USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 651 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 25 THR OG1 : rot -91:sc= 0.304 USER MOD Set 1.2: A 67 CYS SG : rot 180:sc= 0.0899 USER MOD Set 2.1: A 57 GLN : amide:sc= -0.575! X(o=-3.3!,f=-3.7) USER MOD Set 2.2: A 62 CYS SG : rot 120:sc= -2.69 USER MOD Set 3.1: A 30 CYS SG : rot -90:sc= -1.11 USER MOD Set 3.2: A 79 CYS SG : rot 100:sc= 0.282 USER MOD Set 4.1: A 10 HIS : no HE2:sc= -13.2! C(o=-13!,f=-12!) USER MOD Set 4.2: A 33 SER OG : rot 180:sc= -0.0533 USER MOD Single : A 17 HIS : no HD1:sc= -0.422 X(o=-0.42,f=-0.23) USER MOD Single : A 18 GLN : amide:sc= -0.905 K(o=-0.91,f=-1.6!) USER MOD Single : A 20 SER OG : rot 170:sc= -1.79! USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0118) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -1.67! X(o=-1.7!,f=-1.5) USER MOD Single : A 54 SER OG : rot 40:sc= 0.568 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot -26:sc= -0.0908 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0514 USER MOD Single : A 81 CYS SG : rot 54:sc= 0.237 USER MOD Single : A 86 THR OG1 : rot -80:sc= 0.843 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 0.944 20.109 0.221 1.00 0.00 N ATOM 67 CA PRO A 8 0.784 18.949 1.102 1.00 0.00 C ATOM 68 C PRO A 8 2.118 18.295 1.448 1.00 0.00 C ATOM 69 O PRO A 8 3.175 18.758 1.023 1.00 0.00 O ATOM 70 CB PRO A 8 -0.082 17.993 0.277 1.00 0.00 C ATOM 71 CG PRO A 8 0.184 18.370 -1.140 1.00 0.00 C ATOM 72 CD PRO A 8 0.430 19.853 -1.135 1.00 0.00 C ATOM 0 HA PRO A 8 0.345 19.224 2.061 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.184 16.953 0.467 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.138 18.102 0.524 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.048 17.833 -1.531 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.664 18.117 -1.777 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.151 20.143 -1.899 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.485 20.413 -1.330 1.00 0.00 H new ATOM 80 N ALA A 9 2.060 17.216 2.222 1.00 0.00 N ATOM 81 CA ALA A 9 3.263 16.497 2.622 1.00 0.00 C ATOM 82 C ALA A 9 3.893 15.777 1.435 1.00 0.00 C ATOM 83 O ALA A 9 3.285 14.883 0.845 1.00 0.00 O ATOM 84 CB ALA A 9 2.942 15.508 3.733 1.00 0.00 C ATOM 0 H ALA A 9 1.192 16.821 2.584 1.00 0.00 H new ATOM 0 HA ALA A 9 3.984 17.224 2.996 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.850 14.978 4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.545 16.045 4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.201 14.792 3.379 1.00 0.00 H new ATOM 90 N HIS A 10 5.114 16.172 1.089 1.00 0.00 N ATOM 91 CA HIS A 10 5.826 15.563 -0.029 1.00 0.00 C ATOM 92 C HIS A 10 6.308 14.161 0.333 1.00 0.00 C ATOM 93 O HIS A 10 6.727 13.910 1.463 1.00 0.00 O ATOM 94 CB HIS A 10 7.014 16.434 -0.439 1.00 0.00 C ATOM 95 CG HIS A 10 8.083 16.519 0.607 1.00 0.00 C ATOM 96 ND1 HIS A 10 8.358 17.673 1.310 1.00 0.00 N ATOM 97 CD2 HIS A 10 8.947 15.585 1.069 1.00 0.00 C ATOM 98 CE1 HIS A 10 9.345 17.446 2.158 1.00 0.00 C ATOM 99 NE2 HIS A 10 9.720 16.185 2.032 1.00 0.00 N ATOM 0 H HIS A 10 5.631 16.911 1.566 1.00 0.00 H new ATOM 0 HA HIS A 10 5.136 15.485 -0.869 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.446 16.036 -1.357 1.00 0.00 H new ATOM 0 HB3 HIS A 10 6.657 17.439 -0.664 1.00 0.00 H new ATOM 0 HD1 HIS A 10 7.874 18.563 1.193 1.00 0.00 H new ATOM 0 HD2 HIS A 10 9.016 14.558 0.741 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.773 18.168 2.838 1.00 0.00 H new ATOM 108 N PHE A 11 6.245 13.251 -0.634 1.00 0.00 N ATOM 109 CA PHE A 11 6.674 11.875 -0.416 1.00 0.00 C ATOM 110 C PHE A 11 8.193 11.789 -0.307 1.00 0.00 C ATOM 111 O PHE A 11 8.907 11.936 -1.300 1.00 0.00 O ATOM 112 CB PHE A 11 6.182 10.979 -1.556 1.00 0.00 C ATOM 113 CG PHE A 11 4.771 10.497 -1.373 1.00 0.00 C ATOM 114 CD1 PHE A 11 4.459 9.593 -0.370 1.00 0.00 C ATOM 115 CD2 PHE A 11 3.758 10.947 -2.204 1.00 0.00 C ATOM 116 CE1 PHE A 11 3.162 9.147 -0.199 1.00 0.00 C ATOM 117 CE2 PHE A 11 2.459 10.505 -2.037 1.00 0.00 C ATOM 118 CZ PHE A 11 2.161 9.603 -1.034 1.00 0.00 C ATOM 0 H PHE A 11 5.901 13.442 -1.575 1.00 0.00 H new ATOM 0 HA PHE A 11 6.240 11.530 0.523 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.251 11.528 -2.495 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.844 10.117 -1.642 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.238 9.233 0.285 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.986 11.651 -2.991 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.932 8.443 0.587 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.678 10.865 -2.690 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.147 9.255 -0.903 1.00 0.00 H new ATOM 128 N ILE A 12 8.680 11.550 0.906 1.00 0.00 N ATOM 129 CA ILE A 12 10.114 11.444 1.146 1.00 0.00 C ATOM 130 C ILE A 12 10.579 9.994 1.065 1.00 0.00 C ATOM 131 O ILE A 12 11.713 9.715 0.677 1.00 0.00 O ATOM 132 CB ILE A 12 10.499 12.018 2.522 1.00 0.00 C ATOM 133 CG1 ILE A 12 9.776 11.259 3.636 1.00 0.00 C ATOM 134 CG2 ILE A 12 10.172 13.503 2.586 1.00 0.00 C ATOM 135 CD1 ILE A 12 10.247 11.631 5.025 1.00 0.00 C ATOM 0 H ILE A 12 8.103 11.426 1.738 1.00 0.00 H new ATOM 0 HA ILE A 12 10.608 12.026 0.368 1.00 0.00 H new ATOM 0 HB ILE A 12 11.573 11.896 2.663 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.706 11.451 3.560 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.919 10.189 3.487 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.450 13.895 3.565 1.00 0.00 H new ATOM 0 HG22 ILE A 12 10.728 14.032 1.812 1.00 0.00 H new ATOM 0 HG23 ILE A 12 9.103 13.647 2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.691 11.054 5.764 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.311 11.412 5.119 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.079 12.695 5.193 1.00 0.00 H new ATOM 147 N GLY A 13 9.694 9.072 1.431 1.00 0.00 N ATOM 148 CA GLY A 13 10.031 7.662 1.391 1.00 0.00 C ATOM 149 C GLY A 13 9.095 6.866 0.504 1.00 0.00 C ATOM 150 O GLY A 13 8.408 5.958 0.971 1.00 0.00 O ATOM 0 H GLY A 13 8.749 9.277 1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.053 7.546 1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.001 7.256 2.402 1.00 0.00 H new ATOM 154 N ARG A 14 9.066 7.209 -0.780 1.00 0.00 N ATOM 155 CA ARG A 14 8.204 6.522 -1.735 1.00 0.00 C ATOM 156 C ARG A 14 8.087 5.040 -1.393 1.00 0.00 C ATOM 157 O ARG A 14 8.995 4.454 -0.801 1.00 0.00 O ATOM 158 CB ARG A 14 8.747 6.688 -3.155 1.00 0.00 C ATOM 159 CG ARG A 14 8.431 8.040 -3.775 1.00 0.00 C ATOM 160 CD ARG A 14 8.567 8.004 -5.289 1.00 0.00 C ATOM 161 NE ARG A 14 7.997 6.788 -5.862 1.00 0.00 N ATOM 162 CZ ARG A 14 8.353 6.295 -7.043 1.00 0.00 C ATOM 163 NH1 ARG A 14 9.273 6.912 -7.772 1.00 0.00 N ATOM 164 NH2 ARG A 14 7.789 5.183 -7.496 1.00 0.00 N ATOM 0 H ARG A 14 9.629 7.958 -1.183 1.00 0.00 H new ATOM 0 HA ARG A 14 7.212 6.969 -1.678 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.828 6.549 -3.140 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.333 5.902 -3.787 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.417 8.336 -3.507 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.103 8.795 -3.366 1.00 0.00 H new ATOM 0 HD2 ARG A 14 8.070 8.874 -5.718 1.00 0.00 H new ATOM 0 HD3 ARG A 14 9.621 8.073 -5.560 1.00 0.00 H new ATOM 0 HE ARG A 14 7.286 6.290 -5.326 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.709 7.767 -7.426 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.545 6.532 -8.679 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.081 4.706 -6.937 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.063 4.805 -8.403 1.00 0.00 H new ATOM 178 N LEU A 15 6.964 4.438 -1.769 1.00 0.00 N ATOM 179 CA LEU A 15 6.728 3.023 -1.503 1.00 0.00 C ATOM 180 C LEU A 15 7.866 2.168 -2.050 1.00 0.00 C ATOM 181 O LEU A 15 8.865 2.690 -2.545 1.00 0.00 O ATOM 182 CB LEU A 15 5.400 2.582 -2.122 1.00 0.00 C ATOM 183 CG LEU A 15 4.138 3.170 -1.491 1.00 0.00 C ATOM 184 CD1 LEU A 15 2.998 3.192 -2.498 1.00 0.00 C ATOM 185 CD2 LEU A 15 3.742 2.379 -0.252 1.00 0.00 C ATOM 0 H LEU A 15 6.203 4.908 -2.259 1.00 0.00 H new ATOM 0 HA LEU A 15 6.682 2.885 -0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.410 2.845 -3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.338 1.495 -2.065 1.00 0.00 H new ATOM 0 HG LEU A 15 4.350 4.196 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.108 3.614 -2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.282 3.802 -3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.786 2.176 -2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.842 2.812 0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.549 1.342 -0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.552 2.415 0.477 1.00 0.00 H new ATOM 197 N ARG A 16 7.707 0.852 -1.960 1.00 0.00 N ATOM 198 CA ARG A 16 8.721 -0.075 -2.447 1.00 0.00 C ATOM 199 C ARG A 16 8.108 -1.438 -2.757 1.00 0.00 C ATOM 200 O ARG A 16 7.563 -2.101 -1.874 1.00 0.00 O ATOM 201 CB ARG A 16 9.839 -0.231 -1.414 1.00 0.00 C ATOM 202 CG ARG A 16 9.335 -0.368 0.013 1.00 0.00 C ATOM 203 CD ARG A 16 10.300 0.260 1.007 1.00 0.00 C ATOM 204 NE ARG A 16 10.331 1.716 0.894 1.00 0.00 N ATOM 205 CZ ARG A 16 11.357 2.461 1.289 1.00 0.00 C ATOM 206 NH1 ARG A 16 12.430 1.891 1.819 1.00 0.00 N ATOM 207 NH2 ARG A 16 11.311 3.781 1.153 1.00 0.00 N ATOM 0 H ARG A 16 6.886 0.404 -1.554 1.00 0.00 H new ATOM 0 HA ARG A 16 9.139 0.334 -3.367 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.435 -1.108 -1.666 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.502 0.632 -1.475 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.358 0.107 0.102 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.199 -1.423 0.253 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.010 -0.019 2.020 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.301 -0.138 0.841 1.00 0.00 H new ATOM 0 HE ARG A 16 9.521 2.186 0.490 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.469 0.877 1.924 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.216 2.466 2.121 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.487 4.223 0.745 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.099 4.353 1.457 1.00 0.00 H new ATOM 221 N HIS A 17 8.199 -1.849 -4.018 1.00 0.00 N ATOM 222 CA HIS A 17 7.653 -3.132 -4.445 1.00 0.00 C ATOM 223 C HIS A 17 7.857 -4.195 -3.369 1.00 0.00 C ATOM 224 O HIS A 17 8.982 -4.441 -2.934 1.00 0.00 O ATOM 225 CB HIS A 17 8.309 -3.580 -5.751 1.00 0.00 C ATOM 226 CG HIS A 17 9.716 -3.093 -5.913 1.00 0.00 C ATOM 227 ND1 HIS A 17 10.165 -2.453 -7.049 1.00 0.00 N ATOM 228 CD2 HIS A 17 10.776 -3.154 -5.073 1.00 0.00 C ATOM 229 CE1 HIS A 17 11.441 -2.143 -6.901 1.00 0.00 C ATOM 230 NE2 HIS A 17 11.835 -2.557 -5.711 1.00 0.00 N ATOM 0 H HIS A 17 8.646 -1.312 -4.762 1.00 0.00 H new ATOM 0 HA HIS A 17 6.583 -3.007 -4.609 1.00 0.00 H new ATOM 0 HB2 HIS A 17 8.303 -4.669 -5.796 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.711 -3.223 -6.589 1.00 0.00 H new ATOM 0 HD2 HIS A 17 10.787 -3.591 -4.085 1.00 0.00 H new ATOM 0 HE1 HIS A 17 12.057 -1.637 -7.630 1.00 0.00 H new ATOM 0 HE2 HIS A 17 12.774 -2.451 -5.328 1.00 0.00 H new ATOM 239 N GLN A 18 6.763 -4.819 -2.945 1.00 0.00 N ATOM 240 CA GLN A 18 6.823 -5.853 -1.919 1.00 0.00 C ATOM 241 C GLN A 18 6.196 -7.151 -2.417 1.00 0.00 C ATOM 242 O GLN A 18 5.080 -7.152 -2.935 1.00 0.00 O ATOM 243 CB GLN A 18 6.112 -5.383 -0.649 1.00 0.00 C ATOM 244 CG GLN A 18 4.621 -5.679 -0.642 1.00 0.00 C ATOM 245 CD GLN A 18 3.952 -5.275 0.657 1.00 0.00 C ATOM 246 OE1 GLN A 18 3.100 -5.994 1.180 1.00 0.00 O ATOM 247 NE2 GLN A 18 4.334 -4.118 1.185 1.00 0.00 N ATOM 0 H GLN A 18 5.825 -4.627 -3.296 1.00 0.00 H new ATOM 0 HA GLN A 18 7.872 -6.042 -1.690 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.573 -5.863 0.214 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.261 -4.309 -0.535 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.146 -5.153 -1.470 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.465 -6.745 -0.810 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.044 -3.554 0.718 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.918 -3.794 2.058 1.00 0.00 H new ATOM 256 N GLU A 19 6.922 -8.253 -2.257 1.00 0.00 N ATOM 257 CA GLU A 19 6.436 -9.557 -2.692 1.00 0.00 C ATOM 258 C GLU A 19 5.655 -10.246 -1.577 1.00 0.00 C ATOM 259 O GLU A 19 6.225 -10.652 -0.564 1.00 0.00 O ATOM 260 CB GLU A 19 7.605 -10.441 -3.133 1.00 0.00 C ATOM 261 CG GLU A 19 7.201 -11.871 -3.448 1.00 0.00 C ATOM 262 CD GLU A 19 8.374 -12.831 -3.409 1.00 0.00 C ATOM 263 OE1 GLU A 19 8.938 -13.033 -2.313 1.00 0.00 O ATOM 264 OE2 GLU A 19 8.729 -13.379 -4.473 1.00 0.00 O ATOM 0 H GLU A 19 7.848 -8.269 -1.830 1.00 0.00 H new ATOM 0 HA GLU A 19 5.767 -9.403 -3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.070 -10.001 -4.015 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.359 -10.450 -2.346 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.446 -12.197 -2.733 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.741 -11.905 -4.436 1.00 0.00 H new ATOM 271 N SER A 20 4.346 -10.375 -1.771 1.00 0.00 N ATOM 272 CA SER A 20 3.485 -11.011 -0.780 1.00 0.00 C ATOM 273 C SER A 20 3.067 -12.404 -1.239 1.00 0.00 C ATOM 274 O SER A 20 3.368 -12.817 -2.359 1.00 0.00 O ATOM 275 CB SER A 20 2.246 -10.152 -0.525 1.00 0.00 C ATOM 276 OG SER A 20 1.682 -9.695 -1.742 1.00 0.00 O ATOM 0 H SER A 20 3.859 -10.048 -2.605 1.00 0.00 H new ATOM 0 HA SER A 20 4.049 -11.107 0.148 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.506 -10.731 0.027 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.513 -9.299 0.098 1.00 0.00 H new ATOM 0 HG SER A 20 0.808 -9.288 -1.565 1.00 0.00 H new ATOM 282 N ILE A 21 2.371 -13.124 -0.365 1.00 0.00 N ATOM 283 CA ILE A 21 1.910 -14.470 -0.680 1.00 0.00 C ATOM 284 C ILE A 21 0.389 -14.521 -0.779 1.00 0.00 C ATOM 285 O ILE A 21 -0.314 -13.857 -0.019 1.00 0.00 O ATOM 286 CB ILE A 21 2.379 -15.488 0.377 1.00 0.00 C ATOM 287 CG1 ILE A 21 3.788 -15.984 0.049 1.00 0.00 C ATOM 288 CG2 ILE A 21 1.405 -16.654 0.458 1.00 0.00 C ATOM 289 CD1 ILE A 21 3.806 -17.196 -0.857 1.00 0.00 C ATOM 0 H ILE A 21 2.114 -12.797 0.567 1.00 0.00 H new ATOM 0 HA ILE A 21 2.344 -14.734 -1.644 1.00 0.00 H new ATOM 0 HB ILE A 21 2.406 -14.995 1.349 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.347 -15.177 -0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.304 -16.227 0.978 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.750 -17.365 1.209 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.417 -16.285 0.734 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.349 -17.149 -0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.837 -17.493 -1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.275 -18.018 -0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.319 -16.952 -1.801 1.00 0.00 H new ATOM 301 N GLU A 22 -0.111 -15.316 -1.721 1.00 0.00 N ATOM 302 CA GLU A 22 -1.549 -15.454 -1.918 1.00 0.00 C ATOM 303 C GLU A 22 -2.232 -15.918 -0.635 1.00 0.00 C ATOM 304 O GLU A 22 -1.697 -16.745 0.102 1.00 0.00 O ATOM 305 CB GLU A 22 -1.838 -16.443 -3.049 1.00 0.00 C ATOM 306 CG GLU A 22 -3.270 -16.952 -3.062 1.00 0.00 C ATOM 307 CD GLU A 22 -3.435 -18.207 -3.896 1.00 0.00 C ATOM 308 OE1 GLU A 22 -3.655 -18.083 -5.119 1.00 0.00 O ATOM 309 OE2 GLU A 22 -3.345 -19.314 -3.325 1.00 0.00 O ATOM 0 H GLU A 22 0.458 -15.873 -2.358 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.948 -14.477 -2.188 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.623 -15.963 -4.004 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.160 -17.292 -2.960 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.589 -17.155 -2.040 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.925 -16.173 -3.451 1.00 0.00 H new ATOM 316 N GLY A 23 -3.419 -15.378 -0.375 1.00 0.00 N ATOM 317 CA GLY A 23 -4.156 -15.747 0.820 1.00 0.00 C ATOM 318 C GLY A 23 -3.678 -15.001 2.050 1.00 0.00 C ATOM 319 O GLY A 23 -4.417 -14.860 3.024 1.00 0.00 O ATOM 0 H GLY A 23 -3.883 -14.692 -0.970 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.216 -15.546 0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.056 -16.819 0.988 1.00 0.00 H new ATOM 323 N ALA A 24 -2.439 -14.523 2.006 1.00 0.00 N ATOM 324 CA ALA A 24 -1.864 -13.787 3.125 1.00 0.00 C ATOM 325 C ALA A 24 -2.412 -12.365 3.187 1.00 0.00 C ATOM 326 O ALA A 24 -3.234 -11.968 2.360 1.00 0.00 O ATOM 327 CB ALA A 24 -0.347 -13.766 3.019 1.00 0.00 C ATOM 0 H ALA A 24 -1.814 -14.632 1.207 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.146 -14.297 4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.069 -13.213 3.861 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.033 -14.788 3.033 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.054 -13.282 2.087 1.00 0.00 H new ATOM 333 N THR A 25 -1.952 -11.601 4.173 1.00 0.00 N ATOM 334 CA THR A 25 -2.397 -10.224 4.343 1.00 0.00 C ATOM 335 C THR A 25 -1.278 -9.240 4.019 1.00 0.00 C ATOM 336 O THR A 25 -0.334 -9.083 4.793 1.00 0.00 O ATOM 337 CB THR A 25 -2.891 -9.967 5.780 1.00 0.00 C ATOM 338 OG1 THR A 25 -3.838 -10.972 6.159 1.00 0.00 O ATOM 339 CG2 THR A 25 -3.531 -8.591 5.894 1.00 0.00 C ATOM 0 H THR A 25 -1.271 -11.913 4.866 1.00 0.00 H new ATOM 0 HA THR A 25 -3.224 -10.071 3.649 1.00 0.00 H new ATOM 0 HB THR A 25 -2.032 -10.007 6.449 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.743 -10.671 5.932 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.872 -8.432 6.917 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.799 -7.827 5.632 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.381 -8.527 5.214 1.00 0.00 H new ATOM 347 N ALA A 26 -1.392 -8.580 2.872 1.00 0.00 N ATOM 348 CA ALA A 26 -0.391 -7.609 2.447 1.00 0.00 C ATOM 349 C ALA A 26 -0.381 -6.392 3.366 1.00 0.00 C ATOM 350 O ALA A 26 -1.418 -5.994 3.899 1.00 0.00 O ATOM 351 CB ALA A 26 -0.644 -7.184 1.009 1.00 0.00 C ATOM 0 H ALA A 26 -2.167 -8.700 2.220 1.00 0.00 H new ATOM 0 HA ALA A 26 0.588 -8.085 2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.111 -6.459 0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.592 -8.056 0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.633 -6.732 0.932 1.00 0.00 H new ATOM 357 N THR A 27 0.797 -5.804 3.550 1.00 0.00 N ATOM 358 CA THR A 27 0.942 -4.634 4.407 1.00 0.00 C ATOM 359 C THR A 27 1.994 -3.677 3.858 1.00 0.00 C ATOM 360 O THR A 27 3.194 -3.936 3.956 1.00 0.00 O ATOM 361 CB THR A 27 1.327 -5.033 5.843 1.00 0.00 C ATOM 362 OG1 THR A 27 0.346 -5.925 6.384 1.00 0.00 O ATOM 363 CG2 THR A 27 1.448 -3.805 6.733 1.00 0.00 C ATOM 0 H THR A 27 1.665 -6.119 3.117 1.00 0.00 H new ATOM 0 HA THR A 27 -0.026 -4.134 4.425 1.00 0.00 H new ATOM 0 HB THR A 27 2.294 -5.534 5.809 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.599 -6.175 7.297 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.721 -4.113 7.742 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.216 -3.142 6.336 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.494 -3.279 6.759 1.00 0.00 H new ATOM 371 N LEU A 28 1.537 -2.571 3.280 1.00 0.00 N ATOM 372 CA LEU A 28 2.440 -1.574 2.716 1.00 0.00 C ATOM 373 C LEU A 28 2.733 -0.470 3.726 1.00 0.00 C ATOM 374 O LEU A 28 1.987 -0.281 4.687 1.00 0.00 O ATOM 375 CB LEU A 28 1.837 -0.972 1.445 1.00 0.00 C ATOM 376 CG LEU A 28 2.017 -1.788 0.165 1.00 0.00 C ATOM 377 CD1 LEU A 28 0.834 -1.584 -0.769 1.00 0.00 C ATOM 378 CD2 LEU A 28 3.318 -1.411 -0.529 1.00 0.00 C ATOM 0 H LEU A 28 0.547 -2.342 3.190 1.00 0.00 H new ATOM 0 HA LEU A 28 3.378 -2.070 2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.770 -0.822 1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.277 0.013 1.289 1.00 0.00 H new ATOM 0 HG LEU A 28 2.064 -2.843 0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.980 -2.173 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.082 -1.904 -0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.755 -0.529 -1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.430 -2.002 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.300 -0.351 -0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.157 -1.609 0.138 1.00 0.00 H new ATOM 390 N ARG A 29 3.822 0.257 3.501 1.00 0.00 N ATOM 391 CA ARG A 29 4.213 1.344 4.392 1.00 0.00 C ATOM 392 C ARG A 29 4.991 2.415 3.634 1.00 0.00 C ATOM 393 O ARG A 29 5.800 2.105 2.758 1.00 0.00 O ATOM 394 CB ARG A 29 5.058 0.806 5.547 1.00 0.00 C ATOM 395 CG ARG A 29 5.294 1.821 6.654 1.00 0.00 C ATOM 396 CD ARG A 29 5.595 1.140 7.980 1.00 0.00 C ATOM 397 NE ARG A 29 6.431 1.969 8.843 1.00 0.00 N ATOM 398 CZ ARG A 29 6.840 1.594 10.050 1.00 0.00 C ATOM 399 NH1 ARG A 29 6.492 0.410 10.533 1.00 0.00 N ATOM 400 NH2 ARG A 29 7.599 2.405 10.776 1.00 0.00 N ATOM 0 H ARG A 29 4.450 0.114 2.710 1.00 0.00 H new ATOM 0 HA ARG A 29 3.306 1.795 4.794 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.566 -0.071 5.968 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.021 0.475 5.158 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.125 2.472 6.381 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.414 2.455 6.761 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.660 0.913 8.491 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.096 0.190 7.794 1.00 0.00 H new ATOM 0 HE ARG A 29 6.717 2.886 8.501 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.909 -0.216 9.978 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.807 0.125 11.460 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.869 3.317 10.407 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.913 2.116 11.703 1.00 0.00 H new ATOM 414 N CYS A 30 4.741 3.674 3.975 1.00 0.00 N ATOM 415 CA CYS A 30 5.417 4.791 3.326 1.00 0.00 C ATOM 416 C CYS A 30 5.663 5.926 4.314 1.00 0.00 C ATOM 417 O CYS A 30 5.311 5.826 5.489 1.00 0.00 O ATOM 418 CB CYS A 30 4.589 5.299 2.144 1.00 0.00 C ATOM 419 SG CYS A 30 2.881 5.717 2.565 1.00 0.00 S ATOM 0 H CYS A 30 4.075 3.947 4.698 1.00 0.00 H new ATOM 0 HA CYS A 30 6.381 4.437 2.960 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.075 6.181 1.726 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.584 4.538 1.364 1.00 0.00 H new ATOM 0 HG CYS A 30 2.129 4.667 2.419 1.00 0.00 H new ATOM 425 N GLU A 31 6.271 7.005 3.830 1.00 0.00 N ATOM 426 CA GLU A 31 6.567 8.158 4.673 1.00 0.00 C ATOM 427 C GLU A 31 6.168 9.456 3.977 1.00 0.00 C ATOM 428 O GLU A 31 6.204 9.553 2.750 1.00 0.00 O ATOM 429 CB GLU A 31 8.055 8.191 5.026 1.00 0.00 C ATOM 430 CG GLU A 31 8.346 8.824 6.376 1.00 0.00 C ATOM 431 CD GLU A 31 9.732 8.487 6.892 1.00 0.00 C ATOM 432 OE1 GLU A 31 10.697 8.587 6.105 1.00 0.00 O ATOM 433 OE2 GLU A 31 9.851 8.124 8.081 1.00 0.00 O ATOM 0 H GLU A 31 6.568 7.105 2.859 1.00 0.00 H new ATOM 0 HA GLU A 31 5.986 8.065 5.591 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.444 7.173 5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.591 8.741 4.253 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.246 9.906 6.295 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.602 8.488 7.098 1.00 0.00 H new ATOM 440 N LEU A 32 5.789 10.453 4.770 1.00 0.00 N ATOM 441 CA LEU A 32 5.384 11.746 4.232 1.00 0.00 C ATOM 442 C LEU A 32 6.129 12.882 4.924 1.00 0.00 C ATOM 443 O LEU A 32 6.500 12.773 6.093 1.00 0.00 O ATOM 444 CB LEU A 32 3.875 11.938 4.394 1.00 0.00 C ATOM 445 CG LEU A 32 2.988 11.043 3.527 1.00 0.00 C ATOM 446 CD1 LEU A 32 1.529 11.179 3.937 1.00 0.00 C ATOM 447 CD2 LEU A 32 3.164 11.384 2.054 1.00 0.00 C ATOM 0 H LEU A 32 5.754 10.390 5.787 1.00 0.00 H new ATOM 0 HA LEU A 32 5.635 11.765 3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.617 11.768 5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.635 12.978 4.172 1.00 0.00 H new ATOM 0 HG LEU A 32 3.292 10.007 3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.913 10.535 3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.415 10.885 4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.212 12.215 3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.525 10.737 1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.888 12.425 1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.205 11.234 1.768 1.00 0.00 H new ATOM 459 N SER A 33 6.344 13.974 4.196 1.00 0.00 N ATOM 460 CA SER A 33 7.046 15.130 4.740 1.00 0.00 C ATOM 461 C SER A 33 6.500 15.499 6.116 1.00 0.00 C ATOM 462 O SER A 33 7.195 16.108 6.930 1.00 0.00 O ATOM 463 CB SER A 33 6.919 16.323 3.791 1.00 0.00 C ATOM 464 OG SER A 33 7.334 17.522 4.422 1.00 0.00 O ATOM 0 H SER A 33 6.042 14.082 3.228 1.00 0.00 H new ATOM 0 HA SER A 33 8.099 14.869 4.845 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.523 16.149 2.900 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.885 16.421 3.461 1.00 0.00 H new ATOM 0 HG SER A 33 7.245 18.270 3.795 1.00 0.00 H new ATOM 470 N LYS A 34 5.250 15.126 6.370 1.00 0.00 N ATOM 471 CA LYS A 34 4.609 15.415 7.646 1.00 0.00 C ATOM 472 C LYS A 34 3.237 14.753 7.729 1.00 0.00 C ATOM 473 O LYS A 34 2.522 14.661 6.732 1.00 0.00 O ATOM 474 CB LYS A 34 4.470 16.927 7.840 1.00 0.00 C ATOM 475 CG LYS A 34 3.734 17.620 6.706 1.00 0.00 C ATOM 476 CD LYS A 34 3.289 19.018 7.102 1.00 0.00 C ATOM 477 CE LYS A 34 3.209 19.940 5.895 1.00 0.00 C ATOM 478 NZ LYS A 34 2.242 21.052 6.110 1.00 0.00 N ATOM 0 H LYS A 34 4.661 14.622 5.707 1.00 0.00 H new ATOM 0 HA LYS A 34 5.237 15.009 8.439 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.943 17.118 8.775 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.463 17.365 7.939 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.382 17.678 5.832 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.865 17.028 6.420 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.314 18.967 7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.987 19.430 7.831 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.196 20.352 5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.912 19.365 5.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.216 21.658 5.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.295 20.660 6.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.539 21.616 6.932 1.00 0.00 H new ATOM 492 N ALA A 35 2.877 14.295 8.923 1.00 0.00 N ATOM 493 CA ALA A 35 1.589 13.646 9.135 1.00 0.00 C ATOM 494 C ALA A 35 0.511 14.262 8.250 1.00 0.00 C ATOM 495 O ALA A 35 0.130 15.417 8.433 1.00 0.00 O ATOM 496 CB ALA A 35 1.188 13.736 10.600 1.00 0.00 C ATOM 0 H ALA A 35 3.459 14.361 9.758 1.00 0.00 H new ATOM 0 HA ALA A 35 1.690 12.596 8.861 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.224 13.247 10.744 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.941 13.242 11.214 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.111 14.783 10.893 1.00 0.00 H new ATOM 502 N ALA A 36 0.023 13.482 7.291 1.00 0.00 N ATOM 503 CA ALA A 36 -1.012 13.951 6.378 1.00 0.00 C ATOM 504 C ALA A 36 -1.809 12.784 5.806 1.00 0.00 C ATOM 505 O ALA A 36 -1.315 11.663 5.687 1.00 0.00 O ATOM 506 CB ALA A 36 -0.395 14.772 5.256 1.00 0.00 C ATOM 0 H ALA A 36 0.328 12.523 7.126 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.698 14.584 6.941 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.180 15.115 4.582 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.123 15.633 5.678 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.315 14.157 4.703 1.00 0.00 H new ATOM 512 N PRO A 37 -3.073 13.050 5.442 1.00 0.00 N ATOM 513 CA PRO A 37 -3.964 12.034 4.876 1.00 0.00 C ATOM 514 C PRO A 37 -3.546 11.613 3.471 1.00 0.00 C ATOM 515 O PRO A 37 -3.040 12.423 2.695 1.00 0.00 O ATOM 516 CB PRO A 37 -5.324 12.736 4.841 1.00 0.00 C ATOM 517 CG PRO A 37 -5.000 14.188 4.774 1.00 0.00 C ATOM 518 CD PRO A 37 -3.727 14.364 5.556 1.00 0.00 C ATOM 0 HA PRO A 37 -3.958 11.115 5.461 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.910 12.421 3.977 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.913 12.502 5.728 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.872 14.512 3.741 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.805 14.788 5.199 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.107 15.159 5.141 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.927 14.625 6.595 1.00 0.00 H new ATOM 526 N VAL A 38 -3.761 10.341 3.151 1.00 0.00 N ATOM 527 CA VAL A 38 -3.407 9.813 1.839 1.00 0.00 C ATOM 528 C VAL A 38 -4.504 8.902 1.299 1.00 0.00 C ATOM 529 O VAL A 38 -5.498 8.643 1.977 1.00 0.00 O ATOM 530 CB VAL A 38 -2.082 9.029 1.888 1.00 0.00 C ATOM 531 CG1 VAL A 38 -0.920 9.962 2.193 1.00 0.00 C ATOM 532 CG2 VAL A 38 -2.163 7.911 2.916 1.00 0.00 C ATOM 0 H VAL A 38 -4.179 9.657 3.782 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.290 10.669 1.175 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.909 8.580 0.910 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.007 9.390 2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.851 10.724 1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.082 10.442 3.158 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.219 7.367 2.937 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.360 8.335 3.900 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.969 7.228 2.648 1.00 0.00 H new ATOM 542 N GLU A 39 -4.316 8.420 0.075 1.00 0.00 N ATOM 543 CA GLU A 39 -5.291 7.538 -0.556 1.00 0.00 C ATOM 544 C GLU A 39 -4.598 6.498 -1.431 1.00 0.00 C ATOM 545 O GLU A 39 -4.085 6.816 -2.504 1.00 0.00 O ATOM 546 CB GLU A 39 -6.278 8.351 -1.397 1.00 0.00 C ATOM 547 CG GLU A 39 -7.197 7.495 -2.252 1.00 0.00 C ATOM 548 CD GLU A 39 -8.493 8.201 -2.603 1.00 0.00 C ATOM 549 OE1 GLU A 39 -9.010 8.952 -1.749 1.00 0.00 O ATOM 550 OE2 GLU A 39 -8.990 8.002 -3.731 1.00 0.00 O ATOM 0 H GLU A 39 -3.498 8.625 -0.499 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.837 7.019 0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.883 8.970 -0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.720 9.028 -2.044 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.679 7.217 -3.170 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.424 6.570 -1.722 1.00 0.00 H new ATOM 557 N TRP A 40 -4.586 5.254 -0.964 1.00 0.00 N ATOM 558 CA TRP A 40 -3.955 4.167 -1.703 1.00 0.00 C ATOM 559 C TRP A 40 -4.806 3.756 -2.899 1.00 0.00 C ATOM 560 O TRP A 40 -6.029 3.890 -2.878 1.00 0.00 O ATOM 561 CB TRP A 40 -3.727 2.964 -0.786 1.00 0.00 C ATOM 562 CG TRP A 40 -2.836 3.266 0.381 1.00 0.00 C ATOM 563 CD1 TRP A 40 -3.125 4.072 1.446 1.00 0.00 C ATOM 564 CD2 TRP A 40 -1.512 2.769 0.599 1.00 0.00 C ATOM 565 NE1 TRP A 40 -2.059 4.105 2.312 1.00 0.00 N ATOM 566 CE2 TRP A 40 -1.058 3.314 1.816 1.00 0.00 C ATOM 567 CE3 TRP A 40 -0.666 1.916 -0.114 1.00 0.00 C ATOM 568 CZ2 TRP A 40 0.205 3.032 2.332 1.00 0.00 C ATOM 569 CZ3 TRP A 40 0.587 1.637 0.399 1.00 0.00 C ATOM 570 CH2 TRP A 40 1.012 2.193 1.613 1.00 0.00 C ATOM 0 H TRP A 40 -5.006 4.974 -0.078 1.00 0.00 H new ATOM 0 HA TRP A 40 -2.992 4.522 -2.071 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.690 2.610 -0.417 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.290 2.151 -1.367 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.054 4.604 1.586 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -2.020 4.633 3.184 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.985 1.482 -1.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 0.535 3.461 3.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 1.249 0.980 -0.145 1.00 0.00 H new ATOM 0 HH2 TRP A 40 1.996 1.955 1.989 1.00 0.00 H new ATOM 581 N ARG A 41 -4.151 3.254 -3.942 1.00 0.00 N ATOM 582 CA ARG A 41 -4.849 2.825 -5.147 1.00 0.00 C ATOM 583 C ARG A 41 -4.215 1.561 -5.721 1.00 0.00 C ATOM 584 O ARG A 41 -3.021 1.532 -6.020 1.00 0.00 O ATOM 585 CB ARG A 41 -4.831 3.938 -6.196 1.00 0.00 C ATOM 586 CG ARG A 41 -5.737 5.110 -5.856 1.00 0.00 C ATOM 587 CD ARG A 41 -6.289 5.770 -7.110 1.00 0.00 C ATOM 588 NE ARG A 41 -7.560 6.445 -6.859 1.00 0.00 N ATOM 589 CZ ARG A 41 -8.428 6.756 -7.816 1.00 0.00 C ATOM 590 NH1 ARG A 41 -8.164 6.453 -9.079 1.00 0.00 N ATOM 591 NH2 ARG A 41 -9.564 7.370 -7.509 1.00 0.00 N ATOM 0 H ARG A 41 -3.139 3.135 -3.976 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.882 2.604 -4.879 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.810 4.301 -6.311 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.132 3.524 -7.158 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.562 4.765 -5.232 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.181 5.844 -5.272 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.565 6.491 -7.489 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.426 5.017 -7.886 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.794 6.691 -5.897 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.293 5.980 -9.319 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.832 6.693 -9.811 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.771 7.603 -6.538 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.230 7.608 -8.244 1.00 0.00 H new ATOM 605 N LYS A 42 -5.023 0.517 -5.872 1.00 0.00 N ATOM 606 CA LYS A 42 -4.543 -0.751 -6.410 1.00 0.00 C ATOM 607 C LYS A 42 -4.553 -0.733 -7.935 1.00 0.00 C ATOM 608 O LYS A 42 -5.539 -1.118 -8.564 1.00 0.00 O ATOM 609 CB LYS A 42 -5.407 -1.906 -5.897 1.00 0.00 C ATOM 610 CG LYS A 42 -5.127 -3.228 -6.590 1.00 0.00 C ATOM 611 CD LYS A 42 -6.102 -4.307 -6.147 1.00 0.00 C ATOM 612 CE LYS A 42 -6.280 -5.371 -7.219 1.00 0.00 C ATOM 613 NZ LYS A 42 -7.164 -4.903 -8.323 1.00 0.00 N ATOM 0 H LYS A 42 -6.014 0.524 -5.629 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.517 -0.895 -6.072 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.242 -2.024 -4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.458 -1.650 -6.031 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.195 -3.096 -7.670 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.107 -3.546 -6.372 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.741 -4.771 -5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.067 -3.855 -5.918 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.306 -5.644 -7.625 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.703 -6.270 -6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.370 -5.697 -8.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.053 -4.539 -7.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.686 -4.146 -8.853 1.00 0.00 H new ATOM 627 N GLY A 43 -3.449 -0.285 -8.525 1.00 0.00 N ATOM 628 CA GLY A 43 -3.352 -0.227 -9.972 1.00 0.00 C ATOM 629 C GLY A 43 -4.196 0.883 -10.565 1.00 0.00 C ATOM 630 O GLY A 43 -3.686 1.958 -10.883 1.00 0.00 O ATOM 0 H GLY A 43 -2.620 0.039 -8.027 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.310 -0.080 -10.258 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.666 -1.182 -10.393 1.00 0.00 H new ATOM 634 N ARG A 44 -5.491 0.624 -10.717 1.00 0.00 N ATOM 635 CA ARG A 44 -6.407 1.608 -11.280 1.00 0.00 C ATOM 636 C ARG A 44 -7.692 1.685 -10.461 1.00 0.00 C ATOM 637 O ARG A 44 -8.770 1.926 -11.004 1.00 0.00 O ATOM 638 CB ARG A 44 -6.735 1.260 -12.733 1.00 0.00 C ATOM 639 CG ARG A 44 -7.517 -0.034 -12.887 1.00 0.00 C ATOM 640 CD ARG A 44 -8.048 -0.199 -14.303 1.00 0.00 C ATOM 641 NE ARG A 44 -9.231 -1.053 -14.348 1.00 0.00 N ATOM 642 CZ ARG A 44 -10.453 -0.633 -14.039 1.00 0.00 C ATOM 643 NH1 ARG A 44 -10.651 0.623 -13.665 1.00 0.00 N ATOM 644 NH2 ARG A 44 -11.480 -1.471 -14.104 1.00 0.00 N ATOM 0 H ARG A 44 -5.929 -0.260 -10.458 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.918 2.582 -11.249 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.309 2.076 -13.173 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.806 1.183 -13.298 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.876 -0.880 -12.637 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.348 -0.044 -12.182 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.292 0.780 -14.715 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.269 -0.625 -14.935 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.113 -2.025 -14.632 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.864 1.270 -13.614 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.590 0.943 -13.428 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.331 -2.438 -14.391 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -12.418 -1.148 -13.867 1.00 0.00 H new ATOM 658 N GLU A 45 -7.569 1.478 -9.154 1.00 0.00 N ATOM 659 CA GLU A 45 -8.721 1.523 -8.262 1.00 0.00 C ATOM 660 C GLU A 45 -8.470 2.474 -7.096 1.00 0.00 C ATOM 661 O GLU A 45 -7.444 3.151 -7.043 1.00 0.00 O ATOM 662 CB GLU A 45 -9.039 0.122 -7.733 1.00 0.00 C ATOM 663 CG GLU A 45 -10.527 -0.153 -7.594 1.00 0.00 C ATOM 664 CD GLU A 45 -10.840 -1.106 -6.457 1.00 0.00 C ATOM 665 OE1 GLU A 45 -10.085 -1.111 -5.463 1.00 0.00 O ATOM 666 OE2 GLU A 45 -11.840 -1.847 -6.562 1.00 0.00 O ATOM 0 H GLU A 45 -6.683 1.278 -8.690 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.575 1.892 -8.831 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.602 -0.618 -8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.562 -0.007 -6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.053 0.788 -7.430 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.904 -0.571 -8.527 1.00 0.00 H new ATOM 673 N SER A 46 -9.416 2.520 -6.163 1.00 0.00 N ATOM 674 CA SER A 46 -9.301 3.392 -5.000 1.00 0.00 C ATOM 675 C SER A 46 -9.446 2.594 -3.707 1.00 0.00 C ATOM 676 O SER A 46 -10.522 2.081 -3.398 1.00 0.00 O ATOM 677 CB SER A 46 -10.361 4.493 -5.054 1.00 0.00 C ATOM 678 OG SER A 46 -10.687 4.952 -3.754 1.00 0.00 O ATOM 0 H SER A 46 -10.270 1.964 -6.190 1.00 0.00 H new ATOM 0 HA SER A 46 -8.312 3.849 -5.016 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.995 5.325 -5.656 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.258 4.115 -5.545 1.00 0.00 H new ATOM 0 HG SER A 46 -11.365 5.656 -3.816 1.00 0.00 H new ATOM 684 N LEU A 47 -8.355 2.494 -2.956 1.00 0.00 N ATOM 685 CA LEU A 47 -8.359 1.759 -1.696 1.00 0.00 C ATOM 686 C LEU A 47 -8.634 2.693 -0.521 1.00 0.00 C ATOM 687 O LEU A 47 -7.919 3.674 -0.316 1.00 0.00 O ATOM 688 CB LEU A 47 -7.020 1.048 -1.494 1.00 0.00 C ATOM 689 CG LEU A 47 -6.442 0.344 -2.722 1.00 0.00 C ATOM 690 CD1 LEU A 47 -5.135 -0.351 -2.373 1.00 0.00 C ATOM 691 CD2 LEU A 47 -7.443 -0.653 -3.286 1.00 0.00 C ATOM 0 H LEU A 47 -7.457 2.912 -3.197 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.155 1.016 -1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.292 1.780 -1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.139 0.311 -0.700 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.238 1.095 -3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.738 -0.847 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.415 0.386 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.313 -1.091 -1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.014 -1.144 -4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.679 -1.400 -2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.354 -0.130 -3.575 1.00 0.00 H new ATOM 703 N ARG A 48 -9.672 2.380 0.247 1.00 0.00 N ATOM 704 CA ARG A 48 -10.040 3.190 1.401 1.00 0.00 C ATOM 705 C ARG A 48 -10.310 2.311 2.619 1.00 0.00 C ATOM 706 O ARG A 48 -10.526 1.106 2.491 1.00 0.00 O ATOM 707 CB ARG A 48 -11.277 4.034 1.085 1.00 0.00 C ATOM 708 CG ARG A 48 -12.277 3.334 0.180 1.00 0.00 C ATOM 709 CD ARG A 48 -13.244 2.475 0.979 1.00 0.00 C ATOM 710 NE ARG A 48 -14.192 3.282 1.742 1.00 0.00 N ATOM 711 CZ ARG A 48 -15.313 2.800 2.267 1.00 0.00 C ATOM 712 NH1 ARG A 48 -15.624 1.520 2.113 1.00 0.00 N ATOM 713 NH2 ARG A 48 -16.125 3.598 2.948 1.00 0.00 N ATOM 0 H ARG A 48 -10.273 1.571 0.091 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.205 3.852 1.629 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.771 4.303 2.019 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.961 4.964 0.612 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -12.834 4.076 -0.391 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.745 2.712 -0.540 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.790 1.818 0.302 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -12.683 1.835 1.660 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.982 4.271 1.879 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.002 0.903 1.591 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.485 1.152 2.517 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.889 4.583 3.069 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.985 3.227 3.351 1.00 0.00 H new ATOM 727 N ASP A 49 -10.295 2.923 3.798 1.00 0.00 N ATOM 728 CA ASP A 49 -10.538 2.196 5.039 1.00 0.00 C ATOM 729 C ASP A 49 -11.944 1.605 5.056 1.00 0.00 C ATOM 730 O ASP A 49 -12.934 2.329 4.967 1.00 0.00 O ATOM 731 CB ASP A 49 -10.346 3.121 6.242 1.00 0.00 C ATOM 732 CG ASP A 49 -11.634 3.800 6.662 1.00 0.00 C ATOM 733 OD1 ASP A 49 -11.950 4.872 6.104 1.00 0.00 O ATOM 734 OD2 ASP A 49 -12.328 3.259 7.548 1.00 0.00 O ATOM 0 H ASP A 49 -10.117 3.920 3.921 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.819 1.379 5.100 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.952 2.546 7.080 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.602 3.879 5.998 1.00 0.00 H new ATOM 739 N GLY A 50 -12.023 0.282 5.170 1.00 0.00 N ATOM 740 CA GLY A 50 -13.312 -0.384 5.195 1.00 0.00 C ATOM 741 C GLY A 50 -13.261 -1.718 5.914 1.00 0.00 C ATOM 742 O GLY A 50 -12.632 -1.840 6.965 1.00 0.00 O ATOM 0 H GLY A 50 -11.218 -0.339 5.245 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.042 0.261 5.684 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.658 -0.538 4.173 1.00 0.00 H new ATOM 746 N ASP A 51 -13.926 -2.719 5.348 1.00 0.00 N ATOM 747 CA ASP A 51 -13.954 -4.051 5.942 1.00 0.00 C ATOM 748 C ASP A 51 -12.605 -4.397 6.563 1.00 0.00 C ATOM 749 O ASP A 51 -12.452 -4.387 7.785 1.00 0.00 O ATOM 750 CB ASP A 51 -14.328 -5.095 4.888 1.00 0.00 C ATOM 751 CG ASP A 51 -15.806 -5.076 4.554 1.00 0.00 C ATOM 752 OD1 ASP A 51 -16.609 -4.700 5.433 1.00 0.00 O ATOM 753 OD2 ASP A 51 -16.160 -5.438 3.412 1.00 0.00 O ATOM 0 H ASP A 51 -14.453 -2.634 4.479 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.708 -4.055 6.729 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -13.751 -4.914 3.981 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.053 -6.086 5.249 1.00 0.00 H new ATOM 758 N ARG A 52 -11.630 -4.705 5.714 1.00 0.00 N ATOM 759 CA ARG A 52 -10.294 -5.057 6.181 1.00 0.00 C ATOM 760 C ARG A 52 -9.296 -3.948 5.859 1.00 0.00 C ATOM 761 O ARG A 52 -8.480 -3.570 6.701 1.00 0.00 O ATOM 762 CB ARG A 52 -9.837 -6.370 5.542 1.00 0.00 C ATOM 763 CG ARG A 52 -10.171 -7.599 6.371 1.00 0.00 C ATOM 764 CD ARG A 52 -9.513 -7.542 7.741 1.00 0.00 C ATOM 765 NE ARG A 52 -10.371 -6.901 8.734 1.00 0.00 N ATOM 766 CZ ARG A 52 -10.098 -6.874 10.033 1.00 0.00 C ATOM 767 NH1 ARG A 52 -8.996 -7.448 10.495 1.00 0.00 N ATOM 768 NH2 ARG A 52 -10.928 -6.271 10.875 1.00 0.00 N ATOM 0 H ARG A 52 -11.740 -4.718 4.700 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.336 -5.182 7.263 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.301 -6.467 4.560 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.759 -6.331 5.383 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.252 -7.678 6.488 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.841 -8.495 5.845 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.271 -8.553 8.069 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.572 -6.997 7.669 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.227 -6.449 8.412 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.355 -7.912 9.852 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.789 -7.425 11.494 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.777 -5.828 10.524 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.717 -6.251 11.873 1.00 0.00 H new ATOM 782 N HIS A 53 -9.366 -3.432 4.636 1.00 0.00 N ATOM 783 CA HIS A 53 -8.469 -2.366 4.204 1.00 0.00 C ATOM 784 C HIS A 53 -8.187 -1.396 5.347 1.00 0.00 C ATOM 785 O HIS A 53 -9.036 -0.579 5.704 1.00 0.00 O ATOM 786 CB HIS A 53 -9.072 -1.614 3.017 1.00 0.00 C ATOM 787 CG HIS A 53 -9.307 -2.478 1.817 1.00 0.00 C ATOM 788 ND1 HIS A 53 -10.462 -3.207 1.629 1.00 0.00 N ATOM 789 CD2 HIS A 53 -8.528 -2.726 0.738 1.00 0.00 C ATOM 790 CE1 HIS A 53 -10.383 -3.868 0.488 1.00 0.00 C ATOM 791 NE2 HIS A 53 -9.219 -3.593 -0.073 1.00 0.00 N ATOM 0 H HIS A 53 -10.034 -3.735 3.927 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.527 -2.820 3.896 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.018 -1.167 3.323 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -8.407 -0.796 2.741 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.546 -2.318 0.550 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -11.141 -4.522 0.083 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.887 -3.964 -0.963 1.00 0.00 H new ATOM 800 N SER A 54 -6.991 -1.492 5.917 1.00 0.00 N ATOM 801 CA SER A 54 -6.599 -0.626 7.023 1.00 0.00 C ATOM 802 C SER A 54 -5.618 0.445 6.553 1.00 0.00 C ATOM 803 O SER A 54 -4.531 0.136 6.063 1.00 0.00 O ATOM 804 CB SER A 54 -5.970 -1.451 8.147 1.00 0.00 C ATOM 805 OG SER A 54 -6.208 -0.856 9.411 1.00 0.00 O ATOM 0 H SER A 54 -6.276 -2.161 5.631 1.00 0.00 H new ATOM 0 HA SER A 54 -7.495 -0.134 7.401 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.380 -2.461 8.134 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.897 -1.540 7.980 1.00 0.00 H new ATOM 0 HG SER A 54 -7.123 -0.505 9.441 1.00 0.00 H new ATOM 811 N LEU A 55 -6.010 1.705 6.705 1.00 0.00 N ATOM 812 CA LEU A 55 -5.167 2.823 6.297 1.00 0.00 C ATOM 813 C LEU A 55 -4.689 3.615 7.510 1.00 0.00 C ATOM 814 O LEU A 55 -4.698 4.846 7.502 1.00 0.00 O ATOM 815 CB LEU A 55 -5.931 3.742 5.342 1.00 0.00 C ATOM 816 CG LEU A 55 -6.443 3.095 4.055 1.00 0.00 C ATOM 817 CD1 LEU A 55 -5.286 2.769 3.124 1.00 0.00 C ATOM 818 CD2 LEU A 55 -7.245 1.841 4.370 1.00 0.00 C ATOM 0 H LEU A 55 -6.906 1.978 7.108 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.295 2.420 5.783 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.782 4.162 5.877 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.281 4.575 5.073 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.099 3.805 3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.670 2.309 2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.753 3.686 2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.604 2.078 3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.601 1.394 3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.612 1.127 4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.097 2.102 4.997 1.00 0.00 H new ATOM 830 N ARG A 56 -4.271 2.901 8.550 1.00 0.00 N ATOM 831 CA ARG A 56 -3.788 3.537 9.769 1.00 0.00 C ATOM 832 C ARG A 56 -2.474 4.270 9.516 1.00 0.00 C ATOM 833 O ARG A 56 -1.603 3.773 8.802 1.00 0.00 O ATOM 834 CB ARG A 56 -3.599 2.495 10.873 1.00 0.00 C ATOM 835 CG ARG A 56 -2.684 1.348 10.477 1.00 0.00 C ATOM 836 CD ARG A 56 -2.957 0.105 11.311 1.00 0.00 C ATOM 837 NE ARG A 56 -4.359 -0.298 11.249 1.00 0.00 N ATOM 838 CZ ARG A 56 -4.942 -1.073 12.157 1.00 0.00 C ATOM 839 NH1 ARG A 56 -4.247 -1.524 13.192 1.00 0.00 N ATOM 840 NH2 ARG A 56 -6.223 -1.396 12.032 1.00 0.00 N ATOM 0 H ARG A 56 -4.257 1.881 8.572 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.534 4.264 10.089 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.192 2.985 11.757 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.573 2.092 11.152 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.824 1.117 9.421 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.644 1.650 10.602 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.329 -0.713 10.959 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.680 0.296 12.348 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.922 0.034 10.466 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.263 -1.276 13.292 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.697 -2.119 13.888 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.761 -1.049 11.238 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.669 -1.991 12.730 1.00 0.00 H new ATOM 854 N GLN A 57 -2.339 5.453 10.106 1.00 0.00 N ATOM 855 CA GLN A 57 -1.131 6.255 9.944 1.00 0.00 C ATOM 856 C GLN A 57 -0.389 6.396 11.268 1.00 0.00 C ATOM 857 O GLN A 57 -0.859 5.932 12.307 1.00 0.00 O ATOM 858 CB GLN A 57 -1.482 7.637 9.391 1.00 0.00 C ATOM 859 CG GLN A 57 -2.269 7.591 8.091 1.00 0.00 C ATOM 860 CD GLN A 57 -2.762 8.958 7.659 1.00 0.00 C ATOM 861 OE1 GLN A 57 -3.962 9.232 7.677 1.00 0.00 O ATOM 862 NE2 GLN A 57 -1.836 9.825 7.268 1.00 0.00 N ATOM 0 H GLN A 57 -3.051 5.878 10.700 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.478 5.744 9.237 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.061 8.181 10.137 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.562 8.199 9.229 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.641 7.170 7.305 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.122 6.922 8.210 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.852 9.556 7.269 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.108 10.761 6.967 1.00 0.00 H new ATOM 871 N ASP A 58 0.771 7.041 11.225 1.00 0.00 N ATOM 872 CA ASP A 58 1.579 7.244 12.422 1.00 0.00 C ATOM 873 C ASP A 58 2.650 8.303 12.181 1.00 0.00 C ATOM 874 O ASP A 58 3.651 8.047 11.512 1.00 0.00 O ATOM 875 CB ASP A 58 2.230 5.930 12.854 1.00 0.00 C ATOM 876 CG ASP A 58 2.749 5.981 14.277 1.00 0.00 C ATOM 877 OD1 ASP A 58 2.012 6.467 15.160 1.00 0.00 O ATOM 878 OD2 ASP A 58 3.893 5.535 14.508 1.00 0.00 O ATOM 0 H ASP A 58 1.173 7.433 10.374 1.00 0.00 H new ATOM 0 HA ASP A 58 0.922 7.592 13.219 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.504 5.122 12.764 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.053 5.696 12.178 1.00 0.00 H new ATOM 883 N GLY A 59 2.433 9.494 12.731 1.00 0.00 N ATOM 884 CA GLY A 59 3.388 10.574 12.564 1.00 0.00 C ATOM 885 C GLY A 59 4.085 10.528 11.218 1.00 0.00 C ATOM 886 O GLY A 59 5.253 10.150 11.129 1.00 0.00 O ATOM 0 H GLY A 59 1.613 9.730 13.289 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.874 11.529 12.671 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.133 10.522 13.358 1.00 0.00 H new ATOM 890 N ALA A 60 3.367 10.912 10.168 1.00 0.00 N ATOM 891 CA ALA A 60 3.924 10.914 8.821 1.00 0.00 C ATOM 892 C ALA A 60 4.324 9.507 8.391 1.00 0.00 C ATOM 893 O ALA A 60 5.441 9.283 7.924 1.00 0.00 O ATOM 894 CB ALA A 60 5.120 11.851 8.745 1.00 0.00 C ATOM 0 H ALA A 60 2.398 11.226 10.224 1.00 0.00 H new ATOM 0 HA ALA A 60 3.154 11.270 8.137 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.525 11.842 7.733 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.806 12.863 9.001 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.886 11.520 9.446 1.00 0.00 H new ATOM 900 N VAL A 61 3.405 8.560 8.552 1.00 0.00 N ATOM 901 CA VAL A 61 3.662 7.174 8.180 1.00 0.00 C ATOM 902 C VAL A 61 2.360 6.421 7.932 1.00 0.00 C ATOM 903 O VAL A 61 1.646 6.067 8.872 1.00 0.00 O ATOM 904 CB VAL A 61 4.466 6.440 9.270 1.00 0.00 C ATOM 905 CG1 VAL A 61 4.838 5.039 8.807 1.00 0.00 C ATOM 906 CG2 VAL A 61 5.709 7.235 9.640 1.00 0.00 C ATOM 0 H VAL A 61 2.476 8.728 8.938 1.00 0.00 H new ATOM 0 HA VAL A 61 4.247 7.197 7.260 1.00 0.00 H new ATOM 0 HB VAL A 61 3.842 6.349 10.159 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.405 4.536 9.590 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.931 4.473 8.595 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.444 5.103 7.904 1.00 0.00 H new ATOM 0 HG21 VAL A 61 6.265 6.702 10.411 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.338 7.358 8.758 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.415 8.215 10.016 1.00 0.00 H new ATOM 916 N CYS A 62 2.056 6.178 6.662 1.00 0.00 N ATOM 917 CA CYS A 62 0.839 5.467 6.289 1.00 0.00 C ATOM 918 C CYS A 62 1.118 3.981 6.083 1.00 0.00 C ATOM 919 O CYS A 62 2.210 3.598 5.665 1.00 0.00 O ATOM 920 CB CYS A 62 0.242 6.067 5.015 1.00 0.00 C ATOM 921 SG CYS A 62 0.183 7.874 5.008 1.00 0.00 S ATOM 0 H CYS A 62 2.636 6.463 5.873 1.00 0.00 H new ATOM 0 HA CYS A 62 0.122 5.574 7.103 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.826 5.730 4.159 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -0.769 5.681 4.883 1.00 0.00 H new ATOM 0 HG CYS A 62 0.883 8.327 4.011 1.00 0.00 H new ATOM 927 N GLU A 63 0.124 3.151 6.383 1.00 0.00 N ATOM 928 CA GLU A 63 0.265 1.707 6.233 1.00 0.00 C ATOM 929 C GLU A 63 -1.030 1.084 5.720 1.00 0.00 C ATOM 930 O GLU A 63 -2.066 1.141 6.384 1.00 0.00 O ATOM 931 CB GLU A 63 0.657 1.069 7.567 1.00 0.00 C ATOM 932 CG GLU A 63 2.158 0.978 7.781 1.00 0.00 C ATOM 933 CD GLU A 63 2.551 -0.182 8.675 1.00 0.00 C ATOM 934 OE1 GLU A 63 2.107 -0.209 9.842 1.00 0.00 O ATOM 935 OE2 GLU A 63 3.303 -1.063 8.208 1.00 0.00 O ATOM 0 H GLU A 63 -0.786 3.453 6.731 1.00 0.00 H new ATOM 0 HA GLU A 63 1.052 1.519 5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.217 1.647 8.380 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.230 0.068 7.621 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.653 0.872 6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.515 1.909 8.222 1.00 0.00 H new ATOM 942 N LEU A 64 -0.965 0.491 4.533 1.00 0.00 N ATOM 943 CA LEU A 64 -2.132 -0.142 3.929 1.00 0.00 C ATOM 944 C LEU A 64 -2.130 -1.646 4.186 1.00 0.00 C ATOM 945 O LEU A 64 -1.159 -2.336 3.876 1.00 0.00 O ATOM 946 CB LEU A 64 -2.162 0.129 2.424 1.00 0.00 C ATOM 947 CG LEU A 64 -3.116 -0.740 1.604 1.00 0.00 C ATOM 948 CD1 LEU A 64 -4.534 -0.634 2.145 1.00 0.00 C ATOM 949 CD2 LEU A 64 -3.072 -0.342 0.136 1.00 0.00 C ATOM 0 H LEU A 64 -0.116 0.435 3.970 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.024 0.285 4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.430 1.174 2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.154 -0.003 2.031 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.794 -1.778 1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.199 -1.259 1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.554 -0.969 3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.867 0.403 2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.757 -0.971 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.368 0.702 0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.059 -0.471 -0.246 1.00 0.00 H new ATOM 961 N GLN A 65 -3.223 -2.146 4.752 1.00 0.00 N ATOM 962 CA GLN A 65 -3.347 -3.568 5.049 1.00 0.00 C ATOM 963 C GLN A 65 -4.510 -4.185 4.280 1.00 0.00 C ATOM 964 O GLN A 65 -5.671 -3.849 4.516 1.00 0.00 O ATOM 965 CB GLN A 65 -3.542 -3.782 6.551 1.00 0.00 C ATOM 966 CG GLN A 65 -3.251 -5.203 7.007 1.00 0.00 C ATOM 967 CD GLN A 65 -3.572 -5.423 8.472 1.00 0.00 C ATOM 968 OE1 GLN A 65 -4.689 -5.803 8.825 1.00 0.00 O ATOM 969 NE2 GLN A 65 -2.591 -5.186 9.335 1.00 0.00 N ATOM 0 H GLN A 65 -4.035 -1.588 5.014 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.426 -4.060 4.736 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.893 -3.095 7.094 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.568 -3.528 6.815 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.832 -5.900 6.403 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.199 -5.429 6.832 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.681 -4.872 8.999 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.748 -5.318 10.334 1.00 0.00 H new ATOM 978 N ILE A 66 -4.191 -5.089 3.360 1.00 0.00 N ATOM 979 CA ILE A 66 -5.210 -5.753 2.557 1.00 0.00 C ATOM 980 C ILE A 66 -5.233 -7.253 2.830 1.00 0.00 C ATOM 981 O ILE A 66 -4.303 -7.975 2.469 1.00 0.00 O ATOM 982 CB ILE A 66 -4.981 -5.521 1.052 1.00 0.00 C ATOM 983 CG1 ILE A 66 -5.341 -4.082 0.675 1.00 0.00 C ATOM 984 CG2 ILE A 66 -5.798 -6.508 0.233 1.00 0.00 C ATOM 985 CD1 ILE A 66 -4.973 -3.719 -0.746 1.00 0.00 C ATOM 0 H ILE A 66 -3.235 -5.378 3.152 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.168 -5.319 2.842 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.926 -5.682 0.832 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.412 -3.936 0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.836 -3.399 1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.625 -6.331 -0.829 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.498 -7.525 0.485 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.857 -6.376 0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.257 -2.685 -0.943 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.898 -3.832 -0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.498 -4.378 -1.438 1.00 0.00 H new ATOM 997 N CYS A 67 -6.303 -7.716 3.468 1.00 0.00 N ATOM 998 CA CYS A 67 -6.449 -9.132 3.789 1.00 0.00 C ATOM 999 C CYS A 67 -6.970 -9.911 2.586 1.00 0.00 C ATOM 1000 O CYS A 67 -7.420 -9.326 1.602 1.00 0.00 O ATOM 1001 CB CYS A 67 -7.394 -9.312 4.977 1.00 0.00 C ATOM 1002 SG CYS A 67 -7.246 -10.914 5.803 1.00 0.00 S ATOM 0 H CYS A 67 -7.082 -7.132 3.773 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.466 -9.523 4.054 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.202 -8.522 5.703 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.421 -9.186 4.633 1.00 0.00 H new ATOM 0 HG CYS A 67 -8.084 -10.970 6.795 1.00 0.00 H new ATOM 1008 N GLY A 68 -6.904 -11.236 2.672 1.00 0.00 N ATOM 1009 CA GLY A 68 -7.372 -12.074 1.583 1.00 0.00 C ATOM 1010 C GLY A 68 -6.696 -11.744 0.267 1.00 0.00 C ATOM 1011 O GLY A 68 -7.364 -11.449 -0.725 1.00 0.00 O ATOM 0 H GLY A 68 -6.535 -11.744 3.476 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.190 -13.120 1.829 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.450 -11.955 1.474 1.00 0.00 H new ATOM 1015 N LEU A 69 -5.369 -11.792 0.256 1.00 0.00 N ATOM 1016 CA LEU A 69 -4.602 -11.495 -0.948 1.00 0.00 C ATOM 1017 C LEU A 69 -4.948 -12.470 -2.069 1.00 0.00 C ATOM 1018 O LEU A 69 -5.549 -13.516 -1.831 1.00 0.00 O ATOM 1019 CB LEU A 69 -3.103 -11.554 -0.650 1.00 0.00 C ATOM 1020 CG LEU A 69 -2.509 -10.331 0.049 1.00 0.00 C ATOM 1021 CD1 LEU A 69 -1.084 -10.613 0.499 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -2.549 -9.119 -0.871 1.00 0.00 C ATOM 0 H LEU A 69 -4.801 -12.034 1.068 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.862 -10.488 -1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.910 -12.430 -0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.572 -11.704 -1.590 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.111 -10.113 0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.678 -9.731 0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.081 -11.453 1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.470 -10.857 -0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.122 -8.258 -0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.972 -9.327 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.582 -8.903 -1.144 1.00 0.00 H new ATOM 1034 N ALA A 70 -4.562 -12.119 -3.292 1.00 0.00 N ATOM 1035 CA ALA A 70 -4.827 -12.965 -4.448 1.00 0.00 C ATOM 1036 C ALA A 70 -3.893 -12.624 -5.604 1.00 0.00 C ATOM 1037 O ALA A 70 -3.751 -11.460 -5.978 1.00 0.00 O ATOM 1038 CB ALA A 70 -6.279 -12.825 -4.882 1.00 0.00 C ATOM 0 H ALA A 70 -4.065 -11.255 -3.507 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.643 -14.000 -4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.463 -13.462 -5.747 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.934 -13.125 -4.064 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.481 -11.787 -5.147 1.00 0.00 H new ATOM 1044 N VAL A 71 -3.256 -13.647 -6.166 1.00 0.00 N ATOM 1045 CA VAL A 71 -2.335 -13.455 -7.280 1.00 0.00 C ATOM 1046 C VAL A 71 -2.862 -12.410 -8.256 1.00 0.00 C ATOM 1047 O VAL A 71 -2.091 -11.755 -8.957 1.00 0.00 O ATOM 1048 CB VAL A 71 -2.090 -14.773 -8.039 1.00 0.00 C ATOM 1049 CG1 VAL A 71 -1.274 -14.521 -9.297 1.00 0.00 C ATOM 1050 CG2 VAL A 71 -1.398 -15.785 -7.138 1.00 0.00 C ATOM 0 H VAL A 71 -3.361 -14.617 -5.868 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.393 -13.108 -6.855 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.054 -15.185 -8.337 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.111 -15.463 -9.820 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.813 -13.833 -9.949 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.312 -14.086 -9.026 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.233 -16.710 -7.690 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.440 -15.383 -6.808 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.025 -15.988 -6.270 1.00 0.00 H new ATOM 1060 N ALA A 72 -4.182 -12.258 -8.295 1.00 0.00 N ATOM 1061 CA ALA A 72 -4.813 -11.290 -9.184 1.00 0.00 C ATOM 1062 C ALA A 72 -4.631 -9.868 -8.664 1.00 0.00 C ATOM 1063 O ALA A 72 -4.345 -8.949 -9.432 1.00 0.00 O ATOM 1064 CB ALA A 72 -6.292 -11.609 -9.347 1.00 0.00 C ATOM 0 H ALA A 72 -4.835 -12.793 -7.722 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.328 -11.358 -10.158 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.751 -10.878 -10.013 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.404 -12.607 -9.771 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.782 -11.570 -8.374 1.00 0.00 H new ATOM 1070 N ASP A 73 -4.800 -9.694 -7.358 1.00 0.00 N ATOM 1071 CA ASP A 73 -4.653 -8.383 -6.736 1.00 0.00 C ATOM 1072 C ASP A 73 -3.310 -7.758 -7.097 1.00 0.00 C ATOM 1073 O ASP A 73 -3.179 -6.536 -7.158 1.00 0.00 O ATOM 1074 CB ASP A 73 -4.785 -8.499 -5.217 1.00 0.00 C ATOM 1075 CG ASP A 73 -6.173 -8.933 -4.787 1.00 0.00 C ATOM 1076 OD1 ASP A 73 -6.828 -9.669 -5.554 1.00 0.00 O ATOM 1077 OD2 ASP A 73 -6.603 -8.536 -3.684 1.00 0.00 O ATOM 0 H ASP A 73 -5.039 -10.444 -6.709 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.446 -7.737 -7.113 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.052 -9.215 -4.845 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.551 -7.537 -4.761 1.00 0.00 H new ATOM 1082 N ALA A 74 -2.313 -8.604 -7.333 1.00 0.00 N ATOM 1083 CA ALA A 74 -0.979 -8.135 -7.688 1.00 0.00 C ATOM 1084 C ALA A 74 -1.029 -7.205 -8.896 1.00 0.00 C ATOM 1085 O ALA A 74 -1.926 -7.304 -9.731 1.00 0.00 O ATOM 1086 CB ALA A 74 -0.060 -9.315 -7.965 1.00 0.00 C ATOM 0 H ALA A 74 -2.404 -9.619 -7.285 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.582 -7.571 -6.844 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.932 -8.949 -8.229 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.008 -9.940 -7.074 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.461 -9.903 -8.791 1.00 0.00 H new ATOM 1092 N GLY A 75 -0.057 -6.301 -8.981 1.00 0.00 N ATOM 1093 CA GLY A 75 -0.009 -5.366 -10.090 1.00 0.00 C ATOM 1094 C GLY A 75 0.871 -4.167 -9.800 1.00 0.00 C ATOM 1095 O GLY A 75 2.067 -4.182 -10.091 1.00 0.00 O ATOM 0 H GLY A 75 0.697 -6.200 -8.302 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.362 -5.879 -10.978 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.019 -5.025 -10.318 1.00 0.00 H new ATOM 1099 N GLU A 76 0.279 -3.124 -9.225 1.00 0.00 N ATOM 1100 CA GLU A 76 1.018 -1.911 -8.898 1.00 0.00 C ATOM 1101 C GLU A 76 0.144 -0.936 -8.114 1.00 0.00 C ATOM 1102 O GLU A 76 -0.772 -0.325 -8.665 1.00 0.00 O ATOM 1103 CB GLU A 76 1.531 -1.240 -10.174 1.00 0.00 C ATOM 1104 CG GLU A 76 1.998 0.191 -9.964 1.00 0.00 C ATOM 1105 CD GLU A 76 2.437 0.856 -11.254 1.00 0.00 C ATOM 1106 OE1 GLU A 76 1.564 1.378 -11.979 1.00 0.00 O ATOM 1107 OE2 GLU A 76 3.653 0.855 -11.539 1.00 0.00 O ATOM 0 H GLU A 76 -0.710 -3.095 -8.976 1.00 0.00 H new ATOM 0 HA GLU A 76 1.868 -2.191 -8.276 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.356 -1.827 -10.577 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.739 -1.249 -10.923 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.191 0.771 -9.517 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.826 0.199 -9.255 1.00 0.00 H new ATOM 1114 N TYR A 77 0.434 -0.797 -6.825 1.00 0.00 N ATOM 1115 CA TYR A 77 -0.327 0.101 -5.964 1.00 0.00 C ATOM 1116 C TYR A 77 0.304 1.490 -5.932 1.00 0.00 C ATOM 1117 O TYR A 77 1.475 1.660 -6.269 1.00 0.00 O ATOM 1118 CB TYR A 77 -0.409 -0.467 -4.546 1.00 0.00 C ATOM 1119 CG TYR A 77 -1.248 -1.721 -4.443 1.00 0.00 C ATOM 1120 CD1 TYR A 77 -0.973 -2.830 -5.232 1.00 0.00 C ATOM 1121 CD2 TYR A 77 -2.314 -1.795 -3.555 1.00 0.00 C ATOM 1122 CE1 TYR A 77 -1.738 -3.978 -5.142 1.00 0.00 C ATOM 1123 CE2 TYR A 77 -3.083 -2.939 -3.457 1.00 0.00 C ATOM 1124 CZ TYR A 77 -2.791 -4.027 -4.253 1.00 0.00 C ATOM 1125 OH TYR A 77 -3.554 -5.169 -4.159 1.00 0.00 O ATOM 0 H TYR A 77 1.190 -1.294 -6.354 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.334 0.189 -6.372 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.599 -0.684 -4.192 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.823 0.293 -3.883 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.148 -2.795 -5.928 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.545 -0.944 -2.931 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.512 -4.831 -5.764 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.908 -2.981 -2.761 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.515 -5.659 -5.007 1.00 0.00 H new ATOM 1135 N SER A 78 -0.483 2.480 -5.523 1.00 0.00 N ATOM 1136 CA SER A 78 -0.004 3.856 -5.450 1.00 0.00 C ATOM 1137 C SER A 78 -0.643 4.591 -4.275 1.00 0.00 C ATOM 1138 O SER A 78 -1.745 4.254 -3.843 1.00 0.00 O ATOM 1139 CB SER A 78 -0.308 4.595 -6.755 1.00 0.00 C ATOM 1140 OG SER A 78 -0.313 3.703 -7.856 1.00 0.00 O ATOM 0 H SER A 78 -1.454 2.355 -5.237 1.00 0.00 H new ATOM 0 HA SER A 78 1.075 3.832 -5.298 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.276 5.090 -6.679 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.437 5.374 -6.917 1.00 0.00 H new ATOM 0 HG SER A 78 -0.511 4.199 -8.678 1.00 0.00 H new ATOM 1146 N CYS A 79 0.058 5.597 -3.764 1.00 0.00 N ATOM 1147 CA CYS A 79 -0.439 6.381 -2.638 1.00 0.00 C ATOM 1148 C CYS A 79 -0.579 7.851 -3.019 1.00 0.00 C ATOM 1149 O CYS A 79 0.414 8.537 -3.263 1.00 0.00 O ATOM 1150 CB CYS A 79 0.499 6.239 -1.438 1.00 0.00 C ATOM 1151 SG CYS A 79 -0.317 6.438 0.163 1.00 0.00 S ATOM 0 H CYS A 79 0.972 5.889 -4.111 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.424 6.000 -2.367 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.971 5.257 -1.474 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.295 6.979 -1.523 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.546 5.268 0.682 1.00 0.00 H new ATOM 1157 N VAL A 80 -1.818 8.328 -3.070 1.00 0.00 N ATOM 1158 CA VAL A 80 -2.089 9.717 -3.423 1.00 0.00 C ATOM 1159 C VAL A 80 -2.348 10.559 -2.178 1.00 0.00 C ATOM 1160 O VAL A 80 -3.137 10.178 -1.312 1.00 0.00 O ATOM 1161 CB VAL A 80 -3.300 9.831 -4.368 1.00 0.00 C ATOM 1162 CG1 VAL A 80 -3.328 11.196 -5.038 1.00 0.00 C ATOM 1163 CG2 VAL A 80 -3.271 8.719 -5.405 1.00 0.00 C ATOM 0 H VAL A 80 -2.651 7.773 -2.871 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.203 10.092 -3.935 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.211 9.724 -3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.190 11.258 -5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.399 11.973 -4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.415 11.336 -5.616 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.133 8.814 -6.065 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.355 8.793 -5.992 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.303 7.752 -4.903 1.00 0.00 H new ATOM 1173 N CYS A 81 -1.681 11.704 -2.096 1.00 0.00 N ATOM 1174 CA CYS A 81 -1.839 12.601 -0.957 1.00 0.00 C ATOM 1175 C CYS A 81 -2.431 13.938 -1.395 1.00 0.00 C ATOM 1176 O CYS A 81 -3.218 14.547 -0.672 1.00 0.00 O ATOM 1177 CB CYS A 81 -0.493 12.827 -0.268 1.00 0.00 C ATOM 1178 SG CYS A 81 -0.550 14.016 1.093 1.00 0.00 S ATOM 0 H CYS A 81 -1.025 12.034 -2.805 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.526 12.134 -0.251 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -0.127 11.873 0.112 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.228 13.173 -1.008 1.00 0.00 H new ATOM 0 HG CYS A 81 -1.472 13.663 1.939 1.00 0.00 H new ATOM 1184 N GLY A 82 -2.044 14.389 -2.584 1.00 0.00 N ATOM 1185 CA GLY A 82 -2.544 15.651 -3.097 1.00 0.00 C ATOM 1186 C GLY A 82 -2.059 15.937 -4.505 1.00 0.00 C ATOM 1187 O GLY A 82 -2.791 15.732 -5.473 1.00 0.00 O ATOM 0 H GLY A 82 -1.393 13.903 -3.201 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.634 15.638 -3.087 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.229 16.459 -2.436 1.00 0.00 H new ATOM 1191 N GLU A 83 -0.824 16.414 -4.619 1.00 0.00 N ATOM 1192 CA GLU A 83 -0.245 16.731 -5.919 1.00 0.00 C ATOM 1193 C GLU A 83 0.721 15.637 -6.366 1.00 0.00 C ATOM 1194 O GLU A 83 0.835 15.345 -7.555 1.00 0.00 O ATOM 1195 CB GLU A 83 0.482 18.077 -5.864 1.00 0.00 C ATOM 1196 CG GLU A 83 -0.401 19.227 -5.408 1.00 0.00 C ATOM 1197 CD GLU A 83 0.170 20.582 -5.777 1.00 0.00 C ATOM 1198 OE1 GLU A 83 1.370 20.811 -5.518 1.00 0.00 O ATOM 1199 OE2 GLU A 83 -0.584 21.413 -6.325 1.00 0.00 O ATOM 0 H GLU A 83 -0.205 16.589 -3.827 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.057 16.794 -6.644 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.333 17.993 -5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.881 18.306 -6.852 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.390 19.120 -5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.531 19.174 -4.327 1.00 0.00 H new ATOM 1206 N GLU A 84 1.414 15.038 -5.402 1.00 0.00 N ATOM 1207 CA GLU A 84 2.371 13.978 -5.697 1.00 0.00 C ATOM 1208 C GLU A 84 1.812 12.615 -5.300 1.00 0.00 C ATOM 1209 O GLU A 84 0.989 12.511 -4.391 1.00 0.00 O ATOM 1210 CB GLU A 84 3.690 14.233 -4.965 1.00 0.00 C ATOM 1211 CG GLU A 84 3.519 14.938 -3.630 1.00 0.00 C ATOM 1212 CD GLU A 84 2.431 14.316 -2.777 1.00 0.00 C ATOM 1213 OE1 GLU A 84 2.694 13.263 -2.158 1.00 0.00 O ATOM 1214 OE2 GLU A 84 1.319 14.880 -2.728 1.00 0.00 O ATOM 0 H GLU A 84 1.331 15.268 -4.412 1.00 0.00 H new ATOM 0 HA GLU A 84 2.554 13.978 -6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.195 13.281 -4.801 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.339 14.833 -5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.463 14.910 -3.085 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.283 15.988 -3.805 1.00 0.00 H new ATOM 1221 N ARG A 85 2.265 11.573 -5.989 1.00 0.00 N ATOM 1222 CA ARG A 85 1.809 10.216 -5.711 1.00 0.00 C ATOM 1223 C ARG A 85 2.906 9.201 -6.016 1.00 0.00 C ATOM 1224 O ARG A 85 3.566 9.276 -7.054 1.00 0.00 O ATOM 1225 CB ARG A 85 0.560 9.896 -6.533 1.00 0.00 C ATOM 1226 CG ARG A 85 0.105 8.451 -6.412 1.00 0.00 C ATOM 1227 CD ARG A 85 -0.661 8.002 -7.647 1.00 0.00 C ATOM 1228 NE ARG A 85 0.233 7.628 -8.739 1.00 0.00 N ATOM 1229 CZ ARG A 85 -0.191 7.179 -9.915 1.00 0.00 C ATOM 1230 NH1 ARG A 85 -1.490 7.050 -10.150 1.00 0.00 N ATOM 1231 NH2 ARG A 85 0.684 6.859 -10.859 1.00 0.00 N ATOM 0 H ARG A 85 2.947 11.642 -6.744 1.00 0.00 H new ATOM 0 HA ARG A 85 1.563 10.152 -4.651 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.251 10.551 -6.216 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.758 10.119 -7.581 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.972 7.807 -6.266 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.527 8.340 -5.531 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.296 7.154 -7.391 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.320 8.805 -7.977 1.00 0.00 H new ATOM 0 HE ARG A 85 1.238 7.716 -8.591 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.166 7.296 -9.427 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.813 6.705 -11.054 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.684 6.958 -10.682 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.357 6.514 -11.762 1.00 0.00 H new ATOM 1245 N THR A 86 3.097 8.251 -5.106 1.00 0.00 N ATOM 1246 CA THR A 86 4.115 7.221 -5.277 1.00 0.00 C ATOM 1247 C THR A 86 3.485 5.879 -5.628 1.00 0.00 C ATOM 1248 O THR A 86 2.343 5.602 -5.260 1.00 0.00 O ATOM 1249 CB THR A 86 4.968 7.058 -4.005 1.00 0.00 C ATOM 1250 OG1 THR A 86 5.953 6.038 -4.203 1.00 0.00 O ATOM 1251 CG2 THR A 86 4.095 6.702 -2.810 1.00 0.00 C ATOM 0 H THR A 86 2.560 8.173 -4.242 1.00 0.00 H new ATOM 0 HA THR A 86 4.757 7.544 -6.097 1.00 0.00 H new ATOM 0 HB THR A 86 5.464 8.007 -3.803 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.540 5.157 -4.084 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.719 6.592 -1.923 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.365 7.494 -2.644 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.575 5.764 -3.006 1.00 0.00 H new ATOM 1259 N SER A 87 4.236 5.047 -6.343 1.00 0.00 N ATOM 1260 CA SER A 87 3.749 3.733 -6.747 1.00 0.00 C ATOM 1261 C SER A 87 4.725 2.639 -6.324 1.00 0.00 C ATOM 1262 O SER A 87 5.921 2.883 -6.171 1.00 0.00 O ATOM 1263 CB SER A 87 3.539 3.687 -8.262 1.00 0.00 C ATOM 1264 OG SER A 87 4.625 4.289 -8.945 1.00 0.00 O ATOM 0 H SER A 87 5.184 5.260 -6.654 1.00 0.00 H new ATOM 0 HA SER A 87 2.795 3.557 -6.250 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.430 2.652 -8.586 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.613 4.201 -8.520 1.00 0.00 H new ATOM 0 HG SER A 87 4.468 4.246 -9.911 1.00 0.00 H new ATOM 1270 N ALA A 88 4.204 1.430 -6.137 1.00 0.00 N ATOM 1271 CA ALA A 88 5.027 0.297 -5.734 1.00 0.00 C ATOM 1272 C ALA A 88 4.469 -1.011 -6.284 1.00 0.00 C ATOM 1273 O ALA A 88 3.387 -1.450 -5.892 1.00 0.00 O ATOM 1274 CB ALA A 88 5.130 0.233 -4.217 1.00 0.00 C ATOM 0 H ALA A 88 3.215 1.211 -6.258 1.00 0.00 H new ATOM 0 HA ALA A 88 6.025 0.438 -6.150 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.748 -0.618 -3.930 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.582 1.152 -3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.134 0.119 -3.789 1.00 0.00 H new ATOM 1280 N THR A 89 5.213 -1.630 -7.195 1.00 0.00 N ATOM 1281 CA THR A 89 4.791 -2.886 -7.801 1.00 0.00 C ATOM 1282 C THR A 89 4.682 -3.991 -6.756 1.00 0.00 C ATOM 1283 O THR A 89 5.675 -4.372 -6.135 1.00 0.00 O ATOM 1284 CB THR A 89 5.768 -3.334 -8.905 1.00 0.00 C ATOM 1285 OG1 THR A 89 5.988 -2.262 -9.828 1.00 0.00 O ATOM 1286 CG2 THR A 89 5.227 -4.546 -9.647 1.00 0.00 C ATOM 0 H THR A 89 6.111 -1.281 -7.529 1.00 0.00 H new ATOM 0 HA THR A 89 3.811 -2.710 -8.244 1.00 0.00 H new ATOM 0 HB THR A 89 6.713 -3.608 -8.435 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.611 -2.554 -10.526 1.00 0.00 H new ATOM 0 HG21 THR A 89 5.934 -4.844 -10.421 1.00 0.00 H new ATOM 0 HG22 THR A 89 5.088 -5.369 -8.946 1.00 0.00 H new ATOM 0 HG23 THR A 89 4.271 -4.295 -10.106 1.00 0.00 H new ATOM 1294 N LEU A 90 3.471 -4.503 -6.567 1.00 0.00 N ATOM 1295 CA LEU A 90 3.232 -5.566 -5.597 1.00 0.00 C ATOM 1296 C LEU A 90 3.156 -6.925 -6.286 1.00 0.00 C ATOM 1297 O LEU A 90 2.306 -7.150 -7.148 1.00 0.00 O ATOM 1298 CB LEU A 90 1.938 -5.299 -4.827 1.00 0.00 C ATOM 1299 CG LEU A 90 1.377 -6.476 -4.028 1.00 0.00 C ATOM 1300 CD1 LEU A 90 2.314 -6.840 -2.887 1.00 0.00 C ATOM 1301 CD2 LEU A 90 -0.010 -6.148 -3.497 1.00 0.00 C ATOM 0 H LEU A 90 2.639 -4.199 -7.073 1.00 0.00 H new ATOM 0 HA LEU A 90 4.068 -5.580 -4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.112 -4.470 -4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.178 -4.972 -5.536 1.00 0.00 H new ATOM 0 HG LEU A 90 1.295 -7.336 -4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.899 -7.679 -2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.288 -7.118 -3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.428 -5.984 -2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.393 -6.997 -2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.046 -5.275 -2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.679 -5.937 -4.332 1.00 0.00 H new ATOM 1313 N THR A 91 4.050 -7.829 -5.898 1.00 0.00 N ATOM 1314 CA THR A 91 4.084 -9.166 -6.477 1.00 0.00 C ATOM 1315 C THR A 91 3.491 -10.195 -5.521 1.00 0.00 C ATOM 1316 O THR A 91 3.925 -10.315 -4.375 1.00 0.00 O ATOM 1317 CB THR A 91 5.522 -9.586 -6.837 1.00 0.00 C ATOM 1318 OG1 THR A 91 6.072 -8.676 -7.796 1.00 0.00 O ATOM 1319 CG2 THR A 91 5.548 -11.000 -7.398 1.00 0.00 C ATOM 0 H THR A 91 4.760 -7.659 -5.185 1.00 0.00 H new ATOM 0 HA THR A 91 3.485 -9.131 -7.387 1.00 0.00 H new ATOM 0 HB THR A 91 6.123 -9.562 -5.928 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.987 -8.949 -8.018 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.574 -11.275 -7.645 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.156 -11.694 -6.654 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.934 -11.046 -8.297 1.00 0.00 H new ATOM 1327 N VAL A 92 2.497 -10.937 -5.999 1.00 0.00 N ATOM 1328 CA VAL A 92 1.845 -11.957 -5.186 1.00 0.00 C ATOM 1329 C VAL A 92 2.352 -13.350 -5.543 1.00 0.00 C ATOM 1330 O VAL A 92 2.621 -13.646 -6.707 1.00 0.00 O ATOM 1331 CB VAL A 92 0.315 -11.919 -5.359 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -0.338 -13.052 -4.582 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -0.237 -10.572 -4.920 1.00 0.00 C ATOM 0 H VAL A 92 2.126 -10.851 -6.945 1.00 0.00 H new ATOM 0 HA VAL A 92 2.091 -11.739 -4.147 1.00 0.00 H new ATOM 0 HB VAL A 92 0.082 -12.054 -6.415 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.419 -13.009 -4.716 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.036 -14.008 -4.949 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.099 -12.952 -3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.319 -10.563 -5.049 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.005 -10.404 -3.870 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.207 -9.782 -5.525 1.00 0.00 H new ATOM 1343 N LYS A 93 2.480 -14.203 -4.532 1.00 0.00 N ATOM 1344 CA LYS A 93 2.953 -15.567 -4.738 1.00 0.00 C ATOM 1345 C LYS A 93 1.825 -16.572 -4.527 1.00 0.00 C ATOM 1346 O LYS A 93 0.765 -16.228 -4.005 1.00 0.00 O ATOM 1347 CB LYS A 93 4.111 -15.876 -3.785 1.00 0.00 C ATOM 1348 CG LYS A 93 5.359 -15.056 -4.058 1.00 0.00 C ATOM 1349 CD LYS A 93 6.036 -15.484 -5.349 1.00 0.00 C ATOM 1350 CE LYS A 93 5.713 -14.533 -6.491 1.00 0.00 C ATOM 1351 NZ LYS A 93 6.298 -14.994 -7.780 1.00 0.00 N ATOM 0 H LYS A 93 2.263 -13.974 -3.562 1.00 0.00 H new ATOM 0 HA LYS A 93 3.304 -15.652 -5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.785 -15.696 -2.761 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.359 -16.935 -3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.096 -14.000 -4.117 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.056 -15.165 -3.227 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.115 -15.521 -5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.715 -16.492 -5.612 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.632 -14.444 -6.594 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.093 -13.539 -6.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.055 -14.319 -8.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.332 -15.055 -7.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.916 -15.931 -8.019 1.00 0.00 H new ATOM 1365 N ALA A 94 2.061 -17.814 -4.935 1.00 0.00 N ATOM 1366 CA ALA A 94 1.066 -18.869 -4.787 1.00 0.00 C ATOM 1367 C ALA A 94 1.296 -19.665 -3.507 1.00 0.00 C ATOM 1368 O ALA A 94 2.306 -20.357 -3.367 1.00 0.00 O ATOM 1369 CB ALA A 94 1.092 -19.792 -5.997 1.00 0.00 C ATOM 0 H ALA A 94 2.933 -18.115 -5.371 1.00 0.00 H new ATOM 0 HA ALA A 94 0.084 -18.401 -4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.344 -20.575 -5.873 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.871 -19.218 -6.897 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.079 -20.244 -6.088 1.00 0.00 H new