USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 592 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 77 LYS NZ :NH3+ -156:sc= 0.784 (180deg=0) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0.695 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.08 K(o=-1.1,f=-6.1!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00568 USER MOD Single : A 26 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.136) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 75:sc= 1.1 USER MOD Single : A 34 TYR OH : rot 180:sc= -2.17 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -109:sc= 0.0341 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.976 USER MOD Single : A 41 GLN : amide:sc= -0.0671 K(o=-0.067,f=-0.97) USER MOD Single : A 42 TYR OH : rot -95:sc= 0.799 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 3:sc= 0.357 USER MOD Single : A 47 LYS NZ :NH3+ -171:sc= 0.262 (180deg=0.236) USER MOD Single : A 52 ASN : amide:sc= -0.0345 X(o=-0.034,f=-0.1) USER MOD Single : A 54 SER OG : rot -131:sc= 1.24 USER MOD Single : A 55 ASN : amide:sc= -0.557 K(o=-0.56,f=-7.4!) USER MOD Single : A 58 SER OG : rot 170:sc= -0.278 USER MOD Single : A 67 HIS : no HD1:sc= -2.46 X(o=-2.5,f=-2.7) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -18:sc= 0.553 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 150:sc= -0.199 (180deg=-1.11) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.663 4.175 0.369 1.00 0.00 N ATOM 60 CA GLY A 7 -1.488 3.431 0.784 1.00 0.00 C ATOM 61 C GLY A 7 -1.806 2.386 1.835 1.00 0.00 C ATOM 62 O GLY A 7 -2.878 2.410 2.442 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.044 2.945 -0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.744 4.123 1.178 1.00 0.00 H new ATOM 66 N LEU A 8 -0.873 1.466 2.052 1.00 0.00 N ATOM 67 CA LEU A 8 -1.058 0.405 3.038 1.00 0.00 C ATOM 68 C LEU A 8 0.275 -0.006 3.652 1.00 0.00 C ATOM 69 O LEU A 8 1.237 -0.293 2.938 1.00 0.00 O ATOM 70 CB LEU A 8 -1.732 -0.806 2.391 1.00 0.00 C ATOM 71 CG LEU A 8 -3.259 -0.780 2.343 1.00 0.00 C ATOM 72 CD1 LEU A 8 -3.782 -1.846 1.393 1.00 0.00 C ATOM 73 CD2 LEU A 8 -3.840 -0.973 3.737 1.00 0.00 C ATOM 0 H LEU A 8 0.019 1.432 1.559 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.699 0.788 3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.358 -0.902 1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.421 -1.701 2.931 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.575 0.195 1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.871 -1.812 1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.394 -1.662 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.456 -2.829 1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.928 -0.952 3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.515 -1.934 4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.493 -0.172 4.390 1.00 0.00 H new ATOM 85 N ILE A 9 0.325 -0.035 4.980 1.00 0.00 N ATOM 86 CA ILE A 9 1.540 -0.415 5.690 1.00 0.00 C ATOM 87 C ILE A 9 1.521 -1.894 6.059 1.00 0.00 C ATOM 88 O ILE A 9 0.859 -2.297 7.016 1.00 0.00 O ATOM 89 CB ILE A 9 1.728 0.420 6.970 1.00 0.00 C ATOM 90 CG1 ILE A 9 1.531 1.907 6.669 1.00 0.00 C ATOM 91 CG2 ILE A 9 3.107 0.172 7.566 1.00 0.00 C ATOM 92 CD1 ILE A 9 2.703 2.538 5.950 1.00 0.00 C ATOM 0 H ILE A 9 -0.462 0.200 5.585 1.00 0.00 H new ATOM 0 HA ILE A 9 2.374 -0.222 5.015 1.00 0.00 H new ATOM 0 HB ILE A 9 0.978 0.114 7.699 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.634 2.031 6.063 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.360 2.439 7.605 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.225 0.769 8.470 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.212 -0.885 7.812 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.872 0.454 6.843 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.494 3.592 5.769 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.599 2.446 6.564 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.862 2.031 4.998 1.00 0.00 H new ATOM 104 N ALA A 10 2.252 -2.699 5.295 1.00 0.00 N ATOM 105 CA ALA A 10 2.322 -4.134 5.544 1.00 0.00 C ATOM 106 C ALA A 10 3.516 -4.479 6.430 1.00 0.00 C ATOM 107 O ALA A 10 4.659 -4.170 6.094 1.00 0.00 O ATOM 108 CB ALA A 10 2.401 -4.894 4.229 1.00 0.00 C ATOM 0 H ALA A 10 2.804 -2.382 4.498 1.00 0.00 H new ATOM 0 HA ALA A 10 1.415 -4.432 6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.453 -5.964 4.430 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.515 -4.679 3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.292 -4.584 3.682 1.00 0.00 H new ATOM 114 N CYS A 11 3.241 -5.120 7.560 1.00 0.00 N ATOM 115 CA CYS A 11 4.292 -5.507 8.494 1.00 0.00 C ATOM 116 C CYS A 11 4.600 -6.997 8.380 1.00 0.00 C ATOM 117 O CYS A 11 3.813 -7.840 8.810 1.00 0.00 O ATOM 118 CB CYS A 11 3.878 -5.168 9.927 1.00 0.00 C ATOM 119 SG CYS A 11 5.252 -4.676 10.995 1.00 0.00 S ATOM 0 H CYS A 11 2.300 -5.383 7.852 1.00 0.00 H new ATOM 0 HA CYS A 11 5.193 -4.948 8.241 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.145 -4.362 9.901 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.383 -6.034 10.366 1.00 0.00 H new ATOM 0 HG CYS A 11 4.802 -4.407 12.185 1.00 0.00 H new ATOM 125 N VAL A 12 5.751 -7.313 7.795 1.00 0.00 N ATOM 126 CA VAL A 12 6.164 -8.701 7.622 1.00 0.00 C ATOM 127 C VAL A 12 7.161 -9.115 8.699 1.00 0.00 C ATOM 128 O VAL A 12 7.940 -8.296 9.186 1.00 0.00 O ATOM 129 CB VAL A 12 6.797 -8.931 6.237 1.00 0.00 C ATOM 130 CG1 VAL A 12 6.596 -10.370 5.791 1.00 0.00 C ATOM 131 CG2 VAL A 12 6.214 -7.962 5.219 1.00 0.00 C ATOM 0 H VAL A 12 6.414 -6.627 7.433 1.00 0.00 H new ATOM 0 HA VAL A 12 5.265 -9.312 7.708 1.00 0.00 H new ATOM 0 HB VAL A 12 7.869 -8.745 6.310 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.050 -10.514 4.810 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.064 -11.042 6.510 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.529 -10.587 5.733 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.672 -8.138 4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.137 -8.115 5.146 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.415 -6.938 5.535 1.00 0.00 H new ATOM 141 N ALA A 13 7.130 -10.392 9.066 1.00 0.00 N ATOM 142 CA ALA A 13 8.033 -10.916 10.084 1.00 0.00 C ATOM 143 C ALA A 13 9.227 -11.621 9.448 1.00 0.00 C ATOM 144 O ALA A 13 10.307 -11.681 10.034 1.00 0.00 O ATOM 145 CB ALA A 13 7.289 -11.866 11.010 1.00 0.00 C ATOM 0 H ALA A 13 6.490 -11.083 8.674 1.00 0.00 H new ATOM 0 HA ALA A 13 8.409 -10.076 10.668 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.975 -12.250 11.765 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.473 -11.333 11.498 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.885 -12.697 10.431 1.00 0.00 H new ATOM 151 N ASN A 14 9.024 -12.152 8.247 1.00 0.00 N ATOM 152 CA ASN A 14 10.084 -12.853 7.533 1.00 0.00 C ATOM 153 C ASN A 14 11.130 -11.872 7.012 1.00 0.00 C ATOM 154 O ASN A 14 10.892 -11.153 6.041 1.00 0.00 O ATOM 155 CB ASN A 14 9.499 -13.657 6.370 1.00 0.00 C ATOM 156 CG ASN A 14 8.934 -14.991 6.817 1.00 0.00 C ATOM 157 OD1 ASN A 14 9.286 -15.503 7.880 1.00 0.00 O ATOM 158 ND2 ASN A 14 8.053 -15.563 6.004 1.00 0.00 N ATOM 0 H ASN A 14 8.135 -12.110 7.748 1.00 0.00 H new ATOM 0 HA ASN A 14 10.568 -13.536 8.231 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.713 -13.075 5.889 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.274 -13.826 5.622 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.640 -16.462 6.251 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.790 -15.103 5.132 1.00 0.00 H new ATOM 165 N ASP A 15 12.288 -11.849 7.662 1.00 0.00 N ATOM 166 CA ASP A 15 13.371 -10.958 7.264 1.00 0.00 C ATOM 167 C ASP A 15 13.851 -11.283 5.853 1.00 0.00 C ATOM 168 O ASP A 15 14.515 -10.470 5.210 1.00 0.00 O ATOM 169 CB ASP A 15 14.536 -11.065 8.250 1.00 0.00 C ATOM 170 CG ASP A 15 15.237 -9.738 8.464 1.00 0.00 C ATOM 171 OD1 ASP A 15 15.581 -9.079 7.460 1.00 0.00 O ATOM 172 OD2 ASP A 15 15.440 -9.357 9.636 1.00 0.00 O ATOM 0 H ASP A 15 12.501 -12.438 8.467 1.00 0.00 H new ATOM 0 HA ASP A 15 12.990 -9.937 7.273 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.166 -11.436 9.206 1.00 0.00 H new ATOM 0 HB3 ASP A 15 15.255 -11.797 7.881 1.00 0.00 H new ATOM 177 N ASP A 16 13.512 -12.477 5.379 1.00 0.00 N ATOM 178 CA ASP A 16 13.909 -12.909 4.044 1.00 0.00 C ATOM 179 C ASP A 16 13.120 -12.162 2.974 1.00 0.00 C ATOM 180 O ASP A 16 13.514 -12.125 1.809 1.00 0.00 O ATOM 181 CB ASP A 16 13.699 -14.417 3.890 1.00 0.00 C ATOM 182 CG ASP A 16 14.556 -15.221 4.848 1.00 0.00 C ATOM 183 OD1 ASP A 16 15.764 -15.380 4.574 1.00 0.00 O ATOM 184 OD2 ASP A 16 14.019 -15.691 5.873 1.00 0.00 O ATOM 0 H ASP A 16 12.964 -13.162 5.899 1.00 0.00 H new ATOM 0 HA ASP A 16 14.967 -12.681 3.915 1.00 0.00 H new ATOM 0 HB2 ASP A 16 12.649 -14.654 4.060 1.00 0.00 H new ATOM 0 HB3 ASP A 16 13.930 -14.711 2.866 1.00 0.00 H new ATOM 189 N VAL A 17 12.001 -11.569 3.377 1.00 0.00 N ATOM 190 CA VAL A 17 11.155 -10.822 2.453 1.00 0.00 C ATOM 191 C VAL A 17 11.841 -9.541 1.993 1.00 0.00 C ATOM 192 O VAL A 17 11.457 -8.946 0.986 1.00 0.00 O ATOM 193 CB VAL A 17 9.801 -10.465 3.096 1.00 0.00 C ATOM 194 CG1 VAL A 17 9.104 -9.372 2.298 1.00 0.00 C ATOM 195 CG2 VAL A 17 8.921 -11.701 3.205 1.00 0.00 C ATOM 0 H VAL A 17 11.659 -11.591 4.338 1.00 0.00 H new ATOM 0 HA VAL A 17 10.981 -11.466 1.591 1.00 0.00 H new ATOM 0 HB VAL A 17 9.983 -10.088 4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.149 -9.132 2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.731 -8.481 2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.931 -9.719 1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.969 -11.431 3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.744 -12.110 2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.419 -12.449 3.822 1.00 0.00 H new ATOM 205 N PHE A 18 12.858 -9.121 2.737 1.00 0.00 N ATOM 206 CA PHE A 18 13.598 -7.909 2.407 1.00 0.00 C ATOM 207 C PHE A 18 14.864 -8.242 1.621 1.00 0.00 C ATOM 208 O PHE A 18 15.942 -7.724 1.910 1.00 0.00 O ATOM 209 CB PHE A 18 13.963 -7.145 3.682 1.00 0.00 C ATOM 210 CG PHE A 18 12.771 -6.756 4.508 1.00 0.00 C ATOM 211 CD1 PHE A 18 12.044 -7.716 5.194 1.00 0.00 C ATOM 212 CD2 PHE A 18 12.378 -5.431 4.601 1.00 0.00 C ATOM 213 CE1 PHE A 18 10.947 -7.361 5.955 1.00 0.00 C ATOM 214 CE2 PHE A 18 11.281 -5.069 5.361 1.00 0.00 C ATOM 215 CZ PHE A 18 10.565 -6.036 6.040 1.00 0.00 C ATOM 0 H PHE A 18 13.189 -9.602 3.573 1.00 0.00 H new ATOM 0 HA PHE A 18 12.959 -7.281 1.786 1.00 0.00 H new ATOM 0 HB2 PHE A 18 14.629 -7.760 4.287 1.00 0.00 H new ATOM 0 HB3 PHE A 18 14.517 -6.246 3.412 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.338 -8.753 5.133 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.935 -4.671 4.073 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.388 -8.119 6.483 1.00 0.00 H new ATOM 0 HE2 PHE A 18 10.984 -4.032 5.424 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.709 -5.757 6.636 1.00 0.00 H new ATOM 262 N GLU A 22 14.099 -13.869 -3.903 1.00 0.00 N ATOM 263 CA GLU A 22 12.810 -14.205 -4.497 1.00 0.00 C ATOM 264 C GLU A 22 11.685 -14.053 -3.478 1.00 0.00 C ATOM 265 O GLU A 22 10.601 -13.566 -3.800 1.00 0.00 O ATOM 266 CB GLU A 22 12.832 -15.635 -5.040 1.00 0.00 C ATOM 267 CG GLU A 22 12.316 -15.753 -6.465 1.00 0.00 C ATOM 268 CD GLU A 22 12.614 -17.105 -7.083 1.00 0.00 C ATOM 269 OE1 GLU A 22 13.741 -17.608 -6.896 1.00 0.00 O ATOM 270 OE2 GLU A 22 11.718 -17.661 -7.753 1.00 0.00 O ATOM 0 HA GLU A 22 12.626 -13.514 -5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.853 -16.014 -5.000 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.230 -16.271 -4.391 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.239 -15.584 -6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.766 -14.971 -7.076 1.00 0.00 H new ATOM 277 N THR A 23 11.950 -14.474 -2.245 1.00 0.00 N ATOM 278 CA THR A 23 10.961 -14.388 -1.178 1.00 0.00 C ATOM 279 C THR A 23 10.166 -13.091 -1.270 1.00 0.00 C ATOM 280 O THR A 23 8.985 -13.050 -0.923 1.00 0.00 O ATOM 281 CB THR A 23 11.623 -14.472 0.210 1.00 0.00 C ATOM 282 OG1 THR A 23 12.506 -15.598 0.263 1.00 0.00 O ATOM 283 CG2 THR A 23 10.573 -14.593 1.303 1.00 0.00 C ATOM 0 H THR A 23 12.842 -14.878 -1.961 1.00 0.00 H new ATOM 0 HA THR A 23 10.287 -15.235 -1.303 1.00 0.00 H new ATOM 0 HB THR A 23 12.191 -13.557 0.374 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.925 -15.644 1.148 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.064 -14.651 2.274 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.920 -13.721 1.278 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.982 -15.494 1.141 1.00 0.00 H new ATOM 291 N ARG A 24 10.818 -12.034 -1.742 1.00 0.00 N ATOM 292 CA ARG A 24 10.171 -10.735 -1.880 1.00 0.00 C ATOM 293 C ARG A 24 9.006 -10.809 -2.862 1.00 0.00 C ATOM 294 O ARG A 24 7.863 -10.518 -2.510 1.00 0.00 O ATOM 295 CB ARG A 24 11.180 -9.685 -2.347 1.00 0.00 C ATOM 296 CG ARG A 24 10.557 -8.330 -2.644 1.00 0.00 C ATOM 297 CD ARG A 24 11.572 -7.369 -3.242 1.00 0.00 C ATOM 298 NE ARG A 24 11.053 -6.006 -3.323 1.00 0.00 N ATOM 299 CZ ARG A 24 11.607 -5.051 -4.062 1.00 0.00 C ATOM 300 NH1 ARG A 24 12.693 -5.309 -4.778 1.00 0.00 N ATOM 301 NH2 ARG A 24 11.077 -3.836 -4.084 1.00 0.00 N ATOM 0 H ARG A 24 11.795 -12.052 -2.036 1.00 0.00 H new ATOM 0 HA ARG A 24 9.783 -10.446 -0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.946 -9.563 -1.581 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.682 -10.049 -3.244 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.723 -8.455 -3.334 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.150 -7.906 -1.726 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.479 -7.376 -2.637 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.851 -7.711 -4.239 1.00 0.00 H new ATOM 0 HE ARG A 24 10.219 -5.775 -2.783 1.00 0.00 H new ATOM 0 HH11 ARG A 24 13.105 -6.242 -4.762 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.117 -4.574 -5.345 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.243 -3.633 -3.533 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.503 -3.104 -4.652 1.00 0.00 H new ATOM 315 N ALA A 25 9.304 -11.200 -4.097 1.00 0.00 N ATOM 316 CA ALA A 25 8.282 -11.315 -5.130 1.00 0.00 C ATOM 317 C ALA A 25 6.959 -11.795 -4.544 1.00 0.00 C ATOM 318 O ALA A 25 5.946 -11.099 -4.617 1.00 0.00 O ATOM 319 CB ALA A 25 8.747 -12.258 -6.230 1.00 0.00 C ATOM 0 H ALA A 25 10.245 -11.442 -4.406 1.00 0.00 H new ATOM 0 HA ALA A 25 8.121 -10.326 -5.558 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.974 -12.334 -6.995 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.663 -11.872 -6.677 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.938 -13.244 -5.807 1.00 0.00 H new ATOM 325 N LYS A 26 6.975 -12.989 -3.960 1.00 0.00 N ATOM 326 CA LYS A 26 5.777 -13.563 -3.359 1.00 0.00 C ATOM 327 C LYS A 26 4.963 -12.492 -2.640 1.00 0.00 C ATOM 328 O LYS A 26 3.745 -12.414 -2.798 1.00 0.00 O ATOM 329 CB LYS A 26 6.156 -14.676 -2.380 1.00 0.00 C ATOM 330 CG LYS A 26 6.861 -15.850 -3.037 1.00 0.00 C ATOM 331 CD LYS A 26 8.319 -15.930 -2.617 1.00 0.00 C ATOM 332 CE LYS A 26 9.138 -16.752 -3.600 1.00 0.00 C ATOM 333 NZ LYS A 26 10.247 -17.482 -2.925 1.00 0.00 N ATOM 0 H LYS A 26 7.805 -13.578 -3.890 1.00 0.00 H new ATOM 0 HA LYS A 26 5.165 -13.984 -4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.802 -14.263 -1.605 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.254 -15.036 -1.885 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.353 -16.777 -2.770 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.798 -15.753 -4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.734 -14.925 -2.547 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.389 -16.373 -1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.488 -17.466 -4.106 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.549 -16.096 -4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.674 -18.157 -3.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.969 -16.803 -2.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.874 -17.996 -2.102 1.00 0.00 H new ATOM 347 N PHE A 27 5.644 -11.669 -1.849 1.00 0.00 N ATOM 348 CA PHE A 27 4.984 -10.604 -1.105 1.00 0.00 C ATOM 349 C PHE A 27 4.355 -9.587 -2.053 1.00 0.00 C ATOM 350 O PHE A 27 3.244 -9.111 -1.820 1.00 0.00 O ATOM 351 CB PHE A 27 5.983 -9.904 -0.180 1.00 0.00 C ATOM 352 CG PHE A 27 5.439 -8.657 0.457 1.00 0.00 C ATOM 353 CD1 PHE A 27 5.381 -7.469 -0.255 1.00 0.00 C ATOM 354 CD2 PHE A 27 4.986 -8.672 1.765 1.00 0.00 C ATOM 355 CE1 PHE A 27 4.882 -6.320 0.328 1.00 0.00 C ATOM 356 CE2 PHE A 27 4.486 -7.526 2.353 1.00 0.00 C ATOM 357 CZ PHE A 27 4.432 -6.349 1.633 1.00 0.00 C ATOM 0 H PHE A 27 6.653 -11.720 -1.707 1.00 0.00 H new ATOM 0 HA PHE A 27 4.193 -11.052 -0.503 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.289 -10.598 0.603 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.877 -9.651 -0.749 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.730 -7.441 -1.277 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.024 -9.590 2.332 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.844 -5.400 -0.237 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.138 -7.551 3.375 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.039 -5.453 2.090 1.00 0.00 H new ATOM 367 N GLU A 28 5.073 -9.260 -3.122 1.00 0.00 N ATOM 368 CA GLU A 28 4.586 -8.300 -4.105 1.00 0.00 C ATOM 369 C GLU A 28 3.426 -8.883 -4.907 1.00 0.00 C ATOM 370 O GLU A 28 2.313 -8.357 -4.881 1.00 0.00 O ATOM 371 CB GLU A 28 5.715 -7.885 -5.050 1.00 0.00 C ATOM 372 CG GLU A 28 6.233 -6.478 -4.800 1.00 0.00 C ATOM 373 CD GLU A 28 7.161 -5.994 -5.897 1.00 0.00 C ATOM 374 OE1 GLU A 28 6.738 -5.991 -7.072 1.00 0.00 O ATOM 375 OE2 GLU A 28 8.309 -5.619 -5.580 1.00 0.00 O ATOM 0 H GLU A 28 5.994 -9.646 -3.330 1.00 0.00 H new ATOM 0 HA GLU A 28 4.229 -7.421 -3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.540 -8.590 -4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.361 -7.955 -6.078 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.389 -5.794 -4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.760 -6.453 -3.846 1.00 0.00 H new ATOM 382 N SER A 29 3.695 -9.973 -5.619 1.00 0.00 N ATOM 383 CA SER A 29 2.676 -10.626 -6.432 1.00 0.00 C ATOM 384 C SER A 29 1.311 -10.553 -5.754 1.00 0.00 C ATOM 385 O SER A 29 0.284 -10.399 -6.416 1.00 0.00 O ATOM 386 CB SER A 29 3.055 -12.086 -6.686 1.00 0.00 C ATOM 387 OG SER A 29 2.022 -12.769 -7.376 1.00 0.00 O ATOM 0 H SER A 29 4.610 -10.422 -5.649 1.00 0.00 H new ATOM 0 HA SER A 29 2.617 -10.102 -7.386 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.976 -12.130 -7.268 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.253 -12.584 -5.737 1.00 0.00 H new ATOM 0 HG SER A 29 2.289 -13.700 -7.527 1.00 0.00 H new ATOM 393 N LEU A 30 1.309 -10.666 -4.431 1.00 0.00 N ATOM 394 CA LEU A 30 0.071 -10.613 -3.661 1.00 0.00 C ATOM 395 C LEU A 30 -0.702 -9.331 -3.959 1.00 0.00 C ATOM 396 O LEU A 30 -1.868 -9.374 -4.352 1.00 0.00 O ATOM 397 CB LEU A 30 0.373 -10.703 -2.164 1.00 0.00 C ATOM 398 CG LEU A 30 0.801 -12.078 -1.647 1.00 0.00 C ATOM 399 CD1 LEU A 30 1.430 -11.957 -0.269 1.00 0.00 C ATOM 400 CD2 LEU A 30 -0.387 -13.027 -1.612 1.00 0.00 C ATOM 0 H LEU A 30 2.150 -10.795 -3.869 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.545 -11.463 -3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.161 -9.987 -1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.515 -10.391 -1.615 1.00 0.00 H new ATOM 0 HG LEU A 30 1.547 -12.486 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.728 -12.945 0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.307 -11.312 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.707 -11.528 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.064 -14.000 -1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.155 -12.624 -0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.794 -13.138 -2.617 1.00 0.00 H new ATOM 412 N PHE A 31 -0.043 -8.193 -3.770 1.00 0.00 N ATOM 413 CA PHE A 31 -0.667 -6.898 -4.020 1.00 0.00 C ATOM 414 C PHE A 31 -0.713 -6.596 -5.514 1.00 0.00 C ATOM 415 O PHE A 31 -1.782 -6.363 -6.079 1.00 0.00 O ATOM 416 CB PHE A 31 0.095 -5.792 -3.288 1.00 0.00 C ATOM 417 CG PHE A 31 0.419 -6.130 -1.860 1.00 0.00 C ATOM 418 CD1 PHE A 31 1.525 -6.906 -1.553 1.00 0.00 C ATOM 419 CD2 PHE A 31 -0.381 -5.672 -0.827 1.00 0.00 C ATOM 420 CE1 PHE A 31 1.825 -7.219 -0.241 1.00 0.00 C ATOM 421 CE2 PHE A 31 -0.086 -5.982 0.487 1.00 0.00 C ATOM 422 CZ PHE A 31 1.020 -6.756 0.781 1.00 0.00 C ATOM 0 H PHE A 31 0.922 -8.141 -3.445 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.689 -6.936 -3.644 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.022 -5.585 -3.823 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.497 -4.877 -3.311 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.159 -7.270 -2.348 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.246 -5.065 -1.051 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.689 -7.826 -0.015 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.719 -5.620 1.283 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.254 -6.998 1.807 1.00 0.00 H new ATOM 432 N ARG A 32 0.454 -6.601 -6.149 1.00 0.00 N ATOM 433 CA ARG A 32 0.548 -6.326 -7.578 1.00 0.00 C ATOM 434 C ARG A 32 -0.595 -6.994 -8.337 1.00 0.00 C ATOM 435 O ARG A 32 -1.257 -6.366 -9.165 1.00 0.00 O ATOM 436 CB ARG A 32 1.891 -6.813 -8.126 1.00 0.00 C ATOM 437 CG ARG A 32 2.503 -5.878 -9.156 1.00 0.00 C ATOM 438 CD ARG A 32 2.075 -6.249 -10.568 1.00 0.00 C ATOM 439 NE ARG A 32 2.898 -5.592 -11.580 1.00 0.00 N ATOM 440 CZ ARG A 32 2.884 -5.921 -12.867 1.00 0.00 C ATOM 441 NH1 ARG A 32 2.093 -6.894 -13.296 1.00 0.00 N ATOM 442 NH2 ARG A 32 3.662 -5.276 -13.727 1.00 0.00 N ATOM 0 H ARG A 32 1.348 -6.792 -5.697 1.00 0.00 H new ATOM 0 HA ARG A 32 0.475 -5.248 -7.720 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.589 -6.935 -7.298 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.755 -7.797 -8.576 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.204 -4.852 -8.941 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.590 -5.915 -9.082 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.139 -7.330 -10.694 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.031 -5.973 -10.715 1.00 0.00 H new ATOM 0 HE ARG A 32 3.518 -4.839 -11.282 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.494 -7.392 -12.638 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.084 -7.145 -14.285 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.272 -4.527 -13.400 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.650 -5.530 -14.715 1.00 0.00 H new ATOM 456 N THR A 33 -0.822 -8.271 -8.050 1.00 0.00 N ATOM 457 CA THR A 33 -1.883 -9.026 -8.705 1.00 0.00 C ATOM 458 C THR A 33 -3.132 -8.171 -8.889 1.00 0.00 C ATOM 459 O THR A 33 -3.765 -8.197 -9.944 1.00 0.00 O ATOM 460 CB THR A 33 -2.253 -10.289 -7.905 1.00 0.00 C ATOM 461 OG1 THR A 33 -1.258 -11.300 -8.099 1.00 0.00 O ATOM 462 CG2 THR A 33 -3.614 -10.820 -8.328 1.00 0.00 C ATOM 0 H THR A 33 -0.285 -8.805 -7.367 1.00 0.00 H new ATOM 0 HA THR A 33 -1.501 -9.324 -9.682 1.00 0.00 H new ATOM 0 HB THR A 33 -2.299 -10.023 -6.849 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.457 -11.074 -7.582 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.853 -11.712 -7.749 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.373 -10.058 -8.150 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.593 -11.071 -9.389 1.00 0.00 H new ATOM 470 N TYR A 34 -3.482 -7.412 -7.855 1.00 0.00 N ATOM 471 CA TYR A 34 -4.657 -6.551 -7.902 1.00 0.00 C ATOM 472 C TYR A 34 -4.444 -5.393 -8.873 1.00 0.00 C ATOM 473 O TYR A 34 -5.049 -5.346 -9.944 1.00 0.00 O ATOM 474 CB TYR A 34 -4.974 -6.009 -6.507 1.00 0.00 C ATOM 475 CG TYR A 34 -4.886 -7.055 -5.418 1.00 0.00 C ATOM 476 CD1 TYR A 34 -5.625 -8.229 -5.493 1.00 0.00 C ATOM 477 CD2 TYR A 34 -4.062 -6.868 -4.315 1.00 0.00 C ATOM 478 CE1 TYR A 34 -5.548 -9.185 -4.499 1.00 0.00 C ATOM 479 CE2 TYR A 34 -3.977 -7.821 -3.317 1.00 0.00 C ATOM 480 CZ TYR A 34 -4.723 -8.978 -3.414 1.00 0.00 C ATOM 481 OH TYR A 34 -4.641 -9.929 -2.424 1.00 0.00 O ATOM 0 H TYR A 34 -2.968 -7.376 -6.975 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.499 -7.147 -8.253 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.284 -5.197 -6.276 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.978 -5.584 -6.511 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.270 -8.397 -6.343 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.478 -5.963 -4.236 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.132 -10.091 -4.571 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.331 -7.661 -2.467 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.015 -9.628 -1.733 1.00 0.00 H new ATOM 491 N ASP A 35 -3.580 -4.459 -8.490 1.00 0.00 N ATOM 492 CA ASP A 35 -3.285 -3.301 -9.325 1.00 0.00 C ATOM 493 C ASP A 35 -1.888 -3.410 -9.929 1.00 0.00 C ATOM 494 O ASP A 35 -0.974 -3.957 -9.314 1.00 0.00 O ATOM 495 CB ASP A 35 -3.402 -2.013 -8.508 1.00 0.00 C ATOM 496 CG ASP A 35 -4.200 -0.942 -9.228 1.00 0.00 C ATOM 497 OD1 ASP A 35 -5.443 -0.947 -9.105 1.00 0.00 O ATOM 498 OD2 ASP A 35 -3.580 -0.101 -9.910 1.00 0.00 O ATOM 0 H ASP A 35 -3.072 -4.482 -7.606 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.012 -3.274 -10.137 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.876 -2.234 -7.552 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.404 -1.633 -8.289 1.00 0.00 H new ATOM 503 N LYS A 36 -1.731 -2.884 -11.140 1.00 0.00 N ATOM 504 CA LYS A 36 -0.447 -2.920 -11.829 1.00 0.00 C ATOM 505 C LYS A 36 0.356 -1.654 -11.551 1.00 0.00 C ATOM 506 O LYS A 36 1.585 -1.657 -11.628 1.00 0.00 O ATOM 507 CB LYS A 36 -0.658 -3.082 -13.337 1.00 0.00 C ATOM 508 CG LYS A 36 -1.232 -4.433 -13.729 1.00 0.00 C ATOM 509 CD LYS A 36 -0.376 -5.117 -14.782 1.00 0.00 C ATOM 510 CE LYS A 36 -0.934 -4.899 -16.180 1.00 0.00 C ATOM 511 NZ LYS A 36 -0.404 -3.653 -16.802 1.00 0.00 N ATOM 0 H LYS A 36 -2.478 -2.428 -11.664 1.00 0.00 H new ATOM 0 HA LYS A 36 0.115 -3.775 -11.453 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.327 -2.297 -13.688 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.295 -2.940 -13.846 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.303 -5.069 -12.847 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.245 -4.303 -14.110 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.642 -4.732 -14.731 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.324 -6.185 -14.572 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.683 -5.754 -16.808 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.022 -4.847 -16.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.808 -3.541 -17.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.665 -2.834 -16.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.632 -3.713 -16.871 1.00 0.00 H new ATOM 525 N ASP A 37 -0.345 -0.573 -11.226 1.00 0.00 N ATOM 526 CA ASP A 37 0.303 0.700 -10.933 1.00 0.00 C ATOM 527 C ASP A 37 0.544 0.854 -9.435 1.00 0.00 C ATOM 528 O ASP A 37 0.551 1.967 -8.907 1.00 0.00 O ATOM 529 CB ASP A 37 -0.549 1.861 -11.448 1.00 0.00 C ATOM 530 CG ASP A 37 -0.058 2.395 -12.778 1.00 0.00 C ATOM 531 OD1 ASP A 37 0.674 1.664 -13.477 1.00 0.00 O ATOM 532 OD2 ASP A 37 -0.404 3.545 -13.120 1.00 0.00 O ATOM 0 H ASP A 37 -1.363 -0.553 -11.159 1.00 0.00 H new ATOM 0 HA ASP A 37 1.267 0.715 -11.441 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.583 1.531 -11.552 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.544 2.666 -10.713 1.00 0.00 H new ATOM 537 N THR A 38 0.743 -0.270 -8.753 1.00 0.00 N ATOM 538 CA THR A 38 0.982 -0.260 -7.315 1.00 0.00 C ATOM 539 C THR A 38 2.473 -0.176 -7.007 1.00 0.00 C ATOM 540 O THR A 38 3.262 -0.993 -7.481 1.00 0.00 O ATOM 541 CB THR A 38 0.398 -1.515 -6.640 1.00 0.00 C ATOM 542 OG1 THR A 38 0.242 -2.562 -7.603 1.00 0.00 O ATOM 543 CG2 THR A 38 -0.944 -1.208 -5.995 1.00 0.00 C ATOM 0 H THR A 38 0.743 -1.199 -9.174 1.00 0.00 H new ATOM 0 HA THR A 38 0.482 0.623 -6.917 1.00 0.00 H new ATOM 0 HB THR A 38 1.091 -1.838 -5.863 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.711 -2.706 -7.778 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.336 -2.110 -5.525 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.816 -0.432 -5.241 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.643 -0.862 -6.756 1.00 0.00 H new ATOM 551 N THR A 39 2.853 0.816 -6.208 1.00 0.00 N ATOM 552 CA THR A 39 4.249 1.006 -5.837 1.00 0.00 C ATOM 553 C THR A 39 4.529 0.447 -4.446 1.00 0.00 C ATOM 554 O THR A 39 3.772 0.687 -3.506 1.00 0.00 O ATOM 555 CB THR A 39 4.641 2.495 -5.869 1.00 0.00 C ATOM 556 OG1 THR A 39 3.797 3.243 -4.986 1.00 0.00 O ATOM 557 CG2 THR A 39 4.531 3.054 -7.279 1.00 0.00 C ATOM 0 H THR A 39 2.213 1.500 -5.805 1.00 0.00 H new ATOM 0 HA THR A 39 4.848 0.465 -6.570 1.00 0.00 H new ATOM 0 HB THR A 39 5.677 2.582 -5.541 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.054 4.188 -5.011 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.813 4.107 -7.276 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.197 2.502 -7.942 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.504 2.954 -7.631 1.00 0.00 H new ATOM 565 N PHE A 40 5.623 -0.297 -4.322 1.00 0.00 N ATOM 566 CA PHE A 40 6.003 -0.890 -3.044 1.00 0.00 C ATOM 567 C PHE A 40 7.234 -0.198 -2.469 1.00 0.00 C ATOM 568 O PHE A 40 8.158 0.157 -3.201 1.00 0.00 O ATOM 569 CB PHE A 40 6.276 -2.386 -3.214 1.00 0.00 C ATOM 570 CG PHE A 40 5.137 -3.136 -3.842 1.00 0.00 C ATOM 571 CD1 PHE A 40 4.727 -2.847 -5.133 1.00 0.00 C ATOM 572 CD2 PHE A 40 4.475 -4.132 -3.140 1.00 0.00 C ATOM 573 CE1 PHE A 40 3.678 -3.535 -5.713 1.00 0.00 C ATOM 574 CE2 PHE A 40 3.427 -4.825 -3.715 1.00 0.00 C ATOM 575 CZ PHE A 40 3.028 -4.526 -5.004 1.00 0.00 C ATOM 0 H PHE A 40 6.262 -0.504 -5.090 1.00 0.00 H new ATOM 0 HA PHE A 40 5.175 -0.756 -2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.168 -2.517 -3.826 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.493 -2.821 -2.238 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.233 -2.075 -5.693 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.782 -4.369 -2.132 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.367 -3.298 -6.720 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.920 -5.599 -3.158 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.209 -5.066 -5.456 1.00 0.00 H new ATOM 585 N GLN A 41 7.240 -0.010 -1.153 1.00 0.00 N ATOM 586 CA GLN A 41 8.358 0.640 -0.479 1.00 0.00 C ATOM 587 C GLN A 41 8.761 -0.131 0.774 1.00 0.00 C ATOM 588 O GLN A 41 8.066 -0.091 1.789 1.00 0.00 O ATOM 589 CB GLN A 41 7.991 2.079 -0.111 1.00 0.00 C ATOM 590 CG GLN A 41 9.195 2.957 0.186 1.00 0.00 C ATOM 591 CD GLN A 41 9.927 3.389 -1.070 1.00 0.00 C ATOM 592 OE1 GLN A 41 10.655 2.606 -1.679 1.00 0.00 O ATOM 593 NE2 GLN A 41 9.736 4.643 -1.463 1.00 0.00 N ATOM 0 H GLN A 41 6.483 -0.298 -0.533 1.00 0.00 H new ATOM 0 HA GLN A 41 9.206 0.652 -1.164 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.423 2.521 -0.930 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.337 2.067 0.761 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.869 3.841 0.734 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.883 2.416 0.835 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.123 5.258 -0.927 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.202 4.991 -2.301 1.00 0.00 H new ATOM 602 N TYR A 42 9.887 -0.830 0.695 1.00 0.00 N ATOM 603 CA TYR A 42 10.381 -1.612 1.821 1.00 0.00 C ATOM 604 C TYR A 42 11.263 -0.762 2.731 1.00 0.00 C ATOM 605 O TYR A 42 11.978 0.127 2.267 1.00 0.00 O ATOM 606 CB TYR A 42 11.167 -2.826 1.321 1.00 0.00 C ATOM 607 CG TYR A 42 10.298 -3.898 0.704 1.00 0.00 C ATOM 608 CD1 TYR A 42 9.371 -3.587 -0.282 1.00 0.00 C ATOM 609 CD2 TYR A 42 10.406 -5.223 1.107 1.00 0.00 C ATOM 610 CE1 TYR A 42 8.574 -4.563 -0.848 1.00 0.00 C ATOM 611 CE2 TYR A 42 9.614 -6.207 0.547 1.00 0.00 C ATOM 612 CZ TYR A 42 8.700 -5.872 -0.430 1.00 0.00 C ATOM 613 OH TYR A 42 7.910 -6.848 -0.992 1.00 0.00 O ATOM 0 H TYR A 42 10.475 -0.871 -0.137 1.00 0.00 H new ATOM 0 HA TYR A 42 9.521 -1.955 2.396 1.00 0.00 H new ATOM 0 HB2 TYR A 42 11.900 -2.496 0.585 1.00 0.00 H new ATOM 0 HB3 TYR A 42 11.724 -3.256 2.154 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.271 -2.564 -0.612 1.00 0.00 H new ATOM 0 HD2 TYR A 42 11.121 -5.489 1.871 1.00 0.00 H new ATOM 0 HE1 TYR A 42 7.857 -4.303 -1.613 1.00 0.00 H new ATOM 0 HE2 TYR A 42 9.710 -7.232 0.872 1.00 0.00 H new ATOM 0 HH TYR A 42 7.116 -6.987 -0.435 1.00 0.00 H new ATOM 623 N PHE A 43 11.205 -1.040 4.028 1.00 0.00 N ATOM 624 CA PHE A 43 11.997 -0.301 5.005 1.00 0.00 C ATOM 625 C PHE A 43 12.983 -1.223 5.715 1.00 0.00 C ATOM 626 O PHE A 43 12.596 -2.034 6.559 1.00 0.00 O ATOM 627 CB PHE A 43 11.082 0.373 6.030 1.00 0.00 C ATOM 628 CG PHE A 43 10.204 1.440 5.439 1.00 0.00 C ATOM 629 CD1 PHE A 43 9.028 1.105 4.787 1.00 0.00 C ATOM 630 CD2 PHE A 43 10.555 2.776 5.536 1.00 0.00 C ATOM 631 CE1 PHE A 43 8.218 2.084 4.243 1.00 0.00 C ATOM 632 CE2 PHE A 43 9.748 3.759 4.995 1.00 0.00 C ATOM 633 CZ PHE A 43 8.580 3.413 4.347 1.00 0.00 C ATOM 0 H PHE A 43 10.618 -1.772 4.428 1.00 0.00 H new ATOM 0 HA PHE A 43 12.562 0.465 4.473 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.454 -0.385 6.499 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.694 0.812 6.818 1.00 0.00 H new ATOM 0 HD1 PHE A 43 8.741 0.067 4.703 1.00 0.00 H new ATOM 0 HD2 PHE A 43 11.469 3.053 6.040 1.00 0.00 H new ATOM 0 HE1 PHE A 43 7.304 1.810 3.738 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.032 4.798 5.079 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.950 4.180 3.922 1.00 0.00 H new ATOM 643 N LYS A 44 14.259 -1.095 5.369 1.00 0.00 N ATOM 644 CA LYS A 44 15.303 -1.916 5.972 1.00 0.00 C ATOM 645 C LYS A 44 15.697 -1.373 7.342 1.00 0.00 C ATOM 646 O LYS A 44 16.881 -1.248 7.654 1.00 0.00 O ATOM 647 CB LYS A 44 16.530 -1.968 5.060 1.00 0.00 C ATOM 648 CG LYS A 44 17.301 -3.274 5.153 1.00 0.00 C ATOM 649 CD LYS A 44 17.911 -3.657 3.814 1.00 0.00 C ATOM 650 CE LYS A 44 19.338 -3.147 3.685 1.00 0.00 C ATOM 651 NZ LYS A 44 19.697 -2.859 2.269 1.00 0.00 N ATOM 0 H LYS A 44 14.596 -0.430 4.673 1.00 0.00 H new ATOM 0 HA LYS A 44 14.910 -2.925 6.099 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.213 -1.816 4.028 1.00 0.00 H new ATOM 0 HB3 LYS A 44 17.196 -1.143 5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 44 18.089 -3.180 5.900 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.635 -4.068 5.491 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.900 -4.741 3.705 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.303 -3.249 3.006 1.00 0.00 H new ATOM 0 HE2 LYS A 44 19.456 -2.242 4.281 1.00 0.00 H new ATOM 0 HE3 LYS A 44 20.027 -3.888 4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 20.677 -2.514 2.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 19.609 -3.728 1.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 19.056 -2.134 1.889 1.00 0.00 H new ATOM 665 N SER A 45 14.697 -1.052 8.157 1.00 0.00 N ATOM 666 CA SER A 45 14.939 -0.521 9.493 1.00 0.00 C ATOM 667 C SER A 45 13.758 -0.806 10.414 1.00 0.00 C ATOM 668 O SER A 45 13.934 -1.127 11.589 1.00 0.00 O ATOM 669 CB SER A 45 15.197 0.986 9.426 1.00 0.00 C ATOM 670 OG SER A 45 16.402 1.267 8.736 1.00 0.00 O ATOM 0 H SER A 45 13.711 -1.151 7.915 1.00 0.00 H new ATOM 0 HA SER A 45 15.821 -1.016 9.900 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.364 1.479 8.925 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.248 1.395 10.435 1.00 0.00 H new ATOM 0 HG SER A 45 16.793 0.431 8.407 1.00 0.00 H new ATOM 676 N PHE A 46 12.550 -0.685 9.872 1.00 0.00 N ATOM 677 CA PHE A 46 11.337 -0.928 10.645 1.00 0.00 C ATOM 678 C PHE A 46 10.555 -2.107 10.071 1.00 0.00 C ATOM 679 O PHE A 46 9.348 -2.228 10.284 1.00 0.00 O ATOM 680 CB PHE A 46 10.457 0.323 10.660 1.00 0.00 C ATOM 681 CG PHE A 46 11.203 1.576 11.021 1.00 0.00 C ATOM 682 CD1 PHE A 46 11.461 1.887 12.347 1.00 0.00 C ATOM 683 CD2 PHE A 46 11.647 2.443 10.035 1.00 0.00 C ATOM 684 CE1 PHE A 46 12.146 3.039 12.682 1.00 0.00 C ATOM 685 CE2 PHE A 46 12.333 3.596 10.364 1.00 0.00 C ATOM 686 CZ PHE A 46 12.584 3.895 11.690 1.00 0.00 C ATOM 0 H PHE A 46 12.385 -0.420 8.901 1.00 0.00 H new ATOM 0 HA PHE A 46 11.629 -1.170 11.667 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.003 0.450 9.677 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.643 0.177 11.370 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.123 1.221 13.127 1.00 0.00 H new ATOM 0 HD2 PHE A 46 11.454 2.214 8.997 1.00 0.00 H new ATOM 0 HE1 PHE A 46 12.339 3.270 13.719 1.00 0.00 H new ATOM 0 HE2 PHE A 46 12.673 4.263 9.586 1.00 0.00 H new ATOM 0 HZ PHE A 46 13.121 4.795 11.950 1.00 0.00 H new ATOM 696 N LYS A 47 11.251 -2.973 9.343 1.00 0.00 N ATOM 697 CA LYS A 47 10.624 -4.143 8.740 1.00 0.00 C ATOM 698 C LYS A 47 9.226 -3.808 8.230 1.00 0.00 C ATOM 699 O LYS A 47 8.316 -4.636 8.298 1.00 0.00 O ATOM 700 CB LYS A 47 10.550 -5.286 9.753 1.00 0.00 C ATOM 701 CG LYS A 47 11.911 -5.812 10.178 1.00 0.00 C ATOM 702 CD LYS A 47 12.284 -7.073 9.415 1.00 0.00 C ATOM 703 CE LYS A 47 11.691 -8.314 10.064 1.00 0.00 C ATOM 704 NZ LYS A 47 12.635 -8.940 11.030 1.00 0.00 N ATOM 0 H LYS A 47 12.250 -2.887 9.156 1.00 0.00 H new ATOM 0 HA LYS A 47 11.235 -4.456 7.893 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.010 -4.943 10.636 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.972 -6.104 9.324 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.667 -5.046 10.009 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.903 -6.021 11.248 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.931 -6.995 8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.369 -7.166 9.373 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.768 -8.048 10.579 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.429 -9.037 9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.259 -9.860 11.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.559 -9.077 10.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.747 -8.320 11.857 1.00 0.00 H new ATOM 718 N ARG A 48 9.063 -2.593 7.718 1.00 0.00 N ATOM 719 CA ARG A 48 7.775 -2.151 7.197 1.00 0.00 C ATOM 720 C ARG A 48 7.781 -2.138 5.671 1.00 0.00 C ATOM 721 O ARG A 48 8.840 -2.156 5.045 1.00 0.00 O ATOM 722 CB ARG A 48 7.438 -0.756 7.728 1.00 0.00 C ATOM 723 CG ARG A 48 6.524 -0.772 8.943 1.00 0.00 C ATOM 724 CD ARG A 48 6.426 0.604 9.584 1.00 0.00 C ATOM 725 NE ARG A 48 6.994 0.623 10.930 1.00 0.00 N ATOM 726 CZ ARG A 48 6.442 0.007 11.968 1.00 0.00 C ATOM 727 NH1 ARG A 48 5.314 -0.673 11.818 1.00 0.00 N ATOM 728 NH2 ARG A 48 7.019 0.071 13.163 1.00 0.00 N ATOM 0 H ARG A 48 9.806 -1.897 7.653 1.00 0.00 H new ATOM 0 HA ARG A 48 7.014 -2.855 7.534 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.363 -0.241 7.987 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.963 -0.179 6.934 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.530 -1.109 8.648 1.00 0.00 H new ATOM 0 HG3 ARG A 48 6.900 -1.489 9.673 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.946 1.332 8.961 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.381 0.910 9.627 1.00 0.00 H new ATOM 0 HE ARG A 48 7.862 1.138 11.080 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.867 -0.724 10.902 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.893 -1.145 12.618 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.887 0.594 13.283 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.594 -0.403 13.960 1.00 0.00 H new ATOM 742 N VAL A 49 6.591 -2.107 5.080 1.00 0.00 N ATOM 743 CA VAL A 49 6.460 -2.091 3.628 1.00 0.00 C ATOM 744 C VAL A 49 5.224 -1.308 3.196 1.00 0.00 C ATOM 745 O VAL A 49 4.105 -1.815 3.255 1.00 0.00 O ATOM 746 CB VAL A 49 6.374 -3.519 3.056 1.00 0.00 C ATOM 747 CG1 VAL A 49 6.427 -3.490 1.537 1.00 0.00 C ATOM 748 CG2 VAL A 49 7.489 -4.386 3.621 1.00 0.00 C ATOM 0 H VAL A 49 5.704 -2.092 5.584 1.00 0.00 H new ATOM 0 HA VAL A 49 7.352 -1.603 3.236 1.00 0.00 H new ATOM 0 HB VAL A 49 5.420 -3.955 3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.365 -4.508 1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.590 -2.905 1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.364 -3.036 1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.414 -5.391 3.207 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.455 -3.956 3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.399 -4.433 4.706 1.00 0.00 H new ATOM 758 N ARG A 50 5.437 -0.070 2.762 1.00 0.00 N ATOM 759 CA ARG A 50 4.341 0.784 2.322 1.00 0.00 C ATOM 760 C ARG A 50 4.004 0.523 0.857 1.00 0.00 C ATOM 761 O ARG A 50 4.857 0.667 -0.021 1.00 0.00 O ATOM 762 CB ARG A 50 4.703 2.257 2.519 1.00 0.00 C ATOM 763 CG ARG A 50 3.499 3.184 2.529 1.00 0.00 C ATOM 764 CD ARG A 50 3.880 4.598 2.120 1.00 0.00 C ATOM 765 NE ARG A 50 3.716 5.548 3.217 1.00 0.00 N ATOM 766 CZ ARG A 50 4.641 5.764 4.146 1.00 0.00 C ATOM 767 NH1 ARG A 50 5.789 5.101 4.111 1.00 0.00 N ATOM 768 NH2 ARG A 50 4.418 6.645 5.114 1.00 0.00 N ATOM 0 H ARG A 50 6.359 0.364 2.706 1.00 0.00 H new ATOM 0 HA ARG A 50 3.465 0.549 2.926 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.243 2.367 3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.382 2.565 1.724 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.738 2.800 1.850 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.058 3.199 3.526 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.916 4.611 1.781 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.265 4.909 1.276 1.00 0.00 H new ATOM 0 HE ARG A 50 2.844 6.074 3.273 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.964 4.423 3.369 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.497 5.269 4.826 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.536 7.157 5.145 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.129 6.810 5.827 1.00 0.00 H new ATOM 782 N ILE A 51 2.759 0.139 0.600 1.00 0.00 N ATOM 783 CA ILE A 51 2.310 -0.141 -0.758 1.00 0.00 C ATOM 784 C ILE A 51 1.238 0.851 -1.198 1.00 0.00 C ATOM 785 O ILE A 51 0.090 0.774 -0.761 1.00 0.00 O ATOM 786 CB ILE A 51 1.754 -1.571 -0.884 1.00 0.00 C ATOM 787 CG1 ILE A 51 2.807 -2.592 -0.447 1.00 0.00 C ATOM 788 CG2 ILE A 51 1.307 -1.841 -2.313 1.00 0.00 C ATOM 789 CD1 ILE A 51 2.360 -3.468 0.701 1.00 0.00 C ATOM 0 H ILE A 51 2.042 0.014 1.315 1.00 0.00 H new ATOM 0 HA ILE A 51 3.181 -0.041 -1.405 1.00 0.00 H new ATOM 0 HB ILE A 51 0.888 -1.668 -0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.063 -3.224 -1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.715 -2.064 -0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.916 -2.856 -2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.528 -1.131 -2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.156 -1.730 -2.987 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.156 -4.167 0.957 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.132 -2.846 1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.469 -4.024 0.409 1.00 0.00 H new ATOM 801 N ASN A 52 1.620 1.780 -2.069 1.00 0.00 N ATOM 802 CA ASN A 52 0.690 2.786 -2.570 1.00 0.00 C ATOM 803 C ASN A 52 -0.030 2.287 -3.819 1.00 0.00 C ATOM 804 O ASN A 52 0.604 1.892 -4.798 1.00 0.00 O ATOM 805 CB ASN A 52 1.434 4.087 -2.881 1.00 0.00 C ATOM 806 CG ASN A 52 1.698 4.913 -1.637 1.00 0.00 C ATOM 807 OD1 ASN A 52 0.781 5.218 -0.875 1.00 0.00 O ATOM 808 ND2 ASN A 52 2.956 5.281 -1.428 1.00 0.00 N ATOM 0 H ASN A 52 2.566 1.857 -2.442 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.053 2.976 -1.796 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.381 3.853 -3.367 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.850 4.676 -3.588 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.195 5.840 -0.609 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.684 5.005 -2.087 1.00 0.00 H new ATOM 815 N PHE A 53 -1.358 2.308 -3.778 1.00 0.00 N ATOM 816 CA PHE A 53 -2.165 1.858 -4.906 1.00 0.00 C ATOM 817 C PHE A 53 -2.644 3.043 -5.739 1.00 0.00 C ATOM 818 O PHE A 53 -2.272 4.188 -5.482 1.00 0.00 O ATOM 819 CB PHE A 53 -3.367 1.050 -4.410 1.00 0.00 C ATOM 820 CG PHE A 53 -2.985 -0.163 -3.611 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.334 -0.032 -2.395 1.00 0.00 C ATOM 822 CD2 PHE A 53 -3.277 -1.435 -4.076 1.00 0.00 C ATOM 823 CE1 PHE A 53 -1.981 -1.146 -1.657 1.00 0.00 C ATOM 824 CE2 PHE A 53 -2.926 -2.553 -3.343 1.00 0.00 C ATOM 825 CZ PHE A 53 -2.278 -2.408 -2.132 1.00 0.00 C ATOM 0 H PHE A 53 -1.898 2.632 -2.976 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.542 1.222 -5.535 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.000 1.693 -3.799 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.963 0.738 -5.267 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.099 0.953 -2.019 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.785 -1.554 -5.022 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.474 -1.030 -0.711 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.158 -3.539 -3.717 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.004 -3.280 -1.557 1.00 0.00 H new ATOM 835 N SER A 54 -3.471 2.760 -6.740 1.00 0.00 N ATOM 836 CA SER A 54 -3.998 3.799 -7.614 1.00 0.00 C ATOM 837 C SER A 54 -5.426 4.168 -7.221 1.00 0.00 C ATOM 838 O SER A 54 -5.969 5.171 -7.684 1.00 0.00 O ATOM 839 CB SER A 54 -3.962 3.337 -9.072 1.00 0.00 C ATOM 840 OG SER A 54 -4.749 2.173 -9.257 1.00 0.00 O ATOM 0 H SER A 54 -3.790 1.818 -6.965 1.00 0.00 H new ATOM 0 HA SER A 54 -3.369 4.683 -7.505 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.328 4.134 -9.719 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.933 3.135 -9.367 1.00 0.00 H new ATOM 0 HG SER A 54 -4.230 1.502 -9.748 1.00 0.00 H new ATOM 846 N ASN A 55 -6.027 3.350 -6.365 1.00 0.00 N ATOM 847 CA ASN A 55 -7.392 3.588 -5.909 1.00 0.00 C ATOM 848 C ASN A 55 -7.619 2.982 -4.527 1.00 0.00 C ATOM 849 O ASN A 55 -7.065 1.937 -4.183 1.00 0.00 O ATOM 850 CB ASN A 55 -8.394 3.003 -6.906 1.00 0.00 C ATOM 851 CG ASN A 55 -8.112 1.548 -7.224 1.00 0.00 C ATOM 852 OD1 ASN A 55 -7.975 0.719 -6.323 1.00 0.00 O ATOM 853 ND2 ASN A 55 -8.023 1.230 -8.510 1.00 0.00 N ATOM 0 H ASN A 55 -5.591 2.516 -5.972 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.543 4.665 -5.842 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.401 3.094 -6.500 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.367 3.585 -7.827 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.834 0.266 -8.785 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.143 1.950 -9.223 1.00 0.00 H new ATOM 860 N PRO A 56 -8.453 3.649 -3.717 1.00 0.00 N ATOM 861 CA PRO A 56 -8.773 3.194 -2.362 1.00 0.00 C ATOM 862 C PRO A 56 -9.627 1.930 -2.361 1.00 0.00 C ATOM 863 O PRO A 56 -9.874 1.337 -1.310 1.00 0.00 O ATOM 864 CB PRO A 56 -9.555 4.369 -1.768 1.00 0.00 C ATOM 865 CG PRO A 56 -10.142 5.066 -2.947 1.00 0.00 C ATOM 866 CD PRO A 56 -9.148 4.900 -4.063 1.00 0.00 C ATOM 0 HA PRO A 56 -7.878 2.932 -1.798 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.331 4.024 -1.085 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.903 5.032 -1.200 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.106 4.634 -3.216 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.314 6.120 -2.731 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.641 4.831 -5.033 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.458 5.742 -4.115 1.00 0.00 H new ATOM 874 N LEU A 57 -10.075 1.525 -3.543 1.00 0.00 N ATOM 875 CA LEU A 57 -10.902 0.331 -3.679 1.00 0.00 C ATOM 876 C LEU A 57 -10.077 -0.932 -3.451 1.00 0.00 C ATOM 877 O LEU A 57 -10.341 -1.699 -2.526 1.00 0.00 O ATOM 878 CB LEU A 57 -11.546 0.287 -5.067 1.00 0.00 C ATOM 879 CG LEU A 57 -12.884 1.015 -5.208 1.00 0.00 C ATOM 880 CD1 LEU A 57 -13.248 1.182 -6.675 1.00 0.00 C ATOM 881 CD2 LEU A 57 -13.980 0.264 -4.466 1.00 0.00 C ATOM 0 H LEU A 57 -9.880 2.005 -4.421 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.685 0.374 -2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.845 0.714 -5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.692 -0.757 -5.345 1.00 0.00 H new ATOM 0 HG LEU A 57 -12.786 2.006 -4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -14.203 1.702 -6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -12.475 1.763 -7.178 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -13.328 0.201 -7.144 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -14.925 0.796 -4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -14.078 -0.740 -4.880 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -13.723 0.197 -3.409 1.00 0.00 H new ATOM 893 N SER A 58 -9.074 -1.139 -4.299 1.00 0.00 N ATOM 894 CA SER A 58 -8.211 -2.309 -4.190 1.00 0.00 C ATOM 895 C SER A 58 -7.558 -2.377 -2.813 1.00 0.00 C ATOM 896 O SER A 58 -7.547 -3.426 -2.170 1.00 0.00 O ATOM 897 CB SER A 58 -7.134 -2.278 -5.277 1.00 0.00 C ATOM 898 OG SER A 58 -7.056 -3.520 -5.954 1.00 0.00 O ATOM 0 H SER A 58 -8.839 -0.512 -5.068 1.00 0.00 H new ATOM 0 HA SER A 58 -8.828 -3.198 -4.324 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.356 -1.485 -5.991 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.168 -2.043 -4.830 1.00 0.00 H new ATOM 0 HG SER A 58 -6.481 -3.427 -6.742 1.00 0.00 H new ATOM 904 N ALA A 59 -7.013 -1.249 -2.367 1.00 0.00 N ATOM 905 CA ALA A 59 -6.361 -1.179 -1.066 1.00 0.00 C ATOM 906 C ALA A 59 -7.080 -2.049 -0.042 1.00 0.00 C ATOM 907 O ALA A 59 -6.456 -2.611 0.857 1.00 0.00 O ATOM 908 CB ALA A 59 -6.298 0.264 -0.585 1.00 0.00 C ATOM 0 H ALA A 59 -7.011 -0.372 -2.888 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.345 -1.559 -1.176 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.809 0.302 0.388 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.732 0.861 -1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.309 0.663 -0.499 1.00 0.00 H new ATOM 914 N ALA A 60 -8.397 -2.155 -0.184 1.00 0.00 N ATOM 915 CA ALA A 60 -9.202 -2.959 0.729 1.00 0.00 C ATOM 916 C ALA A 60 -9.081 -4.443 0.404 1.00 0.00 C ATOM 917 O ALA A 60 -8.584 -5.227 1.214 1.00 0.00 O ATOM 918 CB ALA A 60 -10.658 -2.521 0.672 1.00 0.00 C ATOM 0 H ALA A 60 -8.930 -1.695 -0.922 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.826 -2.804 1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.248 -3.129 1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.734 -1.472 0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.037 -2.648 -0.342 1.00 0.00 H new ATOM 924 N ASP A 61 -9.537 -4.825 -0.784 1.00 0.00 N ATOM 925 CA ASP A 61 -9.480 -6.216 -1.215 1.00 0.00 C ATOM 926 C ASP A 61 -8.157 -6.858 -0.805 1.00 0.00 C ATOM 927 O ASP A 61 -8.120 -8.015 -0.388 1.00 0.00 O ATOM 928 CB ASP A 61 -9.659 -6.311 -2.731 1.00 0.00 C ATOM 929 CG ASP A 61 -10.877 -7.127 -3.120 1.00 0.00 C ATOM 930 OD1 ASP A 61 -10.910 -8.333 -2.798 1.00 0.00 O ATOM 931 OD2 ASP A 61 -11.796 -6.559 -3.744 1.00 0.00 O ATOM 0 H ASP A 61 -9.951 -4.189 -1.466 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.292 -6.755 -0.727 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.750 -5.308 -3.147 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.769 -6.760 -3.172 1.00 0.00 H new ATOM 936 N ALA A 62 -7.074 -6.097 -0.929 1.00 0.00 N ATOM 937 CA ALA A 62 -5.750 -6.592 -0.571 1.00 0.00 C ATOM 938 C ALA A 62 -5.705 -7.035 0.888 1.00 0.00 C ATOM 939 O ALA A 62 -5.277 -8.147 1.194 1.00 0.00 O ATOM 940 CB ALA A 62 -4.699 -5.522 -0.833 1.00 0.00 C ATOM 0 H ALA A 62 -7.087 -5.137 -1.274 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.533 -7.460 -1.193 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.715 -5.904 -0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.706 -5.256 -1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.922 -4.638 -0.235 1.00 0.00 H new ATOM 946 N ARG A 63 -6.149 -6.157 1.782 1.00 0.00 N ATOM 947 CA ARG A 63 -6.157 -6.458 3.208 1.00 0.00 C ATOM 948 C ARG A 63 -6.829 -7.801 3.477 1.00 0.00 C ATOM 949 O ARG A 63 -6.235 -8.695 4.080 1.00 0.00 O ATOM 950 CB ARG A 63 -6.877 -5.351 3.980 1.00 0.00 C ATOM 951 CG ARG A 63 -6.586 -5.360 5.472 1.00 0.00 C ATOM 952 CD ARG A 63 -6.776 -3.981 6.085 1.00 0.00 C ATOM 953 NE ARG A 63 -8.085 -3.839 6.718 1.00 0.00 N ATOM 954 CZ ARG A 63 -8.475 -4.554 7.767 1.00 0.00 C ATOM 955 NH1 ARG A 63 -7.662 -5.455 8.299 1.00 0.00 N ATOM 956 NH2 ARG A 63 -9.682 -4.366 8.287 1.00 0.00 N ATOM 0 H ARG A 63 -6.508 -5.232 1.544 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.123 -6.515 3.548 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.587 -4.385 3.568 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.951 -5.453 3.827 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.244 -6.074 5.968 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.564 -5.697 5.642 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.995 -3.802 6.824 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.663 -3.222 5.311 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.735 -3.153 6.333 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.733 -5.601 7.903 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.965 -6.002 9.105 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.310 -3.672 7.881 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.981 -4.915 9.093 1.00 0.00 H new ATOM 970 N LEU A 64 -8.071 -7.935 3.026 1.00 0.00 N ATOM 971 CA LEU A 64 -8.827 -9.169 3.217 1.00 0.00 C ATOM 972 C LEU A 64 -8.055 -10.369 2.677 1.00 0.00 C ATOM 973 O LEU A 64 -8.028 -11.432 3.298 1.00 0.00 O ATOM 974 CB LEU A 64 -10.187 -9.070 2.526 1.00 0.00 C ATOM 975 CG LEU A 64 -10.288 -9.719 1.145 1.00 0.00 C ATOM 976 CD1 LEU A 64 -10.457 -11.224 1.274 1.00 0.00 C ATOM 977 CD2 LEU A 64 -11.439 -9.116 0.354 1.00 0.00 C ATOM 0 H LEU A 64 -8.577 -7.204 2.525 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.980 -9.310 4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.935 -9.525 3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.447 -8.016 2.430 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.362 -9.523 0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.527 -11.669 0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.599 -11.643 1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.367 -11.441 1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.495 -9.590 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.374 -9.279 0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.274 -8.046 0.230 1.00 0.00 H new ATOM 989 N ARG A 65 -7.426 -10.189 1.520 1.00 0.00 N ATOM 990 CA ARG A 65 -6.653 -11.257 0.897 1.00 0.00 C ATOM 991 C ARG A 65 -5.346 -11.491 1.649 1.00 0.00 C ATOM 992 O ARG A 65 -4.748 -12.564 1.557 1.00 0.00 O ATOM 993 CB ARG A 65 -6.360 -10.916 -0.566 1.00 0.00 C ATOM 994 CG ARG A 65 -7.404 -11.445 -1.535 1.00 0.00 C ATOM 995 CD ARG A 65 -6.776 -12.322 -2.606 1.00 0.00 C ATOM 996 NE ARG A 65 -7.736 -13.264 -3.175 1.00 0.00 N ATOM 997 CZ ARG A 65 -8.657 -12.923 -4.070 1.00 0.00 C ATOM 998 NH1 ARG A 65 -8.741 -11.670 -4.496 1.00 0.00 N ATOM 999 NH2 ARG A 65 -9.496 -13.836 -4.541 1.00 0.00 N ATOM 0 H ARG A 65 -7.436 -9.314 0.995 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.244 -12.172 0.938 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.294 -9.833 -0.672 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.386 -11.323 -0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.153 -12.017 -0.988 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.922 -10.609 -2.005 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.372 -11.693 -3.399 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.938 -12.872 -2.178 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.697 -14.236 -2.869 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.098 -10.965 -4.137 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.449 -11.411 -5.183 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.435 -14.801 -4.216 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.203 -13.573 -5.228 1.00 0.00 H new ATOM 1013 N LEU A 66 -4.907 -10.480 2.391 1.00 0.00 N ATOM 1014 CA LEU A 66 -3.671 -10.575 3.159 1.00 0.00 C ATOM 1015 C LEU A 66 -3.936 -10.373 4.647 1.00 0.00 C ATOM 1016 O LEU A 66 -5.009 -10.710 5.148 1.00 0.00 O ATOM 1017 CB LEU A 66 -2.660 -9.538 2.665 1.00 0.00 C ATOM 1018 CG LEU A 66 -2.525 -9.403 1.148 1.00 0.00 C ATOM 1019 CD1 LEU A 66 -1.810 -8.109 0.789 1.00 0.00 C ATOM 1020 CD2 LEU A 66 -1.786 -10.601 0.568 1.00 0.00 C ATOM 0 H LEU A 66 -5.389 -9.585 2.477 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.259 -11.574 3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.938 -8.566 3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.682 -9.789 3.076 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.525 -9.375 0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.723 -8.030 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.379 -7.261 1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.815 -8.108 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.700 -10.487 -0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.790 -10.662 1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.338 -11.513 0.794 1.00 0.00 H new ATOM 1032 N HIS A 67 -2.952 -9.819 5.349 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.082 -9.569 6.780 1.00 0.00 C ATOM 1034 C HIS A 67 -2.749 -10.823 7.582 1.00 0.00 C ATOM 1035 O HIS A 67 -1.893 -11.616 7.189 1.00 0.00 O ATOM 1036 CB HIS A 67 -4.498 -9.098 7.111 1.00 0.00 C ATOM 1037 CG HIS A 67 -4.564 -8.186 8.298 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -3.443 -7.737 8.964 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -5.625 -7.637 8.935 1.00 0.00 C ATOM 1040 CE1 HIS A 67 -3.812 -6.952 9.961 1.00 0.00 C ATOM 1041 NE2 HIS A 67 -5.131 -6.875 9.965 1.00 0.00 N ATOM 0 H HIS A 67 -2.057 -9.535 4.950 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.375 -8.786 7.053 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.913 -8.583 6.244 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.128 -9.968 7.296 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -6.666 -7.773 8.681 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.148 -6.457 10.655 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.691 -6.337 10.626 1.00 0.00 H new ATOM 1049 N LYS A 68 -3.431 -10.997 8.709 1.00 0.00 N ATOM 1050 CA LYS A 68 -3.210 -12.155 9.567 1.00 0.00 C ATOM 1051 C LYS A 68 -2.864 -13.388 8.739 1.00 0.00 C ATOM 1052 O LYS A 68 -2.092 -14.244 9.172 1.00 0.00 O ATOM 1053 CB LYS A 68 -4.452 -12.430 10.419 1.00 0.00 C ATOM 1054 CG LYS A 68 -4.614 -11.472 11.586 1.00 0.00 C ATOM 1055 CD LYS A 68 -6.065 -11.067 11.777 1.00 0.00 C ATOM 1056 CE LYS A 68 -6.920 -12.248 12.212 1.00 0.00 C ATOM 1057 NZ LYS A 68 -7.511 -12.038 13.563 1.00 0.00 N ATOM 0 H LYS A 68 -4.142 -10.350 9.050 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.369 -11.933 10.224 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.337 -12.371 9.786 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.401 -13.450 10.801 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.243 -11.941 12.497 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.007 -10.583 11.415 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.128 -10.276 12.524 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.455 -10.657 10.845 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.719 -12.405 11.487 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.313 -13.153 12.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.086 -12.865 13.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.749 -11.914 14.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.111 -11.189 13.551 1.00 0.00 H new ATOM 1071 N THR A 69 -3.440 -13.474 7.544 1.00 0.00 N ATOM 1072 CA THR A 69 -3.193 -14.602 6.655 1.00 0.00 C ATOM 1073 C THR A 69 -1.768 -15.119 6.807 1.00 0.00 C ATOM 1074 O THR A 69 -0.809 -14.350 6.752 1.00 0.00 O ATOM 1075 CB THR A 69 -3.433 -14.220 5.182 1.00 0.00 C ATOM 1076 OG1 THR A 69 -2.555 -13.154 4.802 1.00 0.00 O ATOM 1077 CG2 THR A 69 -4.877 -13.795 4.963 1.00 0.00 C ATOM 0 H THR A 69 -4.081 -12.775 7.169 1.00 0.00 H new ATOM 0 HA THR A 69 -3.894 -15.387 6.938 1.00 0.00 H new ATOM 0 HB THR A 69 -3.229 -15.095 4.565 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.209 -12.713 5.606 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.023 -13.530 3.916 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.542 -14.618 5.225 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.102 -12.933 5.591 1.00 0.00 H new ATOM 1085 N GLU A 70 -1.636 -16.429 6.999 1.00 0.00 N ATOM 1086 CA GLU A 70 -0.326 -17.048 7.160 1.00 0.00 C ATOM 1087 C GLU A 70 0.502 -16.909 5.886 1.00 0.00 C ATOM 1088 O GLU A 70 0.434 -17.755 4.993 1.00 0.00 O ATOM 1089 CB GLU A 70 -0.478 -18.527 7.524 1.00 0.00 C ATOM 1090 CG GLU A 70 -0.256 -18.816 8.999 1.00 0.00 C ATOM 1091 CD GLU A 70 -0.475 -20.276 9.346 1.00 0.00 C ATOM 1092 OE1 GLU A 70 -1.638 -20.657 9.598 1.00 0.00 O ATOM 1093 OE2 GLU A 70 0.515 -21.038 9.367 1.00 0.00 O ATOM 0 H GLU A 70 -2.420 -17.080 7.047 1.00 0.00 H new ATOM 0 HA GLU A 70 0.194 -16.533 7.968 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.477 -18.861 7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.230 -19.112 6.937 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.759 -18.530 9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.932 -18.200 9.592 1.00 0.00 H new ATOM 1100 N PHE A 71 1.282 -15.837 5.809 1.00 0.00 N ATOM 1101 CA PHE A 71 2.123 -15.585 4.643 1.00 0.00 C ATOM 1102 C PHE A 71 3.359 -16.479 4.661 1.00 0.00 C ATOM 1103 O PHE A 71 4.288 -16.257 5.438 1.00 0.00 O ATOM 1104 CB PHE A 71 2.543 -14.115 4.599 1.00 0.00 C ATOM 1105 CG PHE A 71 3.657 -13.839 3.631 1.00 0.00 C ATOM 1106 CD1 PHE A 71 3.391 -13.637 2.287 1.00 0.00 C ATOM 1107 CD2 PHE A 71 4.972 -13.780 4.066 1.00 0.00 C ATOM 1108 CE1 PHE A 71 4.415 -13.384 1.394 1.00 0.00 C ATOM 1109 CE2 PHE A 71 6.001 -13.527 3.178 1.00 0.00 C ATOM 1110 CZ PHE A 71 5.722 -13.327 1.840 1.00 0.00 C ATOM 0 H PHE A 71 1.350 -15.128 6.539 1.00 0.00 H new ATOM 0 HA PHE A 71 1.542 -15.816 3.750 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.680 -13.507 4.330 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.854 -13.804 5.596 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.372 -13.678 1.933 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.195 -13.934 5.111 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.194 -13.231 0.348 1.00 0.00 H new ATOM 0 HE2 PHE A 71 7.021 -13.486 3.530 1.00 0.00 H new ATOM 0 HZ PHE A 71 6.523 -13.127 1.144 1.00 0.00 H new ATOM 1120 N LEU A 72 3.363 -17.491 3.800 1.00 0.00 N ATOM 1121 CA LEU A 72 4.484 -18.420 3.716 1.00 0.00 C ATOM 1122 C LEU A 72 4.729 -19.101 5.059 1.00 0.00 C ATOM 1123 O LEU A 72 5.857 -19.472 5.381 1.00 0.00 O ATOM 1124 CB LEU A 72 5.747 -17.685 3.266 1.00 0.00 C ATOM 1125 CG LEU A 72 5.980 -17.614 1.756 1.00 0.00 C ATOM 1126 CD1 LEU A 72 6.091 -16.167 1.300 1.00 0.00 C ATOM 1127 CD2 LEU A 72 7.230 -18.394 1.371 1.00 0.00 C ATOM 0 H LEU A 72 2.602 -17.689 3.150 1.00 0.00 H new ATOM 0 HA LEU A 72 4.235 -19.186 2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.710 -16.668 3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.609 -18.171 3.724 1.00 0.00 H new ATOM 0 HG LEU A 72 5.125 -18.067 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.257 -16.137 0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.169 -15.638 1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.927 -15.688 1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.380 -18.332 0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.095 -17.971 1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.111 -19.438 1.662 1.00 0.00 H new ATOM 1139 N GLY A 73 3.664 -19.263 5.838 1.00 0.00 N ATOM 1140 CA GLY A 73 3.784 -19.901 7.135 1.00 0.00 C ATOM 1141 C GLY A 73 3.819 -18.899 8.273 1.00 0.00 C ATOM 1142 O GLY A 73 3.465 -19.223 9.407 1.00 0.00 O ATOM 0 H GLY A 73 2.720 -18.964 5.594 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.946 -20.582 7.280 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.692 -20.504 7.157 1.00 0.00 H new ATOM 1146 N LYS A 74 4.248 -17.678 7.971 1.00 0.00 N ATOM 1147 CA LYS A 74 4.330 -16.625 8.976 1.00 0.00 C ATOM 1148 C LYS A 74 3.235 -15.584 8.762 1.00 0.00 C ATOM 1149 O LYS A 74 3.104 -15.023 7.675 1.00 0.00 O ATOM 1150 CB LYS A 74 5.703 -15.953 8.930 1.00 0.00 C ATOM 1151 CG LYS A 74 6.848 -16.882 9.295 1.00 0.00 C ATOM 1152 CD LYS A 74 7.466 -16.508 10.632 1.00 0.00 C ATOM 1153 CE LYS A 74 7.762 -17.738 11.475 1.00 0.00 C ATOM 1154 NZ LYS A 74 9.041 -18.389 11.076 1.00 0.00 N ATOM 0 H LYS A 74 4.544 -17.393 7.037 1.00 0.00 H new ATOM 0 HA LYS A 74 4.189 -17.080 9.956 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.872 -15.559 7.928 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.705 -15.103 9.612 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.485 -17.909 9.336 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.611 -16.844 8.517 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.388 -15.951 10.464 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.789 -15.848 11.175 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.811 -17.455 12.526 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.944 -18.452 11.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.207 -19.223 11.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.985 -18.683 10.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.825 -17.716 11.195 1.00 0.00 H new ATOM 1168 N GLU A 75 2.454 -15.331 9.808 1.00 0.00 N ATOM 1169 CA GLU A 75 1.372 -14.357 9.733 1.00 0.00 C ATOM 1170 C GLU A 75 1.922 -12.945 9.551 1.00 0.00 C ATOM 1171 O GLU A 75 2.904 -12.565 10.187 1.00 0.00 O ATOM 1172 CB GLU A 75 0.508 -14.422 10.994 1.00 0.00 C ATOM 1173 CG GLU A 75 -0.288 -13.154 11.253 1.00 0.00 C ATOM 1174 CD GLU A 75 -1.577 -13.418 12.008 1.00 0.00 C ATOM 1175 OE1 GLU A 75 -2.056 -14.571 11.978 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -2.105 -12.472 12.628 1.00 0.00 O ATOM 0 H GLU A 75 2.550 -15.786 10.716 1.00 0.00 H new ATOM 0 HA GLU A 75 0.757 -14.602 8.868 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.181 -15.262 10.909 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.149 -14.621 11.853 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.325 -12.455 11.821 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.520 -12.675 10.302 1.00 0.00 H new ATOM 1183 N MET A 76 1.281 -12.174 8.678 1.00 0.00 N ATOM 1184 CA MET A 76 1.706 -10.805 8.414 1.00 0.00 C ATOM 1185 C MET A 76 0.614 -9.812 8.799 1.00 0.00 C ATOM 1186 O MET A 76 -0.575 -10.117 8.713 1.00 0.00 O ATOM 1187 CB MET A 76 2.065 -10.636 6.936 1.00 0.00 C ATOM 1188 CG MET A 76 1.952 -9.203 6.443 1.00 0.00 C ATOM 1189 SD MET A 76 2.306 -9.044 4.682 1.00 0.00 S ATOM 1190 CE MET A 76 0.925 -9.942 3.977 1.00 0.00 C ATOM 0 H MET A 76 0.466 -12.474 8.142 1.00 0.00 H new ATOM 0 HA MET A 76 2.588 -10.602 9.021 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.084 -10.987 6.776 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.411 -11.270 6.337 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.946 -8.833 6.642 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.641 -8.574 7.006 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.680 -9.525 3.000 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.193 -10.993 3.866 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.061 -9.856 4.635 1.00 0.00 H new ATOM 1200 N LYS A 77 1.026 -8.623 9.226 1.00 0.00 N ATOM 1201 CA LYS A 77 0.082 -7.585 9.625 1.00 0.00 C ATOM 1202 C LYS A 77 -0.093 -6.554 8.514 1.00 0.00 C ATOM 1203 O LYS A 77 0.694 -6.504 7.569 1.00 0.00 O ATOM 1204 CB LYS A 77 0.563 -6.895 10.904 1.00 0.00 C ATOM 1205 CG LYS A 77 -0.127 -7.396 12.161 1.00 0.00 C ATOM 1206 CD LYS A 77 -0.245 -6.300 13.208 1.00 0.00 C ATOM 1207 CE LYS A 77 -0.573 -6.872 14.578 1.00 0.00 C ATOM 1208 NZ LYS A 77 -1.699 -6.144 15.226 1.00 0.00 N ATOM 0 H LYS A 77 2.007 -8.354 9.305 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.882 -8.057 9.814 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.638 -7.045 11.005 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.398 -5.822 10.812 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.120 -7.767 11.908 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.432 -8.236 12.574 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.690 -5.742 13.260 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.021 -5.594 12.912 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.831 -7.926 14.479 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.310 -6.818 15.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.639 -6.260 16.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.642 -5.133 14.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.603 -6.530 14.886 1.00 0.00 H new ATOM 1222 N LEU A 78 -1.129 -5.732 8.636 1.00 0.00 N ATOM 1223 CA LEU A 78 -1.408 -4.700 7.643 1.00 0.00 C ATOM 1224 C LEU A 78 -2.187 -3.544 8.262 1.00 0.00 C ATOM 1225 O LEU A 78 -3.129 -3.756 9.025 1.00 0.00 O ATOM 1226 CB LEU A 78 -2.195 -5.291 6.472 1.00 0.00 C ATOM 1227 CG LEU A 78 -1.362 -5.815 5.301 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -2.079 -6.964 4.608 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -1.067 -4.695 4.313 1.00 0.00 C ATOM 0 H LEU A 78 -1.790 -5.760 9.412 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.456 -4.317 7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.810 -6.108 6.849 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.875 -4.527 6.095 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.415 -6.187 5.692 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.472 -7.324 3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.239 -7.775 5.319 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.041 -6.618 4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.474 -5.086 3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.004 -4.293 3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.512 -3.903 4.816 1.00 0.00 H new ATOM 1241 N TYR A 79 -1.790 -2.322 7.925 1.00 0.00 N ATOM 1242 CA TYR A 79 -2.451 -1.132 8.449 1.00 0.00 C ATOM 1243 C TYR A 79 -2.765 -0.146 7.328 1.00 0.00 C ATOM 1244 O TYR A 79 -2.042 -0.066 6.335 1.00 0.00 O ATOM 1245 CB TYR A 79 -1.574 -0.459 9.505 1.00 0.00 C ATOM 1246 CG TYR A 79 -1.473 -1.240 10.796 1.00 0.00 C ATOM 1247 CD1 TYR A 79 -0.583 -2.300 10.921 1.00 0.00 C ATOM 1248 CD2 TYR A 79 -2.265 -0.918 11.890 1.00 0.00 C ATOM 1249 CE1 TYR A 79 -0.487 -3.017 12.098 1.00 0.00 C ATOM 1250 CE2 TYR A 79 -2.175 -1.628 13.072 1.00 0.00 C ATOM 1251 CZ TYR A 79 -1.285 -2.677 13.170 1.00 0.00 C ATOM 1252 OH TYR A 79 -1.192 -3.388 14.345 1.00 0.00 O ATOM 0 H TYR A 79 -1.014 -2.129 7.292 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.389 -1.441 8.910 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.573 -0.317 9.097 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -1.974 0.532 9.720 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.044 -2.568 10.084 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.964 -0.098 11.816 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.209 -3.839 12.178 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.798 -1.363 13.914 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.821 -3.020 15.000 1.00 0.00 H new ATOM 1262 N PHE A 80 -3.847 0.605 7.495 1.00 0.00 N ATOM 1263 CA PHE A 80 -4.259 1.587 6.498 1.00 0.00 C ATOM 1264 C PHE A 80 -3.350 2.812 6.534 1.00 0.00 C ATOM 1265 O PHE A 80 -3.302 3.534 7.530 1.00 0.00 O ATOM 1266 CB PHE A 80 -5.711 2.008 6.735 1.00 0.00 C ATOM 1267 CG PHE A 80 -6.706 1.196 5.956 1.00 0.00 C ATOM 1268 CD1 PHE A 80 -6.631 1.125 4.575 1.00 0.00 C ATOM 1269 CD2 PHE A 80 -7.715 0.505 6.605 1.00 0.00 C ATOM 1270 CE1 PHE A 80 -7.544 0.378 3.855 1.00 0.00 C ATOM 1271 CE2 PHE A 80 -8.632 -0.244 5.891 1.00 0.00 C ATOM 1272 CZ PHE A 80 -8.546 -0.307 4.513 1.00 0.00 C ATOM 0 H PHE A 80 -4.456 0.553 8.312 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.178 1.125 5.514 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.937 1.922 7.798 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.824 3.059 6.469 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.850 1.660 4.055 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -7.787 0.552 7.682 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.474 0.330 2.778 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.414 -0.779 6.409 1.00 0.00 H new ATOM 0 HZ PHE A 80 -9.261 -0.891 3.952 1.00 0.00 H new