USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=18 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 180:sc= 0 USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= -1.4 USER MOD Set 2.1: A 7 SER OG : rot 141:sc= -0.0424 USER MOD Set 2.2: A 9 HIS : no HE2:sc= -1.51 K(o=-1.6,f=-4.6!) USER MOD Single : A 1 GLY N :NH3+ -144:sc= 0.0118 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00692 USER MOD Single : A 13 LYS NZ :NH3+ -119:sc= -0.0797 (180deg=-0.569) USER MOD Single : A 18 TYR OH : rot 34:sc= 0.0391 USER MOD Single : A 19 GLN : amide:sc= -15.8! C(o=-16!,f=-20!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -1.16 K(o=-1.2,f=-2.2) 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 86:sc= -1.25 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.307 K(o=-0.31,f=-1.6!) USER MOD Single : A 39 SER OG : rot 180:sc= -0.699! USER MOD Single : A 40 LYS NZ :NH3+ 139:sc= 0.148 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 170:sc= 0.538 USER MOD Single : A 48 LYS NZ :NH3+ -132:sc= 1.1 (180deg=-0.149) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 57 LYS NZ :NH3+ -121:sc= -3.73! (180deg=-7.3!) USER MOD Single : A 58 SER OG : rot 180:sc=-0.00906 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 X(o=0,f=-0.42) USER MOD Single : A 68 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.085) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.673 -9.798 -10.774 1.00 0.00 N ATOM 2 CA GLY A 1 -22.026 -10.737 -11.877 1.00 0.00 C ATOM 3 C GLY A 1 -22.696 -11.982 -11.296 1.00 0.00 C ATOM 4 O GLY A 1 -23.524 -11.898 -10.411 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.804 -8.818 -11.097 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.288 -9.978 -9.955 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.680 -9.942 -10.499 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.696 -10.248 -12.584 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.130 -11.018 -12.429 1.00 0.00 H new ATOM 7 N ASP A 2 -22.342 -13.140 -11.784 1.00 0.00 N ATOM 8 CA ASP A 2 -22.959 -14.392 -11.259 1.00 0.00 C ATOM 9 C ASP A 2 -22.508 -14.639 -9.817 1.00 0.00 C ATOM 10 O ASP A 2 -21.854 -15.619 -9.520 1.00 0.00 O ATOM 11 CB ASP A 2 -22.449 -15.501 -12.178 1.00 0.00 C ATOM 12 CG ASP A 2 -20.946 -15.692 -11.962 1.00 0.00 C ATOM 13 OD1 ASP A 2 -20.351 -14.854 -11.304 1.00 0.00 O ATOM 14 OD2 ASP A 2 -20.417 -16.673 -12.456 1.00 0.00 O ATOM 0 H ASP A 2 -21.652 -13.273 -12.524 1.00 0.00 H new ATOM 0 HA ASP A 2 -24.048 -14.342 -11.247 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -22.978 -16.431 -11.971 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -22.648 -15.246 -13.219 1.00 0.00 H new ATOM 19 N THR A 3 -22.852 -13.757 -8.918 1.00 0.00 N ATOM 20 CA THR A 3 -22.440 -13.941 -7.497 1.00 0.00 C ATOM 21 C THR A 3 -23.392 -14.912 -6.792 1.00 0.00 C ATOM 22 O THR A 3 -23.168 -15.311 -5.666 1.00 0.00 O ATOM 23 CB THR A 3 -22.535 -12.549 -6.873 1.00 0.00 C ATOM 24 OG1 THR A 3 -22.089 -11.581 -7.813 1.00 0.00 O ATOM 25 CG2 THR A 3 -21.660 -12.488 -5.621 1.00 0.00 C ATOM 0 H THR A 3 -23.400 -12.918 -9.106 1.00 0.00 H new ATOM 0 HA THR A 3 -21.437 -14.359 -7.409 1.00 0.00 H new ATOM 0 HB THR A 3 -23.570 -12.342 -6.599 1.00 0.00 H new ATOM 0 HG1 THR A 3 -22.150 -10.687 -7.416 1.00 0.00 H new ATOM 0 HG21 THR A 3 -21.729 -11.495 -5.177 1.00 0.00 H new ATOM 0 HG22 THR A 3 -22.002 -13.232 -4.901 1.00 0.00 H new ATOM 0 HG23 THR A 3 -20.624 -12.694 -5.891 1.00 0.00 H new ATOM 33 N LEU A 4 -24.454 -15.295 -7.448 1.00 0.00 N ATOM 34 CA LEU A 4 -25.419 -16.240 -6.816 1.00 0.00 C ATOM 35 C LEU A 4 -24.777 -17.619 -6.646 1.00 0.00 C ATOM 36 O LEU A 4 -24.112 -18.118 -7.533 1.00 0.00 O ATOM 37 CB LEU A 4 -26.595 -16.311 -7.790 1.00 0.00 C ATOM 38 CG LEU A 4 -27.757 -17.061 -7.136 1.00 0.00 C ATOM 39 CD1 LEU A 4 -29.080 -16.572 -7.729 1.00 0.00 C ATOM 40 CD2 LEU A 4 -27.607 -18.561 -7.397 1.00 0.00 C ATOM 0 H LEU A 4 -24.695 -14.995 -8.393 1.00 0.00 H new ATOM 0 HA LEU A 4 -25.729 -15.912 -5.824 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -26.909 -15.306 -8.070 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -26.292 -16.817 -8.706 1.00 0.00 H new ATOM 0 HG LEU A 4 -27.749 -16.875 -6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -29.907 -17.107 -7.263 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -29.189 -15.503 -7.544 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -29.088 -16.757 -8.803 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -28.435 -19.096 -6.931 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -27.614 -18.746 -8.471 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -26.665 -18.911 -6.975 1.00 0.00 H new ATOM 52 N GLY A 5 -24.968 -18.239 -5.514 1.00 0.00 N ATOM 53 CA GLY A 5 -24.367 -19.585 -5.290 1.00 0.00 C ATOM 54 C GLY A 5 -24.666 -20.049 -3.864 1.00 0.00 C ATOM 55 O GLY A 5 -24.140 -19.518 -2.905 1.00 0.00 O ATOM 0 H GLY A 5 -25.514 -17.872 -4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -24.771 -20.299 -6.008 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -23.290 -19.545 -5.452 1.00 0.00 H new ATOM 59 N ALA A 6 -25.507 -21.035 -3.714 1.00 0.00 N ATOM 60 CA ALA A 6 -25.840 -21.532 -2.349 1.00 0.00 C ATOM 61 C ALA A 6 -24.829 -22.595 -1.911 1.00 0.00 C ATOM 62 O ALA A 6 -24.892 -23.110 -0.812 1.00 0.00 O ATOM 63 CB ALA A 6 -27.236 -22.141 -2.478 1.00 0.00 C ATOM 0 H ALA A 6 -25.978 -21.518 -4.478 1.00 0.00 H new ATOM 0 HA ALA A 6 -25.809 -20.738 -1.602 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -27.554 -22.531 -1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -27.938 -21.375 -2.809 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -27.213 -22.952 -3.206 1.00 0.00 H new ATOM 69 N SER A 7 -23.899 -22.930 -2.763 1.00 0.00 N ATOM 70 CA SER A 7 -22.886 -23.961 -2.394 1.00 0.00 C ATOM 71 C SER A 7 -21.729 -23.316 -1.627 1.00 0.00 C ATOM 72 O SER A 7 -21.924 -22.438 -0.810 1.00 0.00 O ATOM 73 CB SER A 7 -22.397 -24.530 -3.725 1.00 0.00 C ATOM 74 OG SER A 7 -21.400 -23.672 -4.264 1.00 0.00 O ATOM 0 H SER A 7 -23.796 -22.535 -3.698 1.00 0.00 H new ATOM 0 HA SER A 7 -23.301 -24.735 -1.748 1.00 0.00 H new ATOM 0 HB2 SER A 7 -21.991 -25.531 -3.579 1.00 0.00 H new ATOM 0 HB3 SER A 7 -23.230 -24.622 -4.422 1.00 0.00 H new ATOM 0 HG SER A 7 -20.692 -24.211 -4.674 1.00 0.00 H new ATOM 80 N TRP A 8 -20.523 -23.744 -1.883 1.00 0.00 N ATOM 81 CA TRP A 8 -19.353 -23.155 -1.169 1.00 0.00 C ATOM 82 C TRP A 8 -18.096 -23.264 -2.036 1.00 0.00 C ATOM 83 O TRP A 8 -17.262 -24.125 -1.836 1.00 0.00 O ATOM 84 CB TRP A 8 -19.192 -23.982 0.113 1.00 0.00 C ATOM 85 CG TRP A 8 -19.916 -25.285 -0.022 1.00 0.00 C ATOM 86 CD1 TRP A 8 -21.159 -25.535 0.451 1.00 0.00 C ATOM 87 CD2 TRP A 8 -19.467 -26.515 -0.663 1.00 0.00 C ATOM 88 NE1 TRP A 8 -21.501 -26.839 0.142 1.00 0.00 N ATOM 89 CE2 TRP A 8 -20.491 -27.484 -0.543 1.00 0.00 C ATOM 90 CE3 TRP A 8 -18.283 -26.880 -1.327 1.00 0.00 C ATOM 91 CZ2 TRP A 8 -20.346 -28.769 -1.066 1.00 0.00 C ATOM 92 CZ3 TRP A 8 -18.133 -28.173 -1.855 1.00 0.00 C ATOM 93 CH2 TRP A 8 -19.162 -29.116 -1.724 1.00 0.00 C ATOM 0 H TRP A 8 -20.297 -24.476 -2.556 1.00 0.00 H new ATOM 0 HA TRP A 8 -19.502 -22.098 -0.949 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -18.135 -24.163 0.308 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -19.583 -23.426 0.965 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -21.782 -24.831 0.983 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -22.391 -27.271 0.390 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -17.483 -26.162 -1.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -21.143 -29.491 -0.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -17.220 -28.442 -2.365 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -19.040 -30.109 -2.131 1.00 0.00 H new ATOM 104 N HIS A 9 -17.951 -22.395 -3.001 1.00 0.00 N ATOM 105 CA HIS A 9 -16.749 -22.450 -3.881 1.00 0.00 C ATOM 106 C HIS A 9 -16.009 -21.110 -3.853 1.00 0.00 C ATOM 107 O HIS A 9 -15.621 -20.582 -4.876 1.00 0.00 O ATOM 108 CB HIS A 9 -17.295 -22.730 -5.281 1.00 0.00 C ATOM 109 CG HIS A 9 -18.211 -21.612 -5.695 1.00 0.00 C ATOM 110 ND1 HIS A 9 -19.591 -21.714 -5.602 1.00 0.00 N ATOM 111 CD2 HIS A 9 -17.962 -20.362 -6.206 1.00 0.00 C ATOM 112 CE1 HIS A 9 -20.113 -20.556 -6.048 1.00 0.00 C ATOM 113 NE2 HIS A 9 -19.164 -19.697 -6.429 1.00 0.00 N ATOM 0 H HIS A 9 -18.613 -21.650 -3.217 1.00 0.00 H new ATOM 0 HA HIS A 9 -16.038 -23.212 -3.560 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -16.474 -22.823 -5.991 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -17.833 -23.678 -5.290 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -20.115 -22.519 -5.259 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -16.981 -19.956 -6.405 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -21.172 -20.347 -6.092 1.00 0.00 H new ATOM 121 N ARG A 10 -15.810 -20.553 -2.689 1.00 0.00 N ATOM 122 CA ARG A 10 -15.096 -19.248 -2.599 1.00 0.00 C ATOM 123 C ARG A 10 -13.596 -19.448 -2.833 1.00 0.00 C ATOM 124 O ARG A 10 -12.985 -20.317 -2.242 1.00 0.00 O ATOM 125 CB ARG A 10 -15.356 -18.752 -1.176 1.00 0.00 C ATOM 126 CG ARG A 10 -16.807 -18.283 -1.056 1.00 0.00 C ATOM 127 CD ARG A 10 -16.838 -16.778 -0.784 1.00 0.00 C ATOM 128 NE ARG A 10 -17.182 -16.657 0.660 1.00 0.00 N ATOM 129 CZ ARG A 10 -16.579 -15.770 1.402 1.00 0.00 C ATOM 130 NH1 ARG A 10 -16.850 -14.501 1.256 1.00 0.00 N ATOM 131 NH2 ARG A 10 -15.702 -16.151 2.291 1.00 0.00 N ATOM 0 H ARG A 10 -16.111 -20.945 -1.797 1.00 0.00 H new ATOM 0 HA ARG A 10 -15.441 -18.536 -3.348 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -15.160 -19.550 -0.460 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.677 -17.934 -0.935 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -17.350 -18.508 -1.974 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -17.308 -18.819 -0.250 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -15.874 -16.317 -1.001 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -17.578 -16.279 -1.410 1.00 0.00 H new ATOM 0 HE ARG A 10 -17.889 -17.268 1.069 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -17.534 -14.202 0.561 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.378 -13.808 1.837 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.489 -17.142 2.405 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.230 -15.458 2.872 1.00 0.00 H new ATOM 145 N PRO A 11 -13.052 -18.632 -3.695 1.00 0.00 N ATOM 146 CA PRO A 11 -11.607 -18.714 -4.018 1.00 0.00 C ATOM 147 C PRO A 11 -10.767 -18.175 -2.856 1.00 0.00 C ATOM 148 O PRO A 11 -11.286 -17.805 -1.821 1.00 0.00 O ATOM 149 CB PRO A 11 -11.464 -17.827 -5.250 1.00 0.00 C ATOM 150 CG PRO A 11 -12.607 -16.865 -5.169 1.00 0.00 C ATOM 151 CD PRO A 11 -13.726 -17.565 -4.443 1.00 0.00 C ATOM 0 HA PRO A 11 -11.264 -19.734 -4.192 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.508 -17.304 -5.251 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.507 -18.415 -6.167 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.311 -15.960 -4.639 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.926 -16.561 -6.166 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -14.257 -16.885 -3.777 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.462 -17.969 -5.138 1.00 0.00 H new ATOM 159 N ASP A 12 -9.473 -18.126 -3.019 1.00 0.00 N ATOM 160 CA ASP A 12 -8.601 -17.610 -1.925 1.00 0.00 C ATOM 161 C ASP A 12 -7.583 -16.613 -2.486 1.00 0.00 C ATOM 162 O ASP A 12 -6.553 -16.363 -1.890 1.00 0.00 O ATOM 163 CB ASP A 12 -7.894 -18.845 -1.367 1.00 0.00 C ATOM 164 CG ASP A 12 -7.022 -18.439 -0.177 1.00 0.00 C ATOM 165 OD1 ASP A 12 -7.563 -17.892 0.768 1.00 0.00 O ATOM 166 OD2 ASP A 12 -5.828 -18.684 -0.232 1.00 0.00 O ATOM 0 H ASP A 12 -8.982 -18.421 -3.863 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.168 -17.084 -1.157 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.628 -19.588 -1.057 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.280 -19.307 -2.141 1.00 0.00 H new ATOM 171 N LYS A 13 -7.863 -16.043 -3.626 1.00 0.00 N ATOM 172 CA LYS A 13 -6.911 -15.064 -4.224 1.00 0.00 C ATOM 173 C LYS A 13 -7.588 -13.701 -4.388 1.00 0.00 C ATOM 174 O LYS A 13 -8.409 -13.506 -5.263 1.00 0.00 O ATOM 175 CB LYS A 13 -6.543 -15.651 -5.587 1.00 0.00 C ATOM 176 CG LYS A 13 -5.048 -15.451 -5.843 1.00 0.00 C ATOM 177 CD LYS A 13 -4.848 -14.791 -7.208 1.00 0.00 C ATOM 178 CE LYS A 13 -3.479 -15.183 -7.768 1.00 0.00 C ATOM 179 NZ LYS A 13 -3.637 -16.593 -8.220 1.00 0.00 N ATOM 0 H LYS A 13 -8.710 -16.213 -4.169 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.032 -14.907 -3.599 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.789 -16.713 -5.616 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.125 -15.168 -6.372 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.614 -14.830 -5.060 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.531 -16.410 -5.812 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.636 -15.103 -7.894 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.918 -13.707 -7.114 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.190 -14.534 -8.594 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.702 -15.097 -7.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.982 -17.203 -7.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.614 -16.905 -8.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.426 -16.658 -9.236 1.00 0.00 H new ATOM 193 N CYS A 14 -7.251 -12.757 -3.552 1.00 0.00 N ATOM 194 CA CYS A 14 -7.877 -11.407 -3.658 1.00 0.00 C ATOM 195 C CYS A 14 -6.803 -10.318 -3.607 1.00 0.00 C ATOM 196 O CYS A 14 -6.968 -9.244 -4.151 1.00 0.00 O ATOM 197 CB CYS A 14 -8.799 -11.303 -2.443 1.00 0.00 C ATOM 198 SG CYS A 14 -10.444 -11.923 -2.876 1.00 0.00 S ATOM 0 H CYS A 14 -6.570 -12.862 -2.800 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.417 -11.276 -4.596 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.389 -11.878 -1.612 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.865 -10.267 -2.111 1.00 0.00 H new ATOM 203 N CYS A 15 -5.707 -10.583 -2.952 1.00 0.00 N ATOM 204 CA CYS A 15 -4.627 -9.560 -2.859 1.00 0.00 C ATOM 205 C CYS A 15 -3.269 -10.240 -2.659 1.00 0.00 C ATOM 206 O CYS A 15 -3.149 -11.446 -2.737 1.00 0.00 O ATOM 207 CB CYS A 15 -4.988 -8.724 -1.632 1.00 0.00 C ATOM 208 SG CYS A 15 -4.797 -6.967 -2.012 1.00 0.00 S ATOM 0 H CYS A 15 -5.512 -11.464 -2.477 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.550 -8.955 -3.763 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -6.014 -8.931 -1.329 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.347 -8.996 -0.793 1.00 0.00 H new ATOM 213 N LEU A 16 -2.247 -9.473 -2.388 1.00 0.00 N ATOM 214 CA LEU A 16 -0.899 -10.073 -2.166 1.00 0.00 C ATOM 215 C LEU A 16 -0.786 -10.563 -0.724 1.00 0.00 C ATOM 216 O LEU A 16 0.294 -10.792 -0.217 1.00 0.00 O ATOM 217 CB LEU A 16 0.088 -8.931 -2.415 1.00 0.00 C ATOM 218 CG LEU A 16 0.799 -9.152 -3.752 1.00 0.00 C ATOM 219 CD1 LEU A 16 0.651 -7.903 -4.622 1.00 0.00 C ATOM 220 CD2 LEU A 16 2.284 -9.424 -3.502 1.00 0.00 C ATOM 0 H LEU A 16 -2.287 -8.457 -2.311 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.709 -10.926 -2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.439 -7.977 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.818 -8.884 -1.607 1.00 0.00 H new ATOM 0 HG LEU A 16 0.353 -10.006 -4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.158 -8.061 -5.574 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.406 -7.708 -4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.096 -7.049 -4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.790 -9.581 -4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.729 -8.570 -2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.392 -10.314 -2.882 1.00 0.00 H new ATOM 232 N GLY A 17 -1.895 -10.706 -0.054 1.00 0.00 N ATOM 233 CA GLY A 17 -1.855 -11.157 1.363 1.00 0.00 C ATOM 234 C GLY A 17 -1.421 -9.977 2.226 1.00 0.00 C ATOM 235 O GLY A 17 -2.172 -9.487 3.033 1.00 0.00 O ATOM 0 H GLY A 17 -2.828 -10.530 -0.427 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.836 -11.516 1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.159 -11.988 1.478 1.00 0.00 H new ATOM 239 N TYR A 18 -0.210 -9.524 2.028 1.00 0.00 N ATOM 240 CA TYR A 18 0.342 -8.361 2.784 1.00 0.00 C ATOM 241 C TYR A 18 1.783 -8.110 2.339 1.00 0.00 C ATOM 242 O TYR A 18 2.611 -8.999 2.351 1.00 0.00 O ATOM 243 CB TYR A 18 0.294 -8.753 4.260 1.00 0.00 C ATOM 244 CG TYR A 18 -1.008 -8.297 4.892 1.00 0.00 C ATOM 245 CD1 TYR A 18 -2.006 -7.687 4.115 1.00 0.00 C ATOM 246 CD2 TYR A 18 -1.210 -8.480 6.265 1.00 0.00 C ATOM 247 CE1 TYR A 18 -3.200 -7.266 4.713 1.00 0.00 C ATOM 248 CE2 TYR A 18 -2.406 -8.058 6.862 1.00 0.00 C ATOM 249 CZ TYR A 18 -3.401 -7.451 6.085 1.00 0.00 C ATOM 250 OH TYR A 18 -4.577 -7.036 6.674 1.00 0.00 O ATOM 0 H TYR A 18 0.439 -9.926 1.351 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.226 -7.447 2.607 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.393 -9.834 4.358 1.00 0.00 H new ATOM 0 HB3 TYR A 18 1.137 -8.307 4.788 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.853 -7.543 3.056 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.443 -8.947 6.865 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.967 -6.798 4.114 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.560 -8.201 7.921 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.318 -7.155 6.044 1.00 0.00 H new ATOM 260 N GLN A 19 2.087 -6.909 1.938 1.00 0.00 N ATOM 261 CA GLN A 19 3.470 -6.603 1.482 1.00 0.00 C ATOM 262 C GLN A 19 4.493 -7.133 2.491 1.00 0.00 C ATOM 263 O GLN A 19 4.424 -6.850 3.671 1.00 0.00 O ATOM 264 CB GLN A 19 3.526 -5.073 1.385 1.00 0.00 C ATOM 265 CG GLN A 19 4.940 -4.573 1.673 1.00 0.00 C ATOM 266 CD GLN A 19 5.777 -4.666 0.400 1.00 0.00 C ATOM 267 OE1 GLN A 19 6.394 -3.703 -0.008 1.00 0.00 O ATOM 268 NE2 GLN A 19 5.827 -5.795 -0.248 1.00 0.00 N ATOM 0 H GLN A 19 1.436 -6.124 1.906 1.00 0.00 H new ATOM 0 HA GLN A 19 3.708 -7.074 0.528 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.216 -4.754 0.390 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.826 -4.631 2.094 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.909 -3.543 2.027 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.394 -5.168 2.465 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.308 -6.603 0.095 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.385 -5.871 -1.099 1.00 0.00 H new ATOM 277 N LYS A 20 5.447 -7.889 2.026 1.00 0.00 N ATOM 278 CA LYS A 20 6.489 -8.431 2.945 1.00 0.00 C ATOM 279 C LYS A 20 7.694 -7.491 2.957 1.00 0.00 C ATOM 280 O LYS A 20 8.274 -7.215 3.990 1.00 0.00 O ATOM 281 CB LYS A 20 6.869 -9.791 2.358 1.00 0.00 C ATOM 282 CG LYS A 20 6.911 -10.837 3.475 1.00 0.00 C ATOM 283 CD LYS A 20 5.948 -11.978 3.143 1.00 0.00 C ATOM 284 CE LYS A 20 5.019 -12.225 4.334 1.00 0.00 C ATOM 285 NZ LYS A 20 3.921 -11.231 4.177 1.00 0.00 N ATOM 0 H LYS A 20 5.552 -8.156 1.047 1.00 0.00 H new ATOM 0 HA LYS A 20 6.139 -8.523 3.973 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.146 -10.085 1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.840 -9.728 1.867 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.924 -11.223 3.588 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.636 -10.380 4.426 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.363 -11.728 2.258 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.507 -12.884 2.910 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.633 -13.244 4.329 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.544 -12.088 5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.242 -11.338 4.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.318 -10.270 4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.435 -11.391 3.271 1.00 0.00 H new ATOM 299 N ARG A 21 8.067 -6.988 1.813 1.00 0.00 N ATOM 300 CA ARG A 21 9.223 -6.051 1.743 1.00 0.00 C ATOM 301 C ARG A 21 8.759 -4.634 2.061 1.00 0.00 C ATOM 302 O ARG A 21 7.598 -4.314 1.933 1.00 0.00 O ATOM 303 CB ARG A 21 9.721 -6.142 0.300 1.00 0.00 C ATOM 304 CG ARG A 21 9.879 -7.611 -0.094 1.00 0.00 C ATOM 305 CD ARG A 21 10.670 -7.708 -1.401 1.00 0.00 C ATOM 306 NE ARG A 21 11.189 -9.103 -1.431 1.00 0.00 N ATOM 307 CZ ARG A 21 11.678 -9.594 -2.537 1.00 0.00 C ATOM 308 NH1 ARG A 21 12.939 -9.425 -2.824 1.00 0.00 N ATOM 309 NH2 ARG A 21 10.905 -10.254 -3.356 1.00 0.00 N ATOM 0 H ARG A 21 7.618 -7.187 0.919 1.00 0.00 H new ATOM 0 HA ARG A 21 10.007 -6.301 2.458 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.017 -5.648 -0.370 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.674 -5.623 0.200 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.394 -8.157 0.696 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.899 -8.073 -0.214 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.035 -7.504 -2.263 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.484 -6.983 -1.425 1.00 0.00 H new ATOM 0 HE ARG A 21 11.162 -9.675 -0.587 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.543 -8.909 -2.184 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.321 -9.809 -3.688 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.919 -10.386 -3.132 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.287 -10.638 -4.220 1.00 0.00 H new ATOM 323 N PRO A 22 9.692 -3.831 2.464 1.00 0.00 N ATOM 324 CA PRO A 22 9.381 -2.425 2.800 1.00 0.00 C ATOM 325 C PRO A 22 9.033 -1.640 1.543 1.00 0.00 C ATOM 326 O PRO A 22 9.669 -1.762 0.514 1.00 0.00 O ATOM 327 CB PRO A 22 10.660 -1.915 3.439 1.00 0.00 C ATOM 328 CG PRO A 22 11.739 -2.811 2.914 1.00 0.00 C ATOM 329 CD PRO A 22 11.108 -4.148 2.645 1.00 0.00 C ATOM 0 HA PRO A 22 8.520 -2.321 3.460 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.847 -0.875 3.173 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.603 -1.961 4.527 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.173 -2.399 2.003 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.548 -2.905 3.638 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.530 -4.619 1.757 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.261 -4.838 3.475 1.00 0.00 H new ATOM 337 N LEU A 23 8.013 -0.844 1.625 1.00 0.00 N ATOM 338 CA LEU A 23 7.585 -0.047 0.445 1.00 0.00 C ATOM 339 C LEU A 23 7.530 1.444 0.783 1.00 0.00 C ATOM 340 O LEU A 23 6.940 1.840 1.769 1.00 0.00 O ATOM 341 CB LEU A 23 6.195 -0.573 0.111 1.00 0.00 C ATOM 342 CG LEU A 23 6.272 -1.367 -1.185 1.00 0.00 C ATOM 343 CD1 LEU A 23 4.961 -2.126 -1.403 1.00 0.00 C ATOM 344 CD2 LEU A 23 6.507 -0.404 -2.351 1.00 0.00 C ATOM 0 H LEU A 23 7.450 -0.708 2.465 1.00 0.00 H new ATOM 0 HA LEU A 23 8.279 -0.145 -0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.826 -1.204 0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.493 0.254 0.006 1.00 0.00 H new ATOM 0 HG LEU A 23 7.094 -2.081 -1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.019 -2.694 -2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.793 -2.809 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.135 -1.417 -1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.563 -0.967 -3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.684 0.308 -2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.442 0.134 -2.196 1.00 0.00 H new ATOM 356 N PRO A 24 8.150 2.220 -0.062 1.00 0.00 N ATOM 357 CA PRO A 24 8.178 3.687 0.127 1.00 0.00 C ATOM 358 C PRO A 24 6.836 4.302 -0.275 1.00 0.00 C ATOM 359 O PRO A 24 5.923 3.616 -0.690 1.00 0.00 O ATOM 360 CB PRO A 24 9.286 4.148 -0.815 1.00 0.00 C ATOM 361 CG PRO A 24 9.368 3.092 -1.872 1.00 0.00 C ATOM 362 CD PRO A 24 8.878 1.801 -1.264 1.00 0.00 C ATOM 0 HA PRO A 24 8.352 3.982 1.162 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.055 5.121 -1.248 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.234 4.251 -0.287 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.759 3.365 -2.734 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.393 2.984 -2.227 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.230 1.258 -1.952 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.707 1.138 -1.016 1.00 0.00 H new ATOM 370 N GLN A 25 6.714 5.593 -0.157 1.00 0.00 N ATOM 371 CA GLN A 25 5.441 6.268 -0.527 1.00 0.00 C ATOM 372 C GLN A 25 5.681 7.257 -1.671 1.00 0.00 C ATOM 373 O GLN A 25 4.862 7.408 -2.557 1.00 0.00 O ATOM 374 CB GLN A 25 5.009 7.008 0.738 1.00 0.00 C ATOM 375 CG GLN A 25 3.701 7.756 0.473 1.00 0.00 C ATOM 376 CD GLN A 25 3.962 9.263 0.502 1.00 0.00 C ATOM 377 OE1 GLN A 25 4.392 9.799 1.504 1.00 0.00 O ATOM 378 NE2 GLN A 25 3.717 9.976 -0.563 1.00 0.00 N ATOM 0 H GLN A 25 7.448 6.215 0.183 1.00 0.00 H new ATOM 0 HA GLN A 25 4.682 5.565 -0.870 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.876 6.302 1.557 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.785 7.709 1.044 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.293 7.465 -0.495 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.958 7.490 1.225 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.356 9.528 -1.405 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.887 10.982 -0.553 1.00 0.00 H new ATOM 387 N VAL A 26 6.798 7.931 -1.659 1.00 0.00 N ATOM 388 CA VAL A 26 7.095 8.907 -2.739 1.00 0.00 C ATOM 389 C VAL A 26 7.220 8.186 -4.085 1.00 0.00 C ATOM 390 O VAL A 26 7.298 8.807 -5.127 1.00 0.00 O ATOM 391 CB VAL A 26 8.425 9.532 -2.323 1.00 0.00 C ATOM 392 CG1 VAL A 26 9.215 9.937 -3.564 1.00 0.00 C ATOM 393 CG2 VAL A 26 8.159 10.770 -1.465 1.00 0.00 C ATOM 0 H VAL A 26 7.520 7.846 -0.943 1.00 0.00 H new ATOM 0 HA VAL A 26 6.312 9.655 -2.865 1.00 0.00 H new ATOM 0 HB VAL A 26 9.001 8.805 -1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.163 10.382 -3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.407 9.056 -4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.641 10.662 -4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.108 11.217 -1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.581 11.494 -2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.598 10.483 -0.575 1.00 0.00 H new ATOM 403 N LEU A 27 7.240 6.882 -4.072 1.00 0.00 N ATOM 404 CA LEU A 27 7.360 6.126 -5.351 1.00 0.00 C ATOM 405 C LEU A 27 5.981 5.656 -5.820 1.00 0.00 C ATOM 406 O LEU A 27 5.750 5.458 -6.997 1.00 0.00 O ATOM 407 CB LEU A 27 8.252 4.929 -5.022 1.00 0.00 C ATOM 408 CG LEU A 27 9.640 5.143 -5.626 1.00 0.00 C ATOM 409 CD1 LEU A 27 9.511 5.374 -7.133 1.00 0.00 C ATOM 410 CD2 LEU A 27 10.293 6.366 -4.978 1.00 0.00 C ATOM 0 H LEU A 27 7.178 6.307 -3.232 1.00 0.00 H new ATOM 0 HA LEU A 27 7.776 6.736 -6.153 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.329 4.806 -3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.810 4.014 -5.416 1.00 0.00 H new ATOM 0 HG LEU A 27 10.255 4.262 -5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.501 5.527 -7.564 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.044 4.505 -7.596 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.896 6.256 -7.315 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.283 6.520 -5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.677 7.247 -5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.385 6.203 -3.904 1.00 0.00 H new ATOM 422 N LEU A 28 5.063 5.470 -4.911 1.00 0.00 N ATOM 423 CA LEU A 28 3.705 5.008 -5.307 1.00 0.00 C ATOM 424 C LEU A 28 2.768 6.204 -5.495 1.00 0.00 C ATOM 425 O LEU A 28 3.099 7.323 -5.157 1.00 0.00 O ATOM 426 CB LEU A 28 3.237 4.141 -4.142 1.00 0.00 C ATOM 427 CG LEU A 28 4.283 3.064 -3.852 1.00 0.00 C ATOM 428 CD1 LEU A 28 4.221 2.674 -2.375 1.00 0.00 C ATOM 429 CD2 LEU A 28 4.000 1.834 -4.716 1.00 0.00 C ATOM 0 H LEU A 28 5.196 5.619 -3.911 1.00 0.00 H new ATOM 0 HA LEU A 28 3.711 4.463 -6.251 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.080 4.757 -3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.280 3.678 -4.382 1.00 0.00 H new ATOM 0 HG LEU A 28 5.275 3.451 -4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.967 1.906 -2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.423 3.550 -1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.229 2.287 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.745 1.066 -4.510 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.007 1.448 -4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.046 2.111 -5.769 1.00 0.00 H new ATOM 441 N SER A 29 1.599 5.978 -6.037 1.00 0.00 N ATOM 442 CA SER A 29 0.653 7.112 -6.245 1.00 0.00 C ATOM 443 C SER A 29 -0.361 7.196 -5.103 1.00 0.00 C ATOM 444 O SER A 29 -0.318 8.097 -4.289 1.00 0.00 O ATOM 445 CB SER A 29 -0.054 6.804 -7.563 1.00 0.00 C ATOM 446 OG SER A 29 -0.882 7.904 -7.918 1.00 0.00 O ATOM 0 H SER A 29 1.262 5.065 -6.342 1.00 0.00 H new ATOM 0 HA SER A 29 1.172 8.070 -6.269 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.679 6.617 -8.348 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.654 5.899 -7.465 1.00 0.00 H new ATOM 0 HG SER A 29 -1.337 7.711 -8.765 1.00 0.00 H new ATOM 452 N SER A 30 -1.281 6.274 -5.040 1.00 0.00 N ATOM 453 CA SER A 30 -2.304 6.321 -3.953 1.00 0.00 C ATOM 454 C SER A 30 -2.603 4.917 -3.420 1.00 0.00 C ATOM 455 O SER A 30 -1.871 3.978 -3.660 1.00 0.00 O ATOM 456 CB SER A 30 -3.548 6.915 -4.612 1.00 0.00 C ATOM 457 OG SER A 30 -3.805 6.230 -5.832 1.00 0.00 O ATOM 0 H SER A 30 -1.370 5.493 -5.690 1.00 0.00 H new ATOM 0 HA SER A 30 -1.963 6.909 -3.101 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.405 6.827 -3.944 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.401 7.978 -4.802 1.00 0.00 H new ATOM 0 HG SER A 30 -4.603 6.607 -6.257 1.00 0.00 H new ATOM 463 N TRP A 31 -3.680 4.777 -2.696 1.00 0.00 N ATOM 464 CA TRP A 31 -4.049 3.445 -2.134 1.00 0.00 C ATOM 465 C TRP A 31 -5.556 3.383 -1.906 1.00 0.00 C ATOM 466 O TRP A 31 -6.229 4.392 -1.878 1.00 0.00 O ATOM 467 CB TRP A 31 -3.330 3.364 -0.789 1.00 0.00 C ATOM 468 CG TRP A 31 -3.898 4.401 0.119 1.00 0.00 C ATOM 469 CD1 TRP A 31 -3.735 5.727 -0.046 1.00 0.00 C ATOM 470 CD2 TRP A 31 -4.719 4.232 1.311 1.00 0.00 C ATOM 471 NE1 TRP A 31 -4.394 6.391 0.971 1.00 0.00 N ATOM 472 CE2 TRP A 31 -5.019 5.513 1.833 1.00 0.00 C ATOM 473 CE3 TRP A 31 -5.226 3.107 1.986 1.00 0.00 C ATOM 474 CZ2 TRP A 31 -5.794 5.672 2.982 1.00 0.00 C ATOM 475 CZ3 TRP A 31 -6.007 3.264 3.143 1.00 0.00 C ATOM 476 CH2 TRP A 31 -6.290 4.544 3.639 1.00 0.00 C ATOM 0 H TRP A 31 -4.325 5.533 -2.468 1.00 0.00 H new ATOM 0 HA TRP A 31 -3.773 2.629 -2.802 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -3.453 2.372 -0.354 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -2.260 3.523 -0.922 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -3.179 6.196 -0.844 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -4.416 7.406 1.072 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.014 2.116 1.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.009 6.660 3.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -6.392 2.393 3.653 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -6.891 4.658 4.529 1.00 0.00 H new ATOM 487 N TYR A 32 -6.090 2.213 -1.719 1.00 0.00 N ATOM 488 CA TYR A 32 -7.553 2.103 -1.467 1.00 0.00 C ATOM 489 C TYR A 32 -7.839 0.856 -0.624 1.00 0.00 C ATOM 490 O TYR A 32 -7.307 -0.206 -0.877 1.00 0.00 O ATOM 491 CB TYR A 32 -8.204 2.039 -2.856 1.00 0.00 C ATOM 492 CG TYR A 32 -8.324 0.614 -3.333 1.00 0.00 C ATOM 493 CD1 TYR A 32 -9.262 -0.241 -2.750 1.00 0.00 C ATOM 494 CD2 TYR A 32 -7.504 0.155 -4.369 1.00 0.00 C ATOM 495 CE1 TYR A 32 -9.383 -1.560 -3.202 1.00 0.00 C ATOM 496 CE2 TYR A 32 -7.623 -1.165 -4.822 1.00 0.00 C ATOM 497 CZ TYR A 32 -8.563 -2.023 -4.238 1.00 0.00 C ATOM 498 OH TYR A 32 -8.680 -3.322 -4.685 1.00 0.00 O ATOM 0 H TYR A 32 -5.581 1.329 -1.729 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.954 2.945 -0.903 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.192 2.498 -2.820 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.611 2.615 -3.566 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.894 0.116 -1.950 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.780 0.818 -4.819 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.109 -2.221 -2.752 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.990 -1.521 -5.621 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.038 -3.478 -5.408 1.00 0.00 H new ATOM 508 N PRO A 33 -8.654 1.046 0.379 1.00 0.00 N ATOM 509 CA PRO A 33 -9.001 -0.056 1.315 1.00 0.00 C ATOM 510 C PRO A 33 -9.794 -1.159 0.609 1.00 0.00 C ATOM 511 O PRO A 33 -10.355 -0.959 -0.448 1.00 0.00 O ATOM 512 CB PRO A 33 -9.841 0.637 2.383 1.00 0.00 C ATOM 513 CG PRO A 33 -10.390 1.840 1.702 1.00 0.00 C ATOM 514 CD PRO A 33 -9.334 2.293 0.733 1.00 0.00 C ATOM 0 HA PRO A 33 -8.123 -0.555 1.725 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.638 -0.013 2.745 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.236 0.911 3.247 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.319 1.603 1.183 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.619 2.625 2.423 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.770 2.777 -0.141 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.651 3.010 1.187 1.00 0.00 H new ATOM 522 N THR A 34 -9.838 -2.327 1.187 1.00 0.00 N ATOM 523 CA THR A 34 -10.585 -3.446 0.547 1.00 0.00 C ATOM 524 C THR A 34 -11.851 -3.759 1.349 1.00 0.00 C ATOM 525 O THR A 34 -12.181 -3.077 2.297 1.00 0.00 O ATOM 526 CB THR A 34 -9.624 -4.642 0.575 1.00 0.00 C ATOM 527 OG1 THR A 34 -9.807 -5.365 1.784 1.00 0.00 O ATOM 528 CG2 THR A 34 -8.173 -4.153 0.488 1.00 0.00 C ATOM 0 H THR A 34 -9.389 -2.555 2.074 1.00 0.00 H new ATOM 0 HA THR A 34 -10.899 -3.203 -0.468 1.00 0.00 H new ATOM 0 HB THR A 34 -9.834 -5.289 -0.277 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.535 -6.012 1.672 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.499 -5.009 0.509 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.030 -3.601 -0.441 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.957 -3.501 1.334 1.00 0.00 H new ATOM 536 N SER A 35 -12.566 -4.785 0.972 1.00 0.00 N ATOM 537 CA SER A 35 -13.813 -5.135 1.711 1.00 0.00 C ATOM 538 C SER A 35 -13.703 -6.543 2.300 1.00 0.00 C ATOM 539 O SER A 35 -12.828 -7.309 1.946 1.00 0.00 O ATOM 540 CB SER A 35 -14.922 -5.081 0.662 1.00 0.00 C ATOM 541 OG SER A 35 -16.141 -4.706 1.289 1.00 0.00 O ATOM 0 H SER A 35 -12.341 -5.395 0.186 1.00 0.00 H new ATOM 0 HA SER A 35 -14.003 -4.457 2.543 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.666 -4.365 -0.119 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.031 -6.053 0.180 1.00 0.00 H new ATOM 0 HG SER A 35 -16.855 -4.668 0.619 1.00 0.00 H new ATOM 547 N GLN A 36 -14.586 -6.891 3.195 1.00 0.00 N ATOM 548 CA GLN A 36 -14.534 -8.251 3.802 1.00 0.00 C ATOM 549 C GLN A 36 -15.056 -9.291 2.807 1.00 0.00 C ATOM 550 O GLN A 36 -15.009 -10.480 3.053 1.00 0.00 O ATOM 551 CB GLN A 36 -15.446 -8.175 5.027 1.00 0.00 C ATOM 552 CG GLN A 36 -14.721 -8.761 6.240 1.00 0.00 C ATOM 553 CD GLN A 36 -14.840 -7.797 7.421 1.00 0.00 C ATOM 554 OE1 GLN A 36 -14.879 -6.596 7.239 1.00 0.00 O ATOM 555 NE2 GLN A 36 -14.902 -8.274 8.634 1.00 0.00 N ATOM 0 H GLN A 36 -15.341 -6.293 3.532 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.519 -8.546 4.069 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.725 -7.140 5.222 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -16.369 -8.724 4.841 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -15.151 -9.728 6.502 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.671 -8.933 6.002 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.869 -9.282 8.788 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.983 -7.639 9.428 1.00 0.00 H new ATOM 564 N LEU A 37 -15.553 -8.851 1.683 1.00 0.00 N ATOM 565 CA LEU A 37 -16.077 -9.814 0.673 1.00 0.00 C ATOM 566 C LEU A 37 -15.065 -10.938 0.443 1.00 0.00 C ATOM 567 O LEU A 37 -15.427 -12.079 0.230 1.00 0.00 O ATOM 568 CB LEU A 37 -16.265 -8.990 -0.601 1.00 0.00 C ATOM 569 CG LEU A 37 -17.572 -9.394 -1.283 1.00 0.00 C ATOM 570 CD1 LEU A 37 -17.643 -10.919 -1.386 1.00 0.00 C ATOM 571 CD2 LEU A 37 -18.756 -8.884 -0.457 1.00 0.00 C ATOM 0 H LEU A 37 -15.619 -7.867 1.421 1.00 0.00 H new ATOM 0 HA LEU A 37 -17.007 -10.284 0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -16.282 -7.927 -0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.425 -9.150 -1.277 1.00 0.00 H new ATOM 0 HG LEU A 37 -17.610 -8.960 -2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.575 -11.208 -1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -16.800 -11.284 -1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -17.605 -11.353 -0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -19.689 -9.171 -0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -18.717 -9.319 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -18.706 -7.798 -0.382 1.00 0.00 H new ATOM 583 N CYS A 38 -13.802 -10.624 0.487 1.00 0.00 N ATOM 584 CA CYS A 38 -12.764 -11.675 0.274 1.00 0.00 C ATOM 585 C CYS A 38 -12.452 -12.382 1.596 1.00 0.00 C ATOM 586 O CYS A 38 -13.200 -12.293 2.549 1.00 0.00 O ATOM 587 CB CYS A 38 -11.535 -10.922 -0.236 1.00 0.00 C ATOM 588 SG CYS A 38 -11.713 -10.611 -2.011 1.00 0.00 S ATOM 0 H CYS A 38 -13.441 -9.686 0.661 1.00 0.00 H new ATOM 0 HA CYS A 38 -13.090 -12.442 -0.428 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -11.424 -9.979 0.300 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -10.633 -11.505 -0.046 1.00 0.00 H new ATOM 593 N SER A 39 -11.355 -13.087 1.661 1.00 0.00 N ATOM 594 CA SER A 39 -11.001 -13.799 2.923 1.00 0.00 C ATOM 595 C SER A 39 -10.599 -12.794 4.005 1.00 0.00 C ATOM 596 O SER A 39 -11.150 -12.777 5.088 1.00 0.00 O ATOM 597 CB SER A 39 -9.819 -14.694 2.556 1.00 0.00 C ATOM 598 OG SER A 39 -8.626 -14.144 3.099 1.00 0.00 O ATOM 0 H SER A 39 -10.690 -13.201 0.896 1.00 0.00 H new ATOM 0 HA SER A 39 -11.838 -14.373 3.320 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.977 -15.701 2.942 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.734 -14.778 1.473 1.00 0.00 H new ATOM 0 HG SER A 39 -7.866 -14.717 2.866 1.00 0.00 H new ATOM 604 N LYS A 40 -9.643 -11.959 3.717 1.00 0.00 N ATOM 605 CA LYS A 40 -9.202 -10.953 4.725 1.00 0.00 C ATOM 606 C LYS A 40 -9.020 -9.584 4.063 1.00 0.00 C ATOM 607 O LYS A 40 -8.354 -9.465 3.054 1.00 0.00 O ATOM 608 CB LYS A 40 -7.864 -11.477 5.250 1.00 0.00 C ATOM 609 CG LYS A 40 -7.965 -11.713 6.758 1.00 0.00 C ATOM 610 CD LYS A 40 -6.560 -11.824 7.353 1.00 0.00 C ATOM 611 CE LYS A 40 -6.071 -10.436 7.772 1.00 0.00 C ATOM 612 NZ LYS A 40 -4.613 -10.603 8.024 1.00 0.00 N ATOM 0 H LYS A 40 -9.146 -11.928 2.827 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.931 -10.824 5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.600 -12.405 4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.071 -10.760 5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.507 -10.893 7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.529 -12.624 6.957 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.570 -12.493 8.214 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.877 -12.256 6.622 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.255 -9.700 6.990 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.589 -10.088 8.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.099 -9.783 7.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.444 -10.674 9.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.277 -11.469 7.557 1.00 0.00 H new ATOM 626 N PRO A 41 -9.624 -8.595 4.661 1.00 0.00 N ATOM 627 CA PRO A 41 -9.537 -7.211 4.132 1.00 0.00 C ATOM 628 C PRO A 41 -8.137 -6.634 4.356 1.00 0.00 C ATOM 629 O PRO A 41 -7.237 -7.319 4.799 1.00 0.00 O ATOM 630 CB PRO A 41 -10.576 -6.449 4.943 1.00 0.00 C ATOM 631 CG PRO A 41 -10.713 -7.226 6.208 1.00 0.00 C ATOM 632 CD PRO A 41 -10.439 -8.668 5.875 1.00 0.00 C ATOM 0 HA PRO A 41 -9.717 -7.154 3.058 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.253 -5.427 5.139 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.526 -6.387 4.412 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.011 -6.864 6.960 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.714 -7.110 6.624 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.909 -9.172 6.683 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.362 -9.222 5.705 1.00 0.00 H new ATOM 640 N GLY A 42 -7.946 -5.377 4.054 1.00 0.00 N ATOM 641 CA GLY A 42 -6.605 -4.760 4.253 1.00 0.00 C ATOM 642 C GLY A 42 -6.485 -3.500 3.395 1.00 0.00 C ATOM 643 O GLY A 42 -7.469 -2.885 3.037 1.00 0.00 O ATOM 0 H GLY A 42 -8.660 -4.753 3.679 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.461 -4.511 5.304 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.823 -5.471 3.984 1.00 0.00 H new ATOM 647 N VAL A 43 -5.285 -3.113 3.059 1.00 0.00 N ATOM 648 CA VAL A 43 -5.103 -1.895 2.219 1.00 0.00 C ATOM 649 C VAL A 43 -4.207 -2.205 1.022 1.00 0.00 C ATOM 650 O VAL A 43 -3.143 -2.776 1.158 1.00 0.00 O ATOM 651 CB VAL A 43 -4.438 -0.864 3.137 1.00 0.00 C ATOM 652 CG1 VAL A 43 -3.530 0.053 2.313 1.00 0.00 C ATOM 653 CG2 VAL A 43 -5.516 -0.012 3.803 1.00 0.00 C ATOM 0 H VAL A 43 -4.423 -3.587 3.329 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.049 -1.529 1.820 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.849 -1.385 3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.059 0.785 2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.760 -0.543 1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.123 0.571 1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.047 0.723 4.457 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.098 0.502 3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.175 -0.652 4.390 1.00 0.00 H new ATOM 663 N ILE A 44 -4.622 -1.813 -0.147 1.00 0.00 N ATOM 664 CA ILE A 44 -3.783 -2.063 -1.351 1.00 0.00 C ATOM 665 C ILE A 44 -3.238 -0.730 -1.862 1.00 0.00 C ATOM 666 O ILE A 44 -3.929 0.268 -1.880 1.00 0.00 O ATOM 667 CB ILE A 44 -4.707 -2.732 -2.383 1.00 0.00 C ATOM 668 CG1 ILE A 44 -4.232 -2.390 -3.801 1.00 0.00 C ATOM 669 CG2 ILE A 44 -6.149 -2.251 -2.200 1.00 0.00 C ATOM 670 CD1 ILE A 44 -4.697 -0.982 -4.182 1.00 0.00 C ATOM 0 H ILE A 44 -5.504 -1.331 -0.322 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.927 -2.705 -1.143 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.672 -3.811 -2.234 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.145 -2.450 -3.854 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.626 -3.117 -4.511 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.790 -2.734 -2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.493 -2.506 -1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.192 -1.170 -2.334 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.356 -0.746 -5.190 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.785 -0.936 -4.147 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.281 -0.259 -3.480 1.00 0.00 H new ATOM 682 N PHE A 45 -1.996 -0.697 -2.256 1.00 0.00 N ATOM 683 CA PHE A 45 -1.407 0.577 -2.737 1.00 0.00 C ATOM 684 C PHE A 45 -1.172 0.531 -4.247 1.00 0.00 C ATOM 685 O PHE A 45 -0.727 -0.462 -4.787 1.00 0.00 O ATOM 686 CB PHE A 45 -0.065 0.673 -2.013 1.00 0.00 C ATOM 687 CG PHE A 45 -0.285 0.983 -0.552 1.00 0.00 C ATOM 688 CD1 PHE A 45 -0.453 2.308 -0.134 1.00 0.00 C ATOM 689 CD2 PHE A 45 -0.311 -0.057 0.385 1.00 0.00 C ATOM 690 CE1 PHE A 45 -0.649 2.592 1.223 1.00 0.00 C ATOM 691 CE2 PHE A 45 -0.504 0.228 1.740 1.00 0.00 C ATOM 692 CZ PHE A 45 -0.674 1.551 2.160 1.00 0.00 C ATOM 0 H PHE A 45 -1.365 -1.499 -2.265 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.061 1.427 -2.542 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.480 -0.265 -2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.548 1.450 -2.469 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.432 3.110 -0.857 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.182 -1.079 0.061 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.781 3.614 1.547 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.522 -0.574 2.463 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.825 1.770 3.207 1.00 0.00 H new ATOM 702 N LEU A 46 -1.452 1.604 -4.929 1.00 0.00 N ATOM 703 CA LEU A 46 -1.224 1.629 -6.398 1.00 0.00 C ATOM 704 C LEU A 46 -0.048 2.553 -6.711 1.00 0.00 C ATOM 705 O LEU A 46 -0.035 3.709 -6.335 1.00 0.00 O ATOM 706 CB LEU A 46 -2.516 2.180 -6.999 1.00 0.00 C ATOM 707 CG LEU A 46 -3.258 1.060 -7.728 1.00 0.00 C ATOM 708 CD1 LEU A 46 -2.286 0.315 -8.641 1.00 0.00 C ATOM 709 CD2 LEU A 46 -3.842 0.086 -6.702 1.00 0.00 C ATOM 0 H LEU A 46 -1.829 2.465 -4.533 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.986 0.645 -6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.146 2.597 -6.213 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.291 2.992 -7.691 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.064 1.486 -8.326 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.815 -0.484 -9.161 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.868 1.009 -9.371 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.480 -0.112 -8.044 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.372 -0.714 -7.220 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.036 -0.340 -6.105 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.535 0.617 -6.050 1.00 0.00 H new ATOM 721 N THR A 47 0.945 2.050 -7.386 1.00 0.00 N ATOM 722 CA THR A 47 2.127 2.895 -7.714 1.00 0.00 C ATOM 723 C THR A 47 1.706 4.088 -8.567 1.00 0.00 C ATOM 724 O THR A 47 0.582 4.544 -8.504 1.00 0.00 O ATOM 725 CB THR A 47 3.064 1.980 -8.506 1.00 0.00 C ATOM 726 OG1 THR A 47 2.525 1.761 -9.805 1.00 0.00 O ATOM 727 CG2 THR A 47 3.208 0.641 -7.779 1.00 0.00 C ATOM 0 H THR A 47 0.990 1.089 -7.726 1.00 0.00 H new ATOM 0 HA THR A 47 2.605 3.295 -6.820 1.00 0.00 H new ATOM 0 HB THR A 47 4.043 2.451 -8.593 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.193 1.313 -10.365 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.875 -0.010 -8.344 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.621 0.810 -6.785 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.230 0.168 -7.690 1.00 0.00 H new ATOM 735 N LYS A 48 2.601 4.585 -9.373 1.00 0.00 N ATOM 736 CA LYS A 48 2.264 5.736 -10.255 1.00 0.00 C ATOM 737 C LYS A 48 2.269 5.256 -11.706 1.00 0.00 C ATOM 738 O LYS A 48 2.222 6.035 -12.637 1.00 0.00 O ATOM 739 CB LYS A 48 3.372 6.762 -10.018 1.00 0.00 C ATOM 740 CG LYS A 48 2.969 7.695 -8.874 1.00 0.00 C ATOM 741 CD LYS A 48 3.769 8.996 -8.968 1.00 0.00 C ATOM 742 CE LYS A 48 4.690 9.119 -7.751 1.00 0.00 C ATOM 743 NZ LYS A 48 3.776 9.361 -6.600 1.00 0.00 N ATOM 0 H LYS A 48 3.557 4.241 -9.459 1.00 0.00 H new ATOM 0 HA LYS A 48 1.283 6.164 -10.048 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.306 6.255 -9.776 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.549 7.338 -10.926 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.901 7.908 -8.924 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.153 7.211 -7.915 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.358 9.008 -9.885 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.092 9.849 -9.013 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.276 8.211 -7.606 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.398 9.939 -7.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.129 10.162 -6.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.823 9.580 -6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.737 8.510 -6.003 1.00 0.00 H new ATOM 757 N ARG A 49 2.333 3.966 -11.893 1.00 0.00 N ATOM 758 CA ARG A 49 2.351 3.396 -13.266 1.00 0.00 C ATOM 759 C ARG A 49 1.153 2.466 -13.466 1.00 0.00 C ATOM 760 O ARG A 49 0.148 2.841 -14.036 1.00 0.00 O ATOM 761 CB ARG A 49 3.658 2.606 -13.335 1.00 0.00 C ATOM 762 CG ARG A 49 4.778 3.512 -13.851 1.00 0.00 C ATOM 763 CD ARG A 49 5.478 2.835 -15.031 1.00 0.00 C ATOM 764 NE ARG A 49 6.018 1.561 -14.479 1.00 0.00 N ATOM 765 CZ ARG A 49 5.998 0.476 -15.203 1.00 0.00 C ATOM 766 NH1 ARG A 49 4.876 -0.167 -15.385 1.00 0.00 N ATOM 767 NH2 ARG A 49 7.100 0.035 -15.746 1.00 0.00 N ATOM 0 H ARG A 49 2.374 3.276 -11.143 1.00 0.00 H new ATOM 0 HA ARG A 49 2.289 4.162 -14.039 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.914 2.220 -12.348 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.540 1.745 -13.993 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.369 4.474 -14.160 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.495 3.712 -13.055 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.782 2.647 -15.848 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.276 3.462 -15.429 1.00 0.00 H new ATOM 0 HE ARG A 49 6.403 1.537 -13.535 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.015 0.179 -14.961 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.860 -1.015 -15.951 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.976 0.539 -15.604 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.086 -0.813 -16.312 1.00 0.00 H new ATOM 781 N GLY A 50 1.257 1.252 -12.999 1.00 0.00 N ATOM 782 CA GLY A 50 0.131 0.291 -13.157 1.00 0.00 C ATOM 783 C GLY A 50 0.370 -0.923 -12.258 1.00 0.00 C ATOM 784 O GLY A 50 -0.107 -2.009 -12.525 1.00 0.00 O ATOM 0 H GLY A 50 2.075 0.884 -12.514 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.811 0.772 -12.895 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.050 -0.023 -14.198 1.00 0.00 H new ATOM 788 N ARG A 51 1.105 -0.749 -11.193 1.00 0.00 N ATOM 789 CA ARG A 51 1.374 -1.896 -10.278 1.00 0.00 C ATOM 790 C ARG A 51 0.592 -1.720 -8.974 1.00 0.00 C ATOM 791 O ARG A 51 0.530 -0.641 -8.418 1.00 0.00 O ATOM 792 CB ARG A 51 2.879 -1.847 -10.011 1.00 0.00 C ATOM 793 CG ARG A 51 3.560 -3.017 -10.723 1.00 0.00 C ATOM 794 CD ARG A 51 3.612 -4.225 -9.786 1.00 0.00 C ATOM 795 NE ARG A 51 3.109 -5.366 -10.601 1.00 0.00 N ATOM 796 CZ ARG A 51 2.364 -6.283 -10.049 1.00 0.00 C ATOM 797 NH1 ARG A 51 2.448 -6.507 -8.766 1.00 0.00 N ATOM 798 NH2 ARG A 51 1.532 -6.975 -10.780 1.00 0.00 N ATOM 0 H ARG A 51 1.530 0.136 -10.917 1.00 0.00 H new ATOM 0 HA ARG A 51 1.069 -2.850 -10.708 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.292 -0.902 -10.365 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.071 -1.898 -8.939 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.014 -3.271 -11.631 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.568 -2.735 -11.026 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.627 -4.408 -9.434 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.992 -4.067 -8.903 1.00 0.00 H new ATOM 0 HE ARG A 51 3.347 -5.430 -11.591 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.096 -5.965 -8.195 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.865 -7.224 -8.334 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.465 -6.798 -11.782 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.949 -7.692 -10.349 1.00 0.00 H new ATOM 812 N GLN A 52 -0.012 -2.769 -8.487 1.00 0.00 N ATOM 813 CA GLN A 52 -0.792 -2.658 -7.228 1.00 0.00 C ATOM 814 C GLN A 52 -0.074 -3.389 -6.091 1.00 0.00 C ATOM 815 O GLN A 52 0.684 -4.313 -6.310 1.00 0.00 O ATOM 816 CB GLN A 52 -2.125 -3.339 -7.532 1.00 0.00 C ATOM 817 CG GLN A 52 -2.462 -3.189 -9.019 1.00 0.00 C ATOM 818 CD GLN A 52 -3.978 -3.268 -9.209 1.00 0.00 C ATOM 819 OE1 GLN A 52 -4.664 -3.924 -8.450 1.00 0.00 O ATOM 820 NE2 GLN A 52 -4.533 -2.622 -10.197 1.00 0.00 N ATOM 0 H GLN A 52 0.003 -3.698 -8.909 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.918 -1.622 -6.913 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.072 -4.395 -7.267 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.915 -2.897 -6.925 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.087 -2.237 -9.394 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.971 -3.974 -9.595 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.957 -2.071 -10.834 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.543 -2.667 -10.333 1.00 0.00 H new ATOM 829 N VAL A 53 -0.311 -2.980 -4.877 1.00 0.00 N ATOM 830 CA VAL A 53 0.345 -3.638 -3.717 1.00 0.00 C ATOM 831 C VAL A 53 -0.681 -3.853 -2.600 1.00 0.00 C ATOM 832 O VAL A 53 -1.714 -3.220 -2.571 1.00 0.00 O ATOM 833 CB VAL A 53 1.427 -2.650 -3.281 1.00 0.00 C ATOM 834 CG1 VAL A 53 1.652 -2.769 -1.777 1.00 0.00 C ATOM 835 CG2 VAL A 53 2.732 -2.966 -4.017 1.00 0.00 C ATOM 0 H VAL A 53 -0.937 -2.211 -4.638 1.00 0.00 H new ATOM 0 HA VAL A 53 0.761 -4.616 -3.958 1.00 0.00 H new ATOM 0 HB VAL A 53 1.109 -1.635 -3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.424 -2.064 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.724 -2.545 -1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.970 -3.783 -1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.504 -2.262 -3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.049 -3.981 -3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.573 -2.880 -5.092 1.00 0.00 H new ATOM 845 N CYS A 54 -0.412 -4.742 -1.684 1.00 0.00 N ATOM 846 CA CYS A 54 -1.381 -4.983 -0.581 1.00 0.00 C ATOM 847 C CYS A 54 -0.645 -5.110 0.752 1.00 0.00 C ATOM 848 O CYS A 54 0.135 -6.019 0.951 1.00 0.00 O ATOM 849 CB CYS A 54 -2.057 -6.300 -0.937 1.00 0.00 C ATOM 850 SG CYS A 54 -3.790 -6.241 -0.421 1.00 0.00 S ATOM 0 H CYS A 54 0.435 -5.310 -1.652 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.096 -4.167 -0.474 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.991 -6.477 -2.010 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.547 -7.128 -0.445 1.00 0.00 H new ATOM 855 N ALA A 55 -0.879 -4.210 1.665 1.00 0.00 N ATOM 856 CA ALA A 55 -0.182 -4.297 2.978 1.00 0.00 C ATOM 857 C ALA A 55 -1.179 -4.101 4.123 1.00 0.00 C ATOM 858 O ALA A 55 -2.254 -3.564 3.940 1.00 0.00 O ATOM 859 CB ALA A 55 0.839 -3.163 2.954 1.00 0.00 C ATOM 0 H ALA A 55 -1.519 -3.422 1.560 1.00 0.00 H new ATOM 0 HA ALA A 55 0.288 -5.268 3.134 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.398 -3.157 3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.527 -3.310 2.121 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.322 -2.211 2.834 1.00 0.00 H new ATOM 865 N ASP A 56 -0.828 -4.535 5.301 1.00 0.00 N ATOM 866 CA ASP A 56 -1.753 -4.374 6.459 1.00 0.00 C ATOM 867 C ASP A 56 -1.732 -2.925 6.948 1.00 0.00 C ATOM 868 O ASP A 56 -0.729 -2.434 7.426 1.00 0.00 O ATOM 869 CB ASP A 56 -1.207 -5.316 7.534 1.00 0.00 C ATOM 870 CG ASP A 56 -2.283 -5.558 8.594 1.00 0.00 C ATOM 871 OD1 ASP A 56 -3.227 -4.787 8.640 1.00 0.00 O ATOM 872 OD2 ASP A 56 -2.144 -6.511 9.343 1.00 0.00 O ATOM 0 H ASP A 56 0.058 -4.994 5.513 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.786 -4.607 6.203 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.905 -6.262 7.084 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.319 -4.884 7.994 1.00 0.00 H new ATOM 877 N LYS A 57 -2.834 -2.236 6.833 1.00 0.00 N ATOM 878 CA LYS A 57 -2.880 -0.816 7.290 1.00 0.00 C ATOM 879 C LYS A 57 -2.276 -0.686 8.692 1.00 0.00 C ATOM 880 O LYS A 57 -1.914 0.390 9.124 1.00 0.00 O ATOM 881 CB LYS A 57 -4.365 -0.439 7.308 1.00 0.00 C ATOM 882 CG LYS A 57 -5.204 -1.643 7.744 1.00 0.00 C ATOM 883 CD LYS A 57 -5.920 -2.232 6.526 1.00 0.00 C ATOM 884 CE LYS A 57 -7.403 -2.428 6.849 1.00 0.00 C ATOM 885 NZ LYS A 57 -8.087 -2.436 5.525 1.00 0.00 N ATOM 0 H LYS A 57 -3.706 -2.594 6.442 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.306 -0.161 6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.529 0.395 7.990 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.677 -0.107 6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.566 -2.397 8.204 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.932 -1.339 8.496 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.809 -1.567 5.669 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.468 -3.185 6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.570 -3.362 7.386 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.779 -1.625 7.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.791 -1.671 5.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.385 -2.293 4.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.563 -3.350 5.386 1.00 0.00 H new ATOM 899 N SER A 58 -2.163 -1.772 9.408 1.00 0.00 N ATOM 900 CA SER A 58 -1.582 -1.704 10.781 1.00 0.00 C ATOM 901 C SER A 58 -0.051 -1.690 10.717 1.00 0.00 C ATOM 902 O SER A 58 0.620 -1.992 11.683 1.00 0.00 O ATOM 903 CB SER A 58 -2.078 -2.968 11.481 1.00 0.00 C ATOM 904 OG SER A 58 -1.149 -4.021 11.259 1.00 0.00 O ATOM 0 H SER A 58 -2.447 -2.703 9.103 1.00 0.00 H new ATOM 0 HA SER A 58 -1.881 -0.798 11.309 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.191 -2.786 12.550 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.060 -3.247 11.100 1.00 0.00 H new ATOM 0 HG SER A 58 -1.463 -4.834 11.708 1.00 0.00 H new ATOM 910 N LYS A 59 0.507 -1.338 9.590 1.00 0.00 N ATOM 911 CA LYS A 59 1.993 -1.302 9.475 1.00 0.00 C ATOM 912 C LYS A 59 2.486 0.141 9.500 1.00 0.00 C ATOM 913 O LYS A 59 2.145 0.946 8.658 1.00 0.00 O ATOM 914 CB LYS A 59 2.306 -1.960 8.132 1.00 0.00 C ATOM 915 CG LYS A 59 2.398 -3.476 8.313 1.00 0.00 C ATOM 916 CD LYS A 59 3.849 -3.874 8.595 1.00 0.00 C ATOM 917 CE LYS A 59 4.376 -3.077 9.790 1.00 0.00 C ATOM 918 NZ LYS A 59 5.811 -3.460 9.906 1.00 0.00 N ATOM 0 H LYS A 59 -0.001 -1.074 8.746 1.00 0.00 H new ATOM 0 HA LYS A 59 2.485 -1.818 10.300 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.530 -1.717 7.407 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.245 -1.573 7.736 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.757 -3.793 9.136 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.040 -3.982 7.416 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.910 -4.942 8.802 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.466 -3.684 7.717 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.265 -2.005 9.629 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.828 -3.321 10.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.242 -2.953 10.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.885 -4.485 10.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.309 -3.210 9.028 1.00 0.00 H new ATOM 932 N ASP A 60 3.284 0.467 10.473 1.00 0.00 N ATOM 933 CA ASP A 60 3.812 1.852 10.590 1.00 0.00 C ATOM 934 C ASP A 60 4.130 2.443 9.211 1.00 0.00 C ATOM 935 O ASP A 60 3.577 3.453 8.821 1.00 0.00 O ATOM 936 CB ASP A 60 5.085 1.701 11.417 1.00 0.00 C ATOM 937 CG ASP A 60 4.770 0.944 12.709 1.00 0.00 C ATOM 938 OD1 ASP A 60 4.459 -0.233 12.622 1.00 0.00 O ATOM 939 OD2 ASP A 60 4.843 1.554 13.763 1.00 0.00 O ATOM 0 H ASP A 60 3.597 -0.174 11.202 1.00 0.00 H new ATOM 0 HA ASP A 60 3.091 2.529 11.048 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.841 1.164 10.844 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.498 2.682 11.650 1.00 0.00 H new ATOM 944 N TRP A 61 5.019 1.835 8.471 1.00 0.00 N ATOM 945 CA TRP A 61 5.365 2.387 7.128 1.00 0.00 C ATOM 946 C TRP A 61 4.104 2.549 6.277 1.00 0.00 C ATOM 947 O TRP A 61 3.935 3.529 5.576 1.00 0.00 O ATOM 948 CB TRP A 61 6.322 1.367 6.503 1.00 0.00 C ATOM 949 CG TRP A 61 5.571 0.178 5.989 1.00 0.00 C ATOM 950 CD1 TRP A 61 5.241 -0.900 6.727 1.00 0.00 C ATOM 951 CD2 TRP A 61 5.072 -0.081 4.643 1.00 0.00 C ATOM 952 NE1 TRP A 61 4.577 -1.811 5.923 1.00 0.00 N ATOM 953 CE2 TRP A 61 4.447 -1.349 4.629 1.00 0.00 C ATOM 954 CE3 TRP A 61 5.099 0.653 3.446 1.00 0.00 C ATOM 955 CZ2 TRP A 61 3.876 -1.872 3.467 1.00 0.00 C ATOM 956 CZ3 TRP A 61 4.522 0.130 2.276 1.00 0.00 C ATOM 957 CH2 TRP A 61 3.912 -1.132 2.288 1.00 0.00 C ATOM 0 H TRP A 61 5.518 0.986 8.736 1.00 0.00 H new ATOM 0 HA TRP A 61 5.823 3.374 7.196 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.876 1.833 5.688 1.00 0.00 H new ATOM 0 HB3 TRP A 61 7.055 1.047 7.244 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.459 -1.032 7.776 1.00 0.00 H new ATOM 0 HE1 TRP A 61 4.227 -2.713 6.247 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.566 1.626 3.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.409 -2.846 3.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 4.549 0.704 1.362 1.00 0.00 H new ATOM 0 HH2 TRP A 61 3.471 -1.529 1.386 1.00 0.00 H new ATOM 968 N VAL A 62 3.214 1.604 6.340 1.00 0.00 N ATOM 969 CA VAL A 62 1.966 1.709 5.544 1.00 0.00 C ATOM 970 C VAL A 62 1.122 2.883 6.046 1.00 0.00 C ATOM 971 O VAL A 62 0.708 3.732 5.282 1.00 0.00 O ATOM 972 CB VAL A 62 1.262 0.377 5.779 1.00 0.00 C ATOM 973 CG1 VAL A 62 -0.245 0.574 5.698 1.00 0.00 C ATOM 974 CG2 VAL A 62 1.698 -0.620 4.708 1.00 0.00 C ATOM 0 H VAL A 62 3.297 0.762 6.909 1.00 0.00 H new ATOM 0 HA VAL A 62 2.145 1.893 4.485 1.00 0.00 H new ATOM 0 HB VAL A 62 1.526 -0.003 6.766 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.746 -0.379 5.866 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.560 1.289 6.458 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.510 0.954 4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.197 -1.574 4.873 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.432 -0.236 3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.777 -0.763 4.762 1.00 0.00 H new ATOM 984 N LYS A 63 0.865 2.949 7.322 1.00 0.00 N ATOM 985 CA LYS A 63 0.058 4.073 7.851 1.00 0.00 C ATOM 986 C LYS A 63 0.531 5.382 7.220 1.00 0.00 C ATOM 987 O LYS A 63 -0.250 6.132 6.670 1.00 0.00 O ATOM 988 CB LYS A 63 0.325 4.060 9.354 1.00 0.00 C ATOM 989 CG LYS A 63 -0.908 4.576 10.088 1.00 0.00 C ATOM 990 CD LYS A 63 -1.096 6.066 9.790 1.00 0.00 C ATOM 991 CE LYS A 63 -1.438 6.808 11.084 1.00 0.00 C ATOM 992 NZ LYS A 63 -0.181 7.509 11.468 1.00 0.00 N ATOM 0 H LYS A 63 1.180 2.273 8.017 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.005 3.981 7.629 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.563 3.049 9.684 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.189 4.683 9.587 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.790 4.018 9.775 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.797 4.420 11.161 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.186 6.477 9.352 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.892 6.203 9.058 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.253 7.515 10.930 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.758 6.116 11.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.335 8.041 12.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.575 6.810 11.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.096 8.165 10.710 1.00 0.00 H new ATOM 1006 N LYS A 64 1.805 5.656 7.275 1.00 0.00 N ATOM 1007 CA LYS A 64 2.313 6.908 6.652 1.00 0.00 C ATOM 1008 C LYS A 64 1.865 6.950 5.193 1.00 0.00 C ATOM 1009 O LYS A 64 1.481 7.982 4.677 1.00 0.00 O ATOM 1010 CB LYS A 64 3.837 6.820 6.748 1.00 0.00 C ATOM 1011 CG LYS A 64 4.474 7.802 5.759 1.00 0.00 C ATOM 1012 CD LYS A 64 5.302 8.835 6.525 1.00 0.00 C ATOM 1013 CE LYS A 64 6.792 8.571 6.292 1.00 0.00 C ATOM 1014 NZ LYS A 64 7.496 9.621 7.080 1.00 0.00 N ATOM 0 H LYS A 64 2.511 5.071 7.721 1.00 0.00 H new ATOM 0 HA LYS A 64 1.940 7.808 7.141 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.161 7.050 7.763 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.167 5.804 6.530 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.107 7.264 5.053 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.700 8.301 5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.044 9.841 6.194 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.075 8.782 7.590 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.073 7.572 6.626 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.044 8.636 5.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.524 9.506 6.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.214 10.561 6.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.242 9.530 8.084 1.00 0.00 H new ATOM 1028 N LEU A 65 1.900 5.828 4.527 1.00 0.00 N ATOM 1029 CA LEU A 65 1.465 5.797 3.105 1.00 0.00 C ATOM 1030 C LEU A 65 -0.005 6.206 3.005 1.00 0.00 C ATOM 1031 O LEU A 65 -0.351 7.159 2.343 1.00 0.00 O ATOM 1032 CB LEU A 65 1.653 4.347 2.659 1.00 0.00 C ATOM 1033 CG LEU A 65 3.109 4.129 2.254 1.00 0.00 C ATOM 1034 CD1 LEU A 65 3.502 2.682 2.535 1.00 0.00 C ATOM 1035 CD2 LEU A 65 3.270 4.416 0.760 1.00 0.00 C ATOM 0 H LEU A 65 2.211 4.934 4.907 1.00 0.00 H new ATOM 0 HA LEU A 65 2.034 6.485 2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.383 3.668 3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.993 4.124 1.821 1.00 0.00 H new ATOM 0 HG LEU A 65 3.750 4.800 2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.541 2.525 2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.385 2.473 3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.861 2.013 1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.309 4.261 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.629 3.744 0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.986 5.448 0.555 1.00 0.00 H new HETATM 1047 N MSE A 66 -0.872 5.491 3.660 1.00 0.00 N HETATM 1048 CA MSE A 66 -2.319 5.840 3.603 1.00 0.00 C HETATM 1049 C MSE A 66 -2.528 7.294 4.044 1.00 0.00 C HETATM 1050 O MSE A 66 -3.523 7.914 3.723 1.00 0.00 O HETATM 1051 CB MSE A 66 -2.999 4.871 4.576 1.00 0.00 C HETATM 1052 CG MSE A 66 -3.008 5.465 5.988 1.00 0.00 C HETATM 1053 SE MSE A 66 -4.865 6.345 6.153 1.00 0.00 SE HETATM 1054 CE MSE A 66 -5.264 5.752 8.087 1.00 0.00 C HETATM 0 H MSE A 66 -0.643 4.679 4.233 1.00 0.00 H new HETATM 0 HA MSE A 66 -2.729 5.755 2.597 1.00 0.00 H new HETATM 0 HB2 MSE A 66 -4.020 4.672 4.250 1.00 0.00 H new HETATM 0 HB3 MSE A 66 -2.473 3.916 4.578 1.00 0.00 H new HETATM 0 HG2 MSE A 66 -2.864 4.694 6.745 1.00 0.00 H new HETATM 0 HG3 MSE A 66 -2.208 6.194 6.119 1.00 0.00 H new HETATM 0 HE1 MSE A 66 -6.242 6.127 8.388 1.00 0.00 H new HETATM 0 HE2 MSE A 66 -5.260 4.663 8.142 1.00 0.00 H new HETATM 0 HE3 MSE A 66 -4.501 6.151 8.755 1.00 0.00 H new ATOM 1064 N GLN A 67 -1.597 7.839 4.779 1.00 0.00 N ATOM 1065 CA GLN A 67 -1.740 9.249 5.242 1.00 0.00 C ATOM 1066 C GLN A 67 -1.357 10.224 4.124 1.00 0.00 C ATOM 1067 O GLN A 67 -2.077 11.156 3.829 1.00 0.00 O ATOM 1068 CB GLN A 67 -0.774 9.378 6.421 1.00 0.00 C ATOM 1069 CG GLN A 67 -1.532 9.148 7.730 1.00 0.00 C ATOM 1070 CD GLN A 67 -2.033 10.489 8.272 1.00 0.00 C ATOM 1071 OE1 GLN A 67 -2.960 11.064 7.739 1.00 0.00 O ATOM 1072 NE2 GLN A 67 -1.455 11.012 9.317 1.00 0.00 N ATOM 0 H GLN A 67 -0.743 7.369 5.079 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.766 9.485 5.525 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.034 8.653 6.324 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.316 10.367 6.423 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.372 8.474 7.562 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.880 8.669 8.461 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.676 10.529 9.764 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.782 11.905 9.687 1.00 0.00 H new ATOM 1081 N GLN A 68 -0.226 10.019 3.502 1.00 0.00 N ATOM 1082 CA GLN A 68 0.197 10.940 2.406 1.00 0.00 C ATOM 1083 C GLN A 68 -0.529 10.587 1.105 1.00 0.00 C ATOM 1084 O GLN A 68 -0.738 11.424 0.250 1.00 0.00 O ATOM 1085 CB GLN A 68 1.702 10.712 2.259 1.00 0.00 C ATOM 1086 CG GLN A 68 2.457 11.677 3.174 1.00 0.00 C ATOM 1087 CD GLN A 68 2.420 13.083 2.573 1.00 0.00 C ATOM 1088 OE1 GLN A 68 2.039 14.029 3.233 1.00 0.00 O ATOM 1089 NE2 GLN A 68 2.801 13.261 1.337 1.00 0.00 N ATOM 0 H GLN A 68 0.421 9.257 3.704 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.040 11.981 2.627 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.951 9.682 2.515 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.004 10.865 1.223 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.006 11.682 4.166 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.489 11.348 3.295 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.121 12.467 0.783 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.779 14.194 0.926 1.00 0.00 H new ATOM 1098 N LEU A 69 -0.910 9.351 0.952 1.00 0.00 N ATOM 1099 CA LEU A 69 -1.619 8.930 -0.288 1.00 0.00 C ATOM 1100 C LEU A 69 -3.132 9.090 -0.112 1.00 0.00 C ATOM 1101 O LEU A 69 -3.647 8.975 0.981 1.00 0.00 O ATOM 1102 CB LEU A 69 -1.265 7.453 -0.466 1.00 0.00 C ATOM 1103 CG LEU A 69 0.211 7.212 -0.157 1.00 0.00 C ATOM 1104 CD1 LEU A 69 0.406 5.759 0.268 1.00 0.00 C ATOM 1105 CD2 LEU A 69 1.044 7.475 -1.407 1.00 0.00 C ATOM 0 H LEU A 69 -0.760 8.610 1.636 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.328 9.530 -1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.884 6.843 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.484 7.142 -1.487 1.00 0.00 H new ATOM 0 HG LEU A 69 0.526 7.881 0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.459 5.583 0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.191 5.557 1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.090 5.098 -0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.097 7.303 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.726 6.803 -2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.905 8.508 -1.726 1.00 0.00 H new ATOM 1117 N PRO A 70 -3.790 9.344 -1.209 1.00 0.00 N ATOM 1118 CA PRO A 70 -5.257 9.517 -1.197 1.00 0.00 C ATOM 1119 C PRO A 70 -5.956 8.155 -1.289 1.00 0.00 C ATOM 1120 O PRO A 70 -5.790 7.427 -2.246 1.00 0.00 O ATOM 1121 CB PRO A 70 -5.519 10.345 -2.449 1.00 0.00 C ATOM 1122 CG PRO A 70 -4.367 10.063 -3.371 1.00 0.00 C ATOM 1123 CD PRO A 70 -3.231 9.498 -2.551 1.00 0.00 C ATOM 0 HA PRO A 70 -5.630 9.989 -0.288 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.467 10.068 -2.910 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.579 11.407 -2.211 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.665 9.356 -4.145 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.053 10.976 -3.877 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.889 8.543 -2.951 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.371 10.168 -2.549 1.00 0.00 H new ATOM 1131 N VAL A 71 -6.739 7.806 -0.303 1.00 0.00 N ATOM 1132 CA VAL A 71 -7.446 6.492 -0.343 1.00 0.00 C ATOM 1133 C VAL A 71 -8.327 6.405 -1.591 1.00 0.00 C ATOM 1134 O VAL A 71 -9.500 6.722 -1.557 1.00 0.00 O ATOM 1135 CB VAL A 71 -8.309 6.462 0.917 1.00 0.00 C ATOM 1136 CG1 VAL A 71 -9.081 7.775 1.023 1.00 0.00 C ATOM 1137 CG2 VAL A 71 -9.297 5.297 0.829 1.00 0.00 C ATOM 0 H VAL A 71 -6.919 8.372 0.526 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.750 5.654 -0.381 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.676 6.334 1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.700 7.762 1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.379 8.607 1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.717 7.895 0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.914 5.274 1.728 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.935 5.426 -0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.747 4.360 0.742 1.00 0.00 H new ATOM 1147 N THR A 72 -7.767 5.981 -2.691 1.00 0.00 N ATOM 1148 CA THR A 72 -8.559 5.867 -3.953 1.00 0.00 C ATOM 1149 C THR A 72 -10.012 5.494 -3.645 1.00 0.00 C ATOM 1150 O THR A 72 -10.301 4.843 -2.660 1.00 0.00 O ATOM 1151 CB THR A 72 -7.878 4.751 -4.748 1.00 0.00 C ATOM 1152 OG1 THR A 72 -6.533 4.613 -4.310 1.00 0.00 O ATOM 1153 CG2 THR A 72 -7.899 5.093 -6.238 1.00 0.00 C ATOM 0 H THR A 72 -6.788 5.706 -2.772 1.00 0.00 H new ATOM 0 HA THR A 72 -8.587 6.807 -4.504 1.00 0.00 H new ATOM 0 HB THR A 72 -8.412 3.814 -4.587 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.096 3.897 -4.817 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.413 4.296 -6.801 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.931 5.197 -6.573 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.368 6.030 -6.404 1.00 0.00 H new ATOM 1161 N ALA A 73 -10.928 5.901 -4.481 1.00 0.00 N ATOM 1162 CA ALA A 73 -12.362 5.572 -4.237 1.00 0.00 C ATOM 1163 C ALA A 73 -12.896 4.671 -5.354 1.00 0.00 C ATOM 1164 O ALA A 73 -12.636 4.891 -6.521 1.00 0.00 O ATOM 1165 CB ALA A 73 -13.084 6.920 -4.244 1.00 0.00 C ATOM 0 H ALA A 73 -10.746 6.447 -5.323 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.509 5.036 -3.300 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.149 6.763 -4.070 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.677 7.555 -3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.941 7.404 -5.210 1.00 0.00 H new ATOM 1171 N ARG A 74 -13.642 3.658 -5.008 1.00 0.00 N ATOM 1172 CA ARG A 74 -14.192 2.745 -6.050 1.00 0.00 C ATOM 1173 C ARG A 74 -15.357 1.931 -5.480 1.00 0.00 C ATOM 1174 CB ARG A 74 -13.029 1.827 -6.427 1.00 0.00 C ATOM 1175 CG ARG A 74 -12.520 1.107 -5.177 1.00 0.00 C ATOM 1176 CD ARG A 74 -11.110 0.572 -5.433 1.00 0.00 C ATOM 1177 NE ARG A 74 -11.226 -0.240 -6.677 1.00 0.00 N ATOM 1178 CZ ARG A 74 -11.239 -1.544 -6.608 1.00 0.00 C ATOM 1179 NH1 ARG A 74 -11.946 -2.142 -5.688 1.00 0.00 N ATOM 1180 NH2 ARG A 74 -10.546 -2.249 -7.460 1.00 0.00 N ATOM 0 H ARG A 74 -13.895 3.423 -4.048 1.00 0.00 H new ATOM 0 HA ARG A 74 -14.578 3.288 -6.913 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -13.353 1.100 -7.172 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -12.224 2.408 -6.878 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -12.512 1.791 -4.329 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.190 0.287 -4.919 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.396 1.386 -5.558 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.760 -0.034 -4.597 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.295 0.223 -7.583 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.488 -1.591 -5.023 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.956 -3.161 -5.634 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.994 -1.781 -8.179 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.556 -3.268 -7.406 1.00 0.00 H new TER 1194 ARG A 74