USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=17 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 30 SER OG : rot 117:sc= 0.84 USER MOD Set 1.2: A 72 THR OG1 : rot 76:sc= 0.316 USER MOD Single : A 1 GLY N :NH3+ -178:sc= -0.109 (180deg=-0.129) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0.0464 USER MOD Single : A 9 HIS : no HD1:sc= -0.084 X(o=-0.084,f=-0.2) USER MOD Single : A 13 LYS NZ :NH3+ 148:sc= -0.0998 (180deg=-0.831) USER MOD Single : A 18 TYR OH : rot -152:sc= 0.801 USER MOD Single : A 19 GLN : amide:sc= -15.3! C(o=-15!,f=-19!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.7) 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 180:sc= -0.691 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 39 SER OG : rot 95:sc= 0.0546 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 170:sc= 0.608 USER MOD Single : A 48 LYS NZ :NH3+ -126:sc= 0.704 (180deg=-0.267) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 57 LYS NZ :NH3+ -166:sc= -0.243 (180deg=-0.774) USER MOD Single : A 58 SER OG : rot -121:sc= 0.942 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.66 K(o=-0.66,f=-4.6!) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.289 -29.938 -11.648 1.00 0.00 N ATOM 2 CA GLY A 1 -5.188 -31.211 -12.416 1.00 0.00 C ATOM 3 C GLY A 1 -6.045 -32.285 -11.744 1.00 0.00 C ATOM 4 O GLY A 1 -6.242 -33.359 -12.276 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.733 -29.200 -12.125 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.285 -29.642 -11.596 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.920 -30.082 -10.686 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.521 -31.056 -13.442 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.149 -31.537 -12.463 1.00 0.00 H new ATOM 7 N ASP A 2 -6.558 -32.004 -10.578 1.00 0.00 N ATOM 8 CA ASP A 2 -7.403 -33.012 -9.874 1.00 0.00 C ATOM 9 C ASP A 2 -8.112 -32.368 -8.679 1.00 0.00 C ATOM 10 O ASP A 2 -7.594 -31.466 -8.050 1.00 0.00 O ATOM 11 CB ASP A 2 -6.425 -34.088 -9.401 1.00 0.00 C ATOM 12 CG ASP A 2 -7.108 -34.979 -8.363 1.00 0.00 C ATOM 13 OD1 ASP A 2 -8.257 -35.327 -8.574 1.00 0.00 O ATOM 14 OD2 ASP A 2 -6.469 -35.298 -7.373 1.00 0.00 O ATOM 0 H ASP A 2 -6.430 -31.122 -10.082 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.180 -33.422 -10.520 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -6.091 -34.688 -10.247 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -5.538 -33.624 -8.970 1.00 0.00 H new ATOM 19 N THR A 3 -9.292 -32.825 -8.361 1.00 0.00 N ATOM 20 CA THR A 3 -10.032 -32.239 -7.207 1.00 0.00 C ATOM 21 C THR A 3 -11.246 -33.106 -6.862 1.00 0.00 C ATOM 22 O THR A 3 -12.359 -32.814 -7.250 1.00 0.00 O ATOM 23 CB THR A 3 -10.478 -30.855 -7.682 1.00 0.00 C ATOM 24 OG1 THR A 3 -11.155 -30.190 -6.626 1.00 0.00 O ATOM 25 CG2 THR A 3 -11.419 -31.003 -8.880 1.00 0.00 C ATOM 0 H THR A 3 -9.776 -33.578 -8.850 1.00 0.00 H new ATOM 0 HA THR A 3 -9.417 -32.182 -6.309 1.00 0.00 H new ATOM 0 HB THR A 3 -9.605 -30.273 -7.978 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.440 -29.302 -6.928 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.736 -30.016 -9.218 1.00 0.00 H new ATOM 0 HG22 THR A 3 -10.899 -31.514 -9.690 1.00 0.00 H new ATOM 0 HG23 THR A 3 -12.293 -31.584 -8.586 1.00 0.00 H new ATOM 33 N LEU A 4 -11.040 -34.172 -6.137 1.00 0.00 N ATOM 34 CA LEU A 4 -12.183 -35.055 -5.770 1.00 0.00 C ATOM 35 C LEU A 4 -12.374 -35.069 -4.250 1.00 0.00 C ATOM 36 O LEU A 4 -11.655 -35.732 -3.529 1.00 0.00 O ATOM 37 CB LEU A 4 -11.786 -36.444 -6.272 1.00 0.00 C ATOM 38 CG LEU A 4 -13.030 -37.181 -6.769 1.00 0.00 C ATOM 39 CD1 LEU A 4 -13.257 -36.858 -8.247 1.00 0.00 C ATOM 40 CD2 LEU A 4 -12.828 -38.690 -6.604 1.00 0.00 C ATOM 0 H LEU A 4 -10.131 -34.469 -5.783 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.123 -34.716 -6.205 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.056 -36.357 -7.077 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.311 -37.010 -5.471 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.897 -36.863 -6.189 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -14.144 -37.383 -8.602 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -13.399 -35.784 -8.367 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.390 -37.177 -8.826 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.714 -39.217 -6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.962 -39.007 -7.185 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.664 -38.922 -5.552 1.00 0.00 H new ATOM 52 N GLY A 5 -13.340 -34.341 -3.759 1.00 0.00 N ATOM 53 CA GLY A 5 -13.577 -34.311 -2.288 1.00 0.00 C ATOM 54 C GLY A 5 -12.979 -33.033 -1.698 1.00 0.00 C ATOM 55 O GLY A 5 -13.506 -31.952 -1.873 1.00 0.00 O ATOM 0 H GLY A 5 -13.975 -33.766 -4.313 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -14.646 -34.354 -2.081 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.126 -35.186 -1.819 1.00 0.00 H new ATOM 59 N ALA A 6 -11.882 -33.147 -1.000 1.00 0.00 N ATOM 60 CA ALA A 6 -11.252 -31.936 -0.400 1.00 0.00 C ATOM 61 C ALA A 6 -12.291 -31.134 0.387 1.00 0.00 C ATOM 62 O ALA A 6 -13.312 -31.652 0.793 1.00 0.00 O ATOM 63 CB ALA A 6 -10.738 -31.127 -1.591 1.00 0.00 C ATOM 0 H ALA A 6 -11.395 -34.025 -0.819 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.453 -32.188 0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.259 -30.216 -1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.015 -31.721 -2.150 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.573 -30.866 -2.241 1.00 0.00 H new ATOM 69 N SER A 7 -12.040 -29.872 0.605 1.00 0.00 N ATOM 70 CA SER A 7 -13.015 -29.038 1.367 1.00 0.00 C ATOM 71 C SER A 7 -13.931 -28.281 0.402 1.00 0.00 C ATOM 72 O SER A 7 -13.952 -28.544 -0.785 1.00 0.00 O ATOM 73 CB SER A 7 -12.158 -28.061 2.170 1.00 0.00 C ATOM 74 OG SER A 7 -11.255 -27.398 1.295 1.00 0.00 O ATOM 0 H SER A 7 -11.203 -29.382 0.289 1.00 0.00 H new ATOM 0 HA SER A 7 -13.658 -29.639 2.010 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.793 -27.333 2.675 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.606 -28.595 2.944 1.00 0.00 H new ATOM 0 HG SER A 7 -10.705 -26.769 1.808 1.00 0.00 H new ATOM 80 N TRP A 8 -14.689 -27.344 0.902 1.00 0.00 N ATOM 81 CA TRP A 8 -15.605 -26.571 0.014 1.00 0.00 C ATOM 82 C TRP A 8 -14.799 -25.794 -1.031 1.00 0.00 C ATOM 83 O TRP A 8 -13.630 -26.047 -1.242 1.00 0.00 O ATOM 84 CB TRP A 8 -16.342 -25.610 0.946 1.00 0.00 C ATOM 85 CG TRP A 8 -17.799 -25.613 0.615 1.00 0.00 C ATOM 86 CD1 TRP A 8 -18.314 -25.792 -0.623 1.00 0.00 C ATOM 87 CD2 TRP A 8 -18.936 -25.432 1.507 1.00 0.00 C ATOM 88 NE1 TRP A 8 -19.693 -25.733 -0.548 1.00 0.00 N ATOM 89 CE2 TRP A 8 -20.125 -25.512 0.745 1.00 0.00 C ATOM 90 CE3 TRP A 8 -19.050 -25.207 2.892 1.00 0.00 C ATOM 91 CZ2 TRP A 8 -21.383 -25.375 1.335 1.00 0.00 C ATOM 92 CZ3 TRP A 8 -20.314 -25.069 3.488 1.00 0.00 C ATOM 93 CH2 TRP A 8 -21.478 -25.152 2.711 1.00 0.00 C ATOM 0 H TRP A 8 -14.714 -27.080 1.887 1.00 0.00 H new ATOM 0 HA TRP A 8 -16.293 -27.217 -0.532 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -16.194 -25.908 1.984 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -15.937 -24.603 0.842 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -17.741 -25.955 -1.524 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -20.315 -25.840 -1.349 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -18.160 -25.140 3.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -22.276 -25.441 0.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -20.390 -24.898 4.552 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -22.447 -25.044 3.176 1.00 0.00 H new ATOM 104 N HIS A 9 -15.416 -24.849 -1.686 1.00 0.00 N ATOM 105 CA HIS A 9 -14.686 -24.055 -2.716 1.00 0.00 C ATOM 106 C HIS A 9 -14.427 -22.634 -2.207 1.00 0.00 C ATOM 107 O HIS A 9 -15.193 -21.725 -2.456 1.00 0.00 O ATOM 108 CB HIS A 9 -15.618 -24.029 -3.929 1.00 0.00 C ATOM 109 CG HIS A 9 -15.095 -24.967 -4.982 1.00 0.00 C ATOM 110 ND1 HIS A 9 -13.823 -24.840 -5.521 1.00 0.00 N ATOM 111 CD2 HIS A 9 -15.660 -26.051 -5.607 1.00 0.00 C ATOM 112 CE1 HIS A 9 -13.667 -25.823 -6.426 1.00 0.00 C ATOM 113 NE2 HIS A 9 -14.757 -26.589 -6.519 1.00 0.00 N ATOM 0 H HIS A 9 -16.394 -24.592 -1.553 1.00 0.00 H new ATOM 0 HA HIS A 9 -13.714 -24.486 -2.957 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -16.625 -24.322 -3.634 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -15.685 -23.017 -4.329 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -16.654 -26.429 -5.419 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -12.769 -25.974 -7.007 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.897 -27.395 -7.128 1.00 0.00 H new ATOM 121 N ARG A 10 -13.350 -22.437 -1.495 1.00 0.00 N ATOM 122 CA ARG A 10 -13.042 -21.074 -0.972 1.00 0.00 C ATOM 123 C ARG A 10 -11.633 -20.653 -1.399 1.00 0.00 C ATOM 124 O ARG A 10 -10.672 -20.903 -0.701 1.00 0.00 O ATOM 125 CB ARG A 10 -13.127 -21.206 0.549 1.00 0.00 C ATOM 126 CG ARG A 10 -14.589 -21.357 0.968 1.00 0.00 C ATOM 127 CD ARG A 10 -15.365 -20.094 0.587 1.00 0.00 C ATOM 128 NE ARG A 10 -16.442 -20.566 -0.326 1.00 0.00 N ATOM 129 CZ ARG A 10 -17.661 -20.124 -0.180 1.00 0.00 C ATOM 130 NH1 ARG A 10 -18.355 -20.462 0.872 1.00 0.00 N ATOM 131 NH2 ARG A 10 -18.186 -19.347 -1.088 1.00 0.00 N ATOM 0 H ARG A 10 -12.671 -23.159 -1.253 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.728 -20.318 -1.353 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.551 -22.070 0.882 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.690 -20.328 1.026 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.029 -22.227 0.481 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.654 -21.526 2.043 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -15.780 -19.605 1.468 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.719 -19.367 0.094 1.00 0.00 H new ATOM 0 HE ARG A 10 -16.227 -21.235 -1.066 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -17.945 -21.071 1.580 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -19.308 -20.117 0.987 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -17.643 -19.086 -1.911 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -19.139 -19.001 -0.974 1.00 0.00 H new ATOM 145 N PRO A 11 -11.563 -20.023 -2.541 1.00 0.00 N ATOM 146 CA PRO A 11 -10.260 -19.558 -3.077 1.00 0.00 C ATOM 147 C PRO A 11 -9.757 -18.347 -2.287 1.00 0.00 C ATOM 148 O PRO A 11 -10.295 -17.999 -1.255 1.00 0.00 O ATOM 149 CB PRO A 11 -10.585 -19.171 -4.517 1.00 0.00 C ATOM 150 CG PRO A 11 -12.047 -18.854 -4.514 1.00 0.00 C ATOM 151 CD PRO A 11 -12.680 -19.690 -3.431 1.00 0.00 C ATOM 0 HA PRO A 11 -9.475 -20.311 -3.009 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.996 -18.312 -4.837 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.360 -19.986 -5.205 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.211 -17.793 -4.326 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.492 -19.079 -5.483 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.459 -19.138 -2.905 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.146 -20.587 -3.840 1.00 0.00 H new ATOM 159 N ASP A 12 -8.727 -17.702 -2.765 1.00 0.00 N ATOM 160 CA ASP A 12 -8.188 -16.514 -2.043 1.00 0.00 C ATOM 161 C ASP A 12 -7.693 -15.468 -3.045 1.00 0.00 C ATOM 162 O ASP A 12 -6.771 -14.724 -2.776 1.00 0.00 O ATOM 163 CB ASP A 12 -7.026 -17.052 -1.210 1.00 0.00 C ATOM 164 CG ASP A 12 -6.947 -16.290 0.114 1.00 0.00 C ATOM 165 OD1 ASP A 12 -7.724 -16.600 1.001 1.00 0.00 O ATOM 166 OD2 ASP A 12 -6.111 -15.408 0.218 1.00 0.00 O ATOM 0 H ASP A 12 -8.235 -17.947 -3.625 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.942 -16.028 -1.424 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.163 -18.117 -1.021 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.091 -16.944 -1.760 1.00 0.00 H new ATOM 171 N LYS A 13 -8.297 -15.407 -4.200 1.00 0.00 N ATOM 172 CA LYS A 13 -7.859 -14.411 -5.219 1.00 0.00 C ATOM 173 C LYS A 13 -8.422 -13.027 -4.885 1.00 0.00 C ATOM 174 O LYS A 13 -9.563 -12.724 -5.170 1.00 0.00 O ATOM 175 CB LYS A 13 -8.434 -14.919 -6.542 1.00 0.00 C ATOM 176 CG LYS A 13 -7.486 -14.549 -7.685 1.00 0.00 C ATOM 177 CD LYS A 13 -6.625 -15.761 -8.045 1.00 0.00 C ATOM 178 CE LYS A 13 -5.189 -15.305 -8.313 1.00 0.00 C ATOM 179 NZ LYS A 13 -4.653 -14.920 -6.978 1.00 0.00 N ATOM 0 H LYS A 13 -9.075 -16.004 -4.482 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.774 -14.310 -5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.568 -16.000 -6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.418 -14.482 -6.715 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.057 -14.224 -8.555 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.851 -13.713 -7.390 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.642 -16.487 -7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.030 -16.260 -8.926 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.598 -16.104 -8.760 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.164 -14.464 -9.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.632 -15.117 -6.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.815 -13.905 -6.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.137 -15.468 -6.238 1.00 0.00 H new ATOM 193 N CYS A 14 -7.627 -12.184 -4.285 1.00 0.00 N ATOM 194 CA CYS A 14 -8.113 -10.818 -3.933 1.00 0.00 C ATOM 195 C CYS A 14 -6.937 -9.874 -3.672 1.00 0.00 C ATOM 196 O CYS A 14 -7.029 -8.682 -3.888 1.00 0.00 O ATOM 197 CB CYS A 14 -8.945 -10.999 -2.663 1.00 0.00 C ATOM 198 SG CYS A 14 -10.673 -11.297 -3.110 1.00 0.00 S ATOM 0 H CYS A 14 -6.661 -12.381 -4.023 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.695 -10.377 -4.742 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.560 -11.835 -2.079 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.869 -10.111 -2.036 1.00 0.00 H new ATOM 203 N CYS A 15 -5.835 -10.390 -3.204 1.00 0.00 N ATOM 204 CA CYS A 15 -4.668 -9.504 -2.927 1.00 0.00 C ATOM 205 C CYS A 15 -3.409 -10.330 -2.651 1.00 0.00 C ATOM 206 O CYS A 15 -3.426 -11.544 -2.685 1.00 0.00 O ATOM 207 CB CYS A 15 -5.066 -8.719 -1.678 1.00 0.00 C ATOM 208 SG CYS A 15 -5.004 -6.947 -2.034 1.00 0.00 S ATOM 0 H CYS A 15 -5.691 -11.379 -3.002 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.438 -8.857 -3.774 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -6.070 -9.002 -1.362 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.393 -8.959 -0.855 1.00 0.00 H new ATOM 213 N LEU A 16 -2.318 -9.670 -2.369 1.00 0.00 N ATOM 214 CA LEU A 16 -1.049 -10.397 -2.075 1.00 0.00 C ATOM 215 C LEU A 16 -1.025 -10.817 -0.606 1.00 0.00 C ATOM 216 O LEU A 16 0.012 -11.124 -0.053 1.00 0.00 O ATOM 217 CB LEU A 16 0.057 -9.376 -2.341 1.00 0.00 C ATOM 218 CG LEU A 16 0.722 -9.677 -3.685 1.00 0.00 C ATOM 219 CD1 LEU A 16 1.224 -8.374 -4.310 1.00 0.00 C ATOM 220 CD2 LEU A 16 1.904 -10.625 -3.466 1.00 0.00 C ATOM 0 H LEU A 16 -2.251 -8.653 -2.329 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.935 -11.297 -2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.358 -8.368 -2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.797 -9.411 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.002 -10.144 -4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.698 -8.589 -5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.384 -7.697 -4.465 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.949 -7.906 -3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.379 -10.841 -4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.627 -10.156 -2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.548 -11.554 -3.020 1.00 0.00 H new ATOM 232 N GLY A 17 -2.159 -10.808 0.036 1.00 0.00 N ATOM 233 CA GLY A 17 -2.200 -11.177 1.474 1.00 0.00 C ATOM 234 C GLY A 17 -1.750 -9.964 2.282 1.00 0.00 C ATOM 235 O GLY A 17 -2.495 -9.425 3.064 1.00 0.00 O ATOM 0 H GLY A 17 -3.059 -10.561 -0.375 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.208 -11.475 1.763 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.548 -12.028 1.668 1.00 0.00 H new ATOM 239 N TYR A 18 -0.531 -9.540 2.066 1.00 0.00 N ATOM 240 CA TYR A 18 0.037 -8.349 2.768 1.00 0.00 C ATOM 241 C TYR A 18 1.483 -8.144 2.314 1.00 0.00 C ATOM 242 O TYR A 18 2.294 -9.048 2.363 1.00 0.00 O ATOM 243 CB TYR A 18 -0.026 -8.670 4.258 1.00 0.00 C ATOM 244 CG TYR A 18 -1.331 -8.175 4.854 1.00 0.00 C ATOM 245 CD1 TYR A 18 -2.303 -7.566 4.042 1.00 0.00 C ATOM 246 CD2 TYR A 18 -1.565 -8.319 6.227 1.00 0.00 C ATOM 247 CE1 TYR A 18 -3.501 -7.109 4.605 1.00 0.00 C ATOM 248 CE2 TYR A 18 -2.763 -7.862 6.788 1.00 0.00 C ATOM 249 CZ TYR A 18 -3.731 -7.258 5.977 1.00 0.00 C ATOM 250 OH TYR A 18 -4.912 -6.807 6.530 1.00 0.00 O ATOM 0 H TYR A 18 0.113 -9.984 1.412 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.512 -7.434 2.548 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.064 -9.746 4.408 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.815 -8.205 4.772 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.126 -7.450 2.983 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.819 -8.784 6.855 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.247 -6.641 3.980 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.941 -7.975 7.847 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.763 -6.568 7.469 1.00 0.00 H new ATOM 260 N GLN A 19 1.808 -6.968 1.861 1.00 0.00 N ATOM 261 CA GLN A 19 3.198 -6.709 1.391 1.00 0.00 C ATOM 262 C GLN A 19 4.214 -7.283 2.381 1.00 0.00 C ATOM 263 O GLN A 19 4.193 -6.981 3.558 1.00 0.00 O ATOM 264 CB GLN A 19 3.315 -5.183 1.299 1.00 0.00 C ATOM 265 CG GLN A 19 4.752 -4.743 1.568 1.00 0.00 C ATOM 266 CD GLN A 19 5.563 -4.874 0.282 1.00 0.00 C ATOM 267 OE1 GLN A 19 6.206 -3.934 -0.143 1.00 0.00 O ATOM 268 NE2 GLN A 19 5.566 -6.007 -0.357 1.00 0.00 N ATOM 0 H GLN A 19 1.172 -6.173 1.795 1.00 0.00 H new ATOM 0 HA GLN A 19 3.403 -7.184 0.431 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.004 -4.847 0.310 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.644 -4.716 2.020 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.770 -3.712 1.920 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.192 -5.356 2.354 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.026 -6.795 0.000 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.108 -6.107 -1.215 1.00 0.00 H new ATOM 277 N LYS A 20 5.111 -8.097 1.903 1.00 0.00 N ATOM 278 CA LYS A 20 6.146 -8.683 2.802 1.00 0.00 C ATOM 279 C LYS A 20 7.372 -7.769 2.825 1.00 0.00 C ATOM 280 O LYS A 20 7.949 -7.507 3.861 1.00 0.00 O ATOM 281 CB LYS A 20 6.494 -10.038 2.182 1.00 0.00 C ATOM 282 CG LYS A 20 6.206 -11.150 3.193 1.00 0.00 C ATOM 283 CD LYS A 20 6.548 -12.506 2.571 1.00 0.00 C ATOM 284 CE LYS A 20 5.271 -13.333 2.415 1.00 0.00 C ATOM 285 NZ LYS A 20 5.186 -14.147 3.660 1.00 0.00 N ATOM 0 H LYS A 20 5.174 -8.384 0.926 1.00 0.00 H new ATOM 0 HA LYS A 20 5.799 -8.792 3.830 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.910 -10.196 1.275 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.545 -10.058 1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.793 -10.994 4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.156 -11.127 3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.022 -12.363 1.600 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.263 -13.037 3.200 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.397 -12.692 2.302 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.317 -13.968 1.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.334 -14.742 3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.028 -14.752 3.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.136 -13.516 4.485 1.00 0.00 H new ATOM 299 N ARG A 21 7.760 -7.271 1.683 1.00 0.00 N ATOM 300 CA ARG A 21 8.934 -6.356 1.621 1.00 0.00 C ATOM 301 C ARG A 21 8.499 -4.941 1.985 1.00 0.00 C ATOM 302 O ARG A 21 7.340 -4.601 1.889 1.00 0.00 O ATOM 303 CB ARG A 21 9.407 -6.415 0.168 1.00 0.00 C ATOM 304 CG ARG A 21 9.757 -7.859 -0.199 1.00 0.00 C ATOM 305 CD ARG A 21 10.226 -7.916 -1.655 1.00 0.00 C ATOM 306 NE ARG A 21 11.490 -8.701 -1.621 1.00 0.00 N ATOM 307 CZ ARG A 21 11.850 -9.405 -2.660 1.00 0.00 C ATOM 308 NH1 ARG A 21 11.922 -8.845 -3.837 1.00 0.00 N ATOM 309 NH2 ARG A 21 12.139 -10.671 -2.522 1.00 0.00 N ATOM 0 H ARG A 21 7.312 -7.460 0.786 1.00 0.00 H new ATOM 0 HA ARG A 21 9.725 -6.641 2.314 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.627 -6.039 -0.495 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.277 -5.773 0.032 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.539 -8.234 0.461 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.888 -8.502 -0.060 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.481 -8.394 -2.291 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.393 -6.916 -2.056 1.00 0.00 H new ATOM 0 HE ARG A 21 12.075 -8.689 -0.786 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.697 -7.856 -3.946 1.00 0.00 H new ATOM 0 HH12 ARG A 21 12.203 -9.396 -4.648 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.083 -11.110 -1.603 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.420 -11.221 -3.333 1.00 0.00 H new ATOM 323 N PRO A 22 9.450 -4.163 2.390 1.00 0.00 N ATOM 324 CA PRO A 22 9.168 -2.763 2.768 1.00 0.00 C ATOM 325 C PRO A 22 8.828 -1.934 1.537 1.00 0.00 C ATOM 326 O PRO A 22 9.455 -2.041 0.501 1.00 0.00 O ATOM 327 CB PRO A 22 10.461 -2.295 3.412 1.00 0.00 C ATOM 328 CG PRO A 22 11.521 -3.191 2.851 1.00 0.00 C ATOM 329 CD PRO A 22 10.864 -4.506 2.534 1.00 0.00 C ATOM 0 HA PRO A 22 8.313 -2.664 3.436 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.663 -1.250 3.177 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.412 -2.374 4.498 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.961 -2.754 1.955 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.330 -3.327 3.569 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.265 -4.943 1.620 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.020 -5.234 3.330 1.00 0.00 H new ATOM 337 N LEU A 23 7.827 -1.116 1.646 1.00 0.00 N ATOM 338 CA LEU A 23 7.417 -0.278 0.491 1.00 0.00 C ATOM 339 C LEU A 23 7.399 1.202 0.870 1.00 0.00 C ATOM 340 O LEU A 23 6.808 1.589 1.858 1.00 0.00 O ATOM 341 CB LEU A 23 6.016 -0.760 0.143 1.00 0.00 C ATOM 342 CG LEU A 23 6.075 -1.531 -1.167 1.00 0.00 C ATOM 343 CD1 LEU A 23 4.746 -2.252 -1.400 1.00 0.00 C ATOM 344 CD2 LEU A 23 6.336 -0.550 -2.313 1.00 0.00 C ATOM 0 H LEU A 23 7.270 -0.990 2.491 1.00 0.00 H new ATOM 0 HA LEU A 23 8.107 -0.370 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.627 -1.396 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.337 0.088 0.052 1.00 0.00 H new ATOM 0 HG LEU A 23 6.877 -2.267 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.791 -2.803 -2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.560 -2.946 -0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.939 -1.521 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.380 -1.095 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.531 0.183 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.284 -0.039 -2.145 1.00 0.00 H new ATOM 356 N PRO A 24 8.054 1.982 0.055 1.00 0.00 N ATOM 357 CA PRO A 24 8.123 3.442 0.284 1.00 0.00 C ATOM 358 C PRO A 24 6.813 4.106 -0.148 1.00 0.00 C ATOM 359 O PRO A 24 5.877 3.448 -0.555 1.00 0.00 O ATOM 360 CB PRO A 24 9.273 3.889 -0.612 1.00 0.00 C ATOM 361 CG PRO A 24 9.351 2.860 -1.697 1.00 0.00 C ATOM 362 CD PRO A 24 8.784 1.574 -1.147 1.00 0.00 C ATOM 0 HA PRO A 24 8.274 3.707 1.330 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.088 4.881 -1.023 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.208 3.944 -0.054 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.788 3.183 -2.573 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.383 2.718 -2.016 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.124 1.091 -1.867 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.574 0.861 -0.909 1.00 0.00 H new ATOM 370 N GLN A 25 6.745 5.403 -0.065 1.00 0.00 N ATOM 371 CA GLN A 25 5.503 6.116 -0.473 1.00 0.00 C ATOM 372 C GLN A 25 5.795 7.046 -1.651 1.00 0.00 C ATOM 373 O GLN A 25 4.970 7.235 -2.524 1.00 0.00 O ATOM 374 CB GLN A 25 5.083 6.918 0.759 1.00 0.00 C ATOM 375 CG GLN A 25 3.777 7.659 0.465 1.00 0.00 C ATOM 376 CD GLN A 25 3.989 9.163 0.650 1.00 0.00 C ATOM 377 OE1 GLN A 25 4.454 9.601 1.685 1.00 0.00 O ATOM 378 NE2 GLN A 25 3.666 9.979 -0.316 1.00 0.00 N ATOM 0 H GLN A 25 7.499 6.004 0.269 1.00 0.00 H new ATOM 0 HA GLN A 25 4.718 5.432 -0.797 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.952 6.252 1.612 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.865 7.629 1.027 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.450 7.450 -0.553 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.989 7.308 1.132 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.276 9.612 -1.184 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.804 10.983 -0.203 1.00 0.00 H new ATOM 387 N VAL A 26 6.966 7.622 -1.689 1.00 0.00 N ATOM 388 CA VAL A 26 7.313 8.529 -2.812 1.00 0.00 C ATOM 389 C VAL A 26 7.381 7.735 -4.119 1.00 0.00 C ATOM 390 O VAL A 26 7.470 8.294 -5.194 1.00 0.00 O ATOM 391 CB VAL A 26 8.681 9.091 -2.436 1.00 0.00 C ATOM 392 CG1 VAL A 26 9.483 9.392 -3.698 1.00 0.00 C ATOM 393 CG2 VAL A 26 8.498 10.380 -1.631 1.00 0.00 C ATOM 0 H VAL A 26 7.697 7.501 -0.988 1.00 0.00 H new ATOM 0 HA VAL A 26 6.579 9.320 -2.967 1.00 0.00 H new ATOM 0 HB VAL A 26 9.218 8.356 -1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.458 9.793 -3.422 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.617 8.475 -4.272 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.948 10.124 -4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.475 10.783 -1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.957 11.111 -2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.931 10.166 -0.725 1.00 0.00 H new ATOM 403 N LEU A 27 7.338 6.435 -4.031 1.00 0.00 N ATOM 404 CA LEU A 27 7.397 5.600 -5.263 1.00 0.00 C ATOM 405 C LEU A 27 5.983 5.224 -5.712 1.00 0.00 C ATOM 406 O LEU A 27 5.737 4.972 -6.875 1.00 0.00 O ATOM 407 CB LEU A 27 8.182 4.350 -4.858 1.00 0.00 C ATOM 408 CG LEU A 27 8.816 3.720 -6.099 1.00 0.00 C ATOM 409 CD1 LEU A 27 10.210 4.312 -6.316 1.00 0.00 C ATOM 410 CD2 LEU A 27 8.934 2.208 -5.898 1.00 0.00 C ATOM 0 H LEU A 27 7.264 5.914 -3.157 1.00 0.00 H new ATOM 0 HA LEU A 27 7.867 6.123 -6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.955 4.612 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.520 3.634 -4.372 1.00 0.00 H new ATOM 0 HG LEU A 27 8.193 3.926 -6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.662 3.863 -7.200 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.130 5.390 -6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.833 4.105 -5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.386 1.758 -6.782 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.558 2.004 -5.028 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.942 1.783 -5.741 1.00 0.00 H new ATOM 422 N LEU A 28 5.051 5.181 -4.800 1.00 0.00 N ATOM 423 CA LEU A 28 3.659 4.819 -5.178 1.00 0.00 C ATOM 424 C LEU A 28 2.816 6.078 -5.387 1.00 0.00 C ATOM 425 O LEU A 28 3.207 7.166 -5.012 1.00 0.00 O ATOM 426 CB LEU A 28 3.126 4.017 -3.994 1.00 0.00 C ATOM 427 CG LEU A 28 4.117 2.908 -3.637 1.00 0.00 C ATOM 428 CD1 LEU A 28 3.754 2.317 -2.273 1.00 0.00 C ATOM 429 CD2 LEU A 28 4.056 1.810 -4.700 1.00 0.00 C ATOM 0 H LEU A 28 5.195 5.381 -3.810 1.00 0.00 H new ATOM 0 HA LEU A 28 3.622 4.255 -6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.974 4.673 -3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.156 3.586 -4.241 1.00 0.00 H new ATOM 0 HG LEU A 28 5.125 3.321 -3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.461 1.527 -2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.796 3.099 -1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.746 1.904 -2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.762 1.019 -4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.048 1.398 -4.740 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.315 2.230 -5.672 1.00 0.00 H new ATOM 441 N SER A 29 1.662 5.942 -5.984 1.00 0.00 N ATOM 442 CA SER A 29 0.806 7.139 -6.211 1.00 0.00 C ATOM 443 C SER A 29 -0.237 7.285 -5.099 1.00 0.00 C ATOM 444 O SER A 29 -0.199 8.215 -4.318 1.00 0.00 O ATOM 445 CB SER A 29 0.123 6.893 -7.555 1.00 0.00 C ATOM 446 OG SER A 29 -0.621 8.048 -7.921 1.00 0.00 O ATOM 0 H SER A 29 1.278 5.059 -6.322 1.00 0.00 H new ATOM 0 HA SER A 29 1.391 8.059 -6.210 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.867 6.668 -8.319 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.536 6.027 -7.488 1.00 0.00 H new ATOM 0 HG SER A 29 -1.059 7.895 -8.784 1.00 0.00 H new ATOM 452 N SER A 30 -1.171 6.380 -5.029 1.00 0.00 N ATOM 453 CA SER A 30 -2.225 6.474 -3.974 1.00 0.00 C ATOM 454 C SER A 30 -2.581 5.082 -3.446 1.00 0.00 C ATOM 455 O SER A 30 -1.822 4.145 -3.581 1.00 0.00 O ATOM 456 CB SER A 30 -3.429 7.104 -4.673 1.00 0.00 C ATOM 457 OG SER A 30 -3.754 6.338 -5.828 1.00 0.00 O ATOM 0 H SER A 30 -1.253 5.579 -5.655 1.00 0.00 H new ATOM 0 HA SER A 30 -1.895 7.061 -3.117 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.281 7.140 -3.994 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.203 8.132 -4.956 1.00 0.00 H new ATOM 0 HG SER A 30 -4.650 5.955 -5.725 1.00 0.00 H new ATOM 463 N TRP A 31 -3.732 4.941 -2.844 1.00 0.00 N ATOM 464 CA TRP A 31 -4.140 3.608 -2.309 1.00 0.00 C ATOM 465 C TRP A 31 -5.659 3.538 -2.165 1.00 0.00 C ATOM 466 O TRP A 31 -6.337 4.544 -2.114 1.00 0.00 O ATOM 467 CB TRP A 31 -3.494 3.508 -0.930 1.00 0.00 C ATOM 468 CG TRP A 31 -4.066 4.562 -0.044 1.00 0.00 C ATOM 469 CD1 TRP A 31 -3.818 5.880 -0.170 1.00 0.00 C ATOM 470 CD2 TRP A 31 -4.972 4.419 1.088 1.00 0.00 C ATOM 471 NE1 TRP A 31 -4.502 6.562 0.819 1.00 0.00 N ATOM 472 CE2 TRP A 31 -5.233 5.705 1.619 1.00 0.00 C ATOM 473 CE3 TRP A 31 -5.585 3.312 1.703 1.00 0.00 C ATOM 474 CZ2 TRP A 31 -6.070 5.887 2.719 1.00 0.00 C ATOM 475 CZ3 TRP A 31 -6.431 3.493 2.810 1.00 0.00 C ATOM 476 CH2 TRP A 31 -6.673 4.777 3.316 1.00 0.00 C ATOM 0 H TRP A 31 -4.408 5.691 -2.699 1.00 0.00 H new ATOM 0 HA TRP A 31 -3.832 2.799 -2.971 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -3.671 2.521 -0.503 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -2.414 3.631 -1.011 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -3.187 6.331 -0.922 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -4.471 7.574 0.943 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.404 2.318 1.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.251 6.879 3.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -6.898 2.637 3.274 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -7.325 4.909 4.167 1.00 0.00 H new ATOM 487 N TYR A 32 -6.192 2.355 -2.072 1.00 0.00 N ATOM 488 CA TYR A 32 -7.665 2.215 -1.900 1.00 0.00 C ATOM 489 C TYR A 32 -7.971 0.972 -1.062 1.00 0.00 C ATOM 490 O TYR A 32 -7.345 -0.057 -1.216 1.00 0.00 O ATOM 491 CB TYR A 32 -8.248 2.134 -3.318 1.00 0.00 C ATOM 492 CG TYR A 32 -8.075 0.754 -3.903 1.00 0.00 C ATOM 493 CD1 TYR A 32 -8.739 -0.336 -3.335 1.00 0.00 C ATOM 494 CD2 TYR A 32 -7.266 0.572 -5.030 1.00 0.00 C ATOM 495 CE1 TYR A 32 -8.591 -1.611 -3.889 1.00 0.00 C ATOM 496 CE2 TYR A 32 -7.121 -0.702 -5.587 1.00 0.00 C ATOM 497 CZ TYR A 32 -7.783 -1.796 -5.016 1.00 0.00 C ATOM 498 OH TYR A 32 -7.641 -3.054 -5.566 1.00 0.00 O ATOM 0 H TYR A 32 -5.673 1.478 -2.107 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.110 3.054 -1.365 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.307 2.391 -3.293 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.757 2.867 -3.958 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.367 -0.194 -2.468 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.754 1.415 -5.469 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.101 -2.454 -3.447 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.498 -0.843 -6.458 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.047 -3.006 -6.344 1.00 0.00 H new ATOM 508 N PRO A 33 -8.913 1.132 -0.173 1.00 0.00 N ATOM 509 CA PRO A 33 -9.308 0.032 0.748 1.00 0.00 C ATOM 510 C PRO A 33 -9.950 -1.129 -0.019 1.00 0.00 C ATOM 511 O PRO A 33 -10.475 -0.957 -1.101 1.00 0.00 O ATOM 512 CB PRO A 33 -10.304 0.701 1.690 1.00 0.00 C ATOM 513 CG PRO A 33 -10.837 1.852 0.911 1.00 0.00 C ATOM 514 CD PRO A 33 -9.705 2.342 0.054 1.00 0.00 C ATOM 0 HA PRO A 33 -8.462 -0.409 1.275 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.100 0.015 1.979 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.820 1.033 2.609 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.685 1.547 0.298 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.191 2.640 1.575 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.064 2.770 -0.882 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.124 3.116 0.557 1.00 0.00 H new ATOM 522 N THR A 34 -9.905 -2.313 0.531 1.00 0.00 N ATOM 523 CA THR A 34 -10.499 -3.488 -0.175 1.00 0.00 C ATOM 524 C THR A 34 -11.773 -3.958 0.533 1.00 0.00 C ATOM 525 O THR A 34 -12.319 -3.273 1.375 1.00 0.00 O ATOM 526 CB THR A 34 -9.426 -4.582 -0.117 1.00 0.00 C ATOM 527 OG1 THR A 34 -9.749 -5.499 0.918 1.00 0.00 O ATOM 528 CG2 THR A 34 -8.052 -3.964 0.161 1.00 0.00 C ATOM 0 H THR A 34 -9.484 -2.518 1.437 1.00 0.00 H new ATOM 0 HA THR A 34 -10.779 -3.242 -1.199 1.00 0.00 H new ATOM 0 HB THR A 34 -9.393 -5.100 -1.076 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.067 -6.201 0.958 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.300 -4.752 0.200 1.00 0.00 H new ATOM 0 HG22 THR A 34 -7.801 -3.262 -0.634 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.076 -3.438 1.115 1.00 0.00 H new ATOM 536 N SER A 35 -12.255 -5.125 0.190 1.00 0.00 N ATOM 537 CA SER A 35 -13.499 -5.642 0.834 1.00 0.00 C ATOM 538 C SER A 35 -13.159 -6.700 1.886 1.00 0.00 C ATOM 539 O SER A 35 -12.028 -7.127 2.011 1.00 0.00 O ATOM 540 CB SER A 35 -14.299 -6.274 -0.304 1.00 0.00 C ATOM 541 OG SER A 35 -15.687 -6.164 -0.019 1.00 0.00 O ATOM 0 H SER A 35 -11.840 -5.742 -0.508 1.00 0.00 H new ATOM 0 HA SER A 35 -14.052 -4.852 1.342 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.069 -5.776 -1.246 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.022 -7.322 -0.421 1.00 0.00 H new ATOM 0 HG SER A 35 -16.204 -6.567 -0.748 1.00 0.00 H new ATOM 547 N GLN A 36 -14.135 -7.131 2.639 1.00 0.00 N ATOM 548 CA GLN A 36 -13.876 -8.169 3.679 1.00 0.00 C ATOM 549 C GLN A 36 -14.483 -9.505 3.243 1.00 0.00 C ATOM 550 O GLN A 36 -14.875 -10.317 4.059 1.00 0.00 O ATOM 551 CB GLN A 36 -14.569 -7.649 4.940 1.00 0.00 C ATOM 552 CG GLN A 36 -14.192 -8.531 6.134 1.00 0.00 C ATOM 553 CD GLN A 36 -15.254 -8.392 7.226 1.00 0.00 C ATOM 554 OE1 GLN A 36 -15.996 -7.320 7.263 1.00 0.00 O flip ATOM 555 NE2 GLN A 36 -15.410 -9.269 8.053 1.00 0.00 N flip ATOM 0 H GLN A 36 -15.101 -6.809 2.579 1.00 0.00 H new ATOM 0 HA GLN A 36 -12.812 -8.338 3.843 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -14.274 -6.617 5.130 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.650 -7.651 4.800 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -14.112 -9.572 5.820 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.216 -8.239 6.522 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.829 -10.107 8.023 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -16.122 -9.167 8.777 1.00 0.00 H new ATOM 564 N LEU A 37 -14.566 -9.741 1.963 1.00 0.00 N ATOM 565 CA LEU A 37 -15.150 -11.024 1.478 1.00 0.00 C ATOM 566 C LEU A 37 -14.067 -12.099 1.391 1.00 0.00 C ATOM 567 O LEU A 37 -14.282 -13.241 1.746 1.00 0.00 O ATOM 568 CB LEU A 37 -15.706 -10.707 0.090 1.00 0.00 C ATOM 569 CG LEU A 37 -16.682 -11.807 -0.332 1.00 0.00 C ATOM 570 CD1 LEU A 37 -18.028 -11.590 0.360 1.00 0.00 C ATOM 571 CD2 LEU A 37 -16.877 -11.762 -1.849 1.00 0.00 C ATOM 0 H LEU A 37 -14.255 -9.102 1.232 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.921 -11.406 2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -16.212 -9.742 0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -14.892 -10.632 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 37 -16.279 -12.778 -0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.723 -12.374 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -17.891 -11.622 1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -18.431 -10.619 0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -17.572 -12.546 -2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -17.279 -10.790 -2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.918 -11.918 -2.344 1.00 0.00 H new ATOM 583 N CYS A 38 -12.904 -11.743 0.922 1.00 0.00 N ATOM 584 CA CYS A 38 -11.808 -12.750 0.815 1.00 0.00 C ATOM 585 C CYS A 38 -11.126 -12.956 2.171 1.00 0.00 C ATOM 586 O CYS A 38 -11.660 -12.607 3.205 1.00 0.00 O ATOM 587 CB CYS A 38 -10.826 -12.175 -0.207 1.00 0.00 C ATOM 588 SG CYS A 38 -11.275 -12.765 -1.860 1.00 0.00 S ATOM 0 H CYS A 38 -12.664 -10.802 0.609 1.00 0.00 H new ATOM 0 HA CYS A 38 -12.184 -13.726 0.507 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -10.848 -11.086 -0.178 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.808 -12.480 0.037 1.00 0.00 H new ATOM 593 N SER A 39 -9.955 -13.534 2.168 1.00 0.00 N ATOM 594 CA SER A 39 -9.230 -13.785 3.449 1.00 0.00 C ATOM 595 C SER A 39 -9.473 -12.653 4.450 1.00 0.00 C ATOM 596 O SER A 39 -9.909 -12.879 5.561 1.00 0.00 O ATOM 597 CB SER A 39 -7.753 -13.842 3.060 1.00 0.00 C ATOM 598 OG SER A 39 -7.154 -14.983 3.660 1.00 0.00 O ATOM 0 H SER A 39 -9.466 -13.845 1.329 1.00 0.00 H new ATOM 0 HA SER A 39 -9.569 -14.702 3.932 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.652 -13.892 1.976 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.244 -12.935 3.386 1.00 0.00 H new ATOM 0 HG SER A 39 -7.162 -15.729 3.024 1.00 0.00 H new ATOM 604 N LYS A 40 -9.185 -11.443 4.071 1.00 0.00 N ATOM 605 CA LYS A 40 -9.391 -10.300 5.008 1.00 0.00 C ATOM 606 C LYS A 40 -9.186 -8.970 4.282 1.00 0.00 C ATOM 607 O LYS A 40 -8.315 -8.845 3.443 1.00 0.00 O ATOM 608 CB LYS A 40 -8.325 -10.489 6.091 1.00 0.00 C ATOM 609 CG LYS A 40 -8.897 -10.102 7.457 1.00 0.00 C ATOM 610 CD LYS A 40 -10.051 -11.041 7.817 1.00 0.00 C ATOM 611 CE LYS A 40 -11.085 -10.284 8.652 1.00 0.00 C ATOM 612 NZ LYS A 40 -10.821 -10.695 10.058 1.00 0.00 N ATOM 0 H LYS A 40 -8.816 -11.192 3.154 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.400 -10.280 5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.991 -11.526 6.108 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.452 -9.876 5.866 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.118 -10.159 8.218 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.248 -9.070 7.436 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.514 -11.429 6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.675 -11.899 8.375 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.979 -9.206 8.529 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.100 -10.540 8.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.492 -10.216 10.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.936 -11.725 10.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.850 -10.432 10.320 1.00 0.00 H new ATOM 626 N PRO A 41 -10.001 -8.016 4.638 1.00 0.00 N ATOM 627 CA PRO A 41 -9.921 -6.670 4.025 1.00 0.00 C ATOM 628 C PRO A 41 -8.670 -5.936 4.513 1.00 0.00 C ATOM 629 O PRO A 41 -8.182 -6.177 5.599 1.00 0.00 O ATOM 630 CB PRO A 41 -11.182 -5.973 4.517 1.00 0.00 C ATOM 631 CG PRO A 41 -11.533 -6.678 5.782 1.00 0.00 C ATOM 632 CD PRO A 41 -11.066 -8.101 5.640 1.00 0.00 C ATOM 0 HA PRO A 41 -9.854 -6.700 2.937 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.006 -4.911 4.691 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.987 -6.047 3.786 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.054 -6.199 6.636 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.608 -6.641 5.958 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.696 -8.498 6.585 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.873 -8.757 5.313 1.00 0.00 H new ATOM 640 N GLY A 42 -8.148 -5.041 3.722 1.00 0.00 N ATOM 641 CA GLY A 42 -6.932 -4.296 4.145 1.00 0.00 C ATOM 642 C GLY A 42 -6.759 -3.057 3.271 1.00 0.00 C ATOM 643 O GLY A 42 -7.714 -2.512 2.754 1.00 0.00 O ATOM 0 H GLY A 42 -8.511 -4.794 2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.017 -4.005 5.192 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.054 -4.937 4.063 1.00 0.00 H new ATOM 647 N VAL A 43 -5.548 -2.609 3.094 1.00 0.00 N ATOM 648 CA VAL A 43 -5.319 -1.411 2.244 1.00 0.00 C ATOM 649 C VAL A 43 -4.315 -1.737 1.146 1.00 0.00 C ATOM 650 O VAL A 43 -3.234 -2.229 1.402 1.00 0.00 O ATOM 651 CB VAL A 43 -4.759 -0.343 3.186 1.00 0.00 C ATOM 652 CG1 VAL A 43 -3.807 0.579 2.420 1.00 0.00 C ATOM 653 CG2 VAL A 43 -5.912 0.493 3.741 1.00 0.00 C ATOM 0 H VAL A 43 -4.708 -3.021 3.501 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.233 -1.073 1.755 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.221 -0.830 3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.412 1.337 3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.984 -0.007 2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.346 1.064 1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.518 1.256 4.413 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.442 0.973 2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.599 -0.153 4.288 1.00 0.00 H new ATOM 663 N ILE A 44 -4.660 -1.457 -0.074 1.00 0.00 N ATOM 664 CA ILE A 44 -3.722 -1.741 -1.185 1.00 0.00 C ATOM 665 C ILE A 44 -3.194 -0.424 -1.748 1.00 0.00 C ATOM 666 O ILE A 44 -3.890 0.572 -1.774 1.00 0.00 O ATOM 667 CB ILE A 44 -4.551 -2.484 -2.229 1.00 0.00 C ATOM 668 CG1 ILE A 44 -5.466 -1.494 -2.944 1.00 0.00 C ATOM 669 CG2 ILE A 44 -5.398 -3.553 -1.543 1.00 0.00 C ATOM 670 CD1 ILE A 44 -4.766 -0.978 -4.199 1.00 0.00 C ATOM 0 H ILE A 44 -5.551 -1.044 -0.349 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.860 -2.330 -0.871 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.886 -2.957 -2.952 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.406 -1.977 -3.210 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.710 -0.663 -2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.990 -4.083 -2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.746 -4.259 -1.029 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.064 -3.081 -0.820 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.416 -0.270 -4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.837 -0.481 -3.919 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.544 -1.814 -4.862 1.00 0.00 H new ATOM 682 N PHE A 45 -1.969 -0.400 -2.180 1.00 0.00 N ATOM 683 CA PHE A 45 -1.405 0.862 -2.717 1.00 0.00 C ATOM 684 C PHE A 45 -1.213 0.766 -4.231 1.00 0.00 C ATOM 685 O PHE A 45 -0.835 -0.261 -4.756 1.00 0.00 O ATOM 686 CB PHE A 45 -0.051 0.994 -2.024 1.00 0.00 C ATOM 687 CG PHE A 45 -0.248 1.197 -0.541 1.00 0.00 C ATOM 688 CD1 PHE A 45 -0.572 2.464 -0.042 1.00 0.00 C ATOM 689 CD2 PHE A 45 -0.102 0.116 0.338 1.00 0.00 C ATOM 690 CE1 PHE A 45 -0.751 2.650 1.334 1.00 0.00 C ATOM 691 CE2 PHE A 45 -0.281 0.302 1.713 1.00 0.00 C ATOM 692 CZ PHE A 45 -0.605 1.567 2.211 1.00 0.00 C ATOM 0 H PHE A 45 -1.335 -1.199 -2.184 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.058 1.716 -2.537 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.546 0.099 -2.201 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.502 1.834 -2.444 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.684 3.298 -0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.149 -0.862 -0.046 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.001 3.627 1.719 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.169 -0.532 2.390 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.743 1.710 3.273 1.00 0.00 H new ATOM 702 N LEU A 46 -1.450 1.837 -4.933 1.00 0.00 N ATOM 703 CA LEU A 46 -1.262 1.819 -6.407 1.00 0.00 C ATOM 704 C LEU A 46 -0.041 2.663 -6.764 1.00 0.00 C ATOM 705 O LEU A 46 0.070 3.808 -6.369 1.00 0.00 O ATOM 706 CB LEU A 46 -2.532 2.442 -6.987 1.00 0.00 C ATOM 707 CG LEU A 46 -3.224 1.445 -7.919 1.00 0.00 C ATOM 708 CD1 LEU A 46 -3.227 0.057 -7.277 1.00 0.00 C ATOM 709 CD2 LEU A 46 -4.666 1.895 -8.162 1.00 0.00 C ATOM 0 H LEU A 46 -1.767 2.727 -4.547 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.099 0.815 -6.798 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.208 2.728 -6.181 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.284 3.352 -7.534 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.688 1.404 -8.867 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.720 -0.651 -7.943 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.201 -0.265 -7.101 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.762 0.096 -6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.161 1.186 -8.826 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.199 1.936 -7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.666 2.883 -8.621 1.00 0.00 H new ATOM 721 N THR A 47 0.878 2.106 -7.494 1.00 0.00 N ATOM 722 CA THR A 47 2.100 2.874 -7.861 1.00 0.00 C ATOM 723 C THR A 47 1.727 4.117 -8.661 1.00 0.00 C ATOM 724 O THR A 47 0.638 4.640 -8.545 1.00 0.00 O ATOM 725 CB THR A 47 2.934 1.920 -8.720 1.00 0.00 C ATOM 726 OG1 THR A 47 2.329 1.782 -10.001 1.00 0.00 O ATOM 727 CG2 THR A 47 3.012 0.552 -8.040 1.00 0.00 C ATOM 0 H THR A 47 0.839 1.152 -7.854 1.00 0.00 H new ATOM 0 HA THR A 47 2.646 3.213 -6.981 1.00 0.00 H new ATOM 0 HB THR A 47 3.940 2.323 -8.836 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.940 1.306 -10.602 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.606 -0.126 -8.653 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.478 0.659 -7.061 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.007 0.147 -7.921 1.00 0.00 H new ATOM 735 N LYS A 48 2.630 4.583 -9.477 1.00 0.00 N ATOM 736 CA LYS A 48 2.349 5.780 -10.313 1.00 0.00 C ATOM 737 C LYS A 48 2.316 5.349 -11.778 1.00 0.00 C ATOM 738 O LYS A 48 2.288 6.159 -12.683 1.00 0.00 O ATOM 739 CB LYS A 48 3.519 6.728 -10.053 1.00 0.00 C ATOM 740 CG LYS A 48 3.237 7.559 -8.799 1.00 0.00 C ATOM 741 CD LYS A 48 4.561 8.016 -8.182 1.00 0.00 C ATOM 742 CE LYS A 48 4.489 9.510 -7.861 1.00 0.00 C ATOM 743 NZ LYS A 48 3.991 9.577 -6.459 1.00 0.00 N ATOM 0 H LYS A 48 3.559 4.181 -9.601 1.00 0.00 H new ATOM 0 HA LYS A 48 1.396 6.257 -10.082 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.440 6.159 -9.925 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.666 7.384 -10.911 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.624 8.424 -9.053 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.672 6.969 -8.078 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.766 7.448 -7.274 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.382 7.821 -8.872 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.467 9.982 -7.956 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.817 10.029 -8.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.151 10.189 -6.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.739 8.622 -6.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.734 9.967 -5.845 1.00 0.00 H new ATOM 757 N ARG A 49 2.330 4.063 -12.006 1.00 0.00 N ATOM 758 CA ARG A 49 2.312 3.535 -13.397 1.00 0.00 C ATOM 759 C ARG A 49 1.118 2.599 -13.597 1.00 0.00 C ATOM 760 O ARG A 49 0.119 2.966 -14.184 1.00 0.00 O ATOM 761 CB ARG A 49 3.624 2.764 -13.527 1.00 0.00 C ATOM 762 CG ARG A 49 4.718 3.697 -14.049 1.00 0.00 C ATOM 763 CD ARG A 49 4.982 4.802 -13.022 1.00 0.00 C ATOM 764 NE ARG A 49 6.350 5.298 -13.334 1.00 0.00 N ATOM 765 CZ ARG A 49 6.823 6.343 -12.709 1.00 0.00 C ATOM 766 NH1 ARG A 49 6.166 7.469 -12.731 1.00 0.00 N ATOM 767 NH2 ARG A 49 7.954 6.259 -12.064 1.00 0.00 N ATOM 0 H ARG A 49 2.353 3.349 -11.278 1.00 0.00 H new ATOM 0 HA ARG A 49 2.218 4.325 -14.142 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.913 2.353 -12.560 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.496 1.921 -14.206 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.632 3.134 -14.236 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.414 4.135 -15.000 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.245 5.601 -13.103 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.924 4.417 -12.004 1.00 0.00 H new ATOM 0 HE ARG A 49 6.918 4.822 -14.035 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.282 7.534 -13.236 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.536 8.285 -12.243 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.468 5.378 -12.048 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.324 7.074 -11.576 1.00 0.00 H new ATOM 781 N GLY A 50 1.215 1.392 -13.114 1.00 0.00 N ATOM 782 CA GLY A 50 0.088 0.430 -13.279 1.00 0.00 C ATOM 783 C GLY A 50 0.325 -0.803 -12.403 1.00 0.00 C ATOM 784 O GLY A 50 0.111 -1.924 -12.822 1.00 0.00 O ATOM 0 H GLY A 50 2.025 1.029 -12.612 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.853 0.907 -13.004 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.001 0.133 -14.324 1.00 0.00 H new ATOM 788 N ARG A 51 0.759 -0.608 -11.188 1.00 0.00 N ATOM 789 CA ARG A 51 1.002 -1.771 -10.286 1.00 0.00 C ATOM 790 C ARG A 51 0.274 -1.563 -8.955 1.00 0.00 C ATOM 791 O ARG A 51 0.227 -0.469 -8.429 1.00 0.00 O ATOM 792 CB ARG A 51 2.515 -1.802 -10.073 1.00 0.00 C ATOM 793 CG ARG A 51 3.093 -3.068 -10.707 1.00 0.00 C ATOM 794 CD ARG A 51 2.514 -4.301 -10.009 1.00 0.00 C ATOM 795 NE ARG A 51 2.043 -5.182 -11.114 1.00 0.00 N ATOM 796 CZ ARG A 51 1.257 -6.191 -10.854 1.00 0.00 C ATOM 797 NH1 ARG A 51 1.746 -7.280 -10.327 1.00 0.00 N ATOM 798 NH2 ARG A 51 -0.017 -6.113 -11.124 1.00 0.00 N ATOM 0 H ARG A 51 0.956 0.306 -10.780 1.00 0.00 H new ATOM 0 HA ARG A 51 0.634 -2.706 -10.708 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.974 -0.918 -10.517 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.744 -1.779 -9.007 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.856 -3.095 -11.771 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.180 -3.066 -10.622 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.267 -4.800 -9.400 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.694 -4.030 -9.344 1.00 0.00 H new ATOM 0 HE ARG A 51 2.335 -4.997 -12.074 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.742 -7.343 -10.118 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.132 -8.069 -10.124 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.399 -5.263 -11.539 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.631 -6.902 -10.921 1.00 0.00 H new ATOM 812 N GLN A 52 -0.305 -2.599 -8.413 1.00 0.00 N ATOM 813 CA GLN A 52 -1.037 -2.453 -7.129 1.00 0.00 C ATOM 814 C GLN A 52 -0.283 -3.150 -5.993 1.00 0.00 C ATOM 815 O GLN A 52 0.493 -4.059 -6.209 1.00 0.00 O ATOM 816 CB GLN A 52 -2.381 -3.138 -7.366 1.00 0.00 C ATOM 817 CG GLN A 52 -2.804 -2.964 -8.828 1.00 0.00 C ATOM 818 CD GLN A 52 -4.210 -3.532 -9.022 1.00 0.00 C ATOM 819 OE1 GLN A 52 -5.184 -2.930 -8.613 1.00 0.00 O ATOM 820 NE2 GLN A 52 -4.360 -4.674 -9.635 1.00 0.00 N ATOM 0 H GLN A 52 -0.301 -3.540 -8.806 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.147 -1.408 -6.839 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.307 -4.198 -7.124 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.137 -2.713 -6.706 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.786 -1.909 -9.100 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.100 -3.475 -9.485 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.543 -5.180 -9.978 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.294 -5.061 -9.771 1.00 0.00 H new ATOM 829 N VAL A 53 -0.518 -2.728 -4.782 1.00 0.00 N ATOM 830 CA VAL A 53 0.161 -3.350 -3.617 1.00 0.00 C ATOM 831 C VAL A 53 -0.869 -3.602 -2.510 1.00 0.00 C ATOM 832 O VAL A 53 -1.866 -2.919 -2.423 1.00 0.00 O ATOM 833 CB VAL A 53 1.198 -2.314 -3.178 1.00 0.00 C ATOM 834 CG1 VAL A 53 1.418 -2.419 -1.671 1.00 0.00 C ATOM 835 CG2 VAL A 53 2.520 -2.576 -3.902 1.00 0.00 C ATOM 0 H VAL A 53 -1.159 -1.970 -4.550 1.00 0.00 H new ATOM 0 HA VAL A 53 0.626 -4.309 -3.848 1.00 0.00 H new ATOM 0 HB VAL A 53 0.838 -1.315 -3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.157 -1.681 -1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.478 -2.233 -1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.777 -3.418 -1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.259 -1.838 -3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.878 -3.575 -3.655 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.366 -2.502 -4.979 1.00 0.00 H new ATOM 845 N CYS A 54 -0.643 -4.575 -1.670 1.00 0.00 N ATOM 846 CA CYS A 54 -1.620 -4.857 -0.580 1.00 0.00 C ATOM 847 C CYS A 54 -0.894 -5.015 0.755 1.00 0.00 C ATOM 848 O CYS A 54 -0.070 -5.891 0.917 1.00 0.00 O ATOM 849 CB CYS A 54 -2.279 -6.173 -0.982 1.00 0.00 C ATOM 850 SG CYS A 54 -4.011 -6.167 -0.458 1.00 0.00 S ATOM 0 H CYS A 54 0.174 -5.186 -1.691 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.344 -4.052 -0.455 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.215 -6.309 -2.062 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.752 -7.010 -0.524 1.00 0.00 H new ATOM 855 N ALA A 55 -1.189 -4.182 1.716 1.00 0.00 N ATOM 856 CA ALA A 55 -0.502 -4.308 3.033 1.00 0.00 C ATOM 857 C ALA A 55 -1.481 -4.026 4.175 1.00 0.00 C ATOM 858 O ALA A 55 -2.540 -3.460 3.978 1.00 0.00 O ATOM 859 CB ALA A 55 0.607 -3.258 2.998 1.00 0.00 C ATOM 0 H ALA A 55 -1.870 -3.426 1.648 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.109 -5.311 3.201 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.163 -3.285 3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.282 -3.469 2.169 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.168 -2.269 2.865 1.00 0.00 H new ATOM 865 N ASP A 56 -1.133 -4.421 5.369 1.00 0.00 N ATOM 866 CA ASP A 56 -2.035 -4.182 6.530 1.00 0.00 C ATOM 867 C ASP A 56 -1.894 -2.739 7.019 1.00 0.00 C ATOM 868 O ASP A 56 -0.803 -2.250 7.232 1.00 0.00 O ATOM 869 CB ASP A 56 -1.557 -5.161 7.603 1.00 0.00 C ATOM 870 CG ASP A 56 -2.663 -5.366 8.639 1.00 0.00 C ATOM 871 OD1 ASP A 56 -3.729 -5.822 8.258 1.00 0.00 O ATOM 872 OD2 ASP A 56 -2.427 -5.063 9.797 1.00 0.00 O ATOM 0 H ASP A 56 -0.260 -4.900 5.591 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.085 -4.330 6.279 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.291 -6.115 7.147 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.659 -4.777 8.086 1.00 0.00 H new ATOM 877 N LYS A 57 -2.989 -2.054 7.199 1.00 0.00 N ATOM 878 CA LYS A 57 -2.912 -0.643 7.675 1.00 0.00 C ATOM 879 C LYS A 57 -2.213 -0.583 9.034 1.00 0.00 C ATOM 880 O LYS A 57 -1.758 0.458 9.465 1.00 0.00 O ATOM 881 CB LYS A 57 -4.367 -0.183 7.803 1.00 0.00 C ATOM 882 CG LYS A 57 -5.034 -0.197 6.428 1.00 0.00 C ATOM 883 CD LYS A 57 -5.935 -1.428 6.307 1.00 0.00 C ATOM 884 CE LYS A 57 -7.392 -1.021 6.541 1.00 0.00 C ATOM 885 NZ LYS A 57 -7.447 -0.591 7.966 1.00 0.00 N ATOM 0 H LYS A 57 -3.932 -2.408 7.038 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.344 -0.010 6.994 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.907 -0.838 8.487 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.405 0.821 8.226 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.621 0.711 6.288 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.276 -0.210 5.645 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.826 -1.876 5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.636 -2.183 7.034 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.688 -0.212 5.873 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.070 -1.854 6.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.439 -0.525 8.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.949 -1.286 8.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.991 0.338 8.066 1.00 0.00 H new ATOM 899 N SER A 58 -2.126 -1.693 9.715 1.00 0.00 N ATOM 900 CA SER A 58 -1.459 -1.701 11.048 1.00 0.00 C ATOM 901 C SER A 58 0.060 -1.617 10.882 1.00 0.00 C ATOM 902 O SER A 58 0.801 -1.625 11.844 1.00 0.00 O ATOM 903 CB SER A 58 -1.858 -3.031 11.685 1.00 0.00 C ATOM 904 OG SER A 58 -0.910 -4.027 11.323 1.00 0.00 O ATOM 0 H SER A 58 -2.488 -2.595 9.406 1.00 0.00 H new ATOM 0 HA SER A 58 -1.757 -0.851 11.662 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.901 -2.930 12.769 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.854 -3.323 11.353 1.00 0.00 H new ATOM 0 HG SER A 58 -1.366 -4.758 10.855 1.00 0.00 H new ATOM 910 N LYS A 59 0.526 -1.535 9.669 1.00 0.00 N ATOM 911 CA LYS A 59 1.995 -1.447 9.441 1.00 0.00 C ATOM 912 C LYS A 59 2.456 0.005 9.545 1.00 0.00 C ATOM 913 O LYS A 59 1.998 0.868 8.825 1.00 0.00 O ATOM 914 CB LYS A 59 2.205 -1.978 8.026 1.00 0.00 C ATOM 915 CG LYS A 59 2.621 -3.449 8.088 1.00 0.00 C ATOM 916 CD LYS A 59 4.075 -3.551 8.558 1.00 0.00 C ATOM 917 CE LYS A 59 4.108 -3.873 10.054 1.00 0.00 C ATOM 918 NZ LYS A 59 4.859 -5.156 10.155 1.00 0.00 N ATOM 0 H LYS A 59 -0.046 -1.525 8.825 1.00 0.00 H new ATOM 0 HA LYS A 59 2.565 -2.014 10.177 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.287 -1.873 7.447 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.972 -1.394 7.517 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.968 -3.994 8.770 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.512 -3.910 7.106 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.596 -4.327 7.997 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.597 -2.614 8.366 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.602 -3.081 10.617 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.101 -3.972 10.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.924 -5.443 11.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.362 -5.893 9.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.816 -5.029 9.768 1.00 0.00 H new ATOM 932 N ASP A 60 3.359 0.277 10.440 1.00 0.00 N ATOM 933 CA ASP A 60 3.857 1.670 10.603 1.00 0.00 C ATOM 934 C ASP A 60 4.156 2.297 9.238 1.00 0.00 C ATOM 935 O ASP A 60 3.624 3.333 8.893 1.00 0.00 O ATOM 936 CB ASP A 60 5.139 1.527 11.420 1.00 0.00 C ATOM 937 CG ASP A 60 4.808 1.615 12.912 1.00 0.00 C ATOM 938 OD1 ASP A 60 3.905 2.359 13.256 1.00 0.00 O ATOM 939 OD2 ASP A 60 5.465 0.936 13.685 1.00 0.00 O ATOM 0 H ASP A 60 3.777 -0.408 11.070 1.00 0.00 H new ATOM 0 HA ASP A 60 3.127 2.317 11.089 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.619 0.574 11.199 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.846 2.311 11.147 1.00 0.00 H new ATOM 944 N TRP A 61 5.004 1.681 8.461 1.00 0.00 N ATOM 945 CA TRP A 61 5.336 2.252 7.123 1.00 0.00 C ATOM 946 C TRP A 61 4.064 2.437 6.295 1.00 0.00 C ATOM 947 O TRP A 61 3.901 3.422 5.601 1.00 0.00 O ATOM 948 CB TRP A 61 6.270 1.231 6.470 1.00 0.00 C ATOM 949 CG TRP A 61 5.493 0.048 5.990 1.00 0.00 C ATOM 950 CD1 TRP A 61 5.162 -1.014 6.749 1.00 0.00 C ATOM 951 CD2 TRP A 61 4.961 -0.217 4.661 1.00 0.00 C ATOM 952 NE1 TRP A 61 4.469 -1.926 5.972 1.00 0.00 N ATOM 953 CE2 TRP A 61 4.318 -1.477 4.674 1.00 0.00 C ATOM 954 CE3 TRP A 61 4.976 0.503 3.457 1.00 0.00 C ATOM 955 CZ2 TRP A 61 3.714 -2.002 3.529 1.00 0.00 C ATOM 956 CZ3 TRP A 61 4.366 -0.020 2.306 1.00 0.00 C ATOM 957 CH2 TRP A 61 3.738 -1.273 2.342 1.00 0.00 C ATOM 0 H TRP A 61 5.481 0.810 8.693 1.00 0.00 H new ATOM 0 HA TRP A 61 5.805 3.233 7.199 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.796 1.692 5.634 1.00 0.00 H new ATOM 0 HB3 TRP A 61 7.027 0.911 7.186 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.399 -1.135 7.796 1.00 0.00 H new ATOM 0 HE1 TRP A 61 4.114 -2.819 6.315 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.461 1.467 3.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.231 -2.967 3.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 4.381 0.547 1.387 1.00 0.00 H new ATOM 0 HH2 TRP A 61 3.274 -1.672 1.452 1.00 0.00 H new ATOM 968 N VAL A 62 3.156 1.507 6.368 1.00 0.00 N ATOM 969 CA VAL A 62 1.897 1.640 5.595 1.00 0.00 C ATOM 970 C VAL A 62 1.091 2.834 6.115 1.00 0.00 C ATOM 971 O VAL A 62 0.738 3.727 5.373 1.00 0.00 O ATOM 972 CB VAL A 62 1.159 0.326 5.845 1.00 0.00 C ATOM 973 CG1 VAL A 62 -0.340 0.570 5.804 1.00 0.00 C ATOM 974 CG2 VAL A 62 1.526 -0.682 4.760 1.00 0.00 C ATOM 0 H VAL A 62 3.233 0.660 6.931 1.00 0.00 H new ATOM 0 HA VAL A 62 2.064 1.817 4.532 1.00 0.00 H new ATOM 0 HB VAL A 62 1.444 -0.064 6.822 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.866 -0.368 5.982 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.612 1.291 6.574 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.618 0.962 4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.999 -1.619 4.940 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.241 -0.287 3.785 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.601 -0.862 4.779 1.00 0.00 H new ATOM 984 N LYS A 63 0.799 2.860 7.384 1.00 0.00 N ATOM 985 CA LYS A 63 0.025 3.995 7.940 1.00 0.00 C ATOM 986 C LYS A 63 0.562 5.311 7.379 1.00 0.00 C ATOM 987 O LYS A 63 -0.186 6.152 6.923 1.00 0.00 O ATOM 988 CB LYS A 63 0.252 3.905 9.446 1.00 0.00 C ATOM 989 CG LYS A 63 -0.973 4.443 10.175 1.00 0.00 C ATOM 990 CD LYS A 63 -0.623 5.759 10.870 1.00 0.00 C ATOM 991 CE LYS A 63 0.095 5.466 12.189 1.00 0.00 C ATOM 992 NZ LYS A 63 0.351 6.804 12.792 1.00 0.00 N ATOM 0 H LYS A 63 1.064 2.142 8.058 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.034 3.957 7.686 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.436 2.871 9.736 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.136 4.477 9.727 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.789 4.599 9.469 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.321 3.715 10.908 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.013 6.365 10.225 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.529 6.335 11.057 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.519 4.848 12.844 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.026 4.924 12.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.842 6.687 13.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.943 7.367 12.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.553 7.294 12.947 1.00 0.00 H new ATOM 1006 N LYS A 64 1.852 5.493 7.391 1.00 0.00 N ATOM 1007 CA LYS A 64 2.417 6.752 6.835 1.00 0.00 C ATOM 1008 C LYS A 64 2.017 6.865 5.363 1.00 0.00 C ATOM 1009 O LYS A 64 1.751 7.939 4.860 1.00 0.00 O ATOM 1010 CB LYS A 64 3.937 6.618 6.996 1.00 0.00 C ATOM 1011 CG LYS A 64 4.594 6.377 5.632 1.00 0.00 C ATOM 1012 CD LYS A 64 6.115 6.384 5.790 1.00 0.00 C ATOM 1013 CE LYS A 64 6.665 7.754 5.385 1.00 0.00 C ATOM 1014 NZ LYS A 64 8.135 7.555 5.259 1.00 0.00 N ATOM 0 H LYS A 64 2.535 4.830 7.759 1.00 0.00 H new ATOM 0 HA LYS A 64 2.053 7.647 7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.343 7.522 7.449 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.167 5.793 7.670 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.265 5.422 5.221 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.287 7.150 4.927 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.385 6.163 6.823 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.559 5.605 5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.230 8.092 4.444 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.432 8.511 6.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.584 8.452 4.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.522 7.240 6.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.327 6.834 4.534 1.00 0.00 H new ATOM 1028 N LEU A 65 1.962 5.757 4.675 1.00 0.00 N ATOM 1029 CA LEU A 65 1.567 5.790 3.242 1.00 0.00 C ATOM 1030 C LEU A 65 0.127 6.286 3.114 1.00 0.00 C ATOM 1031 O LEU A 65 -0.143 7.269 2.457 1.00 0.00 O ATOM 1032 CB LEU A 65 1.678 4.341 2.762 1.00 0.00 C ATOM 1033 CG LEU A 65 3.109 4.066 2.307 1.00 0.00 C ATOM 1034 CD1 LEU A 65 3.446 2.598 2.545 1.00 0.00 C ATOM 1035 CD2 LEU A 65 3.235 4.375 0.817 1.00 0.00 C ATOM 0 H LEU A 65 2.174 4.831 5.046 1.00 0.00 H new ATOM 0 HA LEU A 65 2.194 6.459 2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.403 3.658 3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.983 4.164 1.941 1.00 0.00 H new ATOM 0 HG LEU A 65 3.796 4.695 2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.468 2.402 2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.353 2.371 3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.758 1.970 1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.256 4.179 0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.547 3.744 0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.992 5.423 0.641 1.00 0.00 H new HETATM 1047 N MSE A 66 -0.800 5.615 3.737 1.00 0.00 N HETATM 1048 CA MSE A 66 -2.221 6.053 3.648 1.00 0.00 C HETATM 1049 C MSE A 66 -2.357 7.504 4.114 1.00 0.00 C HETATM 1050 O MSE A 66 -3.274 8.206 3.737 1.00 0.00 O HETATM 1051 CB MSE A 66 -2.983 5.114 4.583 1.00 0.00 C HETATM 1052 CG MSE A 66 -2.564 5.381 6.031 1.00 0.00 C HETATM 1053 SE MSE A 66 -4.130 4.645 7.152 1.00 0.00 SE HETATM 1054 CE MSE A 66 -5.593 5.899 6.418 1.00 0.00 C HETATM 0 H MSE A 66 -0.636 4.783 4.304 1.00 0.00 H new HETATM 0 HA MSE A 66 -2.604 6.011 2.628 1.00 0.00 H new HETATM 0 HB2 MSE A 66 -4.057 5.265 4.471 1.00 0.00 H new HETATM 0 HB3 MSE A 66 -2.778 4.076 4.320 1.00 0.00 H new HETATM 0 HG2 MSE A 66 -1.628 4.878 6.274 1.00 0.00 H new HETATM 0 HG3 MSE A 66 -2.410 6.445 6.212 1.00 0.00 H new HETATM 0 HE1 MSE A 66 -6.544 5.670 6.899 1.00 0.00 H new HETATM 0 HE2 MSE A 66 -5.322 6.934 6.625 1.00 0.00 H new HETATM 0 HE3 MSE A 66 -5.688 5.757 5.341 1.00 0.00 H new ATOM 1064 N GLN A 67 -1.451 7.957 4.934 1.00 0.00 N ATOM 1065 CA GLN A 67 -1.527 9.362 5.426 1.00 0.00 C ATOM 1066 C GLN A 67 -1.176 10.343 4.302 1.00 0.00 C ATOM 1067 O GLN A 67 -1.809 11.368 4.140 1.00 0.00 O ATOM 1068 CB GLN A 67 -0.490 9.443 6.548 1.00 0.00 C ATOM 1069 CG GLN A 67 -0.265 10.906 6.935 1.00 0.00 C ATOM 1070 CD GLN A 67 -1.474 11.420 7.717 1.00 0.00 C ATOM 1071 OE1 GLN A 67 -2.506 10.780 7.751 1.00 0.00 O ATOM 1072 NE2 GLN A 67 -1.391 12.559 8.349 1.00 0.00 N ATOM 0 H GLN A 67 -0.661 7.416 5.285 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.528 9.623 5.771 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.831 8.876 7.414 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.448 8.994 6.223 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.638 10.999 7.539 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.114 11.510 6.041 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.524 13.096 8.320 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.193 12.912 8.872 1.00 0.00 H new ATOM 1081 N GLN A 68 -0.170 10.041 3.527 1.00 0.00 N ATOM 1082 CA GLN A 68 0.222 10.962 2.419 1.00 0.00 C ATOM 1083 C GLN A 68 -0.523 10.604 1.129 1.00 0.00 C ATOM 1084 O GLN A 68 -0.748 11.442 0.278 1.00 0.00 O ATOM 1085 CB GLN A 68 1.724 10.744 2.243 1.00 0.00 C ATOM 1086 CG GLN A 68 2.490 11.717 3.142 1.00 0.00 C ATOM 1087 CD GLN A 68 2.777 13.008 2.373 1.00 0.00 C ATOM 1088 OE1 GLN A 68 1.953 13.469 1.609 1.00 0.00 O ATOM 1089 NE2 GLN A 68 3.918 13.617 2.546 1.00 0.00 N ATOM 0 H GLN A 68 0.398 9.198 3.612 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.023 12.000 2.644 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.985 9.716 2.496 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.005 10.897 1.201 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.908 11.937 4.037 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.424 11.264 3.473 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.610 13.230 3.187 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.118 14.480 2.040 1.00 0.00 H new ATOM 1098 N LEU A 69 -0.899 9.366 0.975 1.00 0.00 N ATOM 1099 CA LEU A 69 -1.618 8.950 -0.260 1.00 0.00 C ATOM 1100 C LEU A 69 -3.129 9.114 -0.075 1.00 0.00 C ATOM 1101 O LEU A 69 -3.644 8.962 1.015 1.00 0.00 O ATOM 1102 CB LEU A 69 -1.264 7.473 -0.450 1.00 0.00 C ATOM 1103 CG LEU A 69 0.209 7.227 -0.121 1.00 0.00 C ATOM 1104 CD1 LEU A 69 0.382 5.795 0.381 1.00 0.00 C ATOM 1105 CD2 LEU A 69 1.056 7.416 -1.377 1.00 0.00 C ATOM 0 H LEU A 69 -0.739 8.622 1.654 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.334 9.553 -1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.894 6.857 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.468 7.174 -1.478 1.00 0.00 H new ATOM 0 HG LEU A 69 0.528 7.933 0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.431 5.616 0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.221 5.648 1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.060 5.097 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.105 7.240 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.734 6.710 -2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.934 8.434 -1.748 1.00 0.00 H new ATOM 1117 N PRO A 70 -3.787 9.422 -1.158 1.00 0.00 N ATOM 1118 CA PRO A 70 -5.253 9.614 -1.136 1.00 0.00 C ATOM 1119 C PRO A 70 -5.976 8.268 -1.270 1.00 0.00 C ATOM 1120 O PRO A 70 -5.734 7.513 -2.191 1.00 0.00 O ATOM 1121 CB PRO A 70 -5.508 10.485 -2.360 1.00 0.00 C ATOM 1122 CG PRO A 70 -4.365 10.216 -3.295 1.00 0.00 C ATOM 1123 CD PRO A 70 -3.229 9.621 -2.495 1.00 0.00 C ATOM 0 HA PRO A 70 -5.614 10.060 -0.209 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.462 10.236 -2.826 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.551 11.540 -2.088 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.673 9.531 -4.085 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.046 11.138 -3.780 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.889 8.680 -2.927 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.368 10.289 -2.470 1.00 0.00 H new ATOM 1131 N VAL A 71 -6.865 7.965 -0.362 1.00 0.00 N ATOM 1132 CA VAL A 71 -7.604 6.671 -0.446 1.00 0.00 C ATOM 1133 C VAL A 71 -8.418 6.615 -1.741 1.00 0.00 C ATOM 1134 O VAL A 71 -9.618 6.799 -1.738 1.00 0.00 O ATOM 1135 CB VAL A 71 -8.534 6.660 0.767 1.00 0.00 C ATOM 1136 CG1 VAL A 71 -9.237 8.013 0.878 1.00 0.00 C ATOM 1137 CG2 VAL A 71 -9.579 5.556 0.599 1.00 0.00 C ATOM 0 H VAL A 71 -7.111 8.556 0.432 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.932 5.813 -0.450 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.953 6.475 1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.901 8.008 1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.493 8.801 0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.819 8.196 -0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.242 5.548 1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.162 5.741 -0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.079 4.591 0.517 1.00 0.00 H new ATOM 1147 N THR A 72 -7.771 6.365 -2.846 1.00 0.00 N ATOM 1148 CA THR A 72 -8.503 6.298 -4.145 1.00 0.00 C ATOM 1149 C THR A 72 -9.865 5.625 -3.953 1.00 0.00 C ATOM 1150 O THR A 72 -10.081 4.898 -3.005 1.00 0.00 O ATOM 1151 CB THR A 72 -7.612 5.453 -5.057 1.00 0.00 C ATOM 1152 OG1 THR A 72 -6.248 5.698 -4.743 1.00 0.00 O ATOM 1153 CG2 THR A 72 -7.876 5.822 -6.517 1.00 0.00 C ATOM 0 H THR A 72 -6.766 6.204 -2.907 1.00 0.00 H new ATOM 0 HA THR A 72 -8.695 7.287 -4.562 1.00 0.00 H new ATOM 0 HB THR A 72 -7.836 4.397 -4.906 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.014 5.229 -3.915 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.240 5.219 -7.165 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.922 5.633 -6.757 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.654 6.878 -6.671 1.00 0.00 H new ATOM 1161 N ALA A 73 -10.786 5.866 -4.846 1.00 0.00 N ATOM 1162 CA ALA A 73 -12.133 5.242 -4.714 1.00 0.00 C ATOM 1163 C ALA A 73 -12.092 3.787 -5.187 1.00 0.00 C ATOM 1164 O ALA A 73 -12.610 3.450 -6.233 1.00 0.00 O ATOM 1165 CB ALA A 73 -13.044 6.074 -5.615 1.00 0.00 C ATOM 0 H ALA A 73 -10.664 6.468 -5.661 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.483 5.229 -3.682 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.058 5.677 -5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.045 7.109 -5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.679 6.030 -6.641 1.00 0.00 H new ATOM 1171 N ARG A 74 -11.481 2.922 -4.425 1.00 0.00 N ATOM 1172 CA ARG A 74 -11.410 1.489 -4.832 1.00 0.00 C ATOM 1173 C ARG A 74 -10.704 1.358 -6.185 1.00 0.00 C ATOM 1174 CB ARG A 74 -12.866 1.038 -4.942 1.00 0.00 C ATOM 1175 CG ARG A 74 -12.921 -0.483 -5.091 1.00 0.00 C ATOM 1176 CD ARG A 74 -14.380 -0.945 -5.079 1.00 0.00 C ATOM 1177 NE ARG A 74 -14.445 -2.040 -6.087 1.00 0.00 N ATOM 1178 CZ ARG A 74 -15.203 -3.080 -5.871 1.00 0.00 C ATOM 1179 NH1 ARG A 74 -14.897 -3.925 -4.926 1.00 0.00 N ATOM 1180 NH2 ARG A 74 -16.267 -3.274 -6.600 1.00 0.00 N ATOM 0 H ARG A 74 -11.028 3.145 -3.539 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.848 0.884 -4.121 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -13.421 1.347 -4.056 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.341 1.515 -5.799 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -12.440 -0.785 -6.021 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -12.371 -0.959 -4.279 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -14.674 -1.300 -4.091 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -15.055 -0.129 -5.338 1.00 0.00 H new ATOM 0 HE ARG A 74 -13.897 -1.977 -6.945 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -14.065 -3.773 -4.356 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -15.490 -4.738 -4.757 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -16.506 -2.613 -7.339 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -16.860 -4.087 -6.431 1.00 0.00 H new TER 1194 ARG A 74