USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 699 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 15 GLN :FLIP amide:sc= -1.39! F(o=-3.3,f=-0.18!) USER MOD Set 1.2: A 47 SER OG : rot -28:sc= 1.21 USER MOD Set 2.1: A 1 MET N :NH3+ -163:sc= -0.735 (180deg=-1.27) USER MOD Set 2.2: A 44 SER OG : rot 83:sc= 0.819 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -101:sc= -0.363! (180deg=-2.84!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -104:sc= 0.692 USER MOD Single : A 31 MET CE :methyl 168:sc= -4.36! (180deg=-4.78!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.17) USER MOD Single : A 39 SER OG : rot -42:sc= -0.167 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc=-0.00633 X(o=-0.0063,f=-0.025) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= 0.0896 X(o=0.09,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot -160:sc= 0 USER MOD Single : A 67 THR OG1 : rot 130:sc= -1.97! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.408 X(o=-0.41,f=-0.68) USER MOD Single : A 75 MET CE :methyl 155:sc= 0 (180deg=-0.0365) USER MOD Single : A 78 LYS NZ :NH3+ 171:sc= -1.65! (180deg=-2.98!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.589 -11.275 5.537 1.00 0.00 N ATOM 2 CA MET A 1 -1.873 -12.545 6.182 1.00 0.00 C ATOM 3 C MET A 1 -1.499 -13.718 5.274 1.00 0.00 C ATOM 4 O MET A 1 -0.985 -13.517 4.174 1.00 0.00 O ATOM 5 CB MET A 1 -3.362 -12.621 6.527 1.00 0.00 C ATOM 6 CG MET A 1 -3.703 -11.690 7.692 1.00 0.00 C ATOM 7 SD MET A 1 -3.958 -12.643 9.180 1.00 0.00 S ATOM 8 CE MET A 1 -4.083 -11.323 10.375 1.00 0.00 C ATOM 0 H1 MET A 1 -1.573 -10.519 6.251 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.664 -11.325 5.065 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.327 -11.071 4.833 1.00 0.00 H new ATOM 0 HA MET A 1 -1.276 -12.610 7.092 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.956 -12.349 5.654 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.627 -13.646 6.786 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.896 -10.973 7.843 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.600 -11.116 7.459 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.245 -11.744 11.367 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.161 -10.742 10.373 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.920 -10.675 10.115 1.00 0.00 H new ATOM 18 N MET A 2 -1.770 -14.917 5.767 1.00 0.00 N ATOM 19 CA MET A 2 -1.468 -16.122 5.013 1.00 0.00 C ATOM 20 C MET A 2 -2.482 -16.333 3.887 1.00 0.00 C ATOM 21 O MET A 2 -3.196 -17.335 3.868 1.00 0.00 O ATOM 22 CB MET A 2 -1.489 -17.330 5.951 1.00 0.00 C ATOM 23 CG MET A 2 -0.138 -17.507 6.647 1.00 0.00 C ATOM 24 SD MET A 2 0.326 -19.231 6.650 1.00 0.00 S ATOM 25 CE MET A 2 1.972 -19.110 5.970 1.00 0.00 C ATOM 0 H MET A 2 -2.196 -15.080 6.680 1.00 0.00 H new ATOM 0 HA MET A 2 -0.478 -16.012 4.570 1.00 0.00 H new ATOM 0 HB2 MET A 2 -2.273 -17.202 6.698 1.00 0.00 H new ATOM 0 HB3 MET A 2 -1.732 -18.230 5.386 1.00 0.00 H new ATOM 0 HG2 MET A 2 0.624 -16.918 6.136 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.195 -17.135 7.670 1.00 0.00 H new ATOM 0 HE1 MET A 2 2.412 -20.105 5.902 1.00 0.00 H new ATOM 0 HE2 MET A 2 1.923 -18.666 4.976 1.00 0.00 H new ATOM 0 HE3 MET A 2 2.588 -18.485 6.616 1.00 0.00 H new ATOM 35 N VAL A 3 -2.514 -15.373 2.975 1.00 0.00 N ATOM 36 CA VAL A 3 -3.429 -15.440 1.848 1.00 0.00 C ATOM 37 C VAL A 3 -2.738 -14.883 0.601 1.00 0.00 C ATOM 38 O VAL A 3 -1.935 -13.956 0.695 1.00 0.00 O ATOM 39 CB VAL A 3 -4.731 -14.711 2.186 1.00 0.00 C ATOM 40 CG1 VAL A 3 -5.887 -15.226 1.326 1.00 0.00 C ATOM 41 CG2 VAL A 3 -5.057 -14.835 3.675 1.00 0.00 C ATOM 0 H VAL A 3 -1.921 -14.544 2.993 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.698 -16.475 1.636 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.592 -13.654 1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.800 -14.691 1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.658 -15.062 0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.027 -16.292 1.505 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.987 -14.308 3.889 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.167 -15.887 3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.249 -14.398 4.262 1.00 0.00 H new ATOM 51 N PHE A 4 -3.075 -15.472 -0.536 1.00 0.00 N ATOM 52 CA PHE A 4 -2.497 -15.046 -1.800 1.00 0.00 C ATOM 53 C PHE A 4 -3.088 -15.838 -2.968 1.00 0.00 C ATOM 54 O PHE A 4 -2.962 -17.061 -3.020 1.00 0.00 O ATOM 55 CB PHE A 4 -0.995 -15.322 -1.720 1.00 0.00 C ATOM 56 CG PHE A 4 -0.153 -14.465 -2.668 1.00 0.00 C ATOM 57 CD1 PHE A 4 -0.529 -14.319 -3.966 1.00 0.00 C ATOM 58 CD2 PHE A 4 0.970 -13.849 -2.211 1.00 0.00 C ATOM 59 CE1 PHE A 4 0.252 -13.523 -4.846 1.00 0.00 C ATOM 60 CE2 PHE A 4 1.751 -13.053 -3.090 1.00 0.00 C ATOM 61 CZ PHE A 4 1.376 -12.907 -4.389 1.00 0.00 C ATOM 0 H PHE A 4 -3.741 -16.241 -0.609 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.708 -13.990 -1.969 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.659 -15.152 -0.697 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.817 -16.374 -1.943 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.421 -14.808 -4.328 1.00 0.00 H new ATOM 0 HD2 PHE A 4 1.268 -13.965 -1.179 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.046 -13.407 -5.877 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.643 -12.564 -2.727 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.970 -12.302 -5.058 1.00 0.00 H new ATOM 71 N ASP A 5 -3.720 -15.110 -3.876 1.00 0.00 N ATOM 72 CA ASP A 5 -4.330 -15.729 -5.040 1.00 0.00 C ATOM 73 C ASP A 5 -4.735 -14.642 -6.038 1.00 0.00 C ATOM 74 O ASP A 5 -4.756 -13.460 -5.698 1.00 0.00 O ATOM 75 CB ASP A 5 -5.590 -16.507 -4.653 1.00 0.00 C ATOM 76 CG ASP A 5 -5.546 -17.161 -3.270 1.00 0.00 C ATOM 77 OD1 ASP A 5 -5.144 -18.325 -3.126 1.00 0.00 O ATOM 78 OD2 ASP A 5 -5.954 -16.413 -2.301 1.00 0.00 O ATOM 0 H ASP A 5 -3.823 -14.096 -3.829 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.603 -16.413 -5.478 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -6.443 -15.830 -4.691 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.764 -17.282 -5.400 1.00 0.00 H new ATOM 84 N ASP A 6 -5.045 -15.080 -7.249 1.00 0.00 N ATOM 85 CA ASP A 6 -5.447 -14.160 -8.298 1.00 0.00 C ATOM 86 C ASP A 6 -6.365 -13.088 -7.706 1.00 0.00 C ATOM 87 O ASP A 6 -6.399 -11.958 -8.191 1.00 0.00 O ATOM 88 CB ASP A 6 -6.219 -14.885 -9.402 1.00 0.00 C ATOM 89 CG ASP A 6 -5.348 -15.612 -10.429 1.00 0.00 C ATOM 90 OD1 ASP A 6 -4.774 -16.673 -10.143 1.00 0.00 O ATOM 91 OD2 ASP A 6 -5.270 -15.038 -11.581 1.00 0.00 O ATOM 0 H ASP A 6 -5.026 -16.061 -7.527 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.545 -13.716 -8.720 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.891 -15.609 -8.940 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -6.843 -14.160 -9.925 1.00 0.00 H new ATOM 97 N ILE A 7 -7.086 -13.480 -6.666 1.00 0.00 N ATOM 98 CA ILE A 7 -8.001 -12.568 -6.003 1.00 0.00 C ATOM 99 C ILE A 7 -7.201 -11.571 -5.162 1.00 0.00 C ATOM 100 O ILE A 7 -7.318 -10.361 -5.348 1.00 0.00 O ATOM 101 CB ILE A 7 -9.048 -13.345 -5.203 1.00 0.00 C ATOM 102 CG1 ILE A 7 -9.625 -14.497 -6.030 1.00 0.00 C ATOM 103 CG2 ILE A 7 -10.141 -12.413 -4.678 1.00 0.00 C ATOM 104 CD1 ILE A 7 -9.009 -15.833 -5.613 1.00 0.00 C ATOM 0 H ILE A 7 -7.055 -14.418 -6.266 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.560 -11.990 -6.738 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.557 -13.785 -4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.707 -14.535 -5.902 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.436 -14.320 -7.089 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -10.872 -12.991 -4.113 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.695 -11.659 -4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.636 -11.924 -5.517 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -9.436 -16.634 -6.216 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.930 -15.800 -5.765 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -9.221 -16.019 -4.560 1.00 0.00 H new ATOM 116 N ALA A 8 -6.405 -12.117 -4.254 1.00 0.00 N ATOM 117 CA ALA A 8 -5.585 -11.292 -3.384 1.00 0.00 C ATOM 118 C ALA A 8 -4.962 -10.158 -4.201 1.00 0.00 C ATOM 119 O ALA A 8 -4.794 -9.047 -3.701 1.00 0.00 O ATOM 120 CB ALA A 8 -4.531 -12.163 -2.697 1.00 0.00 C ATOM 0 H ALA A 8 -6.311 -13.121 -4.102 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.193 -10.839 -2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.916 -11.543 -2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.025 -12.934 -2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.900 -12.633 -3.451 1.00 0.00 H new ATOM 126 N LYS A 9 -4.636 -10.479 -5.445 1.00 0.00 N ATOM 127 CA LYS A 9 -4.035 -9.502 -6.337 1.00 0.00 C ATOM 128 C LYS A 9 -5.019 -8.353 -6.565 1.00 0.00 C ATOM 129 O LYS A 9 -4.727 -7.205 -6.234 1.00 0.00 O ATOM 130 CB LYS A 9 -3.563 -10.173 -7.628 1.00 0.00 C ATOM 131 CG LYS A 9 -2.040 -10.317 -7.647 1.00 0.00 C ATOM 132 CD LYS A 9 -1.575 -11.361 -6.629 1.00 0.00 C ATOM 133 CE LYS A 9 -0.772 -10.708 -5.503 1.00 0.00 C ATOM 134 NZ LYS A 9 0.585 -10.350 -5.974 1.00 0.00 N ATOM 0 H LYS A 9 -4.777 -11.402 -5.856 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.142 -9.072 -5.884 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.026 -11.155 -7.721 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.887 -9.585 -8.487 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.711 -10.605 -8.645 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.577 -9.355 -7.424 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.439 -11.878 -6.212 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.964 -12.113 -7.127 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.288 -9.815 -5.151 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.701 -11.390 -4.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.266 -11.063 -5.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.594 -10.318 -7.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.849 -9.418 -5.596 1.00 0.00 H new ATOM 147 N ARG A 10 -6.166 -8.702 -7.129 1.00 0.00 N ATOM 148 CA ARG A 10 -7.195 -7.714 -7.406 1.00 0.00 C ATOM 149 C ARG A 10 -7.711 -7.105 -6.100 1.00 0.00 C ATOM 150 O ARG A 10 -7.827 -5.886 -5.984 1.00 0.00 O ATOM 151 CB ARG A 10 -8.367 -8.338 -8.167 1.00 0.00 C ATOM 152 CG ARG A 10 -8.905 -7.376 -9.229 1.00 0.00 C ATOM 153 CD ARG A 10 -8.631 -7.907 -10.638 1.00 0.00 C ATOM 154 NE ARG A 10 -9.506 -9.068 -10.920 1.00 0.00 N ATOM 155 CZ ARG A 10 -9.611 -9.660 -12.128 1.00 0.00 C ATOM 156 NH1 ARG A 10 -8.897 -9.205 -13.179 1.00 0.00 N ATOM 157 NH2 ARG A 10 -10.424 -10.691 -12.267 1.00 0.00 N ATOM 0 H ARG A 10 -6.406 -9.655 -7.402 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.749 -6.935 -8.024 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.045 -9.265 -8.641 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.163 -8.596 -7.468 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.977 -7.238 -9.090 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.440 -6.398 -9.108 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.807 -7.121 -11.372 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.585 -8.199 -10.729 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.064 -9.444 -10.153 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.272 -8.407 -13.064 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.983 -9.659 -14.089 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.961 -11.028 -11.468 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.515 -11.150 -13.173 1.00 0.00 H new ATOM 170 N LYS A 11 -8.006 -7.982 -5.151 1.00 0.00 N ATOM 171 CA LYS A 11 -8.506 -7.545 -3.859 1.00 0.00 C ATOM 172 C LYS A 11 -7.699 -6.334 -3.387 1.00 0.00 C ATOM 173 O LYS A 11 -8.270 -5.311 -3.012 1.00 0.00 O ATOM 174 CB LYS A 11 -8.507 -8.708 -2.865 1.00 0.00 C ATOM 175 CG LYS A 11 -9.523 -8.471 -1.745 1.00 0.00 C ATOM 176 CD LYS A 11 -9.120 -9.218 -0.472 1.00 0.00 C ATOM 177 CE LYS A 11 -10.353 -9.649 0.324 1.00 0.00 C ATOM 178 NZ LYS A 11 -10.373 -8.987 1.648 1.00 0.00 N ATOM 0 H LYS A 11 -7.908 -8.992 -5.251 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.544 -7.224 -3.941 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.744 -9.636 -3.386 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.511 -8.827 -2.438 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.597 -7.404 -1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.510 -8.802 -2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.526 -10.094 -0.733 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.490 -8.578 0.145 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.257 -9.396 -0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.350 -10.731 0.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.216 -9.291 2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.519 -9.249 2.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.398 -7.955 1.520 1.00 0.00 H new ATOM 191 N ILE A 12 -6.384 -6.489 -3.422 1.00 0.00 N ATOM 192 CA ILE A 12 -5.493 -5.421 -3.003 1.00 0.00 C ATOM 193 C ILE A 12 -5.792 -4.163 -3.820 1.00 0.00 C ATOM 194 O ILE A 12 -5.968 -3.081 -3.261 1.00 0.00 O ATOM 195 CB ILE A 12 -4.034 -5.876 -3.085 1.00 0.00 C ATOM 196 CG1 ILE A 12 -3.306 -5.627 -1.763 1.00 0.00 C ATOM 197 CG2 ILE A 12 -3.320 -5.215 -4.266 1.00 0.00 C ATOM 198 CD1 ILE A 12 -1.984 -6.394 -1.712 1.00 0.00 C ATOM 0 H ILE A 12 -5.914 -7.339 -3.734 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.666 -5.170 -1.956 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.021 -6.952 -3.261 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.116 -4.560 -1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.940 -5.933 -0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.285 -5.555 -4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.824 -5.486 -5.194 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.342 -4.132 -4.145 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.487 -6.199 -0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.179 -7.462 -1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.342 -6.068 -2.531 1.00 0.00 H new ATOM 210 N ARG A 13 -5.840 -4.345 -5.132 1.00 0.00 N ATOM 211 CA ARG A 13 -6.114 -3.239 -6.032 1.00 0.00 C ATOM 212 C ARG A 13 -7.468 -2.607 -5.700 1.00 0.00 C ATOM 213 O ARG A 13 -7.555 -1.402 -5.468 1.00 0.00 O ATOM 214 CB ARG A 13 -6.120 -3.703 -7.490 1.00 0.00 C ATOM 215 CG ARG A 13 -5.669 -2.579 -8.425 1.00 0.00 C ATOM 216 CD ARG A 13 -5.907 -2.954 -9.889 1.00 0.00 C ATOM 217 NE ARG A 13 -6.817 -1.973 -10.521 1.00 0.00 N ATOM 218 CZ ARG A 13 -7.387 -2.142 -11.733 1.00 0.00 C ATOM 219 NH1 ARG A 13 -7.145 -3.257 -12.455 1.00 0.00 N ATOM 220 NH2 ARG A 13 -8.184 -1.200 -12.202 1.00 0.00 N ATOM 0 H ARG A 13 -5.693 -5.243 -5.593 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.322 -2.501 -5.901 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.460 -4.563 -7.604 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.122 -4.031 -7.767 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.212 -1.664 -8.188 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.611 -2.372 -8.266 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.958 -2.980 -10.425 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.336 -3.954 -9.952 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.027 -1.116 -10.009 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.527 -3.980 -12.086 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.580 -3.377 -13.370 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.361 -0.360 -11.650 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.623 -1.312 -13.116 1.00 0.00 H new ATOM 233 N PHE A 14 -8.491 -3.450 -5.687 1.00 0.00 N ATOM 234 CA PHE A 14 -9.836 -2.990 -5.387 1.00 0.00 C ATOM 235 C PHE A 14 -9.943 -2.518 -3.935 1.00 0.00 C ATOM 236 O PHE A 14 -10.884 -1.812 -3.576 1.00 0.00 O ATOM 237 CB PHE A 14 -10.773 -4.181 -5.594 1.00 0.00 C ATOM 238 CG PHE A 14 -12.118 -3.813 -6.224 1.00 0.00 C ATOM 239 CD1 PHE A 14 -12.980 -2.999 -5.558 1.00 0.00 C ATOM 240 CD2 PHE A 14 -12.450 -4.299 -7.450 1.00 0.00 C ATOM 241 CE1 PHE A 14 -14.228 -2.657 -6.143 1.00 0.00 C ATOM 242 CE2 PHE A 14 -13.698 -3.957 -8.034 1.00 0.00 C ATOM 243 CZ PHE A 14 -14.561 -3.143 -7.368 1.00 0.00 C ATOM 0 H PHE A 14 -8.415 -4.449 -5.879 1.00 0.00 H new ATOM 0 HA PHE A 14 -10.095 -2.152 -6.034 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.276 -4.916 -6.227 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.953 -4.660 -4.632 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -12.716 -2.613 -4.585 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -11.765 -4.945 -7.979 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -14.913 -2.010 -5.614 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -13.962 -4.343 -9.007 1.00 0.00 H new ATOM 0 HZ PHE A 14 -15.510 -2.883 -7.812 1.00 0.00 H new ATOM 253 N GLN A 15 -8.966 -2.928 -3.140 1.00 0.00 N ATOM 254 CA GLN A 15 -8.938 -2.557 -1.735 1.00 0.00 C ATOM 255 C GLN A 15 -8.782 -1.041 -1.590 1.00 0.00 C ATOM 256 O GLN A 15 -9.427 -0.426 -0.742 1.00 0.00 O ATOM 257 CB GLN A 15 -7.823 -3.296 -0.994 1.00 0.00 C ATOM 258 CG GLN A 15 -8.396 -4.191 0.107 1.00 0.00 C ATOM 259 CD GLN A 15 -7.610 -4.029 1.410 1.00 0.00 C ATOM 260 OE1 GLN A 15 -7.537 -5.139 2.139 1.00 0.00 O flip ATOM 261 NE2 GLN A 15 -7.103 -2.967 1.731 1.00 0.00 N flip ATOM 0 H GLN A 15 -8.187 -3.514 -3.442 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.885 -2.851 -1.283 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.252 -3.901 -1.699 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.131 -2.575 -0.558 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.443 -3.940 0.276 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.365 -5.232 -0.213 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.197 -2.153 1.124 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.585 -2.893 2.606 1.00 0.00 H new ATOM 270 N THR A 16 -7.923 -0.484 -2.430 1.00 0.00 N ATOM 271 CA THR A 16 -7.674 0.947 -2.406 1.00 0.00 C ATOM 272 C THR A 16 -8.983 1.719 -2.581 1.00 0.00 C ATOM 273 O THR A 16 -10.065 1.159 -2.416 1.00 0.00 O ATOM 274 CB THR A 16 -6.633 1.265 -3.481 1.00 0.00 C ATOM 275 OG1 THR A 16 -7.235 0.813 -4.691 1.00 0.00 O ATOM 276 CG2 THR A 16 -5.373 0.405 -3.348 1.00 0.00 C ATOM 0 H THR A 16 -7.390 -0.998 -3.132 1.00 0.00 H new ATOM 0 HA THR A 16 -7.273 1.262 -1.442 1.00 0.00 H new ATOM 0 HB THR A 16 -6.361 2.319 -3.423 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.825 -0.034 -4.964 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.667 0.670 -4.135 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.915 0.579 -2.375 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.640 -0.648 -3.440 1.00 0.00 H new ATOM 284 N ARG A 17 -8.841 2.994 -2.914 1.00 0.00 N ATOM 285 CA ARG A 17 -9.999 3.849 -3.114 1.00 0.00 C ATOM 286 C ARG A 17 -9.597 5.119 -3.866 1.00 0.00 C ATOM 287 O ARG A 17 -8.505 5.647 -3.662 1.00 0.00 O ATOM 288 CB ARG A 17 -10.635 4.235 -1.777 1.00 0.00 C ATOM 289 CG ARG A 17 -11.806 3.311 -1.440 1.00 0.00 C ATOM 290 CD ARG A 17 -13.139 4.057 -1.533 1.00 0.00 C ATOM 291 NE ARG A 17 -14.184 3.324 -0.785 1.00 0.00 N ATOM 292 CZ ARG A 17 -15.366 3.859 -0.415 1.00 0.00 C ATOM 293 NH1 ARG A 17 -15.665 5.140 -0.721 1.00 0.00 N ATOM 294 NH2 ARG A 17 -16.227 3.112 0.252 1.00 0.00 N ATOM 0 H ARG A 17 -7.942 3.455 -3.050 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.727 3.290 -3.702 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.887 4.183 -0.986 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.982 5.267 -1.820 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.812 2.462 -2.124 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.679 2.910 -0.434 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.030 5.064 -1.130 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.434 4.162 -2.577 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.999 2.353 -0.533 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.995 5.711 -1.236 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.561 5.536 -0.437 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.994 2.146 0.480 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.125 3.502 0.539 1.00 0.00 H new ATOM 307 N ARG A 18 -10.502 5.573 -4.721 1.00 0.00 N ATOM 308 CA ARG A 18 -10.256 6.771 -5.505 1.00 0.00 C ATOM 309 C ARG A 18 -10.771 8.006 -4.763 1.00 0.00 C ATOM 310 O ARG A 18 -10.914 9.076 -5.353 1.00 0.00 O ATOM 311 CB ARG A 18 -10.939 6.685 -6.872 1.00 0.00 C ATOM 312 CG ARG A 18 -12.458 6.591 -6.721 1.00 0.00 C ATOM 313 CD ARG A 18 -13.160 6.873 -8.051 1.00 0.00 C ATOM 314 NE ARG A 18 -14.585 6.485 -7.964 1.00 0.00 N ATOM 315 CZ ARG A 18 -15.538 7.231 -7.366 1.00 0.00 C ATOM 316 NH1 ARG A 18 -15.225 8.415 -6.797 1.00 0.00 N ATOM 317 NH2 ARG A 18 -16.781 6.787 -7.347 1.00 0.00 N ATOM 0 H ARG A 18 -11.407 5.132 -4.888 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.179 6.854 -5.654 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.683 7.562 -7.466 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.569 5.814 -7.413 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.731 5.597 -6.365 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.797 7.303 -5.969 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.077 7.931 -8.298 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.672 6.320 -8.853 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.865 5.598 -8.382 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.262 8.752 -6.817 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.951 8.972 -6.347 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -17.010 5.892 -7.780 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -17.513 7.339 -6.899 1.00 0.00 H new ATOM 330 N GLY A 19 -11.036 7.818 -3.478 1.00 0.00 N ATOM 331 CA GLY A 19 -11.531 8.903 -2.649 1.00 0.00 C ATOM 332 C GLY A 19 -10.926 10.241 -3.077 1.00 0.00 C ATOM 333 O GLY A 19 -11.610 11.263 -3.083 1.00 0.00 O ATOM 0 H GLY A 19 -10.917 6.930 -2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.618 8.952 -2.719 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.288 8.707 -1.605 1.00 0.00 H new ATOM 337 N LEU A 20 -9.649 10.192 -3.427 1.00 0.00 N ATOM 338 CA LEU A 20 -8.943 11.387 -3.856 1.00 0.00 C ATOM 339 C LEU A 20 -8.316 11.139 -5.229 1.00 0.00 C ATOM 340 O LEU A 20 -7.553 10.190 -5.404 1.00 0.00 O ATOM 341 CB LEU A 20 -7.937 11.827 -2.791 1.00 0.00 C ATOM 342 CG LEU A 20 -8.522 12.532 -1.565 1.00 0.00 C ATOM 343 CD1 LEU A 20 -9.628 13.508 -1.971 1.00 0.00 C ATOM 344 CD2 LEU A 20 -9.006 11.517 -0.528 1.00 0.00 C ATOM 0 H LEU A 20 -9.085 9.342 -3.422 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.638 12.219 -3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.389 10.948 -2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.213 12.494 -3.258 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.731 13.118 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.027 13.996 -1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.220 14.261 -2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.426 12.964 -2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.417 12.044 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.777 10.886 -0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.169 10.897 -0.208 1.00 0.00 H new ATOM 356 N LEU A 21 -8.661 12.008 -6.168 1.00 0.00 N ATOM 357 CA LEU A 21 -8.141 11.895 -7.520 1.00 0.00 C ATOM 358 C LEU A 21 -6.701 11.381 -7.467 1.00 0.00 C ATOM 359 O LEU A 21 -6.451 10.198 -7.695 1.00 0.00 O ATOM 360 CB LEU A 21 -8.293 13.222 -8.265 1.00 0.00 C ATOM 361 CG LEU A 21 -7.484 13.363 -9.556 1.00 0.00 C ATOM 362 CD1 LEU A 21 -8.160 12.619 -10.710 1.00 0.00 C ATOM 363 CD2 LEU A 21 -7.237 14.835 -9.890 1.00 0.00 C ATOM 0 H LEU A 21 -9.294 12.793 -6.019 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.719 11.168 -8.091 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.347 13.364 -8.503 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.007 14.029 -7.591 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.509 12.900 -9.401 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.565 12.735 -11.616 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.242 11.561 -10.462 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.156 13.031 -10.875 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.660 14.907 -10.812 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.192 15.344 -10.019 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.683 15.304 -9.077 1.00 0.00 H new ATOM 375 N GLU A 22 -5.791 12.295 -7.163 1.00 0.00 N ATOM 376 CA GLU A 22 -4.383 11.950 -7.077 1.00 0.00 C ATOM 377 C GLU A 22 -4.214 10.562 -6.454 1.00 0.00 C ATOM 378 O GLU A 22 -3.571 9.690 -7.037 1.00 0.00 O ATOM 379 CB GLU A 22 -3.607 13.004 -6.286 1.00 0.00 C ATOM 380 CG GLU A 22 -2.218 13.230 -6.888 1.00 0.00 C ATOM 381 CD GLU A 22 -2.318 13.904 -8.258 1.00 0.00 C ATOM 382 OE1 GLU A 22 -2.506 13.218 -9.274 1.00 0.00 O ATOM 383 OE2 GLU A 22 -2.194 15.188 -8.245 1.00 0.00 O ATOM 0 H GLU A 22 -6.002 13.275 -6.973 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.973 11.927 -8.086 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.162 13.942 -6.282 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.510 12.686 -5.248 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.623 13.849 -6.217 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.700 12.276 -6.985 1.00 0.00 H new ATOM 391 N LEU A 23 -4.802 10.401 -5.278 1.00 0.00 N ATOM 392 CA LEU A 23 -4.725 9.135 -4.570 1.00 0.00 C ATOM 393 C LEU A 23 -5.156 8.004 -5.507 1.00 0.00 C ATOM 394 O LEU A 23 -4.465 6.993 -5.624 1.00 0.00 O ATOM 395 CB LEU A 23 -5.530 9.197 -3.271 1.00 0.00 C ATOM 396 CG LEU A 23 -4.979 8.380 -2.100 1.00 0.00 C ATOM 397 CD1 LEU A 23 -3.451 8.440 -2.061 1.00 0.00 C ATOM 398 CD2 LEU A 23 -5.605 8.827 -0.777 1.00 0.00 C ATOM 0 H LEU A 23 -5.334 11.127 -4.798 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.697 8.928 -4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.600 10.239 -2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.545 8.858 -3.479 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.256 7.337 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.085 7.851 -1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.047 8.036 -2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.130 9.475 -1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.196 8.231 0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.380 9.880 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.685 8.690 -0.821 1.00 0.00 H new ATOM 410 N ASP A 24 -6.295 8.214 -6.150 1.00 0.00 N ATOM 411 CA ASP A 24 -6.826 7.225 -7.073 1.00 0.00 C ATOM 412 C ASP A 24 -5.768 6.898 -8.128 1.00 0.00 C ATOM 413 O ASP A 24 -5.576 5.736 -8.481 1.00 0.00 O ATOM 414 CB ASP A 24 -8.066 7.756 -7.795 1.00 0.00 C ATOM 415 CG ASP A 24 -8.780 6.738 -8.687 1.00 0.00 C ATOM 416 OD1 ASP A 24 -9.675 7.091 -9.469 1.00 0.00 O ATOM 417 OD2 ASP A 24 -8.376 5.520 -8.555 1.00 0.00 O ATOM 0 H ASP A 24 -6.865 9.054 -6.050 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.095 6.338 -6.499 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.772 8.123 -7.050 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.774 8.610 -8.406 1.00 0.00 H new ATOM 423 N LEU A 25 -5.108 7.945 -8.602 1.00 0.00 N ATOM 424 CA LEU A 25 -4.074 7.784 -9.610 1.00 0.00 C ATOM 425 C LEU A 25 -2.823 7.189 -8.961 1.00 0.00 C ATOM 426 O LEU A 25 -2.201 6.285 -9.517 1.00 0.00 O ATOM 427 CB LEU A 25 -3.820 9.108 -10.334 1.00 0.00 C ATOM 428 CG LEU A 25 -5.048 9.990 -10.569 1.00 0.00 C ATOM 429 CD1 LEU A 25 -4.699 11.192 -11.449 1.00 0.00 C ATOM 430 CD2 LEU A 25 -6.207 9.174 -11.147 1.00 0.00 C ATOM 0 H LEU A 25 -5.269 8.908 -8.306 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.399 7.084 -10.379 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.091 9.680 -9.759 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.364 8.890 -11.300 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.378 10.380 -9.606 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.589 11.803 -11.601 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.928 11.789 -10.961 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.330 10.842 -12.413 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.067 9.825 -11.304 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.905 8.736 -12.098 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.476 8.380 -10.451 1.00 0.00 H new ATOM 442 N ILE A 26 -2.492 7.719 -7.793 1.00 0.00 N ATOM 443 CA ILE A 26 -1.326 7.251 -7.062 1.00 0.00 C ATOM 444 C ILE A 26 -1.210 5.733 -7.213 1.00 0.00 C ATOM 445 O ILE A 26 -0.248 5.236 -7.797 1.00 0.00 O ATOM 446 CB ILE A 26 -1.382 7.722 -5.607 1.00 0.00 C ATOM 447 CG1 ILE A 26 -1.013 9.203 -5.496 1.00 0.00 C ATOM 448 CG2 ILE A 26 -0.504 6.844 -4.713 1.00 0.00 C ATOM 449 CD1 ILE A 26 -1.381 9.757 -4.118 1.00 0.00 C ATOM 0 H ILE A 26 -3.011 8.468 -7.334 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.416 7.683 -7.478 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.408 7.618 -5.253 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.056 9.329 -5.669 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.531 9.770 -6.270 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.561 7.200 -3.684 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.853 5.813 -4.760 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.529 6.893 -5.057 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.109 10.811 -4.065 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.454 9.651 -3.958 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.843 9.204 -3.348 1.00 0.00 H new ATOM 461 N PHE A 27 -2.204 5.040 -6.678 1.00 0.00 N ATOM 462 CA PHE A 27 -2.226 3.588 -6.746 1.00 0.00 C ATOM 463 C PHE A 27 -1.864 3.100 -8.150 1.00 0.00 C ATOM 464 O PHE A 27 -1.165 2.100 -8.303 1.00 0.00 O ATOM 465 CB PHE A 27 -3.653 3.146 -6.416 1.00 0.00 C ATOM 466 CG PHE A 27 -4.085 3.457 -4.982 1.00 0.00 C ATOM 467 CD1 PHE A 27 -3.391 2.936 -3.935 1.00 0.00 C ATOM 468 CD2 PHE A 27 -5.163 4.255 -4.754 1.00 0.00 C ATOM 469 CE1 PHE A 27 -3.793 3.225 -2.603 1.00 0.00 C ATOM 470 CE2 PHE A 27 -5.564 4.543 -3.423 1.00 0.00 C ATOM 471 CZ PHE A 27 -4.870 4.022 -2.376 1.00 0.00 C ATOM 0 H PHE A 27 -3.000 5.457 -6.195 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.500 3.171 -6.048 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.342 3.633 -7.106 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.738 2.073 -6.586 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.535 2.303 -4.116 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.714 4.669 -5.586 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.243 2.811 -1.771 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.420 5.176 -3.242 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.175 4.242 -1.364 1.00 0.00 H new ATOM 481 N GLY A 28 -2.358 3.829 -9.141 1.00 0.00 N ATOM 482 CA GLY A 28 -2.096 3.483 -10.527 1.00 0.00 C ATOM 483 C GLY A 28 -0.631 3.090 -10.727 1.00 0.00 C ATOM 484 O GLY A 28 -0.335 1.973 -11.148 1.00 0.00 O ATOM 0 H GLY A 28 -2.938 4.658 -9.011 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.742 2.658 -10.828 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.340 4.329 -11.169 1.00 0.00 H new ATOM 488 N ARG A 29 0.249 4.032 -10.416 1.00 0.00 N ATOM 489 CA ARG A 29 1.676 3.798 -10.556 1.00 0.00 C ATOM 490 C ARG A 29 2.238 3.166 -9.281 1.00 0.00 C ATOM 491 O ARG A 29 2.952 2.167 -9.342 1.00 0.00 O ATOM 492 CB ARG A 29 2.422 5.103 -10.842 1.00 0.00 C ATOM 493 CG ARG A 29 2.511 5.366 -12.347 1.00 0.00 C ATOM 494 CD ARG A 29 3.867 5.971 -12.718 1.00 0.00 C ATOM 495 NE ARG A 29 4.066 5.906 -14.183 1.00 0.00 N ATOM 496 CZ ARG A 29 3.646 6.855 -15.046 1.00 0.00 C ATOM 497 NH1 ARG A 29 3.000 7.952 -14.598 1.00 0.00 N ATOM 498 NH2 ARG A 29 3.878 6.694 -16.336 1.00 0.00 N ATOM 0 H ARG A 29 0.001 4.958 -10.068 1.00 0.00 H new ATOM 0 HA ARG A 29 1.820 3.118 -11.396 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.911 5.933 -10.354 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.425 5.053 -10.418 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.363 4.434 -12.892 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.712 6.043 -12.650 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.917 7.007 -12.381 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.666 5.432 -12.210 1.00 0.00 H new ATOM 0 HE ARG A 29 4.551 5.094 -14.564 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.826 8.069 -13.600 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.686 8.664 -15.258 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.368 5.862 -16.666 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.568 7.401 -17.002 1.00 0.00 H new ATOM 511 N PHE A 30 1.895 3.776 -8.156 1.00 0.00 N ATOM 512 CA PHE A 30 2.356 3.285 -6.868 1.00 0.00 C ATOM 513 C PHE A 30 2.382 1.755 -6.842 1.00 0.00 C ATOM 514 O PHE A 30 3.452 1.150 -6.788 1.00 0.00 O ATOM 515 CB PHE A 30 1.363 3.784 -5.817 1.00 0.00 C ATOM 516 CG PHE A 30 1.281 2.902 -4.570 1.00 0.00 C ATOM 517 CD1 PHE A 30 2.372 2.203 -4.158 1.00 0.00 C ATOM 518 CD2 PHE A 30 0.116 2.816 -3.874 1.00 0.00 C ATOM 519 CE1 PHE A 30 2.296 1.384 -3.000 1.00 0.00 C ATOM 520 CE2 PHE A 30 0.039 1.997 -2.716 1.00 0.00 C ATOM 521 CZ PHE A 30 1.130 1.298 -2.304 1.00 0.00 C ATOM 0 H PHE A 30 1.303 4.606 -8.109 1.00 0.00 H new ATOM 0 HA PHE A 30 3.367 3.643 -6.674 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.644 4.794 -5.517 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.373 3.849 -6.269 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.297 2.271 -4.712 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.751 3.371 -4.202 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.163 0.830 -2.672 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.886 1.930 -2.163 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.071 0.674 -1.424 1.00 0.00 H new ATOM 531 N MET A 31 1.192 1.174 -6.881 1.00 0.00 N ATOM 532 CA MET A 31 1.065 -0.273 -6.862 1.00 0.00 C ATOM 533 C MET A 31 1.979 -0.917 -7.906 1.00 0.00 C ATOM 534 O MET A 31 2.775 -1.797 -7.581 1.00 0.00 O ATOM 535 CB MET A 31 -0.388 -0.662 -7.145 1.00 0.00 C ATOM 536 CG MET A 31 -0.960 -1.509 -6.007 1.00 0.00 C ATOM 537 SD MET A 31 -2.508 -2.241 -6.511 1.00 0.00 S ATOM 538 CE MET A 31 -1.933 -3.840 -7.055 1.00 0.00 C ATOM 0 H MET A 31 0.307 1.679 -6.926 1.00 0.00 H new ATOM 0 HA MET A 31 1.361 -0.632 -5.876 1.00 0.00 H new ATOM 0 HB2 MET A 31 -0.991 0.237 -7.272 1.00 0.00 H new ATOM 0 HB3 MET A 31 -0.444 -1.218 -8.081 1.00 0.00 H new ATOM 0 HG2 MET A 31 -0.251 -2.290 -5.732 1.00 0.00 H new ATOM 0 HG3 MET A 31 -1.112 -0.890 -5.123 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.786 -4.502 -7.203 1.00 0.00 H new ATOM 0 HE2 MET A 31 -1.391 -3.731 -7.994 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.270 -4.264 -6.301 1.00 0.00 H new ATOM 548 N GLU A 32 1.834 -0.455 -9.139 1.00 0.00 N ATOM 549 CA GLU A 32 2.637 -0.975 -10.233 1.00 0.00 C ATOM 550 C GLU A 32 4.125 -0.766 -9.945 1.00 0.00 C ATOM 551 O GLU A 32 4.965 -1.529 -10.419 1.00 0.00 O ATOM 552 CB GLU A 32 2.239 -0.328 -11.561 1.00 0.00 C ATOM 553 CG GLU A 32 2.107 -1.379 -12.665 1.00 0.00 C ATOM 554 CD GLU A 32 1.995 -0.719 -14.041 1.00 0.00 C ATOM 555 OE1 GLU A 32 2.977 -0.146 -14.535 1.00 0.00 O ATOM 556 OE2 GLU A 32 0.836 -0.817 -14.599 1.00 0.00 O ATOM 0 H GLU A 32 1.172 0.274 -9.405 1.00 0.00 H new ATOM 0 HA GLU A 32 2.450 -2.046 -10.318 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.293 0.201 -11.443 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.986 0.413 -11.847 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.972 -2.042 -12.645 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.227 -1.996 -12.481 1.00 0.00 H new ATOM 564 N LYS A 33 4.405 0.272 -9.171 1.00 0.00 N ATOM 565 CA LYS A 33 5.777 0.591 -8.815 1.00 0.00 C ATOM 566 C LYS A 33 6.079 0.039 -7.420 1.00 0.00 C ATOM 567 O LYS A 33 7.152 0.283 -6.871 1.00 0.00 O ATOM 568 CB LYS A 33 6.030 2.094 -8.949 1.00 0.00 C ATOM 569 CG LYS A 33 7.010 2.385 -10.087 1.00 0.00 C ATOM 570 CD LYS A 33 7.665 3.757 -9.909 1.00 0.00 C ATOM 571 CE LYS A 33 6.680 4.881 -10.235 1.00 0.00 C ATOM 572 NZ LYS A 33 6.213 5.537 -8.994 1.00 0.00 N ATOM 0 H LYS A 33 3.705 0.903 -8.780 1.00 0.00 H new ATOM 0 HA LYS A 33 6.471 0.111 -9.506 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.088 2.610 -9.135 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.428 2.484 -8.012 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.778 1.612 -10.117 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.485 2.350 -11.042 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.019 3.865 -8.884 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.538 3.834 -10.557 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.158 5.615 -10.883 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.828 4.478 -10.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.545 6.297 -9.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.738 4.837 -8.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.027 5.938 -8.486 1.00 0.00 H new ATOM 585 N GLU A 34 5.113 -0.695 -6.887 1.00 0.00 N ATOM 586 CA GLU A 34 5.262 -1.284 -5.567 1.00 0.00 C ATOM 587 C GLU A 34 4.787 -2.738 -5.578 1.00 0.00 C ATOM 588 O GLU A 34 5.598 -3.660 -5.509 1.00 0.00 O ATOM 589 CB GLU A 34 4.508 -0.468 -4.515 1.00 0.00 C ATOM 590 CG GLU A 34 5.386 0.654 -3.958 1.00 0.00 C ATOM 591 CD GLU A 34 6.256 0.149 -2.806 1.00 0.00 C ATOM 592 OE1 GLU A 34 5.916 0.361 -1.632 1.00 0.00 O ATOM 593 OE2 GLU A 34 7.321 -0.486 -3.164 1.00 0.00 O ATOM 0 H GLU A 34 4.224 -0.895 -7.345 1.00 0.00 H new ATOM 0 HA GLU A 34 6.319 -1.270 -5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.606 -0.044 -4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.188 -1.121 -3.703 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.020 1.051 -4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.757 1.474 -3.611 1.00 0.00 H new ATOM 601 N PHE A 35 3.475 -2.898 -5.665 1.00 0.00 N ATOM 602 CA PHE A 35 2.882 -4.225 -5.686 1.00 0.00 C ATOM 603 C PHE A 35 3.618 -5.138 -6.668 1.00 0.00 C ATOM 604 O PHE A 35 3.794 -6.327 -6.403 1.00 0.00 O ATOM 605 CB PHE A 35 1.433 -4.060 -6.148 1.00 0.00 C ATOM 606 CG PHE A 35 0.959 -5.151 -7.111 1.00 0.00 C ATOM 607 CD1 PHE A 35 0.771 -6.420 -6.661 1.00 0.00 C ATOM 608 CD2 PHE A 35 0.727 -4.851 -8.417 1.00 0.00 C ATOM 609 CE1 PHE A 35 0.331 -7.432 -7.554 1.00 0.00 C ATOM 610 CE2 PHE A 35 0.287 -5.863 -9.310 1.00 0.00 C ATOM 611 CZ PHE A 35 0.099 -7.132 -8.860 1.00 0.00 C ATOM 0 H PHE A 35 2.805 -2.131 -5.722 1.00 0.00 H new ATOM 0 HA PHE A 35 2.944 -4.676 -4.696 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.782 -4.054 -5.274 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.325 -3.090 -6.633 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.956 -6.658 -5.624 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.877 -3.843 -8.775 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.181 -8.440 -7.196 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.102 -5.625 -10.347 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.235 -7.902 -9.540 1.00 0.00 H new ATOM 621 N GLU A 36 4.027 -4.549 -7.782 1.00 0.00 N ATOM 622 CA GLU A 36 4.740 -5.295 -8.805 1.00 0.00 C ATOM 623 C GLU A 36 6.080 -5.793 -8.262 1.00 0.00 C ATOM 624 O GLU A 36 6.723 -6.646 -8.872 1.00 0.00 O ATOM 625 CB GLU A 36 4.938 -4.447 -10.063 1.00 0.00 C ATOM 626 CG GLU A 36 4.809 -5.301 -11.326 1.00 0.00 C ATOM 627 CD GLU A 36 4.850 -4.430 -12.584 1.00 0.00 C ATOM 628 OE1 GLU A 36 5.899 -3.852 -12.903 1.00 0.00 O ATOM 629 OE2 GLU A 36 3.741 -4.367 -13.239 1.00 0.00 O ATOM 0 H GLU A 36 3.878 -3.563 -7.999 1.00 0.00 H new ATOM 0 HA GLU A 36 4.139 -6.161 -9.082 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.200 -3.645 -10.085 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.920 -3.976 -10.037 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.617 -6.032 -11.359 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.874 -5.860 -11.297 1.00 0.00 H new ATOM 637 N HIS A 37 6.463 -5.239 -7.121 1.00 0.00 N ATOM 638 CA HIS A 37 7.716 -5.617 -6.489 1.00 0.00 C ATOM 639 C HIS A 37 7.438 -6.180 -5.094 1.00 0.00 C ATOM 640 O HIS A 37 8.341 -6.695 -4.437 1.00 0.00 O ATOM 641 CB HIS A 37 8.691 -4.438 -6.469 1.00 0.00 C ATOM 642 CG HIS A 37 10.005 -4.740 -5.788 1.00 0.00 C ATOM 643 ND1 HIS A 37 10.848 -5.755 -6.203 1.00 0.00 N ATOM 644 CD2 HIS A 37 10.611 -4.148 -4.719 1.00 0.00 C ATOM 645 CE1 HIS A 37 11.911 -5.766 -5.411 1.00 0.00 C ATOM 646 NE2 HIS A 37 11.761 -4.770 -4.492 1.00 0.00 N ATOM 0 H HIS A 37 5.928 -4.531 -6.618 1.00 0.00 H new ATOM 0 HA HIS A 37 8.198 -6.403 -7.070 1.00 0.00 H new ATOM 0 HB2 HIS A 37 8.888 -4.125 -7.494 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.217 -3.596 -5.965 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.221 -3.315 -4.153 1.00 0.00 H new ATOM 0 HE1 HIS A 37 12.748 -6.444 -5.481 1.00 0.00 H new ATOM 0 HE2 HIS A 37 12.424 -4.541 -3.752 1.00 0.00 H new ATOM 654 N LEU A 38 6.184 -6.063 -4.683 1.00 0.00 N ATOM 655 CA LEU A 38 5.775 -6.554 -3.378 1.00 0.00 C ATOM 656 C LEU A 38 5.894 -8.079 -3.351 1.00 0.00 C ATOM 657 O LEU A 38 6.462 -8.677 -4.264 1.00 0.00 O ATOM 658 CB LEU A 38 4.377 -6.040 -3.026 1.00 0.00 C ATOM 659 CG LEU A 38 4.275 -4.551 -2.688 1.00 0.00 C ATOM 660 CD1 LEU A 38 2.832 -4.160 -2.364 1.00 0.00 C ATOM 661 CD2 LEU A 38 5.237 -4.178 -1.559 1.00 0.00 C ATOM 0 H LEU A 38 5.437 -5.635 -5.231 1.00 0.00 H new ATOM 0 HA LEU A 38 6.436 -6.169 -2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.713 -6.248 -3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.005 -6.612 -2.176 1.00 0.00 H new ATOM 0 HG LEU A 38 4.574 -3.980 -3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.787 -3.097 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.197 -4.367 -3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.482 -4.737 -1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.144 -3.115 -1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.993 -4.756 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.260 -4.397 -1.865 1.00 0.00 H new ATOM 673 N SER A 39 5.350 -8.665 -2.295 1.00 0.00 N ATOM 674 CA SER A 39 5.388 -10.109 -2.137 1.00 0.00 C ATOM 675 C SER A 39 4.357 -10.549 -1.096 1.00 0.00 C ATOM 676 O SER A 39 3.858 -9.730 -0.327 1.00 0.00 O ATOM 677 CB SER A 39 6.786 -10.582 -1.733 1.00 0.00 C ATOM 678 OG SER A 39 7.811 -9.796 -2.336 1.00 0.00 O ATOM 0 H SER A 39 4.880 -8.166 -1.540 1.00 0.00 H new ATOM 0 HA SER A 39 5.143 -10.565 -3.096 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.885 -10.536 -0.648 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.913 -11.626 -2.021 1.00 0.00 H new ATOM 0 HG SER A 39 7.580 -9.619 -3.272 1.00 0.00 H new ATOM 684 N ASP A 40 4.069 -11.842 -1.105 1.00 0.00 N ATOM 685 CA ASP A 40 3.107 -12.402 -0.172 1.00 0.00 C ATOM 686 C ASP A 40 3.258 -11.710 1.185 1.00 0.00 C ATOM 687 O ASP A 40 2.268 -11.461 1.872 1.00 0.00 O ATOM 688 CB ASP A 40 3.344 -13.899 0.033 1.00 0.00 C ATOM 689 CG ASP A 40 2.290 -14.610 0.884 1.00 0.00 C ATOM 690 OD1 ASP A 40 1.348 -13.983 1.391 1.00 0.00 O ATOM 691 OD2 ASP A 40 2.466 -15.881 1.020 1.00 0.00 O ATOM 0 H ASP A 40 4.486 -12.519 -1.745 1.00 0.00 H new ATOM 0 HA ASP A 40 2.110 -12.248 -0.584 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.387 -14.382 -0.943 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.319 -14.037 0.500 1.00 0.00 H new ATOM 697 N LYS A 41 4.503 -11.418 1.529 1.00 0.00 N ATOM 698 CA LYS A 41 4.796 -10.760 2.791 1.00 0.00 C ATOM 699 C LYS A 41 4.137 -9.380 2.807 1.00 0.00 C ATOM 700 O LYS A 41 3.225 -9.132 3.594 1.00 0.00 O ATOM 701 CB LYS A 41 6.306 -10.723 3.038 1.00 0.00 C ATOM 702 CG LYS A 41 6.615 -10.315 4.480 1.00 0.00 C ATOM 703 CD LYS A 41 8.101 -9.994 4.652 1.00 0.00 C ATOM 704 CE LYS A 41 8.555 -10.251 6.090 1.00 0.00 C ATOM 705 NZ LYS A 41 9.245 -11.556 6.191 1.00 0.00 N ATOM 0 H LYS A 41 5.321 -11.625 0.956 1.00 0.00 H new ATOM 0 HA LYS A 41 4.374 -11.325 3.622 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.736 -11.704 2.834 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.774 -10.020 2.349 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.017 -9.445 4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.332 -11.120 5.158 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.690 -10.603 3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.284 -8.952 4.390 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.224 -9.454 6.414 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.694 -10.236 6.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.546 -11.714 7.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.596 -12.315 5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.078 -11.557 5.569 1.00 0.00 H new ATOM 718 N GLU A 42 4.623 -8.517 1.927 1.00 0.00 N ATOM 719 CA GLU A 42 4.092 -7.168 1.829 1.00 0.00 C ATOM 720 C GLU A 42 2.573 -7.207 1.647 1.00 0.00 C ATOM 721 O GLU A 42 1.856 -6.379 2.206 1.00 0.00 O ATOM 722 CB GLU A 42 4.761 -6.396 0.690 1.00 0.00 C ATOM 723 CG GLU A 42 6.284 -6.412 0.838 1.00 0.00 C ATOM 724 CD GLU A 42 6.793 -5.090 1.414 1.00 0.00 C ATOM 725 OE1 GLU A 42 6.478 -4.753 2.566 1.00 0.00 O ATOM 726 OE2 GLU A 42 7.543 -4.402 0.622 1.00 0.00 O ATOM 0 H GLU A 42 5.379 -8.726 1.275 1.00 0.00 H new ATOM 0 HA GLU A 42 4.314 -6.643 2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.480 -6.836 -0.267 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.403 -5.366 0.684 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.581 -7.235 1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.745 -6.591 -0.133 1.00 0.00 H new ATOM 734 N LEU A 43 2.128 -8.178 0.862 1.00 0.00 N ATOM 735 CA LEU A 43 0.708 -8.336 0.599 1.00 0.00 C ATOM 736 C LEU A 43 -0.073 -8.123 1.897 1.00 0.00 C ATOM 737 O LEU A 43 -1.130 -7.493 1.893 1.00 0.00 O ATOM 738 CB LEU A 43 0.434 -9.684 -0.070 1.00 0.00 C ATOM 739 CG LEU A 43 1.044 -9.880 -1.460 1.00 0.00 C ATOM 740 CD1 LEU A 43 0.173 -10.802 -2.316 1.00 0.00 C ATOM 741 CD2 LEU A 43 1.297 -8.534 -2.142 1.00 0.00 C ATOM 0 H LEU A 43 2.726 -8.863 0.400 1.00 0.00 H new ATOM 0 HA LEU A 43 0.365 -7.580 -0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.806 -10.473 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.645 -9.816 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 43 2.011 -10.369 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.629 -10.925 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.088 -11.775 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.819 -10.364 -2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.731 -8.701 -3.128 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.355 -7.996 -2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.986 -7.944 -1.538 1.00 0.00 H new ATOM 753 N SER A 44 0.476 -8.661 2.976 1.00 0.00 N ATOM 754 CA SER A 44 -0.156 -8.538 4.278 1.00 0.00 C ATOM 755 C SER A 44 -0.198 -7.069 4.703 1.00 0.00 C ATOM 756 O SER A 44 -1.257 -6.548 5.047 1.00 0.00 O ATOM 757 CB SER A 44 0.578 -9.373 5.328 1.00 0.00 C ATOM 758 OG SER A 44 0.840 -10.697 4.870 1.00 0.00 O ATOM 0 H SER A 44 1.352 -9.183 2.975 1.00 0.00 H new ATOM 0 HA SER A 44 -1.175 -8.916 4.200 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.518 -8.886 5.586 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.019 -9.416 6.239 1.00 0.00 H new ATOM 0 HG SER A 44 1.651 -10.698 4.320 1.00 0.00 H new ATOM 764 N GLU A 45 0.969 -6.441 4.665 1.00 0.00 N ATOM 765 CA GLU A 45 1.079 -5.043 5.042 1.00 0.00 C ATOM 766 C GLU A 45 0.154 -4.185 4.176 1.00 0.00 C ATOM 767 O GLU A 45 -0.705 -3.474 4.695 1.00 0.00 O ATOM 768 CB GLU A 45 2.528 -4.560 4.941 1.00 0.00 C ATOM 769 CG GLU A 45 3.435 -5.348 5.888 1.00 0.00 C ATOM 770 CD GLU A 45 2.799 -5.480 7.274 1.00 0.00 C ATOM 771 OE1 GLU A 45 2.133 -4.544 7.742 1.00 0.00 O ATOM 772 OE2 GLU A 45 3.017 -6.603 7.869 1.00 0.00 O ATOM 0 H GLU A 45 1.846 -6.876 4.379 1.00 0.00 H new ATOM 0 HA GLU A 45 0.768 -4.942 6.082 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.882 -4.671 3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.579 -3.498 5.182 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.624 -6.339 5.475 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.400 -4.848 5.973 1.00 0.00 H new ATOM 780 N PHE A 46 0.362 -4.280 2.871 1.00 0.00 N ATOM 781 CA PHE A 46 -0.443 -3.522 1.928 1.00 0.00 C ATOM 782 C PHE A 46 -1.923 -3.562 2.313 1.00 0.00 C ATOM 783 O PHE A 46 -2.525 -2.525 2.587 1.00 0.00 O ATOM 784 CB PHE A 46 -0.266 -4.181 0.558 1.00 0.00 C ATOM 785 CG PHE A 46 0.214 -3.225 -0.535 1.00 0.00 C ATOM 786 CD1 PHE A 46 1.303 -2.439 -0.322 1.00 0.00 C ATOM 787 CD2 PHE A 46 -0.449 -3.160 -1.721 1.00 0.00 C ATOM 788 CE1 PHE A 46 1.749 -1.552 -1.336 1.00 0.00 C ATOM 789 CE2 PHE A 46 -0.003 -2.273 -2.736 1.00 0.00 C ATOM 790 CZ PHE A 46 1.086 -1.487 -2.522 1.00 0.00 C ATOM 0 H PHE A 46 1.076 -4.870 2.444 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.126 -2.479 1.922 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.448 -5.000 0.650 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.216 -4.619 0.252 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.829 -2.490 0.620 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.315 -3.783 -1.891 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.615 -0.929 -1.166 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.529 -2.222 -3.678 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.424 -0.811 -3.294 1.00 0.00 H new ATOM 800 N SER A 47 -2.466 -4.771 2.322 1.00 0.00 N ATOM 801 CA SER A 47 -3.865 -4.960 2.669 1.00 0.00 C ATOM 802 C SER A 47 -4.148 -4.357 4.047 1.00 0.00 C ATOM 803 O SER A 47 -5.299 -4.086 4.385 1.00 0.00 O ATOM 804 CB SER A 47 -4.241 -6.443 2.652 1.00 0.00 C ATOM 805 OG SER A 47 -5.455 -6.677 1.944 1.00 0.00 O ATOM 0 H SER A 47 -1.963 -5.629 2.095 1.00 0.00 H new ATOM 0 HA SER A 47 -4.474 -4.450 1.923 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.436 -7.016 2.191 1.00 0.00 H new ATOM 0 HB3 SER A 47 -4.343 -6.803 3.676 1.00 0.00 H new ATOM 0 HG SER A 47 -6.024 -5.881 1.998 1.00 0.00 H new ATOM 811 N GLU A 48 -3.078 -4.163 4.804 1.00 0.00 N ATOM 812 CA GLU A 48 -3.197 -3.597 6.137 1.00 0.00 C ATOM 813 C GLU A 48 -3.206 -2.069 6.066 1.00 0.00 C ATOM 814 O GLU A 48 -4.002 -1.417 6.741 1.00 0.00 O ATOM 815 CB GLU A 48 -2.073 -4.097 7.047 1.00 0.00 C ATOM 816 CG GLU A 48 -2.640 -4.770 8.299 1.00 0.00 C ATOM 817 CD GLU A 48 -2.736 -6.286 8.110 1.00 0.00 C ATOM 818 OE1 GLU A 48 -1.713 -6.984 8.173 1.00 0.00 O ATOM 819 OE2 GLU A 48 -3.925 -6.734 7.892 1.00 0.00 O ATOM 0 H GLU A 48 -2.125 -4.388 4.520 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.143 -3.927 6.568 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.446 -4.803 6.502 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.435 -3.262 7.336 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.005 -4.546 9.156 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.627 -4.364 8.519 1.00 0.00 H new ATOM 827 N ILE A 49 -2.313 -1.541 5.241 1.00 0.00 N ATOM 828 CA ILE A 49 -2.209 -0.102 5.073 1.00 0.00 C ATOM 829 C ILE A 49 -3.355 0.388 4.185 1.00 0.00 C ATOM 830 O ILE A 49 -3.944 1.435 4.448 1.00 0.00 O ATOM 831 CB ILE A 49 -0.822 0.277 4.551 1.00 0.00 C ATOM 832 CG1 ILE A 49 -0.025 1.038 5.613 1.00 0.00 C ATOM 833 CG2 ILE A 49 -0.924 1.061 3.241 1.00 0.00 C ATOM 834 CD1 ILE A 49 1.377 1.380 5.106 1.00 0.00 C ATOM 0 H ILE A 49 -1.655 -2.084 4.682 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.312 0.402 6.034 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.276 -0.642 4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.552 1.954 5.881 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.049 0.436 6.518 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.076 1.318 2.892 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.425 0.451 2.490 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.496 1.974 3.407 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.922 1.920 5.880 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.910 0.461 4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.300 2.003 4.215 1.00 0.00 H new ATOM 846 N LEU A 50 -3.636 -0.393 3.153 1.00 0.00 N ATOM 847 CA LEU A 50 -4.701 -0.052 2.225 1.00 0.00 C ATOM 848 C LEU A 50 -6.028 0.021 2.983 1.00 0.00 C ATOM 849 O LEU A 50 -6.903 0.813 2.636 1.00 0.00 O ATOM 850 CB LEU A 50 -4.719 -1.027 1.047 1.00 0.00 C ATOM 851 CG LEU A 50 -3.416 -1.143 0.253 1.00 0.00 C ATOM 852 CD1 LEU A 50 -3.318 -2.501 -0.446 1.00 0.00 C ATOM 853 CD2 LEU A 50 -3.267 0.019 -0.730 1.00 0.00 C ATOM 0 H LEU A 50 -3.145 -1.261 2.939 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.526 0.932 1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.981 -2.016 1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.512 -0.725 0.363 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.583 -1.081 0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.383 -2.557 -1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.345 -3.296 0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.157 -2.618 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.333 -0.088 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.103 0.014 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.259 0.961 -0.181 1.00 0.00 H new ATOM 865 N GLU A 51 -6.137 -0.817 4.004 1.00 0.00 N ATOM 866 CA GLU A 51 -7.342 -0.858 4.813 1.00 0.00 C ATOM 867 C GLU A 51 -7.897 0.554 5.011 1.00 0.00 C ATOM 868 O GLU A 51 -9.109 0.761 4.962 1.00 0.00 O ATOM 869 CB GLU A 51 -7.076 -1.536 6.159 1.00 0.00 C ATOM 870 CG GLU A 51 -7.111 -3.059 6.022 1.00 0.00 C ATOM 871 CD GLU A 51 -8.228 -3.662 6.876 1.00 0.00 C ATOM 872 OE1 GLU A 51 -8.009 -3.964 8.059 1.00 0.00 O ATOM 873 OE2 GLU A 51 -9.357 -3.812 6.271 1.00 0.00 O ATOM 0 H GLU A 51 -5.410 -1.473 4.289 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.090 -1.451 4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.104 -1.224 6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.823 -1.215 6.886 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.261 -3.330 4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.151 -3.477 6.325 1.00 0.00 H new ATOM 881 N PHE A 52 -6.984 1.489 5.231 1.00 0.00 N ATOM 882 CA PHE A 52 -7.367 2.875 5.436 1.00 0.00 C ATOM 883 C PHE A 52 -7.963 3.474 4.161 1.00 0.00 C ATOM 884 O PHE A 52 -7.659 3.023 3.058 1.00 0.00 O ATOM 885 CB PHE A 52 -6.094 3.642 5.799 1.00 0.00 C ATOM 886 CG PHE A 52 -5.955 3.946 7.292 1.00 0.00 C ATOM 887 CD1 PHE A 52 -6.725 4.910 7.864 1.00 0.00 C ATOM 888 CD2 PHE A 52 -5.061 3.253 8.047 1.00 0.00 C ATOM 889 CE1 PHE A 52 -6.596 5.192 9.250 1.00 0.00 C ATOM 890 CE2 PHE A 52 -4.931 3.535 9.432 1.00 0.00 C ATOM 891 CZ PHE A 52 -5.702 4.499 10.005 1.00 0.00 C ATOM 0 H PHE A 52 -5.980 1.313 5.272 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.120 2.940 6.222 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.229 3.064 5.474 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.077 4.580 5.245 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.434 5.461 7.264 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.450 2.488 7.592 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.208 5.957 9.705 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.220 2.985 10.031 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.604 4.714 11.059 1.00 0.00 H new ATOM 901 N GLN A 53 -8.801 4.482 4.354 1.00 0.00 N ATOM 902 CA GLN A 53 -9.443 5.147 3.233 1.00 0.00 C ATOM 903 C GLN A 53 -8.461 6.102 2.550 1.00 0.00 C ATOM 904 O GLN A 53 -7.343 6.294 3.026 1.00 0.00 O ATOM 905 CB GLN A 53 -10.704 5.887 3.683 1.00 0.00 C ATOM 906 CG GLN A 53 -11.399 5.142 4.824 1.00 0.00 C ATOM 907 CD GLN A 53 -12.910 5.072 4.593 1.00 0.00 C ATOM 908 OE1 GLN A 53 -13.392 4.498 3.630 1.00 0.00 O ATOM 909 NE2 GLN A 53 -13.629 5.688 5.527 1.00 0.00 N ATOM 0 H GLN A 53 -9.050 4.854 5.270 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.745 4.389 2.510 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.443 6.894 4.008 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.389 5.991 2.841 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.993 4.134 4.905 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.195 5.645 5.769 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -13.163 6.150 6.308 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -14.647 5.699 5.462 1.00 0.00 H new ATOM 918 N ASP A 54 -8.915 6.676 1.445 1.00 0.00 N ATOM 919 CA ASP A 54 -8.090 7.606 0.693 1.00 0.00 C ATOM 920 C ASP A 54 -7.850 8.862 1.532 1.00 0.00 C ATOM 921 O ASP A 54 -6.709 9.182 1.864 1.00 0.00 O ATOM 922 CB ASP A 54 -8.782 8.030 -0.604 1.00 0.00 C ATOM 923 CG ASP A 54 -8.154 7.475 -1.884 1.00 0.00 C ATOM 924 OD1 ASP A 54 -7.280 6.597 -1.837 1.00 0.00 O ATOM 925 OD2 ASP A 54 -8.604 7.988 -2.979 1.00 0.00 O ATOM 0 H ASP A 54 -9.843 6.515 1.053 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.150 7.107 0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.824 7.714 -0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.781 9.119 -0.659 1.00 0.00 H new ATOM 931 N GLN A 55 -8.942 9.540 1.852 1.00 0.00 N ATOM 932 CA GLN A 55 -8.864 10.754 2.647 1.00 0.00 C ATOM 933 C GLN A 55 -7.872 10.572 3.798 1.00 0.00 C ATOM 934 O GLN A 55 -6.936 11.357 3.945 1.00 0.00 O ATOM 935 CB GLN A 55 -10.244 11.156 3.172 1.00 0.00 C ATOM 936 CG GLN A 55 -10.391 12.678 3.217 1.00 0.00 C ATOM 937 CD GLN A 55 -11.863 13.083 3.319 1.00 0.00 C ATOM 938 OE1 GLN A 55 -12.456 13.606 2.389 1.00 0.00 O ATOM 939 NE2 GLN A 55 -12.418 12.815 4.497 1.00 0.00 N ATOM 0 H GLN A 55 -9.886 9.272 1.575 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.506 11.561 2.008 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.018 10.731 2.533 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.392 10.743 4.170 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.841 13.075 4.070 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.951 13.116 2.321 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.865 12.376 5.233 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.397 13.049 4.665 1.00 0.00 H new ATOM 948 N GLU A 56 -8.110 9.532 4.583 1.00 0.00 N ATOM 949 CA GLU A 56 -7.248 9.237 5.716 1.00 0.00 C ATOM 950 C GLU A 56 -5.834 8.906 5.235 1.00 0.00 C ATOM 951 O GLU A 56 -4.854 9.392 5.797 1.00 0.00 O ATOM 952 CB GLU A 56 -7.823 8.097 6.559 1.00 0.00 C ATOM 953 CG GLU A 56 -8.991 8.584 7.417 1.00 0.00 C ATOM 954 CD GLU A 56 -9.678 7.413 8.124 1.00 0.00 C ATOM 955 OE1 GLU A 56 -9.242 7.003 9.210 1.00 0.00 O ATOM 956 OE2 GLU A 56 -10.701 6.928 7.506 1.00 0.00 O ATOM 0 H GLU A 56 -8.887 8.883 4.457 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.196 10.122 6.350 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.158 7.291 5.906 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.043 7.685 7.200 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.630 9.299 8.157 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.712 9.109 6.791 1.00 0.00 H new ATOM 964 N LEU A 57 -5.773 8.080 4.201 1.00 0.00 N ATOM 965 CA LEU A 57 -4.495 7.677 3.639 1.00 0.00 C ATOM 966 C LEU A 57 -3.681 8.925 3.290 1.00 0.00 C ATOM 967 O LEU A 57 -2.549 9.078 3.745 1.00 0.00 O ATOM 968 CB LEU A 57 -4.705 6.730 2.456 1.00 0.00 C ATOM 969 CG LEU A 57 -3.446 6.335 1.681 1.00 0.00 C ATOM 970 CD1 LEU A 57 -2.534 5.450 2.532 1.00 0.00 C ATOM 971 CD2 LEU A 57 -3.806 5.675 0.349 1.00 0.00 C ATOM 0 H LEU A 57 -6.588 7.679 3.738 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.917 7.113 4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.181 5.821 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.403 7.197 1.762 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.889 7.243 1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.647 5.183 1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.236 5.992 3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.068 4.543 2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.893 5.404 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.397 4.778 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.385 6.372 -0.257 1.00 0.00 H new ATOM 983 N LEU A 58 -4.290 9.785 2.486 1.00 0.00 N ATOM 984 CA LEU A 58 -3.635 11.014 2.072 1.00 0.00 C ATOM 985 C LEU A 58 -3.141 11.766 3.309 1.00 0.00 C ATOM 986 O LEU A 58 -1.937 11.919 3.507 1.00 0.00 O ATOM 987 CB LEU A 58 -4.564 11.840 1.180 1.00 0.00 C ATOM 988 CG LEU A 58 -3.915 12.490 -0.044 1.00 0.00 C ATOM 989 CD1 LEU A 58 -3.498 11.433 -1.069 1.00 0.00 C ATOM 990 CD2 LEU A 58 -4.834 13.550 -0.654 1.00 0.00 C ATOM 0 H LEU A 58 -5.229 9.655 2.111 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.758 10.793 1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.374 11.196 0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.015 12.625 1.787 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.008 13.000 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.040 11.921 -1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.781 10.749 -0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.376 10.875 -1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.349 13.996 -1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.771 13.086 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.038 14.324 0.086 1.00 0.00 H new ATOM 1002 N ALA A 59 -4.096 12.215 4.110 1.00 0.00 N ATOM 1003 CA ALA A 59 -3.773 12.947 5.323 1.00 0.00 C ATOM 1004 C ALA A 59 -2.665 12.211 6.078 1.00 0.00 C ATOM 1005 O ALA A 59 -1.718 12.832 6.559 1.00 0.00 O ATOM 1006 CB ALA A 59 -5.038 13.121 6.167 1.00 0.00 C ATOM 0 H ALA A 59 -5.094 12.086 3.943 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.402 13.943 5.083 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.796 13.670 7.077 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.783 13.675 5.596 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.438 12.142 6.430 1.00 0.00 H new ATOM 1012 N LEU A 60 -2.820 10.897 6.160 1.00 0.00 N ATOM 1013 CA LEU A 60 -1.844 10.070 6.848 1.00 0.00 C ATOM 1014 C LEU A 60 -0.441 10.428 6.357 1.00 0.00 C ATOM 1015 O LEU A 60 0.391 10.898 7.131 1.00 0.00 O ATOM 1016 CB LEU A 60 -2.192 8.588 6.691 1.00 0.00 C ATOM 1017 CG LEU A 60 -2.854 7.922 7.899 1.00 0.00 C ATOM 1018 CD1 LEU A 60 -3.398 6.540 7.533 1.00 0.00 C ATOM 1019 CD2 LEU A 60 -1.893 7.864 9.088 1.00 0.00 C ATOM 0 H LEU A 60 -3.607 10.385 5.761 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.866 10.267 7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.856 8.480 5.833 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.277 8.043 6.457 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.705 8.532 8.202 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.863 6.088 8.409 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.138 6.639 6.739 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.580 5.906 7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.388 7.386 9.933 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.009 7.289 8.813 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.596 8.875 9.366 1.00 0.00 H new ATOM 1031 N ILE A 61 -0.220 10.192 5.072 1.00 0.00 N ATOM 1032 CA ILE A 61 1.069 10.484 4.467 1.00 0.00 C ATOM 1033 C ILE A 61 1.473 11.920 4.808 1.00 0.00 C ATOM 1034 O ILE A 61 2.632 12.183 5.128 1.00 0.00 O ATOM 1035 CB ILE A 61 1.034 10.196 2.965 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.059 8.690 2.696 1.00 0.00 C ATOM 1037 CG2 ILE A 61 2.165 10.927 2.240 1.00 0.00 C ATOM 1038 CD1 ILE A 61 0.876 8.396 1.205 1.00 0.00 C ATOM 0 H ILE A 61 -0.912 9.802 4.433 1.00 0.00 H new ATOM 0 HA ILE A 61 1.839 9.829 4.876 1.00 0.00 H new ATOM 0 HB ILE A 61 0.095 10.579 2.565 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.005 8.271 3.039 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.269 8.202 3.266 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.117 10.705 1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.060 12.001 2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.125 10.596 2.637 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.898 7.319 1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.082 8.795 0.870 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.682 8.865 0.640 1.00 0.00 H new ATOM 1050 N ASN A 62 0.496 12.811 4.729 1.00 0.00 N ATOM 1051 CA ASN A 62 0.736 14.213 5.026 1.00 0.00 C ATOM 1052 C ASN A 62 1.119 14.360 6.500 1.00 0.00 C ATOM 1053 O ASN A 62 1.884 15.253 6.860 1.00 0.00 O ATOM 1054 CB ASN A 62 -0.520 15.051 4.777 1.00 0.00 C ATOM 1055 CG ASN A 62 -0.561 15.563 3.336 1.00 0.00 C ATOM 1056 OD1 ASN A 62 0.081 16.537 2.977 1.00 0.00 O ATOM 1057 ND2 ASN A 62 -1.350 14.855 2.533 1.00 0.00 N ATOM 0 H ASN A 62 -0.464 12.589 4.464 1.00 0.00 H new ATOM 0 HA ASN A 62 1.538 14.563 4.376 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.407 14.451 4.979 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.541 15.894 5.467 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.446 15.117 1.552 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.859 14.050 2.898 1.00 0.00 H new ATOM 1064 N GLY A 63 0.568 13.470 7.313 1.00 0.00 N ATOM 1065 CA GLY A 63 0.842 13.490 8.739 1.00 0.00 C ATOM 1066 C GLY A 63 -0.400 13.902 9.531 1.00 0.00 C ATOM 1067 O GLY A 63 -0.299 14.294 10.692 1.00 0.00 O ATOM 0 H GLY A 63 -0.067 12.731 7.011 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.173 12.503 9.063 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.657 14.184 8.947 1.00 0.00 H new ATOM 1071 N HIS A 64 -1.544 13.800 8.870 1.00 0.00 N ATOM 1072 CA HIS A 64 -2.805 14.158 9.498 1.00 0.00 C ATOM 1073 C HIS A 64 -3.255 13.028 10.426 1.00 0.00 C ATOM 1074 O HIS A 64 -3.019 13.080 11.632 1.00 0.00 O ATOM 1075 CB HIS A 64 -3.856 14.512 8.443 1.00 0.00 C ATOM 1076 CG HIS A 64 -4.359 15.933 8.531 1.00 0.00 C ATOM 1077 ND1 HIS A 64 -3.824 16.965 7.780 1.00 0.00 N ATOM 1078 CD2 HIS A 64 -5.354 16.481 9.286 1.00 0.00 C ATOM 1079 CE1 HIS A 64 -4.474 18.080 8.080 1.00 0.00 C ATOM 1080 NE2 HIS A 64 -5.422 17.778 9.014 1.00 0.00 N ATOM 0 H HIS A 64 -1.624 13.475 7.907 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.671 15.051 10.108 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.431 14.348 7.453 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.701 13.831 8.544 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.981 15.949 9.987 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.286 19.057 7.659 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -6.075 18.440 9.434 1.00 0.00 H new ATOM 1088 N SER A 65 -3.895 12.034 9.829 1.00 0.00 N ATOM 1089 CA SER A 65 -4.379 10.893 10.587 1.00 0.00 C ATOM 1090 C SER A 65 -3.211 10.193 11.284 1.00 0.00 C ATOM 1091 O SER A 65 -2.053 10.553 11.075 1.00 0.00 O ATOM 1092 CB SER A 65 -5.127 9.909 9.685 1.00 0.00 C ATOM 1093 OG SER A 65 -6.532 9.930 9.920 1.00 0.00 O ATOM 0 H SER A 65 -4.090 11.995 8.829 1.00 0.00 H new ATOM 0 HA SER A 65 -5.078 11.256 11.341 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.931 10.153 8.641 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.746 8.902 9.854 1.00 0.00 H new ATOM 0 HG SER A 65 -6.933 9.102 9.581 1.00 0.00 H new ATOM 1099 N GLU A 66 -3.554 9.204 12.096 1.00 0.00 N ATOM 1100 CA GLU A 66 -2.548 8.450 12.824 1.00 0.00 C ATOM 1101 C GLU A 66 -2.671 6.958 12.509 1.00 0.00 C ATOM 1102 O GLU A 66 -3.681 6.517 11.962 1.00 0.00 O ATOM 1103 CB GLU A 66 -2.656 8.703 14.329 1.00 0.00 C ATOM 1104 CG GLU A 66 -1.897 9.970 14.729 1.00 0.00 C ATOM 1105 CD GLU A 66 -0.827 9.660 15.778 1.00 0.00 C ATOM 1106 OE1 GLU A 66 -0.850 10.238 16.875 1.00 0.00 O ATOM 1107 OE2 GLU A 66 0.049 8.784 15.421 1.00 0.00 O ATOM 0 H GLU A 66 -4.515 8.907 12.266 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.564 8.789 12.501 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.705 8.799 14.611 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.256 7.848 14.874 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.431 10.412 13.849 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.596 10.707 15.124 1.00 0.00 H new ATOM 1115 N THR A 67 -1.630 6.222 12.867 1.00 0.00 N ATOM 1116 CA THR A 67 -1.608 4.789 12.628 1.00 0.00 C ATOM 1117 C THR A 67 -1.407 4.033 13.943 1.00 0.00 C ATOM 1118 O THR A 67 -0.426 4.259 14.650 1.00 0.00 O ATOM 1119 CB THR A 67 -0.525 4.498 11.588 1.00 0.00 C ATOM 1120 OG1 THR A 67 -0.909 3.246 11.027 1.00 0.00 O ATOM 1121 CG2 THR A 67 0.838 4.219 12.225 1.00 0.00 C ATOM 0 H THR A 67 -0.795 6.591 13.321 1.00 0.00 H new ATOM 0 HA THR A 67 -2.561 4.440 12.230 1.00 0.00 H new ATOM 0 HB THR A 67 -0.441 5.344 10.906 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.906 3.311 10.049 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.571 4.019 11.443 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.153 5.087 12.804 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.762 3.353 12.882 1.00 0.00 H new ATOM 1129 N ASP A 68 -2.352 3.150 14.231 1.00 0.00 N ATOM 1130 CA ASP A 68 -2.291 2.359 15.449 1.00 0.00 C ATOM 1131 C ASP A 68 -1.508 1.073 15.177 1.00 0.00 C ATOM 1132 O ASP A 68 -1.833 0.017 15.719 1.00 0.00 O ATOM 1133 CB ASP A 68 -3.692 1.967 15.922 1.00 0.00 C ATOM 1134 CG ASP A 68 -3.930 2.110 17.427 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -3.003 2.412 18.194 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -5.143 1.895 17.810 1.00 0.00 O ATOM 0 H ASP A 68 -3.164 2.965 13.642 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.806 2.960 16.218 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.422 2.580 15.394 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.879 0.932 15.637 1.00 0.00 H new ATOM 1142 N LYS A 69 -0.490 1.204 14.339 1.00 0.00 N ATOM 1143 CA LYS A 69 0.343 0.065 13.989 1.00 0.00 C ATOM 1144 C LYS A 69 1.707 0.565 13.511 1.00 0.00 C ATOM 1145 O LYS A 69 1.790 1.339 12.559 1.00 0.00 O ATOM 1146 CB LYS A 69 -0.373 -0.831 12.977 1.00 0.00 C ATOM 1147 CG LYS A 69 -1.625 -1.462 13.592 1.00 0.00 C ATOM 1148 CD LYS A 69 -2.150 -2.602 12.717 1.00 0.00 C ATOM 1149 CE LYS A 69 -3.323 -3.315 13.393 1.00 0.00 C ATOM 1150 NZ LYS A 69 -3.018 -4.751 13.580 1.00 0.00 N ATOM 0 H LYS A 69 -0.223 2.081 13.892 1.00 0.00 H new ATOM 0 HA LYS A 69 0.521 -0.561 14.864 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.650 -0.246 12.100 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.304 -1.615 12.637 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.394 -1.840 14.588 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.399 -0.703 13.710 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.467 -2.208 11.751 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.349 -3.315 12.523 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.530 -2.852 14.358 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.222 -3.204 12.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.824 -5.220 14.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.843 -5.192 12.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.172 -4.851 14.177 1.00 0.00 H new ATOM 1163 N GLY A 70 2.744 0.101 14.194 1.00 0.00 N ATOM 1164 CA GLY A 70 4.101 0.491 13.851 1.00 0.00 C ATOM 1165 C GLY A 70 4.646 -0.368 12.708 1.00 0.00 C ATOM 1166 O GLY A 70 5.692 -0.059 12.139 1.00 0.00 O ATOM 0 H GLY A 70 2.671 -0.541 14.983 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.119 1.542 13.562 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.744 0.390 14.725 1.00 0.00 H new ATOM 1170 N HIS A 71 3.912 -1.429 12.406 1.00 0.00 N ATOM 1171 CA HIS A 71 4.309 -2.335 11.341 1.00 0.00 C ATOM 1172 C HIS A 71 4.084 -1.663 9.985 1.00 0.00 C ATOM 1173 O HIS A 71 4.446 -2.214 8.947 1.00 0.00 O ATOM 1174 CB HIS A 71 3.580 -3.674 11.468 1.00 0.00 C ATOM 1175 CG HIS A 71 4.389 -4.751 12.150 1.00 0.00 C ATOM 1176 ND1 HIS A 71 5.759 -4.870 11.997 1.00 0.00 N ATOM 1177 CD2 HIS A 71 4.007 -5.756 12.989 1.00 0.00 C ATOM 1178 CE1 HIS A 71 6.172 -5.904 12.715 1.00 0.00 C ATOM 1179 NE2 HIS A 71 5.085 -6.452 13.329 1.00 0.00 N ATOM 0 H HIS A 71 3.045 -1.682 12.880 1.00 0.00 H new ATOM 0 HA HIS A 71 5.373 -2.557 11.425 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.655 -3.521 12.024 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.300 -4.019 10.473 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.998 -5.952 13.321 1.00 0.00 H new ATOM 0 HE1 HIS A 71 7.191 -6.252 12.799 1.00 0.00 H new ATOM 0 HE2 HIS A 71 5.098 -7.263 13.948 1.00 0.00 H new ATOM 1187 N LEU A 72 3.486 -0.481 10.038 1.00 0.00 N ATOM 1188 CA LEU A 72 3.208 0.272 8.827 1.00 0.00 C ATOM 1189 C LEU A 72 4.228 1.404 8.690 1.00 0.00 C ATOM 1190 O LEU A 72 4.511 1.859 7.583 1.00 0.00 O ATOM 1191 CB LEU A 72 1.754 0.749 8.815 1.00 0.00 C ATOM 1192 CG LEU A 72 0.730 -0.206 9.430 1.00 0.00 C ATOM 1193 CD1 LEU A 72 -0.535 0.545 9.852 1.00 0.00 C ATOM 1194 CD2 LEU A 72 0.419 -1.364 8.480 1.00 0.00 C ATOM 0 H LEU A 72 3.187 -0.027 10.901 1.00 0.00 H new ATOM 0 HA LEU A 72 3.318 -0.364 7.949 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.700 1.699 9.346 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.465 0.944 7.782 1.00 0.00 H new ATOM 0 HG LEU A 72 1.165 -0.638 10.331 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.247 -0.157 10.286 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.278 1.305 10.590 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.982 1.023 8.980 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.312 -2.028 8.942 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.013 -0.971 7.548 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.333 -1.920 8.272 1.00 0.00 H new ATOM 1206 N ILE A 73 4.753 1.826 9.831 1.00 0.00 N ATOM 1207 CA ILE A 73 5.735 2.896 9.853 1.00 0.00 C ATOM 1208 C ILE A 73 6.712 2.709 8.690 1.00 0.00 C ATOM 1209 O ILE A 73 6.969 3.643 7.933 1.00 0.00 O ATOM 1210 CB ILE A 73 6.415 2.972 11.221 1.00 0.00 C ATOM 1211 CG1 ILE A 73 5.677 3.943 12.146 1.00 0.00 C ATOM 1212 CG2 ILE A 73 7.896 3.330 11.079 1.00 0.00 C ATOM 1213 CD1 ILE A 73 6.624 4.523 13.199 1.00 0.00 C ATOM 0 H ILE A 73 4.516 1.446 10.747 1.00 0.00 H new ATOM 0 HA ILE A 73 5.250 3.861 9.711 1.00 0.00 H new ATOM 0 HB ILE A 73 6.365 1.986 11.682 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.242 4.751 11.558 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.852 3.427 12.638 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.355 3.377 12.066 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.398 2.569 10.481 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.991 4.299 10.588 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.075 5.210 13.843 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.039 3.714 13.801 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.434 5.059 12.704 1.00 0.00 H new ATOM 1225 N PRO A 74 7.245 1.462 8.583 1.00 0.00 N ATOM 1226 CA PRO A 74 8.188 1.140 7.526 1.00 0.00 C ATOM 1227 C PRO A 74 7.474 0.988 6.181 1.00 0.00 C ATOM 1228 O PRO A 74 8.019 1.354 5.140 1.00 0.00 O ATOM 1229 CB PRO A 74 8.870 -0.140 7.983 1.00 0.00 C ATOM 1230 CG PRO A 74 7.964 -0.737 9.047 1.00 0.00 C ATOM 1231 CD PRO A 74 6.964 0.330 9.461 1.00 0.00 C ATOM 0 HA PRO A 74 8.921 1.930 7.362 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.003 -0.831 7.150 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.861 0.068 8.386 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.447 -1.615 8.659 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.549 -1.065 9.906 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.939 -0.020 9.340 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.086 0.602 10.509 1.00 0.00 H new ATOM 1239 N MET A 75 6.266 0.449 6.246 1.00 0.00 N ATOM 1240 CA MET A 75 5.472 0.245 5.047 1.00 0.00 C ATOM 1241 C MET A 75 4.997 1.580 4.469 1.00 0.00 C ATOM 1242 O MET A 75 4.716 1.680 3.276 1.00 0.00 O ATOM 1243 CB MET A 75 4.259 -0.627 5.379 1.00 0.00 C ATOM 1244 CG MET A 75 4.690 -1.927 6.061 1.00 0.00 C ATOM 1245 SD MET A 75 5.704 -2.891 4.953 1.00 0.00 S ATOM 1246 CE MET A 75 7.048 -3.312 6.050 1.00 0.00 C ATOM 0 H MET A 75 5.817 0.147 7.111 1.00 0.00 H new ATOM 0 HA MET A 75 6.095 -0.251 4.303 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.579 -0.078 6.031 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.710 -0.856 4.466 1.00 0.00 H new ATOM 0 HG2 MET A 75 5.245 -1.703 6.972 1.00 0.00 H new ATOM 0 HG3 MET A 75 3.812 -2.501 6.356 1.00 0.00 H new ATOM 0 HE1 MET A 75 7.525 -4.230 5.706 1.00 0.00 H new ATOM 0 HE2 MET A 75 7.779 -2.504 6.056 1.00 0.00 H new ATOM 0 HE3 MET A 75 6.662 -3.460 7.059 1.00 0.00 H new ATOM 1256 N LEU A 76 4.924 2.573 5.343 1.00 0.00 N ATOM 1257 CA LEU A 76 4.488 3.898 4.935 1.00 0.00 C ATOM 1258 C LEU A 76 5.614 4.583 4.158 1.00 0.00 C ATOM 1259 O LEU A 76 5.358 5.440 3.313 1.00 0.00 O ATOM 1260 CB LEU A 76 4.001 4.698 6.145 1.00 0.00 C ATOM 1261 CG LEU A 76 2.486 4.738 6.357 1.00 0.00 C ATOM 1262 CD1 LEU A 76 2.127 5.572 7.589 1.00 0.00 C ATOM 1263 CD2 LEU A 76 1.769 5.233 5.100 1.00 0.00 C ATOM 0 H LEU A 76 5.159 2.487 6.332 1.00 0.00 H new ATOM 0 HA LEU A 76 3.633 3.828 4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.462 4.282 7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.361 5.722 6.048 1.00 0.00 H new ATOM 0 HG LEU A 76 2.140 3.721 6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.045 5.584 7.717 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.592 5.135 8.473 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.488 6.592 7.456 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.694 5.252 5.278 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.114 6.238 4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.988 4.563 4.269 1.00 0.00 H new ATOM 1275 N GLU A 77 6.837 4.180 4.471 1.00 0.00 N ATOM 1276 CA GLU A 77 8.002 4.745 3.812 1.00 0.00 C ATOM 1277 C GLU A 77 8.118 4.206 2.385 1.00 0.00 C ATOM 1278 O GLU A 77 8.170 4.978 1.428 1.00 0.00 O ATOM 1279 CB GLU A 77 9.275 4.459 4.611 1.00 0.00 C ATOM 1280 CG GLU A 77 9.606 5.621 5.550 1.00 0.00 C ATOM 1281 CD GLU A 77 10.397 6.708 4.820 1.00 0.00 C ATOM 1282 OE1 GLU A 77 11.099 6.412 3.842 1.00 0.00 O ATOM 1283 OE2 GLU A 77 10.263 7.897 5.302 1.00 0.00 O ATOM 0 H GLU A 77 7.046 3.469 5.172 1.00 0.00 H new ATOM 0 HA GLU A 77 7.878 5.827 3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.148 3.544 5.190 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.107 4.291 3.928 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.684 6.044 5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.183 5.254 6.399 1.00 0.00 H new ATOM 1291 N LYS A 78 8.156 2.885 2.286 1.00 0.00 N ATOM 1292 CA LYS A 78 8.265 2.234 0.992 1.00 0.00 C ATOM 1293 C LYS A 78 7.090 2.663 0.110 1.00 0.00 C ATOM 1294 O LYS A 78 7.264 2.919 -1.081 1.00 0.00 O ATOM 1295 CB LYS A 78 8.384 0.719 1.162 1.00 0.00 C ATOM 1296 CG LYS A 78 7.406 0.208 2.222 1.00 0.00 C ATOM 1297 CD LYS A 78 7.038 -1.256 1.969 1.00 0.00 C ATOM 1298 CE LYS A 78 5.542 -1.403 1.680 1.00 0.00 C ATOM 1299 NZ LYS A 78 5.162 -2.833 1.631 1.00 0.00 N ATOM 0 H LYS A 78 8.113 2.248 3.081 1.00 0.00 H new ATOM 0 HA LYS A 78 9.177 2.547 0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.185 0.226 0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.404 0.460 1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.852 0.309 3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.504 0.820 2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.614 -1.639 1.127 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.305 -1.857 2.838 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.965 -0.893 2.451 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.300 -0.923 0.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.126 -2.916 1.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.581 -3.275 0.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.512 -3.315 2.484 1.00 0.00 H new ATOM 1312 N ILE A 79 5.920 2.729 0.728 1.00 0.00 N ATOM 1313 CA ILE A 79 4.717 3.122 0.014 1.00 0.00 C ATOM 1314 C ILE A 79 4.780 4.619 -0.296 1.00 0.00 C ATOM 1315 O ILE A 79 4.410 5.046 -1.388 1.00 0.00 O ATOM 1316 CB ILE A 79 3.470 2.708 0.797 1.00 0.00 C ATOM 1317 CG1 ILE A 79 3.454 1.198 1.045 1.00 0.00 C ATOM 1318 CG2 ILE A 79 2.198 3.187 0.094 1.00 0.00 C ATOM 1319 CD1 ILE A 79 2.523 0.843 2.206 1.00 0.00 C ATOM 0 H ILE A 79 5.779 2.517 1.716 1.00 0.00 H new ATOM 0 HA ILE A 79 4.653 2.600 -0.941 1.00 0.00 H new ATOM 0 HB ILE A 79 3.502 3.194 1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.129 0.681 0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.464 0.851 1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.326 2.880 0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.215 4.274 0.012 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.146 2.749 -0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.530 -0.236 2.361 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.865 1.342 3.113 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.510 1.169 1.973 1.00 0.00 H new ATOM 1331 N ARG A 80 5.252 5.375 0.685 1.00 0.00 N ATOM 1332 CA ARG A 80 5.368 6.815 0.531 1.00 0.00 C ATOM 1333 C ARG A 80 6.375 7.151 -0.571 1.00 0.00 C ATOM 1334 O ARG A 80 6.337 8.241 -1.140 1.00 0.00 O ATOM 1335 CB ARG A 80 5.812 7.475 1.837 1.00 0.00 C ATOM 1336 CG ARG A 80 6.267 8.916 1.597 1.00 0.00 C ATOM 1337 CD ARG A 80 6.467 9.655 2.921 1.00 0.00 C ATOM 1338 NE ARG A 80 7.117 10.963 2.677 1.00 0.00 N ATOM 1339 CZ ARG A 80 8.399 11.108 2.280 1.00 0.00 C ATOM 1340 NH1 ARG A 80 9.181 10.026 2.078 1.00 0.00 N ATOM 1341 NH2 ARG A 80 8.876 12.324 2.092 1.00 0.00 N ATOM 0 H ARG A 80 5.559 5.017 1.590 1.00 0.00 H new ATOM 0 HA ARG A 80 4.385 7.200 0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.989 7.464 2.552 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.627 6.902 2.280 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.199 8.918 1.031 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.526 9.439 0.993 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.506 9.803 3.413 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.080 9.055 3.593 1.00 0.00 H new ATOM 0 HE ARG A 80 6.561 11.807 2.818 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.804 9.090 2.225 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.149 10.145 1.778 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.278 13.136 2.247 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.842 12.452 1.792 1.00 0.00 H new ATOM 1354 N ARG A 81 7.253 6.195 -0.838 1.00 0.00 N ATOM 1355 CA ARG A 81 8.269 6.376 -1.861 1.00 0.00 C ATOM 1356 C ARG A 81 7.614 6.639 -3.219 1.00 0.00 C ATOM 1357 O ARG A 81 7.828 7.689 -3.823 1.00 0.00 O ATOM 1358 CB ARG A 81 9.170 5.145 -1.967 1.00 0.00 C ATOM 1359 CG ARG A 81 10.623 5.549 -2.222 1.00 0.00 C ATOM 1360 CD ARG A 81 11.236 4.711 -3.346 1.00 0.00 C ATOM 1361 NE ARG A 81 10.810 5.240 -4.661 1.00 0.00 N ATOM 1362 CZ ARG A 81 10.788 4.512 -5.798 1.00 0.00 C ATOM 1363 NH1 ARG A 81 11.168 3.217 -5.790 1.00 0.00 N ATOM 1364 NH2 ARG A 81 10.389 5.087 -6.918 1.00 0.00 N ATOM 0 H ARG A 81 7.282 5.293 -0.363 1.00 0.00 H new ATOM 0 HA ARG A 81 8.878 7.234 -1.575 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.107 4.563 -1.047 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.820 4.503 -2.775 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.670 6.606 -2.485 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.205 5.421 -1.309 1.00 0.00 H new ATOM 0 HD2 ARG A 81 12.323 4.729 -3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.927 3.671 -3.246 1.00 0.00 H new ATOM 0 HE ARG A 81 10.515 6.215 -4.711 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.475 2.781 -4.920 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.148 2.674 -6.653 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.104 6.066 -6.915 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.366 4.552 -7.786 1.00 0.00 H new ATOM 1377 N ALA A 82 6.828 5.667 -3.659 1.00 0.00 N ATOM 1378 CA ALA A 82 6.140 5.780 -4.934 1.00 0.00 C ATOM 1379 C ALA A 82 5.199 6.985 -4.895 1.00 0.00 C ATOM 1380 O ALA A 82 5.019 7.670 -5.901 1.00 0.00 O ATOM 1381 CB ALA A 82 5.403 4.473 -5.234 1.00 0.00 C ATOM 0 H ALA A 82 6.652 4.798 -3.155 1.00 0.00 H new ATOM 0 HA ALA A 82 6.853 5.945 -5.742 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.887 4.558 -6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.120 3.653 -5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.676 4.276 -4.446 1.00 0.00 H new TER 1387 ALA A 82