USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=23 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 Set 1.1: A 56 ASN : amide:sc=-0.00245 X(o=-0.048,f=-0.1) USER MOD Set 1.2: A 57 LYS NZ :NH3+ 138:sc= -0.0453 (180deg=-0.0671) USER MOD Set 2.1: A 41 MET CE :methyl -126:sc= -6.14 (180deg=-8.5!) USER MOD Set 2.2: A 50 CYS SG : rot -85:sc= -1.94 USER MOD Set 3.1: A 35 SER OG : rot 151:sc= 0.192 USER MOD Set 3.2: A 63 SER OG : rot -173:sc= 0.188 USER MOD Set 4.1: A 13 HIS : no HD1:sc= -1.34 X(o=-1.5,f=-1.6) USER MOD Set 4.2: A 18 SER OG : rot 180:sc= -0.173 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0608 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -56:sc= 0.0683 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+ -157:sc= -0.109 (180deg=-0.535) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.34) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 38 LYS NZ :NH3+ 169:sc= -0.0175 (180deg=-0.302) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0214) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.23 K(o=-1.2,f=-4.8!) USER MOD Single : A 61 ASN : amide:sc= -0.261 K(o=-0.26,f=-1!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -59:sc= 0.123 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 -14.404 -26.686 -19.661 1.00 0.00 N ATOM 2 CA GLY A 1 -13.005 -26.539 -19.302 1.00 0.00 C ATOM 3 C GLY A 1 -12.626 -27.373 -18.095 1.00 0.00 C ATOM 4 O GLY A 1 -13.493 -27.848 -17.363 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.477 -27.105 -20.610 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.876 -27.306 -18.972 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.863 -25.753 -19.658 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.383 -26.828 -20.149 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.794 -25.490 -19.095 1.00 0.00 H new ATOM 8 N SER A 2 -11.325 -27.552 -17.886 1.00 0.00 N ATOM 9 CA SER A 2 -10.832 -28.339 -16.762 1.00 0.00 C ATOM 10 C SER A 2 -9.513 -27.775 -16.241 1.00 0.00 C ATOM 11 O SER A 2 -8.895 -26.924 -16.879 1.00 0.00 O ATOM 12 CB SER A 2 -10.648 -29.800 -17.176 1.00 0.00 C ATOM 13 OG SER A 2 -10.724 -30.662 -16.054 1.00 0.00 O ATOM 0 H SER A 2 -10.594 -27.162 -18.481 1.00 0.00 H new ATOM 0 HA SER A 2 -11.571 -28.287 -15.962 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.413 -30.075 -17.902 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.683 -29.923 -17.668 1.00 0.00 H new ATOM 0 HG SER A 2 -10.605 -31.590 -16.346 1.00 0.00 H new ATOM 19 N SER A 3 -9.089 -28.258 -15.077 1.00 0.00 N ATOM 20 CA SER A 3 -7.846 -27.801 -14.468 1.00 0.00 C ATOM 21 C SER A 3 -7.862 -26.289 -14.270 1.00 0.00 C ATOM 22 O SER A 3 -6.868 -25.608 -14.520 1.00 0.00 O ATOM 23 CB SER A 3 -6.651 -28.201 -15.335 1.00 0.00 C ATOM 24 OG SER A 3 -5.442 -28.138 -14.598 1.00 0.00 O ATOM 0 H SER A 3 -9.588 -28.965 -14.538 1.00 0.00 H new ATOM 0 HA SER A 3 -7.752 -28.277 -13.492 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.796 -29.212 -15.716 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.588 -27.541 -16.200 1.00 0.00 H new ATOM 0 HG SER A 3 -5.332 -27.238 -14.227 1.00 0.00 H new ATOM 30 N GLY A 4 -9.000 -25.769 -13.819 1.00 0.00 N ATOM 31 CA GLY A 4 -9.125 -24.340 -13.596 1.00 0.00 C ATOM 32 C GLY A 4 -7.840 -23.718 -13.087 1.00 0.00 C ATOM 33 O GLY A 4 -7.214 -24.237 -12.163 1.00 0.00 O ATOM 0 H GLY A 4 -9.837 -26.311 -13.604 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.416 -23.854 -14.527 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.924 -24.156 -12.877 1.00 0.00 H new ATOM 37 N SER A 5 -7.444 -22.603 -13.692 1.00 0.00 N ATOM 38 CA SER A 5 -6.222 -21.912 -13.299 1.00 0.00 C ATOM 39 C SER A 5 -6.462 -21.040 -12.070 1.00 0.00 C ATOM 40 O SER A 5 -7.601 -20.849 -11.644 1.00 0.00 O ATOM 41 CB SER A 5 -5.702 -21.053 -14.454 1.00 0.00 C ATOM 42 OG SER A 5 -5.272 -21.861 -15.536 1.00 0.00 O ATOM 0 H SER A 5 -7.952 -22.159 -14.457 1.00 0.00 H new ATOM 0 HA SER A 5 -5.473 -22.664 -13.049 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.488 -20.376 -14.791 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.875 -20.434 -14.107 1.00 0.00 H new ATOM 0 HG SER A 5 -4.946 -21.289 -16.262 1.00 0.00 H new ATOM 48 N SER A 6 -5.380 -20.513 -11.506 1.00 0.00 N ATOM 49 CA SER A 6 -5.472 -19.664 -10.324 1.00 0.00 C ATOM 50 C SER A 6 -5.271 -18.197 -10.692 1.00 0.00 C ATOM 51 O SER A 6 -4.974 -17.868 -11.839 1.00 0.00 O ATOM 52 CB SER A 6 -4.432 -20.087 -9.284 1.00 0.00 C ATOM 53 OG SER A 6 -4.619 -21.437 -8.896 1.00 0.00 O ATOM 0 H SER A 6 -4.430 -20.659 -11.848 1.00 0.00 H new ATOM 0 HA SER A 6 -6.469 -19.781 -9.900 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.430 -19.959 -9.694 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.504 -19.441 -8.409 1.00 0.00 H new ATOM 0 HG SER A 6 -3.941 -21.684 -8.232 1.00 0.00 H new ATOM 59 N GLY A 7 -5.438 -17.318 -9.707 1.00 0.00 N ATOM 60 CA GLY A 7 -5.272 -15.896 -9.946 1.00 0.00 C ATOM 61 C GLY A 7 -5.942 -15.048 -8.884 1.00 0.00 C ATOM 62 O GLY A 7 -6.090 -15.476 -7.739 1.00 0.00 O ATOM 0 H GLY A 7 -5.685 -17.566 -8.749 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.209 -15.658 -9.979 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.686 -15.644 -10.922 1.00 0.00 H new ATOM 66 N LYS A 8 -6.346 -13.840 -9.262 1.00 0.00 N ATOM 67 CA LYS A 8 -7.003 -12.927 -8.334 1.00 0.00 C ATOM 68 C LYS A 8 -8.392 -12.546 -8.837 1.00 0.00 C ATOM 69 O LYS A 8 -8.580 -11.476 -9.416 1.00 0.00 O ATOM 70 CB LYS A 8 -6.156 -11.668 -8.139 1.00 0.00 C ATOM 71 CG LYS A 8 -5.641 -11.074 -9.438 1.00 0.00 C ATOM 72 CD LYS A 8 -4.288 -11.652 -9.818 1.00 0.00 C ATOM 73 CE LYS A 8 -3.157 -10.957 -9.075 1.00 0.00 C ATOM 74 NZ LYS A 8 -3.033 -9.526 -9.466 1.00 0.00 N ATOM 0 H LYS A 8 -6.230 -13.470 -10.205 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.110 -13.437 -7.377 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.750 -10.918 -7.617 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.308 -11.907 -7.497 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.357 -11.267 -10.237 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.560 -9.992 -9.337 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.271 -12.719 -9.594 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.136 -11.550 -10.892 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.332 -11.026 -8.001 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.218 -11.472 -9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.068 -9.194 -9.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.231 -9.425 -10.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.714 -8.958 -8.923 1.00 0.00 H new ATOM 88 N ARG A 9 -9.361 -13.428 -8.612 1.00 0.00 N ATOM 89 CA ARG A 9 -10.732 -13.183 -9.043 1.00 0.00 C ATOM 90 C ARG A 9 -11.601 -12.745 -7.867 1.00 0.00 C ATOM 91 O ARG A 9 -12.228 -13.572 -7.206 1.00 0.00 O ATOM 92 CB ARG A 9 -11.319 -14.440 -9.685 1.00 0.00 C ATOM 93 CG ARG A 9 -12.488 -14.160 -10.616 1.00 0.00 C ATOM 94 CD ARG A 9 -12.020 -13.937 -12.046 1.00 0.00 C ATOM 95 NE ARG A 9 -11.627 -12.551 -12.283 1.00 0.00 N ATOM 96 CZ ARG A 9 -11.568 -12.000 -13.491 1.00 0.00 C ATOM 97 NH1 ARG A 9 -11.875 -12.715 -14.565 1.00 0.00 N ATOM 98 NH2 ARG A 9 -11.202 -10.732 -13.626 1.00 0.00 N ATOM 0 H ARG A 9 -9.222 -14.318 -8.134 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.717 -12.380 -9.780 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -10.535 -14.952 -10.243 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.647 -15.120 -8.899 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.186 -14.996 -10.587 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.029 -13.280 -10.268 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -11.177 -14.594 -12.258 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.819 -14.210 -12.736 1.00 0.00 H new ATOM 0 HE ARG A 9 -11.384 -11.974 -11.478 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.157 -13.690 -14.465 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.829 -12.290 -15.491 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.966 -10.179 -12.802 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.157 -10.310 -14.554 1.00 0.00 H new ATOM 112 N GLN A 10 -11.632 -11.441 -7.615 1.00 0.00 N ATOM 113 CA GLN A 10 -12.423 -10.894 -6.519 1.00 0.00 C ATOM 114 C GLN A 10 -13.481 -9.927 -7.040 1.00 0.00 C ATOM 115 O GLN A 10 -13.454 -9.529 -8.205 1.00 0.00 O ATOM 116 CB GLN A 10 -11.517 -10.183 -5.512 1.00 0.00 C ATOM 117 CG GLN A 10 -10.862 -11.123 -4.513 1.00 0.00 C ATOM 118 CD GLN A 10 -9.630 -10.522 -3.867 1.00 0.00 C ATOM 119 OE1 GLN A 10 -9.644 -10.165 -2.688 1.00 0.00 O ATOM 120 NE2 GLN A 10 -8.554 -10.405 -4.637 1.00 0.00 N ATOM 0 H GLN A 10 -11.119 -10.744 -8.154 1.00 0.00 H new ATOM 0 HA GLN A 10 -12.928 -11.722 -6.021 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -10.740 -9.643 -6.053 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.103 -9.441 -4.970 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.583 -11.384 -3.738 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -10.588 -12.049 -5.018 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.586 -10.714 -5.609 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.696 -10.007 -4.257 1.00 0.00 H new ATOM 129 N LYS A 11 -14.414 -9.553 -6.170 1.00 0.00 N ATOM 130 CA LYS A 11 -15.481 -8.632 -6.542 1.00 0.00 C ATOM 131 C LYS A 11 -14.943 -7.214 -6.709 1.00 0.00 C ATOM 132 O LYS A 11 -13.933 -6.849 -6.106 1.00 0.00 O ATOM 133 CB LYS A 11 -16.587 -8.647 -5.483 1.00 0.00 C ATOM 134 CG LYS A 11 -16.103 -8.270 -4.094 1.00 0.00 C ATOM 135 CD LYS A 11 -17.265 -7.971 -3.161 1.00 0.00 C ATOM 136 CE LYS A 11 -17.983 -9.245 -2.739 1.00 0.00 C ATOM 137 NZ LYS A 11 -19.063 -8.971 -1.752 1.00 0.00 N ATOM 0 H LYS A 11 -14.452 -9.874 -5.203 1.00 0.00 H new ATOM 0 HA LYS A 11 -15.894 -8.960 -7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -17.376 -7.957 -5.784 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -17.030 -9.642 -5.447 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.505 -9.083 -3.683 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.453 -7.397 -4.158 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.898 -7.449 -2.277 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.969 -7.303 -3.657 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.408 -9.730 -3.617 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.264 -9.941 -2.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.528 -9.863 -1.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.654 -8.531 -0.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -19.763 -8.327 -2.173 1.00 0.00 H new ATOM 151 N ILE A 12 -15.623 -6.421 -7.530 1.00 0.00 N ATOM 152 CA ILE A 12 -15.213 -5.044 -7.774 1.00 0.00 C ATOM 153 C ILE A 12 -16.066 -4.067 -6.972 1.00 0.00 C ATOM 154 O ILE A 12 -17.295 -4.146 -6.980 1.00 0.00 O ATOM 155 CB ILE A 12 -15.310 -4.684 -9.269 1.00 0.00 C ATOM 156 CG1 ILE A 12 -14.813 -3.256 -9.505 1.00 0.00 C ATOM 157 CG2 ILE A 12 -16.741 -4.841 -9.760 1.00 0.00 C ATOM 158 CD1 ILE A 12 -14.458 -2.971 -10.948 1.00 0.00 C ATOM 0 H ILE A 12 -16.460 -6.708 -8.037 1.00 0.00 H new ATOM 0 HA ILE A 12 -14.174 -4.963 -7.456 1.00 0.00 H new ATOM 0 HB ILE A 12 -14.676 -5.367 -9.834 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -15.582 -2.554 -9.183 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -13.937 -3.077 -8.881 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -16.793 -4.583 -10.818 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -17.062 -5.874 -9.622 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -17.395 -4.179 -9.192 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -14.114 -1.941 -11.041 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -13.667 -3.649 -11.269 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -15.338 -3.118 -11.575 1.00 0.00 H new ATOM 170 N HIS A 13 -15.405 -3.143 -6.280 1.00 0.00 N ATOM 171 CA HIS A 13 -16.102 -2.148 -5.474 1.00 0.00 C ATOM 172 C HIS A 13 -16.993 -1.268 -6.346 1.00 0.00 C ATOM 173 O HIS A 13 -16.994 -1.391 -7.572 1.00 0.00 O ATOM 174 CB HIS A 13 -15.097 -1.282 -4.714 1.00 0.00 C ATOM 175 CG HIS A 13 -15.707 -0.506 -3.587 1.00 0.00 C ATOM 176 ND1 HIS A 13 -16.417 -1.098 -2.563 1.00 0.00 N ATOM 177 CD2 HIS A 13 -15.708 0.822 -3.324 1.00 0.00 C ATOM 178 CE1 HIS A 13 -16.829 -0.168 -1.721 1.00 0.00 C ATOM 179 NE2 HIS A 13 -16.412 1.006 -2.160 1.00 0.00 N ATOM 0 H HIS A 13 -14.388 -3.063 -6.262 1.00 0.00 H new ATOM 0 HA HIS A 13 -16.732 -2.674 -4.757 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -14.306 -1.920 -4.319 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -14.628 -0.587 -5.411 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -15.242 1.593 -3.919 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -17.408 -0.338 -0.826 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -16.585 1.904 -1.707 1.00 0.00 H new ATOM 187 N LEU A 14 -17.749 -0.383 -5.708 1.00 0.00 N ATOM 188 CA LEU A 14 -18.645 0.518 -6.426 1.00 0.00 C ATOM 189 C LEU A 14 -18.009 0.994 -7.728 1.00 0.00 C ATOM 190 O LEU A 14 -18.650 0.997 -8.778 1.00 0.00 O ATOM 191 CB LEU A 14 -19.002 1.720 -5.549 1.00 0.00 C ATOM 192 CG LEU A 14 -20.147 1.511 -4.558 1.00 0.00 C ATOM 193 CD1 LEU A 14 -20.150 2.611 -3.507 1.00 0.00 C ATOM 194 CD2 LEU A 14 -21.481 1.464 -5.287 1.00 0.00 C ATOM 0 H LEU A 14 -17.760 -0.269 -4.694 1.00 0.00 H new ATOM 0 HA LEU A 14 -19.556 -0.030 -6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -18.113 2.013 -4.990 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -19.259 2.556 -6.200 1.00 0.00 H new ATOM 0 HG LEU A 14 -19.997 0.556 -4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -20.972 2.446 -2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -19.205 2.598 -2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -20.275 3.578 -3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -22.285 1.315 -4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -21.639 2.403 -5.817 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -21.477 0.640 -6.001 1.00 0.00 H new ATOM 206 N GLY A 15 -16.744 1.394 -7.651 1.00 0.00 N ATOM 207 CA GLY A 15 -16.042 1.865 -8.831 1.00 0.00 C ATOM 208 C GLY A 15 -16.291 3.335 -9.106 1.00 0.00 C ATOM 209 O GLY A 15 -16.712 3.706 -10.202 1.00 0.00 O ATOM 0 H GLY A 15 -16.192 1.400 -6.793 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -14.972 1.698 -8.704 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.356 1.279 -9.695 1.00 0.00 H new ATOM 213 N ASP A 16 -16.032 4.173 -8.109 1.00 0.00 N ATOM 214 CA ASP A 16 -16.231 5.611 -8.248 1.00 0.00 C ATOM 215 C ASP A 16 -15.004 6.379 -7.768 1.00 0.00 C ATOM 216 O ASP A 16 -14.563 7.330 -8.413 1.00 0.00 O ATOM 217 CB ASP A 16 -17.465 6.055 -7.461 1.00 0.00 C ATOM 218 CG ASP A 16 -18.753 5.507 -8.045 1.00 0.00 C ATOM 219 OD1 ASP A 16 -18.787 5.250 -9.266 1.00 0.00 O ATOM 220 OD2 ASP A 16 -19.726 5.336 -7.280 1.00 0.00 O ATOM 0 H ASP A 16 -15.684 3.882 -7.196 1.00 0.00 H new ATOM 0 HA ASP A 16 -16.384 5.831 -9.305 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -17.370 5.726 -6.426 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -17.511 7.144 -7.446 1.00 0.00 H new ATOM 225 N ARG A 17 -14.457 5.960 -6.632 1.00 0.00 N ATOM 226 CA ARG A 17 -13.281 6.609 -6.064 1.00 0.00 C ATOM 227 C ARG A 17 -12.099 5.645 -6.013 1.00 0.00 C ATOM 228 O ARG A 17 -10.985 5.992 -6.404 1.00 0.00 O ATOM 229 CB ARG A 17 -13.589 7.131 -4.660 1.00 0.00 C ATOM 230 CG ARG A 17 -14.033 6.047 -3.691 1.00 0.00 C ATOM 231 CD ARG A 17 -14.896 6.617 -2.576 1.00 0.00 C ATOM 232 NE ARG A 17 -15.011 5.696 -1.448 1.00 0.00 N ATOM 233 CZ ARG A 17 -15.538 6.032 -0.276 1.00 0.00 C ATOM 234 NH1 ARG A 17 -15.997 7.260 -0.080 1.00 0.00 N ATOM 235 NH2 ARG A 17 -15.607 5.139 0.702 1.00 0.00 N ATOM 0 H ARG A 17 -14.809 5.174 -6.086 1.00 0.00 H new ATOM 0 HA ARG A 17 -13.015 7.449 -6.706 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.701 7.622 -4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -14.369 7.889 -4.726 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.592 5.282 -4.230 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.157 5.560 -3.262 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.469 7.559 -2.233 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -15.890 6.840 -2.965 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.668 4.743 -1.567 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.946 7.949 -0.830 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.401 7.516 0.821 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.255 4.193 0.555 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.012 5.398 1.602 1.00 0.00 H new ATOM 249 N SER A 18 -12.351 4.434 -5.527 1.00 0.00 N ATOM 250 CA SER A 18 -11.307 3.421 -5.420 1.00 0.00 C ATOM 251 C SER A 18 -10.594 3.233 -6.756 1.00 0.00 C ATOM 252 O SER A 18 -11.227 2.962 -7.776 1.00 0.00 O ATOM 253 CB SER A 18 -11.903 2.091 -4.955 1.00 0.00 C ATOM 254 OG SER A 18 -12.290 2.154 -3.593 1.00 0.00 O ATOM 0 H SER A 18 -13.269 4.130 -5.201 1.00 0.00 H new ATOM 0 HA SER A 18 -10.579 3.761 -4.684 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.767 1.841 -5.571 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.172 1.294 -5.092 1.00 0.00 H new ATOM 0 HG SER A 18 -12.669 1.292 -3.321 1.00 0.00 H new ATOM 260 N GLN A 19 -9.273 3.378 -6.740 1.00 0.00 N ATOM 261 CA GLN A 19 -8.474 3.225 -7.950 1.00 0.00 C ATOM 262 C GLN A 19 -7.541 2.023 -7.837 1.00 0.00 C ATOM 263 O GLN A 19 -7.064 1.693 -6.751 1.00 0.00 O ATOM 264 CB GLN A 19 -7.661 4.493 -8.213 1.00 0.00 C ATOM 265 CG GLN A 19 -7.234 4.652 -9.664 1.00 0.00 C ATOM 266 CD GLN A 19 -8.408 4.873 -10.597 1.00 0.00 C ATOM 267 OE1 GLN A 19 -9.207 5.789 -10.401 1.00 0.00 O ATOM 268 NE2 GLN A 19 -8.518 4.033 -11.620 1.00 0.00 N ATOM 0 H GLN A 19 -8.734 3.601 -5.903 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.154 3.058 -8.786 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.252 5.361 -7.920 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.773 4.483 -7.581 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.546 5.494 -9.746 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.688 3.762 -9.978 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.833 3.288 -11.744 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.288 4.133 -12.282 1.00 0.00 H new ATOM 277 N LYS A 20 -7.284 1.372 -8.966 1.00 0.00 N ATOM 278 CA LYS A 20 -6.408 0.207 -8.996 1.00 0.00 C ATOM 279 C LYS A 20 -4.993 0.601 -9.409 1.00 0.00 C ATOM 280 O LYS A 20 -4.761 1.024 -10.542 1.00 0.00 O ATOM 281 CB LYS A 20 -6.958 -0.846 -9.961 1.00 0.00 C ATOM 282 CG LYS A 20 -6.411 -2.242 -9.713 1.00 0.00 C ATOM 283 CD LYS A 20 -7.074 -3.268 -10.617 1.00 0.00 C ATOM 284 CE LYS A 20 -6.266 -4.555 -10.686 1.00 0.00 C ATOM 285 NZ LYS A 20 -6.908 -5.567 -11.569 1.00 0.00 N ATOM 0 H LYS A 20 -7.670 1.632 -9.874 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.371 -0.214 -7.991 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.045 -0.870 -9.878 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.723 -0.549 -10.983 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.334 -2.248 -9.883 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.571 -2.517 -8.670 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.076 -3.486 -10.248 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.186 -2.853 -11.619 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.264 -4.335 -11.054 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.154 -4.967 -9.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.327 -6.429 -11.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.854 -5.796 -11.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.992 -5.184 -12.532 1.00 0.00 H new ATOM 299 N CYS A 21 -4.050 0.458 -8.484 1.00 0.00 N ATOM 300 CA CYS A 21 -2.658 0.798 -8.751 1.00 0.00 C ATOM 301 C CYS A 21 -2.179 0.147 -10.046 1.00 0.00 C ATOM 302 O CYS A 21 -2.734 -0.857 -10.490 1.00 0.00 O ATOM 303 CB CYS A 21 -1.770 0.356 -7.586 1.00 0.00 C ATOM 304 SG CYS A 21 -0.020 0.828 -7.764 1.00 0.00 S ATOM 0 H CYS A 21 -4.225 0.109 -7.542 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.589 1.880 -8.861 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.159 0.786 -6.663 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.834 -0.727 -7.485 1.00 0.00 H new ATOM 309 N SER A 22 -1.144 0.728 -10.646 1.00 0.00 N ATOM 310 CA SER A 22 -0.592 0.208 -11.891 1.00 0.00 C ATOM 311 C SER A 22 0.746 -0.483 -11.645 1.00 0.00 C ATOM 312 O SER A 22 1.154 -1.362 -12.404 1.00 0.00 O ATOM 313 CB SER A 22 -0.416 1.338 -12.907 1.00 0.00 C ATOM 314 OG SER A 22 0.371 0.916 -14.007 1.00 0.00 O ATOM 0 H SER A 22 -0.671 1.559 -10.290 1.00 0.00 H new ATOM 0 HA SER A 22 -1.292 -0.525 -12.292 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.393 1.669 -13.260 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.056 2.194 -12.425 1.00 0.00 H new ATOM 0 HG SER A 22 0.468 1.655 -14.643 1.00 0.00 H new ATOM 320 N LYS A 23 1.426 -0.079 -10.577 1.00 0.00 N ATOM 321 CA LYS A 23 2.718 -0.658 -10.228 1.00 0.00 C ATOM 322 C LYS A 23 2.555 -2.092 -9.733 1.00 0.00 C ATOM 323 O LYS A 23 3.086 -3.029 -10.329 1.00 0.00 O ATOM 324 CB LYS A 23 3.406 0.189 -9.154 1.00 0.00 C ATOM 325 CG LYS A 23 4.688 -0.428 -8.622 1.00 0.00 C ATOM 326 CD LYS A 23 5.898 0.028 -9.419 1.00 0.00 C ATOM 327 CE LYS A 23 7.189 -0.535 -8.843 1.00 0.00 C ATOM 328 NZ LYS A 23 8.321 -0.421 -9.803 1.00 0.00 N ATOM 0 H LYS A 23 1.103 0.648 -9.938 1.00 0.00 H new ATOM 0 HA LYS A 23 3.338 -0.670 -11.125 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.630 1.172 -9.567 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.715 0.341 -8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.817 -0.155 -7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.614 -1.515 -8.661 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.792 -0.289 -10.456 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.944 1.117 -9.422 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.438 -0.005 -7.924 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.042 -1.582 -8.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.182 -0.815 -9.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.095 -0.948 -10.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.478 0.580 -10.037 1.00 0.00 H new ATOM 342 N CYS A 24 1.817 -2.255 -8.640 1.00 0.00 N ATOM 343 CA CYS A 24 1.583 -3.575 -8.065 1.00 0.00 C ATOM 344 C CYS A 24 0.238 -4.135 -8.520 1.00 0.00 C ATOM 345 O CYS A 24 0.142 -5.293 -8.925 1.00 0.00 O ATOM 346 CB CYS A 24 1.628 -3.504 -6.538 1.00 0.00 C ATOM 347 SG CYS A 24 0.228 -2.607 -5.793 1.00 0.00 S ATOM 0 H CYS A 24 1.371 -1.490 -8.135 1.00 0.00 H new ATOM 0 HA CYS A 24 2.372 -4.242 -8.414 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.650 -4.518 -6.138 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.557 -3.022 -6.235 1.00 0.00 H new ATOM 352 N GLY A 25 -0.798 -3.305 -8.449 1.00 0.00 N ATOM 353 CA GLY A 25 -2.122 -3.735 -8.856 1.00 0.00 C ATOM 354 C GLY A 25 -3.023 -4.035 -7.675 1.00 0.00 C ATOM 355 O GLY A 25 -3.701 -5.063 -7.647 1.00 0.00 O ATOM 0 H GLY A 25 -0.744 -2.342 -8.117 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.580 -2.959 -9.470 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.036 -4.625 -9.479 1.00 0.00 H new ATOM 359 N ILE A 26 -3.030 -3.137 -6.695 1.00 0.00 N ATOM 360 CA ILE A 26 -3.854 -3.312 -5.505 1.00 0.00 C ATOM 361 C ILE A 26 -4.942 -2.245 -5.429 1.00 0.00 C ATOM 362 O ILE A 26 -4.847 -1.201 -6.074 1.00 0.00 O ATOM 363 CB ILE A 26 -3.007 -3.257 -4.221 1.00 0.00 C ATOM 364 CG1 ILE A 26 -3.838 -3.702 -3.016 1.00 0.00 C ATOM 365 CG2 ILE A 26 -2.460 -1.854 -4.005 1.00 0.00 C ATOM 366 CD1 ILE A 26 -3.044 -3.786 -1.731 1.00 0.00 C ATOM 0 H ILE A 26 -2.475 -2.281 -6.702 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.317 -4.296 -5.583 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.165 -3.940 -4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.665 -3.005 -2.878 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.276 -4.678 -3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.863 -1.832 -3.093 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.836 -1.572 -4.853 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.288 -1.151 -3.914 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.697 -4.107 -0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.233 -4.505 -1.850 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.628 -2.806 -1.495 1.00 0.00 H new ATOM 378 N ILE A 27 -5.972 -2.515 -4.635 1.00 0.00 N ATOM 379 CA ILE A 27 -7.076 -1.578 -4.472 1.00 0.00 C ATOM 380 C ILE A 27 -6.785 -0.573 -3.362 1.00 0.00 C ATOM 381 O ILE A 27 -6.505 -0.951 -2.225 1.00 0.00 O ATOM 382 CB ILE A 27 -8.394 -2.309 -4.153 1.00 0.00 C ATOM 383 CG1 ILE A 27 -8.754 -3.274 -5.284 1.00 0.00 C ATOM 384 CG2 ILE A 27 -9.515 -1.307 -3.928 1.00 0.00 C ATOM 385 CD1 ILE A 27 -8.874 -2.604 -6.635 1.00 0.00 C ATOM 0 H ILE A 27 -6.065 -3.375 -4.094 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.183 -1.050 -5.419 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.260 -2.885 -3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.995 -4.054 -5.341 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.698 -3.764 -5.046 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.439 -1.839 -3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.259 -0.656 -3.092 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.652 -0.706 -4.827 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.131 -3.348 -7.389 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.653 -1.843 -6.596 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.924 -2.137 -6.895 1.00 0.00 H new ATOM 397 N PHE A 28 -6.854 0.710 -3.701 1.00 0.00 N ATOM 398 CA PHE A 28 -6.598 1.771 -2.734 1.00 0.00 C ATOM 399 C PHE A 28 -7.433 3.009 -3.050 1.00 0.00 C ATOM 400 O PHE A 28 -7.860 3.208 -4.188 1.00 0.00 O ATOM 401 CB PHE A 28 -5.112 2.133 -2.723 1.00 0.00 C ATOM 402 CG PHE A 28 -4.680 2.929 -3.922 1.00 0.00 C ATOM 403 CD1 PHE A 28 -4.884 4.298 -3.971 1.00 0.00 C ATOM 404 CD2 PHE A 28 -4.070 2.307 -5.000 1.00 0.00 C ATOM 405 CE1 PHE A 28 -4.488 5.032 -5.074 1.00 0.00 C ATOM 406 CE2 PHE A 28 -3.672 3.035 -6.105 1.00 0.00 C ATOM 407 CZ PHE A 28 -3.881 4.400 -6.141 1.00 0.00 C ATOM 0 H PHE A 28 -7.085 1.040 -4.638 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.883 1.405 -1.748 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.892 2.703 -1.820 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.523 1.217 -2.674 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.357 4.798 -3.139 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.904 1.240 -4.976 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.653 6.099 -5.101 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.199 2.538 -6.939 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.570 4.972 -7.003 1.00 0.00 H new ATOM 417 N ILE A 29 -7.661 3.836 -2.036 1.00 0.00 N ATOM 418 CA ILE A 29 -8.443 5.054 -2.206 1.00 0.00 C ATOM 419 C ILE A 29 -7.556 6.225 -2.613 1.00 0.00 C ATOM 420 O ILE A 29 -6.456 6.396 -2.087 1.00 0.00 O ATOM 421 CB ILE A 29 -9.199 5.422 -0.915 1.00 0.00 C ATOM 422 CG1 ILE A 29 -10.041 4.238 -0.436 1.00 0.00 C ATOM 423 CG2 ILE A 29 -10.077 6.643 -1.146 1.00 0.00 C ATOM 424 CD1 ILE A 29 -11.195 3.905 -1.356 1.00 0.00 C ATOM 0 H ILE A 29 -7.315 3.685 -1.088 1.00 0.00 H new ATOM 0 HA ILE A 29 -9.166 4.857 -2.998 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.470 5.663 -0.141 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.400 3.362 -0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.431 4.458 0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.605 6.891 -0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.455 7.487 -1.446 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.801 6.427 -1.932 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.748 3.056 -0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.859 4.766 -1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.811 3.653 -2.344 1.00 0.00 H new ATOM 436 N ARG A 30 -8.042 7.031 -3.552 1.00 0.00 N ATOM 437 CA ARG A 30 -7.293 8.187 -4.030 1.00 0.00 C ATOM 438 C ARG A 30 -8.059 9.479 -3.761 1.00 0.00 C ATOM 439 O ARG A 30 -7.899 10.467 -4.478 1.00 0.00 O ATOM 440 CB ARG A 30 -7.006 8.053 -5.526 1.00 0.00 C ATOM 441 CG ARG A 30 -8.250 7.807 -6.365 1.00 0.00 C ATOM 442 CD ARG A 30 -8.880 9.113 -6.823 1.00 0.00 C ATOM 443 NE ARG A 30 -7.914 9.984 -7.485 1.00 0.00 N ATOM 444 CZ ARG A 30 -7.436 9.759 -8.704 1.00 0.00 C ATOM 445 NH1 ARG A 30 -7.833 8.696 -9.390 1.00 0.00 N ATOM 446 NH2 ARG A 30 -6.559 10.599 -9.240 1.00 0.00 N ATOM 0 H ARG A 30 -8.951 6.904 -3.997 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.348 8.226 -3.489 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.516 8.961 -5.876 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.305 7.233 -5.681 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.990 7.203 -7.234 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.975 7.236 -5.785 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.702 8.899 -7.506 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.306 9.631 -5.964 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.588 10.811 -6.984 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.507 8.048 -8.982 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.464 8.526 -10.326 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.251 11.418 -8.716 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.193 10.425 -10.176 1.00 0.00 H new ATOM 460 N ARG A 31 -8.890 9.464 -2.725 1.00 0.00 N ATOM 461 CA ARG A 31 -9.682 10.634 -2.363 1.00 0.00 C ATOM 462 C ARG A 31 -8.780 11.797 -1.962 1.00 0.00 C ATOM 463 O ARG A 31 -8.913 12.906 -2.480 1.00 0.00 O ATOM 464 CB ARG A 31 -10.637 10.295 -1.216 1.00 0.00 C ATOM 465 CG ARG A 31 -11.744 11.318 -1.023 1.00 0.00 C ATOM 466 CD ARG A 31 -12.955 10.706 -0.339 1.00 0.00 C ATOM 467 NE ARG A 31 -13.874 10.095 -1.296 1.00 0.00 N ATOM 468 CZ ARG A 31 -14.787 10.779 -1.977 1.00 0.00 C ATOM 469 NH1 ARG A 31 -14.902 12.089 -1.807 1.00 0.00 N ATOM 470 NH2 ARG A 31 -15.588 10.153 -2.830 1.00 0.00 N ATOM 0 H ARG A 31 -9.033 8.655 -2.121 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.264 10.932 -3.235 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -11.084 9.319 -1.403 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.066 10.211 -0.291 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.371 12.151 -0.427 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -12.038 11.724 -1.991 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -12.625 9.954 0.377 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -13.480 11.476 0.226 1.00 0.00 H new ATOM 0 HE ARG A 31 -13.811 9.089 -1.450 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -14.289 12.574 -1.152 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -15.604 12.612 -2.331 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -15.503 9.145 -2.964 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -16.288 10.680 -3.352 1.00 0.00 H new ATOM 484 N SER A 32 -7.864 11.537 -1.035 1.00 0.00 N ATOM 485 CA SER A 32 -6.943 12.563 -0.561 1.00 0.00 C ATOM 486 C SER A 32 -6.003 13.008 -1.677 1.00 0.00 C ATOM 487 O SER A 32 -5.567 14.159 -1.717 1.00 0.00 O ATOM 488 CB SER A 32 -6.132 12.041 0.627 1.00 0.00 C ATOM 489 OG SER A 32 -5.274 10.984 0.234 1.00 0.00 O ATOM 0 H SER A 32 -7.740 10.624 -0.597 1.00 0.00 H new ATOM 0 HA SER A 32 -7.531 13.423 -0.241 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.542 12.853 1.054 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.808 11.693 1.408 1.00 0.00 H new ATOM 0 HG SER A 32 -4.766 10.669 1.011 1.00 0.00 H new ATOM 495 N THR A 33 -5.693 12.086 -2.584 1.00 0.00 N ATOM 496 CA THR A 33 -4.805 12.380 -3.701 1.00 0.00 C ATOM 497 C THR A 33 -5.573 12.985 -4.870 1.00 0.00 C ATOM 498 O THR A 33 -6.030 12.269 -5.763 1.00 0.00 O ATOM 499 CB THR A 33 -4.070 11.115 -4.183 1.00 0.00 C ATOM 500 OG1 THR A 33 -3.292 10.563 -3.115 1.00 0.00 O ATOM 501 CG2 THR A 33 -3.167 11.431 -5.365 1.00 0.00 C ATOM 0 H THR A 33 -6.045 11.129 -2.566 1.00 0.00 H new ATOM 0 HA THR A 33 -4.072 13.101 -3.340 1.00 0.00 H new ATOM 0 HB THR A 33 -4.816 10.387 -4.501 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.829 9.758 -3.429 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.659 10.522 -5.688 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.767 11.823 -6.187 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.427 12.175 -5.069 1.00 0.00 H new ATOM 509 N LEU A 34 -5.712 14.306 -4.860 1.00 0.00 N ATOM 510 CA LEU A 34 -6.425 15.008 -5.922 1.00 0.00 C ATOM 511 C LEU A 34 -5.539 16.072 -6.562 1.00 0.00 C ATOM 512 O LEU A 34 -5.596 17.245 -6.194 1.00 0.00 O ATOM 513 CB LEU A 34 -7.697 15.653 -5.369 1.00 0.00 C ATOM 514 CG LEU A 34 -8.603 16.337 -6.393 1.00 0.00 C ATOM 515 CD1 LEU A 34 -9.426 15.307 -7.150 1.00 0.00 C ATOM 516 CD2 LEU A 34 -9.510 17.351 -5.710 1.00 0.00 C ATOM 0 H LEU A 34 -5.341 14.913 -4.129 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.697 14.280 -6.686 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.277 14.885 -4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.410 16.389 -4.618 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.975 16.866 -7.109 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -10.065 15.813 -7.874 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.759 14.620 -7.671 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.045 14.749 -6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.148 17.828 -6.454 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.131 16.844 -4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.902 18.108 -5.215 1.00 0.00 H new ATOM 528 N SER A 35 -4.722 15.654 -7.524 1.00 0.00 N ATOM 529 CA SER A 35 -3.822 16.570 -8.214 1.00 0.00 C ATOM 530 C SER A 35 -3.487 16.053 -9.610 1.00 0.00 C ATOM 531 O SER A 35 -3.003 14.933 -9.770 1.00 0.00 O ATOM 532 CB SER A 35 -2.537 16.762 -7.407 1.00 0.00 C ATOM 533 OG SER A 35 -1.746 17.806 -7.948 1.00 0.00 O ATOM 0 H SER A 35 -4.665 14.687 -7.843 1.00 0.00 H new ATOM 0 HA SER A 35 -4.327 17.531 -8.312 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.785 16.990 -6.370 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.965 15.834 -7.401 1.00 0.00 H new ATOM 0 HG SER A 35 -1.218 18.220 -7.234 1.00 0.00 H new ATOM 539 N ARG A 36 -3.750 16.878 -10.619 1.00 0.00 N ATOM 540 CA ARG A 36 -3.479 16.506 -12.002 1.00 0.00 C ATOM 541 C ARG A 36 -2.018 16.103 -12.179 1.00 0.00 C ATOM 542 O ARG A 36 -1.187 16.341 -11.303 1.00 0.00 O ATOM 543 CB ARG A 36 -3.817 17.665 -12.940 1.00 0.00 C ATOM 544 CG ARG A 36 -2.928 18.883 -12.748 1.00 0.00 C ATOM 545 CD ARG A 36 -3.667 20.170 -13.083 1.00 0.00 C ATOM 546 NE ARG A 36 -2.764 21.207 -13.575 1.00 0.00 N ATOM 547 CZ ARG A 36 -3.034 22.506 -13.512 1.00 0.00 C ATOM 548 NH1 ARG A 36 -4.175 22.925 -12.981 1.00 0.00 N ATOM 549 NH2 ARG A 36 -2.162 23.390 -13.981 1.00 0.00 N ATOM 0 H ARG A 36 -4.151 17.809 -10.504 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.107 15.651 -12.252 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.732 17.323 -13.971 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.856 17.956 -12.785 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.578 18.921 -11.716 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.045 18.794 -13.381 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.428 19.965 -13.836 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.185 20.532 -12.195 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.878 20.918 -13.989 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.848 22.249 -12.620 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.379 23.923 -12.934 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.284 23.072 -14.390 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.370 24.387 -13.932 1.00 0.00 H new ATOM 563 N ARG A 37 -1.712 15.490 -13.318 1.00 0.00 N ATOM 564 CA ARG A 37 -0.352 15.053 -13.610 1.00 0.00 C ATOM 565 C ARG A 37 0.166 14.124 -12.516 1.00 0.00 C ATOM 566 O ARG A 37 1.286 14.284 -12.029 1.00 0.00 O ATOM 567 CB ARG A 37 0.576 16.261 -13.751 1.00 0.00 C ATOM 568 CG ARG A 37 0.407 17.009 -15.062 1.00 0.00 C ATOM 569 CD ARG A 37 0.973 18.418 -14.977 1.00 0.00 C ATOM 570 NE ARG A 37 0.745 19.175 -16.205 1.00 0.00 N ATOM 571 CZ ARG A 37 0.758 20.502 -16.263 1.00 0.00 C ATOM 572 NH1 ARG A 37 0.987 21.215 -15.169 1.00 0.00 N ATOM 573 NH2 ARG A 37 0.542 21.119 -17.418 1.00 0.00 N ATOM 0 H ARG A 37 -2.388 15.285 -14.054 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.367 14.505 -14.552 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.393 16.948 -12.925 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.610 15.926 -13.664 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.908 16.462 -15.861 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.651 17.056 -15.322 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.516 18.942 -14.138 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.043 18.367 -14.776 1.00 0.00 H new ATOM 0 HE ARG A 37 0.566 18.656 -17.065 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.154 20.745 -14.279 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.996 22.234 -15.217 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.366 20.574 -18.262 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.552 22.138 -17.462 1.00 0.00 H new ATOM 587 N LYS A 38 -0.656 13.153 -12.133 1.00 0.00 N ATOM 588 CA LYS A 38 -0.281 12.197 -11.098 1.00 0.00 C ATOM 589 C LYS A 38 -0.525 10.765 -11.565 1.00 0.00 C ATOM 590 O LYS A 38 -1.431 10.505 -12.358 1.00 0.00 O ATOM 591 CB LYS A 38 -1.072 12.467 -9.816 1.00 0.00 C ATOM 592 CG LYS A 38 -0.379 13.428 -8.865 1.00 0.00 C ATOM 593 CD LYS A 38 -0.742 13.139 -7.418 1.00 0.00 C ATOM 594 CE LYS A 38 0.024 14.040 -6.461 1.00 0.00 C ATOM 595 NZ LYS A 38 -0.192 13.651 -5.040 1.00 0.00 N ATOM 0 H LYS A 38 -1.587 13.007 -12.524 1.00 0.00 H new ATOM 0 HA LYS A 38 0.783 12.318 -10.895 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.049 12.872 -10.080 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.247 11.522 -9.301 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.701 13.352 -8.992 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.658 14.452 -9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.813 13.281 -7.275 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.526 12.096 -7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.088 13.994 -6.692 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.289 15.074 -6.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.483 14.160 -4.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.163 13.894 -4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.047 12.627 -4.935 1.00 0.00 H new ATOM 609 N THR A 39 0.289 9.839 -11.068 1.00 0.00 N ATOM 610 CA THR A 39 0.162 8.434 -11.435 1.00 0.00 C ATOM 611 C THR A 39 -0.577 7.650 -10.357 1.00 0.00 C ATOM 612 O THR A 39 -0.368 7.844 -9.160 1.00 0.00 O ATOM 613 CB THR A 39 1.541 7.788 -11.669 1.00 0.00 C ATOM 614 OG1 THR A 39 2.204 8.432 -12.762 1.00 0.00 O ATOM 615 CG2 THR A 39 1.399 6.301 -11.959 1.00 0.00 C ATOM 0 H THR A 39 1.043 10.037 -10.410 1.00 0.00 H new ATOM 0 HA THR A 39 -0.409 8.399 -12.363 1.00 0.00 H new ATOM 0 HB THR A 39 2.134 7.910 -10.763 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.080 8.017 -12.903 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.385 5.866 -12.121 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.920 5.809 -11.112 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.790 6.161 -12.852 1.00 0.00 H new ATOM 623 N PRO A 40 -1.464 6.740 -10.789 1.00 0.00 N ATOM 624 CA PRO A 40 -2.252 5.907 -9.877 1.00 0.00 C ATOM 625 C PRO A 40 -1.397 4.873 -9.151 1.00 0.00 C ATOM 626 O PRO A 40 -1.341 3.710 -9.550 1.00 0.00 O ATOM 627 CB PRO A 40 -3.255 5.216 -10.804 1.00 0.00 C ATOM 628 CG PRO A 40 -2.590 5.200 -12.137 1.00 0.00 C ATOM 629 CD PRO A 40 -1.764 6.455 -12.203 1.00 0.00 C ATOM 0 HA PRO A 40 -2.717 6.496 -9.087 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.480 4.206 -10.462 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.200 5.758 -10.839 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.964 4.315 -12.250 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.326 5.175 -12.940 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.854 6.307 -12.785 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.312 7.273 -12.670 1.00 0.00 H new ATOM 637 N MET A 41 -0.733 5.305 -8.084 1.00 0.00 N ATOM 638 CA MET A 41 0.118 4.415 -7.302 1.00 0.00 C ATOM 639 C MET A 41 -0.361 4.336 -5.856 1.00 0.00 C ATOM 640 O MET A 41 -0.768 5.341 -5.271 1.00 0.00 O ATOM 641 CB MET A 41 1.570 4.894 -7.346 1.00 0.00 C ATOM 642 CG MET A 41 2.291 4.533 -8.634 1.00 0.00 C ATOM 643 SD MET A 41 4.052 4.914 -8.575 1.00 0.00 S ATOM 644 CE MET A 41 4.739 3.292 -8.250 1.00 0.00 C ATOM 0 H MET A 41 -0.768 6.265 -7.741 1.00 0.00 H new ATOM 0 HA MET A 41 0.059 3.419 -7.740 1.00 0.00 H new ATOM 0 HB2 MET A 41 1.591 5.976 -7.219 1.00 0.00 H new ATOM 0 HB3 MET A 41 2.111 4.464 -6.503 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.160 3.469 -8.833 1.00 0.00 H new ATOM 0 HG3 MET A 41 1.834 5.071 -9.464 1.00 0.00 H new ATOM 0 HE1 MET A 41 5.377 3.337 -7.367 1.00 0.00 H new ATOM 0 HE2 MET A 41 3.930 2.582 -8.077 1.00 0.00 H new ATOM 0 HE3 MET A 41 5.329 2.968 -9.108 1.00 0.00 H new ATOM 654 N CYS A 42 -0.311 3.138 -5.285 1.00 0.00 N ATOM 655 CA CYS A 42 -0.740 2.928 -3.908 1.00 0.00 C ATOM 656 C CYS A 42 0.288 3.485 -2.927 1.00 0.00 C ATOM 657 O CYS A 42 1.480 3.539 -3.227 1.00 0.00 O ATOM 658 CB CYS A 42 -0.960 1.437 -3.642 1.00 0.00 C ATOM 659 SG CYS A 42 0.541 0.420 -3.822 1.00 0.00 S ATOM 0 H CYS A 42 0.023 2.297 -5.755 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.681 3.459 -3.762 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.351 1.313 -2.632 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.722 1.065 -4.327 1.00 0.00 H new ATOM 664 N GLU A 43 -0.184 3.897 -1.754 1.00 0.00 N ATOM 665 CA GLU A 43 0.695 4.450 -0.730 1.00 0.00 C ATOM 666 C GLU A 43 1.916 3.559 -0.522 1.00 0.00 C ATOM 667 O GLU A 43 3.001 4.040 -0.194 1.00 0.00 O ATOM 668 CB GLU A 43 -0.063 4.612 0.590 1.00 0.00 C ATOM 669 CG GLU A 43 -0.600 3.304 1.147 1.00 0.00 C ATOM 670 CD GLU A 43 -0.770 3.339 2.654 1.00 0.00 C ATOM 671 OE1 GLU A 43 -1.527 4.202 3.145 1.00 0.00 O ATOM 672 OE2 GLU A 43 -0.146 2.504 3.341 1.00 0.00 O ATOM 0 H GLU A 43 -1.168 3.858 -1.490 1.00 0.00 H new ATOM 0 HA GLU A 43 1.035 5.429 -1.069 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.600 5.066 1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.894 5.302 0.440 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.560 3.082 0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.078 2.494 0.880 1.00 0.00 H new ATOM 679 N LYS A 44 1.731 2.257 -0.714 1.00 0.00 N ATOM 680 CA LYS A 44 2.816 1.297 -0.549 1.00 0.00 C ATOM 681 C LYS A 44 3.895 1.509 -1.606 1.00 0.00 C ATOM 682 O LYS A 44 5.089 1.467 -1.307 1.00 0.00 O ATOM 683 CB LYS A 44 2.277 -0.132 -0.634 1.00 0.00 C ATOM 684 CG LYS A 44 3.366 -1.190 -0.694 1.00 0.00 C ATOM 685 CD LYS A 44 2.779 -2.590 -0.774 1.00 0.00 C ATOM 686 CE LYS A 44 2.266 -2.901 -2.171 1.00 0.00 C ATOM 687 NZ LYS A 44 1.458 -4.151 -2.200 1.00 0.00 N ATOM 0 H LYS A 44 0.839 1.842 -0.984 1.00 0.00 H new ATOM 0 HA LYS A 44 3.260 1.453 0.434 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.643 -0.324 0.231 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.646 -0.221 -1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.001 -1.011 -1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.001 -1.110 0.188 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.538 -3.320 -0.493 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.964 -2.685 -0.057 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.660 -2.069 -2.529 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.110 -2.998 -2.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.127 -4.328 -3.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.043 -4.950 -1.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.639 -4.049 -1.568 1.00 0.00 H new ATOM 701 N CYS A 45 3.468 1.737 -2.844 1.00 0.00 N ATOM 702 CA CYS A 45 4.397 1.957 -3.946 1.00 0.00 C ATOM 703 C CYS A 45 4.965 3.372 -3.905 1.00 0.00 C ATOM 704 O CYS A 45 6.130 3.595 -4.237 1.00 0.00 O ATOM 705 CB CYS A 45 3.699 1.714 -5.285 1.00 0.00 C ATOM 706 SG CYS A 45 3.205 -0.018 -5.563 1.00 0.00 S ATOM 0 H CYS A 45 2.484 1.774 -3.109 1.00 0.00 H new ATOM 0 HA CYS A 45 5.221 1.251 -3.840 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.813 2.347 -5.341 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.364 2.025 -6.091 1.00 0.00 H new ATOM 711 N ARG A 46 4.134 4.326 -3.495 1.00 0.00 N ATOM 712 CA ARG A 46 4.553 5.720 -3.412 1.00 0.00 C ATOM 713 C ARG A 46 5.659 5.894 -2.376 1.00 0.00 C ATOM 714 O ARG A 46 6.730 6.422 -2.677 1.00 0.00 O ATOM 715 CB ARG A 46 3.362 6.611 -3.057 1.00 0.00 C ATOM 716 CG ARG A 46 2.222 6.533 -4.059 1.00 0.00 C ATOM 717 CD ARG A 46 1.083 7.467 -3.682 1.00 0.00 C ATOM 718 NE ARG A 46 1.430 8.869 -3.899 1.00 0.00 N ATOM 719 CZ ARG A 46 1.346 9.472 -5.079 1.00 0.00 C ATOM 720 NH1 ARG A 46 0.928 8.800 -6.143 1.00 0.00 N ATOM 721 NH2 ARG A 46 1.680 10.751 -5.197 1.00 0.00 N ATOM 0 H ARG A 46 3.167 4.159 -3.215 1.00 0.00 H new ATOM 0 HA ARG A 46 4.942 6.016 -4.386 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.989 6.329 -2.073 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.701 7.644 -2.985 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.591 6.790 -5.052 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.852 5.509 -4.112 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.200 7.217 -4.270 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.822 7.316 -2.634 1.00 0.00 H new ATOM 0 HE ARG A 46 1.755 9.415 -3.101 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.670 7.817 -6.056 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.865 9.266 -7.048 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.002 11.272 -4.381 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.615 11.213 -6.104 1.00 0.00 H new ATOM 735 N LYS A 47 5.393 5.448 -1.153 1.00 0.00 N ATOM 736 CA LYS A 47 6.365 5.553 -0.071 1.00 0.00 C ATOM 737 C LYS A 47 7.683 4.888 -0.457 1.00 0.00 C ATOM 738 O LYS A 47 8.720 5.143 0.155 1.00 0.00 O ATOM 739 CB LYS A 47 5.812 4.911 1.203 1.00 0.00 C ATOM 740 CG LYS A 47 6.750 5.016 2.393 1.00 0.00 C ATOM 741 CD LYS A 47 6.309 4.112 3.532 1.00 0.00 C ATOM 742 CE LYS A 47 5.142 4.713 4.300 1.00 0.00 C ATOM 743 NZ LYS A 47 5.580 5.811 5.206 1.00 0.00 N ATOM 0 H LYS A 47 4.511 5.010 -0.886 1.00 0.00 H new ATOM 0 HA LYS A 47 6.552 6.611 0.114 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.863 5.384 1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.602 3.859 1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.761 4.748 2.085 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.785 6.049 2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.022 3.138 3.135 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.146 3.945 4.211 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.403 5.096 3.596 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.652 3.934 4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.784 6.102 5.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.362 5.476 5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.900 6.622 4.639 1.00 0.00 H new ATOM 757 N ASP A 48 7.635 4.037 -1.476 1.00 0.00 N ATOM 758 CA ASP A 48 8.825 3.337 -1.945 1.00 0.00 C ATOM 759 C ASP A 48 9.625 4.211 -2.906 1.00 0.00 C ATOM 760 O ASP A 48 10.219 3.715 -3.863 1.00 0.00 O ATOM 761 CB ASP A 48 8.436 2.027 -2.631 1.00 0.00 C ATOM 762 CG ASP A 48 8.208 0.901 -1.641 1.00 0.00 C ATOM 763 OD1 ASP A 48 8.854 0.911 -0.573 1.00 0.00 O ATOM 764 OD2 ASP A 48 7.385 0.009 -1.936 1.00 0.00 O ATOM 0 H ASP A 48 6.784 3.815 -1.993 1.00 0.00 H new ATOM 0 HA ASP A 48 9.449 3.113 -1.080 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.529 2.182 -3.216 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.221 1.739 -3.330 1.00 0.00 H new ATOM 769 N SER A 49 9.635 5.514 -2.644 1.00 0.00 N ATOM 770 CA SER A 49 10.358 6.458 -3.488 1.00 0.00 C ATOM 771 C SER A 49 10.336 6.010 -4.947 1.00 0.00 C ATOM 772 O SER A 49 11.337 6.115 -5.656 1.00 0.00 O ATOM 773 CB SER A 49 11.804 6.600 -3.009 1.00 0.00 C ATOM 774 OG SER A 49 11.858 7.173 -1.714 1.00 0.00 O ATOM 0 H SER A 49 9.151 5.940 -1.854 1.00 0.00 H new ATOM 0 HA SER A 49 9.862 7.426 -3.415 1.00 0.00 H new ATOM 0 HB2 SER A 49 12.284 5.622 -2.998 1.00 0.00 H new ATOM 0 HB3 SER A 49 12.363 7.221 -3.709 1.00 0.00 H new ATOM 0 HG SER A 49 12.793 7.252 -1.430 1.00 0.00 H new ATOM 780 N CYS A 50 9.187 5.509 -5.387 1.00 0.00 N ATOM 781 CA CYS A 50 9.032 5.043 -6.761 1.00 0.00 C ATOM 782 C CYS A 50 8.921 6.220 -7.724 1.00 0.00 C ATOM 783 O CYS A 50 9.568 6.240 -8.771 1.00 0.00 O ATOM 784 CB CYS A 50 7.797 4.150 -6.882 1.00 0.00 C ATOM 785 SG CYS A 50 7.906 2.915 -8.199 1.00 0.00 S ATOM 0 H CYS A 50 8.349 5.415 -4.813 1.00 0.00 H new ATOM 0 HA CYS A 50 9.917 4.464 -7.025 1.00 0.00 H new ATOM 0 HB2 CYS A 50 7.636 3.640 -5.932 1.00 0.00 H new ATOM 0 HB3 CYS A 50 6.924 4.778 -7.058 1.00 0.00 H new ATOM 0 HG CYS A 50 7.531 3.447 -9.324 1.00 0.00 H new ATOM 791 N GLN A 51 8.094 7.197 -7.364 1.00 0.00 N ATOM 792 CA GLN A 51 7.896 8.376 -8.199 1.00 0.00 C ATOM 793 C GLN A 51 9.233 9.003 -8.582 1.00 0.00 C ATOM 794 O GLN A 51 10.291 8.530 -8.168 1.00 0.00 O ATOM 795 CB GLN A 51 7.029 9.403 -7.469 1.00 0.00 C ATOM 796 CG GLN A 51 5.655 8.876 -7.086 1.00 0.00 C ATOM 797 CD GLN A 51 4.880 9.847 -6.217 1.00 0.00 C ATOM 798 OE1 GLN A 51 3.832 10.355 -6.616 1.00 0.00 O ATOM 799 NE2 GLN A 51 5.392 10.109 -5.020 1.00 0.00 N ATOM 0 H GLN A 51 7.551 7.195 -6.501 1.00 0.00 H new ATOM 0 HA GLN A 51 7.388 8.063 -9.111 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.548 9.730 -6.568 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.908 10.281 -8.103 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.084 8.669 -7.991 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.767 7.930 -6.556 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.263 9.665 -4.730 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.914 10.754 -4.391 1.00 0.00 H new ATOM 808 N GLU A 52 9.176 10.068 -9.374 1.00 0.00 N ATOM 809 CA GLU A 52 10.383 10.758 -9.813 1.00 0.00 C ATOM 810 C GLU A 52 11.359 9.784 -10.467 1.00 0.00 C ATOM 811 O GLU A 52 12.554 9.795 -10.172 1.00 0.00 O ATOM 812 CB GLU A 52 11.058 11.456 -8.630 1.00 0.00 C ATOM 813 CG GLU A 52 10.253 12.617 -8.070 1.00 0.00 C ATOM 814 CD GLU A 52 10.411 13.885 -8.887 1.00 0.00 C ATOM 815 OE1 GLU A 52 11.446 14.025 -9.572 1.00 0.00 O ATOM 816 OE2 GLU A 52 9.499 14.737 -8.842 1.00 0.00 O ATOM 0 H GLU A 52 8.308 10.472 -9.725 1.00 0.00 H new ATOM 0 HA GLU A 52 10.094 11.507 -10.551 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.229 10.727 -7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.036 11.821 -8.944 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.199 12.340 -8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.566 12.809 -7.044 1.00 0.00 H new ATOM 823 N ALA A 53 10.841 8.943 -11.355 1.00 0.00 N ATOM 824 CA ALA A 53 11.665 7.964 -12.052 1.00 0.00 C ATOM 825 C ALA A 53 11.745 8.274 -13.543 1.00 0.00 C ATOM 826 O ALA A 53 12.820 8.223 -14.140 1.00 0.00 O ATOM 827 CB ALA A 53 11.119 6.561 -11.831 1.00 0.00 C ATOM 0 H ALA A 53 9.853 8.920 -11.609 1.00 0.00 H new ATOM 0 HA ALA A 53 12.674 8.018 -11.642 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.744 5.840 -12.357 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.121 6.333 -10.765 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.099 6.503 -12.212 1.00 0.00 H new ATOM 833 N ALA A 54 10.601 8.595 -14.138 1.00 0.00 N ATOM 834 CA ALA A 54 10.542 8.915 -15.559 1.00 0.00 C ATOM 835 C ALA A 54 10.009 10.326 -15.782 1.00 0.00 C ATOM 836 O ALA A 54 10.509 11.062 -16.633 1.00 0.00 O ATOM 837 CB ALA A 54 9.679 7.899 -16.293 1.00 0.00 C ATOM 0 H ALA A 54 9.702 8.640 -13.658 1.00 0.00 H new ATOM 0 HA ALA A 54 11.555 8.871 -15.959 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.644 8.150 -17.353 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.105 6.903 -16.170 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.669 7.915 -15.882 1.00 0.00 H new ATOM 843 N LEU A 55 8.990 10.696 -15.014 1.00 0.00 N ATOM 844 CA LEU A 55 8.388 12.020 -15.129 1.00 0.00 C ATOM 845 C LEU A 55 9.443 13.072 -15.454 1.00 0.00 C ATOM 846 O LEU A 55 10.605 12.940 -15.071 1.00 0.00 O ATOM 847 CB LEU A 55 7.667 12.389 -13.830 1.00 0.00 C ATOM 848 CG LEU A 55 6.527 11.461 -13.409 1.00 0.00 C ATOM 849 CD1 LEU A 55 7.064 10.281 -12.614 1.00 0.00 C ATOM 850 CD2 LEU A 55 5.490 12.225 -12.599 1.00 0.00 C ATOM 0 H LEU A 55 8.564 10.099 -14.306 1.00 0.00 H new ATOM 0 HA LEU A 55 7.665 11.993 -15.944 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.402 12.417 -13.025 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.268 13.398 -13.933 1.00 0.00 H new ATOM 0 HG LEU A 55 6.046 11.077 -14.308 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.238 9.632 -12.323 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.768 9.719 -13.228 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.571 10.645 -11.720 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.686 11.549 -12.308 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.958 12.638 -11.706 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.082 13.036 -13.203 1.00 0.00 H new ATOM 862 N ASN A 56 9.030 14.119 -16.162 1.00 0.00 N ATOM 863 CA ASN A 56 9.939 15.195 -16.537 1.00 0.00 C ATOM 864 C ASN A 56 9.383 16.551 -16.113 1.00 0.00 C ATOM 865 O ASN A 56 8.437 17.062 -16.713 1.00 0.00 O ATOM 866 CB ASN A 56 10.182 15.182 -18.048 1.00 0.00 C ATOM 867 CG ASN A 56 11.327 16.088 -18.458 1.00 0.00 C ATOM 868 OD1 ASN A 56 11.144 17.291 -18.645 1.00 0.00 O ATOM 869 ND2 ASN A 56 12.515 15.512 -18.599 1.00 0.00 N ATOM 0 H ASN A 56 8.071 14.244 -16.487 1.00 0.00 H new ATOM 0 HA ASN A 56 10.885 15.033 -16.021 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.396 14.163 -18.370 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.273 15.495 -18.562 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.323 16.071 -18.873 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.619 14.511 -18.433 1.00 0.00 H new ATOM 876 N LYS A 57 9.976 17.128 -15.074 1.00 0.00 N ATOM 877 CA LYS A 57 9.543 18.425 -14.568 1.00 0.00 C ATOM 878 C LYS A 57 9.004 19.297 -15.698 1.00 0.00 C ATOM 879 O LYS A 57 9.680 19.515 -16.703 1.00 0.00 O ATOM 880 CB LYS A 57 10.703 19.137 -13.869 1.00 0.00 C ATOM 881 CG LYS A 57 11.932 19.303 -14.747 1.00 0.00 C ATOM 882 CD LYS A 57 12.965 18.224 -14.469 1.00 0.00 C ATOM 883 CE LYS A 57 14.108 18.275 -15.472 1.00 0.00 C ATOM 884 NZ LYS A 57 13.691 17.782 -16.813 1.00 0.00 N ATOM 0 H LYS A 57 10.759 16.717 -14.565 1.00 0.00 H new ATOM 0 HA LYS A 57 8.742 18.257 -13.848 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.368 20.120 -13.537 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.978 18.576 -12.976 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.639 19.266 -15.796 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.374 20.284 -14.574 1.00 0.00 H new ATOM 0 HD2 LYS A 57 13.359 18.347 -13.460 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.489 17.244 -14.508 1.00 0.00 H new ATOM 0 HE2 LYS A 57 14.470 19.299 -15.558 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.940 17.673 -15.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.090 18.399 -17.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.038 16.811 -16.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.653 17.791 -16.879 1.00 0.00 H new ATOM 898 N ASP A 58 7.784 19.794 -15.525 1.00 0.00 N ATOM 899 CA ASP A 58 7.156 20.645 -16.529 1.00 0.00 C ATOM 900 C ASP A 58 6.775 21.997 -15.934 1.00 0.00 C ATOM 901 O ASP A 58 7.231 23.041 -16.399 1.00 0.00 O ATOM 902 CB ASP A 58 5.916 19.959 -17.105 1.00 0.00 C ATOM 903 CG ASP A 58 5.582 20.445 -18.502 1.00 0.00 C ATOM 904 OD1 ASP A 58 6.488 20.975 -19.178 1.00 0.00 O ATOM 905 OD2 ASP A 58 4.415 20.295 -18.918 1.00 0.00 O ATOM 0 H ASP A 58 7.210 19.622 -14.699 1.00 0.00 H new ATOM 0 HA ASP A 58 7.875 20.811 -17.331 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.078 18.881 -17.127 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.066 20.140 -16.447 1.00 0.00 H new ATOM 910 N GLU A 59 5.934 21.969 -14.904 1.00 0.00 N ATOM 911 CA GLU A 59 5.491 23.194 -14.248 1.00 0.00 C ATOM 912 C GLU A 59 5.427 23.007 -12.735 1.00 0.00 C ATOM 913 O GLU A 59 4.813 22.063 -12.240 1.00 0.00 O ATOM 914 CB GLU A 59 4.120 23.616 -14.779 1.00 0.00 C ATOM 915 CG GLU A 59 4.168 24.234 -16.167 1.00 0.00 C ATOM 916 CD GLU A 59 2.834 24.164 -16.883 1.00 0.00 C ATOM 917 OE1 GLU A 59 2.174 23.107 -16.810 1.00 0.00 O ATOM 918 OE2 GLU A 59 2.449 25.169 -17.518 1.00 0.00 O ATOM 0 H GLU A 59 5.547 21.113 -14.507 1.00 0.00 H new ATOM 0 HA GLU A 59 6.215 23.978 -14.470 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.465 22.745 -14.801 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.676 24.332 -14.087 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.479 25.276 -16.086 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.923 23.722 -16.763 1.00 0.00 H new ATOM 925 N GLY A 60 6.067 23.916 -12.005 1.00 0.00 N ATOM 926 CA GLY A 60 6.071 23.834 -10.556 1.00 0.00 C ATOM 927 C GLY A 60 7.177 22.941 -10.029 1.00 0.00 C ATOM 928 O GLY A 60 8.120 22.619 -10.750 1.00 0.00 O ATOM 0 H GLY A 60 6.582 24.707 -12.391 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.186 24.834 -10.139 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.108 23.455 -10.214 1.00 0.00 H new ATOM 932 N ASN A 61 7.062 22.542 -8.766 1.00 0.00 N ATOM 933 CA ASN A 61 8.062 21.683 -8.142 1.00 0.00 C ATOM 934 C ASN A 61 7.427 20.397 -7.624 1.00 0.00 C ATOM 935 O ASN A 61 7.833 19.298 -7.998 1.00 0.00 O ATOM 936 CB ASN A 61 8.755 22.422 -6.996 1.00 0.00 C ATOM 937 CG ASN A 61 9.221 21.482 -5.900 1.00 0.00 C ATOM 938 OD1 ASN A 61 9.837 20.451 -6.172 1.00 0.00 O ATOM 939 ND2 ASN A 61 8.926 21.833 -4.654 1.00 0.00 N ATOM 0 H ASN A 61 6.287 22.800 -8.155 1.00 0.00 H new ATOM 0 HA ASN A 61 8.803 21.422 -8.897 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.611 22.972 -7.387 1.00 0.00 H new ATOM 0 HB3 ASN A 61 8.069 23.157 -6.574 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.212 21.239 -3.876 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.414 22.697 -4.475 1.00 0.00 H new ATOM 946 N GLU A 62 6.427 20.544 -6.760 1.00 0.00 N ATOM 947 CA GLU A 62 5.736 19.393 -6.189 1.00 0.00 C ATOM 948 C GLU A 62 4.233 19.481 -6.442 1.00 0.00 C ATOM 949 O GLU A 62 3.651 18.613 -7.091 1.00 0.00 O ATOM 950 CB GLU A 62 6.006 19.301 -4.686 1.00 0.00 C ATOM 951 CG GLU A 62 5.434 18.051 -4.040 1.00 0.00 C ATOM 952 CD GLU A 62 5.761 17.956 -2.563 1.00 0.00 C ATOM 953 OE1 GLU A 62 5.126 18.680 -1.768 1.00 0.00 O ATOM 954 OE2 GLU A 62 6.650 17.158 -2.201 1.00 0.00 O ATOM 0 H GLU A 62 6.078 21.447 -6.440 1.00 0.00 H new ATOM 0 HA GLU A 62 6.118 18.495 -6.675 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.082 19.327 -4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.585 20.178 -4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.352 18.042 -4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.824 17.171 -4.552 1.00 0.00 H new ATOM 961 N SER A 63 3.613 20.536 -5.924 1.00 0.00 N ATOM 962 CA SER A 63 2.178 20.736 -6.090 1.00 0.00 C ATOM 963 C SER A 63 1.747 22.082 -5.515 1.00 0.00 C ATOM 964 O SER A 63 2.557 22.817 -4.951 1.00 0.00 O ATOM 965 CB SER A 63 1.402 19.607 -5.409 1.00 0.00 C ATOM 966 OG SER A 63 0.155 19.389 -6.045 1.00 0.00 O ATOM 0 H SER A 63 4.081 21.265 -5.386 1.00 0.00 H new ATOM 0 HA SER A 63 1.956 20.728 -7.157 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.991 18.690 -5.433 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.240 19.854 -4.360 1.00 0.00 H new ATOM 0 HG SER A 63 -0.367 18.741 -5.527 1.00 0.00 H new ATOM 972 N GLY A 64 0.464 22.399 -5.663 1.00 0.00 N ATOM 973 CA GLY A 64 -0.053 23.656 -5.154 1.00 0.00 C ATOM 974 C GLY A 64 -1.438 23.512 -4.553 1.00 0.00 C ATOM 975 O GLY A 64 -2.261 22.742 -5.048 1.00 0.00 O ATOM 0 H GLY A 64 -0.226 21.808 -6.126 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.629 24.047 -4.399 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.085 24.386 -5.963 1.00 0.00 H new ATOM 979 N LYS A 65 -1.696 24.254 -3.482 1.00 0.00 N ATOM 980 CA LYS A 65 -2.989 24.207 -2.811 1.00 0.00 C ATOM 981 C LYS A 65 -4.128 24.196 -3.826 1.00 0.00 C ATOM 982 O LYS A 65 -3.966 24.643 -4.962 1.00 0.00 O ATOM 983 CB LYS A 65 -3.143 25.403 -1.869 1.00 0.00 C ATOM 984 CG LYS A 65 -4.079 25.142 -0.702 1.00 0.00 C ATOM 985 CD LYS A 65 -3.872 26.151 0.416 1.00 0.00 C ATOM 986 CE LYS A 65 -2.828 25.671 1.413 1.00 0.00 C ATOM 987 NZ LYS A 65 -2.675 26.617 2.553 1.00 0.00 N ATOM 0 H LYS A 65 -1.025 24.896 -3.060 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.035 23.287 -2.229 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.162 25.679 -1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.513 26.257 -2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.112 25.186 -1.046 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.913 24.135 -0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.561 27.106 -0.007 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.817 26.324 0.931 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.111 24.689 1.791 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.870 25.553 0.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.955 26.255 3.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.380 27.548 2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.583 26.710 3.051 1.00 0.00 H new ATOM 1001 N LYS A 66 -5.282 23.685 -3.409 1.00 0.00 N ATOM 1002 CA LYS A 66 -6.449 23.619 -4.280 1.00 0.00 C ATOM 1003 C LYS A 66 -6.937 25.018 -4.643 1.00 0.00 C ATOM 1004 O LYS A 66 -7.206 25.310 -5.808 1.00 0.00 O ATOM 1005 CB LYS A 66 -7.574 22.835 -3.600 1.00 0.00 C ATOM 1006 CG LYS A 66 -7.539 21.345 -3.892 1.00 0.00 C ATOM 1007 CD LYS A 66 -6.608 20.612 -2.941 1.00 0.00 C ATOM 1008 CE LYS A 66 -5.192 20.540 -3.492 1.00 0.00 C ATOM 1009 NZ LYS A 66 -4.211 20.130 -2.449 1.00 0.00 N ATOM 0 H LYS A 66 -5.434 23.310 -2.472 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.159 23.106 -5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.512 22.987 -2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -8.534 23.238 -3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.545 20.933 -3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.213 21.182 -4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.599 21.119 -1.976 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.984 19.604 -2.767 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.160 19.831 -4.319 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.909 21.513 -3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.258 20.093 -2.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.223 20.820 -1.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.466 19.191 -2.083 1.00 0.00 H new ATOM 1023 N THR A 67 -7.049 25.880 -3.637 1.00 0.00 N ATOM 1024 CA THR A 67 -7.504 27.248 -3.850 1.00 0.00 C ATOM 1025 C THR A 67 -6.444 28.075 -4.569 1.00 0.00 C ATOM 1026 O THR A 67 -5.641 28.759 -3.934 1.00 0.00 O ATOM 1027 CB THR A 67 -7.860 27.936 -2.519 1.00 0.00 C ATOM 1028 OG1 THR A 67 -8.413 29.233 -2.770 1.00 0.00 O ATOM 1029 CG2 THR A 67 -6.631 28.066 -1.632 1.00 0.00 C ATOM 0 H THR A 67 -6.831 25.655 -2.666 1.00 0.00 H new ATOM 0 HA THR A 67 -8.398 27.190 -4.471 1.00 0.00 H new ATOM 0 HB THR A 67 -8.598 27.321 -2.003 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.638 29.663 -1.919 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.907 28.555 -0.698 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.230 27.075 -1.419 1.00 0.00 H new ATOM 0 HG23 THR A 67 -5.875 28.661 -2.143 1.00 0.00 H new ATOM 1037 N SER A 68 -6.446 28.008 -5.896 1.00 0.00 N ATOM 1038 CA SER A 68 -5.482 28.748 -6.701 1.00 0.00 C ATOM 1039 C SER A 68 -4.132 28.827 -5.995 1.00 0.00 C ATOM 1040 O SER A 68 -3.466 29.861 -6.018 1.00 0.00 O ATOM 1041 CB SER A 68 -6.002 30.157 -6.990 1.00 0.00 C ATOM 1042 OG SER A 68 -5.277 30.762 -8.046 1.00 0.00 O ATOM 0 H SER A 68 -7.105 27.448 -6.437 1.00 0.00 H new ATOM 0 HA SER A 68 -5.349 28.217 -7.644 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.059 30.111 -7.250 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.921 30.769 -6.092 1.00 0.00 H new ATOM 0 HG SER A 68 -4.328 30.808 -7.807 1.00 0.00 H new ATOM 1048 N GLY A 69 -3.734 27.724 -5.367 1.00 0.00 N ATOM 1049 CA GLY A 69 -2.466 27.688 -4.662 1.00 0.00 C ATOM 1050 C GLY A 69 -2.397 28.706 -3.541 1.00 0.00 C ATOM 1051 O GLY A 69 -3.257 29.577 -3.411 1.00 0.00 O ATOM 0 H GLY A 69 -4.267 26.855 -5.334 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.310 26.690 -4.252 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.656 27.874 -5.368 1.00 0.00 H new ATOM 1055 N PRO A 70 -1.353 28.601 -2.705 1.00 0.00 N ATOM 1056 CA PRO A 70 -1.150 29.511 -1.574 1.00 0.00 C ATOM 1057 C PRO A 70 -0.775 30.919 -2.022 1.00 0.00 C ATOM 1058 O PRO A 70 -0.508 31.793 -1.197 1.00 0.00 O ATOM 1059 CB PRO A 70 0.007 28.868 -0.805 1.00 0.00 C ATOM 1060 CG PRO A 70 0.746 28.075 -1.827 1.00 0.00 C ATOM 1061 CD PRO A 70 -0.290 27.587 -2.801 1.00 0.00 C ATOM 0 HA PRO A 70 -2.057 29.634 -0.982 1.00 0.00 H new ATOM 0 HB2 PRO A 70 0.648 29.623 -0.350 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.358 28.232 0.001 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.496 28.687 -2.329 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.273 27.239 -1.366 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.110 27.519 -3.813 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.656 26.595 -2.535 1.00 0.00 H new ATOM 1069 N SER A 71 -0.758 31.133 -3.334 1.00 0.00 N ATOM 1070 CA SER A 71 -0.413 32.435 -3.892 1.00 0.00 C ATOM 1071 C SER A 71 1.028 32.806 -3.553 1.00 0.00 C ATOM 1072 O SER A 71 1.319 33.947 -3.193 1.00 0.00 O ATOM 1073 CB SER A 71 -1.365 33.509 -3.363 1.00 0.00 C ATOM 1074 OG SER A 71 -2.495 33.649 -4.208 1.00 0.00 O ATOM 0 H SER A 71 -0.979 30.421 -4.030 1.00 0.00 H new ATOM 0 HA SER A 71 -0.510 32.375 -4.976 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.690 33.248 -2.356 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.840 34.462 -3.291 1.00 0.00 H new ATOM 0 HG SER A 71 -3.089 34.340 -3.848 1.00 0.00 H new ATOM 1080 N SER A 72 1.926 31.834 -3.670 1.00 0.00 N ATOM 1081 CA SER A 72 3.337 32.055 -3.373 1.00 0.00 C ATOM 1082 C SER A 72 4.208 31.695 -4.573 1.00 0.00 C ATOM 1083 O SER A 72 5.186 32.379 -4.872 1.00 0.00 O ATOM 1084 CB SER A 72 3.759 31.231 -2.156 1.00 0.00 C ATOM 1085 OG SER A 72 5.109 31.487 -1.810 1.00 0.00 O ATOM 0 H SER A 72 1.702 30.885 -3.969 1.00 0.00 H new ATOM 0 HA SER A 72 3.475 33.113 -3.151 1.00 0.00 H new ATOM 0 HB2 SER A 72 3.113 31.468 -1.311 1.00 0.00 H new ATOM 0 HB3 SER A 72 3.630 30.170 -2.369 1.00 0.00 H new ATOM 0 HG SER A 72 5.354 30.949 -1.028 1.00 0.00 H new ATOM 1091 N GLY A 73 3.844 30.615 -5.257 1.00 0.00 N ATOM 1092 CA GLY A 73 4.602 30.181 -6.416 1.00 0.00 C ATOM 1093 C GLY A 73 3.750 30.093 -7.667 1.00 0.00 C ATOM 1094 O GLY A 73 2.653 30.649 -7.684 1.00 0.00 O ATOM 0 H GLY A 73 3.038 30.033 -5.029 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.425 30.875 -6.589 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.045 29.206 -6.212 1.00 0.00 H new TER 1098 GLY A 73 HETATM 1099 ZN ZN A 201 0.949 -0.369 -5.973 1.00 0.00 ZN