USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 hydrogens (9 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 25 GLN : amide:sc= -2.6! C(o=-5!,f=-5!) USER MOD Set 1.2: A 68 GLN : amide:sc= -2.43! C(o=-5!,f=-8.8!) USER MOD Set 2.1: A 30 SER OG : rot 108:sc= 0.464 USER MOD Set 2.2: A 72 THR OG1 : rot 80:sc= -0.331! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 110:sc= -0.188 USER MOD Single : A 7 SER OG : rot 17:sc= 0.339 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 172:sc= 0.00847 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= -2.28! USER MOD Single : A 19 GLN : amide:sc= -16.6! C(o=-17!,f=-21!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 89:sc= -0.632 USER MOD Single : A 35 SER OG : rot 180:sc= 0.00158 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 170:sc= 0.58 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 155:sc= -0.0208 (180deg=-0.775) USER MOD Single : A 58 SER OG : rot 161:sc= -2.81! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 142:sc= -0.112 (180deg=-0.953) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -2.06 K(o=-2.1,f=-2.9) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.736 -2.925 -6.508 1.00 0.00 N ATOM 2 CA GLY A 1 -25.155 -2.141 -7.705 1.00 0.00 C ATOM 3 C GLY A 1 -25.377 -3.089 -8.886 1.00 0.00 C ATOM 4 O GLY A 1 -24.448 -3.678 -9.404 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.585 -2.280 -5.706 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.478 -3.612 -6.265 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.851 -3.431 -6.716 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.071 -1.591 -7.490 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.392 -1.404 -7.955 1.00 0.00 H new ATOM 7 N ASP A 2 -26.599 -3.240 -9.316 1.00 0.00 N ATOM 8 CA ASP A 2 -26.878 -4.151 -10.464 1.00 0.00 C ATOM 9 C ASP A 2 -27.048 -3.340 -11.752 1.00 0.00 C ATOM 10 O ASP A 2 -26.085 -2.976 -12.399 1.00 0.00 O ATOM 11 CB ASP A 2 -28.180 -4.864 -10.098 1.00 0.00 C ATOM 12 CG ASP A 2 -27.888 -5.978 -9.092 1.00 0.00 C ATOM 13 OD1 ASP A 2 -27.025 -5.780 -8.253 1.00 0.00 O ATOM 14 OD2 ASP A 2 -28.533 -7.010 -9.176 1.00 0.00 O ATOM 0 H ASP A 2 -27.416 -2.773 -8.923 1.00 0.00 H new ATOM 0 HA ASP A 2 -26.066 -4.857 -10.640 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -28.889 -4.153 -9.674 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -28.643 -5.280 -10.993 1.00 0.00 H new ATOM 19 N THR A 3 -28.264 -3.051 -12.131 1.00 0.00 N ATOM 20 CA THR A 3 -28.491 -2.263 -13.378 1.00 0.00 C ATOM 21 C THR A 3 -27.993 -3.046 -14.596 1.00 0.00 C ATOM 22 O THR A 3 -28.769 -3.508 -15.409 1.00 0.00 O ATOM 23 CB THR A 3 -27.675 -0.983 -13.190 1.00 0.00 C ATOM 24 OG1 THR A 3 -27.755 -0.567 -11.834 1.00 0.00 O ATOM 25 CG2 THR A 3 -28.233 0.117 -14.096 1.00 0.00 C ATOM 0 H THR A 3 -29.110 -3.326 -11.632 1.00 0.00 H new ATOM 0 HA THR A 3 -29.547 -2.052 -13.548 1.00 0.00 H new ATOM 0 HB THR A 3 -26.634 -1.174 -13.451 1.00 0.00 H new ATOM 0 HG1 THR A 3 -26.887 -0.700 -11.399 1.00 0.00 H new ATOM 0 HG21 THR A 3 -27.651 1.029 -13.962 1.00 0.00 H new ATOM 0 HG22 THR A 3 -28.172 -0.203 -15.136 1.00 0.00 H new ATOM 0 HG23 THR A 3 -29.274 0.309 -13.836 1.00 0.00 H new ATOM 33 N LEU A 4 -26.703 -3.200 -14.729 1.00 0.00 N ATOM 34 CA LEU A 4 -26.159 -3.954 -15.895 1.00 0.00 C ATOM 35 C LEU A 4 -25.377 -5.178 -15.413 1.00 0.00 C ATOM 36 O LEU A 4 -24.990 -5.268 -14.265 1.00 0.00 O ATOM 37 CB LEU A 4 -25.229 -2.969 -16.604 1.00 0.00 C ATOM 38 CG LEU A 4 -26.061 -1.958 -17.394 1.00 0.00 C ATOM 39 CD1 LEU A 4 -25.870 -0.563 -16.798 1.00 0.00 C ATOM 40 CD2 LEU A 4 -25.607 -1.954 -18.854 1.00 0.00 C ATOM 0 H LEU A 4 -26.003 -2.837 -14.082 1.00 0.00 H new ATOM 0 HA LEU A 4 -26.946 -4.319 -16.555 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -24.606 -2.452 -15.874 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -24.557 -3.505 -17.274 1.00 0.00 H new ATOM 0 HG LEU A 4 -27.114 -2.235 -17.341 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -26.463 0.158 -17.361 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -26.193 -0.565 -15.757 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -24.817 -0.286 -16.850 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -26.200 -1.233 -19.417 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -24.554 -1.678 -18.907 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -25.743 -2.948 -19.280 1.00 0.00 H new ATOM 52 N GLY A 5 -25.141 -6.123 -16.283 1.00 0.00 N ATOM 53 CA GLY A 5 -24.384 -7.340 -15.874 1.00 0.00 C ATOM 54 C GLY A 5 -23.053 -6.925 -15.243 1.00 0.00 C ATOM 55 O GLY A 5 -22.238 -6.271 -15.863 1.00 0.00 O ATOM 0 H GLY A 5 -25.440 -6.104 -17.258 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -24.969 -7.924 -15.163 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -24.205 -7.978 -16.739 1.00 0.00 H new ATOM 59 N ALA A 6 -22.826 -7.301 -14.013 1.00 0.00 N ATOM 60 CA ALA A 6 -21.547 -6.927 -13.345 1.00 0.00 C ATOM 61 C ALA A 6 -21.566 -7.372 -11.879 1.00 0.00 C ATOM 62 O ALA A 6 -22.491 -7.083 -11.145 1.00 0.00 O ATOM 63 CB ALA A 6 -21.480 -5.403 -13.442 1.00 0.00 C ATOM 0 H ALA A 6 -23.470 -7.850 -13.443 1.00 0.00 H new ATOM 0 HA ALA A 6 -20.684 -7.403 -13.810 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -20.563 -5.048 -12.971 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -21.488 -5.104 -14.490 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -22.341 -4.968 -12.934 1.00 0.00 H new ATOM 69 N SER A 7 -20.554 -8.073 -11.449 1.00 0.00 N ATOM 70 CA SER A 7 -20.515 -8.536 -10.032 1.00 0.00 C ATOM 71 C SER A 7 -19.066 -8.612 -9.541 1.00 0.00 C ATOM 72 O SER A 7 -18.527 -7.660 -9.013 1.00 0.00 O ATOM 73 CB SER A 7 -21.147 -9.926 -10.052 1.00 0.00 C ATOM 74 OG SER A 7 -22.563 -9.797 -10.022 1.00 0.00 O ATOM 0 H SER A 7 -19.752 -8.346 -12.017 1.00 0.00 H new ATOM 0 HA SER A 7 -21.043 -7.858 -9.361 1.00 0.00 H new ATOM 0 HB2 SER A 7 -20.838 -10.466 -10.947 1.00 0.00 H new ATOM 0 HB3 SER A 7 -20.805 -10.506 -9.195 1.00 0.00 H new ATOM 0 HG SER A 7 -22.813 -8.880 -10.261 1.00 0.00 H new ATOM 80 N TRP A 8 -18.431 -9.740 -9.715 1.00 0.00 N ATOM 81 CA TRP A 8 -17.017 -9.878 -9.262 1.00 0.00 C ATOM 82 C TRP A 8 -16.177 -10.540 -10.358 1.00 0.00 C ATOM 83 O TRP A 8 -16.634 -10.747 -11.464 1.00 0.00 O ATOM 84 CB TRP A 8 -17.082 -10.772 -8.024 1.00 0.00 C ATOM 85 CG TRP A 8 -17.866 -10.085 -6.951 1.00 0.00 C ATOM 86 CD1 TRP A 8 -17.718 -8.789 -6.589 1.00 0.00 C ATOM 87 CD2 TRP A 8 -18.912 -10.632 -6.098 1.00 0.00 C ATOM 88 NE1 TRP A 8 -18.609 -8.507 -5.568 1.00 0.00 N ATOM 89 CE2 TRP A 8 -19.366 -9.611 -5.231 1.00 0.00 C ATOM 90 CE3 TRP A 8 -19.506 -11.902 -5.995 1.00 0.00 C ATOM 91 CZ2 TRP A 8 -20.374 -9.843 -4.292 1.00 0.00 C ATOM 92 CZ3 TRP A 8 -20.521 -12.139 -5.052 1.00 0.00 C ATOM 93 CH2 TRP A 8 -20.953 -11.111 -4.203 1.00 0.00 C ATOM 0 H TRP A 8 -18.830 -10.571 -10.151 1.00 0.00 H new ATOM 0 HA TRP A 8 -16.556 -8.915 -9.044 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -17.547 -11.725 -8.275 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -16.075 -10.993 -7.669 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -17.020 -8.090 -7.025 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -18.696 -7.595 -5.120 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -19.180 -12.701 -6.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -20.703 -9.048 -3.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -20.970 -13.119 -4.981 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -21.733 -11.299 -3.480 1.00 0.00 H new ATOM 104 N HIS A 9 -14.953 -10.876 -10.058 1.00 0.00 N ATOM 105 CA HIS A 9 -14.087 -11.527 -11.083 1.00 0.00 C ATOM 106 C HIS A 9 -13.297 -12.677 -10.454 1.00 0.00 C ATOM 107 O HIS A 9 -12.113 -12.567 -10.203 1.00 0.00 O ATOM 108 CB HIS A 9 -13.143 -10.424 -11.564 1.00 0.00 C ATOM 109 CG HIS A 9 -13.227 -10.310 -13.061 1.00 0.00 C ATOM 110 ND1 HIS A 9 -14.133 -9.470 -13.689 1.00 0.00 N ATOM 111 CD2 HIS A 9 -12.526 -10.925 -14.069 1.00 0.00 C ATOM 112 CE1 HIS A 9 -13.956 -9.602 -15.017 1.00 0.00 C ATOM 113 NE2 HIS A 9 -12.988 -10.477 -15.303 1.00 0.00 N ATOM 0 H HIS A 9 -14.515 -10.729 -9.149 1.00 0.00 H new ATOM 0 HA HIS A 9 -14.665 -11.952 -11.903 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -13.410 -9.474 -11.101 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.120 -10.649 -11.263 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -11.736 -11.647 -13.926 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -14.527 -9.066 -15.761 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -12.658 -10.757 -16.227 1.00 0.00 H new ATOM 121 N ARG A 10 -13.943 -13.781 -10.196 1.00 0.00 N ATOM 122 CA ARG A 10 -13.231 -14.938 -9.582 1.00 0.00 C ATOM 123 C ARG A 10 -12.382 -14.470 -8.398 1.00 0.00 C ATOM 124 O ARG A 10 -11.243 -14.082 -8.566 1.00 0.00 O ATOM 125 CB ARG A 10 -12.341 -15.492 -10.696 1.00 0.00 C ATOM 126 CG ARG A 10 -13.202 -16.248 -11.710 1.00 0.00 C ATOM 127 CD ARG A 10 -12.828 -17.731 -11.692 1.00 0.00 C ATOM 128 NE ARG A 10 -11.978 -17.926 -12.898 1.00 0.00 N ATOM 129 CZ ARG A 10 -12.202 -18.931 -13.700 1.00 0.00 C ATOM 130 NH1 ARG A 10 -11.876 -20.141 -13.335 1.00 0.00 N ATOM 131 NH2 ARG A 10 -12.755 -18.727 -14.864 1.00 0.00 N ATOM 0 H ARG A 10 -14.934 -13.932 -10.384 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.920 -15.691 -9.199 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.809 -14.678 -11.190 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.587 -16.157 -10.276 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -14.258 -16.125 -11.469 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.053 -15.836 -12.708 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.288 -17.991 -10.782 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -13.716 -18.363 -11.728 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.220 -17.274 -13.098 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.447 -20.301 -12.424 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.051 -20.927 -13.961 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.012 -17.782 -15.148 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.930 -19.513 -15.490 1.00 0.00 H new ATOM 145 N PRO A 11 -12.971 -14.524 -7.236 1.00 0.00 N ATOM 146 CA PRO A 11 -12.265 -14.101 -6.002 1.00 0.00 C ATOM 147 C PRO A 11 -11.200 -15.129 -5.612 1.00 0.00 C ATOM 148 O PRO A 11 -11.184 -15.632 -4.506 1.00 0.00 O ATOM 149 CB PRO A 11 -13.376 -14.043 -4.956 1.00 0.00 C ATOM 150 CG PRO A 11 -14.430 -14.978 -5.459 1.00 0.00 C ATOM 151 CD PRO A 11 -14.338 -14.980 -6.963 1.00 0.00 C ATOM 0 HA PRO A 11 -11.741 -13.152 -6.113 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.012 -14.350 -3.976 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.765 -13.030 -4.849 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -14.276 -15.981 -5.062 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.419 -14.655 -5.134 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -14.516 -15.974 -7.372 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -15.077 -14.315 -7.409 1.00 0.00 H new ATOM 159 N ASP A 12 -10.306 -15.443 -6.511 1.00 0.00 N ATOM 160 CA ASP A 12 -9.242 -16.437 -6.190 1.00 0.00 C ATOM 161 C ASP A 12 -8.027 -15.726 -5.592 1.00 0.00 C ATOM 162 O ASP A 12 -7.334 -16.260 -4.747 1.00 0.00 O ATOM 163 CB ASP A 12 -8.880 -17.079 -7.531 1.00 0.00 C ATOM 164 CG ASP A 12 -8.292 -16.018 -8.463 1.00 0.00 C ATOM 165 OD1 ASP A 12 -8.766 -14.895 -8.425 1.00 0.00 O ATOM 166 OD2 ASP A 12 -7.376 -16.347 -9.199 1.00 0.00 O ATOM 0 H ASP A 12 -10.267 -15.054 -7.453 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.572 -17.177 -5.461 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.160 -17.883 -7.379 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.766 -17.525 -7.983 1.00 0.00 H new ATOM 171 N LYS A 13 -7.766 -14.524 -6.022 1.00 0.00 N ATOM 172 CA LYS A 13 -6.600 -13.769 -5.479 1.00 0.00 C ATOM 173 C LYS A 13 -6.953 -12.287 -5.347 1.00 0.00 C ATOM 174 O LYS A 13 -6.731 -11.502 -6.248 1.00 0.00 O ATOM 175 CB LYS A 13 -5.486 -13.966 -6.508 1.00 0.00 C ATOM 176 CG LYS A 13 -4.200 -13.312 -5.996 1.00 0.00 C ATOM 177 CD LYS A 13 -3.060 -14.332 -6.032 1.00 0.00 C ATOM 178 CE LYS A 13 -1.719 -13.604 -5.901 1.00 0.00 C ATOM 179 NZ LYS A 13 -1.556 -13.350 -4.441 1.00 0.00 N ATOM 0 H LYS A 13 -8.311 -14.029 -6.728 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.304 -14.117 -4.489 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.322 -15.029 -6.683 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.776 -13.527 -7.463 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.949 -12.448 -6.611 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.345 -12.948 -4.979 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.176 -15.052 -5.222 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.091 -14.895 -6.965 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.901 -14.211 -6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.720 -12.672 -6.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.602 -12.977 -4.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.265 -12.656 -4.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.687 -14.239 -3.917 1.00 0.00 H new ATOM 193 N CYS A 14 -7.505 -11.897 -4.231 1.00 0.00 N ATOM 194 CA CYS A 14 -7.876 -10.466 -4.042 1.00 0.00 C ATOM 195 C CYS A 14 -6.651 -9.569 -4.227 1.00 0.00 C ATOM 196 O CYS A 14 -6.521 -8.876 -5.217 1.00 0.00 O ATOM 197 CB CYS A 14 -8.396 -10.378 -2.608 1.00 0.00 C ATOM 198 SG CYS A 14 -10.163 -10.768 -2.586 1.00 0.00 S ATOM 0 H CYS A 14 -7.715 -12.508 -3.441 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.620 -10.135 -4.766 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.851 -11.072 -1.968 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.228 -9.378 -2.209 1.00 0.00 H new ATOM 203 N CYS A 15 -5.757 -9.571 -3.281 1.00 0.00 N ATOM 204 CA CYS A 15 -4.544 -8.714 -3.403 1.00 0.00 C ATOM 205 C CYS A 15 -3.275 -9.541 -3.165 1.00 0.00 C ATOM 206 O CYS A 15 -3.297 -10.754 -3.212 1.00 0.00 O ATOM 207 CB CYS A 15 -4.716 -7.637 -2.325 1.00 0.00 C ATOM 208 SG CYS A 15 -4.343 -8.322 -0.694 1.00 0.00 S ATOM 0 H CYS A 15 -5.812 -10.128 -2.428 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.440 -8.278 -4.397 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -4.056 -6.795 -2.533 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.737 -7.254 -2.342 1.00 0.00 H new ATOM 213 N LEU A 16 -2.169 -8.892 -2.908 1.00 0.00 N ATOM 214 CA LEU A 16 -0.897 -9.639 -2.664 1.00 0.00 C ATOM 215 C LEU A 16 -0.886 -10.217 -1.250 1.00 0.00 C ATOM 216 O LEU A 16 0.154 -10.478 -0.682 1.00 0.00 O ATOM 217 CB LEU A 16 0.206 -8.591 -2.800 1.00 0.00 C ATOM 218 CG LEU A 16 1.285 -9.102 -3.756 1.00 0.00 C ATOM 219 CD1 LEU A 16 2.071 -7.918 -4.323 1.00 0.00 C ATOM 220 CD2 LEU A 16 2.239 -10.028 -2.997 1.00 0.00 C ATOM 0 H LEU A 16 -2.091 -7.876 -2.856 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.772 -10.470 -3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.211 -7.656 -3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.642 -8.379 -1.824 1.00 0.00 H new ATOM 0 HG LEU A 16 0.815 -9.650 -4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.839 -8.284 -5.004 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.393 -7.256 -4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.541 -7.369 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.009 -10.393 -3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.707 -9.478 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.681 -10.873 -2.593 1.00 0.00 H new ATOM 232 N GLY A 17 -2.036 -10.394 -0.671 1.00 0.00 N ATOM 233 CA GLY A 17 -2.094 -10.927 0.717 1.00 0.00 C ATOM 234 C GLY A 17 -1.709 -9.798 1.664 1.00 0.00 C ATOM 235 O GLY A 17 -2.529 -9.288 2.390 1.00 0.00 O ATOM 0 H GLY A 17 -2.940 -10.193 -1.098 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.095 -11.292 0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.413 -11.771 0.831 1.00 0.00 H new ATOM 239 N TYR A 18 -0.462 -9.406 1.630 1.00 0.00 N ATOM 240 CA TYR A 18 0.052 -8.292 2.481 1.00 0.00 C ATOM 241 C TYR A 18 1.548 -8.109 2.220 1.00 0.00 C ATOM 242 O TYR A 18 2.326 -9.036 2.316 1.00 0.00 O ATOM 243 CB TYR A 18 -0.214 -8.698 3.927 1.00 0.00 C ATOM 244 CG TYR A 18 -1.564 -8.163 4.379 1.00 0.00 C ATOM 245 CD1 TYR A 18 -2.414 -7.506 3.473 1.00 0.00 C ATOM 246 CD2 TYR A 18 -1.959 -8.320 5.714 1.00 0.00 C ATOM 247 CE1 TYR A 18 -3.651 -7.014 3.900 1.00 0.00 C ATOM 248 CE2 TYR A 18 -3.200 -7.826 6.140 1.00 0.00 C ATOM 249 CZ TYR A 18 -4.044 -7.173 5.233 1.00 0.00 C ATOM 250 OH TYR A 18 -5.266 -6.687 5.656 1.00 0.00 O ATOM 0 H TYR A 18 0.244 -9.827 1.027 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.436 -7.343 2.260 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.196 -9.784 4.017 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.574 -8.311 4.573 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.111 -7.381 2.444 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.308 -8.821 6.415 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.303 -6.511 3.201 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.505 -7.949 7.169 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.383 -6.882 6.609 1.00 0.00 H new ATOM 260 N GLN A 19 1.946 -6.920 1.871 1.00 0.00 N ATOM 261 CA GLN A 19 3.383 -6.665 1.577 1.00 0.00 C ATOM 262 C GLN A 19 4.262 -7.146 2.733 1.00 0.00 C ATOM 263 O GLN A 19 4.041 -6.814 3.880 1.00 0.00 O ATOM 264 CB GLN A 19 3.486 -5.144 1.394 1.00 0.00 C ATOM 265 CG GLN A 19 4.865 -4.648 1.825 1.00 0.00 C ATOM 266 CD GLN A 19 5.852 -4.823 0.671 1.00 0.00 C ATOM 267 OE1 GLN A 19 6.576 -3.909 0.333 1.00 0.00 O ATOM 268 NE2 GLN A 19 5.918 -5.968 0.053 1.00 0.00 N ATOM 0 H GLN A 19 1.335 -6.109 1.776 1.00 0.00 H new ATOM 0 HA GLN A 19 3.726 -7.201 0.692 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.309 -4.884 0.350 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.714 -4.647 1.982 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.811 -3.599 2.116 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.207 -5.204 2.698 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.310 -6.736 0.337 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.578 -6.096 -0.714 1.00 0.00 H new ATOM 277 N LYS A 20 5.272 -7.913 2.429 1.00 0.00 N ATOM 278 CA LYS A 20 6.186 -8.408 3.496 1.00 0.00 C ATOM 279 C LYS A 20 7.424 -7.513 3.554 1.00 0.00 C ATOM 280 O LYS A 20 7.918 -7.179 4.613 1.00 0.00 O ATOM 281 CB LYS A 20 6.565 -9.828 3.069 1.00 0.00 C ATOM 282 CG LYS A 20 5.994 -10.831 4.071 1.00 0.00 C ATOM 283 CD LYS A 20 7.115 -11.737 4.583 1.00 0.00 C ATOM 284 CE LYS A 20 6.641 -12.480 5.834 1.00 0.00 C ATOM 285 NZ LYS A 20 5.981 -13.717 5.325 1.00 0.00 N ATOM 0 H LYS A 20 5.504 -8.219 1.484 1.00 0.00 H new ATOM 0 HA LYS A 20 5.728 -8.398 4.485 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.178 -10.035 2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.649 -9.926 3.017 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.529 -10.304 4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.215 -11.430 3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.402 -12.450 3.810 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.000 -11.144 4.813 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.478 -12.721 6.490 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.946 -11.872 6.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.630 -14.278 6.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.184 -13.457 4.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.668 -14.279 4.783 1.00 0.00 H new ATOM 299 N ARG A 21 7.916 -7.111 2.415 1.00 0.00 N ATOM 300 CA ARG A 21 9.111 -6.222 2.380 1.00 0.00 C ATOM 301 C ARG A 21 8.683 -4.774 2.589 1.00 0.00 C ATOM 302 O ARG A 21 7.534 -4.429 2.409 1.00 0.00 O ATOM 303 CB ARG A 21 9.702 -6.409 0.982 1.00 0.00 C ATOM 304 CG ARG A 21 11.155 -6.875 1.099 1.00 0.00 C ATOM 305 CD ARG A 21 11.440 -7.931 0.030 1.00 0.00 C ATOM 306 NE ARG A 21 12.646 -7.434 -0.688 1.00 0.00 N ATOM 307 CZ ARG A 21 12.611 -7.266 -1.982 1.00 0.00 C ATOM 308 NH1 ARG A 21 11.869 -8.045 -2.721 1.00 0.00 N ATOM 309 NH2 ARG A 21 13.317 -6.319 -2.537 1.00 0.00 N ATOM 0 H ARG A 21 7.539 -7.362 1.501 1.00 0.00 H new ATOM 0 HA ARG A 21 9.833 -6.461 3.161 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.118 -7.141 0.424 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.653 -5.472 0.427 1.00 0.00 H new ATOM 0 HG2 ARG A 21 11.830 -6.028 0.978 1.00 0.00 H new ATOM 0 HG3 ARG A 21 11.337 -7.288 2.091 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.622 -8.908 0.478 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.595 -8.044 -0.649 1.00 0.00 H new ATOM 0 HE ARG A 21 13.499 -7.225 -0.169 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.317 -8.785 -2.287 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.841 -7.914 -3.732 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.896 -5.710 -1.960 1.00 0.00 H new ATOM 0 HH22 ARG A 21 13.289 -6.188 -3.548 1.00 0.00 H new ATOM 323 N PRO A 22 9.631 -3.976 2.964 1.00 0.00 N ATOM 324 CA PRO A 22 9.365 -2.540 3.201 1.00 0.00 C ATOM 325 C PRO A 22 9.058 -1.822 1.891 1.00 0.00 C ATOM 326 O PRO A 22 9.680 -2.053 0.873 1.00 0.00 O ATOM 327 CB PRO A 22 10.656 -2.034 3.822 1.00 0.00 C ATOM 328 CG PRO A 22 11.706 -2.999 3.368 1.00 0.00 C ATOM 329 CD PRO A 22 11.030 -4.329 3.201 1.00 0.00 C ATOM 0 HA PRO A 22 8.499 -2.366 3.839 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.882 -1.020 3.492 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.587 -2.008 4.910 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.152 -2.671 2.429 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.513 -3.064 4.098 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.449 -4.890 2.366 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.142 -4.950 4.090 1.00 0.00 H new ATOM 337 N LEU A 23 8.088 -0.960 1.918 1.00 0.00 N ATOM 338 CA LEU A 23 7.703 -0.219 0.688 1.00 0.00 C ATOM 339 C LEU A 23 7.598 1.282 0.963 1.00 0.00 C ATOM 340 O LEU A 23 6.940 1.702 1.893 1.00 0.00 O ATOM 341 CB LEU A 23 6.344 -0.789 0.310 1.00 0.00 C ATOM 342 CG LEU A 23 6.502 -1.644 -0.937 1.00 0.00 C ATOM 343 CD1 LEU A 23 5.205 -2.414 -1.203 1.00 0.00 C ATOM 344 CD2 LEU A 23 6.815 -0.739 -2.130 1.00 0.00 C ATOM 0 H LEU A 23 7.539 -0.733 2.747 1.00 0.00 H new ATOM 0 HA LEU A 23 8.440 -0.332 -0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.944 -1.386 1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.634 0.017 0.127 1.00 0.00 H new ATOM 0 HG LEU A 23 7.316 -2.354 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.322 -3.026 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.982 -3.056 -0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.387 -1.709 -1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.929 -1.347 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.999 -0.030 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.740 -0.194 -1.941 1.00 0.00 H new ATOM 356 N PRO A 24 8.254 2.038 0.126 1.00 0.00 N ATOM 357 CA PRO A 24 8.238 3.513 0.257 1.00 0.00 C ATOM 358 C PRO A 24 6.895 4.074 -0.216 1.00 0.00 C ATOM 359 O PRO A 24 5.998 3.340 -0.582 1.00 0.00 O ATOM 360 CB PRO A 24 9.367 3.967 -0.664 1.00 0.00 C ATOM 361 CG PRO A 24 9.510 2.870 -1.672 1.00 0.00 C ATOM 362 CD PRO A 24 9.064 1.592 -1.010 1.00 0.00 C ATOM 0 HA PRO A 24 8.368 3.854 1.284 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.127 4.916 -1.144 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.293 4.116 -0.109 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.904 3.077 -2.554 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.544 2.789 -2.007 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.484 0.971 -1.693 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.915 0.995 -0.682 1.00 0.00 H new ATOM 370 N GLN A 25 6.753 5.368 -0.211 1.00 0.00 N ATOM 371 CA GLN A 25 5.476 5.988 -0.655 1.00 0.00 C ATOM 372 C GLN A 25 5.721 6.925 -1.838 1.00 0.00 C ATOM 373 O GLN A 25 4.970 6.948 -2.791 1.00 0.00 O ATOM 374 CB GLN A 25 4.981 6.773 0.557 1.00 0.00 C ATOM 375 CG GLN A 25 3.645 7.439 0.226 1.00 0.00 C ATOM 376 CD GLN A 25 3.874 8.921 -0.076 1.00 0.00 C ATOM 377 OE1 GLN A 25 4.295 9.670 0.784 1.00 0.00 O ATOM 378 NE2 GLN A 25 3.614 9.379 -1.270 1.00 0.00 N ATOM 0 H GLN A 25 7.473 6.028 0.084 1.00 0.00 H new ATOM 0 HA GLN A 25 4.750 5.246 -0.988 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.865 6.107 1.412 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.715 7.528 0.839 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.185 6.949 -0.632 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.955 7.330 1.063 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.261 8.751 -1.992 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.764 10.365 -1.482 1.00 0.00 H new ATOM 387 N VAL A 26 6.768 7.699 -1.782 1.00 0.00 N ATOM 388 CA VAL A 26 7.060 8.633 -2.899 1.00 0.00 C ATOM 389 C VAL A 26 7.125 7.869 -4.224 1.00 0.00 C ATOM 390 O VAL A 26 7.043 8.446 -5.290 1.00 0.00 O ATOM 391 CB VAL A 26 8.418 9.245 -2.567 1.00 0.00 C ATOM 392 CG1 VAL A 26 8.543 10.575 -3.289 1.00 0.00 C ATOM 393 CG2 VAL A 26 8.539 9.483 -1.058 1.00 0.00 C ATOM 0 H VAL A 26 7.434 7.724 -1.009 1.00 0.00 H new ATOM 0 HA VAL A 26 6.289 9.395 -3.008 1.00 0.00 H new ATOM 0 HB VAL A 26 9.207 8.563 -2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.510 11.024 -3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.463 10.414 -4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.746 11.243 -2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.513 9.920 -0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.753 10.164 -0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.438 8.534 -0.531 1.00 0.00 H new ATOM 403 N LEU A 27 7.271 6.574 -4.165 1.00 0.00 N ATOM 404 CA LEU A 27 7.341 5.773 -5.420 1.00 0.00 C ATOM 405 C LEU A 27 5.936 5.352 -5.859 1.00 0.00 C ATOM 406 O LEU A 27 5.680 5.127 -7.025 1.00 0.00 O ATOM 407 CB LEU A 27 8.181 4.547 -5.061 1.00 0.00 C ATOM 408 CG LEU A 27 8.352 3.664 -6.298 1.00 0.00 C ATOM 409 CD1 LEU A 27 9.568 4.134 -7.097 1.00 0.00 C ATOM 410 CD2 LEU A 27 8.561 2.213 -5.859 1.00 0.00 C ATOM 0 H LEU A 27 7.345 6.036 -3.302 1.00 0.00 H new ATOM 0 HA LEU A 27 7.775 6.337 -6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.156 4.858 -4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.698 3.983 -4.263 1.00 0.00 H new ATOM 0 HG LEU A 27 7.460 3.733 -6.921 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.690 3.504 -7.978 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.422 5.169 -7.407 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.461 4.064 -6.476 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.683 1.581 -6.738 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.454 2.146 -5.237 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.695 1.877 -5.288 1.00 0.00 H new ATOM 422 N LEU A 28 5.025 5.238 -4.932 1.00 0.00 N ATOM 423 CA LEU A 28 3.642 4.825 -5.294 1.00 0.00 C ATOM 424 C LEU A 28 2.746 6.054 -5.472 1.00 0.00 C ATOM 425 O LEU A 28 3.110 7.155 -5.108 1.00 0.00 O ATOM 426 CB LEU A 28 3.167 3.984 -4.112 1.00 0.00 C ATOM 427 CG LEU A 28 4.232 2.943 -3.759 1.00 0.00 C ATOM 428 CD1 LEU A 28 4.025 2.468 -2.320 1.00 0.00 C ATOM 429 CD2 LEU A 28 4.115 1.750 -4.711 1.00 0.00 C ATOM 0 H LEU A 28 5.180 5.413 -3.939 1.00 0.00 H new ATOM 0 HA LEU A 28 3.607 4.273 -6.234 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.972 4.625 -3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.228 3.489 -4.360 1.00 0.00 H new ATOM 0 HG LEU A 28 5.222 3.390 -3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.784 1.727 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.108 3.317 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.035 2.022 -2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.873 1.008 -4.460 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.125 1.304 -4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.263 2.087 -5.737 1.00 0.00 H new ATOM 441 N SER A 29 1.578 5.881 -6.033 1.00 0.00 N ATOM 442 CA SER A 29 0.674 7.050 -6.233 1.00 0.00 C ATOM 443 C SER A 29 -0.353 7.150 -5.101 1.00 0.00 C ATOM 444 O SER A 29 -0.289 8.035 -4.270 1.00 0.00 O ATOM 445 CB SER A 29 -0.025 6.791 -7.567 1.00 0.00 C ATOM 446 OG SER A 29 -0.728 7.963 -7.962 1.00 0.00 O ATOM 0 H SER A 29 1.213 4.986 -6.359 1.00 0.00 H new ATOM 0 HA SER A 29 1.226 7.990 -6.233 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.706 6.518 -8.327 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.715 5.953 -7.473 1.00 0.00 H new ATOM 0 HG SER A 29 -1.177 7.802 -8.818 1.00 0.00 H new ATOM 452 N SER A 30 -1.305 6.261 -5.068 1.00 0.00 N ATOM 453 CA SER A 30 -2.343 6.319 -3.995 1.00 0.00 C ATOM 454 C SER A 30 -2.697 4.913 -3.507 1.00 0.00 C ATOM 455 O SER A 30 -1.947 3.975 -3.684 1.00 0.00 O ATOM 456 CB SER A 30 -3.554 6.975 -4.656 1.00 0.00 C ATOM 457 OG SER A 30 -3.948 6.202 -5.782 1.00 0.00 O ATOM 0 H SER A 30 -1.412 5.497 -5.735 1.00 0.00 H new ATOM 0 HA SER A 30 -1.998 6.873 -3.122 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.376 7.048 -3.944 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.309 7.991 -4.965 1.00 0.00 H new ATOM 0 HG SER A 30 -4.789 5.740 -5.583 1.00 0.00 H new ATOM 463 N TRP A 31 -3.838 4.764 -2.889 1.00 0.00 N ATOM 464 CA TRP A 31 -4.249 3.423 -2.382 1.00 0.00 C ATOM 465 C TRP A 31 -5.764 3.365 -2.204 1.00 0.00 C ATOM 466 O TRP A 31 -6.468 4.326 -2.438 1.00 0.00 O ATOM 467 CB TRP A 31 -3.581 3.291 -1.017 1.00 0.00 C ATOM 468 CG TRP A 31 -4.151 4.323 -0.102 1.00 0.00 C ATOM 469 CD1 TRP A 31 -3.873 5.639 -0.170 1.00 0.00 C ATOM 470 CD2 TRP A 31 -5.093 4.157 0.997 1.00 0.00 C ATOM 471 NE1 TRP A 31 -4.568 6.297 0.827 1.00 0.00 N ATOM 472 CE2 TRP A 31 -5.338 5.426 1.573 1.00 0.00 C ATOM 473 CE3 TRP A 31 -5.746 3.040 1.549 1.00 0.00 C ATOM 474 CZ2 TRP A 31 -6.203 5.582 2.656 1.00 0.00 C ATOM 475 CZ3 TRP A 31 -6.620 3.194 2.640 1.00 0.00 C ATOM 476 CH2 TRP A 31 -6.846 4.463 3.191 1.00 0.00 C ATOM 0 H TRP A 31 -4.505 5.515 -2.713 1.00 0.00 H new ATOM 0 HA TRP A 31 -3.963 2.628 -3.071 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -3.746 2.293 -0.611 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -2.503 3.423 -1.110 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -3.214 6.105 -0.887 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -4.518 7.302 0.992 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.575 2.058 1.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.375 6.561 3.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -7.119 2.331 3.055 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -7.517 4.576 4.029 1.00 0.00 H new ATOM 487 N TYR A 32 -6.261 2.250 -1.760 1.00 0.00 N ATOM 488 CA TYR A 32 -7.728 2.124 -1.528 1.00 0.00 C ATOM 489 C TYR A 32 -8.010 0.882 -0.677 1.00 0.00 C ATOM 490 O TYR A 32 -7.429 -0.165 -0.887 1.00 0.00 O ATOM 491 CB TYR A 32 -8.366 2.042 -2.921 1.00 0.00 C ATOM 492 CG TYR A 32 -8.224 0.657 -3.500 1.00 0.00 C ATOM 493 CD1 TYR A 32 -8.899 -0.415 -2.915 1.00 0.00 C ATOM 494 CD2 TYR A 32 -7.431 0.453 -4.633 1.00 0.00 C ATOM 495 CE1 TYR A 32 -8.779 -1.698 -3.459 1.00 0.00 C ATOM 496 CE2 TYR A 32 -7.314 -0.830 -5.182 1.00 0.00 C ATOM 497 CZ TYR A 32 -7.987 -1.906 -4.593 1.00 0.00 C ATOM 498 OH TYR A 32 -7.871 -3.171 -5.133 1.00 0.00 O ATOM 0 H TYR A 32 -5.715 1.415 -1.546 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.144 2.968 -0.978 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.421 2.307 -2.858 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.894 2.767 -3.584 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.514 -0.254 -2.042 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.909 1.284 -5.084 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.298 -2.528 -3.003 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.705 -0.989 -6.059 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.285 -3.139 -5.918 1.00 0.00 H new ATOM 508 N PRO A 33 -8.878 1.058 0.282 1.00 0.00 N ATOM 509 CA PRO A 33 -9.235 -0.042 1.217 1.00 0.00 C ATOM 510 C PRO A 33 -9.976 -1.167 0.491 1.00 0.00 C ATOM 511 O PRO A 33 -10.473 -0.994 -0.602 1.00 0.00 O ATOM 512 CB PRO A 33 -10.131 0.642 2.245 1.00 0.00 C ATOM 513 CG PRO A 33 -10.684 1.825 1.529 1.00 0.00 C ATOM 514 CD PRO A 33 -9.612 2.289 0.584 1.00 0.00 C ATOM 0 HA PRO A 33 -8.363 -0.517 1.667 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.925 -0.023 2.585 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.566 0.941 3.128 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.592 1.561 0.987 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.950 2.615 2.232 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.034 2.737 -0.315 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.968 3.040 1.042 1.00 0.00 H new ATOM 522 N THR A 34 -10.048 -2.324 1.089 1.00 0.00 N ATOM 523 CA THR A 34 -10.746 -3.462 0.423 1.00 0.00 C ATOM 524 C THR A 34 -12.068 -3.772 1.131 1.00 0.00 C ATOM 525 O THR A 34 -12.397 -3.184 2.143 1.00 0.00 O ATOM 526 CB THR A 34 -9.788 -4.653 0.545 1.00 0.00 C ATOM 527 OG1 THR A 34 -10.029 -5.325 1.772 1.00 0.00 O ATOM 528 CG2 THR A 34 -8.337 -4.163 0.506 1.00 0.00 C ATOM 0 H THR A 34 -9.655 -2.531 2.007 1.00 0.00 H new ATOM 0 HA THR A 34 -10.987 -3.235 -0.615 1.00 0.00 H new ATOM 0 HB THR A 34 -9.955 -5.336 -0.288 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.717 -6.010 1.640 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.663 -5.015 0.593 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.152 -3.649 -0.437 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.163 -3.476 1.334 1.00 0.00 H new ATOM 536 N SER A 35 -12.830 -4.689 0.600 1.00 0.00 N ATOM 537 CA SER A 35 -14.135 -5.040 1.231 1.00 0.00 C ATOM 538 C SER A 35 -13.951 -6.171 2.246 1.00 0.00 C ATOM 539 O SER A 35 -12.851 -6.613 2.504 1.00 0.00 O ATOM 540 CB SER A 35 -15.021 -5.499 0.075 1.00 0.00 C ATOM 541 OG SER A 35 -16.385 -5.424 0.469 1.00 0.00 O ATOM 0 H SER A 35 -12.605 -5.212 -0.246 1.00 0.00 H new ATOM 0 HA SER A 35 -14.569 -4.199 1.772 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.849 -4.873 -0.801 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.768 -6.521 -0.208 1.00 0.00 H new ATOM 0 HG SER A 35 -16.956 -5.716 -0.272 1.00 0.00 H new ATOM 547 N GLN A 36 -15.024 -6.641 2.823 1.00 0.00 N ATOM 548 CA GLN A 36 -14.912 -7.743 3.823 1.00 0.00 C ATOM 549 C GLN A 36 -15.215 -9.093 3.166 1.00 0.00 C ATOM 550 O GLN A 36 -15.717 -10.001 3.798 1.00 0.00 O ATOM 551 CB GLN A 36 -15.962 -7.417 4.886 1.00 0.00 C ATOM 552 CG GLN A 36 -15.720 -8.282 6.125 1.00 0.00 C ATOM 553 CD GLN A 36 -16.817 -8.013 7.158 1.00 0.00 C ATOM 554 OE1 GLN A 36 -17.960 -7.799 6.805 1.00 0.00 O ATOM 555 NE2 GLN A 36 -16.515 -8.015 8.428 1.00 0.00 N ATOM 0 H GLN A 36 -15.972 -6.310 2.646 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.910 -7.816 4.245 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.911 -6.361 5.151 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -16.962 -7.599 4.492 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -15.716 -9.337 5.850 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -14.742 -8.060 6.551 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -15.556 -8.195 8.724 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -17.239 -7.837 9.125 1.00 0.00 H new ATOM 564 N LEU A 37 -14.911 -9.235 1.905 1.00 0.00 N ATOM 565 CA LEU A 37 -15.182 -10.530 1.216 1.00 0.00 C ATOM 566 C LEU A 37 -13.872 -11.285 0.975 1.00 0.00 C ATOM 567 O LEU A 37 -13.858 -12.489 0.814 1.00 0.00 O ATOM 568 CB LEU A 37 -15.831 -10.146 -0.114 1.00 0.00 C ATOM 569 CG LEU A 37 -16.059 -11.406 -0.952 1.00 0.00 C ATOM 570 CD1 LEU A 37 -17.467 -11.944 -0.694 1.00 0.00 C ATOM 571 CD2 LEU A 37 -15.909 -11.065 -2.436 1.00 0.00 C ATOM 0 H LEU A 37 -14.488 -8.513 1.323 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.823 -11.185 1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -16.779 -9.639 0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.192 -9.447 -0.654 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.325 -12.163 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -17.629 -12.841 -1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -17.576 -12.187 0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -18.202 -11.188 -0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.071 -11.962 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -16.643 -10.308 -2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.906 -10.682 -2.622 1.00 0.00 H new ATOM 583 N CYS A 38 -12.769 -10.587 0.951 1.00 0.00 N ATOM 584 CA CYS A 38 -11.461 -11.266 0.721 1.00 0.00 C ATOM 585 C CYS A 38 -11.001 -11.978 1.996 1.00 0.00 C ATOM 586 O CYS A 38 -11.411 -11.640 3.088 1.00 0.00 O ATOM 587 CB CYS A 38 -10.490 -10.143 0.355 1.00 0.00 C ATOM 588 SG CYS A 38 -10.942 -9.459 -1.258 1.00 0.00 S ATOM 0 H CYS A 38 -12.717 -9.577 1.081 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.522 -12.023 -0.060 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -10.518 -9.362 1.114 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.469 -10.525 0.327 1.00 0.00 H new ATOM 593 N SER A 39 -10.149 -12.959 1.865 1.00 0.00 N ATOM 594 CA SER A 39 -9.662 -13.689 3.071 1.00 0.00 C ATOM 595 C SER A 39 -9.320 -12.696 4.183 1.00 0.00 C ATOM 596 O SER A 39 -9.729 -12.850 5.317 1.00 0.00 O ATOM 597 CB SER A 39 -8.408 -14.427 2.606 1.00 0.00 C ATOM 598 OG SER A 39 -7.617 -13.555 1.810 1.00 0.00 O ATOM 0 H SER A 39 -9.770 -13.286 0.976 1.00 0.00 H new ATOM 0 HA SER A 39 -10.410 -14.372 3.473 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.835 -14.772 3.467 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.685 -15.311 2.032 1.00 0.00 H new ATOM 0 HG SER A 39 -6.811 -14.026 1.512 1.00 0.00 H new ATOM 604 N LYS A 40 -8.577 -11.677 3.861 1.00 0.00 N ATOM 605 CA LYS A 40 -8.206 -10.666 4.893 1.00 0.00 C ATOM 606 C LYS A 40 -8.300 -9.256 4.302 1.00 0.00 C ATOM 607 O LYS A 40 -7.490 -8.870 3.483 1.00 0.00 O ATOM 608 CB LYS A 40 -6.763 -10.998 5.274 1.00 0.00 C ATOM 609 CG LYS A 40 -6.693 -11.319 6.768 1.00 0.00 C ATOM 610 CD LYS A 40 -5.275 -11.768 7.130 1.00 0.00 C ATOM 611 CE LYS A 40 -5.314 -12.583 8.424 1.00 0.00 C ATOM 612 NZ LYS A 40 -4.862 -11.640 9.486 1.00 0.00 N ATOM 0 H LYS A 40 -8.209 -11.498 2.927 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.868 -10.693 5.759 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.408 -11.848 4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.111 -10.156 5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.968 -10.441 7.352 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.408 -12.103 7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.854 -12.367 6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.627 -10.900 7.253 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.319 -12.954 8.627 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.659 -13.452 8.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.862 -12.127 10.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.900 -11.309 9.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.508 -10.826 9.525 1.00 0.00 H new ATOM 626 N PRO A 41 -9.294 -8.534 4.743 1.00 0.00 N ATOM 627 CA PRO A 41 -9.509 -7.149 4.257 1.00 0.00 C ATOM 628 C PRO A 41 -8.423 -6.215 4.797 1.00 0.00 C ATOM 629 O PRO A 41 -8.190 -6.143 5.987 1.00 0.00 O ATOM 630 CB PRO A 41 -10.875 -6.779 4.822 1.00 0.00 C ATOM 631 CG PRO A 41 -11.040 -7.654 6.016 1.00 0.00 C ATOM 632 CD PRO A 41 -10.302 -8.934 5.728 1.00 0.00 C ATOM 0 HA PRO A 41 -9.466 -7.066 3.171 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.918 -5.725 5.095 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.666 -6.952 4.092 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.640 -7.170 6.907 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.095 -7.851 6.207 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.843 -9.344 6.628 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.968 -9.701 5.332 1.00 0.00 H new ATOM 640 N GLY A 42 -7.758 -5.499 3.933 1.00 0.00 N ATOM 641 CA GLY A 42 -6.692 -4.575 4.403 1.00 0.00 C ATOM 642 C GLY A 42 -6.614 -3.362 3.477 1.00 0.00 C ATOM 643 O GLY A 42 -7.620 -2.835 3.042 1.00 0.00 O ATOM 0 H GLY A 42 -7.907 -5.515 2.924 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.901 -4.253 5.423 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.732 -5.092 4.422 1.00 0.00 H new ATOM 647 N VAL A 43 -5.428 -2.913 3.174 1.00 0.00 N ATOM 648 CA VAL A 43 -5.288 -1.733 2.276 1.00 0.00 C ATOM 649 C VAL A 43 -4.349 -2.062 1.116 1.00 0.00 C ATOM 650 O VAL A 43 -3.283 -2.611 1.303 1.00 0.00 O ATOM 651 CB VAL A 43 -4.692 -0.628 3.153 1.00 0.00 C ATOM 652 CG1 VAL A 43 -3.823 0.299 2.302 1.00 0.00 C ATOM 653 CG2 VAL A 43 -5.820 0.192 3.778 1.00 0.00 C ATOM 0 H VAL A 43 -4.551 -3.311 3.509 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.241 -1.433 1.840 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.085 -1.085 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.402 1.083 2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.015 -0.275 1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.432 0.751 1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.395 0.978 4.402 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.424 0.641 2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.447 -0.458 4.389 1.00 0.00 H new ATOM 663 N ILE A 44 -4.731 -1.713 -0.078 1.00 0.00 N ATOM 664 CA ILE A 44 -3.851 -1.987 -1.245 1.00 0.00 C ATOM 665 C ILE A 44 -3.336 -0.661 -1.803 1.00 0.00 C ATOM 666 O ILE A 44 -4.053 0.319 -1.855 1.00 0.00 O ATOM 667 CB ILE A 44 -4.725 -2.728 -2.273 1.00 0.00 C ATOM 668 CG1 ILE A 44 -4.250 -2.398 -3.696 1.00 0.00 C ATOM 669 CG2 ILE A 44 -6.192 -2.322 -2.115 1.00 0.00 C ATOM 670 CD1 ILE A 44 -4.765 -1.021 -4.121 1.00 0.00 C ATOM 0 H ILE A 44 -5.613 -1.250 -0.297 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.982 -2.590 -0.983 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.634 -3.800 -2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.161 -2.415 -3.736 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.607 -3.158 -4.391 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.798 -2.854 -2.849 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.533 -2.574 -1.111 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.291 -1.248 -2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.421 -0.800 -5.131 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.855 -1.018 -4.100 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.387 -0.263 -3.435 1.00 0.00 H new ATOM 682 N PHE A 45 -2.100 -0.612 -2.206 1.00 0.00 N ATOM 683 CA PHE A 45 -1.549 0.659 -2.739 1.00 0.00 C ATOM 684 C PHE A 45 -1.322 0.555 -4.248 1.00 0.00 C ATOM 685 O PHE A 45 -0.882 -0.458 -4.752 1.00 0.00 O ATOM 686 CB PHE A 45 -0.205 0.822 -2.033 1.00 0.00 C ATOM 687 CG PHE A 45 -0.415 1.088 -0.564 1.00 0.00 C ATOM 688 CD1 PHE A 45 -0.695 2.384 -0.120 1.00 0.00 C ATOM 689 CD2 PHE A 45 -0.314 0.038 0.357 1.00 0.00 C ATOM 690 CE1 PHE A 45 -0.879 2.631 1.245 1.00 0.00 C ATOM 691 CE2 PHE A 45 -0.495 0.286 1.722 1.00 0.00 C ATOM 692 CZ PHE A 45 -0.777 1.581 2.165 1.00 0.00 C ATOM 0 H PHE A 45 -1.449 -1.397 -2.189 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.224 1.498 -2.570 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.394 -0.079 -2.164 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.352 1.644 -2.482 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.769 3.194 -0.830 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.097 -0.963 0.014 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.100 3.631 1.588 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.417 -0.523 2.433 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.916 1.772 3.219 1.00 0.00 H new ATOM 702 N LEU A 46 -1.595 1.607 -4.968 1.00 0.00 N ATOM 703 CA LEU A 46 -1.369 1.580 -6.437 1.00 0.00 C ATOM 704 C LEU A 46 -0.188 2.489 -6.777 1.00 0.00 C ATOM 705 O LEU A 46 -0.173 3.657 -6.439 1.00 0.00 O ATOM 706 CB LEU A 46 -2.657 2.117 -7.057 1.00 0.00 C ATOM 707 CG LEU A 46 -3.339 1.004 -7.853 1.00 0.00 C ATOM 708 CD1 LEU A 46 -2.312 0.334 -8.765 1.00 0.00 C ATOM 709 CD2 LEU A 46 -3.914 -0.034 -6.887 1.00 0.00 C ATOM 0 H LEU A 46 -1.965 2.484 -4.601 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.138 0.582 -6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.324 2.483 -6.277 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.435 2.962 -7.709 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.144 1.426 -8.455 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.794 -0.460 -9.334 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.898 1.073 -9.451 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.510 -0.089 -8.160 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.401 -0.828 -7.453 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.109 -0.458 -6.287 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.643 0.443 -6.232 1.00 0.00 H new ATOM 721 N THR A 47 0.805 1.959 -7.431 1.00 0.00 N ATOM 722 CA THR A 47 1.994 2.787 -7.779 1.00 0.00 C ATOM 723 C THR A 47 1.577 3.989 -8.622 1.00 0.00 C ATOM 724 O THR A 47 0.474 4.483 -8.517 1.00 0.00 O ATOM 725 CB THR A 47 2.904 1.859 -8.591 1.00 0.00 C ATOM 726 OG1 THR A 47 2.348 1.664 -9.886 1.00 0.00 O ATOM 727 CG2 THR A 47 3.030 0.512 -7.878 1.00 0.00 C ATOM 0 H THR A 47 0.846 0.988 -7.740 1.00 0.00 H new ATOM 0 HA THR A 47 2.493 3.178 -6.892 1.00 0.00 H new ATOM 0 HB THR A 47 3.892 2.310 -8.685 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.001 1.208 -10.457 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.677 -0.147 -8.457 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.459 0.663 -6.887 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.044 0.058 -7.781 1.00 0.00 H new ATOM 735 N LYS A 48 2.455 4.446 -9.467 1.00 0.00 N ATOM 736 CA LYS A 48 2.129 5.601 -10.347 1.00 0.00 C ATOM 737 C LYS A 48 2.130 5.118 -11.798 1.00 0.00 C ATOM 738 O LYS A 48 1.982 5.886 -12.727 1.00 0.00 O ATOM 739 CB LYS A 48 3.249 6.615 -10.112 1.00 0.00 C ATOM 740 CG LYS A 48 2.859 7.553 -8.967 1.00 0.00 C ATOM 741 CD LYS A 48 3.728 8.811 -9.019 1.00 0.00 C ATOM 742 CE LYS A 48 3.350 9.644 -10.246 1.00 0.00 C ATOM 743 NZ LYS A 48 3.181 11.031 -9.733 1.00 0.00 N ATOM 0 H LYS A 48 3.394 4.066 -9.587 1.00 0.00 H new ATOM 0 HA LYS A 48 1.154 6.040 -10.138 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.178 6.097 -9.872 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.430 7.189 -11.021 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.806 7.822 -9.046 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.988 7.048 -8.009 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.590 9.398 -8.111 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.782 8.536 -9.064 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.127 9.597 -11.009 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.431 9.278 -10.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.921 11.662 -10.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.431 11.046 -9.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.074 11.356 -9.309 1.00 0.00 H new ATOM 757 N ARG A 49 2.306 3.837 -11.982 1.00 0.00 N ATOM 758 CA ARG A 49 2.330 3.263 -13.354 1.00 0.00 C ATOM 759 C ARG A 49 1.125 2.345 -13.565 1.00 0.00 C ATOM 760 O ARG A 49 0.151 2.713 -14.192 1.00 0.00 O ATOM 761 CB ARG A 49 3.629 2.457 -13.405 1.00 0.00 C ATOM 762 CG ARG A 49 4.765 3.348 -13.909 1.00 0.00 C ATOM 763 CD ARG A 49 5.015 3.066 -15.393 1.00 0.00 C ATOM 764 NE ARG A 49 5.018 4.407 -16.043 1.00 0.00 N ATOM 765 CZ ARG A 49 4.239 4.638 -17.064 1.00 0.00 C ATOM 766 NH1 ARG A 49 3.991 3.689 -17.925 1.00 0.00 N ATOM 767 NH2 ARG A 49 3.706 5.818 -17.224 1.00 0.00 N ATOM 0 H ARG A 49 2.435 3.159 -11.231 1.00 0.00 H new ATOM 0 HA ARG A 49 2.283 4.028 -14.129 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.868 2.071 -12.414 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.509 1.596 -14.063 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.509 4.398 -13.765 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.672 3.159 -13.334 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.965 2.552 -15.543 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.237 2.426 -15.810 1.00 0.00 H new ATOM 0 HE ARG A 49 5.629 5.144 -15.690 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.406 2.766 -17.800 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.382 3.871 -18.723 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.898 6.560 -16.551 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.097 5.999 -18.022 1.00 0.00 H new ATOM 781 N GLY A 50 1.186 1.150 -13.047 1.00 0.00 N ATOM 782 CA GLY A 50 0.048 0.203 -13.216 1.00 0.00 C ATOM 783 C GLY A 50 0.247 -1.012 -12.308 1.00 0.00 C ATOM 784 O GLY A 50 -0.234 -2.093 -12.589 1.00 0.00 O ATOM 0 H GLY A 50 1.976 0.787 -12.513 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.891 0.701 -12.973 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.021 -0.116 -14.256 1.00 0.00 H new ATOM 788 N ARG A 51 0.949 -0.848 -11.219 1.00 0.00 N ATOM 789 CA ARG A 51 1.170 -2.000 -10.298 1.00 0.00 C ATOM 790 C ARG A 51 0.387 -1.792 -8.999 1.00 0.00 C ATOM 791 O ARG A 51 0.250 -0.687 -8.515 1.00 0.00 O ATOM 792 CB ARG A 51 2.675 -2.015 -10.024 1.00 0.00 C ATOM 793 CG ARG A 51 3.156 -3.463 -9.912 1.00 0.00 C ATOM 794 CD ARG A 51 4.429 -3.645 -10.741 1.00 0.00 C ATOM 795 NE ARG A 51 4.009 -4.464 -11.912 1.00 0.00 N ATOM 796 CZ ARG A 51 4.902 -4.889 -12.764 1.00 0.00 C ATOM 797 NH1 ARG A 51 5.625 -4.033 -13.431 1.00 0.00 N ATOM 798 NH2 ARG A 51 5.069 -6.170 -12.948 1.00 0.00 N ATOM 0 H ARG A 51 1.378 0.031 -10.928 1.00 0.00 H new ATOM 0 HA ARG A 51 0.830 -2.942 -10.728 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.207 -1.504 -10.827 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.894 -1.475 -9.103 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.350 -3.713 -8.869 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.380 -4.143 -10.264 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.836 -2.684 -11.056 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.207 -4.147 -10.166 1.00 0.00 H new ATOM 0 HE ARG A 51 3.024 -4.693 -12.048 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.493 -3.032 -13.287 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.323 -4.364 -14.097 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.502 -6.838 -12.426 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.767 -6.503 -13.614 1.00 0.00 H new ATOM 812 N GLN A 52 -0.139 -2.846 -8.435 1.00 0.00 N ATOM 813 CA GLN A 52 -0.920 -2.709 -7.180 1.00 0.00 C ATOM 814 C GLN A 52 -0.149 -3.314 -6.005 1.00 0.00 C ATOM 815 O GLN A 52 0.736 -4.127 -6.181 1.00 0.00 O ATOM 816 CB GLN A 52 -2.201 -3.501 -7.427 1.00 0.00 C ATOM 817 CG GLN A 52 -2.697 -3.266 -8.857 1.00 0.00 C ATOM 818 CD GLN A 52 -3.655 -4.392 -9.252 1.00 0.00 C ATOM 819 OE1 GLN A 52 -3.360 -5.174 -10.134 1.00 0.00 O ATOM 820 NE2 GLN A 52 -4.798 -4.508 -8.633 1.00 0.00 N ATOM 0 H GLN A 52 -0.059 -3.798 -8.794 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.118 -1.666 -6.932 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.017 -4.564 -7.267 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.968 -3.199 -6.714 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.202 -2.303 -8.925 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.853 -3.233 -9.546 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.046 -3.852 -7.893 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.443 -5.255 -8.890 1.00 0.00 H new ATOM 829 N VAL A 53 -0.486 -2.925 -4.810 1.00 0.00 N ATOM 830 CA VAL A 53 0.210 -3.472 -3.616 1.00 0.00 C ATOM 831 C VAL A 53 -0.807 -3.751 -2.506 1.00 0.00 C ATOM 832 O VAL A 53 -1.837 -3.121 -2.425 1.00 0.00 O ATOM 833 CB VAL A 53 1.185 -2.371 -3.201 1.00 0.00 C ATOM 834 CG1 VAL A 53 1.381 -2.405 -1.688 1.00 0.00 C ATOM 835 CG2 VAL A 53 2.532 -2.602 -3.889 1.00 0.00 C ATOM 0 H VAL A 53 -1.220 -2.246 -4.608 1.00 0.00 H new ATOM 0 HA VAL A 53 0.723 -4.413 -3.817 1.00 0.00 H new ATOM 0 HB VAL A 53 0.783 -1.401 -3.494 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.077 -1.619 -1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.423 -2.246 -1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.784 -3.375 -1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.230 -1.818 -3.595 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.930 -3.572 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.397 -2.580 -4.970 1.00 0.00 H new ATOM 845 N CYS A 54 -0.526 -4.693 -1.652 1.00 0.00 N ATOM 846 CA CYS A 54 -1.479 -5.011 -0.552 1.00 0.00 C ATOM 847 C CYS A 54 -0.739 -5.078 0.781 1.00 0.00 C ATOM 848 O CYS A 54 0.102 -5.926 0.981 1.00 0.00 O ATOM 849 CB CYS A 54 -2.036 -6.383 -0.913 1.00 0.00 C ATOM 850 SG CYS A 54 -3.360 -6.825 0.240 1.00 0.00 S ATOM 0 H CYS A 54 0.323 -5.258 -1.667 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.261 -4.259 -0.447 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.417 -6.374 -1.934 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.243 -7.130 -0.875 1.00 0.00 H new ATOM 855 N ALA A 55 -1.040 -4.200 1.699 1.00 0.00 N ATOM 856 CA ALA A 55 -0.336 -4.247 3.008 1.00 0.00 C ATOM 857 C ALA A 55 -1.327 -4.013 4.150 1.00 0.00 C ATOM 858 O ALA A 55 -2.345 -3.369 3.982 1.00 0.00 O ATOM 859 CB ALA A 55 0.693 -3.122 2.942 1.00 0.00 C ATOM 0 H ALA A 55 -1.735 -3.460 1.600 1.00 0.00 H new ATOM 0 HA ALA A 55 0.133 -5.213 3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.257 -3.090 3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.375 -3.301 2.111 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.183 -2.170 2.793 1.00 0.00 H new ATOM 865 N ASP A 56 -1.038 -4.536 5.309 1.00 0.00 N ATOM 866 CA ASP A 56 -1.962 -4.347 6.462 1.00 0.00 C ATOM 867 C ASP A 56 -1.866 -2.912 6.983 1.00 0.00 C ATOM 868 O ASP A 56 -0.852 -2.499 7.510 1.00 0.00 O ATOM 869 CB ASP A 56 -1.478 -5.340 7.520 1.00 0.00 C ATOM 870 CG ASP A 56 -2.617 -5.638 8.497 1.00 0.00 C ATOM 871 OD1 ASP A 56 -3.660 -5.019 8.369 1.00 0.00 O ATOM 872 OD2 ASP A 56 -2.425 -6.484 9.357 1.00 0.00 O ATOM 0 H ASP A 56 -0.202 -5.086 5.508 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.005 -4.516 6.193 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.143 -6.261 7.043 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.623 -4.929 8.056 1.00 0.00 H new ATOM 877 N LYS A 57 -2.912 -2.148 6.836 1.00 0.00 N ATOM 878 CA LYS A 57 -2.880 -0.736 7.320 1.00 0.00 C ATOM 879 C LYS A 57 -2.252 -0.662 8.716 1.00 0.00 C ATOM 880 O LYS A 57 -1.783 0.375 9.139 1.00 0.00 O ATOM 881 CB LYS A 57 -4.345 -0.287 7.364 1.00 0.00 C ATOM 882 CG LYS A 57 -5.234 -1.455 7.798 1.00 0.00 C ATOM 883 CD LYS A 57 -5.986 -2.001 6.582 1.00 0.00 C ATOM 884 CE LYS A 57 -7.364 -1.340 6.493 1.00 0.00 C ATOM 885 NZ LYS A 57 -8.331 -2.420 6.840 1.00 0.00 N ATOM 0 H LYS A 57 -3.788 -2.438 6.402 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.281 -0.098 6.670 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.459 0.546 8.058 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.654 0.072 6.382 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.627 -2.241 8.247 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.941 -1.125 8.559 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.418 -1.806 5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.095 -3.082 6.664 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.445 -0.501 7.184 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.551 -0.949 5.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.205 -1.997 7.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.550 -2.976 5.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.913 -3.042 7.562 1.00 0.00 H new ATOM 899 N SER A 58 -2.239 -1.751 9.437 1.00 0.00 N ATOM 900 CA SER A 58 -1.639 -1.732 10.803 1.00 0.00 C ATOM 901 C SER A 58 -0.111 -1.666 10.714 1.00 0.00 C ATOM 902 O SER A 58 0.578 -1.678 11.714 1.00 0.00 O ATOM 903 CB SER A 58 -2.084 -3.042 11.451 1.00 0.00 C ATOM 904 OG SER A 58 -2.161 -4.055 10.457 1.00 0.00 O ATOM 0 H SER A 58 -2.617 -2.651 9.140 1.00 0.00 H new ATOM 0 HA SER A 58 -1.958 -0.864 11.380 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.379 -3.334 12.230 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.054 -2.913 11.931 1.00 0.00 H new ATOM 0 HG SER A 58 -2.144 -4.936 10.886 1.00 0.00 H new ATOM 910 N LYS A 59 0.421 -1.593 9.525 1.00 0.00 N ATOM 911 CA LYS A 59 1.903 -1.522 9.373 1.00 0.00 C ATOM 912 C LYS A 59 2.375 -0.076 9.507 1.00 0.00 C ATOM 913 O LYS A 59 1.956 0.794 8.775 1.00 0.00 O ATOM 914 CB LYS A 59 2.177 -2.045 7.965 1.00 0.00 C ATOM 915 CG LYS A 59 2.529 -3.532 8.029 1.00 0.00 C ATOM 916 CD LYS A 59 3.886 -3.707 8.712 1.00 0.00 C ATOM 917 CE LYS A 59 4.674 -4.814 8.008 1.00 0.00 C ATOM 918 NZ LYS A 59 4.397 -6.044 8.801 1.00 0.00 N ATOM 0 H LYS A 59 -0.106 -1.579 8.652 1.00 0.00 H new ATOM 0 HA LYS A 59 2.428 -2.100 10.134 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.301 -1.895 7.334 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.996 -1.486 7.512 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.761 -4.075 8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.559 -3.953 7.024 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.445 -2.772 8.679 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.746 -3.958 9.763 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.353 -4.931 6.973 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.740 -4.589 7.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.903 -6.849 8.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.719 -5.906 9.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.375 -6.237 8.797 1.00 0.00 H new ATOM 932 N ASP A 60 3.245 0.184 10.439 1.00 0.00 N ATOM 933 CA ASP A 60 3.748 1.573 10.627 1.00 0.00 C ATOM 934 C ASP A 60 4.106 2.208 9.279 1.00 0.00 C ATOM 935 O ASP A 60 3.577 3.238 8.909 1.00 0.00 O ATOM 936 CB ASP A 60 4.995 1.416 11.493 1.00 0.00 C ATOM 937 CG ASP A 60 4.607 1.503 12.971 1.00 0.00 C ATOM 938 OD1 ASP A 60 4.210 2.576 13.396 1.00 0.00 O ATOM 939 OD2 ASP A 60 4.714 0.496 13.651 1.00 0.00 O ATOM 0 H ASP A 60 3.632 -0.507 11.082 1.00 0.00 H new ATOM 0 HA ASP A 60 3.003 2.223 11.086 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.474 0.459 11.288 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.719 2.194 11.250 1.00 0.00 H new ATOM 944 N TRP A 61 5.002 1.608 8.545 1.00 0.00 N ATOM 945 CA TRP A 61 5.391 2.188 7.227 1.00 0.00 C ATOM 946 C TRP A 61 4.153 2.394 6.356 1.00 0.00 C ATOM 947 O TRP A 61 4.029 3.378 5.651 1.00 0.00 O ATOM 948 CB TRP A 61 6.339 1.162 6.602 1.00 0.00 C ATOM 949 CG TRP A 61 5.572 -0.013 6.085 1.00 0.00 C ATOM 950 CD1 TRP A 61 5.207 -1.080 6.824 1.00 0.00 C ATOM 951 CD2 TRP A 61 5.086 -0.266 4.734 1.00 0.00 C ATOM 952 NE1 TRP A 61 4.536 -1.980 6.014 1.00 0.00 N ATOM 953 CE2 TRP A 61 4.435 -1.522 4.716 1.00 0.00 C ATOM 954 CE3 TRP A 61 5.147 0.461 3.534 1.00 0.00 C ATOM 955 CZ2 TRP A 61 3.868 -2.037 3.548 1.00 0.00 C ATOM 956 CZ3 TRP A 61 4.575 -0.054 2.358 1.00 0.00 C ATOM 957 CH2 TRP A 61 3.938 -1.302 2.366 1.00 0.00 C ATOM 0 H TRP A 61 5.481 0.744 8.799 1.00 0.00 H new ATOM 0 HA TRP A 61 5.868 3.163 7.327 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.900 1.624 5.789 1.00 0.00 H new ATOM 0 HB3 TRP A 61 7.066 0.831 7.343 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.406 -1.211 7.877 1.00 0.00 H new ATOM 0 HE1 TRP A 61 4.162 -2.872 6.337 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.637 1.423 3.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.378 -2.999 3.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 4.627 0.516 1.442 1.00 0.00 H new ATOM 0 HH2 TRP A 61 3.502 -1.693 1.459 1.00 0.00 H new ATOM 968 N VAL A 62 3.231 1.478 6.406 1.00 0.00 N ATOM 969 CA VAL A 62 2.000 1.623 5.594 1.00 0.00 C ATOM 970 C VAL A 62 1.178 2.809 6.104 1.00 0.00 C ATOM 971 O VAL A 62 0.766 3.664 5.346 1.00 0.00 O ATOM 972 CB VAL A 62 1.261 0.306 5.800 1.00 0.00 C ATOM 973 CG1 VAL A 62 -0.237 0.541 5.702 1.00 0.00 C ATOM 974 CG2 VAL A 62 1.686 -0.685 4.720 1.00 0.00 C ATOM 0 H VAL A 62 3.279 0.634 6.976 1.00 0.00 H new ATOM 0 HA VAL A 62 2.198 1.817 4.540 1.00 0.00 H new ATOM 0 HB VAL A 62 1.502 -0.095 6.784 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.764 -0.402 5.850 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.545 1.252 6.469 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.479 0.941 4.717 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.159 -1.628 4.864 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.442 -0.280 3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.761 -0.856 4.785 1.00 0.00 H new ATOM 984 N LYS A 63 0.944 2.875 7.385 1.00 0.00 N ATOM 985 CA LYS A 63 0.164 4.007 7.936 1.00 0.00 C ATOM 986 C LYS A 63 0.633 5.307 7.289 1.00 0.00 C ATOM 987 O LYS A 63 -0.156 6.075 6.774 1.00 0.00 O ATOM 988 CB LYS A 63 0.476 3.990 9.430 1.00 0.00 C ATOM 989 CG LYS A 63 -0.727 4.519 10.204 1.00 0.00 C ATOM 990 CD LYS A 63 -0.705 6.049 10.207 1.00 0.00 C ATOM 991 CE LYS A 63 -1.023 6.562 11.614 1.00 0.00 C ATOM 992 NZ LYS A 63 0.140 6.148 12.447 1.00 0.00 N ATOM 0 H LYS A 63 1.262 2.191 8.071 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.907 3.928 7.748 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.712 2.976 9.752 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.354 4.603 9.637 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.651 4.160 9.750 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.708 4.143 11.227 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.273 6.410 9.889 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.434 6.435 9.494 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.148 7.645 11.621 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.951 6.132 11.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.360 6.898 13.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.092 5.271 12.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.965 5.986 11.835 1.00 0.00 H new ATOM 1006 N LYS A 64 1.916 5.550 7.285 1.00 0.00 N ATOM 1007 CA LYS A 64 2.422 6.791 6.640 1.00 0.00 C ATOM 1008 C LYS A 64 1.933 6.823 5.194 1.00 0.00 C ATOM 1009 O LYS A 64 1.471 7.835 4.704 1.00 0.00 O ATOM 1010 CB LYS A 64 3.946 6.682 6.695 1.00 0.00 C ATOM 1011 CG LYS A 64 4.562 7.671 5.704 1.00 0.00 C ATOM 1012 CD LYS A 64 6.019 7.938 6.087 1.00 0.00 C ATOM 1013 CE LYS A 64 6.908 7.770 4.854 1.00 0.00 C ATOM 1014 NZ LYS A 64 8.294 7.679 5.391 1.00 0.00 N ATOM 0 H LYS A 64 2.629 4.948 7.697 1.00 0.00 H new ATOM 0 HA LYS A 64 2.076 7.701 7.131 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.301 6.893 7.704 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.258 5.666 6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.509 7.269 4.692 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.998 8.604 5.706 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.122 8.946 6.488 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.332 7.249 6.871 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.642 6.874 4.294 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.803 8.614 4.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.964 7.562 4.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.522 8.549 5.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.366 6.862 6.031 1.00 0.00 H new ATOM 1028 N LEU A 65 2.015 5.711 4.515 1.00 0.00 N ATOM 1029 CA LEU A 65 1.538 5.664 3.105 1.00 0.00 C ATOM 1030 C LEU A 65 0.059 6.047 3.054 1.00 0.00 C ATOM 1031 O LEU A 65 -0.332 6.976 2.380 1.00 0.00 O ATOM 1032 CB LEU A 65 1.728 4.206 2.672 1.00 0.00 C ATOM 1033 CG LEU A 65 3.197 3.970 2.319 1.00 0.00 C ATOM 1034 CD1 LEU A 65 3.566 2.521 2.620 1.00 0.00 C ATOM 1035 CD2 LEU A 65 3.415 4.243 0.831 1.00 0.00 C ATOM 0 H LEU A 65 2.391 4.834 4.876 1.00 0.00 H new ATOM 0 HA LEU A 65 2.077 6.353 2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.422 3.534 3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.096 3.985 1.812 1.00 0.00 H new ATOM 0 HG LEU A 65 3.822 4.639 2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.613 2.352 2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.410 2.318 3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.939 1.855 2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.462 4.075 0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.788 3.573 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.150 5.277 0.608 1.00 0.00 H new HETATM 1047 N MSE A 66 -0.762 5.333 3.764 1.00 0.00 N HETATM 1048 CA MSE A 66 -2.221 5.640 3.770 1.00 0.00 C HETATM 1049 C MSE A 66 -2.468 7.094 4.185 1.00 0.00 C HETATM 1050 O MSE A 66 -3.503 7.662 3.896 1.00 0.00 O HETATM 1051 CB MSE A 66 -2.809 4.683 4.806 1.00 0.00 C HETATM 1052 CG MSE A 66 -3.998 3.940 4.195 1.00 0.00 C HETATM 1053 SE MSE A 66 -4.062 2.156 5.226 1.00 0.00 SE HETATM 1054 CE MSE A 66 -4.862 2.896 6.977 1.00 0.00 C HETATM 0 H MSE A 66 -0.486 4.542 4.347 1.00 0.00 H new HETATM 0 HA MSE A 66 -2.672 5.518 2.785 1.00 0.00 H new HETATM 0 HB2 MSE A 66 -2.050 3.972 5.132 1.00 0.00 H new HETATM 0 HB3 MSE A 66 -3.127 5.237 5.689 1.00 0.00 H new HETATM 0 HG2 MSE A 66 -4.924 4.503 4.315 1.00 0.00 H new HETATM 0 HG3 MSE A 66 -3.860 3.778 3.126 1.00 0.00 H new HETATM 0 HE1 MSE A 66 -4.985 2.083 7.693 1.00 0.00 H new HETATM 0 HE2 MSE A 66 -4.192 3.649 7.393 1.00 0.00 H new HETATM 0 HE3 MSE A 66 -5.832 3.348 6.771 1.00 0.00 H new ATOM 1064 N GLN A 67 -1.534 7.701 4.867 1.00 0.00 N ATOM 1065 CA GLN A 67 -1.732 9.115 5.302 1.00 0.00 C ATOM 1066 C GLN A 67 -1.346 10.084 4.180 1.00 0.00 C ATOM 1067 O GLN A 67 -2.037 11.049 3.920 1.00 0.00 O ATOM 1068 CB GLN A 67 -0.807 9.291 6.507 1.00 0.00 C ATOM 1069 CG GLN A 67 -1.645 9.377 7.785 1.00 0.00 C ATOM 1070 CD GLN A 67 -2.643 8.220 7.822 1.00 0.00 C ATOM 1071 OE1 GLN A 67 -2.338 7.125 7.390 1.00 0.00 O ATOM 1072 NE2 GLN A 67 -3.832 8.414 8.324 1.00 0.00 N ATOM 0 H GLN A 67 -0.646 7.281 5.141 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.772 9.325 5.550 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.112 8.454 6.571 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.208 10.194 6.390 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.997 9.339 8.660 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.175 10.329 7.821 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.089 9.332 8.687 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.504 7.648 8.354 1.00 0.00 H new ATOM 1081 N GLN A 68 -0.250 9.841 3.516 1.00 0.00 N ATOM 1082 CA GLN A 68 0.171 10.757 2.416 1.00 0.00 C ATOM 1083 C GLN A 68 -0.561 10.404 1.118 1.00 0.00 C ATOM 1084 O GLN A 68 -0.772 11.243 0.264 1.00 0.00 O ATOM 1085 CB GLN A 68 1.673 10.527 2.263 1.00 0.00 C ATOM 1086 CG GLN A 68 2.431 11.497 3.171 1.00 0.00 C ATOM 1087 CD GLN A 68 3.810 11.785 2.573 1.00 0.00 C ATOM 1088 OE1 GLN A 68 3.948 11.925 1.374 1.00 0.00 O ATOM 1089 NE2 GLN A 68 4.844 11.882 3.364 1.00 0.00 N ATOM 0 H GLN A 68 0.372 9.050 3.686 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.063 11.799 2.636 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.923 9.498 2.523 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.971 10.675 1.225 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.869 12.425 3.279 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.537 11.070 4.168 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.729 11.765 4.371 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.767 12.075 2.975 1.00 0.00 H new ATOM 1098 N LEU A 69 -0.949 9.171 0.966 1.00 0.00 N ATOM 1099 CA LEU A 69 -1.666 8.758 -0.271 1.00 0.00 C ATOM 1100 C LEU A 69 -3.176 8.928 -0.084 1.00 0.00 C ATOM 1101 O LEU A 69 -3.690 8.772 1.006 1.00 0.00 O ATOM 1102 CB LEU A 69 -1.317 7.280 -0.459 1.00 0.00 C ATOM 1103 CG LEU A 69 0.157 7.034 -0.142 1.00 0.00 C ATOM 1104 CD1 LEU A 69 0.345 5.583 0.298 1.00 0.00 C ATOM 1105 CD2 LEU A 69 1.001 7.285 -1.389 1.00 0.00 C ATOM 0 H LEU A 69 -0.800 8.427 1.648 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.379 9.358 -1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.942 6.667 0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.530 6.977 -1.484 1.00 0.00 H new ATOM 0 HG LEU A 69 0.470 7.709 0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.396 5.405 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.256 5.392 1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.029 4.916 -0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.052 7.109 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.685 6.610 -2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.869 8.317 -1.716 1.00 0.00 H new ATOM 1117 N PRO A 70 -3.835 9.246 -1.162 1.00 0.00 N ATOM 1118 CA PRO A 70 -5.300 9.446 -1.134 1.00 0.00 C ATOM 1119 C PRO A 70 -6.032 8.105 -1.267 1.00 0.00 C ATOM 1120 O PRO A 70 -5.754 7.321 -2.152 1.00 0.00 O ATOM 1121 CB PRO A 70 -5.556 10.323 -2.354 1.00 0.00 C ATOM 1122 CG PRO A 70 -4.417 10.053 -3.294 1.00 0.00 C ATOM 1123 CD PRO A 70 -3.280 9.452 -2.500 1.00 0.00 C ATOM 0 HA PRO A 70 -5.654 9.892 -0.204 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.512 10.080 -2.817 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.594 11.377 -2.078 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.730 9.371 -4.085 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.097 10.976 -3.778 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.943 8.513 -2.939 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.418 10.119 -2.474 1.00 0.00 H new ATOM 1131 N VAL A 71 -6.969 7.838 -0.397 1.00 0.00 N ATOM 1132 CA VAL A 71 -7.720 6.550 -0.482 1.00 0.00 C ATOM 1133 C VAL A 71 -8.533 6.502 -1.777 1.00 0.00 C ATOM 1134 O VAL A 71 -9.725 6.736 -1.778 1.00 0.00 O ATOM 1135 CB VAL A 71 -8.654 6.546 0.727 1.00 0.00 C ATOM 1136 CG1 VAL A 71 -9.354 7.901 0.829 1.00 0.00 C ATOM 1137 CG2 VAL A 71 -9.703 5.444 0.556 1.00 0.00 C ATOM 0 H VAL A 71 -7.247 8.454 0.367 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.054 5.687 -0.484 1.00 0.00 H new ATOM 0 HB VAL A 71 -8.078 6.362 1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -10.021 7.902 1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.609 8.688 0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.932 8.081 -0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.370 5.440 1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.281 5.629 -0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.206 4.477 0.478 1.00 0.00 H new ATOM 1147 N THR A 72 -7.895 6.204 -2.875 1.00 0.00 N ATOM 1148 CA THR A 72 -8.623 6.140 -4.178 1.00 0.00 C ATOM 1149 C THR A 72 -10.053 5.628 -3.972 1.00 0.00 C ATOM 1150 O THR A 72 -10.336 4.905 -3.037 1.00 0.00 O ATOM 1151 CB THR A 72 -7.822 5.153 -5.027 1.00 0.00 C ATOM 1152 OG1 THR A 72 -6.466 5.159 -4.603 1.00 0.00 O ATOM 1153 CG2 THR A 72 -7.900 5.560 -6.499 1.00 0.00 C ATOM 0 H THR A 72 -6.897 6.001 -2.928 1.00 0.00 H new ATOM 0 HA THR A 72 -8.705 7.119 -4.650 1.00 0.00 H new ATOM 0 HB THR A 72 -8.237 4.152 -4.908 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.372 4.605 -3.800 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.328 4.855 -7.102 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.941 5.555 -6.823 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.487 6.561 -6.622 1.00 0.00 H new ATOM 1161 N ALA A 73 -10.953 5.997 -4.841 1.00 0.00 N ATOM 1162 CA ALA A 73 -12.363 5.532 -4.699 1.00 0.00 C ATOM 1163 C ALA A 73 -12.769 4.698 -5.917 1.00 0.00 C ATOM 1164 O ALA A 73 -13.521 5.140 -6.762 1.00 0.00 O ATOM 1165 CB ALA A 73 -13.196 6.813 -4.625 1.00 0.00 C ATOM 0 H ALA A 73 -10.774 6.600 -5.644 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.504 4.902 -3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.250 6.556 -4.519 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.879 7.404 -3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.054 7.393 -5.537 1.00 0.00 H new ATOM 1171 N ARG A 74 -12.275 3.495 -6.013 1.00 0.00 N ATOM 1172 CA ARG A 74 -12.630 2.632 -7.176 1.00 0.00 C ATOM 1173 C ARG A 74 -12.549 3.437 -8.476 1.00 0.00 C ATOM 1174 CB ARG A 74 -14.067 2.182 -6.913 1.00 0.00 C ATOM 1175 CG ARG A 74 -14.622 1.494 -8.162 1.00 0.00 C ATOM 1176 CD ARG A 74 -13.717 0.321 -8.545 1.00 0.00 C ATOM 1177 NE ARG A 74 -13.321 0.589 -9.956 1.00 0.00 N ATOM 1178 CZ ARG A 74 -13.620 -0.270 -10.892 1.00 0.00 C ATOM 1179 NH1 ARG A 74 -12.904 -1.350 -11.040 1.00 0.00 N ATOM 1180 NH2 ARG A 74 -14.636 -0.048 -11.681 1.00 0.00 N ATOM 0 H ARG A 74 -11.640 3.071 -5.336 1.00 0.00 H new ATOM 0 HA ARG A 74 -11.952 1.786 -7.284 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -14.096 1.498 -6.065 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -14.686 3.040 -6.652 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -15.635 1.139 -7.974 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -14.681 2.205 -8.986 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -12.845 0.265 -7.893 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -14.243 -0.630 -8.456 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.816 1.444 -10.191 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.110 -1.524 -10.424 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.138 -2.021 -11.772 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -15.196 0.797 -11.566 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -14.870 -0.719 -12.413 1.00 0.00 H new TER 1194 ARG A 74