USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 573 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 65 LYS NZ :NH3+ -134:sc= -1.76! (180deg=-2.79!) USER MOD Set 1.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0207 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 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot 180:sc= -0.484 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 60:sc= -4.76! USER MOD Single : A 17 LYS NZ :NH3+ -152:sc= -0.318 (180deg=-1.34) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0893 USER MOD Single : A 35 HIS : no HD1:sc= -4.44 X(o=-4.4,f=-4!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -11.3! C(o=-11!,f=-22!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc=-0.00185 K(o=-0.0018,f=-0.84) USER MOD Single : A 61 TYR OH : rot -30:sc= 0.01 USER MOD Single : A 68 GLN : amide:sc= -0.23 K(o=-0.23,f=-1.4) USER MOD Single : A 71 THR OG1 : rot -70:sc= 0.102 USER MOD Single : A 72 SER OG : rot 180:sc= -0.109 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.193 -2.488 -0.578 1.00 0.00 N ATOM 2 CA GLY A 1 15.935 -2.487 -1.825 1.00 0.00 C ATOM 3 C GLY A 1 16.512 -1.125 -2.155 1.00 0.00 C ATOM 4 O GLY A 1 15.795 -0.233 -2.608 1.00 0.00 O ATOM 0 H1 GLY A 1 14.819 -3.441 -0.397 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.823 -2.210 0.201 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.404 -1.813 -0.643 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.743 -3.216 -1.764 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.279 -2.806 -2.635 1.00 0.00 H new ATOM 8 N SER A 2 17.811 -0.963 -1.927 1.00 0.00 N ATOM 9 CA SER A 2 18.483 0.302 -2.198 1.00 0.00 C ATOM 10 C SER A 2 18.800 0.442 -3.684 1.00 0.00 C ATOM 11 O SER A 2 19.629 -0.290 -4.224 1.00 0.00 O ATOM 12 CB SER A 2 19.771 0.406 -1.379 1.00 0.00 C ATOM 13 OG SER A 2 19.489 0.685 -0.018 1.00 0.00 O ATOM 0 H SER A 2 18.419 -1.692 -1.555 1.00 0.00 H new ATOM 0 HA SER A 2 17.811 1.110 -1.910 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.330 -0.527 -1.454 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.405 1.191 -1.791 1.00 0.00 H new ATOM 0 HG SER A 2 20.328 0.745 0.484 1.00 0.00 H new ATOM 19 N SER A 3 18.132 1.387 -4.339 1.00 0.00 N ATOM 20 CA SER A 3 18.339 1.621 -5.763 1.00 0.00 C ATOM 21 C SER A 3 18.592 0.308 -6.498 1.00 0.00 C ATOM 22 O SER A 3 19.430 0.238 -7.396 1.00 0.00 O ATOM 23 CB SER A 3 19.515 2.575 -5.980 1.00 0.00 C ATOM 24 OG SER A 3 20.715 2.032 -5.456 1.00 0.00 O ATOM 0 H SER A 3 17.443 2.002 -3.906 1.00 0.00 H new ATOM 0 HA SER A 3 17.434 2.075 -6.166 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.636 2.772 -7.045 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.305 3.531 -5.501 1.00 0.00 H new ATOM 0 HG SER A 3 21.452 2.660 -5.608 1.00 0.00 H new ATOM 30 N GLY A 4 17.860 -0.732 -6.109 1.00 0.00 N ATOM 31 CA GLY A 4 18.020 -2.029 -6.740 1.00 0.00 C ATOM 32 C GLY A 4 16.882 -2.356 -7.687 1.00 0.00 C ATOM 33 O GLY A 4 17.096 -2.535 -8.886 1.00 0.00 O ATOM 0 H GLY A 4 17.159 -0.699 -5.368 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.962 -2.050 -7.288 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.082 -2.799 -5.971 1.00 0.00 H new ATOM 37 N SER A 5 15.670 -2.436 -7.149 1.00 0.00 N ATOM 38 CA SER A 5 14.495 -2.750 -7.953 1.00 0.00 C ATOM 39 C SER A 5 13.456 -1.637 -7.854 1.00 0.00 C ATOM 40 O SER A 5 13.501 -0.810 -6.944 1.00 0.00 O ATOM 41 CB SER A 5 13.882 -4.077 -7.503 1.00 0.00 C ATOM 42 OG SER A 5 12.929 -4.544 -8.442 1.00 0.00 O ATOM 0 H SER A 5 15.476 -2.288 -6.159 1.00 0.00 H new ATOM 0 HA SER A 5 14.810 -2.838 -8.993 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.669 -4.821 -7.379 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.407 -3.950 -6.530 1.00 0.00 H new ATOM 0 HG SER A 5 12.553 -5.394 -8.132 1.00 0.00 H new ATOM 48 N SER A 6 12.520 -1.624 -8.798 1.00 0.00 N ATOM 49 CA SER A 6 11.471 -0.611 -8.821 1.00 0.00 C ATOM 50 C SER A 6 10.097 -1.256 -8.979 1.00 0.00 C ATOM 51 O SER A 6 9.140 -0.876 -8.307 1.00 0.00 O ATOM 52 CB SER A 6 11.716 0.381 -9.959 1.00 0.00 C ATOM 53 OG SER A 6 12.902 1.125 -9.741 1.00 0.00 O ATOM 0 H SER A 6 12.467 -2.303 -9.557 1.00 0.00 H new ATOM 0 HA SER A 6 11.495 -0.076 -7.872 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.789 -0.156 -10.905 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.867 1.060 -10.043 1.00 0.00 H new ATOM 0 HG SER A 6 13.037 1.751 -10.483 1.00 0.00 H new ATOM 59 N GLY A 7 10.009 -2.235 -9.875 1.00 0.00 N ATOM 60 CA GLY A 7 8.750 -2.917 -10.107 1.00 0.00 C ATOM 61 C GLY A 7 8.647 -3.485 -11.508 1.00 0.00 C ATOM 62 O GLY A 7 8.734 -2.750 -12.493 1.00 0.00 O ATOM 0 H GLY A 7 10.788 -2.567 -10.444 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.639 -3.724 -9.382 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.928 -2.222 -9.939 1.00 0.00 H new ATOM 66 N THR A 8 8.464 -4.799 -11.601 1.00 0.00 N ATOM 67 CA THR A 8 8.353 -5.466 -12.892 1.00 0.00 C ATOM 68 C THR A 8 6.949 -6.021 -13.105 1.00 0.00 C ATOM 69 O THR A 8 6.660 -6.625 -14.139 1.00 0.00 O ATOM 70 CB THR A 8 9.372 -6.613 -13.021 1.00 0.00 C ATOM 71 OG1 THR A 8 9.419 -7.366 -11.804 1.00 0.00 O ATOM 72 CG2 THR A 8 10.757 -6.073 -13.343 1.00 0.00 C ATOM 0 H THR A 8 8.390 -5.422 -10.797 1.00 0.00 H new ATOM 0 HA THR A 8 8.564 -4.716 -13.655 1.00 0.00 H new ATOM 0 HB THR A 8 9.054 -7.262 -13.837 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.068 -8.095 -11.895 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.460 -6.902 -13.429 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.724 -5.526 -14.285 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.081 -5.404 -12.546 1.00 0.00 H new ATOM 80 N LEU A 9 6.081 -5.813 -12.122 1.00 0.00 N ATOM 81 CA LEU A 9 4.705 -6.293 -12.202 1.00 0.00 C ATOM 82 C LEU A 9 3.722 -5.194 -11.812 1.00 0.00 C ATOM 83 O LEU A 9 4.119 -4.138 -11.319 1.00 0.00 O ATOM 84 CB LEU A 9 4.515 -7.509 -11.294 1.00 0.00 C ATOM 85 CG LEU A 9 5.005 -7.355 -9.854 1.00 0.00 C ATOM 86 CD1 LEU A 9 4.281 -8.328 -8.936 1.00 0.00 C ATOM 87 CD2 LEU A 9 6.510 -7.567 -9.777 1.00 0.00 C ATOM 0 H LEU A 9 6.305 -5.315 -11.260 1.00 0.00 H new ATOM 0 HA LEU A 9 4.506 -6.583 -13.234 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.454 -7.758 -11.271 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.031 -8.357 -11.744 1.00 0.00 H new ATOM 0 HG LEU A 9 4.783 -6.341 -9.522 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.643 -8.203 -7.916 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.210 -8.129 -8.968 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.471 -9.349 -9.266 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.841 -7.454 -8.745 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.755 -8.569 -10.129 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.014 -6.830 -10.403 1.00 0.00 H new ATOM 99 N ARG A 10 2.437 -5.451 -12.035 1.00 0.00 N ATOM 100 CA ARG A 10 1.396 -4.484 -11.706 1.00 0.00 C ATOM 101 C ARG A 10 1.834 -3.069 -12.071 1.00 0.00 C ATOM 102 O ARG A 10 1.538 -2.113 -11.355 1.00 0.00 O ATOM 103 CB ARG A 10 1.056 -4.556 -10.217 1.00 0.00 C ATOM 104 CG ARG A 10 0.004 -5.601 -9.882 1.00 0.00 C ATOM 105 CD ARG A 10 -0.794 -5.212 -8.647 1.00 0.00 C ATOM 106 NE ARG A 10 -1.785 -6.225 -8.295 1.00 0.00 N ATOM 107 CZ ARG A 10 -2.900 -6.435 -8.987 1.00 0.00 C ATOM 108 NH1 ARG A 10 -3.163 -5.706 -10.062 1.00 0.00 N ATOM 109 NH2 ARG A 10 -3.753 -7.376 -8.603 1.00 0.00 N ATOM 0 H ARG A 10 2.092 -6.320 -12.442 1.00 0.00 H new ATOM 0 HA ARG A 10 0.508 -4.732 -12.287 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.964 -4.774 -9.656 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.704 -3.579 -9.886 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.671 -5.724 -10.729 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.486 -6.564 -9.716 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.114 -5.063 -7.808 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.295 -4.260 -8.824 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.612 -6.803 -7.473 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.509 -4.982 -10.360 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.019 -5.869 -10.592 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.553 -7.939 -7.776 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.609 -7.537 -9.135 1.00 0.00 H new ATOM 123 N ASN A 11 2.542 -2.943 -13.189 1.00 0.00 N ATOM 124 CA ASN A 11 3.022 -1.645 -13.648 1.00 0.00 C ATOM 125 C ASN A 11 3.500 -0.795 -12.475 1.00 0.00 C ATOM 126 O ASN A 11 3.240 0.407 -12.418 1.00 0.00 O ATOM 127 CB ASN A 11 1.917 -0.909 -14.409 1.00 0.00 C ATOM 128 CG ASN A 11 1.579 -1.577 -15.728 1.00 0.00 C ATOM 129 OD1 ASN A 11 0.659 -2.391 -15.806 1.00 0.00 O ATOM 130 ND2 ASN A 11 2.325 -1.236 -16.772 1.00 0.00 N ATOM 0 H ASN A 11 2.796 -3.724 -13.794 1.00 0.00 H new ATOM 0 HA ASN A 11 3.865 -1.814 -14.318 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.022 -0.862 -13.789 1.00 0.00 H new ATOM 0 HB3 ASN A 11 2.230 0.118 -14.595 1.00 0.00 H new ATOM 0 HD21 ASN A 11 2.146 -1.653 -17.685 1.00 0.00 H new ATOM 0 HD22 ASN A 11 3.078 -0.556 -16.661 1.00 0.00 H new ATOM 137 N TYR A 12 4.200 -1.428 -11.540 1.00 0.00 N ATOM 138 CA TYR A 12 4.713 -0.732 -10.366 1.00 0.00 C ATOM 139 C TYR A 12 5.802 0.263 -10.756 1.00 0.00 C ATOM 140 O TYR A 12 6.448 0.140 -11.797 1.00 0.00 O ATOM 141 CB TYR A 12 5.262 -1.735 -9.351 1.00 0.00 C ATOM 142 CG TYR A 12 4.193 -2.379 -8.497 1.00 0.00 C ATOM 143 CD1 TYR A 12 3.287 -1.605 -7.783 1.00 0.00 C ATOM 144 CD2 TYR A 12 4.090 -3.761 -8.404 1.00 0.00 C ATOM 145 CE1 TYR A 12 2.310 -2.189 -7.000 1.00 0.00 C ATOM 146 CE2 TYR A 12 3.115 -4.354 -7.626 1.00 0.00 C ATOM 147 CZ TYR A 12 2.227 -3.564 -6.925 1.00 0.00 C ATOM 148 OH TYR A 12 1.254 -4.149 -6.148 1.00 0.00 O ATOM 0 H TYR A 12 4.425 -2.422 -11.572 1.00 0.00 H new ATOM 0 HA TYR A 12 3.889 -0.182 -9.912 1.00 0.00 H new ATOM 0 HB2 TYR A 12 5.809 -2.514 -9.882 1.00 0.00 H new ATOM 0 HB3 TYR A 12 5.977 -1.229 -8.703 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.347 -0.528 -7.841 1.00 0.00 H new ATOM 0 HD2 TYR A 12 4.784 -4.383 -8.950 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.615 -1.572 -6.450 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.048 -5.430 -7.567 1.00 0.00 H new ATOM 0 HH TYR A 12 1.332 -5.124 -6.205 1.00 0.00 H new ATOM 158 N PRO A 13 6.013 1.274 -9.899 1.00 0.00 N ATOM 159 CA PRO A 13 5.250 1.431 -8.658 1.00 0.00 C ATOM 160 C PRO A 13 3.799 1.821 -8.914 1.00 0.00 C ATOM 161 O PRO A 13 3.428 2.169 -10.036 1.00 0.00 O ATOM 162 CB PRO A 13 5.986 2.558 -7.929 1.00 0.00 C ATOM 163 CG PRO A 13 6.650 3.338 -9.012 1.00 0.00 C ATOM 164 CD PRO A 13 7.011 2.341 -10.078 1.00 0.00 C ATOM 0 HA PRO A 13 5.198 0.501 -8.092 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.295 3.180 -7.360 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.715 2.162 -7.222 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.983 4.106 -9.405 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.538 3.848 -8.638 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.956 2.780 -11.074 1.00 0.00 H new ATOM 0 HD3 PRO A 13 8.027 1.967 -9.951 1.00 0.00 H new ATOM 172 N LEU A 14 2.981 1.762 -7.869 1.00 0.00 N ATOM 173 CA LEU A 14 1.569 2.111 -7.981 1.00 0.00 C ATOM 174 C LEU A 14 1.114 2.933 -6.780 1.00 0.00 C ATOM 175 O LEU A 14 1.065 2.436 -5.655 1.00 0.00 O ATOM 176 CB LEU A 14 0.719 0.844 -8.098 1.00 0.00 C ATOM 177 CG LEU A 14 0.537 0.285 -9.509 1.00 0.00 C ATOM 178 CD1 LEU A 14 -0.153 -1.069 -9.462 1.00 0.00 C ATOM 179 CD2 LEU A 14 -0.254 1.259 -10.371 1.00 0.00 C ATOM 0 H LEU A 14 3.271 1.476 -6.934 1.00 0.00 H new ATOM 0 HA LEU A 14 1.439 2.714 -8.880 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.170 0.070 -7.478 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.267 1.052 -7.682 1.00 0.00 H new ATOM 0 HG LEU A 14 1.522 0.152 -9.956 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.274 -1.451 -10.476 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.452 -1.766 -8.881 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.132 -0.962 -8.995 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.374 0.845 -11.372 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.236 1.424 -9.927 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.280 2.207 -10.432 1.00 0.00 H new ATOM 191 N THR A 15 0.779 4.196 -7.027 1.00 0.00 N ATOM 192 CA THR A 15 0.327 5.088 -5.967 1.00 0.00 C ATOM 193 C THR A 15 -1.106 4.770 -5.554 1.00 0.00 C ATOM 194 O THR A 15 -2.000 4.685 -6.397 1.00 0.00 O ATOM 195 CB THR A 15 0.408 6.564 -6.401 1.00 0.00 C ATOM 196 OG1 THR A 15 1.686 6.832 -6.989 1.00 0.00 O ATOM 197 CG2 THR A 15 0.186 7.490 -5.215 1.00 0.00 C ATOM 0 H THR A 15 0.812 4.624 -7.952 1.00 0.00 H new ATOM 0 HA THR A 15 0.991 4.930 -5.117 1.00 0.00 H new ATOM 0 HB THR A 15 -0.376 6.747 -7.136 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.729 7.772 -7.264 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.248 8.527 -5.546 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.799 7.304 -4.787 1.00 0.00 H new ATOM 0 HG23 THR A 15 0.950 7.304 -4.460 1.00 0.00 H new ATOM 205 N CYS A 16 -1.317 4.595 -4.254 1.00 0.00 N ATOM 206 CA CYS A 16 -2.643 4.286 -3.730 1.00 0.00 C ATOM 207 C CYS A 16 -3.041 5.276 -2.641 1.00 0.00 C ATOM 208 O CYS A 16 -2.187 5.904 -2.014 1.00 0.00 O ATOM 209 CB CYS A 16 -2.675 2.861 -3.177 1.00 0.00 C ATOM 210 SG CYS A 16 -1.382 2.510 -1.964 1.00 0.00 S ATOM 0 H CYS A 16 -0.588 4.662 -3.544 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.359 4.367 -4.548 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.647 2.683 -2.717 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.581 2.159 -4.006 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.506 3.317 -0.952 1.00 0.00 H new ATOM 216 N LYS A 17 -4.344 5.413 -2.420 1.00 0.00 N ATOM 217 CA LYS A 17 -4.857 6.326 -1.406 1.00 0.00 C ATOM 218 C LYS A 17 -5.526 5.559 -0.270 1.00 0.00 C ATOM 219 O LYS A 17 -6.556 4.914 -0.465 1.00 0.00 O ATOM 220 CB LYS A 17 -5.855 7.305 -2.031 1.00 0.00 C ATOM 221 CG LYS A 17 -6.597 8.151 -1.011 1.00 0.00 C ATOM 222 CD LYS A 17 -5.816 9.404 -0.651 1.00 0.00 C ATOM 223 CE LYS A 17 -6.134 10.550 -1.598 1.00 0.00 C ATOM 224 NZ LYS A 17 -5.304 10.496 -2.833 1.00 0.00 N ATOM 0 H LYS A 17 -5.065 4.903 -2.930 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.015 6.885 -0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.324 7.963 -2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.580 6.745 -2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.572 8.431 -1.410 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.777 7.563 -0.111 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.051 9.700 0.371 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.748 9.190 -0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.189 10.516 -1.868 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.966 11.499 -1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.178 11.457 -3.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.374 10.087 -2.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.779 9.905 -3.545 1.00 0.00 H new ATOM 238 N VAL A 18 -4.933 5.634 0.918 1.00 0.00 N ATOM 239 CA VAL A 18 -5.473 4.949 2.086 1.00 0.00 C ATOM 240 C VAL A 18 -6.853 5.486 2.449 1.00 0.00 C ATOM 241 O VAL A 18 -6.977 6.555 3.046 1.00 0.00 O ATOM 242 CB VAL A 18 -4.540 5.095 3.303 1.00 0.00 C ATOM 243 CG1 VAL A 18 -5.129 4.389 4.515 1.00 0.00 C ATOM 244 CG2 VAL A 18 -3.156 4.553 2.980 1.00 0.00 C ATOM 0 H VAL A 18 -4.079 6.162 1.096 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.555 3.894 1.825 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.444 6.154 3.541 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.456 4.503 5.365 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.097 4.828 4.757 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.257 3.330 4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.510 4.664 3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.231 3.498 2.716 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.734 5.108 2.142 1.00 0.00 H new ATOM 254 N VAL A 19 -7.888 4.736 2.086 1.00 0.00 N ATOM 255 CA VAL A 19 -9.260 5.135 2.376 1.00 0.00 C ATOM 256 C VAL A 19 -9.707 4.619 3.739 1.00 0.00 C ATOM 257 O VAL A 19 -10.626 5.165 4.350 1.00 0.00 O ATOM 258 CB VAL A 19 -10.234 4.619 1.299 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.215 5.529 0.081 1.00 0.00 C ATOM 260 CG2 VAL A 19 -9.890 3.188 0.912 1.00 0.00 C ATOM 0 H VAL A 19 -7.803 3.849 1.590 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.278 6.225 2.380 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.243 4.627 1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.909 5.148 -0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.514 6.535 0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.209 5.556 -0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.588 2.839 0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.874 3.152 0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.961 2.546 1.790 1.00 0.00 H new ATOM 270 N TYR A 20 -9.050 3.565 4.210 1.00 0.00 N ATOM 271 CA TYR A 20 -9.381 2.973 5.501 1.00 0.00 C ATOM 272 C TYR A 20 -8.150 2.903 6.400 1.00 0.00 C ATOM 273 O TYR A 20 -7.162 2.248 6.067 1.00 0.00 O ATOM 274 CB TYR A 20 -9.967 1.574 5.310 1.00 0.00 C ATOM 275 CG TYR A 20 -11.373 1.577 4.753 1.00 0.00 C ATOM 276 CD1 TYR A 20 -12.475 1.635 5.598 1.00 0.00 C ATOM 277 CD2 TYR A 20 -11.599 1.520 3.384 1.00 0.00 C ATOM 278 CE1 TYR A 20 -13.761 1.637 5.094 1.00 0.00 C ATOM 279 CE2 TYR A 20 -12.882 1.523 2.871 1.00 0.00 C ATOM 280 CZ TYR A 20 -13.960 1.582 3.731 1.00 0.00 C ATOM 281 OH TYR A 20 -15.239 1.584 3.224 1.00 0.00 O ATOM 0 H TYR A 20 -8.285 3.103 3.718 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.125 3.608 5.983 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.321 1.007 4.640 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -9.966 1.055 6.268 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -12.323 1.679 6.666 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.758 1.473 2.709 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -14.607 1.681 5.764 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.040 1.479 1.804 1.00 0.00 H new ATOM 0 HH TYR A 20 -15.203 1.542 2.246 1.00 0.00 H new ATOM 291 N SER A 21 -8.218 3.582 7.540 1.00 0.00 N ATOM 292 CA SER A 21 -7.108 3.600 8.486 1.00 0.00 C ATOM 293 C SER A 21 -6.842 2.203 9.038 1.00 0.00 C ATOM 294 O SER A 21 -7.759 1.393 9.176 1.00 0.00 O ATOM 295 CB SER A 21 -7.406 4.567 9.635 1.00 0.00 C ATOM 296 OG SER A 21 -8.290 3.984 10.576 1.00 0.00 O ATOM 0 H SER A 21 -9.030 4.127 7.831 1.00 0.00 H new ATOM 0 HA SER A 21 -6.217 3.938 7.957 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.476 4.846 10.130 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.844 5.483 9.239 1.00 0.00 H new ATOM 0 HG SER A 21 -8.463 4.621 11.300 1.00 0.00 H new ATOM 302 N TYR A 22 -5.581 1.929 9.353 1.00 0.00 N ATOM 303 CA TYR A 22 -5.193 0.629 9.887 1.00 0.00 C ATOM 304 C TYR A 22 -3.979 0.758 10.803 1.00 0.00 C ATOM 305 O TYR A 22 -2.879 1.083 10.354 1.00 0.00 O ATOM 306 CB TYR A 22 -4.885 -0.344 8.748 1.00 0.00 C ATOM 307 CG TYR A 22 -4.455 -1.714 9.220 1.00 0.00 C ATOM 308 CD1 TYR A 22 -5.390 -2.646 9.655 1.00 0.00 C ATOM 309 CD2 TYR A 22 -3.114 -2.077 9.232 1.00 0.00 C ATOM 310 CE1 TYR A 22 -5.001 -3.898 10.089 1.00 0.00 C ATOM 311 CE2 TYR A 22 -2.717 -3.328 9.662 1.00 0.00 C ATOM 312 CZ TYR A 22 -3.664 -4.235 10.090 1.00 0.00 C ATOM 313 OH TYR A 22 -3.273 -5.483 10.520 1.00 0.00 O ATOM 0 H TYR A 22 -4.811 2.589 9.248 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.028 0.241 10.471 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.770 -0.447 8.120 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.098 0.079 8.123 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.438 -2.387 9.654 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.369 -1.369 8.899 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.740 -4.610 10.426 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.670 -3.595 9.663 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.298 -5.560 10.456 1.00 0.00 H new ATOM 323 N LYS A 23 -4.186 0.499 12.089 1.00 0.00 N ATOM 324 CA LYS A 23 -3.110 0.583 13.070 1.00 0.00 C ATOM 325 C LYS A 23 -2.255 -0.680 13.049 1.00 0.00 C ATOM 326 O LYS A 23 -2.718 -1.761 13.413 1.00 0.00 O ATOM 327 CB LYS A 23 -3.686 0.798 14.472 1.00 0.00 C ATOM 328 CG LYS A 23 -2.647 0.711 15.576 1.00 0.00 C ATOM 329 CD LYS A 23 -2.011 2.064 15.851 1.00 0.00 C ATOM 330 CE LYS A 23 -2.946 2.968 16.640 1.00 0.00 C ATOM 331 NZ LYS A 23 -2.202 4.027 17.377 1.00 0.00 N ATOM 0 H LYS A 23 -5.090 0.229 12.477 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.479 1.432 12.808 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.166 1.776 14.512 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.462 0.054 14.655 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.113 0.335 16.487 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.875 -0.005 15.294 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.083 1.925 16.406 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.750 2.543 14.907 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.661 3.432 15.961 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.520 2.369 17.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.874 4.622 17.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.537 3.585 18.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.674 4.615 16.701 1.00 0.00 H new ATOM 345 N ALA A 24 -1.005 -0.536 12.621 1.00 0.00 N ATOM 346 CA ALA A 24 -0.085 -1.664 12.556 1.00 0.00 C ATOM 347 C ALA A 24 0.173 -2.243 13.943 1.00 0.00 C ATOM 348 O ALA A 24 0.605 -1.534 14.852 1.00 0.00 O ATOM 349 CB ALA A 24 1.225 -1.240 11.907 1.00 0.00 C ATOM 0 H ALA A 24 -0.607 0.351 12.314 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.545 -2.442 11.946 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.903 -2.093 11.865 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.031 -0.881 10.896 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.681 -0.443 12.494 1.00 0.00 H new ATOM 355 N SER A 25 -0.096 -3.535 14.099 1.00 0.00 N ATOM 356 CA SER A 25 0.102 -4.208 15.377 1.00 0.00 C ATOM 357 C SER A 25 1.390 -5.026 15.367 1.00 0.00 C ATOM 358 O SER A 25 1.911 -5.397 16.418 1.00 0.00 O ATOM 359 CB SER A 25 -1.089 -5.116 15.690 1.00 0.00 C ATOM 360 OG SER A 25 -2.227 -4.356 16.056 1.00 0.00 O ATOM 0 H SER A 25 -0.452 -4.137 13.356 1.00 0.00 H new ATOM 0 HA SER A 25 0.182 -3.445 16.152 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.322 -5.729 14.819 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.828 -5.798 16.499 1.00 0.00 H new ATOM 0 HG SER A 25 -2.975 -4.959 16.249 1.00 0.00 H new ATOM 366 N GLN A 26 1.898 -5.302 14.170 1.00 0.00 N ATOM 367 CA GLN A 26 3.125 -6.077 14.021 1.00 0.00 C ATOM 368 C GLN A 26 4.266 -5.198 13.520 1.00 0.00 C ATOM 369 O GLN A 26 4.058 -4.212 12.812 1.00 0.00 O ATOM 370 CB GLN A 26 2.903 -7.244 13.058 1.00 0.00 C ATOM 371 CG GLN A 26 2.316 -8.478 13.722 1.00 0.00 C ATOM 372 CD GLN A 26 2.223 -9.661 12.778 1.00 0.00 C ATOM 373 OE1 GLN A 26 1.967 -9.499 11.585 1.00 0.00 O ATOM 374 NE2 GLN A 26 2.432 -10.860 13.309 1.00 0.00 N ATOM 0 H GLN A 26 1.480 -5.001 13.290 1.00 0.00 H new ATOM 0 HA GLN A 26 3.397 -6.471 15.000 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.238 -6.922 12.257 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.854 -7.508 12.595 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.930 -8.751 14.580 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.322 -8.243 14.103 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.641 -10.948 14.303 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.383 -11.693 12.722 1.00 0.00 H new ATOM 383 N PRO A 27 5.502 -5.561 13.895 1.00 0.00 N ATOM 384 CA PRO A 27 6.701 -4.818 13.495 1.00 0.00 C ATOM 385 C PRO A 27 7.003 -4.965 12.007 1.00 0.00 C ATOM 386 O PRO A 27 7.830 -4.236 11.458 1.00 0.00 O ATOM 387 CB PRO A 27 7.811 -5.459 14.332 1.00 0.00 C ATOM 388 CG PRO A 27 7.319 -6.835 14.624 1.00 0.00 C ATOM 389 CD PRO A 27 5.824 -6.724 14.739 1.00 0.00 C ATOM 0 HA PRO A 27 6.591 -3.746 13.659 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.754 -5.483 13.786 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.988 -4.899 15.250 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.599 -7.526 13.829 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.754 -7.217 15.547 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.326 -7.627 14.386 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.511 -6.570 15.772 1.00 0.00 H new ATOM 397 N ASP A 28 6.329 -5.910 11.362 1.00 0.00 N ATOM 398 CA ASP A 28 6.525 -6.150 9.937 1.00 0.00 C ATOM 399 C ASP A 28 5.474 -5.414 9.112 1.00 0.00 C ATOM 400 O ASP A 28 5.544 -5.385 7.884 1.00 0.00 O ATOM 401 CB ASP A 28 6.468 -7.649 9.638 1.00 0.00 C ATOM 402 CG ASP A 28 7.777 -8.351 9.943 1.00 0.00 C ATOM 403 OD1 ASP A 28 8.837 -7.699 9.840 1.00 0.00 O ATOM 404 OD2 ASP A 28 7.740 -9.551 10.284 1.00 0.00 O ATOM 0 H ASP A 28 5.642 -6.522 11.803 1.00 0.00 H new ATOM 0 HA ASP A 28 7.509 -5.769 9.662 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.670 -8.103 10.225 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.215 -7.798 8.588 1.00 0.00 H new ATOM 409 N GLU A 29 4.500 -4.822 9.796 1.00 0.00 N ATOM 410 CA GLU A 29 3.433 -4.088 9.125 1.00 0.00 C ATOM 411 C GLU A 29 3.775 -2.604 9.024 1.00 0.00 C ATOM 412 O GLU A 29 4.803 -2.156 9.533 1.00 0.00 O ATOM 413 CB GLU A 29 2.111 -4.268 9.874 1.00 0.00 C ATOM 414 CG GLU A 29 1.305 -5.468 9.405 1.00 0.00 C ATOM 415 CD GLU A 29 2.095 -6.761 9.465 1.00 0.00 C ATOM 416 OE1 GLU A 29 3.100 -6.807 10.205 1.00 0.00 O ATOM 417 OE2 GLU A 29 1.708 -7.726 8.773 1.00 0.00 O ATOM 0 H GLU A 29 4.428 -4.836 10.813 1.00 0.00 H new ATOM 0 HA GLU A 29 3.328 -4.489 8.117 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.318 -4.373 10.939 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.509 -3.367 9.754 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.411 -5.564 10.021 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.970 -5.298 8.382 1.00 0.00 H new ATOM 424 N LEU A 30 2.906 -1.847 8.363 1.00 0.00 N ATOM 425 CA LEU A 30 3.114 -0.413 8.194 1.00 0.00 C ATOM 426 C LEU A 30 1.906 0.375 8.690 1.00 0.00 C ATOM 427 O LEU A 30 0.791 0.200 8.198 1.00 0.00 O ATOM 428 CB LEU A 30 3.381 -0.087 6.723 1.00 0.00 C ATOM 429 CG LEU A 30 4.276 1.123 6.456 1.00 0.00 C ATOM 430 CD1 LEU A 30 3.552 2.412 6.814 1.00 0.00 C ATOM 431 CD2 LEU A 30 5.578 1.007 7.236 1.00 0.00 C ATOM 0 H LEU A 30 2.051 -2.202 7.935 1.00 0.00 H new ATOM 0 HA LEU A 30 3.981 -0.124 8.788 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.835 -0.960 6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.424 0.078 6.229 1.00 0.00 H new ATOM 0 HG LEU A 30 4.514 1.147 5.392 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.205 3.263 6.617 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.648 2.501 6.211 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.284 2.397 7.870 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.202 1.877 7.033 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.360 0.957 8.303 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.106 0.103 6.931 1.00 0.00 H new ATOM 443 N THR A 31 2.136 1.246 9.668 1.00 0.00 N ATOM 444 CA THR A 31 1.067 2.063 10.230 1.00 0.00 C ATOM 445 C THR A 31 0.513 3.034 9.194 1.00 0.00 C ATOM 446 O THR A 31 1.195 3.973 8.783 1.00 0.00 O ATOM 447 CB THR A 31 1.555 2.860 11.455 1.00 0.00 C ATOM 448 OG1 THR A 31 2.173 1.978 12.399 1.00 0.00 O ATOM 449 CG2 THR A 31 0.399 3.592 12.119 1.00 0.00 C ATOM 0 H THR A 31 3.052 1.404 10.087 1.00 0.00 H new ATOM 0 HA THR A 31 0.277 1.379 10.541 1.00 0.00 H new ATOM 0 HB THR A 31 2.284 3.596 11.115 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.482 2.493 13.174 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.767 4.148 12.981 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.051 4.284 11.407 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.349 2.870 12.446 1.00 0.00 H new ATOM 457 N ILE A 32 -0.726 2.801 8.775 1.00 0.00 N ATOM 458 CA ILE A 32 -1.372 3.657 7.788 1.00 0.00 C ATOM 459 C ILE A 32 -2.611 4.329 8.369 1.00 0.00 C ATOM 460 O ILE A 32 -3.187 3.851 9.346 1.00 0.00 O ATOM 461 CB ILE A 32 -1.774 2.863 6.531 1.00 0.00 C ATOM 462 CG1 ILE A 32 -2.891 1.872 6.864 1.00 0.00 C ATOM 463 CG2 ILE A 32 -0.567 2.136 5.955 1.00 0.00 C ATOM 464 CD1 ILE A 32 -3.511 1.228 5.643 1.00 0.00 C ATOM 0 H ILE A 32 -1.303 2.026 9.104 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.645 4.420 7.509 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.145 3.561 5.781 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.492 1.092 7.513 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.668 2.389 7.427 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.867 1.579 5.067 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.201 2.862 5.686 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.169 1.446 6.699 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.295 0.538 5.954 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.940 1.999 5.003 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.746 0.683 5.091 1.00 0.00 H new ATOM 476 N GLU A 33 -3.016 5.439 7.760 1.00 0.00 N ATOM 477 CA GLU A 33 -4.189 6.176 8.217 1.00 0.00 C ATOM 478 C GLU A 33 -4.902 6.845 7.046 1.00 0.00 C ATOM 479 O GLU A 33 -4.270 7.248 6.070 1.00 0.00 O ATOM 480 CB GLU A 33 -3.785 7.229 9.251 1.00 0.00 C ATOM 481 CG GLU A 33 -3.822 6.722 10.683 1.00 0.00 C ATOM 482 CD GLU A 33 -3.694 7.838 11.701 1.00 0.00 C ATOM 483 OE1 GLU A 33 -4.510 8.782 11.653 1.00 0.00 O ATOM 484 OE2 GLU A 33 -2.777 7.768 12.546 1.00 0.00 O ATOM 0 H GLU A 33 -2.550 5.847 6.950 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.875 5.466 8.680 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.778 7.580 9.025 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.450 8.088 9.161 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.757 6.188 10.851 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.014 6.005 10.832 1.00 0.00 H new ATOM 491 N GLU A 34 -6.222 6.958 7.151 1.00 0.00 N ATOM 492 CA GLU A 34 -7.022 7.576 6.099 1.00 0.00 C ATOM 493 C GLU A 34 -6.396 8.891 5.643 1.00 0.00 C ATOM 494 O GLU A 34 -5.756 9.592 6.426 1.00 0.00 O ATOM 495 CB GLU A 34 -8.450 7.821 6.591 1.00 0.00 C ATOM 496 CG GLU A 34 -9.395 8.297 5.501 1.00 0.00 C ATOM 497 CD GLU A 34 -10.833 8.385 5.974 1.00 0.00 C ATOM 498 OE1 GLU A 34 -11.271 7.478 6.714 1.00 0.00 O ATOM 499 OE2 GLU A 34 -11.521 9.360 5.606 1.00 0.00 O ATOM 0 H GLU A 34 -6.760 6.630 7.953 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.051 6.893 5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.840 6.899 7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.428 8.562 7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.072 9.276 5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.337 7.616 4.652 1.00 0.00 H new ATOM 506 N HIS A 35 -6.586 9.219 4.368 1.00 0.00 N ATOM 507 CA HIS A 35 -6.041 10.449 3.806 1.00 0.00 C ATOM 508 C HIS A 35 -4.520 10.379 3.719 1.00 0.00 C ATOM 509 O HIS A 35 -3.836 11.396 3.832 1.00 0.00 O ATOM 510 CB HIS A 35 -6.461 11.651 4.653 1.00 0.00 C ATOM 511 CG HIS A 35 -7.893 11.607 5.089 1.00 0.00 C ATOM 512 ND1 HIS A 35 -8.947 11.539 4.203 1.00 0.00 N ATOM 513 CD2 HIS A 35 -8.443 11.619 6.325 1.00 0.00 C ATOM 514 CE1 HIS A 35 -10.084 11.513 4.876 1.00 0.00 C ATOM 515 NE2 HIS A 35 -9.805 11.560 6.166 1.00 0.00 N ATOM 0 H HIS A 35 -7.113 8.650 3.706 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.439 10.567 2.798 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.823 11.704 5.535 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.292 12.564 4.082 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.909 11.666 7.263 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.073 11.462 4.445 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.490 11.554 6.921 1.00 0.00 H new ATOM 524 N GLU A 36 -3.998 9.173 3.518 1.00 0.00 N ATOM 525 CA GLU A 36 -2.557 8.972 3.417 1.00 0.00 C ATOM 526 C GLU A 36 -2.207 8.155 2.177 1.00 0.00 C ATOM 527 O GLU A 36 -2.255 6.925 2.196 1.00 0.00 O ATOM 528 CB GLU A 36 -2.030 8.269 4.670 1.00 0.00 C ATOM 529 CG GLU A 36 -0.513 8.250 4.764 1.00 0.00 C ATOM 530 CD GLU A 36 0.041 9.460 5.491 1.00 0.00 C ATOM 531 OE1 GLU A 36 -0.001 9.472 6.739 1.00 0.00 O ATOM 532 OE2 GLU A 36 0.517 10.394 4.813 1.00 0.00 O ATOM 0 H GLU A 36 -4.551 8.321 3.422 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.084 9.950 3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.434 8.765 5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.400 7.244 4.684 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.196 7.344 5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.091 8.209 3.760 1.00 0.00 H new ATOM 539 N VAL A 37 -1.856 8.848 1.098 1.00 0.00 N ATOM 540 CA VAL A 37 -1.498 8.188 -0.151 1.00 0.00 C ATOM 541 C VAL A 37 -0.072 7.651 -0.100 1.00 0.00 C ATOM 542 O VAL A 37 0.874 8.394 0.165 1.00 0.00 O ATOM 543 CB VAL A 37 -1.630 9.147 -1.350 1.00 0.00 C ATOM 544 CG1 VAL A 37 -0.745 10.368 -1.158 1.00 0.00 C ATOM 545 CG2 VAL A 37 -1.288 8.428 -2.646 1.00 0.00 C ATOM 0 H VAL A 37 -1.812 9.867 1.064 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.192 7.357 -0.280 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.664 9.485 -1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.852 11.033 -2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.043 10.894 -0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.295 10.053 -1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.386 9.120 -3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.263 8.060 -2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.969 7.589 -2.787 1.00 0.00 H new ATOM 555 N LEU A 38 0.076 6.356 -0.355 1.00 0.00 N ATOM 556 CA LEU A 38 1.388 5.718 -0.338 1.00 0.00 C ATOM 557 C LEU A 38 1.811 5.306 -1.745 1.00 0.00 C ATOM 558 O LEU A 38 1.109 5.579 -2.718 1.00 0.00 O ATOM 559 CB LEU A 38 1.370 4.494 0.580 1.00 0.00 C ATOM 560 CG LEU A 38 0.643 4.666 1.914 1.00 0.00 C ATOM 561 CD1 LEU A 38 0.073 3.338 2.387 1.00 0.00 C ATOM 562 CD2 LEU A 38 1.581 5.249 2.961 1.00 0.00 C ATOM 0 H LEU A 38 -0.696 5.727 -0.576 1.00 0.00 H new ATOM 0 HA LEU A 38 2.111 6.440 0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.907 3.667 0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.400 4.204 0.785 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.184 5.361 1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.441 3.480 3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.632 2.960 1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.883 2.620 2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.047 5.365 3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.429 4.579 3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.940 6.222 2.626 1.00 0.00 H new ATOM 574 N GLU A 39 2.962 4.648 -1.842 1.00 0.00 N ATOM 575 CA GLU A 39 3.477 4.198 -3.130 1.00 0.00 C ATOM 576 C GLU A 39 3.887 2.730 -3.069 1.00 0.00 C ATOM 577 O GLU A 39 4.931 2.388 -2.512 1.00 0.00 O ATOM 578 CB GLU A 39 4.671 5.056 -3.554 1.00 0.00 C ATOM 579 CG GLU A 39 5.104 4.827 -4.993 1.00 0.00 C ATOM 580 CD GLU A 39 6.172 5.805 -5.443 1.00 0.00 C ATOM 581 OE1 GLU A 39 5.829 6.975 -5.712 1.00 0.00 O ATOM 582 OE2 GLU A 39 7.350 5.400 -5.526 1.00 0.00 O ATOM 0 H GLU A 39 3.555 4.415 -1.045 1.00 0.00 H new ATOM 0 HA GLU A 39 2.682 4.304 -3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.417 6.108 -3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.512 4.846 -2.893 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.481 3.810 -5.098 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.237 4.915 -5.648 1.00 0.00 H new ATOM 589 N VAL A 40 3.058 1.865 -3.645 1.00 0.00 N ATOM 590 CA VAL A 40 3.334 0.433 -3.658 1.00 0.00 C ATOM 591 C VAL A 40 4.467 0.100 -4.622 1.00 0.00 C ATOM 592 O VAL A 40 4.346 0.303 -5.830 1.00 0.00 O ATOM 593 CB VAL A 40 2.084 -0.375 -4.053 1.00 0.00 C ATOM 594 CG1 VAL A 40 2.369 -1.868 -3.981 1.00 0.00 C ATOM 595 CG2 VAL A 40 0.907 -0.006 -3.162 1.00 0.00 C ATOM 0 H VAL A 40 2.189 2.131 -4.109 1.00 0.00 H new ATOM 0 HA VAL A 40 3.631 0.158 -2.646 1.00 0.00 H new ATOM 0 HB VAL A 40 1.823 -0.127 -5.082 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.475 -2.423 -4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.181 -2.117 -4.664 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.656 -2.135 -2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.032 -0.587 -3.455 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.155 -0.223 -2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.689 1.057 -3.268 1.00 0.00 H new ATOM 605 N ILE A 41 5.566 -0.412 -4.079 1.00 0.00 N ATOM 606 CA ILE A 41 6.721 -0.775 -4.892 1.00 0.00 C ATOM 607 C ILE A 41 6.773 -2.280 -5.131 1.00 0.00 C ATOM 608 O ILE A 41 7.348 -2.741 -6.116 1.00 0.00 O ATOM 609 CB ILE A 41 8.037 -0.325 -4.232 1.00 0.00 C ATOM 610 CG1 ILE A 41 8.165 -0.931 -2.833 1.00 0.00 C ATOM 611 CG2 ILE A 41 8.105 1.193 -4.165 1.00 0.00 C ATOM 612 CD1 ILE A 41 9.389 -0.459 -2.079 1.00 0.00 C ATOM 0 H ILE A 41 5.681 -0.585 -3.080 1.00 0.00 H new ATOM 0 HA ILE A 41 6.609 -0.262 -5.847 1.00 0.00 H new ATOM 0 HB ILE A 41 8.870 -0.680 -4.839 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.274 -0.683 -2.256 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.197 -2.017 -2.918 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.041 1.495 -3.696 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.055 1.604 -5.173 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.267 1.569 -3.578 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.415 -0.929 -1.096 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.286 -0.731 -2.635 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.349 0.624 -1.962 1.00 0.00 H new ATOM 624 N GLU A 42 6.167 -3.039 -4.224 1.00 0.00 N ATOM 625 CA GLU A 42 6.144 -4.493 -4.337 1.00 0.00 C ATOM 626 C GLU A 42 4.841 -5.062 -3.784 1.00 0.00 C ATOM 627 O GLU A 42 4.139 -4.401 -3.018 1.00 0.00 O ATOM 628 CB GLU A 42 7.336 -5.103 -3.596 1.00 0.00 C ATOM 629 CG GLU A 42 8.600 -5.180 -4.436 1.00 0.00 C ATOM 630 CD GLU A 42 8.494 -6.194 -5.559 1.00 0.00 C ATOM 631 OE1 GLU A 42 8.096 -7.345 -5.284 1.00 0.00 O ATOM 632 OE2 GLU A 42 8.810 -5.835 -6.712 1.00 0.00 O ATOM 0 H GLU A 42 5.686 -2.672 -3.403 1.00 0.00 H new ATOM 0 HA GLU A 42 6.212 -4.751 -5.394 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.539 -4.512 -2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.071 -6.106 -3.261 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.812 -4.197 -4.858 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.442 -5.440 -3.795 1.00 0.00 H new ATOM 639 N ASP A 43 4.525 -6.291 -4.176 1.00 0.00 N ATOM 640 CA ASP A 43 3.307 -6.950 -3.719 1.00 0.00 C ATOM 641 C ASP A 43 3.523 -7.610 -2.361 1.00 0.00 C ATOM 642 O ASP A 43 2.751 -8.476 -1.951 1.00 0.00 O ATOM 643 CB ASP A 43 2.852 -7.993 -4.741 1.00 0.00 C ATOM 644 CG ASP A 43 3.457 -9.359 -4.482 1.00 0.00 C ATOM 645 OD1 ASP A 43 4.692 -9.440 -4.321 1.00 0.00 O ATOM 646 OD2 ASP A 43 2.694 -10.347 -4.440 1.00 0.00 O ATOM 0 H ASP A 43 5.095 -6.851 -4.809 1.00 0.00 H new ATOM 0 HA ASP A 43 2.530 -6.192 -3.615 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.765 -8.070 -4.718 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.127 -7.661 -5.742 1.00 0.00 H new ATOM 651 N GLY A 44 4.579 -7.195 -1.668 1.00 0.00 N ATOM 652 CA GLY A 44 4.879 -7.758 -0.364 1.00 0.00 C ATOM 653 C GLY A 44 5.103 -9.256 -0.417 1.00 0.00 C ATOM 654 O GLY A 44 4.993 -9.870 -1.478 1.00 0.00 O ATOM 0 H GLY A 44 5.232 -6.479 -1.986 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.768 -7.275 0.041 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.059 -7.540 0.320 1.00 0.00 H new ATOM 658 N ASP A 45 5.420 -9.846 0.730 1.00 0.00 N ATOM 659 CA ASP A 45 5.661 -11.282 0.811 1.00 0.00 C ATOM 660 C ASP A 45 4.380 -12.064 0.542 1.00 0.00 C ATOM 661 O ASP A 45 4.406 -13.116 -0.097 1.00 0.00 O ATOM 662 CB ASP A 45 6.219 -11.650 2.187 1.00 0.00 C ATOM 663 CG ASP A 45 7.729 -11.527 2.251 1.00 0.00 C ATOM 664 OD1 ASP A 45 8.298 -10.766 1.441 1.00 0.00 O ATOM 665 OD2 ASP A 45 8.341 -12.192 3.112 1.00 0.00 O ATOM 0 H ASP A 45 5.516 -9.352 1.617 1.00 0.00 H new ATOM 0 HA ASP A 45 6.393 -11.546 0.048 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.772 -11.003 2.942 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.930 -12.672 2.432 1.00 0.00 H new ATOM 670 N MET A 46 3.260 -11.544 1.034 1.00 0.00 N ATOM 671 CA MET A 46 1.969 -12.194 0.846 1.00 0.00 C ATOM 672 C MET A 46 1.250 -11.632 -0.376 1.00 0.00 C ATOM 673 O MET A 46 1.731 -10.696 -1.014 1.00 0.00 O ATOM 674 CB MET A 46 1.098 -12.016 2.091 1.00 0.00 C ATOM 675 CG MET A 46 1.576 -12.822 3.288 1.00 0.00 C ATOM 676 SD MET A 46 3.199 -12.300 3.873 1.00 0.00 S ATOM 677 CE MET A 46 2.783 -11.650 5.489 1.00 0.00 C ATOM 0 H MET A 46 3.221 -10.674 1.566 1.00 0.00 H new ATOM 0 HA MET A 46 2.146 -13.257 0.684 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.075 -10.960 2.360 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.075 -12.307 1.853 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.854 -12.725 4.098 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.613 -13.878 3.019 1.00 0.00 H new ATOM 0 HE1 MET A 46 3.687 -11.287 5.979 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.074 -10.829 5.380 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.335 -12.438 6.094 1.00 0.00 H new ATOM 687 N GLU A 47 0.096 -12.209 -0.696 1.00 0.00 N ATOM 688 CA GLU A 47 -0.688 -11.765 -1.843 1.00 0.00 C ATOM 689 C GLU A 47 -1.627 -10.628 -1.453 1.00 0.00 C ATOM 690 O GLU A 47 -1.643 -9.575 -2.090 1.00 0.00 O ATOM 691 CB GLU A 47 -1.493 -12.931 -2.421 1.00 0.00 C ATOM 692 CG GLU A 47 -0.660 -13.892 -3.253 1.00 0.00 C ATOM 693 CD GLU A 47 0.023 -13.210 -4.423 1.00 0.00 C ATOM 694 OE1 GLU A 47 -0.631 -12.383 -5.091 1.00 0.00 O ATOM 695 OE2 GLU A 47 1.212 -13.503 -4.669 1.00 0.00 O ATOM 0 H GLU A 47 -0.317 -12.984 -0.178 1.00 0.00 H new ATOM 0 HA GLU A 47 0.003 -11.398 -2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.958 -13.481 -1.603 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.299 -12.534 -3.038 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.094 -14.357 -2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.300 -14.692 -3.626 1.00 0.00 H new ATOM 702 N ASP A 48 -2.409 -10.849 -0.402 1.00 0.00 N ATOM 703 CA ASP A 48 -3.352 -9.844 0.075 1.00 0.00 C ATOM 704 C ASP A 48 -2.617 -8.617 0.604 1.00 0.00 C ATOM 705 O ASP A 48 -3.139 -7.503 0.565 1.00 0.00 O ATOM 706 CB ASP A 48 -4.246 -10.430 1.169 1.00 0.00 C ATOM 707 CG ASP A 48 -5.357 -11.295 0.608 1.00 0.00 C ATOM 708 OD1 ASP A 48 -5.075 -12.450 0.227 1.00 0.00 O ATOM 709 OD2 ASP A 48 -6.509 -10.816 0.548 1.00 0.00 O ATOM 0 H ASP A 48 -2.409 -11.716 0.136 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.974 -9.538 -0.766 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.638 -11.023 1.852 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.681 -9.618 1.752 1.00 0.00 H new ATOM 714 N TRP A 49 -1.403 -8.829 1.100 1.00 0.00 N ATOM 715 CA TRP A 49 -0.596 -7.740 1.638 1.00 0.00 C ATOM 716 C TRP A 49 0.420 -7.256 0.610 1.00 0.00 C ATOM 717 O TRP A 49 0.959 -8.046 -0.165 1.00 0.00 O ATOM 718 CB TRP A 49 0.123 -8.192 2.911 1.00 0.00 C ATOM 719 CG TRP A 49 -0.812 -8.632 3.997 1.00 0.00 C ATOM 720 CD1 TRP A 49 -1.544 -9.785 4.030 1.00 0.00 C ATOM 721 CD2 TRP A 49 -1.116 -7.926 5.204 1.00 0.00 C ATOM 722 NE1 TRP A 49 -2.285 -9.837 5.186 1.00 0.00 N ATOM 723 CE2 TRP A 49 -2.039 -8.709 5.924 1.00 0.00 C ATOM 724 CE3 TRP A 49 -0.696 -6.709 5.749 1.00 0.00 C ATOM 725 CZ2 TRP A 49 -2.549 -8.313 7.157 1.00 0.00 C ATOM 726 CZ3 TRP A 49 -1.204 -6.317 6.973 1.00 0.00 C ATOM 727 CH2 TRP A 49 -2.121 -7.117 7.667 1.00 0.00 C ATOM 0 H TRP A 49 -0.956 -9.745 1.141 1.00 0.00 H new ATOM 0 HA TRP A 49 -1.262 -6.912 1.880 1.00 0.00 H new ATOM 0 HB2 TRP A 49 0.797 -9.013 2.667 1.00 0.00 H new ATOM 0 HB3 TRP A 49 0.739 -7.373 3.282 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.541 -10.543 3.261 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -2.916 -10.593 5.452 1.00 0.00 H new ATOM 0 HE3 TRP A 49 0.013 -6.086 5.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -3.257 -8.928 7.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -0.889 -5.377 7.402 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -2.497 -6.784 8.623 1.00 0.00 H new ATOM 738 N VAL A 50 0.679 -5.952 0.609 1.00 0.00 N ATOM 739 CA VAL A 50 1.632 -5.363 -0.323 1.00 0.00 C ATOM 740 C VAL A 50 2.668 -4.517 0.410 1.00 0.00 C ATOM 741 O VAL A 50 2.469 -4.134 1.563 1.00 0.00 O ATOM 742 CB VAL A 50 0.923 -4.488 -1.373 1.00 0.00 C ATOM 743 CG1 VAL A 50 -0.031 -5.326 -2.211 1.00 0.00 C ATOM 744 CG2 VAL A 50 0.186 -3.340 -0.700 1.00 0.00 C ATOM 0 H VAL A 50 0.242 -5.284 1.244 1.00 0.00 H new ATOM 0 HA VAL A 50 2.133 -6.190 -0.827 1.00 0.00 H new ATOM 0 HB VAL A 50 1.677 -4.066 -2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.523 -4.690 -2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.527 -6.110 -2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.782 -5.779 -1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.309 -2.732 -1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.559 -3.740 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.897 -2.725 -0.149 1.00 0.00 H new ATOM 754 N LYS A 51 3.775 -4.229 -0.266 1.00 0.00 N ATOM 755 CA LYS A 51 4.843 -3.427 0.319 1.00 0.00 C ATOM 756 C LYS A 51 4.765 -1.982 -0.163 1.00 0.00 C ATOM 757 O LYS A 51 4.847 -1.713 -1.361 1.00 0.00 O ATOM 758 CB LYS A 51 6.207 -4.022 -0.035 1.00 0.00 C ATOM 759 CG LYS A 51 7.277 -3.756 1.010 1.00 0.00 C ATOM 760 CD LYS A 51 8.586 -4.441 0.656 1.00 0.00 C ATOM 761 CE LYS A 51 9.398 -4.769 1.899 1.00 0.00 C ATOM 762 NZ LYS A 51 10.378 -5.862 1.649 1.00 0.00 N ATOM 0 H LYS A 51 3.956 -4.539 -1.221 1.00 0.00 H new ATOM 0 HA LYS A 51 4.720 -3.437 1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.101 -5.099 -0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.535 -3.614 -0.991 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.440 -2.682 1.099 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.933 -4.108 1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.380 -5.357 0.102 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.169 -3.796 -0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.927 -3.876 2.233 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.725 -5.062 2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.912 -6.056 2.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.872 -6.721 1.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.036 -5.573 0.897 1.00 0.00 H new ATOM 776 N ALA A 52 4.608 -1.057 0.778 1.00 0.00 N ATOM 777 CA ALA A 52 4.523 0.360 0.449 1.00 0.00 C ATOM 778 C ALA A 52 5.357 1.199 1.412 1.00 0.00 C ATOM 779 O ALA A 52 5.615 0.788 2.543 1.00 0.00 O ATOM 780 CB ALA A 52 3.073 0.820 0.465 1.00 0.00 C ATOM 0 H ALA A 52 4.537 -1.264 1.774 1.00 0.00 H new ATOM 0 HA ALA A 52 4.926 0.499 -0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.025 1.880 0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.502 0.250 -0.268 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.651 0.660 1.457 1.00 0.00 H new ATOM 786 N ARG A 53 5.775 2.375 0.956 1.00 0.00 N ATOM 787 CA ARG A 53 6.581 3.270 1.777 1.00 0.00 C ATOM 788 C ARG A 53 5.847 4.583 2.032 1.00 0.00 C ATOM 789 O ARG A 53 5.454 5.277 1.096 1.00 0.00 O ATOM 790 CB ARG A 53 7.924 3.547 1.099 1.00 0.00 C ATOM 791 CG ARG A 53 8.873 4.381 1.945 1.00 0.00 C ATOM 792 CD ARG A 53 10.187 4.634 1.222 1.00 0.00 C ATOM 793 NE ARG A 53 10.124 5.819 0.371 1.00 0.00 N ATOM 794 CZ ARG A 53 11.149 6.262 -0.349 1.00 0.00 C ATOM 795 NH1 ARG A 53 12.309 5.621 -0.321 1.00 0.00 N ATOM 796 NH2 ARG A 53 11.014 7.347 -1.100 1.00 0.00 N ATOM 0 H ARG A 53 5.569 2.730 0.022 1.00 0.00 H new ATOM 0 HA ARG A 53 6.759 2.782 2.735 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.403 2.598 0.860 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.745 4.061 0.155 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.402 5.333 2.191 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.068 3.869 2.887 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.986 4.755 1.954 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.440 3.765 0.615 1.00 0.00 H new ATOM 0 HE ARG A 53 9.245 6.335 0.327 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.416 4.786 0.254 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.094 5.963 -0.875 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.123 7.842 -1.125 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.802 7.686 -1.652 1.00 0.00 H new ATOM 810 N ASN A 54 5.667 4.916 3.306 1.00 0.00 N ATOM 811 CA ASN A 54 4.979 6.145 3.684 1.00 0.00 C ATOM 812 C ASN A 54 5.899 7.353 3.530 1.00 0.00 C ATOM 813 O ASN A 54 7.046 7.223 3.103 1.00 0.00 O ATOM 814 CB ASN A 54 4.480 6.052 5.127 1.00 0.00 C ATOM 815 CG ASN A 54 5.407 5.238 6.008 1.00 0.00 C ATOM 816 OD1 ASN A 54 6.542 4.946 5.631 1.00 0.00 O ATOM 817 ND2 ASN A 54 4.927 4.867 7.189 1.00 0.00 N ATOM 0 H ASN A 54 5.988 4.353 4.093 1.00 0.00 H new ATOM 0 HA ASN A 54 4.125 6.273 3.019 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.380 7.056 5.539 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.487 5.603 5.137 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.505 4.318 7.825 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.980 5.131 7.461 1.00 0.00 H new ATOM 824 N LYS A 55 5.387 8.528 3.880 1.00 0.00 N ATOM 825 CA LYS A 55 6.161 9.760 3.783 1.00 0.00 C ATOM 826 C LYS A 55 7.378 9.711 4.701 1.00 0.00 C ATOM 827 O LYS A 55 8.408 10.323 4.417 1.00 0.00 O ATOM 828 CB LYS A 55 5.288 10.965 4.140 1.00 0.00 C ATOM 829 CG LYS A 55 5.032 11.111 5.630 1.00 0.00 C ATOM 830 CD LYS A 55 6.133 11.908 6.309 1.00 0.00 C ATOM 831 CE LYS A 55 5.632 12.582 7.577 1.00 0.00 C ATOM 832 NZ LYS A 55 6.366 13.846 7.860 1.00 0.00 N ATOM 0 H LYS A 55 4.439 8.653 4.234 1.00 0.00 H new ATOM 0 HA LYS A 55 6.507 9.862 2.754 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.767 11.872 3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.333 10.877 3.623 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.073 11.605 5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.962 10.124 6.087 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.965 11.247 6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.515 12.662 5.621 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.567 12.794 7.479 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.745 11.900 8.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.995 14.275 8.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.379 13.640 7.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.238 14.507 7.067 1.00 0.00 H new ATOM 846 N VAL A 56 7.254 8.978 5.803 1.00 0.00 N ATOM 847 CA VAL A 56 8.345 8.847 6.761 1.00 0.00 C ATOM 848 C VAL A 56 9.466 7.978 6.203 1.00 0.00 C ATOM 849 O VAL A 56 10.616 8.084 6.625 1.00 0.00 O ATOM 850 CB VAL A 56 7.854 8.242 8.091 1.00 0.00 C ATOM 851 CG1 VAL A 56 6.931 9.213 8.811 1.00 0.00 C ATOM 852 CG2 VAL A 56 7.158 6.913 7.845 1.00 0.00 C ATOM 0 H VAL A 56 6.409 8.466 6.054 1.00 0.00 H new ATOM 0 HA VAL A 56 8.726 9.851 6.946 1.00 0.00 H new ATOM 0 HB VAL A 56 8.718 8.060 8.730 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.595 8.769 9.748 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.468 10.138 9.021 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.068 9.429 8.181 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.818 6.499 8.794 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.302 7.067 7.188 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.855 6.219 7.376 1.00 0.00 H new ATOM 862 N GLY A 57 9.121 7.117 5.250 1.00 0.00 N ATOM 863 CA GLY A 57 10.110 6.242 4.648 1.00 0.00 C ATOM 864 C GLY A 57 9.986 4.810 5.130 1.00 0.00 C ATOM 865 O GLY A 57 10.603 3.905 4.570 1.00 0.00 O ATOM 0 H GLY A 57 8.175 7.010 4.884 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.002 6.268 3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.108 6.614 4.878 1.00 0.00 H new ATOM 869 N GLN A 58 9.189 4.605 6.173 1.00 0.00 N ATOM 870 CA GLN A 58 8.989 3.273 6.732 1.00 0.00 C ATOM 871 C GLN A 58 8.323 2.351 5.716 1.00 0.00 C ATOM 872 O GLN A 58 7.316 2.707 5.105 1.00 0.00 O ATOM 873 CB GLN A 58 8.138 3.351 8.001 1.00 0.00 C ATOM 874 CG GLN A 58 8.947 3.615 9.260 1.00 0.00 C ATOM 875 CD GLN A 58 8.099 3.583 10.516 1.00 0.00 C ATOM 876 OE1 GLN A 58 7.080 2.895 10.574 1.00 0.00 O ATOM 877 NE2 GLN A 58 8.517 4.330 11.532 1.00 0.00 N ATOM 0 H GLN A 58 8.671 5.344 6.648 1.00 0.00 H new ATOM 0 HA GLN A 58 9.967 2.862 6.983 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.396 4.141 7.883 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.591 2.416 8.120 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.738 2.870 9.342 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.432 4.588 9.178 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.368 4.885 11.441 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.987 4.348 12.403 1.00 0.00 H new ATOM 886 N VAL A 59 8.894 1.163 5.539 1.00 0.00 N ATOM 887 CA VAL A 59 8.356 0.189 4.597 1.00 0.00 C ATOM 888 C VAL A 59 7.839 -1.049 5.322 1.00 0.00 C ATOM 889 O VAL A 59 8.588 -1.731 6.019 1.00 0.00 O ATOM 890 CB VAL A 59 9.416 -0.239 3.565 1.00 0.00 C ATOM 891 CG1 VAL A 59 8.771 -1.016 2.428 1.00 0.00 C ATOM 892 CG2 VAL A 59 10.163 0.976 3.035 1.00 0.00 C ATOM 0 H VAL A 59 9.729 0.852 6.036 1.00 0.00 H new ATOM 0 HA VAL A 59 7.530 0.674 4.078 1.00 0.00 H new ATOM 0 HB VAL A 59 10.135 -0.893 4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.535 -1.310 1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.285 -1.907 2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.029 -0.389 1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.908 0.656 2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.458 1.657 2.557 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.658 1.487 3.860 1.00 0.00 H new ATOM 902 N GLY A 60 6.551 -1.334 5.151 1.00 0.00 N ATOM 903 CA GLY A 60 5.956 -2.490 5.795 1.00 0.00 C ATOM 904 C GLY A 60 4.830 -3.092 4.978 1.00 0.00 C ATOM 905 O GLY A 60 4.466 -2.566 3.926 1.00 0.00 O ATOM 0 H GLY A 60 5.910 -0.785 4.578 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.724 -3.245 5.961 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.576 -2.201 6.775 1.00 0.00 H new ATOM 909 N TYR A 61 4.277 -4.199 5.462 1.00 0.00 N ATOM 910 CA TYR A 61 3.188 -4.876 4.767 1.00 0.00 C ATOM 911 C TYR A 61 1.838 -4.292 5.171 1.00 0.00 C ATOM 912 O TYR A 61 1.568 -4.079 6.354 1.00 0.00 O ATOM 913 CB TYR A 61 3.218 -6.375 5.068 1.00 0.00 C ATOM 914 CG TYR A 61 4.512 -7.047 4.669 1.00 0.00 C ATOM 915 CD1 TYR A 61 5.080 -6.820 3.421 1.00 0.00 C ATOM 916 CD2 TYR A 61 5.168 -7.908 5.540 1.00 0.00 C ATOM 917 CE1 TYR A 61 6.262 -7.432 3.052 1.00 0.00 C ATOM 918 CE2 TYR A 61 6.352 -8.523 5.180 1.00 0.00 C ATOM 919 CZ TYR A 61 6.894 -8.283 3.935 1.00 0.00 C ATOM 920 OH TYR A 61 8.073 -8.893 3.572 1.00 0.00 O ATOM 0 H TYR A 61 4.565 -4.646 6.332 1.00 0.00 H new ATOM 0 HA TYR A 61 3.324 -4.724 3.696 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.054 -6.526 6.135 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.392 -6.858 4.547 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.589 -6.153 2.728 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.745 -8.100 6.515 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.689 -7.245 2.078 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.850 -9.188 5.870 1.00 0.00 H new ATOM 0 HH TYR A 61 8.086 -9.029 2.602 1.00 0.00 H new ATOM 930 N VAL A 62 0.991 -4.034 4.180 1.00 0.00 N ATOM 931 CA VAL A 62 -0.333 -3.477 4.430 1.00 0.00 C ATOM 932 C VAL A 62 -1.382 -4.128 3.536 1.00 0.00 C ATOM 933 O VAL A 62 -1.097 -4.567 2.421 1.00 0.00 O ATOM 934 CB VAL A 62 -0.353 -1.954 4.200 1.00 0.00 C ATOM 935 CG1 VAL A 62 0.636 -1.261 5.125 1.00 0.00 C ATOM 936 CG2 VAL A 62 -0.050 -1.631 2.744 1.00 0.00 C ATOM 0 H VAL A 62 1.198 -4.202 3.196 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.571 -3.684 5.473 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.351 -1.582 4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.608 -0.186 4.948 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.369 -1.465 6.162 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.641 -1.635 4.929 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.068 -0.551 2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.936 -2.015 2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.801 -2.095 2.104 1.00 0.00 H new ATOM 946 N PRO A 63 -2.625 -4.194 4.034 1.00 0.00 N ATOM 947 CA PRO A 63 -3.743 -4.790 3.296 1.00 0.00 C ATOM 948 C PRO A 63 -4.162 -3.945 2.097 1.00 0.00 C ATOM 949 O PRO A 63 -4.504 -2.772 2.243 1.00 0.00 O ATOM 950 CB PRO A 63 -4.867 -4.840 4.334 1.00 0.00 C ATOM 951 CG PRO A 63 -4.538 -3.756 5.301 1.00 0.00 C ATOM 952 CD PRO A 63 -3.036 -3.691 5.355 1.00 0.00 C ATOM 0 HA PRO A 63 -3.484 -5.764 2.881 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.840 -4.676 3.872 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.908 -5.811 4.827 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.958 -2.804 4.978 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.955 -3.971 6.285 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.684 -2.674 5.525 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.636 -4.306 6.161 1.00 0.00 H new ATOM 960 N GLU A 64 -4.134 -4.550 0.914 1.00 0.00 N ATOM 961 CA GLU A 64 -4.511 -3.852 -0.309 1.00 0.00 C ATOM 962 C GLU A 64 -6.008 -3.555 -0.327 1.00 0.00 C ATOM 963 O GLU A 64 -6.439 -2.506 -0.807 1.00 0.00 O ATOM 964 CB GLU A 64 -4.131 -4.684 -1.536 1.00 0.00 C ATOM 965 CG GLU A 64 -3.847 -3.849 -2.773 1.00 0.00 C ATOM 966 CD GLU A 64 -4.051 -4.625 -4.060 1.00 0.00 C ATOM 967 OE1 GLU A 64 -3.505 -5.742 -4.172 1.00 0.00 O ATOM 968 OE2 GLU A 64 -4.757 -4.115 -4.955 1.00 0.00 O ATOM 0 H GLU A 64 -3.854 -5.521 0.777 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.970 -2.906 -0.338 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.250 -5.281 -1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.939 -5.381 -1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.497 -2.974 -2.774 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.821 -3.483 -2.732 1.00 0.00 H new ATOM 975 N LYS A 65 -6.796 -4.486 0.200 1.00 0.00 N ATOM 976 CA LYS A 65 -8.245 -4.326 0.246 1.00 0.00 C ATOM 977 C LYS A 65 -8.623 -2.902 0.641 1.00 0.00 C ATOM 978 O LYS A 65 -9.558 -2.322 0.090 1.00 0.00 O ATOM 979 CB LYS A 65 -8.857 -5.321 1.236 1.00 0.00 C ATOM 980 CG LYS A 65 -8.182 -5.318 2.597 1.00 0.00 C ATOM 981 CD LYS A 65 -8.586 -6.528 3.422 1.00 0.00 C ATOM 982 CE LYS A 65 -9.948 -6.331 4.070 1.00 0.00 C ATOM 983 NZ LYS A 65 -9.904 -5.314 5.156 1.00 0.00 N ATOM 0 H LYS A 65 -6.456 -5.360 0.601 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.639 -4.524 -0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.915 -5.090 1.364 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.799 -6.324 0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.100 -5.310 2.467 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.446 -4.406 3.133 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.609 -7.412 2.785 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.838 -6.710 4.193 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.669 -6.023 3.313 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.298 -7.280 4.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.410 -5.675 5.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.914 -5.119 5.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.357 -4.437 4.829 1.00 0.00 H new ATOM 997 N TYR A 66 -7.889 -2.344 1.598 1.00 0.00 N ATOM 998 CA TYR A 66 -8.148 -0.988 2.067 1.00 0.00 C ATOM 999 C TYR A 66 -7.480 0.039 1.158 1.00 0.00 C ATOM 1000 O TYR A 66 -7.944 1.174 1.037 1.00 0.00 O ATOM 1001 CB TYR A 66 -7.647 -0.818 3.502 1.00 0.00 C ATOM 1002 CG TYR A 66 -8.498 -1.531 4.529 1.00 0.00 C ATOM 1003 CD1 TYR A 66 -9.885 -1.462 4.478 1.00 0.00 C ATOM 1004 CD2 TYR A 66 -7.916 -2.271 5.550 1.00 0.00 C ATOM 1005 CE1 TYR A 66 -10.667 -2.111 5.414 1.00 0.00 C ATOM 1006 CE2 TYR A 66 -8.690 -2.924 6.489 1.00 0.00 C ATOM 1007 CZ TYR A 66 -10.065 -2.841 6.417 1.00 0.00 C ATOM 1008 OH TYR A 66 -10.839 -3.489 7.352 1.00 0.00 O ATOM 0 H TYR A 66 -7.110 -2.810 2.064 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.225 -0.822 2.043 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.625 -1.191 3.568 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -7.615 0.244 3.743 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -10.360 -0.891 3.693 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.840 -2.337 5.611 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -11.744 -2.047 5.360 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.221 -3.497 7.276 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.259 -3.958 7.988 1.00 0.00 H new ATOM 1018 N LEU A 67 -6.387 -0.366 0.521 1.00 0.00 N ATOM 1019 CA LEU A 67 -5.654 0.518 -0.379 1.00 0.00 C ATOM 1020 C LEU A 67 -6.518 0.923 -1.568 1.00 0.00 C ATOM 1021 O LEU A 67 -7.240 0.101 -2.131 1.00 0.00 O ATOM 1022 CB LEU A 67 -4.378 -0.167 -0.871 1.00 0.00 C ATOM 1023 CG LEU A 67 -3.210 -0.200 0.116 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -1.983 -0.826 -0.529 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -2.895 1.203 0.616 1.00 0.00 C ATOM 0 H LEU A 67 -5.989 -1.301 0.611 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.386 1.418 0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.623 -1.193 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.046 0.337 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.498 -0.813 0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.162 -0.841 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.214 -1.846 -0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.692 -0.241 -1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.062 1.161 1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.627 1.838 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.770 1.616 1.117 1.00 0.00 H new ATOM 1037 N GLN A 68 -6.437 2.195 -1.946 1.00 0.00 N ATOM 1038 CA GLN A 68 -7.211 2.708 -3.070 1.00 0.00 C ATOM 1039 C GLN A 68 -6.342 2.832 -4.318 1.00 0.00 C ATOM 1040 O GLN A 68 -5.783 3.894 -4.594 1.00 0.00 O ATOM 1041 CB GLN A 68 -7.818 4.067 -2.720 1.00 0.00 C ATOM 1042 CG GLN A 68 -8.817 4.571 -3.750 1.00 0.00 C ATOM 1043 CD GLN A 68 -10.132 3.818 -3.704 1.00 0.00 C ATOM 1044 OE1 GLN A 68 -10.204 2.647 -4.076 1.00 0.00 O ATOM 1045 NE2 GLN A 68 -11.183 4.489 -3.245 1.00 0.00 N ATOM 0 H GLN A 68 -5.844 2.888 -1.491 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.015 2.002 -3.278 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.312 3.996 -1.751 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.016 4.798 -2.616 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.004 5.631 -3.581 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.384 4.478 -4.746 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.078 5.459 -2.947 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.094 4.034 -3.191 1.00 0.00 H new ATOM 1054 N PHE A 69 -6.232 1.741 -5.068 1.00 0.00 N ATOM 1055 CA PHE A 69 -5.430 1.727 -6.285 1.00 0.00 C ATOM 1056 C PHE A 69 -6.027 2.655 -7.340 1.00 0.00 C ATOM 1057 O PHE A 69 -7.210 2.992 -7.309 1.00 0.00 O ATOM 1058 CB PHE A 69 -5.329 0.305 -6.839 1.00 0.00 C ATOM 1059 CG PHE A 69 -4.236 -0.509 -6.208 1.00 0.00 C ATOM 1060 CD1 PHE A 69 -3.850 -0.276 -4.897 1.00 0.00 C ATOM 1061 CD2 PHE A 69 -3.593 -1.505 -6.925 1.00 0.00 C ATOM 1062 CE1 PHE A 69 -2.845 -1.023 -4.313 1.00 0.00 C ATOM 1063 CE2 PHE A 69 -2.588 -2.256 -6.346 1.00 0.00 C ATOM 1064 CZ PHE A 69 -2.212 -2.014 -5.039 1.00 0.00 C ATOM 0 H PHE A 69 -6.689 0.854 -4.854 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.431 2.084 -6.036 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.282 -0.203 -6.689 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.159 0.354 -7.915 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.340 0.498 -4.326 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.881 -1.697 -7.948 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.554 -0.833 -3.290 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.097 -3.032 -6.915 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.425 -2.598 -4.585 1.00 0.00 H new ATOM 1074 N PRO A 70 -5.188 3.079 -8.297 1.00 0.00 N ATOM 1075 CA PRO A 70 -5.609 3.973 -9.380 1.00 0.00 C ATOM 1076 C PRO A 70 -6.545 3.286 -10.368 1.00 0.00 C ATOM 1077 O PRO A 70 -7.544 3.864 -10.798 1.00 0.00 O ATOM 1078 CB PRO A 70 -4.292 4.348 -10.063 1.00 0.00 C ATOM 1079 CG PRO A 70 -3.372 3.215 -9.760 1.00 0.00 C ATOM 1080 CD PRO A 70 -3.764 2.717 -8.396 1.00 0.00 C ATOM 0 HA PRO A 70 -6.170 4.830 -9.006 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.425 4.473 -11.138 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.901 5.290 -9.678 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.466 2.426 -10.506 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.332 3.542 -9.772 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.615 1.641 -8.303 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -3.174 3.189 -7.611 1.00 0.00 H new ATOM 1088 N THR A 71 -6.217 2.048 -10.724 1.00 0.00 N ATOM 1089 CA THR A 71 -7.029 1.282 -11.662 1.00 0.00 C ATOM 1090 C THR A 71 -8.484 1.226 -11.212 1.00 0.00 C ATOM 1091 O THR A 71 -8.880 0.329 -10.468 1.00 0.00 O ATOM 1092 CB THR A 71 -6.497 -0.155 -11.822 1.00 0.00 C ATOM 1093 OG1 THR A 71 -7.517 -0.996 -12.372 1.00 0.00 O ATOM 1094 CG2 THR A 71 -6.038 -0.714 -10.484 1.00 0.00 C ATOM 0 H THR A 71 -5.395 1.554 -10.377 1.00 0.00 H new ATOM 0 HA THR A 71 -6.969 1.793 -12.623 1.00 0.00 H new ATOM 0 HB THR A 71 -5.643 -0.130 -12.499 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.222 -1.134 -11.705 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.667 -1.729 -10.622 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.242 -0.088 -10.082 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.877 -0.726 -9.788 1.00 0.00 H new ATOM 1102 N SER A 72 -9.277 2.190 -11.668 1.00 0.00 N ATOM 1103 CA SER A 72 -10.689 2.252 -11.310 1.00 0.00 C ATOM 1104 C SER A 72 -11.564 1.772 -12.463 1.00 0.00 C ATOM 1105 O SER A 72 -11.064 1.418 -13.531 1.00 0.00 O ATOM 1106 CB SER A 72 -11.077 3.680 -10.921 1.00 0.00 C ATOM 1107 OG SER A 72 -12.385 3.724 -10.379 1.00 0.00 O ATOM 0 H SER A 72 -8.966 2.939 -12.286 1.00 0.00 H new ATOM 0 HA SER A 72 -10.850 1.594 -10.456 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.365 4.068 -10.192 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.021 4.327 -11.797 1.00 0.00 H new ATOM 0 HG SER A 72 -12.608 4.647 -10.137 1.00 0.00 H new ATOM 1113 N SER A 73 -12.874 1.762 -12.240 1.00 0.00 N ATOM 1114 CA SER A 73 -13.820 1.321 -13.258 1.00 0.00 C ATOM 1115 C SER A 73 -14.615 2.502 -13.808 1.00 0.00 C ATOM 1116 O SER A 73 -14.615 2.758 -15.011 1.00 0.00 O ATOM 1117 CB SER A 73 -14.775 0.275 -12.680 1.00 0.00 C ATOM 1118 OG SER A 73 -14.067 -0.871 -12.237 1.00 0.00 O ATOM 0 H SER A 73 -13.305 2.054 -11.363 1.00 0.00 H new ATOM 0 HA SER A 73 -13.254 0.873 -14.075 1.00 0.00 H new ATOM 0 HB2 SER A 73 -15.332 0.706 -11.848 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.504 -0.014 -13.437 1.00 0.00 H new ATOM 0 HG SER A 73 -14.699 -1.524 -11.870 1.00 0.00 H new ATOM 1124 N GLY A 74 -15.293 3.218 -12.916 1.00 0.00 N ATOM 1125 CA GLY A 74 -16.083 4.363 -13.330 1.00 0.00 C ATOM 1126 C GLY A 74 -17.522 3.994 -13.636 1.00 0.00 C ATOM 1127 O GLY A 74 -17.948 2.856 -13.442 1.00 0.00 O ATOM 0 H GLY A 74 -15.309 3.026 -11.914 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -16.064 5.117 -12.543 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -15.630 4.812 -14.214 1.00 0.00 H new ATOM 1131 N PRO A 75 -18.296 4.974 -14.125 1.00 0.00 N ATOM 1132 CA PRO A 75 -19.707 4.771 -14.467 1.00 0.00 C ATOM 1133 C PRO A 75 -19.884 3.885 -15.695 1.00 0.00 C ATOM 1134 O PRO A 75 -18.907 3.435 -16.294 1.00 0.00 O ATOM 1135 CB PRO A 75 -20.210 6.188 -14.754 1.00 0.00 C ATOM 1136 CG PRO A 75 -18.995 6.946 -15.164 1.00 0.00 C ATOM 1137 CD PRO A 75 -17.855 6.355 -14.381 1.00 0.00 C ATOM 0 HA PRO A 75 -20.250 4.264 -13.670 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -20.962 6.189 -15.543 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -20.673 6.630 -13.872 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -18.821 6.854 -16.236 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -19.107 8.009 -14.949 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -16.923 6.381 -14.946 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -17.680 6.899 -13.453 1.00 0.00 H new ATOM 1145 N SER A 76 -21.137 3.638 -16.066 1.00 0.00 N ATOM 1146 CA SER A 76 -21.441 2.803 -17.222 1.00 0.00 C ATOM 1147 C SER A 76 -21.446 3.629 -18.504 1.00 0.00 C ATOM 1148 O SER A 76 -21.573 4.853 -18.466 1.00 0.00 O ATOM 1149 CB SER A 76 -22.797 2.117 -17.039 1.00 0.00 C ATOM 1150 OG SER A 76 -22.790 1.270 -15.903 1.00 0.00 O ATOM 0 H SER A 76 -21.957 4.004 -15.583 1.00 0.00 H new ATOM 0 HA SER A 76 -20.664 2.043 -17.304 1.00 0.00 H new ATOM 0 HB2 SER A 76 -23.577 2.870 -16.930 1.00 0.00 H new ATOM 0 HB3 SER A 76 -23.037 1.535 -17.929 1.00 0.00 H new ATOM 0 HG SER A 76 -23.668 0.845 -15.807 1.00 0.00 H new ATOM 1156 N SER A 77 -21.305 2.951 -19.638 1.00 0.00 N ATOM 1157 CA SER A 77 -21.288 3.622 -20.933 1.00 0.00 C ATOM 1158 C SER A 77 -22.368 4.698 -21.001 1.00 0.00 C ATOM 1159 O SER A 77 -23.561 4.401 -20.949 1.00 0.00 O ATOM 1160 CB SER A 77 -21.492 2.607 -22.060 1.00 0.00 C ATOM 1161 OG SER A 77 -21.083 3.141 -23.307 1.00 0.00 O ATOM 0 H SER A 77 -21.201 1.938 -19.687 1.00 0.00 H new ATOM 0 HA SER A 77 -20.315 4.099 -21.055 1.00 0.00 H new ATOM 0 HB2 SER A 77 -20.925 1.701 -21.845 1.00 0.00 H new ATOM 0 HB3 SER A 77 -22.543 2.321 -22.110 1.00 0.00 H new ATOM 0 HG SER A 77 -21.222 2.473 -24.010 1.00 0.00 H new ATOM 1167 N GLY A 78 -21.939 5.951 -21.118 1.00 0.00 N ATOM 1168 CA GLY A 78 -22.881 7.053 -21.192 1.00 0.00 C ATOM 1169 C GLY A 78 -23.539 7.343 -19.857 1.00 0.00 C ATOM 1170 O GLY A 78 -24.740 7.135 -19.692 1.00 0.00 O ATOM 0 H GLY A 78 -20.957 6.223 -21.163 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -22.363 7.947 -21.540 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -23.649 6.822 -21.930 1.00 0.00 H new TER 1174 GLY A 78