USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 968 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 75 ASN : amide:sc= -1.6 K(o=-3.5,f=-7.2!) USER MOD Set 1.2: A 90 MET CE :methyl -165:sc= -1.94 (180deg=-1.52!) USER MOD Single : A 1 GLY N :NH3+ 132:sc= 0.0131 (180deg=0) USER MOD Single : A 2 SER OG : rot 33:sc= 0.93 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 21:sc= 0.0864 USER MOD Single : A 14 TYR OH : rot 0:sc= -0.537 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.0133 X(o=0.013,f=-0.0064) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.021 X(o=-0.021,f=-0.027) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -150:sc= -0.0983 (180deg=-1.19) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.00035) USER MOD Single : A 52 ASN : amide:sc= -0.109 K(o=-0.11,f=-2.1!) USER MOD Single : A 53 HIS : no HD1:sc= -0.78 K(o=-0.78,f=-0.023) USER MOD Single : A 54 LYS NZ :NH3+ -100:sc= -0.0141 (180deg=-0.883) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.452 K(o=-0.45,f=0.63) USER MOD Single : A 59 MET CE :methyl 159:sc= -5.74! (180deg=-7.82!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.345 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -130:sc= -0.465 (180deg=-3.57!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -10.7! C(o=-11!,f=-8.7!) USER MOD Single : A 71 TYR OH : rot -150:sc= -1.85! USER MOD Single : A 72 TYR OH : rot 180:sc= -0.284 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0232) USER MOD Single : A 83 GLN : amide:sc= -0.963 K(o=-0.96,f=-2.5!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot -62:sc= 0.747 USER MOD Single : A 110 GLN : amide:sc= -0.0409 K(o=-0.041,f=-1) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 19:sc= 0.594! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.873 15.889 20.844 1.00 0.00 N ATOM 2 CA GLY A 1 -33.966 16.022 19.718 1.00 0.00 C ATOM 3 C GLY A 1 -33.062 14.816 19.558 1.00 0.00 C ATOM 4 O GLY A 1 -32.609 14.235 20.544 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.850 16.759 21.413 1.00 0.00 H new ATOM 0 H2 GLY A 1 -35.839 15.729 20.494 1.00 0.00 H new ATOM 0 H3 GLY A 1 -34.580 15.083 21.432 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -34.544 16.163 18.805 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -33.355 16.915 19.850 1.00 0.00 H new ATOM 8 N SER A 2 -32.798 14.438 18.311 1.00 0.00 N ATOM 9 CA SER A 2 -31.946 13.290 18.024 1.00 0.00 C ATOM 10 C SER A 2 -30.500 13.727 17.810 1.00 0.00 C ATOM 11 O SER A 2 -30.170 14.342 16.796 1.00 0.00 O ATOM 12 CB SER A 2 -32.455 12.547 16.787 1.00 0.00 C ATOM 13 OG SER A 2 -32.390 13.369 15.635 1.00 0.00 O ATOM 0 H SER A 2 -33.162 14.910 17.483 1.00 0.00 H new ATOM 0 HA SER A 2 -31.981 12.619 18.882 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.860 11.647 16.629 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.483 12.225 16.950 1.00 0.00 H new ATOM 0 HG SER A 2 -31.623 13.974 15.708 1.00 0.00 H new ATOM 19 N SER A 3 -29.642 13.403 18.772 1.00 0.00 N ATOM 20 CA SER A 3 -28.232 13.765 18.692 1.00 0.00 C ATOM 21 C SER A 3 -27.381 12.555 18.317 1.00 0.00 C ATOM 22 O SER A 3 -27.701 11.423 18.675 1.00 0.00 O ATOM 23 CB SER A 3 -27.756 14.344 20.026 1.00 0.00 C ATOM 24 OG SER A 3 -27.513 13.316 20.970 1.00 0.00 O ATOM 0 H SER A 3 -29.899 12.891 19.616 1.00 0.00 H new ATOM 0 HA SER A 3 -28.120 14.521 17.915 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.845 14.922 19.871 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.507 15.031 20.417 1.00 0.00 H new ATOM 0 HG SER A 3 -27.208 13.712 21.813 1.00 0.00 H new ATOM 30 N GLY A 4 -26.295 12.805 17.592 1.00 0.00 N ATOM 31 CA GLY A 4 -25.415 11.728 17.179 1.00 0.00 C ATOM 32 C GLY A 4 -24.599 12.084 15.952 1.00 0.00 C ATOM 33 O GLY A 4 -25.141 12.566 14.957 1.00 0.00 O ATOM 0 H GLY A 4 -26.009 13.734 17.283 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.742 11.478 17.999 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.008 10.838 16.971 1.00 0.00 H new ATOM 37 N SER A 5 -23.293 11.847 16.022 1.00 0.00 N ATOM 38 CA SER A 5 -22.401 12.151 14.909 1.00 0.00 C ATOM 39 C SER A 5 -21.392 11.025 14.699 1.00 0.00 C ATOM 40 O SER A 5 -20.968 10.371 15.652 1.00 0.00 O ATOM 41 CB SER A 5 -21.666 13.469 15.163 1.00 0.00 C ATOM 42 OG SER A 5 -22.569 14.561 15.180 1.00 0.00 O ATOM 0 H SER A 5 -22.829 11.446 16.837 1.00 0.00 H new ATOM 0 HA SER A 5 -23.005 12.248 14.007 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.136 13.416 16.114 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.915 13.626 14.388 1.00 0.00 H new ATOM 0 HG SER A 5 -22.075 15.391 15.346 1.00 0.00 H new ATOM 48 N SER A 6 -21.013 10.806 13.444 1.00 0.00 N ATOM 49 CA SER A 6 -20.057 9.758 13.107 1.00 0.00 C ATOM 50 C SER A 6 -18.943 9.683 14.147 1.00 0.00 C ATOM 51 O SER A 6 -18.666 8.620 14.701 1.00 0.00 O ATOM 52 CB SER A 6 -19.461 10.009 11.721 1.00 0.00 C ATOM 53 OG SER A 6 -18.900 8.823 11.184 1.00 0.00 O ATOM 0 H SER A 6 -21.353 11.340 12.644 1.00 0.00 H new ATOM 0 HA SER A 6 -20.587 8.806 13.100 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.235 10.384 11.052 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.694 10.781 11.786 1.00 0.00 H new ATOM 0 HG SER A 6 -18.527 9.010 10.297 1.00 0.00 H new ATOM 59 N GLY A 7 -18.307 10.821 14.406 1.00 0.00 N ATOM 60 CA GLY A 7 -17.230 10.864 15.377 1.00 0.00 C ATOM 61 C GLY A 7 -15.928 11.358 14.778 1.00 0.00 C ATOM 62 O GLY A 7 -15.873 12.448 14.208 1.00 0.00 O ATOM 0 H GLY A 7 -18.518 11.714 13.961 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.516 11.515 16.203 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.080 9.868 15.793 1.00 0.00 H new ATOM 66 N CYS A 8 -14.877 10.556 14.909 1.00 0.00 N ATOM 67 CA CYS A 8 -13.568 10.918 14.378 1.00 0.00 C ATOM 68 C CYS A 8 -13.121 9.926 13.309 1.00 0.00 C ATOM 69 O CYS A 8 -13.401 8.731 13.402 1.00 0.00 O ATOM 70 CB CYS A 8 -12.535 10.973 15.504 1.00 0.00 C ATOM 71 SG CYS A 8 -12.173 9.367 16.252 1.00 0.00 S ATOM 0 H CYS A 8 -14.906 9.651 15.378 1.00 0.00 H new ATOM 0 HA CYS A 8 -13.649 11.904 13.921 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.610 11.397 15.114 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -12.894 11.650 16.279 1.00 0.00 H new ATOM 0 HG CYS A 8 -12.513 8.419 15.430 1.00 0.00 H new ATOM 77 N ARG A 9 -12.426 10.430 12.295 1.00 0.00 N ATOM 78 CA ARG A 9 -11.942 9.589 11.207 1.00 0.00 C ATOM 79 C ARG A 9 -10.474 9.876 10.908 1.00 0.00 C ATOM 80 O ARG A 9 -10.054 9.879 9.750 1.00 0.00 O ATOM 81 CB ARG A 9 -12.783 9.813 9.948 1.00 0.00 C ATOM 82 CG ARG A 9 -12.845 11.266 9.508 1.00 0.00 C ATOM 83 CD ARG A 9 -13.998 12.001 10.174 1.00 0.00 C ATOM 84 NE ARG A 9 -15.293 11.584 9.642 1.00 0.00 N ATOM 85 CZ ARG A 9 -15.692 11.833 8.400 1.00 0.00 C ATOM 86 NH1 ARG A 9 -14.900 12.494 7.566 1.00 0.00 N ATOM 87 NH2 ARG A 9 -16.884 11.421 7.990 1.00 0.00 N ATOM 0 H ARG A 9 -12.185 11.417 12.204 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.034 8.548 11.518 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.372 9.213 9.136 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -13.796 9.453 10.129 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -11.906 11.762 9.753 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.958 11.315 8.425 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.972 11.819 11.248 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.875 13.074 10.030 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.926 11.074 10.258 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.983 12.812 7.878 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -15.208 12.684 6.613 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -17.495 10.912 8.629 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -17.190 11.613 7.036 1.00 0.00 H new ATOM 101 N LEU A 10 -9.698 10.118 11.959 1.00 0.00 N ATOM 102 CA LEU A 10 -8.276 10.407 11.810 1.00 0.00 C ATOM 103 C LEU A 10 -7.662 9.563 10.698 1.00 0.00 C ATOM 104 O LEU A 10 -7.712 8.333 10.738 1.00 0.00 O ATOM 105 CB LEU A 10 -7.542 10.147 13.127 1.00 0.00 C ATOM 106 CG LEU A 10 -7.688 11.226 14.201 1.00 0.00 C ATOM 107 CD1 LEU A 10 -6.868 12.454 13.839 1.00 0.00 C ATOM 108 CD2 LEU A 10 -9.152 11.596 14.390 1.00 0.00 C ATOM 0 H LEU A 10 -10.030 10.120 12.924 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.170 11.459 11.543 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.899 9.203 13.538 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.481 10.020 12.910 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.310 10.828 15.143 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.984 13.211 14.615 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.817 12.178 13.756 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.214 12.855 12.886 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.237 12.365 15.158 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.556 11.975 13.451 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.714 10.714 14.697 1.00 0.00 H new ATOM 120 N LEU A 11 -7.082 10.231 9.707 1.00 0.00 N ATOM 121 CA LEU A 11 -6.456 9.543 8.584 1.00 0.00 C ATOM 122 C LEU A 11 -5.711 8.298 9.055 1.00 0.00 C ATOM 123 O LEU A 11 -6.065 7.176 8.691 1.00 0.00 O ATOM 124 CB LEU A 11 -5.492 10.483 7.857 1.00 0.00 C ATOM 125 CG LEU A 11 -4.325 9.816 7.129 1.00 0.00 C ATOM 126 CD1 LEU A 11 -4.838 8.886 6.040 1.00 0.00 C ATOM 127 CD2 LEU A 11 -3.393 10.865 6.541 1.00 0.00 C ATOM 0 H LEU A 11 -7.032 11.249 9.659 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.242 9.235 7.895 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.061 11.065 7.132 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.086 11.187 8.583 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.763 9.223 7.850 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.994 8.420 5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.464 8.114 6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.424 9.457 5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.568 10.372 6.027 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.943 11.485 5.833 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.999 11.491 7.341 1.00 0.00 H new ATOM 139 N TRP A 12 -4.681 8.503 9.867 1.00 0.00 N ATOM 140 CA TRP A 12 -3.888 7.396 10.390 1.00 0.00 C ATOM 141 C TRP A 12 -4.772 6.197 10.713 1.00 0.00 C ATOM 142 O TRP A 12 -4.392 5.051 10.472 1.00 0.00 O ATOM 143 CB TRP A 12 -3.125 7.835 11.642 1.00 0.00 C ATOM 144 CG TRP A 12 -3.985 7.900 12.868 1.00 0.00 C ATOM 145 CD1 TRP A 12 -4.423 9.028 13.502 1.00 0.00 C ATOM 146 CD2 TRP A 12 -4.507 6.792 13.608 1.00 0.00 C ATOM 147 NE1 TRP A 12 -5.187 8.687 14.592 1.00 0.00 N ATOM 148 CE2 TRP A 12 -5.255 7.321 14.679 1.00 0.00 C ATOM 149 CE3 TRP A 12 -4.419 5.404 13.470 1.00 0.00 C ATOM 150 CZ2 TRP A 12 -5.906 6.510 15.604 1.00 0.00 C ATOM 151 CZ3 TRP A 12 -5.066 4.601 14.390 1.00 0.00 C ATOM 152 CH2 TRP A 12 -5.802 5.155 15.445 1.00 0.00 C ATOM 0 H TRP A 12 -4.375 9.425 10.178 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.173 7.100 9.622 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.303 7.142 11.820 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.683 8.815 11.464 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.201 10.039 13.192 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.632 9.344 15.233 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.856 4.967 12.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.473 6.935 16.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -5.003 3.527 14.294 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -6.297 4.500 16.147 1.00 0.00 H new ATOM 163 N ASP A 13 -5.953 6.468 11.258 1.00 0.00 N ATOM 164 CA ASP A 13 -6.892 5.411 11.613 1.00 0.00 C ATOM 165 C ASP A 13 -7.647 4.919 10.381 1.00 0.00 C ATOM 166 O ASP A 13 -7.839 3.717 10.198 1.00 0.00 O ATOM 167 CB ASP A 13 -7.882 5.910 12.666 1.00 0.00 C ATOM 168 CG ASP A 13 -9.179 5.125 12.660 1.00 0.00 C ATOM 169 OD1 ASP A 13 -10.055 5.434 11.825 1.00 0.00 O ATOM 170 OD2 ASP A 13 -9.319 4.204 13.491 1.00 0.00 O ATOM 0 H ASP A 13 -6.283 7.411 11.463 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.323 4.578 12.026 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.424 5.841 13.653 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.098 6.963 12.487 1.00 0.00 H new ATOM 175 N TYR A 14 -8.072 5.856 9.541 1.00 0.00 N ATOM 176 CA TYR A 14 -8.808 5.518 8.329 1.00 0.00 C ATOM 177 C TYR A 14 -8.206 4.292 7.649 1.00 0.00 C ATOM 178 O TYR A 14 -8.887 3.578 6.913 1.00 0.00 O ATOM 179 CB TYR A 14 -8.810 6.702 7.361 1.00 0.00 C ATOM 180 CG TYR A 14 -9.061 6.309 5.923 1.00 0.00 C ATOM 181 CD1 TYR A 14 -10.355 6.170 5.437 1.00 0.00 C ATOM 182 CD2 TYR A 14 -8.005 6.076 5.051 1.00 0.00 C ATOM 183 CE1 TYR A 14 -10.590 5.810 4.124 1.00 0.00 C ATOM 184 CE2 TYR A 14 -8.231 5.717 3.736 1.00 0.00 C ATOM 185 CZ TYR A 14 -9.525 5.585 3.277 1.00 0.00 C ATOM 186 OH TYR A 14 -9.753 5.227 1.968 1.00 0.00 O ATOM 0 H TYR A 14 -7.919 6.855 9.677 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.835 5.286 8.612 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -9.574 7.414 7.673 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.851 7.215 7.426 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.192 6.346 6.097 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.990 6.177 5.407 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.602 5.705 3.763 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.399 5.541 3.071 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.718 5.177 1.806 1.00 0.00 H new ATOM 196 N VAL A 15 -6.923 4.054 7.902 1.00 0.00 N ATOM 197 CA VAL A 15 -6.227 2.914 7.317 1.00 0.00 C ATOM 198 C VAL A 15 -6.890 1.601 7.717 1.00 0.00 C ATOM 199 O VAL A 15 -7.398 0.866 6.869 1.00 0.00 O ATOM 200 CB VAL A 15 -4.748 2.880 7.744 1.00 0.00 C ATOM 201 CG1 VAL A 15 -4.058 1.645 7.185 1.00 0.00 C ATOM 202 CG2 VAL A 15 -4.035 4.147 7.296 1.00 0.00 C ATOM 0 H VAL A 15 -6.344 4.635 8.508 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.283 3.031 6.235 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.704 2.830 8.832 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.014 1.639 7.498 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.554 0.750 7.560 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.111 1.660 6.096 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.991 4.106 7.606 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.088 4.230 6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.514 5.014 7.750 1.00 0.00 H new ATOM 212 N TYR A 16 -6.883 1.312 9.014 1.00 0.00 N ATOM 213 CA TYR A 16 -7.483 0.086 9.527 1.00 0.00 C ATOM 214 C TYR A 16 -8.826 -0.186 8.856 1.00 0.00 C ATOM 215 O TYR A 16 -9.028 -1.238 8.252 1.00 0.00 O ATOM 216 CB TYR A 16 -7.666 0.178 11.042 1.00 0.00 C ATOM 217 CG TYR A 16 -7.554 -1.154 11.748 1.00 0.00 C ATOM 218 CD1 TYR A 16 -8.315 -2.244 11.343 1.00 0.00 C ATOM 219 CD2 TYR A 16 -6.686 -1.324 12.820 1.00 0.00 C ATOM 220 CE1 TYR A 16 -8.216 -3.463 11.986 1.00 0.00 C ATOM 221 CE2 TYR A 16 -6.579 -2.540 13.468 1.00 0.00 C ATOM 222 CZ TYR A 16 -7.347 -3.606 13.047 1.00 0.00 C ATOM 223 OH TYR A 16 -7.245 -4.819 13.689 1.00 0.00 O ATOM 0 H TYR A 16 -6.469 1.910 9.729 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.810 -0.741 9.299 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.919 0.859 11.449 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.643 0.612 11.256 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.996 -2.136 10.511 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.084 -0.491 13.153 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -8.816 -4.299 11.659 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.898 -2.655 14.299 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.588 -4.752 14.413 1.00 0.00 H new ATOM 233 N GLN A 17 -9.740 0.773 8.969 1.00 0.00 N ATOM 234 CA GLN A 17 -11.065 0.638 8.374 1.00 0.00 C ATOM 235 C GLN A 17 -10.990 -0.095 7.039 1.00 0.00 C ATOM 236 O GLN A 17 -11.898 -0.844 6.677 1.00 0.00 O ATOM 237 CB GLN A 17 -11.702 2.014 8.180 1.00 0.00 C ATOM 238 CG GLN A 17 -12.398 2.544 9.423 1.00 0.00 C ATOM 239 CD GLN A 17 -12.727 4.020 9.323 1.00 0.00 C ATOM 240 OE1 GLN A 17 -13.375 4.461 8.373 1.00 0.00 O ATOM 241 NE2 GLN A 17 -12.283 4.794 10.307 1.00 0.00 N ATOM 0 H GLN A 17 -9.588 1.650 9.466 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.684 0.052 9.054 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.931 2.722 7.876 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.424 1.959 7.365 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -13.317 1.981 9.588 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.761 2.376 10.291 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.750 4.387 11.075 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -12.475 5.796 10.294 1.00 0.00 H new ATOM 250 N LEU A 18 -9.902 0.127 6.309 1.00 0.00 N ATOM 251 CA LEU A 18 -9.708 -0.512 5.011 1.00 0.00 C ATOM 252 C LEU A 18 -9.178 -1.933 5.178 1.00 0.00 C ATOM 253 O LEU A 18 -9.753 -2.887 4.651 1.00 0.00 O ATOM 254 CB LEU A 18 -8.741 0.309 4.157 1.00 0.00 C ATOM 255 CG LEU A 18 -9.201 1.719 3.789 1.00 0.00 C ATOM 256 CD1 LEU A 18 -8.080 2.485 3.102 1.00 0.00 C ATOM 257 CD2 LEU A 18 -10.434 1.663 2.899 1.00 0.00 C ATOM 0 H LEU A 18 -9.141 0.744 6.593 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.674 -0.561 4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.793 0.385 4.689 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.546 -0.240 3.236 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.463 2.245 4.707 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.427 3.487 2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.224 2.557 3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.785 1.961 2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.747 2.676 2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.198 1.118 1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.241 1.154 3.427 1.00 0.00 H new ATOM 269 N LEU A 19 -8.081 -2.067 5.915 1.00 0.00 N ATOM 270 CA LEU A 19 -7.475 -3.372 6.154 1.00 0.00 C ATOM 271 C LEU A 19 -8.544 -4.439 6.365 1.00 0.00 C ATOM 272 O LEU A 19 -8.544 -5.473 5.696 1.00 0.00 O ATOM 273 CB LEU A 19 -6.550 -3.312 7.371 1.00 0.00 C ATOM 274 CG LEU A 19 -5.101 -2.910 7.094 1.00 0.00 C ATOM 275 CD1 LEU A 19 -4.566 -3.648 5.877 1.00 0.00 C ATOM 276 CD2 LEU A 19 -4.993 -1.405 6.897 1.00 0.00 C ATOM 0 H LEU A 19 -7.593 -1.288 6.357 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.890 -3.640 5.274 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.971 -2.607 8.088 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.549 -4.291 7.850 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.496 -3.188 7.957 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.534 -3.349 5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.607 -4.722 6.056 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.174 -3.402 5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.955 -1.137 6.701 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.611 -1.103 6.052 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.335 -0.895 7.797 1.00 0.00 H new ATOM 288 N SER A 20 -9.455 -4.180 7.297 1.00 0.00 N ATOM 289 CA SER A 20 -10.529 -5.119 7.597 1.00 0.00 C ATOM 290 C SER A 20 -11.172 -5.638 6.315 1.00 0.00 C ATOM 291 O SER A 20 -11.308 -6.846 6.120 1.00 0.00 O ATOM 292 CB SER A 20 -11.588 -4.451 8.477 1.00 0.00 C ATOM 293 OG SER A 20 -12.681 -5.322 8.710 1.00 0.00 O ATOM 0 H SER A 20 -9.471 -3.328 7.857 1.00 0.00 H new ATOM 0 HA SER A 20 -10.099 -5.964 8.135 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.143 -4.158 9.428 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.942 -3.539 7.997 1.00 0.00 H new ATOM 0 HG SER A 20 -13.343 -4.872 9.276 1.00 0.00 H new ATOM 299 N ASP A 21 -11.565 -4.716 5.443 1.00 0.00 N ATOM 300 CA ASP A 21 -12.193 -5.079 4.177 1.00 0.00 C ATOM 301 C ASP A 21 -11.158 -5.614 3.192 1.00 0.00 C ATOM 302 O ASP A 21 -10.473 -4.846 2.518 1.00 0.00 O ATOM 303 CB ASP A 21 -12.912 -3.871 3.575 1.00 0.00 C ATOM 304 CG ASP A 21 -13.942 -3.282 4.518 1.00 0.00 C ATOM 305 OD1 ASP A 21 -14.890 -4.006 4.889 1.00 0.00 O ATOM 306 OD2 ASP A 21 -13.802 -2.097 4.884 1.00 0.00 O ATOM 0 H ASP A 21 -11.460 -3.712 5.589 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.922 -5.865 4.373 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.179 -3.106 3.319 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.401 -4.168 2.647 1.00 0.00 H new ATOM 311 N SER A 22 -11.051 -6.937 3.115 1.00 0.00 N ATOM 312 CA SER A 22 -10.097 -7.575 2.215 1.00 0.00 C ATOM 313 C SER A 22 -10.207 -6.998 0.808 1.00 0.00 C ATOM 314 O SER A 22 -9.241 -7.006 0.044 1.00 0.00 O ATOM 315 CB SER A 22 -10.331 -9.087 2.178 1.00 0.00 C ATOM 316 OG SER A 22 -10.119 -9.667 3.454 1.00 0.00 O ATOM 0 H SER A 22 -11.613 -7.587 3.665 1.00 0.00 H new ATOM 0 HA SER A 22 -9.093 -7.379 2.592 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.349 -9.293 1.846 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.660 -9.544 1.451 1.00 0.00 H new ATOM 0 HG SER A 22 -10.276 -10.633 3.404 1.00 0.00 H new ATOM 322 N ARG A 23 -11.391 -6.497 0.471 1.00 0.00 N ATOM 323 CA ARG A 23 -11.630 -5.916 -0.845 1.00 0.00 C ATOM 324 C ARG A 23 -10.569 -4.871 -1.178 1.00 0.00 C ATOM 325 O ARG A 23 -10.313 -4.582 -2.347 1.00 0.00 O ATOM 326 CB ARG A 23 -13.021 -5.283 -0.902 1.00 0.00 C ATOM 327 CG ARG A 23 -14.143 -6.293 -1.074 1.00 0.00 C ATOM 328 CD ARG A 23 -15.441 -5.793 -0.458 1.00 0.00 C ATOM 329 NE ARG A 23 -16.501 -6.796 -0.526 1.00 0.00 N ATOM 330 CZ ARG A 23 -17.614 -6.739 0.196 1.00 0.00 C ATOM 331 NH1 ARG A 23 -17.812 -5.733 1.036 1.00 0.00 N ATOM 332 NH2 ARG A 23 -18.532 -7.690 0.079 1.00 0.00 N ATOM 0 H ARG A 23 -12.200 -6.482 1.092 1.00 0.00 H new ATOM 0 HA ARG A 23 -11.572 -6.716 -1.584 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.191 -4.716 0.014 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.054 -4.572 -1.728 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.295 -6.492 -2.135 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -13.859 -7.237 -0.610 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.267 -5.520 0.583 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.763 -4.889 -0.975 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.379 -7.583 -1.163 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.109 -5.000 1.129 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.668 -5.692 1.589 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.383 -8.466 -0.566 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.386 -7.645 0.634 1.00 0.00 H new ATOM 346 N TYR A 24 -9.955 -4.308 -0.143 1.00 0.00 N ATOM 347 CA TYR A 24 -8.924 -3.293 -0.325 1.00 0.00 C ATOM 348 C TYR A 24 -7.532 -3.897 -0.168 1.00 0.00 C ATOM 349 O TYR A 24 -6.603 -3.230 0.286 1.00 0.00 O ATOM 350 CB TYR A 24 -9.116 -2.156 0.680 1.00 0.00 C ATOM 351 CG TYR A 24 -10.467 -1.485 0.585 1.00 0.00 C ATOM 352 CD1 TYR A 24 -11.621 -2.142 0.997 1.00 0.00 C ATOM 353 CD2 TYR A 24 -10.591 -0.196 0.082 1.00 0.00 C ATOM 354 CE1 TYR A 24 -12.858 -1.533 0.911 1.00 0.00 C ATOM 355 CE2 TYR A 24 -11.824 0.421 -0.006 1.00 0.00 C ATOM 356 CZ TYR A 24 -12.955 -0.252 0.410 1.00 0.00 C ATOM 357 OH TYR A 24 -14.185 0.359 0.323 1.00 0.00 O ATOM 0 H TYR A 24 -10.153 -4.537 0.831 1.00 0.00 H new ATOM 0 HA TYR A 24 -9.015 -2.895 -1.336 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.985 -2.548 1.689 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -8.337 -1.409 0.524 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -11.549 -3.145 1.391 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.708 0.333 -0.246 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -13.745 -2.058 1.235 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.902 1.424 -0.398 1.00 0.00 H new ATOM 0 HH TYR A 24 -14.078 1.259 -0.050 1.00 0.00 H new ATOM 367 N GLU A 25 -7.397 -5.163 -0.548 1.00 0.00 N ATOM 368 CA GLU A 25 -6.118 -5.857 -0.450 1.00 0.00 C ATOM 369 C GLU A 25 -5.139 -5.346 -1.503 1.00 0.00 C ATOM 370 O GLU A 25 -3.934 -5.282 -1.265 1.00 0.00 O ATOM 371 CB GLU A 25 -6.317 -7.366 -0.612 1.00 0.00 C ATOM 372 CG GLU A 25 -6.557 -8.093 0.700 1.00 0.00 C ATOM 373 CD GLU A 25 -5.280 -8.648 1.301 1.00 0.00 C ATOM 374 OE1 GLU A 25 -4.292 -8.804 0.553 1.00 0.00 O ATOM 375 OE2 GLU A 25 -5.269 -8.928 2.518 1.00 0.00 O ATOM 0 H GLU A 25 -8.157 -5.729 -0.926 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.700 -5.657 0.537 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.163 -7.543 -1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.438 -7.790 -1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.021 -7.409 1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.261 -8.909 0.536 1.00 0.00 H new ATOM 382 N ASN A 26 -5.667 -4.984 -2.667 1.00 0.00 N ATOM 383 CA ASN A 26 -4.841 -4.480 -3.758 1.00 0.00 C ATOM 384 C ASN A 26 -4.296 -3.093 -3.431 1.00 0.00 C ATOM 385 O ASN A 26 -3.226 -2.707 -3.902 1.00 0.00 O ATOM 386 CB ASN A 26 -5.648 -4.429 -5.056 1.00 0.00 C ATOM 387 CG ASN A 26 -6.341 -5.744 -5.358 1.00 0.00 C ATOM 388 OD1 ASN A 26 -5.724 -6.808 -5.313 1.00 0.00 O ATOM 389 ND2 ASN A 26 -7.631 -5.675 -5.668 1.00 0.00 N ATOM 0 H ASN A 26 -6.664 -5.030 -2.879 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.000 -5.161 -3.888 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.393 -3.636 -4.987 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.986 -4.172 -5.883 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.151 -6.527 -5.881 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.102 -4.771 -5.693 1.00 0.00 H new ATOM 396 N PHE A 27 -5.038 -2.348 -2.619 1.00 0.00 N ATOM 397 CA PHE A 27 -4.630 -1.003 -2.228 1.00 0.00 C ATOM 398 C PHE A 27 -3.824 -1.035 -0.933 1.00 0.00 C ATOM 399 O PHE A 27 -2.797 -0.366 -0.813 1.00 0.00 O ATOM 400 CB PHE A 27 -5.857 -0.105 -2.057 1.00 0.00 C ATOM 401 CG PHE A 27 -6.613 0.127 -3.334 1.00 0.00 C ATOM 402 CD1 PHE A 27 -5.970 0.628 -4.454 1.00 0.00 C ATOM 403 CD2 PHE A 27 -7.967 -0.157 -3.414 1.00 0.00 C ATOM 404 CE1 PHE A 27 -6.663 0.842 -5.631 1.00 0.00 C ATOM 405 CE2 PHE A 27 -8.665 0.054 -4.588 1.00 0.00 C ATOM 406 CZ PHE A 27 -8.013 0.555 -5.697 1.00 0.00 C ATOM 0 H PHE A 27 -5.925 -2.652 -2.219 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.999 -0.597 -3.018 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.527 -0.555 -1.324 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.540 0.856 -1.652 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.915 0.854 -4.407 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.483 -0.548 -2.549 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.150 1.233 -6.497 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.720 -0.173 -4.638 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.557 0.722 -6.615 1.00 0.00 H new ATOM 416 N ILE A 28 -4.297 -1.815 0.033 1.00 0.00 N ATOM 417 CA ILE A 28 -3.621 -1.934 1.318 1.00 0.00 C ATOM 418 C ILE A 28 -4.046 -3.204 2.048 1.00 0.00 C ATOM 419 O ILE A 28 -5.231 -3.418 2.304 1.00 0.00 O ATOM 420 CB ILE A 28 -3.907 -0.718 2.219 1.00 0.00 C ATOM 421 CG1 ILE A 28 -3.036 -0.771 3.476 1.00 0.00 C ATOM 422 CG2 ILE A 28 -5.381 -0.670 2.592 1.00 0.00 C ATOM 423 CD1 ILE A 28 -2.893 0.566 4.169 1.00 0.00 C ATOM 0 H ILE A 28 -5.146 -2.374 -0.050 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.552 -1.978 1.109 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.662 0.190 1.667 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.464 -1.489 4.175 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.046 -1.139 3.207 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.567 0.195 3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.983 -0.590 1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.650 -1.580 3.128 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.263 0.453 5.051 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.436 1.283 3.486 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.877 0.927 4.469 1.00 0.00 H new ATOM 435 N ARG A 29 -3.071 -4.043 2.380 1.00 0.00 N ATOM 436 CA ARG A 29 -3.343 -5.292 3.081 1.00 0.00 C ATOM 437 C ARG A 29 -2.437 -5.441 4.300 1.00 0.00 C ATOM 438 O ARG A 29 -1.437 -4.735 4.432 1.00 0.00 O ATOM 439 CB ARG A 29 -3.149 -6.482 2.140 1.00 0.00 C ATOM 440 CG ARG A 29 -1.712 -6.974 2.067 1.00 0.00 C ATOM 441 CD ARG A 29 -1.384 -7.533 0.692 1.00 0.00 C ATOM 442 NE ARG A 29 -0.215 -8.408 0.722 1.00 0.00 N ATOM 443 CZ ARG A 29 0.013 -9.362 -0.174 1.00 0.00 C ATOM 444 NH1 ARG A 29 -0.845 -9.563 -1.165 1.00 0.00 N ATOM 445 NH2 ARG A 29 1.099 -10.118 -0.079 1.00 0.00 N ATOM 0 H ARG A 29 -2.085 -3.881 2.175 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.379 -5.270 3.420 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.788 -7.302 2.468 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.479 -6.201 1.140 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.033 -6.153 2.299 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.551 -7.744 2.822 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.242 -8.087 0.312 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.204 -6.711 -0.000 1.00 0.00 H new ATOM 0 HE ARG A 29 0.464 -8.280 1.472 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.682 -8.985 -1.240 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.668 -10.296 -1.852 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.760 -9.967 0.683 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.273 -10.850 -0.768 1.00 0.00 H new ATOM 459 N TRP A 30 -2.795 -6.362 5.187 1.00 0.00 N ATOM 460 CA TRP A 30 -2.014 -6.602 6.395 1.00 0.00 C ATOM 461 C TRP A 30 -0.699 -7.298 6.064 1.00 0.00 C ATOM 462 O TRP A 30 -0.688 -8.363 5.448 1.00 0.00 O ATOM 463 CB TRP A 30 -2.817 -7.447 7.386 1.00 0.00 C ATOM 464 CG TRP A 30 -3.757 -6.640 8.230 1.00 0.00 C ATOM 465 CD1 TRP A 30 -5.116 -6.765 8.291 1.00 0.00 C ATOM 466 CD2 TRP A 30 -3.408 -5.584 9.131 1.00 0.00 C ATOM 467 NE1 TRP A 30 -5.632 -5.849 9.176 1.00 0.00 N ATOM 468 CE2 TRP A 30 -4.605 -5.114 9.705 1.00 0.00 C ATOM 469 CE3 TRP A 30 -2.201 -4.991 9.510 1.00 0.00 C ATOM 470 CZ2 TRP A 30 -4.628 -4.078 10.636 1.00 0.00 C ATOM 471 CZ3 TRP A 30 -2.225 -3.964 10.434 1.00 0.00 C ATOM 472 CH2 TRP A 30 -3.431 -3.516 10.989 1.00 0.00 C ATOM 0 H TRP A 30 -3.620 -6.954 5.093 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.788 -5.637 6.849 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.386 -8.196 6.836 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -2.127 -7.985 8.036 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.699 -7.478 7.727 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.620 -5.735 9.402 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -1.266 -5.329 9.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.557 -3.731 11.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -1.298 -3.498 10.734 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -3.416 -2.712 11.709 1.00 0.00 H new ATOM 483 N GLU A 31 0.408 -6.689 6.478 1.00 0.00 N ATOM 484 CA GLU A 31 1.729 -7.252 6.223 1.00 0.00 C ATOM 485 C GLU A 31 2.126 -8.229 7.326 1.00 0.00 C ATOM 486 O GLU A 31 2.520 -9.363 7.053 1.00 0.00 O ATOM 487 CB GLU A 31 2.771 -6.136 6.117 1.00 0.00 C ATOM 488 CG GLU A 31 2.604 -5.263 4.884 1.00 0.00 C ATOM 489 CD GLU A 31 2.638 -6.061 3.595 1.00 0.00 C ATOM 490 OE1 GLU A 31 3.705 -6.623 3.272 1.00 0.00 O ATOM 491 OE2 GLU A 31 1.595 -6.124 2.910 1.00 0.00 O ATOM 0 H GLU A 31 0.416 -5.807 6.991 1.00 0.00 H new ATOM 0 HA GLU A 31 1.689 -7.794 5.278 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.711 -5.509 7.007 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.767 -6.580 6.106 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.658 -4.726 4.949 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.395 -4.514 4.864 1.00 0.00 H new ATOM 498 N ASP A 32 2.019 -7.781 8.572 1.00 0.00 N ATOM 499 CA ASP A 32 2.366 -8.615 9.717 1.00 0.00 C ATOM 500 C ASP A 32 1.297 -8.520 10.802 1.00 0.00 C ATOM 501 O ASP A 32 1.403 -7.712 11.724 1.00 0.00 O ATOM 502 CB ASP A 32 3.724 -8.200 10.285 1.00 0.00 C ATOM 503 CG ASP A 32 4.758 -7.966 9.201 1.00 0.00 C ATOM 504 OD1 ASP A 32 5.378 -8.953 8.751 1.00 0.00 O ATOM 505 OD2 ASP A 32 4.948 -6.798 8.803 1.00 0.00 O ATOM 0 H ASP A 32 1.695 -6.845 8.815 1.00 0.00 H new ATOM 0 HA ASP A 32 2.424 -9.649 9.377 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.606 -7.290 10.873 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.082 -8.974 10.964 1.00 0.00 H new ATOM 510 N LYS A 33 0.267 -9.351 10.684 1.00 0.00 N ATOM 511 CA LYS A 33 -0.822 -9.363 11.653 1.00 0.00 C ATOM 512 C LYS A 33 -0.288 -9.558 13.068 1.00 0.00 C ATOM 513 O LYS A 33 -0.939 -9.184 14.043 1.00 0.00 O ATOM 514 CB LYS A 33 -1.820 -10.473 11.316 1.00 0.00 C ATOM 515 CG LYS A 33 -2.935 -10.026 10.386 1.00 0.00 C ATOM 516 CD LYS A 33 -4.119 -9.471 11.161 1.00 0.00 C ATOM 517 CE LYS A 33 -5.405 -9.564 10.355 1.00 0.00 C ATOM 518 NZ LYS A 33 -6.602 -9.684 11.234 1.00 0.00 N ATOM 0 H LYS A 33 0.164 -10.026 9.926 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.329 -8.400 11.604 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.285 -11.304 10.855 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.258 -10.849 12.240 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.557 -9.265 9.703 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.261 -10.868 9.776 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.233 -10.020 12.095 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.928 -8.431 11.424 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.504 -8.680 9.725 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.355 -10.426 9.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.459 -9.745 10.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.520 -10.541 11.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.664 -8.850 11.852 1.00 0.00 H new ATOM 532 N GLU A 34 0.900 -10.144 13.173 1.00 0.00 N ATOM 533 CA GLU A 34 1.521 -10.387 14.470 1.00 0.00 C ATOM 534 C GLU A 34 1.941 -9.075 15.126 1.00 0.00 C ATOM 535 O GLU A 34 1.827 -8.912 16.341 1.00 0.00 O ATOM 536 CB GLU A 34 2.735 -11.305 14.315 1.00 0.00 C ATOM 537 CG GLU A 34 3.463 -11.134 12.993 1.00 0.00 C ATOM 538 CD GLU A 34 2.917 -12.037 11.905 1.00 0.00 C ATOM 539 OE1 GLU A 34 2.029 -12.862 12.209 1.00 0.00 O ATOM 540 OE2 GLU A 34 3.376 -11.921 10.749 1.00 0.00 O ATOM 0 H GLU A 34 1.452 -10.459 12.375 1.00 0.00 H new ATOM 0 HA GLU A 34 0.786 -10.874 15.111 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.432 -11.113 15.131 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.411 -12.341 14.410 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.385 -10.096 12.671 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.523 -11.344 13.136 1.00 0.00 H new ATOM 547 N SER A 35 2.429 -8.143 14.313 1.00 0.00 N ATOM 548 CA SER A 35 2.871 -6.847 14.815 1.00 0.00 C ATOM 549 C SER A 35 2.001 -5.724 14.258 1.00 0.00 C ATOM 550 O SER A 35 2.428 -4.572 14.181 1.00 0.00 O ATOM 551 CB SER A 35 4.335 -6.606 14.443 1.00 0.00 C ATOM 552 OG SER A 35 5.206 -7.171 15.407 1.00 0.00 O ATOM 0 H SER A 35 2.528 -8.261 13.305 1.00 0.00 H new ATOM 0 HA SER A 35 2.775 -6.853 15.901 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.541 -7.039 13.464 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.522 -5.535 14.363 1.00 0.00 H new ATOM 0 HG SER A 35 6.136 -7.005 15.145 1.00 0.00 H new ATOM 558 N LYS A 36 0.777 -6.069 13.871 1.00 0.00 N ATOM 559 CA LYS A 36 -0.156 -5.091 13.323 1.00 0.00 C ATOM 560 C LYS A 36 0.543 -4.171 12.327 1.00 0.00 C ATOM 561 O LYS A 36 0.414 -2.949 12.401 1.00 0.00 O ATOM 562 CB LYS A 36 -0.779 -4.263 14.448 1.00 0.00 C ATOM 563 CG LYS A 36 -1.960 -4.942 15.121 1.00 0.00 C ATOM 564 CD LYS A 36 -2.568 -4.062 16.200 1.00 0.00 C ATOM 565 CE LYS A 36 -3.665 -3.170 15.639 1.00 0.00 C ATOM 566 NZ LYS A 36 -3.111 -1.935 15.017 1.00 0.00 N ATOM 0 H LYS A 36 0.408 -7.018 13.927 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.944 -5.632 12.800 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.016 -4.052 15.198 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.104 -3.304 14.045 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.718 -5.180 14.375 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.637 -5.886 15.559 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.976 -4.687 16.994 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.790 -3.445 16.649 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.240 -3.724 14.897 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.355 -2.897 16.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.800 -1.161 15.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.228 -1.670 15.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.918 -2.110 14.010 1.00 0.00 H new ATOM 580 N ILE A 37 1.282 -4.766 11.396 1.00 0.00 N ATOM 581 CA ILE A 37 1.998 -3.999 10.385 1.00 0.00 C ATOM 582 C ILE A 37 1.247 -4.002 9.058 1.00 0.00 C ATOM 583 O ILE A 37 0.887 -5.059 8.538 1.00 0.00 O ATOM 584 CB ILE A 37 3.418 -4.552 10.160 1.00 0.00 C ATOM 585 CG1 ILE A 37 4.218 -4.509 11.463 1.00 0.00 C ATOM 586 CG2 ILE A 37 4.128 -3.762 9.070 1.00 0.00 C ATOM 587 CD1 ILE A 37 5.621 -5.060 11.330 1.00 0.00 C ATOM 0 H ILE A 37 1.400 -5.776 11.321 1.00 0.00 H new ATOM 0 HA ILE A 37 2.070 -2.977 10.757 1.00 0.00 H new ATOM 0 HB ILE A 37 3.340 -5.590 9.837 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.273 -3.478 11.812 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.685 -5.076 12.226 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.130 -4.165 8.923 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.566 -3.839 8.140 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.198 -2.715 9.366 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.129 -4.998 12.292 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.574 -6.101 11.011 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.172 -4.478 10.591 1.00 0.00 H new ATOM 599 N PHE A 38 1.015 -2.813 8.512 1.00 0.00 N ATOM 600 CA PHE A 38 0.308 -2.678 7.244 1.00 0.00 C ATOM 601 C PHE A 38 1.170 -1.953 6.215 1.00 0.00 C ATOM 602 O PHE A 38 2.108 -1.238 6.568 1.00 0.00 O ATOM 603 CB PHE A 38 -1.007 -1.923 7.448 1.00 0.00 C ATOM 604 CG PHE A 38 -0.823 -0.532 7.981 1.00 0.00 C ATOM 605 CD1 PHE A 38 -0.393 -0.326 9.282 1.00 0.00 C ATOM 606 CD2 PHE A 38 -1.080 0.571 7.182 1.00 0.00 C ATOM 607 CE1 PHE A 38 -0.224 0.954 9.776 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.912 1.853 7.671 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.482 2.045 8.969 1.00 0.00 C ATOM 0 H PHE A 38 1.307 -1.929 8.928 1.00 0.00 H new ATOM 0 HA PHE A 38 0.091 -3.678 6.869 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.538 -1.872 6.498 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.637 -2.487 8.136 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.188 -1.175 9.917 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.415 0.427 6.166 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.110 1.101 10.793 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.117 2.704 7.038 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.348 3.046 9.352 1.00 0.00 H new ATOM 619 N ARG A 39 0.845 -2.144 4.940 1.00 0.00 N ATOM 620 CA ARG A 39 1.589 -1.511 3.859 1.00 0.00 C ATOM 621 C ARG A 39 0.656 -1.100 2.724 1.00 0.00 C ATOM 622 O ARG A 39 -0.100 -1.920 2.201 1.00 0.00 O ATOM 623 CB ARG A 39 2.668 -2.458 3.330 1.00 0.00 C ATOM 624 CG ARG A 39 3.368 -1.948 2.081 1.00 0.00 C ATOM 625 CD ARG A 39 3.827 -3.093 1.192 1.00 0.00 C ATOM 626 NE ARG A 39 5.142 -3.594 1.581 1.00 0.00 N ATOM 627 CZ ARG A 39 5.608 -4.787 1.228 1.00 0.00 C ATOM 628 NH1 ARG A 39 4.870 -5.596 0.480 1.00 0.00 N ATOM 629 NH2 ARG A 39 6.815 -5.172 1.621 1.00 0.00 N ATOM 0 H ARG A 39 0.071 -2.732 4.631 1.00 0.00 H new ATOM 0 HA ARG A 39 2.066 -0.615 4.256 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.411 -2.621 4.111 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.215 -3.426 3.113 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.692 -1.301 1.522 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.227 -1.341 2.366 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.101 -3.904 1.242 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.859 -2.757 0.156 1.00 0.00 H new ATOM 0 HE ARG A 39 5.735 -2.995 2.155 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.942 -5.303 0.174 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.230 -6.511 0.210 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.386 -4.552 2.195 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.172 -6.088 1.349 1.00 0.00 H new ATOM 643 N ILE A 40 0.714 0.173 2.347 1.00 0.00 N ATOM 644 CA ILE A 40 -0.125 0.691 1.274 1.00 0.00 C ATOM 645 C ILE A 40 0.370 0.217 -0.088 1.00 0.00 C ATOM 646 O ILE A 40 1.212 0.861 -0.713 1.00 0.00 O ATOM 647 CB ILE A 40 -0.167 2.230 1.286 1.00 0.00 C ATOM 648 CG1 ILE A 40 -1.056 2.730 2.426 1.00 0.00 C ATOM 649 CG2 ILE A 40 -0.666 2.756 -0.052 1.00 0.00 C ATOM 650 CD1 ILE A 40 -1.158 4.237 2.498 1.00 0.00 C ATOM 0 H ILE A 40 1.334 0.865 2.769 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.131 0.307 1.446 1.00 0.00 H new ATOM 0 HB ILE A 40 0.844 2.605 1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.055 2.312 2.306 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.665 2.355 3.372 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.690 3.845 -0.028 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.004 2.425 -0.846 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.669 2.375 -0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.804 4.519 3.330 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.166 4.662 2.649 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.578 4.618 1.567 1.00 0.00 H new ATOM 662 N VAL A 41 -0.161 -0.913 -0.544 1.00 0.00 N ATOM 663 CA VAL A 41 0.224 -1.473 -1.834 1.00 0.00 C ATOM 664 C VAL A 41 0.232 -0.401 -2.918 1.00 0.00 C ATOM 665 O VAL A 41 1.217 -0.240 -3.639 1.00 0.00 O ATOM 666 CB VAL A 41 -0.725 -2.609 -2.259 1.00 0.00 C ATOM 667 CG1 VAL A 41 -0.287 -3.201 -3.590 1.00 0.00 C ATOM 668 CG2 VAL A 41 -0.784 -3.683 -1.183 1.00 0.00 C ATOM 0 H VAL A 41 -0.859 -1.459 -0.039 1.00 0.00 H new ATOM 0 HA VAL A 41 1.230 -1.875 -1.716 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.726 -2.196 -2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.969 -4.002 -3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.300 -2.425 -4.355 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.723 -3.601 -3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.459 -4.478 -1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.213 -4.095 -1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.148 -3.247 -0.253 1.00 0.00 H new ATOM 678 N ASP A 42 -0.871 0.331 -3.027 1.00 0.00 N ATOM 679 CA ASP A 42 -0.992 1.390 -4.022 1.00 0.00 C ATOM 680 C ASP A 42 -1.523 2.673 -3.389 1.00 0.00 C ATOM 681 O ASP A 42 -2.717 2.817 -3.129 1.00 0.00 O ATOM 682 CB ASP A 42 -1.914 0.948 -5.159 1.00 0.00 C ATOM 683 CG ASP A 42 -1.701 1.756 -6.424 1.00 0.00 C ATOM 684 OD1 ASP A 42 -2.245 2.877 -6.511 1.00 0.00 O ATOM 685 OD2 ASP A 42 -0.991 1.267 -7.328 1.00 0.00 O ATOM 0 H ASP A 42 -1.695 0.210 -2.438 1.00 0.00 H new ATOM 0 HA ASP A 42 0.000 1.590 -4.426 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.743 -0.107 -5.372 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.952 1.045 -4.840 1.00 0.00 H new ATOM 690 N PRO A 43 -0.615 3.626 -3.133 1.00 0.00 N ATOM 691 CA PRO A 43 -0.968 4.913 -2.527 1.00 0.00 C ATOM 692 C PRO A 43 -1.775 5.797 -3.472 1.00 0.00 C ATOM 693 O PRO A 43 -2.595 6.603 -3.035 1.00 0.00 O ATOM 694 CB PRO A 43 0.391 5.550 -2.229 1.00 0.00 C ATOM 695 CG PRO A 43 1.325 4.925 -3.207 1.00 0.00 C ATOM 696 CD PRO A 43 0.826 3.522 -3.417 1.00 0.00 C ATOM 0 HA PRO A 43 -1.598 4.789 -1.646 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.356 6.633 -2.351 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.703 5.355 -1.203 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.336 5.480 -4.145 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.346 4.923 -2.825 1.00 0.00 H new ATOM 0 HD2 PRO A 43 1.011 3.178 -4.435 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.318 2.816 -2.747 1.00 0.00 H new ATOM 704 N ASN A 44 -1.537 5.639 -4.770 1.00 0.00 N ATOM 705 CA ASN A 44 -2.242 6.424 -5.777 1.00 0.00 C ATOM 706 C ASN A 44 -3.739 6.130 -5.746 1.00 0.00 C ATOM 707 O ASN A 44 -4.562 7.024 -5.934 1.00 0.00 O ATOM 708 CB ASN A 44 -1.682 6.127 -7.170 1.00 0.00 C ATOM 709 CG ASN A 44 -2.010 7.218 -8.170 1.00 0.00 C ATOM 710 OD1 ASN A 44 -1.572 8.360 -8.026 1.00 0.00 O ATOM 711 ND2 ASN A 44 -2.786 6.871 -9.191 1.00 0.00 N ATOM 0 H ASN A 44 -0.862 4.975 -5.149 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.092 7.479 -5.549 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.600 6.010 -7.106 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.085 5.179 -7.526 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.042 7.563 -9.896 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.126 5.913 -9.270 1.00 0.00 H new ATOM 718 N GLY A 45 -4.084 4.868 -5.507 1.00 0.00 N ATOM 719 CA GLY A 45 -5.481 4.478 -5.456 1.00 0.00 C ATOM 720 C GLY A 45 -6.044 4.525 -4.049 1.00 0.00 C ATOM 721 O GLY A 45 -7.249 4.367 -3.849 1.00 0.00 O ATOM 0 H GLY A 45 -3.421 4.109 -5.348 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.063 5.138 -6.099 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.588 3.469 -5.854 1.00 0.00 H new ATOM 725 N LEU A 46 -5.172 4.743 -3.071 1.00 0.00 N ATOM 726 CA LEU A 46 -5.589 4.809 -1.675 1.00 0.00 C ATOM 727 C LEU A 46 -5.868 6.249 -1.258 1.00 0.00 C ATOM 728 O LEU A 46 -6.885 6.537 -0.628 1.00 0.00 O ATOM 729 CB LEU A 46 -4.512 4.205 -0.771 1.00 0.00 C ATOM 730 CG LEU A 46 -4.918 3.956 0.682 1.00 0.00 C ATOM 731 CD1 LEU A 46 -5.394 5.246 1.331 1.00 0.00 C ATOM 732 CD2 LEU A 46 -5.998 2.887 0.759 1.00 0.00 C ATOM 0 H LEU A 46 -4.172 4.877 -3.219 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.509 4.234 -1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.191 3.258 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.647 4.868 -0.777 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.044 3.600 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.679 5.050 2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.590 5.982 1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.254 5.632 0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.274 2.723 1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.874 3.214 0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.621 1.957 0.333 1.00 0.00 H new ATOM 744 N ALA A 47 -4.960 7.151 -1.616 1.00 0.00 N ATOM 745 CA ALA A 47 -5.111 8.562 -1.283 1.00 0.00 C ATOM 746 C ALA A 47 -6.455 9.099 -1.765 1.00 0.00 C ATOM 747 O ALA A 47 -7.199 9.712 -1.000 1.00 0.00 O ATOM 748 CB ALA A 47 -3.971 9.371 -1.884 1.00 0.00 C ATOM 0 H ALA A 47 -4.112 6.929 -2.137 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.078 8.659 -0.198 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.097 10.423 -1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.021 9.012 -1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.977 9.259 -2.968 1.00 0.00 H new ATOM 754 N ARG A 48 -6.758 8.864 -3.038 1.00 0.00 N ATOM 755 CA ARG A 48 -8.012 9.327 -3.621 1.00 0.00 C ATOM 756 C ARG A 48 -9.190 9.000 -2.708 1.00 0.00 C ATOM 757 O ARG A 48 -10.036 9.854 -2.439 1.00 0.00 O ATOM 758 CB ARG A 48 -8.225 8.688 -4.995 1.00 0.00 C ATOM 759 CG ARG A 48 -7.714 7.260 -5.089 1.00 0.00 C ATOM 760 CD ARG A 48 -8.132 6.603 -6.395 1.00 0.00 C ATOM 761 NE ARG A 48 -8.305 5.160 -6.251 1.00 0.00 N ATOM 762 CZ ARG A 48 -9.067 4.427 -7.056 1.00 0.00 C ATOM 763 NH1 ARG A 48 -9.722 5.000 -8.057 1.00 0.00 N ATOM 764 NH2 ARG A 48 -9.174 3.119 -6.861 1.00 0.00 N ATOM 0 H ARG A 48 -6.153 8.357 -3.684 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.953 10.409 -3.735 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.289 8.700 -5.231 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -7.724 9.294 -5.750 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.627 7.256 -5.010 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -8.097 6.679 -4.250 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -9.065 7.047 -6.742 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.380 6.804 -7.159 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.814 4.689 -5.491 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.641 6.005 -8.210 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -10.306 4.435 -8.674 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.671 2.675 -6.093 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.759 2.557 -7.479 1.00 0.00 H new ATOM 778 N LEU A 49 -9.239 7.759 -2.236 1.00 0.00 N ATOM 779 CA LEU A 49 -10.314 7.319 -1.353 1.00 0.00 C ATOM 780 C LEU A 49 -10.407 8.213 -0.120 1.00 0.00 C ATOM 781 O LEU A 49 -11.494 8.638 0.270 1.00 0.00 O ATOM 782 CB LEU A 49 -10.089 5.867 -0.929 1.00 0.00 C ATOM 783 CG LEU A 49 -9.901 4.858 -2.062 1.00 0.00 C ATOM 784 CD1 LEU A 49 -9.199 3.608 -1.553 1.00 0.00 C ATOM 785 CD2 LEU A 49 -11.242 4.501 -2.687 1.00 0.00 C ATOM 0 H LEU A 49 -8.548 7.040 -2.450 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.253 7.390 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.209 5.829 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.939 5.550 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.275 5.315 -2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.074 2.901 -2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.221 3.877 -1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.798 3.149 -0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.089 3.782 -3.492 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -11.892 4.064 -1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.707 5.401 -3.089 1.00 0.00 H new ATOM 797 N TRP A 50 -9.260 8.495 0.486 1.00 0.00 N ATOM 798 CA TRP A 50 -9.211 9.340 1.674 1.00 0.00 C ATOM 799 C TRP A 50 -9.714 10.746 1.363 1.00 0.00 C ATOM 800 O TRP A 50 -10.538 11.296 2.091 1.00 0.00 O ATOM 801 CB TRP A 50 -7.785 9.405 2.222 1.00 0.00 C ATOM 802 CG TRP A 50 -7.529 10.612 3.072 1.00 0.00 C ATOM 803 CD1 TRP A 50 -6.888 11.758 2.697 1.00 0.00 C ATOM 804 CD2 TRP A 50 -7.906 10.791 4.442 1.00 0.00 C ATOM 805 NE1 TRP A 50 -6.845 12.639 3.751 1.00 0.00 N ATOM 806 CE2 TRP A 50 -7.464 12.069 4.832 1.00 0.00 C ATOM 807 CE3 TRP A 50 -8.577 9.996 5.375 1.00 0.00 C ATOM 808 CZ2 TRP A 50 -7.670 12.568 6.116 1.00 0.00 C ATOM 809 CZ3 TRP A 50 -8.781 10.493 6.649 1.00 0.00 C ATOM 810 CH2 TRP A 50 -8.329 11.769 7.010 1.00 0.00 C ATOM 0 H TRP A 50 -8.351 8.151 0.175 1.00 0.00 H new ATOM 0 HA TRP A 50 -9.862 8.900 2.429 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -7.588 8.508 2.809 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.083 9.401 1.388 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -6.476 11.945 1.716 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -6.421 13.567 3.732 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -8.930 9.011 5.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -7.322 13.551 6.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -9.298 9.887 7.379 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -8.504 12.129 8.013 1.00 0.00 H new ATOM 821 N GLY A 51 -9.211 11.322 0.275 1.00 0.00 N ATOM 822 CA GLY A 51 -9.621 12.659 -0.113 1.00 0.00 C ATOM 823 C GLY A 51 -11.127 12.798 -0.210 1.00 0.00 C ATOM 824 O GLY A 51 -11.718 13.673 0.421 1.00 0.00 O ATOM 0 H GLY A 51 -8.527 10.887 -0.344 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.239 13.378 0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.173 12.908 -1.075 1.00 0.00 H new ATOM 828 N ASN A 52 -11.750 11.933 -1.004 1.00 0.00 N ATOM 829 CA ASN A 52 -13.197 11.965 -1.184 1.00 0.00 C ATOM 830 C ASN A 52 -13.914 11.848 0.158 1.00 0.00 C ATOM 831 O ASN A 52 -14.938 12.493 0.386 1.00 0.00 O ATOM 832 CB ASN A 52 -13.642 10.835 -2.113 1.00 0.00 C ATOM 833 CG ASN A 52 -14.921 11.167 -2.857 1.00 0.00 C ATOM 834 OD1 ASN A 52 -15.318 12.329 -2.943 1.00 0.00 O ATOM 835 ND2 ASN A 52 -15.573 10.145 -3.398 1.00 0.00 N ATOM 0 H ASN A 52 -11.275 11.201 -1.533 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.461 12.921 -1.635 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.850 10.627 -2.833 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.790 9.926 -1.530 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.440 10.307 -3.910 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -15.207 9.198 -3.302 1.00 0.00 H new ATOM 842 N HIS A 53 -13.369 11.020 1.043 1.00 0.00 N ATOM 843 CA HIS A 53 -13.956 10.818 2.364 1.00 0.00 C ATOM 844 C HIS A 53 -14.166 12.151 3.074 1.00 0.00 C ATOM 845 O HIS A 53 -15.248 12.426 3.594 1.00 0.00 O ATOM 846 CB HIS A 53 -13.061 9.911 3.209 1.00 0.00 C ATOM 847 CG HIS A 53 -13.748 9.347 4.415 1.00 0.00 C ATOM 848 ND1 HIS A 53 -13.521 8.070 4.882 1.00 0.00 N ATOM 849 CD2 HIS A 53 -14.660 9.895 5.251 1.00 0.00 C ATOM 850 CE1 HIS A 53 -14.265 7.856 5.952 1.00 0.00 C ATOM 851 NE2 HIS A 53 -14.965 8.949 6.198 1.00 0.00 N ATOM 0 H HIS A 53 -12.522 10.478 0.870 1.00 0.00 H new ATOM 0 HA HIS A 53 -14.927 10.339 2.235 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -12.701 9.090 2.589 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -12.186 10.475 3.530 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -15.071 10.891 5.185 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.296 6.943 6.528 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -15.625 9.070 6.966 1.00 0.00 H new ATOM 860 N LYS A 54 -13.124 12.976 3.094 1.00 0.00 N ATOM 861 CA LYS A 54 -13.194 14.282 3.740 1.00 0.00 C ATOM 862 C LYS A 54 -13.676 15.348 2.762 1.00 0.00 C ATOM 863 O LYS A 54 -13.426 16.537 2.953 1.00 0.00 O ATOM 864 CB LYS A 54 -11.824 14.670 4.300 1.00 0.00 C ATOM 865 CG LYS A 54 -11.222 13.619 5.218 1.00 0.00 C ATOM 866 CD LYS A 54 -12.030 13.466 6.495 1.00 0.00 C ATOM 867 CE LYS A 54 -11.566 14.440 7.568 1.00 0.00 C ATOM 868 NZ LYS A 54 -12.303 15.732 7.500 1.00 0.00 N ATOM 0 H LYS A 54 -12.221 12.763 2.670 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.910 14.217 4.559 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.140 14.851 3.471 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.917 15.608 4.847 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.178 12.662 4.698 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.197 13.895 5.466 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.086 13.634 6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.938 12.445 6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.708 13.992 8.551 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.498 14.625 7.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.718 16.440 7.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.192 15.597 6.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.514 16.062 8.463 1.00 0.00 H new ATOM 882 N ASN A 55 -14.368 14.914 1.714 1.00 0.00 N ATOM 883 CA ASN A 55 -14.886 15.832 0.706 1.00 0.00 C ATOM 884 C ASN A 55 -13.778 16.736 0.174 1.00 0.00 C ATOM 885 O ASN A 55 -13.936 17.955 0.109 1.00 0.00 O ATOM 886 CB ASN A 55 -16.015 16.682 1.292 1.00 0.00 C ATOM 887 CG ASN A 55 -17.169 15.839 1.800 1.00 0.00 C ATOM 888 OD1 ASN A 55 -17.806 15.114 1.035 1.00 0.00 O ATOM 889 ND2 ASN A 55 -17.444 15.931 3.096 1.00 0.00 N ATOM 0 H ASN A 55 -14.583 13.932 1.540 1.00 0.00 H new ATOM 0 HA ASN A 55 -15.278 15.240 -0.121 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.624 17.288 2.109 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -16.380 17.372 0.531 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -18.210 15.388 3.495 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -16.889 16.545 3.693 1.00 0.00 H new ATOM 896 N ARG A 56 -12.659 16.129 -0.206 1.00 0.00 N ATOM 897 CA ARG A 56 -11.524 16.879 -0.733 1.00 0.00 C ATOM 898 C ARG A 56 -11.409 16.702 -2.244 1.00 0.00 C ATOM 899 O ARG A 56 -12.169 15.946 -2.851 1.00 0.00 O ATOM 900 CB ARG A 56 -10.229 16.428 -0.056 1.00 0.00 C ATOM 901 CG ARG A 56 -10.114 16.868 1.395 1.00 0.00 C ATOM 902 CD ARG A 56 -9.870 18.365 1.504 1.00 0.00 C ATOM 903 NE ARG A 56 -8.710 18.790 0.725 1.00 0.00 N ATOM 904 CZ ARG A 56 -7.457 18.680 1.154 1.00 0.00 C ATOM 905 NH1 ARG A 56 -7.205 18.161 2.347 1.00 0.00 N ATOM 906 NH2 ARG A 56 -6.455 19.088 0.387 1.00 0.00 N ATOM 0 H ARG A 56 -12.513 15.121 -0.159 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.689 17.935 -0.520 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.164 15.341 -0.103 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.380 16.823 -0.615 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.028 16.607 1.929 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.298 16.329 1.877 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.754 18.902 1.160 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.722 18.633 2.550 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.870 19.193 -0.198 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.974 17.845 2.938 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.242 18.078 2.674 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.646 19.486 -0.532 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.493 19.003 0.716 1.00 0.00 H new ATOM 920 N THR A 57 -10.455 17.404 -2.846 1.00 0.00 N ATOM 921 CA THR A 57 -10.241 17.326 -4.286 1.00 0.00 C ATOM 922 C THR A 57 -8.754 17.285 -4.620 1.00 0.00 C ATOM 923 O THR A 57 -7.954 18.001 -4.019 1.00 0.00 O ATOM 924 CB THR A 57 -10.887 18.519 -5.015 1.00 0.00 C ATOM 925 OG1 THR A 57 -12.066 18.939 -4.319 1.00 0.00 O ATOM 926 CG2 THR A 57 -11.242 18.150 -6.447 1.00 0.00 C ATOM 0 H THR A 57 -9.817 18.034 -2.359 1.00 0.00 H new ATOM 0 HA THR A 57 -10.712 16.404 -4.626 1.00 0.00 H new ATOM 0 HB THR A 57 -10.167 19.337 -5.035 1.00 0.00 H new ATOM 0 HG1 THR A 57 -12.470 19.699 -4.788 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.697 19.008 -6.942 1.00 0.00 H new ATOM 0 HG22 THR A 57 -10.338 17.859 -6.983 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.946 17.318 -6.444 1.00 0.00 H new ATOM 934 N ASN A 58 -8.391 16.444 -5.582 1.00 0.00 N ATOM 935 CA ASN A 58 -6.999 16.310 -5.996 1.00 0.00 C ATOM 936 C ASN A 58 -6.114 15.930 -4.813 1.00 0.00 C ATOM 937 O ASN A 58 -5.026 16.479 -4.638 1.00 0.00 O ATOM 938 CB ASN A 58 -6.504 17.617 -6.620 1.00 0.00 C ATOM 939 CG ASN A 58 -5.267 17.417 -7.475 1.00 0.00 C ATOM 940 OD1 ASN A 58 -4.163 17.244 -6.959 1.00 0.00 O ATOM 941 ND2 ASN A 58 -5.448 17.439 -8.790 1.00 0.00 N ATOM 0 H ASN A 58 -9.041 15.845 -6.090 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.941 15.515 -6.740 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.298 18.049 -7.229 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.284 18.334 -5.829 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.654 17.309 -9.416 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -6.382 17.586 -9.174 1.00 0.00 H new ATOM 948 N MET A 59 -6.588 14.988 -4.005 1.00 0.00 N ATOM 949 CA MET A 59 -5.839 14.533 -2.839 1.00 0.00 C ATOM 950 C MET A 59 -4.713 13.590 -3.251 1.00 0.00 C ATOM 951 O MET A 59 -4.955 12.541 -3.849 1.00 0.00 O ATOM 952 CB MET A 59 -6.770 13.832 -1.849 1.00 0.00 C ATOM 953 CG MET A 59 -6.035 13.068 -0.759 1.00 0.00 C ATOM 954 SD MET A 59 -5.361 14.152 0.514 1.00 0.00 S ATOM 955 CE MET A 59 -6.846 14.570 1.424 1.00 0.00 C ATOM 0 H MET A 59 -7.487 14.525 -4.136 1.00 0.00 H new ATOM 0 HA MET A 59 -5.400 15.407 -2.357 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.420 14.575 -1.386 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.413 13.142 -2.394 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.717 12.353 -0.298 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.225 12.492 -1.207 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.576 14.908 2.424 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.380 15.365 0.904 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.487 13.691 1.499 1.00 0.00 H new ATOM 965 N THR A 60 -3.480 13.970 -2.927 1.00 0.00 N ATOM 966 CA THR A 60 -2.318 13.159 -3.265 1.00 0.00 C ATOM 967 C THR A 60 -1.626 12.639 -2.010 1.00 0.00 C ATOM 968 O THR A 60 -1.701 13.257 -0.947 1.00 0.00 O ATOM 969 CB THR A 60 -1.301 13.956 -4.104 1.00 0.00 C ATOM 970 OG1 THR A 60 0.003 13.379 -3.972 1.00 0.00 O ATOM 971 CG2 THR A 60 -1.263 15.413 -3.667 1.00 0.00 C ATOM 0 H THR A 60 -3.262 14.834 -2.431 1.00 0.00 H new ATOM 0 HA THR A 60 -2.682 12.316 -3.852 1.00 0.00 H new ATOM 0 HB THR A 60 -1.612 13.914 -5.148 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.643 13.890 -4.510 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.538 15.956 -4.273 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.250 15.858 -3.796 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.974 15.471 -2.618 1.00 0.00 H new ATOM 979 N TYR A 61 -0.954 11.501 -2.138 1.00 0.00 N ATOM 980 CA TYR A 61 -0.250 10.897 -1.013 1.00 0.00 C ATOM 981 C TYR A 61 0.789 11.857 -0.442 1.00 0.00 C ATOM 982 O TYR A 61 1.155 11.767 0.730 1.00 0.00 O ATOM 983 CB TYR A 61 0.426 9.595 -1.446 1.00 0.00 C ATOM 984 CG TYR A 61 1.288 8.974 -0.371 1.00 0.00 C ATOM 985 CD1 TYR A 61 0.734 8.150 0.601 1.00 0.00 C ATOM 986 CD2 TYR A 61 2.656 9.212 -0.326 1.00 0.00 C ATOM 987 CE1 TYR A 61 1.518 7.580 1.586 1.00 0.00 C ATOM 988 CE2 TYR A 61 3.448 8.645 0.655 1.00 0.00 C ATOM 989 CZ TYR A 61 2.874 7.831 1.608 1.00 0.00 C ATOM 990 OH TYR A 61 3.659 7.266 2.587 1.00 0.00 O ATOM 0 H TYR A 61 -0.882 10.977 -3.010 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.982 10.677 -0.236 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.340 8.879 -1.744 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.040 9.789 -2.325 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.328 7.952 0.586 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.108 9.851 -1.070 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.072 6.942 2.334 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.510 8.839 0.675 1.00 0.00 H new ATOM 0 HH TYR A 61 4.591 7.542 2.459 1.00 0.00 H new ATOM 1000 N GLU A 62 1.258 12.777 -1.279 1.00 0.00 N ATOM 1001 CA GLU A 62 2.255 13.754 -0.857 1.00 0.00 C ATOM 1002 C GLU A 62 1.737 14.593 0.307 1.00 0.00 C ATOM 1003 O GLU A 62 2.462 14.861 1.266 1.00 0.00 O ATOM 1004 CB GLU A 62 2.635 14.665 -2.027 1.00 0.00 C ATOM 1005 CG GLU A 62 3.206 13.917 -3.220 1.00 0.00 C ATOM 1006 CD GLU A 62 4.710 13.747 -3.137 1.00 0.00 C ATOM 1007 OE1 GLU A 62 5.410 14.756 -2.906 1.00 0.00 O ATOM 1008 OE2 GLU A 62 5.188 12.605 -3.303 1.00 0.00 O ATOM 0 H GLU A 62 0.964 12.866 -2.252 1.00 0.00 H new ATOM 0 HA GLU A 62 3.140 13.211 -0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.753 15.220 -2.345 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.366 15.397 -1.684 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.736 12.936 -3.287 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.955 14.454 -4.135 1.00 0.00 H new ATOM 1015 N LYS A 63 0.477 15.006 0.217 1.00 0.00 N ATOM 1016 CA LYS A 63 -0.141 15.814 1.262 1.00 0.00 C ATOM 1017 C LYS A 63 -0.766 14.929 2.335 1.00 0.00 C ATOM 1018 O LYS A 63 -1.079 15.394 3.431 1.00 0.00 O ATOM 1019 CB LYS A 63 -1.205 16.735 0.660 1.00 0.00 C ATOM 1020 CG LYS A 63 -2.525 16.037 0.383 1.00 0.00 C ATOM 1021 CD LYS A 63 -3.567 17.008 -0.149 1.00 0.00 C ATOM 1022 CE LYS A 63 -3.272 17.411 -1.585 1.00 0.00 C ATOM 1023 NZ LYS A 63 -3.841 18.747 -1.914 1.00 0.00 N ATOM 0 H LYS A 63 -0.137 14.794 -0.570 1.00 0.00 H new ATOM 0 HA LYS A 63 0.636 16.422 1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.380 17.568 1.341 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.824 17.157 -0.270 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.370 15.236 -0.340 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.892 15.573 1.299 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.554 16.550 -0.094 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.593 17.897 0.481 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.194 17.426 -1.744 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.683 16.664 -2.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.618 18.986 -2.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.873 18.726 -1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.430 19.464 -1.283 1.00 0.00 H new ATOM 1037 N MET A 64 -0.944 13.652 2.013 1.00 0.00 N ATOM 1038 CA MET A 64 -1.530 12.702 2.952 1.00 0.00 C ATOM 1039 C MET A 64 -0.548 12.367 4.069 1.00 0.00 C ATOM 1040 O MET A 64 -0.852 12.544 5.249 1.00 0.00 O ATOM 1041 CB MET A 64 -1.947 11.423 2.223 1.00 0.00 C ATOM 1042 CG MET A 64 -2.950 10.583 2.996 1.00 0.00 C ATOM 1043 SD MET A 64 -3.797 9.379 1.954 1.00 0.00 S ATOM 1044 CE MET A 64 -3.048 7.854 2.522 1.00 0.00 C ATOM 0 H MET A 64 -0.691 13.251 1.110 1.00 0.00 H new ATOM 0 HA MET A 64 -2.413 13.164 3.394 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.376 11.689 1.257 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.060 10.822 2.024 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.436 10.061 3.803 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.687 11.239 3.459 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.701 7.278 1.664 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.203 8.083 3.171 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.784 7.272 3.077 1.00 0.00 H new ATOM 1054 N SER A 65 0.630 11.881 3.691 1.00 0.00 N ATOM 1055 CA SER A 65 1.655 11.517 4.662 1.00 0.00 C ATOM 1056 C SER A 65 1.663 12.493 5.834 1.00 0.00 C ATOM 1057 O SER A 65 1.995 12.124 6.961 1.00 0.00 O ATOM 1058 CB SER A 65 3.032 11.490 3.996 1.00 0.00 C ATOM 1059 OG SER A 65 3.458 12.798 3.654 1.00 0.00 O ATOM 0 H SER A 65 0.898 11.730 2.719 1.00 0.00 H new ATOM 0 HA SER A 65 1.424 10.522 5.042 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.757 11.033 4.670 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.994 10.870 3.100 1.00 0.00 H new ATOM 0 HG SER A 65 4.341 12.754 3.231 1.00 0.00 H new ATOM 1065 N ARG A 66 1.296 13.741 5.560 1.00 0.00 N ATOM 1066 CA ARG A 66 1.262 14.771 6.591 1.00 0.00 C ATOM 1067 C ARG A 66 0.848 14.181 7.936 1.00 0.00 C ATOM 1068 O ARG A 66 1.623 14.187 8.892 1.00 0.00 O ATOM 1069 CB ARG A 66 0.296 15.889 6.193 1.00 0.00 C ATOM 1070 CG ARG A 66 0.926 16.950 5.306 1.00 0.00 C ATOM 1071 CD ARG A 66 1.738 17.946 6.119 1.00 0.00 C ATOM 1072 NE ARG A 66 0.893 18.961 6.744 1.00 0.00 N ATOM 1073 CZ ARG A 66 1.342 20.144 7.147 1.00 0.00 C ATOM 1074 NH1 ARG A 66 2.620 20.460 6.991 1.00 0.00 N ATOM 1075 NH2 ARG A 66 0.511 21.014 7.707 1.00 0.00 N ATOM 0 H ARG A 66 1.018 14.063 4.633 1.00 0.00 H new ATOM 0 HA ARG A 66 2.266 15.185 6.689 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.557 15.453 5.673 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -0.089 16.364 7.096 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.569 16.473 4.566 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.146 17.477 4.757 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.297 17.415 6.890 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.469 18.431 5.472 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.096 18.749 6.878 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.261 19.794 6.560 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.962 21.369 7.301 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.473 20.774 7.828 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.856 21.923 8.016 1.00 0.00 H new ATOM 1089 N ALA A 67 -0.378 13.674 8.001 1.00 0.00 N ATOM 1090 CA ALA A 67 -0.895 13.079 9.228 1.00 0.00 C ATOM 1091 C ALA A 67 0.091 12.069 9.806 1.00 0.00 C ATOM 1092 O ALA A 67 0.696 12.306 10.853 1.00 0.00 O ATOM 1093 CB ALA A 67 -2.240 12.417 8.968 1.00 0.00 C ATOM 0 H ALA A 67 -1.032 13.663 7.219 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.030 13.875 9.960 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.614 11.977 9.893 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.949 13.163 8.608 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.122 11.636 8.217 1.00 0.00 H new ATOM 1099 N LEU A 68 0.249 10.944 9.119 1.00 0.00 N ATOM 1100 CA LEU A 68 1.162 9.897 9.564 1.00 0.00 C ATOM 1101 C LEU A 68 2.413 10.498 10.196 1.00 0.00 C ATOM 1102 O LEU A 68 2.762 10.178 11.333 1.00 0.00 O ATOM 1103 CB LEU A 68 1.552 8.998 8.389 1.00 0.00 C ATOM 1104 CG LEU A 68 0.461 8.060 7.871 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.491 7.677 8.994 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -0.299 8.708 6.723 1.00 0.00 C ATOM 0 H LEU A 68 -0.243 10.733 8.251 1.00 0.00 H new ATOM 0 HA LEU A 68 0.649 9.298 10.316 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.879 9.632 7.565 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.410 8.395 8.688 1.00 0.00 H new ATOM 0 HG LEU A 68 0.936 7.152 7.499 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.261 7.009 8.607 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.064 7.172 9.785 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.959 8.575 9.396 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.071 8.026 6.367 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.762 9.632 7.069 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.391 8.931 5.909 1.00 0.00 H new ATOM 1118 N ARG A 69 3.083 11.373 9.453 1.00 0.00 N ATOM 1119 CA ARG A 69 4.295 12.020 9.941 1.00 0.00 C ATOM 1120 C ARG A 69 4.065 12.637 11.317 1.00 0.00 C ATOM 1121 O ARG A 69 4.638 12.192 12.312 1.00 0.00 O ATOM 1122 CB ARG A 69 4.755 13.098 8.957 1.00 0.00 C ATOM 1123 CG ARG A 69 6.052 13.779 9.362 1.00 0.00 C ATOM 1124 CD ARG A 69 6.829 14.264 8.148 1.00 0.00 C ATOM 1125 NE ARG A 69 6.140 15.349 7.455 1.00 0.00 N ATOM 1126 CZ ARG A 69 6.746 16.198 6.633 1.00 0.00 C ATOM 1127 NH1 ARG A 69 8.047 16.088 6.403 1.00 0.00 N ATOM 1128 NH2 ARG A 69 6.051 17.159 6.038 1.00 0.00 N ATOM 0 H ARG A 69 2.807 11.650 8.511 1.00 0.00 H new ATOM 0 HA ARG A 69 5.073 11.261 10.027 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.883 12.648 7.972 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.973 13.851 8.864 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.832 14.623 10.016 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.666 13.084 9.934 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.816 14.603 8.461 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.981 13.433 7.459 1.00 0.00 H new ATOM 0 HE ARG A 69 5.138 15.461 7.611 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.585 15.350 6.858 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.510 16.741 5.771 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.050 17.247 6.212 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.518 17.810 5.407 1.00 0.00 H new ATOM 1142 N HIS A 70 3.224 13.665 11.366 1.00 0.00 N ATOM 1143 CA HIS A 70 2.919 14.344 12.620 1.00 0.00 C ATOM 1144 C HIS A 70 2.687 13.336 13.741 1.00 0.00 C ATOM 1145 O HIS A 70 2.991 13.604 14.904 1.00 0.00 O ATOM 1146 CB HIS A 70 1.686 15.234 12.456 1.00 0.00 C ATOM 1147 CG HIS A 70 0.916 15.431 13.725 1.00 0.00 C ATOM 1148 ND1 HIS A 70 1.351 16.242 14.752 1.00 0.00 N ATOM 1149 CD2 HIS A 70 -0.269 14.917 14.131 1.00 0.00 C ATOM 1150 CE1 HIS A 70 0.468 16.217 15.734 1.00 0.00 C ATOM 1151 NE2 HIS A 70 -0.525 15.421 15.382 1.00 0.00 N ATOM 0 H HIS A 70 2.742 14.046 10.552 1.00 0.00 H new ATOM 0 HA HIS A 70 3.774 14.966 12.885 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.998 16.207 12.076 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.028 14.795 11.706 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.219 16.778 14.753 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.896 14.237 13.574 1.00 0.00 H new ATOM 0 HE1 HIS A 70 0.545 16.756 16.667 1.00 0.00 H new ATOM 1160 N TYR A 71 2.146 12.176 13.385 1.00 0.00 N ATOM 1161 CA TYR A 71 1.871 11.129 14.361 1.00 0.00 C ATOM 1162 C TYR A 71 3.143 10.365 14.714 1.00 0.00 C ATOM 1163 O TYR A 71 3.345 9.969 15.862 1.00 0.00 O ATOM 1164 CB TYR A 71 0.816 10.162 13.820 1.00 0.00 C ATOM 1165 CG TYR A 71 -0.503 10.826 13.493 1.00 0.00 C ATOM 1166 CD1 TYR A 71 -1.068 11.756 14.358 1.00 0.00 C ATOM 1167 CD2 TYR A 71 -1.184 10.524 12.320 1.00 0.00 C ATOM 1168 CE1 TYR A 71 -2.273 12.364 14.064 1.00 0.00 C ATOM 1169 CE2 TYR A 71 -2.388 11.129 12.017 1.00 0.00 C ATOM 1170 CZ TYR A 71 -2.929 12.048 12.892 1.00 0.00 C ATOM 1171 OH TYR A 71 -4.129 12.652 12.595 1.00 0.00 O ATOM 0 H TYR A 71 1.889 11.937 12.427 1.00 0.00 H new ATOM 0 HA TYR A 71 1.490 11.603 15.266 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.203 9.680 12.922 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.645 9.376 14.555 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.556 12.007 15.275 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.764 9.804 11.633 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.699 13.083 14.748 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.903 10.884 11.100 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.677 12.043 12.057 1.00 0.00 H new ATOM 1181 N TYR A 72 3.999 10.162 13.718 1.00 0.00 N ATOM 1182 CA TYR A 72 5.251 9.444 13.922 1.00 0.00 C ATOM 1183 C TYR A 72 5.931 9.889 15.213 1.00 0.00 C ATOM 1184 O TYR A 72 6.313 9.065 16.044 1.00 0.00 O ATOM 1185 CB TYR A 72 6.190 9.667 12.735 1.00 0.00 C ATOM 1186 CG TYR A 72 5.691 9.056 11.445 1.00 0.00 C ATOM 1187 CD1 TYR A 72 4.512 8.322 11.412 1.00 0.00 C ATOM 1188 CD2 TYR A 72 6.400 9.211 10.260 1.00 0.00 C ATOM 1189 CE1 TYR A 72 4.053 7.761 10.236 1.00 0.00 C ATOM 1190 CE2 TYR A 72 5.947 8.655 9.079 1.00 0.00 C ATOM 1191 CZ TYR A 72 4.774 7.931 9.072 1.00 0.00 C ATOM 1192 OH TYR A 72 4.320 7.374 7.898 1.00 0.00 O ATOM 0 H TYR A 72 3.848 10.485 12.762 1.00 0.00 H new ATOM 0 HA TYR A 72 5.022 8.381 14.001 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.330 10.738 12.590 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.168 9.247 12.972 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.945 8.188 12.321 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.321 9.776 10.262 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.135 7.192 10.228 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.509 8.787 8.166 1.00 0.00 H new ATOM 0 HH TYR A 72 4.943 7.588 7.172 1.00 0.00 H new ATOM 1202 N LYS A 73 6.079 11.199 15.375 1.00 0.00 N ATOM 1203 CA LYS A 73 6.710 11.758 16.564 1.00 0.00 C ATOM 1204 C LYS A 73 5.894 11.441 17.813 1.00 0.00 C ATOM 1205 O LYS A 73 6.444 11.282 18.904 1.00 0.00 O ATOM 1206 CB LYS A 73 6.872 13.272 16.418 1.00 0.00 C ATOM 1207 CG LYS A 73 8.104 13.679 15.627 1.00 0.00 C ATOM 1208 CD LYS A 73 7.919 13.430 14.140 1.00 0.00 C ATOM 1209 CE LYS A 73 8.927 14.214 13.314 1.00 0.00 C ATOM 1210 NZ LYS A 73 8.710 14.030 11.852 1.00 0.00 N ATOM 0 H LYS A 73 5.770 11.895 14.696 1.00 0.00 H new ATOM 0 HA LYS A 73 7.695 11.303 16.669 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.986 13.678 15.929 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.923 13.721 17.410 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.314 14.735 15.797 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.969 13.121 15.986 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.026 12.365 13.932 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.908 13.712 13.846 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.854 15.273 13.561 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.936 13.895 13.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.417 14.580 11.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.805 13.023 11.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.756 14.358 11.599 1.00 0.00 H new ATOM 1224 N LEU A 74 4.579 11.350 17.647 1.00 0.00 N ATOM 1225 CA LEU A 74 3.686 11.051 18.761 1.00 0.00 C ATOM 1226 C LEU A 74 3.823 9.594 19.192 1.00 0.00 C ATOM 1227 O LEU A 74 3.190 9.159 20.154 1.00 0.00 O ATOM 1228 CB LEU A 74 2.236 11.345 18.371 1.00 0.00 C ATOM 1229 CG LEU A 74 1.805 12.810 18.447 1.00 0.00 C ATOM 1230 CD1 LEU A 74 0.724 13.102 17.418 1.00 0.00 C ATOM 1231 CD2 LEU A 74 1.317 13.151 19.847 1.00 0.00 C ATOM 0 H LEU A 74 4.108 11.479 16.752 1.00 0.00 H new ATOM 0 HA LEU A 74 3.966 11.687 19.600 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.076 10.992 17.352 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.581 10.760 19.017 1.00 0.00 H new ATOM 0 HG LEU A 74 2.670 13.435 18.223 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.430 14.149 17.487 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.108 12.898 16.419 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.142 12.468 17.610 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.015 14.198 19.882 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.466 12.519 20.100 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.120 12.981 20.564 1.00 0.00 H new ATOM 1243 N ASN A 75 4.655 8.846 18.475 1.00 0.00 N ATOM 1244 CA ASN A 75 4.876 7.438 18.785 1.00 0.00 C ATOM 1245 C ASN A 75 3.632 6.610 18.476 1.00 0.00 C ATOM 1246 O ASN A 75 3.242 5.741 19.256 1.00 0.00 O ATOM 1247 CB ASN A 75 5.259 7.272 20.257 1.00 0.00 C ATOM 1248 CG ASN A 75 5.900 5.927 20.540 1.00 0.00 C ATOM 1249 OD1 ASN A 75 7.018 5.655 20.102 1.00 0.00 O ATOM 1250 ND2 ASN A 75 5.192 5.078 21.276 1.00 0.00 N ATOM 0 H ASN A 75 5.187 9.191 17.676 1.00 0.00 H new ATOM 0 HA ASN A 75 5.694 7.079 18.160 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.948 8.067 20.542 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.369 7.385 20.876 1.00 0.00 H new ATOM 0 HD21 ASN A 75 5.571 4.158 21.499 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.269 5.346 21.618 1.00 0.00 H new ATOM 1257 N ILE A 76 3.014 6.886 17.332 1.00 0.00 N ATOM 1258 CA ILE A 76 1.816 6.167 16.919 1.00 0.00 C ATOM 1259 C ILE A 76 2.110 5.234 15.749 1.00 0.00 C ATOM 1260 O ILE A 76 1.645 4.095 15.718 1.00 0.00 O ATOM 1261 CB ILE A 76 0.688 7.135 16.518 1.00 0.00 C ATOM 1262 CG1 ILE A 76 0.302 8.023 17.703 1.00 0.00 C ATOM 1263 CG2 ILE A 76 -0.521 6.361 16.014 1.00 0.00 C ATOM 1264 CD1 ILE A 76 -0.793 9.016 17.383 1.00 0.00 C ATOM 0 H ILE A 76 3.324 7.602 16.675 1.00 0.00 H new ATOM 0 HA ILE A 76 1.491 5.579 17.777 1.00 0.00 H new ATOM 0 HB ILE A 76 1.048 7.774 15.712 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.022 7.391 18.530 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.185 8.565 18.043 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.310 7.060 15.735 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.237 5.768 15.145 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.884 5.700 16.801 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.015 9.611 18.269 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.465 9.673 16.577 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.690 8.481 17.072 1.00 0.00 H new ATOM 1276 N ILE A 77 2.887 5.726 14.789 1.00 0.00 N ATOM 1277 CA ILE A 77 3.247 4.935 13.619 1.00 0.00 C ATOM 1278 C ILE A 77 4.689 5.199 13.199 1.00 0.00 C ATOM 1279 O ILE A 77 5.128 6.348 13.138 1.00 0.00 O ATOM 1280 CB ILE A 77 2.315 5.235 12.430 1.00 0.00 C ATOM 1281 CG1 ILE A 77 0.872 4.860 12.777 1.00 0.00 C ATOM 1282 CG2 ILE A 77 2.779 4.484 11.191 1.00 0.00 C ATOM 1283 CD1 ILE A 77 -0.160 5.643 11.996 1.00 0.00 C ATOM 0 H ILE A 77 3.279 6.668 14.799 1.00 0.00 H new ATOM 0 HA ILE A 77 3.139 3.887 13.900 1.00 0.00 H new ATOM 0 HB ILE A 77 2.352 6.304 12.219 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.727 3.796 12.590 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.709 5.022 13.843 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.110 4.706 10.359 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.792 4.795 10.935 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.767 3.412 11.390 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.159 5.325 12.293 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.042 6.707 12.201 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.024 5.462 10.930 1.00 0.00 H new ATOM 1295 N ARG A 78 5.420 4.128 12.908 1.00 0.00 N ATOM 1296 CA ARG A 78 6.813 4.244 12.493 1.00 0.00 C ATOM 1297 C ARG A 78 7.002 3.716 11.074 1.00 0.00 C ATOM 1298 O ARG A 78 6.633 2.582 10.767 1.00 0.00 O ATOM 1299 CB ARG A 78 7.720 3.479 13.459 1.00 0.00 C ATOM 1300 CG ARG A 78 8.188 4.310 14.642 1.00 0.00 C ATOM 1301 CD ARG A 78 9.391 3.679 15.325 1.00 0.00 C ATOM 1302 NE ARG A 78 10.000 4.578 16.302 1.00 0.00 N ATOM 1303 CZ ARG A 78 10.973 4.213 17.130 1.00 0.00 C ATOM 1304 NH1 ARG A 78 11.444 2.974 17.099 1.00 0.00 N ATOM 1305 NH2 ARG A 78 11.476 5.089 17.990 1.00 0.00 N ATOM 0 H ARG A 78 5.071 3.171 12.952 1.00 0.00 H new ATOM 0 HA ARG A 78 7.085 5.299 12.509 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.186 2.604 13.829 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.591 3.114 12.915 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.445 5.314 14.304 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.374 4.414 15.359 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.084 2.758 15.821 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.132 3.405 14.574 1.00 0.00 H new ATOM 0 HE ARG A 78 9.660 5.538 16.351 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.059 2.299 16.438 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.191 2.696 17.736 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.116 6.043 18.016 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.223 4.809 18.626 1.00 0.00 H new ATOM 1319 N LYS A 79 7.581 4.546 10.212 1.00 0.00 N ATOM 1320 CA LYS A 79 7.821 4.164 8.826 1.00 0.00 C ATOM 1321 C LYS A 79 9.055 3.275 8.712 1.00 0.00 C ATOM 1322 O LYS A 79 10.185 3.761 8.726 1.00 0.00 O ATOM 1323 CB LYS A 79 7.996 5.411 7.955 1.00 0.00 C ATOM 1324 CG LYS A 79 7.989 5.117 6.465 1.00 0.00 C ATOM 1325 CD LYS A 79 7.946 6.396 5.645 1.00 0.00 C ATOM 1326 CE LYS A 79 8.019 6.105 4.154 1.00 0.00 C ATOM 1327 NZ LYS A 79 9.386 5.686 3.737 1.00 0.00 N ATOM 0 H LYS A 79 7.893 5.488 10.450 1.00 0.00 H new ATOM 0 HA LYS A 79 6.956 3.601 8.476 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.197 6.117 8.181 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.936 5.898 8.217 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.879 4.545 6.202 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.127 4.497 6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.028 6.940 5.866 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.776 7.041 5.932 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.306 5.320 3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.725 6.994 3.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.416 5.579 2.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.075 6.408 4.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.623 4.778 4.186 1.00 0.00 H new ATOM 1341 N GLU A 80 8.829 1.969 8.598 1.00 0.00 N ATOM 1342 CA GLU A 80 9.924 1.013 8.482 1.00 0.00 C ATOM 1343 C GLU A 80 10.835 1.369 7.311 1.00 0.00 C ATOM 1344 O GLU A 80 10.380 1.674 6.208 1.00 0.00 O ATOM 1345 CB GLU A 80 9.376 -0.404 8.303 1.00 0.00 C ATOM 1346 CG GLU A 80 8.624 -0.924 9.517 1.00 0.00 C ATOM 1347 CD GLU A 80 9.546 -1.260 10.674 1.00 0.00 C ATOM 1348 OE1 GLU A 80 10.174 -0.331 11.222 1.00 0.00 O ATOM 1349 OE2 GLU A 80 9.638 -2.453 11.030 1.00 0.00 O ATOM 0 H GLU A 80 7.899 1.550 8.584 1.00 0.00 H new ATOM 0 HA GLU A 80 10.509 1.056 9.401 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.711 -0.421 7.440 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.203 -1.079 8.082 1.00 0.00 H new ATOM 0 HG2 GLU A 80 7.900 -0.176 9.840 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.060 -1.813 9.237 1.00 0.00 H new ATOM 1356 N PRO A 81 12.154 1.331 7.554 1.00 0.00 N ATOM 1357 CA PRO A 81 13.157 1.647 6.533 1.00 0.00 C ATOM 1358 C PRO A 81 13.228 0.584 5.442 1.00 0.00 C ATOM 1359 O PRO A 81 12.625 -0.482 5.560 1.00 0.00 O ATOM 1360 CB PRO A 81 14.467 1.690 7.324 1.00 0.00 C ATOM 1361 CG PRO A 81 14.224 0.819 8.508 1.00 0.00 C ATOM 1362 CD PRO A 81 12.767 0.976 8.845 1.00 0.00 C ATOM 0 HA PRO A 81 12.928 2.576 6.010 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.302 1.323 6.727 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.714 2.708 7.625 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.463 -0.221 8.283 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.853 1.116 9.347 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.347 0.055 9.250 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.609 1.754 9.592 1.00 0.00 H new ATOM 1370 N GLY A 82 13.970 0.881 4.380 1.00 0.00 N ATOM 1371 CA GLY A 82 14.107 -0.060 3.283 1.00 0.00 C ATOM 1372 C GLY A 82 12.867 -0.120 2.413 1.00 0.00 C ATOM 1373 O GLY A 82 12.950 0.029 1.194 1.00 0.00 O ATOM 0 H GLY A 82 14.479 1.757 4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.963 0.222 2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.315 -1.052 3.683 1.00 0.00 H new ATOM 1377 N GLN A 83 11.716 -0.340 3.039 1.00 0.00 N ATOM 1378 CA GLN A 83 10.454 -0.421 2.312 1.00 0.00 C ATOM 1379 C GLN A 83 10.005 0.959 1.845 1.00 0.00 C ATOM 1380 O GLN A 83 10.638 1.968 2.159 1.00 0.00 O ATOM 1381 CB GLN A 83 9.374 -1.051 3.193 1.00 0.00 C ATOM 1382 CG GLN A 83 9.668 -2.491 3.581 1.00 0.00 C ATOM 1383 CD GLN A 83 10.027 -3.355 2.389 1.00 0.00 C ATOM 1384 OE1 GLN A 83 9.668 -3.045 1.252 1.00 0.00 O ATOM 1385 NE2 GLN A 83 10.738 -4.448 2.641 1.00 0.00 N ATOM 0 H GLN A 83 11.631 -0.465 4.048 1.00 0.00 H new ATOM 0 HA GLN A 83 10.609 -1.048 1.434 1.00 0.00 H new ATOM 0 HB2 GLN A 83 9.263 -0.455 4.099 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.420 -1.013 2.667 1.00 0.00 H new ATOM 0 HG2 GLN A 83 10.488 -2.510 4.299 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.797 -2.913 4.082 1.00 0.00 H new ATOM 0 HE21 GLN A 83 11.014 -4.667 3.598 1.00 0.00 H new ATOM 0 HE22 GLN A 83 11.008 -5.068 1.877 1.00 0.00 H new ATOM 1394 N ARG A 84 8.910 0.997 1.094 1.00 0.00 N ATOM 1395 CA ARG A 84 8.377 2.254 0.582 1.00 0.00 C ATOM 1396 C ARG A 84 7.130 2.671 1.356 1.00 0.00 C ATOM 1397 O ARG A 84 7.138 3.673 2.073 1.00 0.00 O ATOM 1398 CB ARG A 84 8.047 2.124 -0.906 1.00 0.00 C ATOM 1399 CG ARG A 84 9.207 1.613 -1.746 1.00 0.00 C ATOM 1400 CD ARG A 84 10.276 2.679 -1.925 1.00 0.00 C ATOM 1401 NE ARG A 84 11.534 2.117 -2.408 1.00 0.00 N ATOM 1402 CZ ARG A 84 12.682 2.786 -2.421 1.00 0.00 C ATOM 1403 NH1 ARG A 84 12.729 4.035 -1.979 1.00 0.00 N ATOM 1404 NH2 ARG A 84 13.785 2.205 -2.875 1.00 0.00 N ATOM 0 H ARG A 84 8.374 0.172 0.826 1.00 0.00 H new ATOM 0 HA ARG A 84 9.139 3.023 0.712 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.199 1.449 -1.024 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.735 3.097 -1.286 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.643 0.735 -1.270 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.839 1.297 -2.722 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.922 3.433 -2.628 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.446 3.185 -0.975 1.00 0.00 H new ATOM 0 HE ARG A 84 11.531 1.158 -2.755 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.883 4.484 -1.628 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.611 4.547 -1.990 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.752 1.244 -3.215 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.666 2.720 -2.884 1.00 0.00 H new ATOM 1418 N LEU A 85 6.061 1.898 1.206 1.00 0.00 N ATOM 1419 CA LEU A 85 4.806 2.187 1.891 1.00 0.00 C ATOM 1420 C LEU A 85 4.587 1.226 3.056 1.00 0.00 C ATOM 1421 O LEU A 85 3.535 0.594 3.163 1.00 0.00 O ATOM 1422 CB LEU A 85 3.634 2.094 0.912 1.00 0.00 C ATOM 1423 CG LEU A 85 3.429 3.301 -0.004 1.00 0.00 C ATOM 1424 CD1 LEU A 85 3.642 4.597 0.764 1.00 0.00 C ATOM 1425 CD2 LEU A 85 4.365 3.229 -1.201 1.00 0.00 C ATOM 0 H LEU A 85 6.038 1.066 0.616 1.00 0.00 H new ATOM 0 HA LEU A 85 4.862 3.201 2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.775 1.210 0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.720 1.938 1.484 1.00 0.00 H new ATOM 0 HG LEU A 85 2.402 3.284 -0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.492 5.445 0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.930 4.653 1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.657 4.623 1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.204 4.096 -1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.398 3.220 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.164 2.319 -1.766 1.00 0.00 H new ATOM 1437 N LEU A 86 5.585 1.123 3.926 1.00 0.00 N ATOM 1438 CA LEU A 86 5.501 0.241 5.085 1.00 0.00 C ATOM 1439 C LEU A 86 5.180 1.032 6.349 1.00 0.00 C ATOM 1440 O LEU A 86 5.882 1.983 6.694 1.00 0.00 O ATOM 1441 CB LEU A 86 6.814 -0.522 5.267 1.00 0.00 C ATOM 1442 CG LEU A 86 6.704 -1.906 5.906 1.00 0.00 C ATOM 1443 CD1 LEU A 86 5.815 -1.856 7.139 1.00 0.00 C ATOM 1444 CD2 LEU A 86 6.168 -2.916 4.901 1.00 0.00 C ATOM 0 H LEU A 86 6.462 1.639 3.851 1.00 0.00 H new ATOM 0 HA LEU A 86 4.695 -0.472 4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.285 -0.631 4.290 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.482 0.086 5.877 1.00 0.00 H new ATOM 0 HG LEU A 86 7.700 -2.223 6.214 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.749 -2.850 7.580 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.240 -1.164 7.866 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.818 -1.518 6.856 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.096 -3.896 5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.180 -2.603 4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.843 -2.973 4.047 1.00 0.00 H new ATOM 1456 N PHE A 87 4.116 0.631 7.038 1.00 0.00 N ATOM 1457 CA PHE A 87 3.703 1.301 8.265 1.00 0.00 C ATOM 1458 C PHE A 87 3.504 0.295 9.395 1.00 0.00 C ATOM 1459 O PHE A 87 3.060 -0.830 9.166 1.00 0.00 O ATOM 1460 CB PHE A 87 2.410 2.086 8.032 1.00 0.00 C ATOM 1461 CG PHE A 87 2.464 2.988 6.833 1.00 0.00 C ATOM 1462 CD1 PHE A 87 3.419 3.988 6.745 1.00 0.00 C ATOM 1463 CD2 PHE A 87 1.560 2.836 5.794 1.00 0.00 C ATOM 1464 CE1 PHE A 87 3.470 4.821 5.642 1.00 0.00 C ATOM 1465 CE2 PHE A 87 1.607 3.665 4.689 1.00 0.00 C ATOM 1466 CZ PHE A 87 2.564 4.658 4.613 1.00 0.00 C ATOM 0 H PHE A 87 3.525 -0.155 6.767 1.00 0.00 H new ATOM 0 HA PHE A 87 4.494 1.993 8.555 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.585 1.384 7.912 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.193 2.684 8.917 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.131 4.118 7.546 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.810 2.061 5.848 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.218 5.598 5.586 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.896 3.536 3.886 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.604 5.306 3.750 1.00 0.00 H new ATOM 1476 N ARG A 88 3.838 0.708 10.613 1.00 0.00 N ATOM 1477 CA ARG A 88 3.698 -0.157 11.778 1.00 0.00 C ATOM 1478 C ARG A 88 2.940 0.554 12.896 1.00 0.00 C ATOM 1479 O ARG A 88 3.390 1.578 13.411 1.00 0.00 O ATOM 1480 CB ARG A 88 5.074 -0.598 12.281 1.00 0.00 C ATOM 1481 CG ARG A 88 5.030 -1.334 13.610 1.00 0.00 C ATOM 1482 CD ARG A 88 6.327 -1.162 14.385 1.00 0.00 C ATOM 1483 NE ARG A 88 6.570 -2.274 15.299 1.00 0.00 N ATOM 1484 CZ ARG A 88 7.128 -3.422 14.928 1.00 0.00 C ATOM 1485 NH1 ARG A 88 7.498 -3.606 13.669 1.00 0.00 N ATOM 1486 NH2 ARG A 88 7.316 -4.388 15.818 1.00 0.00 N ATOM 0 H ARG A 88 4.207 1.636 10.819 1.00 0.00 H new ATOM 0 HA ARG A 88 3.129 -1.037 11.479 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.535 -1.243 11.533 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.713 0.279 12.382 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.197 -0.962 14.206 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.848 -2.394 13.434 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.159 -1.079 13.686 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.291 -0.230 14.949 1.00 0.00 H new ATOM 0 HE ARG A 88 6.297 -2.164 16.276 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.355 -2.866 12.982 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.926 -4.488 13.387 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.032 -4.250 16.788 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.744 -5.269 15.532 1.00 0.00 H new ATOM 1500 N PHE A 89 1.788 0.004 13.264 1.00 0.00 N ATOM 1501 CA PHE A 89 0.967 0.586 14.320 1.00 0.00 C ATOM 1502 C PHE A 89 1.517 0.229 15.697 1.00 0.00 C ATOM 1503 O PHE A 89 1.178 -0.811 16.261 1.00 0.00 O ATOM 1504 CB PHE A 89 -0.480 0.103 14.194 1.00 0.00 C ATOM 1505 CG PHE A 89 -1.276 0.854 13.165 1.00 0.00 C ATOM 1506 CD1 PHE A 89 -1.309 2.239 13.170 1.00 0.00 C ATOM 1507 CD2 PHE A 89 -1.991 0.174 12.192 1.00 0.00 C ATOM 1508 CE1 PHE A 89 -2.040 2.932 12.224 1.00 0.00 C ATOM 1509 CE2 PHE A 89 -2.723 0.862 11.244 1.00 0.00 C ATOM 1510 CZ PHE A 89 -2.749 2.243 11.260 1.00 0.00 C ATOM 0 H PHE A 89 1.402 -0.843 12.847 1.00 0.00 H new ATOM 0 HA PHE A 89 0.992 1.670 14.210 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.480 -0.957 13.939 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.972 0.198 15.162 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.757 2.783 13.922 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.976 -0.906 12.175 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.057 4.012 12.239 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.275 0.320 10.490 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.322 2.782 10.521 1.00 0.00 H new ATOM 1520 N MET A 90 2.368 1.098 16.232 1.00 0.00 N ATOM 1521 CA MET A 90 2.965 0.874 17.543 1.00 0.00 C ATOM 1522 C MET A 90 1.919 1.004 18.646 1.00 0.00 C ATOM 1523 O MET A 90 1.501 0.010 19.240 1.00 0.00 O ATOM 1524 CB MET A 90 4.104 1.867 17.785 1.00 0.00 C ATOM 1525 CG MET A 90 5.343 1.585 16.951 1.00 0.00 C ATOM 1526 SD MET A 90 6.841 2.276 17.677 1.00 0.00 S ATOM 1527 CE MET A 90 6.380 4.000 17.828 1.00 0.00 C ATOM 0 H MET A 90 2.660 1.964 15.778 1.00 0.00 H new ATOM 0 HA MET A 90 3.366 -0.140 17.564 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.750 2.874 17.566 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.374 1.847 18.841 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.462 0.507 16.838 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.205 1.997 15.951 1.00 0.00 H new ATOM 0 HE1 MET A 90 7.272 4.601 18.006 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.898 4.330 16.908 1.00 0.00 H new ATOM 0 HE3 MET A 90 5.689 4.120 18.662 1.00 0.00 H new ATOM 1537 N LYS A 91 1.500 2.236 18.916 1.00 0.00 N ATOM 1538 CA LYS A 91 0.502 2.497 19.946 1.00 0.00 C ATOM 1539 C LYS A 91 -0.880 2.039 19.493 1.00 0.00 C ATOM 1540 O LYS A 91 -1.237 2.170 18.322 1.00 0.00 O ATOM 1541 CB LYS A 91 0.471 3.988 20.289 1.00 0.00 C ATOM 1542 CG LYS A 91 0.069 4.274 21.726 1.00 0.00 C ATOM 1543 CD LYS A 91 1.279 4.316 22.645 1.00 0.00 C ATOM 1544 CE LYS A 91 0.867 4.470 24.101 1.00 0.00 C ATOM 1545 NZ LYS A 91 2.027 4.329 25.023 1.00 0.00 N ATOM 0 H LYS A 91 1.837 3.070 18.435 1.00 0.00 H new ATOM 0 HA LYS A 91 0.778 1.932 20.836 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.457 4.415 20.105 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.225 4.492 19.619 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.459 5.226 21.775 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.624 3.507 22.071 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.860 3.402 22.525 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.926 5.145 22.359 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.404 5.446 24.246 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.115 3.721 24.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.705 4.440 26.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.454 3.388 24.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.734 5.060 24.806 1.00 0.00 H new ATOM 1559 N THR A 92 -1.658 1.503 20.430 1.00 0.00 N ATOM 1560 CA THR A 92 -3.001 1.027 20.127 1.00 0.00 C ATOM 1561 C THR A 92 -3.895 2.167 19.652 1.00 0.00 C ATOM 1562 O THR A 92 -3.864 3.276 20.187 1.00 0.00 O ATOM 1563 CB THR A 92 -3.650 0.357 21.353 1.00 0.00 C ATOM 1564 OG1 THR A 92 -2.869 -0.770 21.766 1.00 0.00 O ATOM 1565 CG2 THR A 92 -5.069 -0.091 21.038 1.00 0.00 C ATOM 0 H THR A 92 -1.380 1.388 21.405 1.00 0.00 H new ATOM 0 HA THR A 92 -2.902 0.290 19.330 1.00 0.00 H new ATOM 0 HB THR A 92 -3.688 1.088 22.161 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.287 -1.189 22.547 1.00 0.00 H new ATOM 0 HG21 THR A 92 -5.506 -0.561 21.919 1.00 0.00 H new ATOM 0 HG22 THR A 92 -5.669 0.773 20.753 1.00 0.00 H new ATOM 0 HG23 THR A 92 -5.051 -0.807 20.216 1.00 0.00 H new ATOM 1573 N PRO A 93 -4.713 1.891 18.625 1.00 0.00 N ATOM 1574 CA PRO A 93 -5.632 2.882 18.058 1.00 0.00 C ATOM 1575 C PRO A 93 -6.777 3.220 19.006 1.00 0.00 C ATOM 1576 O PRO A 93 -7.063 4.391 19.256 1.00 0.00 O ATOM 1577 CB PRO A 93 -6.165 2.190 16.800 1.00 0.00 C ATOM 1578 CG PRO A 93 -6.029 0.734 17.082 1.00 0.00 C ATOM 1579 CD PRO A 93 -4.803 0.591 17.940 1.00 0.00 C ATOM 0 HA PRO A 93 -5.137 3.833 17.861 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.203 2.461 16.609 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.593 2.477 15.918 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.911 0.352 17.595 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.927 0.165 16.158 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.902 -0.231 18.649 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.915 0.390 17.341 1.00 0.00 H new ATOM 1587 N ASP A 94 -7.429 2.188 19.530 1.00 0.00 N ATOM 1588 CA ASP A 94 -8.543 2.377 20.453 1.00 0.00 C ATOM 1589 C ASP A 94 -8.116 3.210 21.657 1.00 0.00 C ATOM 1590 O ASP A 94 -8.944 3.850 22.305 1.00 0.00 O ATOM 1591 CB ASP A 94 -9.081 1.023 20.919 1.00 0.00 C ATOM 1592 CG ASP A 94 -9.105 -0.005 19.805 1.00 0.00 C ATOM 1593 OD1 ASP A 94 -10.053 0.022 18.993 1.00 0.00 O ATOM 1594 OD2 ASP A 94 -8.176 -0.838 19.747 1.00 0.00 O ATOM 0 H ASP A 94 -7.206 1.213 19.332 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.333 2.912 19.926 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.464 0.653 21.738 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.089 1.152 21.312 1.00 0.00 H new ATOM 1599 N GLU A 95 -6.820 3.196 21.951 1.00 0.00 N ATOM 1600 CA GLU A 95 -6.284 3.950 23.078 1.00 0.00 C ATOM 1601 C GLU A 95 -6.203 5.438 22.749 1.00 0.00 C ATOM 1602 O GLU A 95 -6.617 6.284 23.542 1.00 0.00 O ATOM 1603 CB GLU A 95 -4.899 3.424 23.460 1.00 0.00 C ATOM 1604 CG GLU A 95 -4.001 4.476 24.090 1.00 0.00 C ATOM 1605 CD GLU A 95 -4.751 5.390 25.040 1.00 0.00 C ATOM 1606 OE1 GLU A 95 -5.468 4.870 25.920 1.00 0.00 O ATOM 1607 OE2 GLU A 95 -4.620 6.624 24.903 1.00 0.00 O ATOM 0 H GLU A 95 -6.122 2.671 21.425 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.960 3.819 23.923 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.014 2.593 24.156 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.411 3.028 22.569 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.192 3.982 24.629 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.541 5.074 23.303 1.00 0.00 H new ATOM 1614 N ILE A 96 -5.665 5.749 21.574 1.00 0.00 N ATOM 1615 CA ILE A 96 -5.529 7.134 21.140 1.00 0.00 C ATOM 1616 C ILE A 96 -6.892 7.806 21.011 1.00 0.00 C ATOM 1617 O ILE A 96 -7.029 9.004 21.255 1.00 0.00 O ATOM 1618 CB ILE A 96 -4.793 7.230 19.790 1.00 0.00 C ATOM 1619 CG1 ILE A 96 -3.333 6.798 19.949 1.00 0.00 C ATOM 1620 CG2 ILE A 96 -4.874 8.647 19.243 1.00 0.00 C ATOM 1621 CD1 ILE A 96 -2.747 6.180 18.699 1.00 0.00 C ATOM 0 H ILE A 96 -5.317 5.061 20.906 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.944 7.648 21.902 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.276 6.559 19.080 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.735 7.664 20.231 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.262 6.081 20.767 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.350 8.699 18.289 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.919 8.922 19.098 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.412 9.337 19.949 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.711 5.898 18.884 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.321 5.294 18.427 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.786 6.902 17.883 1.00 0.00 H new ATOM 1633 N MET A 97 -7.897 7.025 20.629 1.00 0.00 N ATOM 1634 CA MET A 97 -9.251 7.544 20.472 1.00 0.00 C ATOM 1635 C MET A 97 -9.542 8.626 21.508 1.00 0.00 C ATOM 1636 O MET A 97 -9.613 9.810 21.180 1.00 0.00 O ATOM 1637 CB MET A 97 -10.272 6.412 20.598 1.00 0.00 C ATOM 1638 CG MET A 97 -10.319 5.498 19.385 1.00 0.00 C ATOM 1639 SD MET A 97 -11.131 6.265 17.969 1.00 0.00 S ATOM 1640 CE MET A 97 -11.134 4.905 16.803 1.00 0.00 C ATOM 0 H MET A 97 -7.800 6.031 20.422 1.00 0.00 H new ATOM 0 HA MET A 97 -9.331 7.986 19.479 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.037 5.818 21.481 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.261 6.842 20.757 1.00 0.00 H new ATOM 0 HG2 MET A 97 -9.303 5.216 19.108 1.00 0.00 H new ATOM 0 HG3 MET A 97 -10.845 4.580 19.647 1.00 0.00 H new ATOM 0 HE1 MET A 97 -11.605 5.224 15.873 1.00 0.00 H new ATOM 0 HE2 MET A 97 -10.108 4.596 16.602 1.00 0.00 H new ATOM 0 HE3 MET A 97 -11.690 4.067 17.223 1.00 0.00 H new ATOM 1650 N SER A 98 -9.709 8.210 22.759 1.00 0.00 N ATOM 1651 CA SER A 98 -9.997 9.143 23.842 1.00 0.00 C ATOM 1652 C SER A 98 -8.777 10.003 24.157 1.00 0.00 C ATOM 1653 O SER A 98 -7.684 9.489 24.389 1.00 0.00 O ATOM 1654 CB SER A 98 -10.436 8.384 25.096 1.00 0.00 C ATOM 1655 OG SER A 98 -11.663 7.708 24.878 1.00 0.00 O ATOM 0 H SER A 98 -9.650 7.234 23.048 1.00 0.00 H new ATOM 0 HA SER A 98 -10.808 9.796 23.519 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.666 7.666 25.379 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.543 9.080 25.928 1.00 0.00 H new ATOM 0 HG SER A 98 -11.922 7.229 25.693 1.00 0.00 H new ATOM 1661 N GLY A 99 -8.973 11.319 24.163 1.00 0.00 N ATOM 1662 CA GLY A 99 -7.881 12.230 24.450 1.00 0.00 C ATOM 1663 C GLY A 99 -7.511 12.248 25.920 1.00 0.00 C ATOM 1664 O GLY A 99 -8.321 12.629 26.765 1.00 0.00 O ATOM 0 H GLY A 99 -9.868 11.769 23.974 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.009 11.943 23.863 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.159 13.236 24.136 1.00 0.00 H new ATOM 1668 N ARG A 100 -6.286 11.834 26.226 1.00 0.00 N ATOM 1669 CA ARG A 100 -5.812 11.802 27.604 1.00 0.00 C ATOM 1670 C ARG A 100 -5.083 13.094 27.959 1.00 0.00 C ATOM 1671 O ARG A 100 -5.465 13.800 28.893 1.00 0.00 O ATOM 1672 CB ARG A 100 -4.885 10.604 27.819 1.00 0.00 C ATOM 1673 CG ARG A 100 -5.599 9.264 27.764 1.00 0.00 C ATOM 1674 CD ARG A 100 -6.127 8.857 29.130 1.00 0.00 C ATOM 1675 NE ARG A 100 -7.270 7.953 29.028 1.00 0.00 N ATOM 1676 CZ ARG A 100 -8.441 8.304 28.510 1.00 0.00 C ATOM 1677 NH1 ARG A 100 -8.623 9.534 28.049 1.00 0.00 N ATOM 1678 NH2 ARG A 100 -9.433 7.425 28.452 1.00 0.00 N ATOM 0 H ARG A 100 -5.604 11.516 25.538 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.679 11.704 28.258 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.102 10.620 27.061 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.393 10.705 28.787 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.425 9.320 27.055 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.914 8.500 27.395 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.332 8.373 29.697 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.418 9.748 29.686 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.163 6.999 29.374 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.863 10.212 28.092 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -9.523 9.802 27.651 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.297 6.478 28.806 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -10.332 7.696 28.054 1.00 0.00 H new ATOM 1692 N THR A 101 -4.029 13.398 27.208 1.00 0.00 N ATOM 1693 CA THR A 101 -3.245 14.604 27.443 1.00 0.00 C ATOM 1694 C THR A 101 -3.481 15.637 26.347 1.00 0.00 C ATOM 1695 O THR A 101 -3.802 16.792 26.629 1.00 0.00 O ATOM 1696 CB THR A 101 -1.739 14.288 27.519 1.00 0.00 C ATOM 1697 OG1 THR A 101 -1.491 13.324 28.548 1.00 0.00 O ATOM 1698 CG2 THR A 101 -0.935 15.550 27.796 1.00 0.00 C ATOM 0 H THR A 101 -3.699 12.825 26.431 1.00 0.00 H new ATOM 0 HA THR A 101 -3.573 15.012 28.399 1.00 0.00 H new ATOM 0 HB THR A 101 -1.427 13.880 26.557 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.532 13.128 28.588 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.125 15.302 27.845 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.102 16.271 26.996 1.00 0.00 H new ATOM 0 HG23 THR A 101 -1.251 15.982 28.746 1.00 0.00 H new ATOM 1706 N ASP A 102 -3.322 15.214 25.098 1.00 0.00 N ATOM 1707 CA ASP A 102 -3.520 16.103 23.959 1.00 0.00 C ATOM 1708 C ASP A 102 -4.478 15.483 22.947 1.00 0.00 C ATOM 1709 O ASP A 102 -4.093 14.615 22.163 1.00 0.00 O ATOM 1710 CB ASP A 102 -2.181 16.414 23.289 1.00 0.00 C ATOM 1711 CG ASP A 102 -2.351 16.972 21.889 1.00 0.00 C ATOM 1712 OD1 ASP A 102 -2.661 18.175 21.764 1.00 0.00 O ATOM 1713 OD2 ASP A 102 -2.174 16.205 20.919 1.00 0.00 O ATOM 0 H ASP A 102 -3.057 14.261 24.848 1.00 0.00 H new ATOM 0 HA ASP A 102 -3.958 17.032 24.325 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -1.631 17.131 23.899 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -1.580 15.506 23.245 1.00 0.00 H new ATOM 1718 N ARG A 103 -5.729 15.933 22.970 1.00 0.00 N ATOM 1719 CA ARG A 103 -6.742 15.421 22.056 1.00 0.00 C ATOM 1720 C ARG A 103 -6.199 15.339 20.632 1.00 0.00 C ATOM 1721 O ARG A 103 -5.924 16.361 20.001 1.00 0.00 O ATOM 1722 CB ARG A 103 -7.986 16.312 22.088 1.00 0.00 C ATOM 1723 CG ARG A 103 -8.790 16.188 23.372 1.00 0.00 C ATOM 1724 CD ARG A 103 -9.838 15.090 23.268 1.00 0.00 C ATOM 1725 NE ARG A 103 -10.984 15.501 22.462 1.00 0.00 N ATOM 1726 CZ ARG A 103 -12.128 14.828 22.414 1.00 0.00 C ATOM 1727 NH1 ARG A 103 -12.278 13.718 23.123 1.00 0.00 N ATOM 1728 NH2 ARG A 103 -13.126 15.266 21.657 1.00 0.00 N ATOM 0 H ARG A 103 -6.065 16.651 23.612 1.00 0.00 H new ATOM 0 HA ARG A 103 -7.014 14.417 22.381 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -7.682 17.351 21.958 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -8.626 16.059 21.243 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -8.119 15.975 24.204 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.277 17.138 23.591 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -9.387 14.199 22.830 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -10.177 14.817 24.267 1.00 0.00 H new ATOM 0 HE ARG A 103 -10.901 16.352 21.905 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -11.514 13.379 23.707 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -13.158 13.203 23.084 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -13.015 16.120 21.111 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -14.004 14.748 21.621 1.00 0.00 H new ATOM 1742 N LEU A 104 -6.046 14.118 20.132 1.00 0.00 N ATOM 1743 CA LEU A 104 -5.535 13.902 18.783 1.00 0.00 C ATOM 1744 C LEU A 104 -6.652 14.022 17.752 1.00 0.00 C ATOM 1745 O LEU A 104 -6.684 13.282 16.769 1.00 0.00 O ATOM 1746 CB LEU A 104 -4.876 12.525 18.680 1.00 0.00 C ATOM 1747 CG LEU A 104 -3.777 12.384 17.626 1.00 0.00 C ATOM 1748 CD1 LEU A 104 -2.769 11.325 18.045 1.00 0.00 C ATOM 1749 CD2 LEU A 104 -4.380 12.043 16.271 1.00 0.00 C ATOM 0 H LEU A 104 -6.269 13.262 20.641 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.790 14.671 18.576 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.453 12.273 19.653 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.651 11.788 18.469 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.256 13.338 17.540 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.994 11.238 17.283 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.315 11.610 18.994 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.275 10.366 18.159 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.584 11.946 15.533 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.926 11.102 16.342 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.063 12.836 15.967 1.00 0.00 H new ATOM 1761 N GLU A 105 -7.565 14.959 17.983 1.00 0.00 N ATOM 1762 CA GLU A 105 -8.684 15.176 17.072 1.00 0.00 C ATOM 1763 C GLU A 105 -8.411 16.360 16.148 1.00 0.00 C ATOM 1764 O GLU A 105 -8.735 16.322 14.960 1.00 0.00 O ATOM 1765 CB GLU A 105 -9.973 15.418 17.861 1.00 0.00 C ATOM 1766 CG GLU A 105 -10.486 14.182 18.580 1.00 0.00 C ATOM 1767 CD GLU A 105 -9.368 13.335 19.156 1.00 0.00 C ATOM 1768 OE1 GLU A 105 -8.625 13.842 20.022 1.00 0.00 O ATOM 1769 OE2 GLU A 105 -9.237 12.165 18.741 1.00 0.00 O ATOM 0 H GLU A 105 -7.553 15.580 18.792 1.00 0.00 H new ATOM 0 HA GLU A 105 -8.802 14.280 16.462 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.799 16.208 18.592 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -10.744 15.778 17.180 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.157 14.486 19.383 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -11.072 13.580 17.886 1.00 0.00 H new ATOM 1776 N HIS A 106 -7.814 17.410 16.702 1.00 0.00 N ATOM 1777 CA HIS A 106 -7.497 18.605 15.928 1.00 0.00 C ATOM 1778 C HIS A 106 -7.039 18.236 14.520 1.00 0.00 C ATOM 1779 O HIS A 106 -7.639 18.657 13.530 1.00 0.00 O ATOM 1780 CB HIS A 106 -6.413 19.422 16.632 1.00 0.00 C ATOM 1781 CG HIS A 106 -6.956 20.438 17.589 1.00 0.00 C ATOM 1782 ND1 HIS A 106 -6.396 21.687 17.758 1.00 0.00 N ATOM 1783 CD2 HIS A 106 -8.015 20.386 18.430 1.00 0.00 C ATOM 1784 CE1 HIS A 106 -7.086 22.358 18.663 1.00 0.00 C ATOM 1785 NE2 HIS A 106 -8.074 21.591 19.086 1.00 0.00 N ATOM 0 H HIS A 106 -7.540 17.458 17.683 1.00 0.00 H new ATOM 0 HA HIS A 106 -8.402 19.207 15.850 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -5.751 18.744 17.171 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -5.807 19.929 15.881 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -8.688 19.552 18.561 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -6.877 23.363 19.000 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -8.768 21.851 19.786 1.00 0.00 H new ATOM 1794 N LEU A 107 -5.973 17.447 14.439 1.00 0.00 N ATOM 1795 CA LEU A 107 -5.434 17.021 13.152 1.00 0.00 C ATOM 1796 C LEU A 107 -6.548 16.840 12.127 1.00 0.00 C ATOM 1797 O LEU A 107 -6.401 17.214 10.964 1.00 0.00 O ATOM 1798 CB LEU A 107 -4.655 15.714 13.311 1.00 0.00 C ATOM 1799 CG LEU A 107 -3.161 15.855 13.610 1.00 0.00 C ATOM 1800 CD1 LEU A 107 -2.413 16.332 12.375 1.00 0.00 C ATOM 1801 CD2 LEU A 107 -2.938 16.809 14.773 1.00 0.00 C ATOM 0 H LEU A 107 -5.465 17.090 15.248 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.759 17.799 12.794 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.113 15.137 14.114 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.769 15.133 12.396 1.00 0.00 H new ATOM 0 HG LEU A 107 -2.771 14.876 13.890 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.352 16.427 12.606 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.546 15.611 11.568 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.804 17.301 12.064 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -1.870 16.897 14.972 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.343 17.790 14.522 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.442 16.425 15.660 1.00 0.00 H new ATOM 1813 N GLU A 108 -7.663 16.266 12.568 1.00 0.00 N ATOM 1814 CA GLU A 108 -8.804 16.037 11.688 1.00 0.00 C ATOM 1815 C GLU A 108 -8.927 17.154 10.656 1.00 0.00 C ATOM 1816 O GLU A 108 -9.087 16.897 9.463 1.00 0.00 O ATOM 1817 CB GLU A 108 -10.094 15.937 12.504 1.00 0.00 C ATOM 1818 CG GLU A 108 -10.248 14.617 13.241 1.00 0.00 C ATOM 1819 CD GLU A 108 -11.515 14.557 14.071 1.00 0.00 C ATOM 1820 OE1 GLU A 108 -12.603 14.800 13.510 1.00 0.00 O ATOM 1821 OE2 GLU A 108 -11.418 14.266 15.282 1.00 0.00 O ATOM 0 H GLU A 108 -7.801 15.951 13.528 1.00 0.00 H new ATOM 0 HA GLU A 108 -8.642 15.096 11.162 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.121 16.752 13.227 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.946 16.073 11.838 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -10.252 13.800 12.519 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.385 14.465 13.890 1.00 0.00 H new ATOM 1828 N SER A 109 -8.852 18.396 11.124 1.00 0.00 N ATOM 1829 CA SER A 109 -8.959 19.553 10.244 1.00 0.00 C ATOM 1830 C SER A 109 -7.789 20.508 10.457 1.00 0.00 C ATOM 1831 O SER A 109 -7.969 21.725 10.508 1.00 0.00 O ATOM 1832 CB SER A 109 -10.280 20.285 10.487 1.00 0.00 C ATOM 1833 OG SER A 109 -10.425 21.383 9.603 1.00 0.00 O ATOM 0 H SER A 109 -8.717 18.626 12.108 1.00 0.00 H new ATOM 0 HA SER A 109 -8.933 19.198 9.214 1.00 0.00 H new ATOM 0 HB2 SER A 109 -11.112 19.594 10.353 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.320 20.636 11.518 1.00 0.00 H new ATOM 0 HG SER A 109 -9.705 22.029 9.762 1.00 0.00 H new ATOM 1839 N GLN A 110 -6.590 19.948 10.580 1.00 0.00 N ATOM 1840 CA GLN A 110 -5.390 20.749 10.789 1.00 0.00 C ATOM 1841 C GLN A 110 -4.452 20.647 9.591 1.00 0.00 C ATOM 1842 O GLN A 110 -4.252 21.619 8.864 1.00 0.00 O ATOM 1843 CB GLN A 110 -4.665 20.300 12.059 1.00 0.00 C ATOM 1844 CG GLN A 110 -3.800 21.384 12.681 1.00 0.00 C ATOM 1845 CD GLN A 110 -2.818 20.835 13.698 1.00 0.00 C ATOM 1846 OE1 GLN A 110 -3.214 20.282 14.725 1.00 0.00 O ATOM 1847 NE2 GLN A 110 -1.529 20.984 13.416 1.00 0.00 N ATOM 0 H GLN A 110 -6.424 18.942 10.539 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.694 21.790 10.902 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -5.402 19.970 12.791 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.040 19.438 11.825 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -3.251 21.902 11.894 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -4.440 22.123 13.162 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -1.246 21.449 12.553 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -0.822 20.634 14.062 1.00 0.00 H new ATOM 1856 N GLU A 111 -3.880 19.464 9.392 1.00 0.00 N ATOM 1857 CA GLU A 111 -2.962 19.236 8.283 1.00 0.00 C ATOM 1858 C GLU A 111 -3.647 19.508 6.946 1.00 0.00 C ATOM 1859 O GLU A 111 -3.072 20.141 6.059 1.00 0.00 O ATOM 1860 CB GLU A 111 -2.435 17.800 8.314 1.00 0.00 C ATOM 1861 CG GLU A 111 -1.466 17.533 9.454 1.00 0.00 C ATOM 1862 CD GLU A 111 -0.157 18.282 9.296 1.00 0.00 C ATOM 1863 OE1 GLU A 111 -0.132 19.498 9.579 1.00 0.00 O ATOM 1864 OE2 GLU A 111 0.841 17.653 8.888 1.00 0.00 O ATOM 0 H GLU A 111 -4.036 18.649 9.985 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.124 19.925 8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.278 17.114 8.396 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -1.939 17.583 7.368 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.932 17.819 10.397 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -1.264 16.463 9.511 1.00 0.00 H new ATOM 1871 N LEU A 112 -4.876 19.025 6.808 1.00 0.00 N ATOM 1872 CA LEU A 112 -5.640 19.216 5.580 1.00 0.00 C ATOM 1873 C LEU A 112 -5.827 20.699 5.279 1.00 0.00 C ATOM 1874 O LEU A 112 -5.960 21.516 6.190 1.00 0.00 O ATOM 1875 CB LEU A 112 -7.004 18.531 5.693 1.00 0.00 C ATOM 1876 CG LEU A 112 -6.980 17.034 6.005 1.00 0.00 C ATOM 1877 CD1 LEU A 112 -8.382 16.529 6.304 1.00 0.00 C ATOM 1878 CD2 LEU A 112 -6.366 16.259 4.848 1.00 0.00 C ATOM 0 H LEU A 112 -5.365 18.498 7.531 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.080 18.766 4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.578 19.035 6.471 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.541 18.678 4.756 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.364 16.876 6.890 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.345 15.462 6.524 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.785 17.063 7.164 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.022 16.699 5.439 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.357 15.195 5.087 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.956 16.423 3.946 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.345 16.602 4.681 1.00 0.00 H new ATOM 1890 N SER A 113 -5.836 21.040 3.994 1.00 0.00 N ATOM 1891 CA SER A 113 -6.005 22.426 3.573 1.00 0.00 C ATOM 1892 C SER A 113 -7.456 22.705 3.191 1.00 0.00 C ATOM 1893 O SER A 113 -8.180 21.808 2.761 1.00 0.00 O ATOM 1894 CB SER A 113 -5.086 22.737 2.390 1.00 0.00 C ATOM 1895 OG SER A 113 -5.728 22.459 1.158 1.00 0.00 O ATOM 0 H SER A 113 -5.728 20.376 3.227 1.00 0.00 H new ATOM 0 HA SER A 113 -5.738 23.070 4.411 1.00 0.00 H new ATOM 0 HB2 SER A 113 -4.791 23.786 2.421 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.173 22.146 2.469 1.00 0.00 H new ATOM 0 HG SER A 113 -5.120 22.668 0.418 1.00 0.00 H new ATOM 1901 N GLY A 114 -7.873 23.957 3.352 1.00 0.00 N ATOM 1902 CA GLY A 114 -9.235 24.333 3.020 1.00 0.00 C ATOM 1903 C GLY A 114 -9.299 25.586 2.169 1.00 0.00 C ATOM 1904 O GLY A 114 -8.553 26.543 2.377 1.00 0.00 O ATOM 0 H GLY A 114 -7.292 24.717 3.706 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.716 23.512 2.489 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.799 24.492 3.939 1.00 0.00 H new ATOM 1908 N PRO A 115 -10.209 25.590 1.183 1.00 0.00 N ATOM 1909 CA PRO A 115 -10.389 26.728 0.277 1.00 0.00 C ATOM 1910 C PRO A 115 -10.999 27.937 0.978 1.00 0.00 C ATOM 1911 O PRO A 115 -11.071 29.026 0.409 1.00 0.00 O ATOM 1912 CB PRO A 115 -11.347 26.187 -0.787 1.00 0.00 C ATOM 1913 CG PRO A 115 -12.095 25.096 -0.102 1.00 0.00 C ATOM 1914 CD PRO A 115 -11.132 24.485 0.878 1.00 0.00 C ATOM 0 HA PRO A 115 -9.440 27.082 -0.125 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -12.021 26.965 -1.145 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -10.804 25.811 -1.654 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -12.975 25.487 0.408 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -12.446 24.354 -0.819 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -11.642 24.128 1.773 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -10.608 23.631 0.448 1.00 0.00 H new ATOM 1922 N SER A 116 -11.437 27.738 2.217 1.00 0.00 N ATOM 1923 CA SER A 116 -12.045 28.811 2.995 1.00 0.00 C ATOM 1924 C SER A 116 -10.979 29.756 3.542 1.00 0.00 C ATOM 1925 O SER A 116 -11.006 30.958 3.280 1.00 0.00 O ATOM 1926 CB SER A 116 -12.868 28.232 4.147 1.00 0.00 C ATOM 1927 OG SER A 116 -13.685 29.226 4.741 1.00 0.00 O ATOM 0 H SER A 116 -11.382 26.843 2.704 1.00 0.00 H new ATOM 0 HA SER A 116 -12.704 29.376 2.335 1.00 0.00 H new ATOM 0 HB2 SER A 116 -13.491 27.417 3.779 1.00 0.00 H new ATOM 0 HB3 SER A 116 -12.201 27.809 4.898 1.00 0.00 H new ATOM 0 HG SER A 116 -14.202 28.830 5.473 1.00 0.00 H new ATOM 1933 N SER A 117 -10.041 29.202 4.304 1.00 0.00 N ATOM 1934 CA SER A 117 -8.968 29.995 4.892 1.00 0.00 C ATOM 1935 C SER A 117 -7.675 29.834 4.098 1.00 0.00 C ATOM 1936 O SER A 117 -7.187 28.721 3.903 1.00 0.00 O ATOM 1937 CB SER A 117 -8.739 29.583 6.348 1.00 0.00 C ATOM 1938 OG SER A 117 -8.099 28.321 6.426 1.00 0.00 O ATOM 0 H SER A 117 -10.003 28.208 4.528 1.00 0.00 H new ATOM 0 HA SER A 117 -9.266 31.043 4.860 1.00 0.00 H new ATOM 0 HB2 SER A 117 -8.130 30.335 6.851 1.00 0.00 H new ATOM 0 HB3 SER A 117 -9.694 29.543 6.872 1.00 0.00 H new ATOM 0 HG SER A 117 -7.669 28.119 5.569 1.00 0.00 H new ATOM 1944 N GLY A 118 -7.126 30.955 3.639 1.00 0.00 N ATOM 1945 CA GLY A 118 -5.895 30.918 2.871 1.00 0.00 C ATOM 1946 C GLY A 118 -4.662 30.902 3.752 1.00 0.00 C ATOM 1947 O GLY A 118 -4.767 30.872 4.978 1.00 0.00 O ATOM 0 H GLY A 118 -7.512 31.888 3.785 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -5.894 30.033 2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -5.855 31.785 2.212 1.00 0.00 H new TER 1951 GLY A 118