USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 28:sc= 0.22 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.708 K(o=-0.71,f=-1.4) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 HIS : no HD1:sc= -0.525 X(o=-0.53,f=-0.22) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.469 K(o=-0.47,f=-3.9!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0137 USER MOD Single : A 23 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.188) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -85:sc= 1.25 USER MOD Single : A 38 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.754) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -132:sc= -1.43 (180deg=-6.01!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 147:sc= 0.0444 (180deg=-1.59!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 26:sc= -0.187 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -1.06 K(o=-1.1,f=-7.3!) USER MOD Single : A 63 SER OG : rot 68:sc= 0.633 USER MOD Single : A 65 LYS NZ :NH3+ -146:sc= -0.335 (180deg=-1.81!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0511 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.881 -15.537 -13.745 1.00 0.00 N ATOM 2 CA GLY A 1 -10.533 -14.286 -13.096 1.00 0.00 C ATOM 3 C GLY A 1 -10.974 -14.243 -11.647 1.00 0.00 C ATOM 4 O GLY A 1 -10.166 -14.438 -10.739 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.558 -15.517 -14.733 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.422 -16.326 -13.247 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.913 -15.666 -13.720 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.454 -14.141 -13.149 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.993 -13.459 -13.637 1.00 0.00 H new ATOM 8 N SER A 2 -12.260 -13.985 -11.428 1.00 0.00 N ATOM 9 CA SER A 2 -12.805 -13.911 -10.078 1.00 0.00 C ATOM 10 C SER A 2 -12.154 -14.951 -9.171 1.00 0.00 C ATOM 11 O SER A 2 -12.262 -16.153 -9.409 1.00 0.00 O ATOM 12 CB SER A 2 -14.321 -14.120 -10.105 1.00 0.00 C ATOM 13 OG SER A 2 -15.001 -12.890 -10.290 1.00 0.00 O ATOM 0 H SER A 2 -12.943 -13.824 -12.168 1.00 0.00 H new ATOM 0 HA SER A 2 -12.588 -12.920 -9.680 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.582 -14.808 -10.909 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.645 -14.582 -9.172 1.00 0.00 H new ATOM 0 HG SER A 2 -15.968 -13.050 -10.306 1.00 0.00 H new ATOM 19 N SER A 3 -11.478 -14.477 -8.129 1.00 0.00 N ATOM 20 CA SER A 3 -10.805 -15.364 -7.187 1.00 0.00 C ATOM 21 C SER A 3 -10.849 -14.790 -5.774 1.00 0.00 C ATOM 22 O SER A 3 -10.447 -13.651 -5.542 1.00 0.00 O ATOM 23 CB SER A 3 -9.353 -15.589 -7.613 1.00 0.00 C ATOM 24 OG SER A 3 -8.648 -14.362 -7.689 1.00 0.00 O ATOM 0 H SER A 3 -11.382 -13.484 -7.916 1.00 0.00 H new ATOM 0 HA SER A 3 -11.329 -16.320 -7.189 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.860 -16.252 -6.901 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.328 -16.087 -8.582 1.00 0.00 H new ATOM 0 HG SER A 3 -9.045 -13.718 -7.066 1.00 0.00 H new ATOM 30 N GLY A 4 -11.342 -15.590 -4.832 1.00 0.00 N ATOM 31 CA GLY A 4 -11.431 -15.145 -3.454 1.00 0.00 C ATOM 32 C GLY A 4 -10.078 -14.784 -2.873 1.00 0.00 C ATOM 33 O GLY A 4 -9.354 -15.650 -2.382 1.00 0.00 O ATOM 0 H GLY A 4 -11.681 -16.537 -4.999 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.090 -14.279 -3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.884 -15.931 -2.850 1.00 0.00 H new ATOM 37 N SER A 5 -9.734 -13.501 -2.930 1.00 0.00 N ATOM 38 CA SER A 5 -8.456 -13.028 -2.411 1.00 0.00 C ATOM 39 C SER A 5 -8.639 -11.746 -1.605 1.00 0.00 C ATOM 40 O SER A 5 -9.461 -10.896 -1.948 1.00 0.00 O ATOM 41 CB SER A 5 -7.473 -12.788 -3.558 1.00 0.00 C ATOM 42 OG SER A 5 -6.139 -12.728 -3.082 1.00 0.00 O ATOM 0 H SER A 5 -10.323 -12.771 -3.330 1.00 0.00 H new ATOM 0 HA SER A 5 -8.052 -13.796 -1.752 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.565 -13.588 -4.293 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.723 -11.857 -4.067 1.00 0.00 H new ATOM 0 HG SER A 5 -5.530 -12.576 -3.834 1.00 0.00 H new ATOM 48 N SER A 6 -7.865 -11.613 -0.532 1.00 0.00 N ATOM 49 CA SER A 6 -7.943 -10.437 0.326 1.00 0.00 C ATOM 50 C SER A 6 -8.174 -9.176 -0.502 1.00 0.00 C ATOM 51 O SER A 6 -7.535 -8.970 -1.533 1.00 0.00 O ATOM 52 CB SER A 6 -6.661 -10.293 1.148 1.00 0.00 C ATOM 53 OG SER A 6 -5.535 -10.105 0.308 1.00 0.00 O ATOM 0 H SER A 6 -7.177 -12.306 -0.237 1.00 0.00 H new ATOM 0 HA SER A 6 -8.787 -10.567 1.003 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.755 -9.448 1.830 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.517 -11.182 1.761 1.00 0.00 H new ATOM 0 HG SER A 6 -4.729 -10.014 0.857 1.00 0.00 H new ATOM 59 N GLY A 7 -9.093 -8.333 -0.041 1.00 0.00 N ATOM 60 CA GLY A 7 -9.393 -7.102 -0.749 1.00 0.00 C ATOM 61 C GLY A 7 -10.255 -7.334 -1.974 1.00 0.00 C ATOM 62 O GLY A 7 -10.009 -6.757 -3.034 1.00 0.00 O ATOM 0 H GLY A 7 -9.635 -8.481 0.810 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.903 -6.414 -0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.461 -6.623 -1.049 1.00 0.00 H new ATOM 66 N LYS A 8 -11.267 -8.183 -1.832 1.00 0.00 N ATOM 67 CA LYS A 8 -12.168 -8.492 -2.936 1.00 0.00 C ATOM 68 C LYS A 8 -13.625 -8.366 -2.501 1.00 0.00 C ATOM 69 O LYS A 8 -14.217 -9.322 -1.999 1.00 0.00 O ATOM 70 CB LYS A 8 -11.901 -9.904 -3.460 1.00 0.00 C ATOM 71 CG LYS A 8 -12.422 -10.140 -4.867 1.00 0.00 C ATOM 72 CD LYS A 8 -13.935 -10.278 -4.886 1.00 0.00 C ATOM 73 CE LYS A 8 -14.412 -11.019 -6.126 1.00 0.00 C ATOM 74 NZ LYS A 8 -14.322 -12.496 -5.957 1.00 0.00 N ATOM 0 H LYS A 8 -11.484 -8.670 -0.962 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.982 -7.774 -3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.827 -10.092 -3.443 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.361 -10.626 -2.785 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.123 -9.312 -5.510 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -11.968 -11.042 -5.277 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.264 -10.811 -3.994 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.392 -9.289 -4.854 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -15.443 -10.740 -6.342 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.813 -10.714 -6.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.656 -12.965 -6.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.334 -12.765 -5.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.913 -12.790 -5.154 1.00 0.00 H new ATOM 88 N ARG A 9 -14.197 -7.183 -2.697 1.00 0.00 N ATOM 89 CA ARG A 9 -15.584 -6.933 -2.324 1.00 0.00 C ATOM 90 C ARG A 9 -16.073 -5.609 -2.903 1.00 0.00 C ATOM 91 O ARG A 9 -15.352 -4.611 -2.889 1.00 0.00 O ATOM 92 CB ARG A 9 -15.731 -6.922 -0.802 1.00 0.00 C ATOM 93 CG ARG A 9 -14.812 -5.930 -0.108 1.00 0.00 C ATOM 94 CD ARG A 9 -13.481 -6.568 0.261 1.00 0.00 C ATOM 95 NE ARG A 9 -12.607 -5.638 0.971 1.00 0.00 N ATOM 96 CZ ARG A 9 -11.584 -6.023 1.727 1.00 0.00 C ATOM 97 NH1 ARG A 9 -11.309 -7.312 1.868 1.00 0.00 N ATOM 98 NH2 ARG A 9 -10.835 -5.117 2.342 1.00 0.00 N ATOM 0 H ARG A 9 -13.721 -6.382 -3.112 1.00 0.00 H new ATOM 0 HA ARG A 9 -16.195 -7.737 -2.735 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -16.764 -6.687 -0.547 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.528 -7.922 -0.419 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -14.638 -5.075 -0.761 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.297 -5.551 0.792 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.659 -7.445 0.883 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.982 -6.915 -0.644 1.00 0.00 H new ATOM 0 HE ARG A 9 -12.792 -4.639 0.882 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.883 -8.011 1.396 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.523 -7.605 2.449 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.044 -4.124 2.235 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.050 -5.413 2.922 1.00 0.00 H new ATOM 112 N GLN A 10 -17.301 -5.609 -3.412 1.00 0.00 N ATOM 113 CA GLN A 10 -17.884 -4.407 -3.997 1.00 0.00 C ATOM 114 C GLN A 10 -18.815 -3.717 -3.006 1.00 0.00 C ATOM 115 O GLN A 10 -19.900 -4.215 -2.706 1.00 0.00 O ATOM 116 CB GLN A 10 -18.649 -4.757 -5.275 1.00 0.00 C ATOM 117 CG GLN A 10 -17.772 -5.353 -6.365 1.00 0.00 C ATOM 118 CD GLN A 10 -17.481 -6.824 -6.140 1.00 0.00 C ATOM 119 OE1 GLN A 10 -18.353 -7.583 -5.717 1.00 0.00 O ATOM 120 NE2 GLN A 10 -16.250 -7.234 -6.423 1.00 0.00 N ATOM 0 H GLN A 10 -17.911 -6.427 -3.431 1.00 0.00 H new ATOM 0 HA GLN A 10 -17.073 -3.722 -4.243 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -19.442 -5.464 -5.032 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -19.130 -3.857 -5.659 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -18.262 -5.227 -7.330 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -16.832 -4.803 -6.411 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -15.559 -6.570 -6.772 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.996 -8.213 -6.292 1.00 0.00 H new ATOM 129 N LYS A 11 -18.385 -2.566 -2.501 1.00 0.00 N ATOM 130 CA LYS A 11 -19.179 -1.805 -1.544 1.00 0.00 C ATOM 131 C LYS A 11 -18.965 -0.306 -1.729 1.00 0.00 C ATOM 132 O LYS A 11 -17.844 0.146 -1.965 1.00 0.00 O ATOM 133 CB LYS A 11 -18.817 -2.210 -0.113 1.00 0.00 C ATOM 134 CG LYS A 11 -19.150 -3.655 0.213 1.00 0.00 C ATOM 135 CD LYS A 11 -18.648 -4.045 1.593 1.00 0.00 C ATOM 136 CE LYS A 11 -18.822 -5.535 1.848 1.00 0.00 C ATOM 137 NZ LYS A 11 -18.176 -5.958 3.121 1.00 0.00 N ATOM 0 H LYS A 11 -17.490 -2.139 -2.739 1.00 0.00 H new ATOM 0 HA LYS A 11 -20.231 -2.029 -1.723 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -17.750 -2.048 0.043 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -19.344 -1.558 0.584 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -20.229 -3.801 0.163 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -18.704 -4.310 -0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -17.595 -3.779 1.687 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -19.189 -3.479 2.352 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -19.884 -5.776 1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.394 -6.098 1.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -18.317 -6.979 3.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.158 -5.751 3.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.602 -5.439 3.916 1.00 0.00 H new ATOM 151 N ILE A 12 -20.045 0.460 -1.619 1.00 0.00 N ATOM 152 CA ILE A 12 -19.974 1.907 -1.772 1.00 0.00 C ATOM 153 C ILE A 12 -20.902 2.610 -0.787 1.00 0.00 C ATOM 154 O ILE A 12 -22.094 2.311 -0.719 1.00 0.00 O ATOM 155 CB ILE A 12 -20.340 2.341 -3.204 1.00 0.00 C ATOM 156 CG1 ILE A 12 -19.391 1.692 -4.215 1.00 0.00 C ATOM 157 CG2 ILE A 12 -20.296 3.857 -3.326 1.00 0.00 C ATOM 158 CD1 ILE A 12 -19.879 1.781 -5.644 1.00 0.00 C ATOM 0 H ILE A 12 -20.980 0.102 -1.424 1.00 0.00 H new ATOM 0 HA ILE A 12 -18.943 2.196 -1.566 1.00 0.00 H new ATOM 0 HB ILE A 12 -21.355 2.008 -3.421 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -18.414 2.170 -4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -19.253 0.643 -3.951 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -20.557 4.148 -4.344 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -21.008 4.299 -2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -19.292 4.212 -3.093 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -19.158 1.301 -6.305 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -20.842 1.278 -5.732 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -19.989 2.828 -5.926 1.00 0.00 H new ATOM 170 N HIS A 13 -20.347 3.549 -0.027 1.00 0.00 N ATOM 171 CA HIS A 13 -21.126 4.298 0.953 1.00 0.00 C ATOM 172 C HIS A 13 -21.132 5.787 0.620 1.00 0.00 C ATOM 173 O HIS A 13 -22.190 6.414 0.552 1.00 0.00 O ATOM 174 CB HIS A 13 -20.562 4.080 2.358 1.00 0.00 C ATOM 175 CG HIS A 13 -21.527 4.423 3.450 1.00 0.00 C ATOM 176 ND1 HIS A 13 -22.841 4.005 3.452 1.00 0.00 N ATOM 177 CD2 HIS A 13 -21.363 5.147 4.582 1.00 0.00 C ATOM 178 CE1 HIS A 13 -23.444 4.459 4.537 1.00 0.00 C ATOM 179 NE2 HIS A 13 -22.568 5.154 5.240 1.00 0.00 N ATOM 0 H HIS A 13 -19.362 3.809 -0.071 1.00 0.00 H new ATOM 0 HA HIS A 13 -22.152 3.933 0.920 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -20.263 3.037 2.463 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -19.662 4.683 2.477 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -20.453 5.630 4.907 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -24.477 4.290 4.803 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -22.756 5.620 6.128 1.00 0.00 H new ATOM 187 N LEU A 14 -19.945 6.347 0.413 1.00 0.00 N ATOM 188 CA LEU A 14 -19.813 7.762 0.087 1.00 0.00 C ATOM 189 C LEU A 14 -19.309 7.948 -1.341 1.00 0.00 C ATOM 190 O LEU A 14 -18.473 8.810 -1.608 1.00 0.00 O ATOM 191 CB LEU A 14 -18.859 8.445 1.069 1.00 0.00 C ATOM 192 CG LEU A 14 -19.387 8.642 2.491 1.00 0.00 C ATOM 193 CD1 LEU A 14 -19.302 7.342 3.276 1.00 0.00 C ATOM 194 CD2 LEU A 14 -18.616 9.746 3.198 1.00 0.00 C ATOM 0 H LEU A 14 -19.060 5.842 0.465 1.00 0.00 H new ATOM 0 HA LEU A 14 -20.798 8.221 0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.942 7.858 1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -18.590 9.421 0.664 1.00 0.00 H new ATOM 0 HG LEU A 14 -20.434 8.939 2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -19.682 7.501 4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -19.900 6.577 2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -18.264 7.015 3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -19.005 9.872 4.208 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -17.560 9.479 3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -18.729 10.679 2.646 1.00 0.00 H new ATOM 206 N GLY A 15 -19.827 7.134 -2.256 1.00 0.00 N ATOM 207 CA GLY A 15 -19.419 7.226 -3.646 1.00 0.00 C ATOM 208 C GLY A 15 -18.208 6.368 -3.953 1.00 0.00 C ATOM 209 O GLY A 15 -17.497 5.939 -3.045 1.00 0.00 O ATOM 0 H GLY A 15 -20.521 6.413 -2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.248 6.922 -4.285 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.195 8.265 -3.888 1.00 0.00 H new ATOM 213 N ASP A 16 -17.975 6.115 -5.236 1.00 0.00 N ATOM 214 CA ASP A 16 -16.841 5.301 -5.661 1.00 0.00 C ATOM 215 C ASP A 16 -15.558 6.127 -5.685 1.00 0.00 C ATOM 216 O ASP A 16 -15.361 6.960 -6.569 1.00 0.00 O ATOM 217 CB ASP A 16 -17.105 4.705 -7.044 1.00 0.00 C ATOM 218 CG ASP A 16 -16.285 3.455 -7.301 1.00 0.00 C ATOM 219 OD1 ASP A 16 -16.062 2.684 -6.344 1.00 0.00 O ATOM 220 OD2 ASP A 16 -15.868 3.248 -8.460 1.00 0.00 O ATOM 0 H ASP A 16 -18.556 6.461 -6.000 1.00 0.00 H new ATOM 0 HA ASP A 16 -16.716 4.491 -4.943 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -18.165 4.467 -7.138 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -16.877 5.449 -7.807 1.00 0.00 H new ATOM 225 N ARG A 17 -14.690 5.890 -4.707 1.00 0.00 N ATOM 226 CA ARG A 17 -13.427 6.613 -4.615 1.00 0.00 C ATOM 227 C ARG A 17 -12.256 5.645 -4.473 1.00 0.00 C ATOM 228 O ARG A 17 -11.330 5.885 -3.698 1.00 0.00 O ATOM 229 CB ARG A 17 -13.453 7.578 -3.429 1.00 0.00 C ATOM 230 CG ARG A 17 -14.499 8.673 -3.557 1.00 0.00 C ATOM 231 CD ARG A 17 -14.374 9.696 -2.439 1.00 0.00 C ATOM 232 NE ARG A 17 -13.280 10.634 -2.674 1.00 0.00 N ATOM 233 CZ ARG A 17 -12.938 11.593 -1.821 1.00 0.00 C ATOM 234 NH1 ARG A 17 -13.600 11.739 -0.682 1.00 0.00 N ATOM 235 NH2 ARG A 17 -11.930 12.407 -2.107 1.00 0.00 N ATOM 0 H ARG A 17 -14.838 5.203 -3.967 1.00 0.00 H new ATOM 0 HA ARG A 17 -13.295 7.183 -5.535 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.641 7.013 -2.516 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.470 8.037 -3.323 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.390 9.171 -4.521 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.495 8.230 -3.537 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.310 10.247 -2.346 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -14.212 9.180 -1.492 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.749 10.548 -3.541 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.374 11.114 -0.458 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.335 12.476 -0.029 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.418 12.296 -2.982 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.668 13.143 -1.452 1.00 0.00 H new ATOM 249 N SER A 18 -12.304 4.550 -5.225 1.00 0.00 N ATOM 250 CA SER A 18 -11.250 3.544 -5.179 1.00 0.00 C ATOM 251 C SER A 18 -10.616 3.359 -6.555 1.00 0.00 C ATOM 252 O SER A 18 -11.312 3.295 -7.567 1.00 0.00 O ATOM 253 CB SER A 18 -11.809 2.211 -4.679 1.00 0.00 C ATOM 254 OG SER A 18 -12.894 1.780 -5.483 1.00 0.00 O ATOM 0 H SER A 18 -13.062 4.337 -5.874 1.00 0.00 H new ATOM 0 HA SER A 18 -10.482 3.889 -4.487 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.022 1.456 -4.689 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.137 2.316 -3.645 1.00 0.00 H new ATOM 0 HG SER A 18 -13.233 0.925 -5.144 1.00 0.00 H new ATOM 260 N GLN A 19 -9.289 3.274 -6.581 1.00 0.00 N ATOM 261 CA GLN A 19 -8.561 3.097 -7.832 1.00 0.00 C ATOM 262 C GLN A 19 -7.668 1.863 -7.772 1.00 0.00 C ATOM 263 O GLN A 19 -7.315 1.391 -6.691 1.00 0.00 O ATOM 264 CB GLN A 19 -7.717 4.337 -8.135 1.00 0.00 C ATOM 265 CG GLN A 19 -7.450 4.544 -9.617 1.00 0.00 C ATOM 266 CD GLN A 19 -8.648 5.112 -10.352 1.00 0.00 C ATOM 267 OE1 GLN A 19 -9.774 4.641 -10.187 1.00 0.00 O ATOM 268 NE2 GLN A 19 -8.412 6.131 -11.171 1.00 0.00 N ATOM 0 H GLN A 19 -8.698 3.325 -5.752 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.290 2.957 -8.631 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.224 5.217 -7.739 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.765 4.255 -7.611 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.601 5.217 -9.739 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.169 3.592 -10.068 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.463 6.490 -11.278 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.179 6.554 -11.693 1.00 0.00 H new ATOM 277 N LYS A 20 -7.305 1.343 -8.939 1.00 0.00 N ATOM 278 CA LYS A 20 -6.452 0.163 -9.021 1.00 0.00 C ATOM 279 C LYS A 20 -5.039 0.542 -9.453 1.00 0.00 C ATOM 280 O LYS A 20 -4.802 0.870 -10.616 1.00 0.00 O ATOM 281 CB LYS A 20 -7.043 -0.851 -10.003 1.00 0.00 C ATOM 282 CG LYS A 20 -6.225 -2.125 -10.126 1.00 0.00 C ATOM 283 CD LYS A 20 -7.019 -3.235 -10.794 1.00 0.00 C ATOM 284 CE LYS A 20 -6.141 -4.437 -11.109 1.00 0.00 C ATOM 285 NZ LYS A 20 -6.934 -5.578 -11.644 1.00 0.00 N ATOM 0 H LYS A 20 -7.589 1.721 -9.843 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.401 -0.288 -8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.053 -1.107 -9.684 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.127 -0.387 -10.986 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.322 -1.924 -10.703 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.905 -2.450 -9.136 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.837 -3.542 -10.142 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.468 -2.860 -11.714 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.381 -4.151 -11.836 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.617 -4.751 -10.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.300 -6.377 -11.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.643 -5.868 -10.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.414 -5.287 -12.520 1.00 0.00 H new ATOM 299 N CYS A 21 -4.104 0.494 -8.510 1.00 0.00 N ATOM 300 CA CYS A 21 -2.715 0.831 -8.793 1.00 0.00 C ATOM 301 C CYS A 21 -2.230 0.124 -10.055 1.00 0.00 C ATOM 302 O CYS A 21 -2.800 -0.883 -10.473 1.00 0.00 O ATOM 303 CB CYS A 21 -1.824 0.450 -7.608 1.00 0.00 C ATOM 304 SG CYS A 21 -0.051 0.770 -7.877 1.00 0.00 S ATOM 0 H CYS A 21 -4.284 0.225 -7.543 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.654 1.907 -8.954 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.152 1.003 -6.728 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.962 -0.609 -7.389 1.00 0.00 H new ATOM 309 N SER A 22 -1.173 0.660 -10.658 1.00 0.00 N ATOM 310 CA SER A 22 -0.613 0.084 -11.875 1.00 0.00 C ATOM 311 C SER A 22 0.710 -0.619 -11.584 1.00 0.00 C ATOM 312 O SER A 22 1.012 -1.663 -12.163 1.00 0.00 O ATOM 313 CB SER A 22 -0.404 1.171 -12.930 1.00 0.00 C ATOM 314 OG SER A 22 -1.642 1.716 -13.353 1.00 0.00 O ATOM 0 H SER A 22 -0.687 1.492 -10.323 1.00 0.00 H new ATOM 0 HA SER A 22 -1.320 -0.652 -12.258 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.225 1.962 -12.522 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.125 0.754 -13.787 1.00 0.00 H new ATOM 0 HG SER A 22 -1.481 2.410 -14.026 1.00 0.00 H new ATOM 320 N LYS A 23 1.494 -0.040 -10.682 1.00 0.00 N ATOM 321 CA LYS A 23 2.785 -0.609 -10.311 1.00 0.00 C ATOM 322 C LYS A 23 2.620 -2.028 -9.776 1.00 0.00 C ATOM 323 O LYS A 23 3.192 -2.976 -10.314 1.00 0.00 O ATOM 324 CB LYS A 23 3.469 0.267 -9.259 1.00 0.00 C ATOM 325 CG LYS A 23 4.720 -0.358 -8.668 1.00 0.00 C ATOM 326 CD LYS A 23 5.961 0.024 -9.458 1.00 0.00 C ATOM 327 CE LYS A 23 7.116 -0.924 -9.174 1.00 0.00 C ATOM 328 NZ LYS A 23 8.287 -0.650 -10.052 1.00 0.00 N ATOM 0 H LYS A 23 1.258 0.824 -10.193 1.00 0.00 H new ATOM 0 HA LYS A 23 3.408 -0.646 -11.205 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.729 1.225 -9.709 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.762 0.474 -8.456 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.834 -0.037 -7.633 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.615 -1.443 -8.656 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.733 0.012 -10.524 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.255 1.043 -9.206 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.415 -0.830 -8.130 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.786 -1.953 -9.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.143 -1.058 -9.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.128 -1.078 -10.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.409 0.377 -10.158 1.00 0.00 H new ATOM 342 N CYS A 24 1.833 -2.168 -8.714 1.00 0.00 N ATOM 343 CA CYS A 24 1.591 -3.470 -8.106 1.00 0.00 C ATOM 344 C CYS A 24 0.243 -4.035 -8.548 1.00 0.00 C ATOM 345 O CYS A 24 0.139 -5.204 -8.916 1.00 0.00 O ATOM 346 CB CYS A 24 1.635 -3.361 -6.581 1.00 0.00 C ATOM 347 SG CYS A 24 0.216 -2.479 -5.857 1.00 0.00 S ATOM 0 H CYS A 24 1.352 -1.394 -8.257 1.00 0.00 H new ATOM 0 HA CYS A 24 2.377 -4.149 -8.438 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.680 -4.364 -6.157 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.553 -2.850 -6.290 1.00 0.00 H new ATOM 352 N GLY A 25 -0.786 -3.194 -8.508 1.00 0.00 N ATOM 353 CA GLY A 25 -2.113 -3.627 -8.906 1.00 0.00 C ATOM 354 C GLY A 25 -3.025 -3.867 -7.719 1.00 0.00 C ATOM 355 O GLY A 25 -3.859 -4.773 -7.743 1.00 0.00 O ATOM 0 H GLY A 25 -0.725 -2.221 -8.207 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.558 -2.873 -9.556 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.033 -4.544 -9.490 1.00 0.00 H new ATOM 359 N ILE A 26 -2.865 -3.057 -6.679 1.00 0.00 N ATOM 360 CA ILE A 26 -3.681 -3.187 -5.478 1.00 0.00 C ATOM 361 C ILE A 26 -4.761 -2.111 -5.427 1.00 0.00 C ATOM 362 O ILE A 26 -4.652 -1.077 -6.086 1.00 0.00 O ATOM 363 CB ILE A 26 -2.822 -3.097 -4.202 1.00 0.00 C ATOM 364 CG1 ILE A 26 -3.614 -3.598 -2.992 1.00 0.00 C ATOM 365 CG2 ILE A 26 -2.353 -1.667 -3.980 1.00 0.00 C ATOM 366 CD1 ILE A 26 -2.811 -3.615 -1.710 1.00 0.00 C ATOM 0 H ILE A 26 -2.178 -2.304 -6.643 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.152 -4.169 -5.521 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.944 -3.731 -4.326 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.490 -2.965 -2.854 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.977 -4.605 -3.197 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.747 -1.619 -3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.757 -1.343 -4.833 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.218 -1.013 -3.873 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.435 -3.981 -0.895 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.949 -4.271 -1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.470 -2.605 -1.481 1.00 0.00 H new ATOM 378 N ILE A 27 -5.801 -2.363 -4.640 1.00 0.00 N ATOM 379 CA ILE A 27 -6.900 -1.414 -4.502 1.00 0.00 C ATOM 380 C ILE A 27 -6.660 -0.462 -3.335 1.00 0.00 C ATOM 381 O ILE A 27 -6.477 -0.892 -2.196 1.00 0.00 O ATOM 382 CB ILE A 27 -8.244 -2.137 -4.292 1.00 0.00 C ATOM 383 CG1 ILE A 27 -8.517 -3.098 -5.450 1.00 0.00 C ATOM 384 CG2 ILE A 27 -9.373 -1.126 -4.158 1.00 0.00 C ATOM 385 CD1 ILE A 27 -8.858 -2.400 -6.748 1.00 0.00 C ATOM 0 H ILE A 27 -5.906 -3.215 -4.089 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.944 -0.844 -5.430 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.189 -2.716 -3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.640 -3.726 -5.604 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.339 -3.760 -5.176 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.316 -1.652 -4.010 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.181 -0.477 -3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.431 -0.524 -5.065 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.039 -3.143 -7.524 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.753 -1.793 -6.611 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.028 -1.759 -7.046 1.00 0.00 H new ATOM 397 N PHE A 28 -6.664 0.835 -3.627 1.00 0.00 N ATOM 398 CA PHE A 28 -6.447 1.849 -2.602 1.00 0.00 C ATOM 399 C PHE A 28 -7.335 3.066 -2.845 1.00 0.00 C ATOM 400 O PHE A 28 -7.871 3.247 -3.939 1.00 0.00 O ATOM 401 CB PHE A 28 -4.977 2.273 -2.576 1.00 0.00 C ATOM 402 CG PHE A 28 -4.554 3.044 -3.794 1.00 0.00 C ATOM 403 CD1 PHE A 28 -4.338 2.397 -4.999 1.00 0.00 C ATOM 404 CD2 PHE A 28 -4.373 4.417 -3.732 1.00 0.00 C ATOM 405 CE1 PHE A 28 -3.949 3.104 -6.122 1.00 0.00 C ATOM 406 CE2 PHE A 28 -3.985 5.129 -4.851 1.00 0.00 C ATOM 407 CZ PHE A 28 -3.772 4.472 -6.047 1.00 0.00 C ATOM 0 H PHE A 28 -6.815 1.208 -4.564 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.710 1.416 -1.637 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.798 2.882 -1.690 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.352 1.385 -2.483 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.475 1.328 -5.063 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.537 4.936 -2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.784 2.588 -7.056 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.848 6.199 -4.790 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.468 5.027 -6.922 1.00 0.00 H new ATOM 417 N ILE A 29 -7.485 3.896 -1.819 1.00 0.00 N ATOM 418 CA ILE A 29 -8.307 5.096 -1.921 1.00 0.00 C ATOM 419 C ILE A 29 -7.504 6.267 -2.477 1.00 0.00 C ATOM 420 O ILE A 29 -6.460 6.630 -1.934 1.00 0.00 O ATOM 421 CB ILE A 29 -8.894 5.494 -0.554 1.00 0.00 C ATOM 422 CG1 ILE A 29 -9.749 4.357 0.009 1.00 0.00 C ATOM 423 CG2 ILE A 29 -9.715 6.768 -0.681 1.00 0.00 C ATOM 424 CD1 ILE A 29 -10.933 4.002 -0.863 1.00 0.00 C ATOM 0 H ILE A 29 -7.048 3.760 -0.907 1.00 0.00 H new ATOM 0 HA ILE A 29 -9.124 4.862 -2.604 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.072 5.682 0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.124 3.473 0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.109 4.639 0.998 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.123 7.036 0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.079 7.576 -1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.532 6.606 -1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.494 3.189 -0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.580 4.873 -0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.580 3.688 -1.845 1.00 0.00 H new ATOM 436 N ARG A 30 -7.998 6.854 -3.561 1.00 0.00 N ATOM 437 CA ARG A 30 -7.327 7.985 -4.191 1.00 0.00 C ATOM 438 C ARG A 30 -8.341 8.955 -4.790 1.00 0.00 C ATOM 439 O ARG A 30 -9.444 8.559 -5.168 1.00 0.00 O ATOM 440 CB ARG A 30 -6.369 7.496 -5.279 1.00 0.00 C ATOM 441 CG ARG A 30 -7.071 7.022 -6.540 1.00 0.00 C ATOM 442 CD ARG A 30 -7.282 8.163 -7.523 1.00 0.00 C ATOM 443 NE ARG A 30 -6.109 8.386 -8.364 1.00 0.00 N ATOM 444 CZ ARG A 30 -5.171 9.285 -8.092 1.00 0.00 C ATOM 445 NH1 ARG A 30 -5.267 10.042 -7.007 1.00 0.00 N ATOM 446 NH2 ARG A 30 -4.133 9.429 -8.906 1.00 0.00 N ATOM 0 H ARG A 30 -8.861 6.565 -4.022 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.758 8.510 -3.424 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.683 8.303 -5.537 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.766 6.680 -4.880 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.481 6.237 -7.013 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.034 6.583 -6.279 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.143 7.943 -8.154 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.513 9.076 -6.974 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.005 7.820 -9.206 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.063 9.934 -6.379 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.544 10.732 -6.801 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.056 8.849 -9.741 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.413 10.120 -8.696 1.00 0.00 H new ATOM 460 N ARG A 31 -7.960 10.225 -4.873 1.00 0.00 N ATOM 461 CA ARG A 31 -8.837 11.251 -5.424 1.00 0.00 C ATOM 462 C ARG A 31 -9.226 10.919 -6.862 1.00 0.00 C ATOM 463 O ARG A 31 -8.404 11.011 -7.774 1.00 0.00 O ATOM 464 CB ARG A 31 -8.153 12.619 -5.372 1.00 0.00 C ATOM 465 CG ARG A 31 -8.978 13.736 -5.989 1.00 0.00 C ATOM 466 CD ARG A 31 -8.235 15.063 -5.952 1.00 0.00 C ATOM 467 NE ARG A 31 -9.016 16.144 -6.545 1.00 0.00 N ATOM 468 CZ ARG A 31 -8.541 17.367 -6.751 1.00 0.00 C ATOM 469 NH1 ARG A 31 -7.293 17.662 -6.414 1.00 0.00 N ATOM 470 NH2 ARG A 31 -9.313 18.298 -7.296 1.00 0.00 N ATOM 0 H ARG A 31 -7.050 10.568 -4.566 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.743 11.282 -4.819 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.938 12.869 -4.333 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.196 12.557 -5.890 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.221 13.483 -7.021 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.922 13.831 -5.453 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.994 15.315 -4.919 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.290 14.964 -6.485 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.980 15.949 -6.816 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.696 16.949 -5.996 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.930 18.602 -6.573 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.273 18.075 -7.558 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.946 19.237 -7.453 1.00 0.00 H new ATOM 484 N SER A 32 -10.483 10.533 -7.056 1.00 0.00 N ATOM 485 CA SER A 32 -10.979 10.183 -8.381 1.00 0.00 C ATOM 486 C SER A 32 -10.434 11.142 -9.436 1.00 0.00 C ATOM 487 O SER A 32 -9.655 10.751 -10.305 1.00 0.00 O ATOM 488 CB SER A 32 -12.509 10.204 -8.398 1.00 0.00 C ATOM 489 OG SER A 32 -13.007 9.979 -9.705 1.00 0.00 O ATOM 0 H SER A 32 -11.176 10.455 -6.312 1.00 0.00 H new ATOM 0 HA SER A 32 -10.634 9.176 -8.617 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.894 9.440 -7.722 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.867 11.165 -8.029 1.00 0.00 H new ATOM 0 HG SER A 32 -13.987 9.995 -9.689 1.00 0.00 H new ATOM 495 N THR A 33 -10.851 12.402 -9.353 1.00 0.00 N ATOM 496 CA THR A 33 -10.407 13.417 -10.299 1.00 0.00 C ATOM 497 C THR A 33 -8.894 13.593 -10.247 1.00 0.00 C ATOM 498 O THR A 33 -8.258 13.295 -9.235 1.00 0.00 O ATOM 499 CB THR A 33 -11.080 14.775 -10.023 1.00 0.00 C ATOM 500 OG1 THR A 33 -12.504 14.638 -10.086 1.00 0.00 O ATOM 501 CG2 THR A 33 -10.621 15.821 -11.027 1.00 0.00 C ATOM 0 H THR A 33 -11.496 12.743 -8.640 1.00 0.00 H new ATOM 0 HA THR A 33 -10.696 13.072 -11.292 1.00 0.00 H new ATOM 0 HB THR A 33 -10.791 15.102 -9.024 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.924 15.505 -9.908 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.110 16.771 -10.812 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.540 15.944 -10.956 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.883 15.498 -12.034 1.00 0.00 H new ATOM 509 N LEU A 34 -8.322 14.080 -11.343 1.00 0.00 N ATOM 510 CA LEU A 34 -6.881 14.297 -11.422 1.00 0.00 C ATOM 511 C LEU A 34 -6.126 12.974 -11.343 1.00 0.00 C ATOM 512 O LEU A 34 -5.121 12.863 -10.641 1.00 0.00 O ATOM 513 CB LEU A 34 -6.423 15.227 -10.298 1.00 0.00 C ATOM 514 CG LEU A 34 -4.985 15.737 -10.393 1.00 0.00 C ATOM 515 CD1 LEU A 34 -4.918 16.990 -11.252 1.00 0.00 C ATOM 516 CD2 LEU A 34 -4.423 16.009 -9.006 1.00 0.00 C ATOM 0 H LEU A 34 -8.833 14.332 -12.189 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.661 14.763 -12.383 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.091 16.088 -10.271 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.539 14.703 -9.350 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.377 14.965 -10.865 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.887 17.338 -11.308 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.279 16.763 -12.255 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.540 17.768 -10.810 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.399 16.371 -9.093 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.033 16.762 -8.507 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.434 15.089 -8.422 1.00 0.00 H new ATOM 528 N SER A 35 -6.617 11.974 -12.068 1.00 0.00 N ATOM 529 CA SER A 35 -5.989 10.658 -12.078 1.00 0.00 C ATOM 530 C SER A 35 -5.615 10.245 -13.499 1.00 0.00 C ATOM 531 O SER A 35 -5.776 9.087 -13.883 1.00 0.00 O ATOM 532 CB SER A 35 -6.928 9.617 -11.463 1.00 0.00 C ATOM 533 OG SER A 35 -8.188 9.621 -12.111 1.00 0.00 O ATOM 0 H SER A 35 -7.447 12.050 -12.656 1.00 0.00 H new ATOM 0 HA SER A 35 -5.078 10.713 -11.482 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.479 8.627 -11.540 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.061 9.825 -10.401 1.00 0.00 H new ATOM 0 HG SER A 35 -8.758 10.312 -11.713 1.00 0.00 H new ATOM 539 N ARG A 36 -5.116 11.202 -14.274 1.00 0.00 N ATOM 540 CA ARG A 36 -4.720 10.940 -15.652 1.00 0.00 C ATOM 541 C ARG A 36 -3.261 11.325 -15.881 1.00 0.00 C ATOM 542 O ARG A 36 -2.436 10.485 -16.242 1.00 0.00 O ATOM 543 CB ARG A 36 -5.619 11.712 -16.619 1.00 0.00 C ATOM 544 CG ARG A 36 -7.040 11.177 -16.687 1.00 0.00 C ATOM 545 CD ARG A 36 -7.956 12.124 -17.446 1.00 0.00 C ATOM 546 NE ARG A 36 -9.354 11.706 -17.378 1.00 0.00 N ATOM 547 CZ ARG A 36 -10.271 12.059 -18.272 1.00 0.00 C ATOM 548 NH1 ARG A 36 -9.940 12.832 -19.296 1.00 0.00 N ATOM 549 NH2 ARG A 36 -11.523 11.638 -18.141 1.00 0.00 N ATOM 0 H ARG A 36 -4.976 12.166 -13.971 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.830 9.872 -15.838 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.648 12.759 -16.318 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.179 11.679 -17.616 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.040 10.202 -17.173 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.423 11.030 -15.677 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.858 13.129 -17.036 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.643 12.173 -18.489 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.642 11.110 -16.602 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.979 13.158 -19.399 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.646 13.101 -19.981 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.781 11.043 -17.354 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.227 11.909 -18.828 1.00 0.00 H new ATOM 563 N ARG A 37 -2.950 12.599 -15.670 1.00 0.00 N ATOM 564 CA ARG A 37 -1.592 13.096 -15.855 1.00 0.00 C ATOM 565 C ARG A 37 -0.606 12.317 -14.989 1.00 0.00 C ATOM 566 O ARG A 37 0.425 11.847 -15.471 1.00 0.00 O ATOM 567 CB ARG A 37 -1.519 14.585 -15.515 1.00 0.00 C ATOM 568 CG ARG A 37 -0.102 15.131 -15.467 1.00 0.00 C ATOM 569 CD ARG A 37 0.359 15.605 -16.837 1.00 0.00 C ATOM 570 NE ARG A 37 -0.323 16.829 -17.250 1.00 0.00 N ATOM 571 CZ ARG A 37 -1.407 16.842 -18.018 1.00 0.00 C ATOM 572 NH1 ARG A 37 -1.930 15.704 -18.453 1.00 0.00 N ATOM 573 NH2 ARG A 37 -1.971 17.996 -18.351 1.00 0.00 N ATOM 0 H ARG A 37 -3.621 13.307 -15.370 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.321 12.956 -16.901 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.090 15.146 -16.254 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.996 14.752 -14.549 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.053 15.958 -14.759 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.575 14.359 -15.101 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.435 15.778 -16.818 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.175 14.822 -17.572 1.00 0.00 H new ATOM 0 HE ARG A 37 0.053 17.722 -16.932 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.500 14.815 -18.198 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.762 15.718 -19.042 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.572 18.874 -18.017 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.803 18.006 -18.941 1.00 0.00 H new ATOM 587 N LYS A 38 -0.929 12.184 -13.707 1.00 0.00 N ATOM 588 CA LYS A 38 -0.074 11.462 -12.772 1.00 0.00 C ATOM 589 C LYS A 38 -0.290 9.957 -12.888 1.00 0.00 C ATOM 590 O LYS A 38 -1.159 9.499 -13.631 1.00 0.00 O ATOM 591 CB LYS A 38 -0.350 11.920 -11.338 1.00 0.00 C ATOM 592 CG LYS A 38 0.267 13.265 -10.999 1.00 0.00 C ATOM 593 CD LYS A 38 0.559 13.386 -9.513 1.00 0.00 C ATOM 594 CE LYS A 38 1.658 14.402 -9.242 1.00 0.00 C ATOM 595 NZ LYS A 38 3.008 13.774 -9.249 1.00 0.00 N ATOM 0 H LYS A 38 -1.778 12.567 -13.291 1.00 0.00 H new ATOM 0 HA LYS A 38 0.964 11.682 -13.023 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.428 11.975 -11.184 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.033 11.170 -10.646 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.190 13.396 -11.564 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.409 14.064 -11.304 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.348 13.680 -8.986 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.855 12.414 -9.119 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.619 15.188 -9.996 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.483 14.877 -8.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.708 14.459 -9.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.261 13.484 -8.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.000 12.940 -9.870 1.00 0.00 H new ATOM 609 N THR A 39 0.504 9.191 -12.146 1.00 0.00 N ATOM 610 CA THR A 39 0.398 7.737 -12.165 1.00 0.00 C ATOM 611 C THR A 39 -0.298 7.220 -10.912 1.00 0.00 C ATOM 612 O THR A 39 0.061 7.565 -9.786 1.00 0.00 O ATOM 613 CB THR A 39 1.784 7.075 -12.280 1.00 0.00 C ATOM 614 OG1 THR A 39 2.410 7.456 -13.510 1.00 0.00 O ATOM 615 CG2 THR A 39 1.667 5.560 -12.213 1.00 0.00 C ATOM 0 H THR A 39 1.227 9.553 -11.525 1.00 0.00 H new ATOM 0 HA THR A 39 -0.196 7.474 -13.041 1.00 0.00 H new ATOM 0 HB THR A 39 2.394 7.414 -11.443 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.291 7.032 -13.574 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.658 5.114 -12.296 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.218 5.271 -11.263 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.041 5.207 -13.032 1.00 0.00 H new ATOM 623 N PRO A 40 -1.317 6.370 -11.108 1.00 0.00 N ATOM 624 CA PRO A 40 -2.084 5.786 -10.004 1.00 0.00 C ATOM 625 C PRO A 40 -1.269 4.777 -9.202 1.00 0.00 C ATOM 626 O PRO A 40 -1.326 3.575 -9.460 1.00 0.00 O ATOM 627 CB PRO A 40 -3.250 5.091 -10.711 1.00 0.00 C ATOM 628 CG PRO A 40 -2.741 4.794 -12.079 1.00 0.00 C ATOM 629 CD PRO A 40 -1.799 5.915 -12.422 1.00 0.00 C ATOM 0 HA PRO A 40 -2.395 6.539 -9.280 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.541 4.179 -10.190 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.130 5.733 -10.747 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.229 3.832 -12.105 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.560 4.739 -12.797 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.980 5.572 -13.054 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.306 6.714 -12.963 1.00 0.00 H new ATOM 637 N MET A 41 -0.512 5.274 -8.229 1.00 0.00 N ATOM 638 CA MET A 41 0.313 4.414 -7.389 1.00 0.00 C ATOM 639 C MET A 41 -0.231 4.361 -5.965 1.00 0.00 C ATOM 640 O MET A 41 -0.519 5.395 -5.360 1.00 0.00 O ATOM 641 CB MET A 41 1.759 4.913 -7.376 1.00 0.00 C ATOM 642 CG MET A 41 2.507 4.640 -8.671 1.00 0.00 C ATOM 643 SD MET A 41 4.265 5.026 -8.552 1.00 0.00 S ATOM 644 CE MET A 41 4.945 3.404 -8.215 1.00 0.00 C ATOM 0 H MET A 41 -0.453 6.267 -8.003 1.00 0.00 H new ATOM 0 HA MET A 41 0.287 3.408 -7.807 1.00 0.00 H new ATOM 0 HB2 MET A 41 1.763 5.986 -7.183 1.00 0.00 H new ATOM 0 HB3 MET A 41 2.291 4.439 -6.551 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.387 3.591 -8.941 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.063 5.229 -9.474 1.00 0.00 H new ATOM 0 HE1 MET A 41 5.637 3.467 -7.376 1.00 0.00 H new ATOM 0 HE2 MET A 41 4.137 2.715 -7.968 1.00 0.00 H new ATOM 0 HE3 MET A 41 5.475 3.041 -9.096 1.00 0.00 H new ATOM 654 N CYS A 42 -0.371 3.151 -5.434 1.00 0.00 N ATOM 655 CA CYS A 42 -0.882 2.963 -4.081 1.00 0.00 C ATOM 656 C CYS A 42 0.135 3.434 -3.046 1.00 0.00 C ATOM 657 O CYS A 42 1.339 3.432 -3.299 1.00 0.00 O ATOM 658 CB CYS A 42 -1.224 1.491 -3.843 1.00 0.00 C ATOM 659 SG CYS A 42 0.214 0.374 -3.899 1.00 0.00 S ATOM 0 H CYS A 42 -0.138 2.285 -5.920 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.787 3.561 -3.974 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.708 1.394 -2.871 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.948 1.172 -4.593 1.00 0.00 H new ATOM 664 N GLU A 43 -0.360 3.837 -1.880 1.00 0.00 N ATOM 665 CA GLU A 43 0.506 4.312 -0.806 1.00 0.00 C ATOM 666 C GLU A 43 1.729 3.412 -0.656 1.00 0.00 C ATOM 667 O GLU A 43 2.853 3.892 -0.510 1.00 0.00 O ATOM 668 CB GLU A 43 -0.266 4.368 0.514 1.00 0.00 C ATOM 669 CG GLU A 43 -1.354 5.428 0.538 1.00 0.00 C ATOM 670 CD GLU A 43 -2.482 5.084 1.492 1.00 0.00 C ATOM 671 OE1 GLU A 43 -2.188 4.698 2.643 1.00 0.00 O ATOM 672 OE2 GLU A 43 -3.658 5.201 1.087 1.00 0.00 O ATOM 0 H GLU A 43 -1.355 3.844 -1.655 1.00 0.00 H new ATOM 0 HA GLU A 43 0.845 5.316 -1.063 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.716 3.393 0.704 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.434 4.560 1.327 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.918 6.384 0.826 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.758 5.552 -0.467 1.00 0.00 H new ATOM 679 N LYS A 44 1.501 2.103 -0.691 1.00 0.00 N ATOM 680 CA LYS A 44 2.582 1.134 -0.560 1.00 0.00 C ATOM 681 C LYS A 44 3.687 1.410 -1.575 1.00 0.00 C ATOM 682 O LYS A 44 4.873 1.329 -1.254 1.00 0.00 O ATOM 683 CB LYS A 44 2.046 -0.287 -0.747 1.00 0.00 C ATOM 684 CG LYS A 44 3.109 -1.362 -0.600 1.00 0.00 C ATOM 685 CD LYS A 44 3.315 -1.747 0.855 1.00 0.00 C ATOM 686 CE LYS A 44 2.167 -2.597 1.376 1.00 0.00 C ATOM 687 NZ LYS A 44 2.303 -4.023 0.967 1.00 0.00 N ATOM 0 H LYS A 44 0.576 1.689 -0.809 1.00 0.00 H new ATOM 0 HA LYS A 44 3.002 1.229 0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.256 -0.467 -0.018 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.593 -0.368 -1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.819 -2.243 -1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.049 -1.005 -1.019 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.251 -2.296 0.958 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.406 -0.846 1.461 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.132 -2.533 2.464 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.223 -2.200 1.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.501 -4.570 1.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.311 -4.087 -0.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.192 -4.409 1.345 1.00 0.00 H new ATOM 701 N CYS A 45 3.290 1.737 -2.800 1.00 0.00 N ATOM 702 CA CYS A 45 4.245 2.026 -3.862 1.00 0.00 C ATOM 703 C CYS A 45 4.786 3.447 -3.736 1.00 0.00 C ATOM 704 O CYS A 45 5.943 3.714 -4.059 1.00 0.00 O ATOM 705 CB CYS A 45 3.590 1.837 -5.232 1.00 0.00 C ATOM 706 SG CYS A 45 3.197 0.105 -5.636 1.00 0.00 S ATOM 0 H CYS A 45 2.312 1.808 -3.082 1.00 0.00 H new ATOM 0 HA CYS A 45 5.078 1.329 -3.766 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.673 2.424 -5.268 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.254 2.236 -5.999 1.00 0.00 H new ATOM 711 N ARG A 46 3.939 4.356 -3.264 1.00 0.00 N ATOM 712 CA ARG A 46 4.330 5.751 -3.096 1.00 0.00 C ATOM 713 C ARG A 46 5.729 5.854 -2.497 1.00 0.00 C ATOM 714 O ARG A 46 6.591 6.561 -3.021 1.00 0.00 O ATOM 715 CB ARG A 46 3.326 6.480 -2.202 1.00 0.00 C ATOM 716 CG ARG A 46 1.937 6.591 -2.810 1.00 0.00 C ATOM 717 CD ARG A 46 1.931 7.512 -4.020 1.00 0.00 C ATOM 718 NE ARG A 46 2.186 8.902 -3.651 1.00 0.00 N ATOM 719 CZ ARG A 46 1.248 9.727 -3.200 1.00 0.00 C ATOM 720 NH1 ARG A 46 -0.001 9.304 -3.063 1.00 0.00 N ATOM 721 NH2 ARG A 46 1.558 10.978 -2.885 1.00 0.00 N ATOM 0 H ARG A 46 2.978 4.152 -2.991 1.00 0.00 H new ATOM 0 HA ARG A 46 4.338 6.221 -4.079 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.255 5.957 -1.248 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.701 7.481 -1.990 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.587 5.601 -3.103 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.240 6.967 -2.061 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.688 7.181 -4.731 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.967 7.442 -4.524 1.00 0.00 H new ATOM 0 HE ARG A 46 3.137 9.259 -3.745 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.243 8.343 -3.304 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.720 9.940 -2.716 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.518 11.307 -2.989 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.837 11.610 -2.539 1.00 0.00 H new ATOM 735 N LYS A 47 5.949 5.145 -1.394 1.00 0.00 N ATOM 736 CA LYS A 47 7.243 5.156 -0.723 1.00 0.00 C ATOM 737 C LYS A 47 8.251 4.287 -1.470 1.00 0.00 C ATOM 738 O LYS A 47 9.409 4.669 -1.637 1.00 0.00 O ATOM 739 CB LYS A 47 7.097 4.661 0.718 1.00 0.00 C ATOM 740 CG LYS A 47 6.628 3.220 0.822 1.00 0.00 C ATOM 741 CD LYS A 47 6.408 2.808 2.268 1.00 0.00 C ATOM 742 CE LYS A 47 5.329 1.743 2.386 1.00 0.00 C ATOM 743 NZ LYS A 47 5.741 0.463 1.746 1.00 0.00 N ATOM 0 H LYS A 47 5.247 4.556 -0.946 1.00 0.00 H new ATOM 0 HA LYS A 47 7.611 6.182 -0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.056 4.760 1.226 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.390 5.303 1.244 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.701 3.097 0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.366 2.562 0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.341 2.430 2.686 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.126 3.681 2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.105 1.567 3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.411 2.103 1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.329 -0.335 2.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.404 0.443 0.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.778 0.387 1.759 1.00 0.00 H new ATOM 757 N ASP A 48 7.802 3.120 -1.918 1.00 0.00 N ATOM 758 CA ASP A 48 8.663 2.199 -2.650 1.00 0.00 C ATOM 759 C ASP A 48 9.656 2.961 -3.523 1.00 0.00 C ATOM 760 O ASP A 48 9.263 3.705 -4.421 1.00 0.00 O ATOM 761 CB ASP A 48 7.823 1.258 -3.514 1.00 0.00 C ATOM 762 CG ASP A 48 8.672 0.402 -4.433 1.00 0.00 C ATOM 763 OD1 ASP A 48 9.540 0.964 -5.133 1.00 0.00 O ATOM 764 OD2 ASP A 48 8.469 -0.830 -4.452 1.00 0.00 O ATOM 0 H ASP A 48 6.846 2.789 -1.787 1.00 0.00 H new ATOM 0 HA ASP A 48 9.223 1.609 -1.924 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.227 0.612 -2.869 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.125 1.844 -4.111 1.00 0.00 H new ATOM 769 N SER A 49 10.943 2.770 -3.251 1.00 0.00 N ATOM 770 CA SER A 49 11.992 3.443 -4.008 1.00 0.00 C ATOM 771 C SER A 49 12.118 2.849 -5.408 1.00 0.00 C ATOM 772 O SER A 49 11.888 3.531 -6.407 1.00 0.00 O ATOM 773 CB SER A 49 13.329 3.336 -3.274 1.00 0.00 C ATOM 774 OG SER A 49 13.318 4.099 -2.079 1.00 0.00 O ATOM 0 H SER A 49 11.284 2.155 -2.512 1.00 0.00 H new ATOM 0 HA SER A 49 11.721 4.495 -4.101 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.537 2.292 -3.040 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.133 3.683 -3.923 1.00 0.00 H new ATOM 0 HG SER A 49 14.184 4.012 -1.628 1.00 0.00 H new ATOM 780 N CYS A 50 12.484 1.573 -5.471 1.00 0.00 N ATOM 781 CA CYS A 50 12.642 0.886 -6.747 1.00 0.00 C ATOM 782 C CYS A 50 11.503 1.236 -7.698 1.00 0.00 C ATOM 783 O CYS A 50 10.360 0.833 -7.487 1.00 0.00 O ATOM 784 CB CYS A 50 12.695 -0.628 -6.532 1.00 0.00 C ATOM 785 SG CYS A 50 11.236 -1.308 -5.709 1.00 0.00 S ATOM 0 H CYS A 50 12.677 0.994 -4.653 1.00 0.00 H new ATOM 0 HA CYS A 50 13.580 1.216 -7.195 1.00 0.00 H new ATOM 0 HB2 CYS A 50 12.815 -1.117 -7.499 1.00 0.00 H new ATOM 0 HB3 CYS A 50 13.578 -0.870 -5.941 1.00 0.00 H new ATOM 0 HG CYS A 50 10.214 -0.535 -5.928 1.00 0.00 H new ATOM 791 N GLN A 51 11.823 1.991 -8.744 1.00 0.00 N ATOM 792 CA GLN A 51 10.826 2.398 -9.727 1.00 0.00 C ATOM 793 C GLN A 51 11.311 2.117 -11.145 1.00 0.00 C ATOM 794 O GLN A 51 10.552 1.638 -11.987 1.00 0.00 O ATOM 795 CB GLN A 51 10.503 3.885 -9.571 1.00 0.00 C ATOM 796 CG GLN A 51 9.402 4.167 -8.561 1.00 0.00 C ATOM 797 CD GLN A 51 8.810 5.554 -8.714 1.00 0.00 C ATOM 798 OE1 GLN A 51 9.280 6.513 -8.101 1.00 0.00 O ATOM 799 NE2 GLN A 51 7.773 5.668 -9.536 1.00 0.00 N ATOM 0 H GLN A 51 12.765 2.333 -8.933 1.00 0.00 H new ATOM 0 HA GLN A 51 9.921 1.816 -9.551 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.406 4.414 -9.268 1.00 0.00 H new ATOM 0 HB3 GLN A 51 10.207 4.287 -10.540 1.00 0.00 H new ATOM 0 HG2 GLN A 51 8.612 3.425 -8.674 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.802 4.056 -7.553 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.416 4.846 -10.024 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.334 6.577 -9.680 1.00 0.00 H new ATOM 808 N GLU A 52 12.581 2.418 -11.401 1.00 0.00 N ATOM 809 CA GLU A 52 13.166 2.198 -12.718 1.00 0.00 C ATOM 810 C GLU A 52 12.218 2.665 -13.820 1.00 0.00 C ATOM 811 O GLU A 52 12.159 2.070 -14.895 1.00 0.00 O ATOM 812 CB GLU A 52 13.500 0.717 -12.912 1.00 0.00 C ATOM 813 CG GLU A 52 12.278 -0.185 -12.929 1.00 0.00 C ATOM 814 CD GLU A 52 12.566 -1.545 -13.536 1.00 0.00 C ATOM 815 OE1 GLU A 52 13.717 -2.015 -13.418 1.00 0.00 O ATOM 816 OE2 GLU A 52 11.641 -2.138 -14.129 1.00 0.00 O ATOM 0 H GLU A 52 13.223 2.814 -10.714 1.00 0.00 H new ATOM 0 HA GLU A 52 14.084 2.782 -12.781 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.044 0.596 -13.849 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.167 0.396 -12.112 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.913 -0.316 -11.910 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.481 0.299 -13.493 1.00 0.00 H new ATOM 823 N ALA A 53 11.478 3.733 -13.542 1.00 0.00 N ATOM 824 CA ALA A 53 10.535 4.281 -14.508 1.00 0.00 C ATOM 825 C ALA A 53 11.238 5.201 -15.501 1.00 0.00 C ATOM 826 O ALA A 53 10.714 6.254 -15.863 1.00 0.00 O ATOM 827 CB ALA A 53 9.419 5.028 -13.792 1.00 0.00 C ATOM 0 H ALA A 53 11.514 4.236 -12.655 1.00 0.00 H new ATOM 0 HA ALA A 53 10.102 3.451 -15.066 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.722 5.432 -14.526 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.891 4.344 -13.128 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.844 5.844 -13.208 1.00 0.00 H new ATOM 833 N ALA A 54 12.426 4.797 -15.936 1.00 0.00 N ATOM 834 CA ALA A 54 13.200 5.584 -16.887 1.00 0.00 C ATOM 835 C ALA A 54 13.348 4.850 -18.216 1.00 0.00 C ATOM 836 O ALA A 54 14.105 3.884 -18.322 1.00 0.00 O ATOM 837 CB ALA A 54 14.568 5.916 -16.310 1.00 0.00 C ATOM 0 H ALA A 54 12.874 3.928 -15.645 1.00 0.00 H new ATOM 0 HA ALA A 54 12.662 6.513 -17.073 1.00 0.00 H new ATOM 0 HB1 ALA A 54 15.134 6.504 -17.032 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.446 6.489 -15.391 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.105 4.993 -16.093 1.00 0.00 H new ATOM 843 N LEU A 55 12.622 5.313 -19.227 1.00 0.00 N ATOM 844 CA LEU A 55 12.672 4.700 -20.549 1.00 0.00 C ATOM 845 C LEU A 55 13.537 5.522 -21.499 1.00 0.00 C ATOM 846 O LEU A 55 14.401 4.985 -22.190 1.00 0.00 O ATOM 847 CB LEU A 55 11.260 4.558 -21.121 1.00 0.00 C ATOM 848 CG LEU A 55 10.489 3.306 -20.703 1.00 0.00 C ATOM 849 CD1 LEU A 55 11.158 2.057 -21.256 1.00 0.00 C ATOM 850 CD2 LEU A 55 10.381 3.228 -19.187 1.00 0.00 C ATOM 0 H LEU A 55 11.991 6.111 -19.156 1.00 0.00 H new ATOM 0 HA LEU A 55 13.117 3.710 -20.446 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.680 5.433 -20.826 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.327 4.573 -22.209 1.00 0.00 H new ATOM 0 HG LEU A 55 9.483 3.368 -21.117 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.595 1.176 -20.948 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.183 2.109 -22.344 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.176 1.989 -20.872 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.829 2.331 -18.907 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.380 3.190 -18.753 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.856 4.108 -18.814 1.00 0.00 H new ATOM 862 N ASN A 56 13.300 6.830 -21.524 1.00 0.00 N ATOM 863 CA ASN A 56 14.060 7.727 -22.387 1.00 0.00 C ATOM 864 C ASN A 56 13.748 9.186 -22.065 1.00 0.00 C ATOM 865 O ASN A 56 12.606 9.630 -22.190 1.00 0.00 O ATOM 866 CB ASN A 56 13.747 7.440 -23.857 1.00 0.00 C ATOM 867 CG ASN A 56 14.844 7.923 -24.787 1.00 0.00 C ATOM 868 OD1 ASN A 56 14.745 8.998 -25.378 1.00 0.00 O ATOM 869 ND2 ASN A 56 15.899 7.126 -24.920 1.00 0.00 N ATOM 0 H ASN A 56 12.589 7.292 -20.957 1.00 0.00 H new ATOM 0 HA ASN A 56 15.121 7.552 -22.207 1.00 0.00 H new ATOM 0 HB2 ASN A 56 13.605 6.368 -23.993 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.807 7.922 -24.126 1.00 0.00 H new ATOM 0 HD21 ASN A 56 16.669 7.397 -25.532 1.00 0.00 H new ATOM 0 HD22 ASN A 56 15.939 6.243 -24.410 1.00 0.00 H new ATOM 876 N LYS A 57 14.770 9.926 -21.650 1.00 0.00 N ATOM 877 CA LYS A 57 14.607 11.335 -21.311 1.00 0.00 C ATOM 878 C LYS A 57 13.906 12.088 -22.437 1.00 0.00 C ATOM 879 O LYS A 57 14.210 11.888 -23.613 1.00 0.00 O ATOM 880 CB LYS A 57 15.969 11.973 -21.027 1.00 0.00 C ATOM 881 CG LYS A 57 15.905 13.476 -20.822 1.00 0.00 C ATOM 882 CD LYS A 57 16.096 14.226 -22.130 1.00 0.00 C ATOM 883 CE LYS A 57 17.544 14.183 -22.591 1.00 0.00 C ATOM 884 NZ LYS A 57 17.661 14.335 -24.068 1.00 0.00 N ATOM 0 H LYS A 57 15.721 9.573 -21.540 1.00 0.00 H new ATOM 0 HA LYS A 57 13.989 11.398 -20.415 1.00 0.00 H new ATOM 0 HB2 LYS A 57 16.399 11.511 -20.138 1.00 0.00 H new ATOM 0 HB3 LYS A 57 16.643 11.756 -21.856 1.00 0.00 H new ATOM 0 HG2 LYS A 57 14.943 13.744 -20.385 1.00 0.00 H new ATOM 0 HG3 LYS A 57 16.674 13.780 -20.111 1.00 0.00 H new ATOM 0 HD2 LYS A 57 15.456 13.790 -22.897 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.784 15.263 -22.005 1.00 0.00 H new ATOM 0 HE2 LYS A 57 18.106 14.977 -22.099 1.00 0.00 H new ATOM 0 HE3 LYS A 57 17.994 13.238 -22.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 18.664 14.300 -24.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 17.147 13.563 -24.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 17.255 15.248 -24.356 1.00 0.00 H new ATOM 898 N ASP A 58 12.969 12.955 -22.069 1.00 0.00 N ATOM 899 CA ASP A 58 12.227 13.740 -23.048 1.00 0.00 C ATOM 900 C ASP A 58 12.851 15.121 -23.223 1.00 0.00 C ATOM 901 O ASP A 58 13.353 15.711 -22.266 1.00 0.00 O ATOM 902 CB ASP A 58 10.765 13.877 -22.621 1.00 0.00 C ATOM 903 CG ASP A 58 9.879 14.382 -23.743 1.00 0.00 C ATOM 904 OD1 ASP A 58 10.181 14.083 -24.918 1.00 0.00 O ATOM 905 OD2 ASP A 58 8.884 15.075 -23.447 1.00 0.00 O ATOM 0 H ASP A 58 12.705 13.132 -21.100 1.00 0.00 H new ATOM 0 HA ASP A 58 12.270 13.218 -24.004 1.00 0.00 H new ATOM 0 HB2 ASP A 58 10.397 12.910 -22.279 1.00 0.00 H new ATOM 0 HB3 ASP A 58 10.699 14.560 -21.774 1.00 0.00 H new ATOM 910 N GLU A 59 12.816 15.630 -24.450 1.00 0.00 N ATOM 911 CA GLU A 59 13.380 16.941 -24.749 1.00 0.00 C ATOM 912 C GLU A 59 12.799 18.007 -23.825 1.00 0.00 C ATOM 913 O GLU A 59 13.514 18.886 -23.347 1.00 0.00 O ATOM 914 CB GLU A 59 13.113 17.315 -26.209 1.00 0.00 C ATOM 915 CG GLU A 59 13.666 16.310 -27.206 1.00 0.00 C ATOM 916 CD GLU A 59 13.374 16.693 -28.643 1.00 0.00 C ATOM 917 OE1 GLU A 59 13.263 17.906 -28.922 1.00 0.00 O ATOM 918 OE2 GLU A 59 13.258 15.782 -29.489 1.00 0.00 O ATOM 0 H GLU A 59 12.403 15.155 -25.253 1.00 0.00 H new ATOM 0 HA GLU A 59 14.456 16.891 -24.585 1.00 0.00 H new ATOM 0 HB2 GLU A 59 12.038 17.410 -26.360 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.551 18.293 -26.411 1.00 0.00 H new ATOM 0 HG2 GLU A 59 14.744 16.223 -27.069 1.00 0.00 H new ATOM 0 HG3 GLU A 59 13.239 15.328 -27.002 1.00 0.00 H new ATOM 925 N GLY A 60 11.495 17.922 -23.579 1.00 0.00 N ATOM 926 CA GLY A 60 10.838 18.885 -22.715 1.00 0.00 C ATOM 927 C GLY A 60 11.732 19.350 -21.582 1.00 0.00 C ATOM 928 O GLY A 60 11.870 20.549 -21.345 1.00 0.00 O ATOM 0 H GLY A 60 10.882 17.203 -23.963 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.527 19.747 -23.306 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.933 18.440 -22.301 1.00 0.00 H new ATOM 932 N ASN A 61 12.338 18.399 -20.880 1.00 0.00 N ATOM 933 CA ASN A 61 13.221 18.718 -19.764 1.00 0.00 C ATOM 934 C ASN A 61 12.697 19.919 -18.981 1.00 0.00 C ATOM 935 O ASN A 61 13.464 20.797 -18.587 1.00 0.00 O ATOM 936 CB ASN A 61 14.636 19.004 -20.271 1.00 0.00 C ATOM 937 CG ASN A 61 15.313 17.765 -20.826 1.00 0.00 C ATOM 938 OD1 ASN A 61 15.033 16.646 -20.396 1.00 0.00 O ATOM 939 ND2 ASN A 61 16.210 17.960 -21.785 1.00 0.00 N ATOM 0 H ASN A 61 12.234 17.401 -21.064 1.00 0.00 H new ATOM 0 HA ASN A 61 13.248 17.856 -19.098 1.00 0.00 H new ATOM 0 HB2 ASN A 61 14.594 19.769 -21.046 1.00 0.00 H new ATOM 0 HB3 ASN A 61 15.236 19.408 -19.456 1.00 0.00 H new ATOM 0 HD21 ASN A 61 16.698 17.164 -22.196 1.00 0.00 H new ATOM 0 HD22 ASN A 61 16.411 18.905 -22.111 1.00 0.00 H new ATOM 946 N GLU A 62 11.387 19.948 -18.761 1.00 0.00 N ATOM 947 CA GLU A 62 10.761 21.041 -18.026 1.00 0.00 C ATOM 948 C GLU A 62 10.267 20.567 -16.663 1.00 0.00 C ATOM 949 O GLU A 62 9.651 19.508 -16.547 1.00 0.00 O ATOM 950 CB GLU A 62 9.596 21.624 -18.829 1.00 0.00 C ATOM 951 CG GLU A 62 8.411 20.680 -18.954 1.00 0.00 C ATOM 952 CD GLU A 62 7.592 20.934 -20.204 1.00 0.00 C ATOM 953 OE1 GLU A 62 8.007 20.471 -21.288 1.00 0.00 O ATOM 954 OE2 GLU A 62 6.538 21.596 -20.100 1.00 0.00 O ATOM 0 H GLU A 62 10.739 19.228 -19.081 1.00 0.00 H new ATOM 0 HA GLU A 62 11.510 21.817 -17.872 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.265 22.548 -18.355 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.948 21.886 -19.827 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.770 19.651 -18.963 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.772 20.787 -18.078 1.00 0.00 H new ATOM 961 N SER A 63 10.542 21.360 -15.632 1.00 0.00 N ATOM 962 CA SER A 63 10.131 21.020 -14.275 1.00 0.00 C ATOM 963 C SER A 63 9.074 21.996 -13.767 1.00 0.00 C ATOM 964 O SER A 63 9.116 22.432 -12.618 1.00 0.00 O ATOM 965 CB SER A 63 11.339 21.025 -13.336 1.00 0.00 C ATOM 966 OG SER A 63 11.709 22.348 -12.989 1.00 0.00 O ATOM 0 H SER A 63 11.048 22.242 -15.711 1.00 0.00 H new ATOM 0 HA SER A 63 9.699 20.020 -14.293 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.104 20.461 -12.433 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.179 20.523 -13.816 1.00 0.00 H new ATOM 0 HG SER A 63 11.010 22.747 -12.430 1.00 0.00 H new ATOM 972 N GLY A 64 8.125 22.335 -14.635 1.00 0.00 N ATOM 973 CA GLY A 64 7.070 23.258 -14.258 1.00 0.00 C ATOM 974 C GLY A 64 5.714 22.586 -14.178 1.00 0.00 C ATOM 975 O GLY A 64 4.992 22.504 -15.172 1.00 0.00 O ATOM 0 H GLY A 64 8.068 21.987 -15.592 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.309 23.703 -13.292 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.027 24.071 -14.982 1.00 0.00 H new ATOM 979 N LYS A 65 5.365 22.101 -12.991 1.00 0.00 N ATOM 980 CA LYS A 65 4.086 21.431 -12.783 1.00 0.00 C ATOM 981 C LYS A 65 3.631 21.566 -11.333 1.00 0.00 C ATOM 982 O LYS A 65 4.375 22.050 -10.480 1.00 0.00 O ATOM 983 CB LYS A 65 4.195 19.952 -13.159 1.00 0.00 C ATOM 984 CG LYS A 65 5.047 19.141 -12.198 1.00 0.00 C ATOM 985 CD LYS A 65 5.271 17.727 -12.708 1.00 0.00 C ATOM 986 CE LYS A 65 6.443 17.662 -13.674 1.00 0.00 C ATOM 987 NZ LYS A 65 6.030 17.980 -15.069 1.00 0.00 N ATOM 0 H LYS A 65 5.950 22.159 -12.158 1.00 0.00 H new ATOM 0 HA LYS A 65 3.345 21.909 -13.424 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.195 19.521 -13.197 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.615 19.871 -14.161 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.009 19.635 -12.058 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.562 19.104 -11.223 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.455 17.060 -11.866 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.368 17.371 -13.205 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.215 18.362 -13.355 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.884 16.666 -13.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.595 17.416 -15.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.022 17.754 -15.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.183 18.992 -15.254 1.00 0.00 H new ATOM 1001 N LYS A 66 2.404 21.134 -11.061 1.00 0.00 N ATOM 1002 CA LYS A 66 1.850 21.203 -9.714 1.00 0.00 C ATOM 1003 C LYS A 66 2.918 20.897 -8.669 1.00 0.00 C ATOM 1004 O LYS A 66 3.092 21.643 -7.706 1.00 0.00 O ATOM 1005 CB LYS A 66 0.684 20.223 -9.569 1.00 0.00 C ATOM 1006 CG LYS A 66 -0.034 20.325 -8.235 1.00 0.00 C ATOM 1007 CD LYS A 66 -1.496 19.928 -8.356 1.00 0.00 C ATOM 1008 CE LYS A 66 -2.104 19.615 -6.998 1.00 0.00 C ATOM 1009 NZ LYS A 66 -2.638 20.837 -6.334 1.00 0.00 N ATOM 0 H LYS A 66 1.774 20.732 -11.756 1.00 0.00 H new ATOM 0 HA LYS A 66 1.487 22.217 -9.550 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.031 20.401 -10.372 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.057 19.207 -9.695 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.459 19.683 -7.505 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.037 21.346 -7.860 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.055 20.736 -8.828 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.585 19.057 -9.005 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.906 18.887 -7.118 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.350 19.155 -6.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.044 20.581 -5.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.868 21.522 -6.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.376 21.262 -6.931 1.00 0.00 H new ATOM 1023 N THR A 67 3.633 19.793 -8.867 1.00 0.00 N ATOM 1024 CA THR A 67 4.685 19.388 -7.942 1.00 0.00 C ATOM 1025 C THR A 67 6.064 19.555 -8.570 1.00 0.00 C ATOM 1026 O THR A 67 6.286 19.163 -9.716 1.00 0.00 O ATOM 1027 CB THR A 67 4.509 17.924 -7.499 1.00 0.00 C ATOM 1028 OG1 THR A 67 5.410 17.625 -6.427 1.00 0.00 O ATOM 1029 CG2 THR A 67 4.761 16.973 -8.659 1.00 0.00 C ATOM 0 H THR A 67 3.503 19.164 -9.659 1.00 0.00 H new ATOM 0 HA THR A 67 4.606 20.036 -7.069 1.00 0.00 H new ATOM 0 HB THR A 67 3.482 17.792 -7.158 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.291 16.693 -6.150 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.631 15.945 -8.321 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.055 17.184 -9.462 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.778 17.108 -9.026 1.00 0.00 H new ATOM 1037 N SER A 68 6.987 20.140 -7.813 1.00 0.00 N ATOM 1038 CA SER A 68 8.344 20.361 -8.298 1.00 0.00 C ATOM 1039 C SER A 68 8.972 19.054 -8.771 1.00 0.00 C ATOM 1040 O SER A 68 8.968 18.055 -8.054 1.00 0.00 O ATOM 1041 CB SER A 68 9.205 20.985 -7.198 1.00 0.00 C ATOM 1042 OG SER A 68 10.409 21.511 -7.729 1.00 0.00 O ATOM 0 H SER A 68 6.820 20.469 -6.862 1.00 0.00 H new ATOM 0 HA SER A 68 8.294 21.046 -9.144 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.646 21.778 -6.701 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.435 20.234 -6.442 1.00 0.00 H new ATOM 0 HG SER A 68 10.940 21.905 -7.006 1.00 0.00 H new ATOM 1048 N GLY A 69 9.513 19.071 -9.986 1.00 0.00 N ATOM 1049 CA GLY A 69 10.137 17.882 -10.536 1.00 0.00 C ATOM 1050 C GLY A 69 11.604 18.092 -10.855 1.00 0.00 C ATOM 1051 O GLY A 69 12.021 18.057 -12.013 1.00 0.00 O ATOM 0 H GLY A 69 9.530 19.887 -10.598 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.037 17.061 -9.826 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.610 17.585 -11.443 1.00 0.00 H new ATOM 1055 N PRO A 70 12.415 18.319 -9.810 1.00 0.00 N ATOM 1056 CA PRO A 70 13.856 18.541 -9.960 1.00 0.00 C ATOM 1057 C PRO A 70 14.596 17.279 -10.386 1.00 0.00 C ATOM 1058 O PRO A 70 14.349 16.194 -9.858 1.00 0.00 O ATOM 1059 CB PRO A 70 14.295 18.972 -8.559 1.00 0.00 C ATOM 1060 CG PRO A 70 13.284 18.373 -7.643 1.00 0.00 C ATOM 1061 CD PRO A 70 11.986 18.374 -8.403 1.00 0.00 C ATOM 0 HA PRO A 70 14.077 19.274 -10.736 1.00 0.00 H new ATOM 0 HB2 PRO A 70 15.298 18.612 -8.331 1.00 0.00 H new ATOM 0 HB3 PRO A 70 14.317 20.058 -8.468 1.00 0.00 H new ATOM 0 HG2 PRO A 70 13.568 17.360 -7.357 1.00 0.00 H new ATOM 0 HG3 PRO A 70 13.199 18.952 -6.724 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.365 17.518 -8.139 1.00 0.00 H new ATOM 0 HD3 PRO A 70 11.400 19.269 -8.196 1.00 0.00 H new ATOM 1069 N SER A 71 15.506 17.426 -11.344 1.00 0.00 N ATOM 1070 CA SER A 71 16.281 16.296 -11.843 1.00 0.00 C ATOM 1071 C SER A 71 17.360 15.893 -10.843 1.00 0.00 C ATOM 1072 O SER A 71 18.089 16.739 -10.326 1.00 0.00 O ATOM 1073 CB SER A 71 16.920 16.643 -13.189 1.00 0.00 C ATOM 1074 OG SER A 71 17.579 15.519 -13.746 1.00 0.00 O ATOM 0 H SER A 71 15.725 18.317 -11.790 1.00 0.00 H new ATOM 0 HA SER A 71 15.603 15.453 -11.978 1.00 0.00 H new ATOM 0 HB2 SER A 71 16.154 16.997 -13.878 1.00 0.00 H new ATOM 0 HB3 SER A 71 17.632 17.458 -13.058 1.00 0.00 H new ATOM 0 HG SER A 71 17.977 15.767 -14.606 1.00 0.00 H new ATOM 1080 N SER A 72 17.456 14.595 -10.576 1.00 0.00 N ATOM 1081 CA SER A 72 18.444 14.079 -9.635 1.00 0.00 C ATOM 1082 C SER A 72 19.539 13.308 -10.366 1.00 0.00 C ATOM 1083 O SER A 72 20.726 13.495 -10.102 1.00 0.00 O ATOM 1084 CB SER A 72 17.770 13.173 -8.602 1.00 0.00 C ATOM 1085 OG SER A 72 17.093 13.937 -7.619 1.00 0.00 O ATOM 0 H SER A 72 16.862 13.881 -10.998 1.00 0.00 H new ATOM 0 HA SER A 72 18.900 14.926 -9.123 1.00 0.00 H new ATOM 0 HB2 SER A 72 17.064 12.509 -9.101 1.00 0.00 H new ATOM 0 HB3 SER A 72 18.519 12.541 -8.124 1.00 0.00 H new ATOM 0 HG SER A 72 16.669 13.335 -6.972 1.00 0.00 H new ATOM 1091 N GLY A 73 19.131 12.441 -11.287 1.00 0.00 N ATOM 1092 CA GLY A 73 20.089 11.654 -12.042 1.00 0.00 C ATOM 1093 C GLY A 73 19.607 10.239 -12.294 1.00 0.00 C ATOM 1094 O GLY A 73 18.473 9.920 -11.938 1.00 0.00 O ATOM 0 H GLY A 73 18.154 12.269 -11.524 1.00 0.00 H new ATOM 0 HA2 GLY A 73 20.285 12.143 -12.996 1.00 0.00 H new ATOM 0 HA3 GLY A 73 21.035 11.621 -11.501 1.00 0.00 H new TER 1098 GLY A 73 HETATM 1099 ZN ZN A 201 0.926 -0.240 -6.022 1.00 0.00 ZN