.083 1.425 3.754 1.00 0.00 H new ATOM 0 HE22 GLN A 46 11.032 1.507 5.518 1.00 0.00 H new ATOM 756 N ASN A 47 14.918 -3.688 2.693 1.00 0.00 N ATOM 757 CA ASN A 47 16.373 -3.991 2.637 1.00 0.00 C ATOM 758 C ASN A 47 17.136 -2.887 1.865 1.00 0.00 C ATOM 759 O ASN A 47 18.158 -3.149 1.232 1.00 0.00 O ATOM 760 CB ASN A 47 16.585 -5.407 2.009 1.00 0.00 C ATOM 761 CG ASN A 47 16.136 -5.525 0.544 1.00 0.00 C ATOM 762 OD1 ASN A 47 16.944 -5.385 -0.374 1.00 0.00 O ATOM 763 ND2 ASN A 47 14.855 -5.792 0.322 1.00 0.00 N ATOM 0 H ASN A 47 14.395 -4.052 1.896 1.00 0.00 H new ATOM 0 HA ASN A 47 16.783 -4.004 3.647 1.00 0.00 H new ATOM 0 HB2 ASN A 47 17.642 -5.666 2.074 1.00 0.00 H new ATOM 0 HB3 ASN A 47 16.040 -6.140 2.604 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.512 -5.888 -0.634 1.00 0.00 H new ATOM 0 HD22 ASN A 47 14.213 -5.902 1.107 1.00 0.00 H new ATOM 770 N LEU A 48 16.652 -1.628 2.015 1.00 0.00 N ATOM 771 CA LEU A 48 17.189 -0.422 1.329 1.00 0.00 C ATOM 772 C LEU A 48 18.675 -0.213 1.656 1.00 0.00 C ATOM 773 O LEU A 48 19.449 0.267 0.812 1.00 0.00 O ATOM 774 CB LEU A 48 16.324 0.824 1.722 1.00 0.00 C ATOM 775 CG LEU A 48 16.559 2.181 0.957 1.00 0.00 C ATOM 776 CD1 LEU A 48 17.711 3.032 1.546 1.00 0.00 C ATOM 777 CD2 LEU A 48 16.772 1.927 -0.534 1.00 0.00 C ATOM 0 H LEU A 48 15.863 -1.417 2.627 1.00 0.00 H new ATOM 0 HA LEU A 48 17.125 -0.563 0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.276 0.551 1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.480 1.012 2.784 1.00 0.00 H new ATOM 0 HG LEU A 48 15.653 2.771 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.816 3.951 0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 48 17.488 3.278 2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 48 18.642 2.467 1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 48 16.933 2.876 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 48 17.644 1.288 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.892 1.436 -0.949 1.00 0.00 H new ATOM 789 N ASP A 49 19.045 -0.583 2.888 1.00 0.00 N ATOM 790 CA ASP A 49 20.434 -0.541 3.377 1.00 0.00 C ATOM 791 C ASP A 49 21.382 -1.326 2.442 1.00 0.00 C ATOM 792 O ASP A 49 22.475 -0.846 2.098 1.00 0.00 O ATOM 793 CB ASP A 49 20.477 -1.103 4.824 1.00 0.00 C ATOM 794 CG ASP A 49 21.880 -1.090 5.463 1.00 0.00 C ATOM 795 OD1 ASP A 49 22.406 0.012 5.747 1.00 0.00 O ATOM 796 OD2 ASP A 49 22.461 -2.178 5.696 1.00 0.00 O ATOM 0 H ASP A 49 18.382 -0.925 3.584 1.00 0.00 H new ATOM 0 HA ASP A 49 20.781 0.492 3.383 1.00 0.00 H new ATOM 0 HB2 ASP A 49 19.800 -0.521 5.449 1.00 0.00 H new ATOM 0 HB3 ASP A 49 20.103 -2.127 4.816 1.00 0.00 H new ATOM 801 N GLU A 50 20.929 -2.516 2.005 1.00 0.00 N ATOM 802 CA GLU A 50 21.678 -3.363 1.059 1.00 0.00 C ATOM 803 C GLU A 50 21.514 -2.860 -0.393 1.00 0.00 C ATOM 804 O GLU A 50 22.464 -2.923 -1.159 1.00 0.00 O ATOM 805 CB GLU A 50 21.240 -4.853 1.146 1.00 0.00 C ATOM 806 CG GLU A 50 22.127 -5.809 0.313 1.00 0.00 C ATOM 807 CD GLU A 50 21.632 -7.262 0.295 1.00 0.00 C ATOM 808 OE1 GLU A 50 21.845 -7.983 1.291 1.00 0.00 O ATOM 809 OE2 GLU A 50 21.043 -7.696 -0.723 1.00 0.00 O ATOM 0 H GLU A 50 20.037 -2.916 2.297 1.00 0.00 H new ATOM 0 HA GLU A 50 22.728 -3.295 1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 50 21.260 -5.169 2.189 1.00 0.00 H new ATOM 0 HB3 GLU A 50 20.208 -4.940 0.806 1.00 0.00 H new ATOM 0 HG2 GLU A 50 22.178 -5.441 -0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 50 23.141 -5.786 0.711 1.00 0.00 H new ATOM 816 N ILE A 51 20.305 -2.369 -0.763 1.00 0.00 N ATOM 817 CA ILE A 51 20.006 -1.901 -2.151 1.00 0.00 C ATOM 818 C ILE A 51 20.983 -0.775 -2.569 1.00 0.00 C ATOM 819 O ILE A 51 21.486 -0.751 -3.698 1.00 0.00 O ATOM 820 CB ILE A 51 18.513 -1.397 -2.292 1.00 0.00 C ATOM 821 CG1 ILE A 51 17.502 -2.535 -1.945 1.00 0.00 C ATOM 822 CG2 ILE A 51 18.222 -0.828 -3.706 1.00 0.00 C ATOM 823 CD1 ILE A 51 16.025 -2.133 -1.969 1.00 0.00 C ATOM 0 H ILE A 51 19.516 -2.284 -0.122 1.00 0.00 H new ATOM 0 HA ILE A 51 20.137 -2.755 -2.815 1.00 0.00 H new ATOM 0 HB ILE A 51 18.383 -0.585 -1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 51 17.649 -3.355 -2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 51 17.740 -2.919 -0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 51 17.186 -0.494 -3.758 1.00 0.00 H new ATOM 0 HG22 ILE A 51 18.885 0.014 -3.903 1.00 0.00 H new ATOM 0 HG23 ILE A 51 18.390 -1.604 -4.452 1.00 0.00 H new ATOM 0 HD11 ILE A 51 15.409 -2.995 -1.714 1.00 0.00 H new ATOM 0 HD12 ILE A 51 15.853 -1.337 -1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 51 15.760 -1.780 -2.966 1.00 0.00 H new ATOM 835 N LEU A 52 21.269 0.123 -1.615 1.00 0.00 N ATOM 836 CA LEU A 52 22.204 1.245 -1.815 1.00 0.00 C ATOM 837 C LEU A 52 23.671 0.774 -1.801 1.00 0.00 C ATOM 838 O LEU A 52 24.508 1.354 -2.502 1.00 0.00 O ATOM 839 CB LEU A 52 21.955 2.370 -0.754 1.00 0.00 C ATOM 840 CG LEU A 52 21.225 3.636 -1.285 1.00 0.00 C ATOM 841 CD1 LEU A 52 22.063 4.340 -2.367 1.00 0.00 C ATOM 842 CD2 LEU A 52 19.814 3.300 -1.804 1.00 0.00 C ATOM 0 H LEU A 52 20.859 0.094 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 52 22.013 1.664 -2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 52 21.371 1.951 0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 52 22.916 2.673 -0.338 1.00 0.00 H new ATOM 0 HG LEU A 52 21.108 4.325 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 52 21.531 5.222 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 52 23.023 4.640 -1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 52 22.230 3.657 -3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 52 19.334 4.209 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 52 19.888 2.579 -2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 52 19.220 2.875 -0.995 1.00 0.00 H new ATOM 854 N GLN A 53 23.970 -0.263 -0.996 1.00 0.00 N ATOM 855 CA GLN A 53 25.327 -0.839 -0.921 1.00 0.00 C ATOM 856 C GLN A 53 25.681 -1.515 -2.256 1.00 0.00 C ATOM 857 O GLN A 53 26.777 -1.327 -2.774 1.00 0.00 O ATOM 858 CB GLN A 53 25.452 -1.851 0.249 1.00 0.00 C ATOM 859 CG GLN A 53 26.877 -2.430 0.431 1.00 0.00 C ATOM 860 CD GLN A 53 27.939 -1.371 0.774 1.00 0.00 C ATOM 861 OE1 GLN A 53 27.651 -0.375 1.444 1.00 0.00 O ATOM 862 NE2 GLN A 53 29.165 -1.563 0.298 1.00 0.00 N ATOM 0 H GLN A 53 23.290 -0.720 -0.388 1.00 0.00 H new ATOM 0 HA GLN A 53 26.030 -0.028 -0.730 1.00 0.00 H new ATOM 0 HB2 GLN A 53 25.149 -1.360 1.174 1.00 0.00 H new ATOM 0 HB3 GLN A 53 24.756 -2.673 0.081 1.00 0.00 H new ATOM 0 HG2 GLN A 53 26.856 -3.179 1.222 1.00 0.00 H new ATOM 0 HG3 GLN A 53 27.171 -2.942 -0.485 1.00 0.00 H new ATOM 0 HE21 GLN A 53 29.374 -2.396 -0.253 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.897 -0.878 0.483 1.00 0.00 H new ATOM 871 N GLN A 54 24.716 -2.276 -2.807 1.00 0.00 N ATOM 872 CA GLN A 54 24.850 -2.954 -4.107 1.00 0.00 C ATOM 873 C GLN A 54 24.982 -1.913 -5.222 1.00 0.00 C ATOM 874 O GLN A 54 25.817 -2.059 -6.108 1.00 0.00 O ATOM 875 CB GLN A 54 23.642 -3.893 -4.385 1.00 0.00 C ATOM 876 CG GLN A 54 23.493 -5.072 -3.396 1.00 0.00 C ATOM 877 CD GLN A 54 24.717 -5.998 -3.330 1.00 0.00 C ATOM 878 OE1 GLN A 54 25.454 -6.162 -4.308 1.00 0.00 O ATOM 879 NE2 GLN A 54 24.921 -6.636 -2.183 1.00 0.00 N ATOM 0 H GLN A 54 23.815 -2.438 -2.357 1.00 0.00 H new ATOM 0 HA GLN A 54 25.748 -3.571 -4.079 1.00 0.00 H new ATOM 0 HB2 GLN A 54 22.727 -3.301 -4.362 1.00 0.00 H new ATOM 0 HB3 GLN A 54 23.737 -4.294 -5.394 1.00 0.00 H new ATOM 0 HG2 GLN A 54 23.299 -4.674 -2.400 1.00 0.00 H new ATOM 0 HG3 GLN A 54 22.621 -5.661 -3.679 1.00 0.00 H new ATOM 0 HE21 GLN A 54 24.294 -6.479 -1.394 1.00 0.00 H new ATOM 0 HE22 GLN A 54 25.704 -7.283 -2.092 1.00 0.00 H new ATOM 888 N HIS A 55 24.159 -0.844 -5.136 1.00 0.00 N ATOM 889 CA HIS A 55 24.221 0.298 -6.071 1.00 0.00 C ATOM 890 C HIS A 55 25.646 0.877 -6.118 1.00 0.00 C ATOM 891 O HIS A 55 26.177 1.121 -7.197 1.00 0.00 O ATOM 892 CB HIS A 55 23.199 1.397 -5.671 1.00 0.00 C ATOM 893 CG HIS A 55 23.278 2.666 -6.495 1.00 0.00 C ATOM 894 ND1 HIS A 55 23.212 3.933 -5.944 1.00 0.00 N ATOM 895 CD2 HIS A 55 23.400 2.860 -7.834 1.00 0.00 C ATOM 896 CE1 HIS A 55 23.290 4.835 -6.909 1.00 0.00 C ATOM 897 NE2 HIS A 55 23.404 4.210 -8.059 1.00 0.00 N ATOM 0 H HIS A 55 23.438 -0.750 -4.421 1.00 0.00 H new ATOM 0 HA HIS A 55 23.959 -0.062 -7.066 1.00 0.00 H new ATOM 0 HB2 HIS A 55 22.193 0.987 -5.757 1.00 0.00 H new ATOM 0 HB3 HIS A 55 23.351 1.651 -4.622 1.00 0.00 H new ATOM 0 HD2 HIS A 55 23.479 2.088 -8.585 1.00 0.00 H new ATOM 0 HE1 HIS A 55 23.264 5.906 -6.774 1.00 0.00 H new ATOM 0 HE2 HIS A 55 23.483 4.658 -8.972 1.00 0.00 H new ATOM 906 N LYS A 56 26.253 1.039 -4.933 1.00 0.00 N ATOM 907 CA LYS A 56 27.599 1.611 -4.790 1.00 0.00 C ATOM 908 C LYS A 56 28.680 0.670 -5.359 1.00 0.00 C ATOM 909 O LYS A 56 29.364 1.032 -6.304 1.00 0.00 O ATOM 910 CB LYS A 56 27.900 1.926 -3.300 1.00 0.00 C ATOM 911 CG LYS A 56 29.338 2.439 -3.044 1.00 0.00 C ATOM 912 CD LYS A 56 29.616 2.773 -1.569 1.00 0.00 C ATOM 913 CE LYS A 56 31.058 3.267 -1.349 1.00 0.00 C ATOM 914 NZ LYS A 56 31.287 3.706 0.046 1.00 0.00 N ATOM 0 H LYS A 56 25.823 0.777 -4.046 1.00 0.00 H new ATOM 0 HA LYS A 56 27.623 2.537 -5.364 1.00 0.00 H new ATOM 0 HB2 LYS A 56 27.190 2.674 -2.947 1.00 0.00 H new ATOM 0 HB3 LYS A 56 27.736 1.025 -2.708 1.00 0.00 H new ATOM 0 HG2 LYS A 56 30.050 1.684 -3.378 1.00 0.00 H new ATOM 0 HG3 LYS A 56 29.511 3.329 -3.649 1.00 0.00 H new ATOM 0 HD2 LYS A 56 28.916 3.538 -1.233 1.00 0.00 H new ATOM 0 HD3 LYS A 56 29.439 1.888 -0.958 1.00 0.00 H new ATOM 0 HE2 LYS A 56 31.757 2.468 -1.597 1.00 0.00 H new ATOM 0 HE3 LYS A 56 31.265 4.094 -2.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 32.269 4.031 0.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 30.638 4.486 0.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 31.114 2.910 0.693 1.00 0.00 H new ATOM 928 N LEU A 57 28.802 -0.544 -4.789 1.00 0.00 N ATOM 929 CA LEU A 57 29.941 -1.455 -5.059 1.00 0.00 C ATOM 930 C LEU A 57 29.977 -1.917 -6.532 1.00 0.00 C ATOM 931 O LEU A 57 31.058 -2.117 -7.091 1.00 0.00 O ATOM 932 CB LEU A 57 29.932 -2.651 -4.050 1.00 0.00 C ATOM 933 CG LEU A 57 28.715 -3.663 -4.100 1.00 0.00 C ATOM 934 CD1 LEU A 57 28.941 -4.822 -5.094 1.00 0.00 C ATOM 935 CD2 LEU A 57 28.370 -4.216 -2.693 1.00 0.00 C ATOM 0 H LEU A 57 28.120 -0.923 -4.132 1.00 0.00 H new ATOM 0 HA LEU A 57 30.866 -0.901 -4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 57 30.847 -3.223 -4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 57 29.980 -2.237 -3.043 1.00 0.00 H new ATOM 0 HG LEU A 57 27.864 -3.087 -4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 57 28.074 -5.483 -5.085 1.00 0.00 H new ATOM 0 HD12 LEU A 57 29.080 -4.419 -6.097 1.00 0.00 H new ATOM 0 HD13 LEU A 57 29.829 -5.383 -4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 57 27.530 -4.907 -2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 57 29.235 -4.740 -2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 57 28.102 -3.391 -2.033 1.00 0.00 H new ATOM 947 N LYS A 58 28.788 -2.057 -7.149 1.00 0.00 N ATOM 948 CA LYS A 58 28.653 -2.433 -8.574 1.00 0.00 C ATOM 949 C LYS A 58 28.973 -1.239 -9.487 1.00 0.00 C ATOM 950 O LYS A 58 29.558 -1.417 -10.563 1.00 0.00 O ATOM 951 CB LYS A 58 27.225 -2.959 -8.862 1.00 0.00 C ATOM 952 CG LYS A 58 26.858 -4.258 -8.110 1.00 0.00 C ATOM 953 CD LYS A 58 25.367 -4.642 -8.259 1.00 0.00 C ATOM 954 CE LYS A 58 24.949 -4.872 -9.722 1.00 0.00 C ATOM 955 NZ LYS A 58 25.687 -5.996 -10.358 1.00 0.00 N ATOM 0 H LYS A 58 27.895 -1.914 -6.677 1.00 0.00 H new ATOM 0 HA LYS A 58 29.369 -3.228 -8.784 1.00 0.00 H new ATOM 0 HB2 LYS A 58 26.506 -2.184 -8.596 1.00 0.00 H new ATOM 0 HB3 LYS A 58 27.125 -3.133 -9.933 1.00 0.00 H new ATOM 0 HG2 LYS A 58 27.477 -5.074 -8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 58 27.093 -4.138 -7.052 1.00 0.00 H new ATOM 0 HD2 LYS A 58 25.171 -5.547 -7.684 1.00 0.00 H new ATOM 0 HD3 LYS A 58 24.750 -3.853 -7.830 1.00 0.00 H new ATOM 0 HE2 LYS A 58 23.879 -5.076 -9.762 1.00 0.00 H new ATOM 0 HE3 LYS A 58 25.122 -3.960 -10.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 25.344 -6.130 -11.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 26.704 -5.778 -10.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 25.530 -6.867 -9.812 1.00 0.00 H new ATOM 969 N MET A 59 28.592 -0.020 -9.036 1.00 0.00 N ATOM 970 CA MET A 59 28.874 1.236 -9.769 1.00 0.00 C ATOM 971 C MET A 59 30.388 1.452 -9.848 1.00 0.00 C ATOM 972 O MET A 59 30.940 1.594 -10.924 1.00 0.00 O ATOM 973 CB MET A 59 28.210 2.455 -9.072 1.00 0.00 C ATOM 974 CG MET A 59 28.391 3.795 -9.800 1.00 0.00 C ATOM 975 SD MET A 59 27.617 3.814 -11.432 1.00 0.00 S ATOM 976 CE MET A 59 25.885 3.527 -11.033 1.00 0.00 C ATOM 0 H MET A 59 28.085 0.119 -8.162 1.00 0.00 H new ATOM 0 HA MET A 59 28.457 1.148 -10.772 1.00 0.00 H new ATOM 0 HB2 MET A 59 27.143 2.257 -8.966 1.00 0.00 H new ATOM 0 HB3 MET A 59 28.619 2.547 -8.066 1.00 0.00 H new ATOM 0 HG2 MET A 59 27.966 4.594 -9.192 1.00 0.00 H new ATOM 0 HG3 MET A 59 29.455 4.006 -9.905 1.00 0.00 H new ATOM 0 HE1 MET A 59 25.265 3.793 -11.890 1.00 0.00 H new ATOM 0 HE2 MET A 59 25.737 2.475 -10.791 1.00 0.00 H new ATOM 0 HE3 MET A 59 25.603 4.140 -10.177 1.00 0.00 H new ATOM 986 N GLU A 60 31.039 1.416 -8.678 1.00 0.00 N ATOM 987 CA GLU A 60 32.489 1.624 -8.536 1.00 0.00 C ATOM 988 C GLU A 60 33.289 0.513 -9.243 1.00 0.00 C ATOM 989 O GLU A 60 34.411 0.750 -9.677 1.00 0.00 O ATOM 990 CB GLU A 60 32.871 1.695 -7.032 1.00 0.00 C ATOM 991 CG GLU A 60 32.103 2.765 -6.221 1.00 0.00 C ATOM 992 CD GLU A 60 32.323 4.204 -6.730 1.00 0.00 C ATOM 993 OE1 GLU A 60 31.560 4.679 -7.607 1.00 0.00 O ATOM 994 OE2 GLU A 60 33.265 4.876 -6.253 1.00 0.00 O ATOM 0 H GLU A 60 30.568 1.239 -7.790 1.00 0.00 H new ATOM 0 HA GLU A 60 32.744 2.570 -9.014 1.00 0.00 H new ATOM 0 HB2 GLU A 60 32.694 0.719 -6.580 1.00 0.00 H new ATOM 0 HB3 GLU A 60 33.939 1.895 -6.951 1.00 0.00 H new ATOM 0 HG2 GLU A 60 31.038 2.537 -6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 60 32.411 2.707 -5.177 1.00 0.00 H new ATOM 1001 N LYS A 61 32.696 -0.696 -9.332 1.00 0.00 N ATOM 1002 CA LYS A 61 33.305 -1.851 -10.026 1.00 0.00 C ATOM 1003 C LYS A 61 33.448 -1.559 -11.534 1.00 0.00 C ATOM 1004 O LYS A 61 34.557 -1.579 -12.071 1.00 0.00 O ATOM 1005 CB LYS A 61 32.436 -3.115 -9.784 1.00 0.00 C ATOM 1006 CG LYS A 61 32.927 -4.415 -10.464 1.00 0.00 C ATOM 1007 CD LYS A 61 31.955 -5.600 -10.239 1.00 0.00 C ATOM 1008 CE LYS A 61 32.348 -6.867 -11.025 1.00 0.00 C ATOM 1009 NZ LYS A 61 33.670 -7.406 -10.615 1.00 0.00 N ATOM 0 H LYS A 61 31.783 -0.899 -8.925 1.00 0.00 H new ATOM 0 HA LYS A 61 34.303 -2.029 -9.626 1.00 0.00 H new ATOM 0 HB2 LYS A 61 32.376 -3.290 -8.710 1.00 0.00 H new ATOM 0 HB3 LYS A 61 31.423 -2.907 -10.130 1.00 0.00 H new ATOM 0 HG2 LYS A 61 33.043 -4.241 -11.534 1.00 0.00 H new ATOM 0 HG3 LYS A 61 33.911 -4.676 -10.075 1.00 0.00 H new ATOM 0 HD2 LYS A 61 31.921 -5.836 -9.175 1.00 0.00 H new ATOM 0 HD3 LYS A 61 30.949 -5.297 -10.531 1.00 0.00 H new ATOM 0 HE2 LYS A 61 31.586 -7.632 -10.878 1.00 0.00 H new ATOM 0 HE3 LYS A 61 32.368 -6.638 -12.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 33.886 -8.256 -11.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 34.404 -6.688 -10.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 33.647 -7.652 -9.605 1.00 0.00 H new ATOM 1023 N GLU A 62 32.310 -1.240 -12.186 1.00 0.00 N ATOM 1024 CA GLU A 62 32.266 -0.968 -13.644 1.00 0.00 C ATOM 1025 C GLU A 62 32.923 0.386 -13.986 1.00 0.00 C ATOM 1026 O GLU A 62 33.488 0.546 -15.071 1.00 0.00 O ATOM 1027 CB GLU A 62 30.804 -1.005 -14.170 1.00 0.00 C ATOM 1028 CG GLU A 62 29.865 0.046 -13.554 1.00 0.00 C ATOM 1029 CD GLU A 62 28.437 -0.023 -14.110 1.00 0.00 C ATOM 1030 OE1 GLU A 62 27.652 -0.891 -13.667 1.00 0.00 O ATOM 1031 OE2 GLU A 62 28.099 0.769 -15.016 1.00 0.00 O ATOM 0 H GLU A 62 31.403 -1.163 -11.725 1.00 0.00 H new ATOM 0 HA GLU A 62 32.835 -1.754 -14.140 1.00 0.00 H new ATOM 0 HB2 GLU A 62 30.819 -0.868 -15.251 1.00 0.00 H new ATOM 0 HB3 GLU A 62 30.390 -1.996 -13.980 1.00 0.00 H new ATOM 0 HG2 GLU A 62 29.835 -0.092 -12.473 1.00 0.00 H new ATOM 0 HG3 GLU A 62 30.272 1.040 -13.737 1.00 0.00 H new ATOM 1038 N ARG A 63 32.850 1.345 -13.041 1.00 0.00 N ATOM 1039 CA ARG A 63 33.342 2.718 -13.243 1.00 0.00 C ATOM 1040 C ARG A 63 34.871 2.736 -13.189 1.00 0.00 C ATOM 1041 O ARG A 63 35.512 3.411 -13.981 1.00 0.00 O ATOM 1042 CB ARG A 63 32.721 3.688 -12.198 1.00 0.00 C ATOM 1043 CG ARG A 63 32.966 5.185 -12.485 1.00 0.00 C ATOM 1044 CD ARG A 63 32.140 6.122 -11.585 1.00 0.00 C ATOM 1045 NE ARG A 63 32.573 6.107 -10.175 1.00 0.00 N ATOM 1046 CZ ARG A 63 33.141 7.145 -9.533 1.00 0.00 C ATOM 1047 NH1 ARG A 63 33.418 8.283 -10.173 1.00 0.00 N ATOM 1048 NH2 ARG A 63 33.433 7.034 -8.251 1.00 0.00 N ATOM 0 H ARG A 63 32.448 1.187 -12.117 1.00 0.00 H new ATOM 0 HA ARG A 63 33.032 3.065 -14.229 1.00 0.00 H new ATOM 0 HB2 ARG A 63 31.646 3.512 -12.152 1.00 0.00 H new ATOM 0 HB3 ARG A 63 33.126 3.449 -11.215 1.00 0.00 H new ATOM 0 HG2 ARG A 63 34.025 5.405 -12.351 1.00 0.00 H new ATOM 0 HG3 ARG A 63 32.727 5.391 -13.528 1.00 0.00 H new ATOM 0 HD2 ARG A 63 32.211 7.140 -11.969 1.00 0.00 H new ATOM 0 HD3 ARG A 63 31.090 5.834 -11.639 1.00 0.00 H new ATOM 0 HE ARG A 63 32.431 5.246 -9.647 1.00 0.00 H new ATOM 0 HH11 ARG A 63 33.199 8.377 -11.165 1.00 0.00 H new ATOM 0 HH12 ARG A 63 33.849 9.059 -9.670 1.00 0.00 H new ATOM 0 HH21 ARG A 63 33.228 6.167 -7.755 1.00 0.00 H new ATOM 0 HH22 ARG A 63 33.864 7.815 -7.756 1.00 0.00 H new ATOM 1062 N ASN A 64 35.447 1.944 -12.270 1.00 0.00 N ATOM 1063 CA ASN A 64 36.911 1.799 -12.148 1.00 0.00 C ATOM 1064 C ASN A 64 37.457 0.910 -13.290 1.00 0.00 C ATOM 1065 O ASN A 64 38.611 1.056 -13.701 1.00 0.00 O ATOM 1066 CB ASN A 64 37.280 1.209 -10.756 1.00 0.00 C ATOM 1067 CG ASN A 64 38.769 1.297 -10.415 1.00 0.00 C ATOM 1068 OD1 ASN A 64 39.461 2.222 -10.849 1.00 0.00 O ATOM 1069 ND2 ASN A 64 39.266 0.359 -9.618 1.00 0.00 N ATOM 0 H ASN A 64 34.919 1.390 -11.596 1.00 0.00 H new ATOM 0 HA ASN A 64 37.373 2.783 -12.233 1.00 0.00 H new ATOM 0 HB2 ASN A 64 36.711 1.734 -9.989 1.00 0.00 H new ATOM 0 HB3 ASN A 64 36.972 0.164 -10.723 1.00 0.00 H new ATOM 0 HD21 ASN A 64 40.249 0.389 -9.346 1.00 0.00 H new ATOM 0 HD22 ASN A 64 38.665 -0.392 -9.277 1.00 0.00 H new ATOM 1076 N ALA A 65 36.597 0.000 -13.800 1.00 0.00 N ATOM 1077 CA ALA A 65 36.939 -0.919 -14.907 1.00 0.00 C ATOM 1078 C ALA A 65 37.055 -0.174 -16.255 1.00 0.00 C ATOM 1079 O ALA A 65 37.851 -0.564 -17.118 1.00 0.00 O ATOM 1080 CB ALA A 65 35.900 -2.047 -15.007 1.00 0.00 C ATOM 0 H ALA A 65 35.645 -0.117 -13.454 1.00 0.00 H new ATOM 0 HA ALA A 65 37.914 -1.352 -14.685 1.00 0.00 H new ATOM 0 HB1 ALA A 65 36.166 -2.715 -15.826 1.00 0.00 H new ATOM 0 HB2 ALA A 65 35.881 -2.608 -14.073 1.00 0.00 H new ATOM 0 HB3 ALA A 65 34.915 -1.619 -15.193 1.00 0.00 H new ATOM 1086 N ARG A 66 36.242 0.883 -16.438 1.00 0.00 N ATOM 1087 CA ARG A 66 36.306 1.738 -17.648 1.00 0.00 C ATOM 1088 C ARG A 66 37.361 2.848 -17.475 1.00 0.00 C ATOM 1089 O ARG A 66 37.907 3.347 -18.461 1.00 0.00 O ATOM 1090 CB ARG A 66 34.912 2.331 -17.992 1.00 0.00 C ATOM 1091 CG ARG A 66 34.301 3.255 -16.917 1.00 0.00 C ATOM 1092 CD ARG A 66 32.848 3.663 -17.223 1.00 0.00 C ATOM 1093 NE ARG A 66 31.987 2.479 -17.414 1.00 0.00 N ATOM 1094 CZ ARG A 66 30.868 2.192 -16.735 1.00 0.00 C ATOM 1095 NH1 ARG A 66 30.390 3.014 -15.805 1.00 0.00 N ATOM 1096 NH2 ARG A 66 30.232 1.062 -16.995 1.00 0.00 N ATOM 0 H ARG A 66 35.531 1.169 -15.765 1.00 0.00 H new ATOM 0 HA ARG A 66 36.610 1.113 -18.488 1.00 0.00 H new ATOM 0 HB2 ARG A 66 34.994 2.891 -18.924 1.00 0.00 H new ATOM 0 HB3 ARG A 66 34.221 1.508 -18.175 1.00 0.00 H new ATOM 0 HG2 ARG A 66 34.334 2.750 -15.952 1.00 0.00 H new ATOM 0 HG3 ARG A 66 34.913 4.153 -16.828 1.00 0.00 H new ATOM 0 HD2 ARG A 66 32.459 4.270 -16.406 1.00 0.00 H new ATOM 0 HD3 ARG A 66 32.823 4.282 -18.120 1.00 0.00 H new ATOM 0 HE ARG A 66 32.272 1.814 -18.133 1.00 0.00 H new ATOM 0 HH11 ARG A 66 30.877 3.885 -15.595 1.00 0.00 H new ATOM 0 HH12 ARG A 66 29.536 2.773 -15.302 1.00 0.00 H new ATOM 0 HH21 ARG A 66 30.595 0.424 -17.703 1.00 0.00 H new ATOM 0 HH22 ARG A 66 29.379 0.828 -16.487 1.00 0.00 H new ATOM 1110 N ARG A 67 37.637 3.232 -16.211 1.00 0.00 N ATOM 1111 CA ARG A 67 38.737 4.168 -15.871 1.00 0.00 C ATOM 1112 C ARG A 67 40.106 3.436 -15.849 1.00 0.00 C ATOM 1113 O ARG A 67 41.150 4.073 -15.659 1.00 0.00 O ATOM 1114 CB ARG A 67 38.462 4.867 -14.502 1.00 0.00 C ATOM 1115 CG ARG A 67 37.292 5.892 -14.511 1.00 0.00 C ATOM 1116 CD ARG A 67 37.545 7.066 -15.471 1.00 0.00 C ATOM 1117 NE ARG A 67 36.456 8.061 -15.478 1.00 0.00 N ATOM 1118 CZ ARG A 67 36.348 9.079 -16.351 1.00 0.00 C ATOM 1119 NH1 ARG A 67 37.233 9.244 -17.333 1.00 0.00 N ATOM 1120 NH2 ARG A 67 35.342 9.931 -16.247 1.00 0.00 N ATOM 0 H ARG A 67 37.110 2.907 -15.401 1.00 0.00 H new ATOM 0 HA ARG A 67 38.779 4.934 -16.645 1.00 0.00 H new ATOM 0 HB2 ARG A 67 38.248 4.101 -13.756 1.00 0.00 H new ATOM 0 HB3 ARG A 67 39.370 5.378 -14.183 1.00 0.00 H new ATOM 0 HG2 ARG A 67 36.371 5.385 -14.798 1.00 0.00 H new ATOM 0 HG3 ARG A 67 37.143 6.277 -13.502 1.00 0.00 H new ATOM 0 HD2 ARG A 67 38.476 7.559 -15.193 1.00 0.00 H new ATOM 0 HD3 ARG A 67 37.679 6.678 -16.481 1.00 0.00 H new ATOM 0 HE ARG A 67 35.730 7.970 -14.767 1.00 0.00 H new ATOM 0 HH11 ARG A 67 38.011 8.592 -17.434 1.00 0.00 H new ATOM 0 HH12 ARG A 67 37.133 10.023 -17.984 1.00 0.00 H new ATOM 0 HH21 ARG A 67 34.650 9.815 -15.506 1.00 0.00 H new ATOM 0 HH22 ARG A 67 35.258 10.704 -16.907 1.00 0.00 H new ATOM 1134 N LYS A 68 40.080 2.097 -16.043 1.00 0.00 N ATOM 1135 CA LYS A 68 41.290 1.260 -16.127 1.00 0.00 C ATOM 1136 C LYS A 68 42.001 1.548 -17.470 1.00 0.00 C ATOM 1137 O LYS A 68 41.614 1.000 -18.509 1.00 0.00 O ATOM 1138 CB LYS A 68 40.895 -0.250 -15.954 1.00 0.00 C ATOM 1139 CG LYS A 68 42.031 -1.229 -15.541 1.00 0.00 C ATOM 1140 CD LYS A 68 43.086 -1.487 -16.645 1.00 0.00 C ATOM 1141 CE LYS A 68 44.222 -2.416 -16.183 1.00 0.00 C ATOM 1142 NZ LYS A 68 44.959 -1.859 -15.016 1.00 0.00 N ATOM 0 H LYS A 68 39.213 1.569 -16.146 1.00 0.00 H new ATOM 0 HA LYS A 68 41.990 1.497 -15.326 1.00 0.00 H new ATOM 0 HB2 LYS A 68 40.105 -0.311 -15.205 1.00 0.00 H new ATOM 0 HB3 LYS A 68 40.470 -0.600 -16.895 1.00 0.00 H new ATOM 0 HG2 LYS A 68 42.535 -0.831 -14.660 1.00 0.00 H new ATOM 0 HG3 LYS A 68 41.586 -2.181 -15.251 1.00 0.00 H new ATOM 0 HD2 LYS A 68 42.595 -1.926 -17.514 1.00 0.00 H new ATOM 0 HD3 LYS A 68 43.510 -0.535 -16.965 1.00 0.00 H new ATOM 0 HE2 LYS A 68 43.809 -3.390 -15.920 1.00 0.00 H new ATOM 0 HE3 LYS A 68 44.917 -2.577 -17.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 45.831 -2.404 -14.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 45.200 -0.864 -15.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 44.361 -1.919 -14.167 1.00 0.00 H new ATOM 1156 N LYS A 69 43.009 2.448 -17.432 1.00 0.00 N ATOM 1157 CA LYS A 69 43.804 2.828 -18.624 1.00 0.00 C ATOM 1158 C LYS A 69 45.140 3.532 -18.228 1.00 0.00 C ATOM 1159 O LYS A 69 45.880 3.999 -19.100 1.00 0.00 O ATOM 1160 CB LYS A 69 42.938 3.733 -19.570 1.00 0.00 C ATOM 1161 CG LYS A 69 43.503 3.909 -21.001 1.00 0.00 C ATOM 1162 CD LYS A 69 42.576 4.731 -21.920 1.00 0.00 C ATOM 1163 CE LYS A 69 43.163 4.932 -23.326 1.00 0.00 C ATOM 1164 NZ LYS A 69 42.214 5.635 -24.228 1.00 0.00 N ATOM 0 H LYS A 69 43.294 2.930 -16.579 1.00 0.00 H new ATOM 0 HA LYS A 69 44.078 1.919 -19.160 1.00 0.00 H new ATOM 0 HB2 LYS A 69 41.937 3.307 -19.640 1.00 0.00 H new ATOM 0 HB3 LYS A 69 42.834 4.717 -19.113 1.00 0.00 H new ATOM 0 HG2 LYS A 69 44.475 4.398 -20.944 1.00 0.00 H new ATOM 0 HG3 LYS A 69 43.666 2.927 -21.444 1.00 0.00 H new ATOM 0 HD2 LYS A 69 41.612 4.228 -22.001 1.00 0.00 H new ATOM 0 HD3 LYS A 69 42.390 5.704 -21.466 1.00 0.00 H new ATOM 0 HE2 LYS A 69 44.088 5.505 -23.255 1.00 0.00 H new ATOM 0 HE3 LYS A 69 43.420 3.963 -23.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 42.648 5.751 -25.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 41.341 5.077 -24.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 41.988 6.570 -23.833 1.00 0.00 H new ATOM 1178 N LYS A 70 45.469 3.565 -16.911 1.00 0.00 N ATOM 1179 CA LYS A 70 46.691 4.238 -16.397 1.00 0.00 C ATOM 1180 C LYS A 70 47.976 3.570 -16.941 1.00 0.00 C ATOM 1181 O LYS A 70 48.297 2.431 -16.568 1.00 0.00 O ATOM 1182 CB LYS A 70 46.719 4.220 -14.845 1.00 0.00 C ATOM 1183 CG LYS A 70 45.643 5.089 -14.160 1.00 0.00 C ATOM 1184 CD LYS A 70 45.617 4.904 -12.625 1.00 0.00 C ATOM 1185 CE LYS A 70 46.969 5.215 -11.946 1.00 0.00 C ATOM 1186 NZ LYS A 70 46.925 4.958 -10.487 1.00 0.00 N ATOM 0 H LYS A 70 44.902 3.131 -16.182 1.00 0.00 H new ATOM 0 HA LYS A 70 46.660 5.270 -16.745 1.00 0.00 H new ATOM 0 HB2 LYS A 70 46.601 3.190 -14.507 1.00 0.00 H new ATOM 0 HB3 LYS A 70 47.701 4.555 -14.511 1.00 0.00 H new ATOM 0 HG2 LYS A 70 45.826 6.138 -14.393 1.00 0.00 H new ATOM 0 HG3 LYS A 70 44.664 4.838 -14.569 1.00 0.00 H new ATOM 0 HD2 LYS A 70 44.849 5.551 -12.202 1.00 0.00 H new ATOM 0 HD3 LYS A 70 45.331 3.878 -12.395 1.00 0.00 H new ATOM 0 HE2 LYS A 70 47.752 4.606 -12.399 1.00 0.00 H new ATOM 0 HE3 LYS A 70 47.233 6.257 -12.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 47.851 5.179 -10.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 46.196 5.557 -10.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 46.698 3.957 -10.317 1.00 0.00 H new ATOM 1200 N LYS A 71 48.679 4.276 -17.841 1.00 0.00 N ATOM 1201 CA LYS A 71 49.946 3.815 -18.414 1.00 0.00 C ATOM 1202 C LYS A 71 51.120 4.183 -17.461 1.00 0.00 C ATOM 1203 O LYS A 71 51.649 3.282 -16.769 1.00 0.00 O ATOM 1204 CB LYS A 71 50.157 4.417 -19.841 1.00 0.00 C ATOM 1205 CG LYS A 71 49.003 4.155 -20.847 1.00 0.00 C ATOM 1206 CD LYS A 71 48.613 2.661 -20.984 1.00 0.00 C ATOM 1207 CE LYS A 71 49.759 1.758 -21.482 1.00 0.00 C ATOM 1208 NZ LYS A 71 50.193 2.090 -22.866 1.00 0.00 N ATOM 1209 OXT LYS A 71 51.471 5.379 -17.368 1.00 0.00 O ATOM 0 H LYS A 71 48.380 5.186 -18.191 1.00 0.00 H new ATOM 0 HA LYS A 71 49.918 2.730 -18.519 1.00 0.00 H new ATOM 0 HB2 LYS A 71 50.297 5.494 -19.746 1.00 0.00 H new ATOM 0 HB3 LYS A 71 51.079 4.011 -20.257 1.00 0.00 H new ATOM 0 HG2 LYS A 71 48.126 4.722 -20.534 1.00 0.00 H new ATOM 0 HG3 LYS A 71 49.295 4.535 -21.826 1.00 0.00 H new ATOM 0 HD2 LYS A 71 48.270 2.295 -20.016 1.00 0.00 H new ATOM 0 HD3 LYS A 71 47.772 2.577 -21.673 1.00 0.00 H new ATOM 0 HE2 LYS A 71 50.609 1.852 -20.807 1.00 0.00 H new ATOM 0 HE3 LYS A 71 49.437 0.717 -21.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 50.965 1.453 -23.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 49.391 1.975 -23.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 50.527 3.074 -22.898 1.00 0.00 H new TER 1223 LYS A 71