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 78 SER OG : rot 180:sc= -0.0583 USER MOD Set 1.2: A 87 SER OG : rot -120:sc= -0.135 USER MOD Set 2.1: A 57 GLN : amide:sc= 0.39 X(o=-0.46,f=-0.6) USER MOD Set 2.2: A 62 CYS SG : rot 120:sc= -0.85 USER MOD Set 3.1: A 30 CYS SG : rot 100:sc= -1.26 USER MOD Set 3.2: A 79 CYS SG : rot -166:sc= -0.463 USER MOD Set 4.1: A 25 THR OG1 : rot -117:sc= 0.309 USER MOD Set 4.2: A 67 CYS SG : rot -140:sc= -1.11 USER MOD Set 5.1: A 18 GLN : amide:sc= -3.56 K(o=-3.6,f=-2.8!) USER MOD Set 5.2: A 20 SER OG : rot -150:sc= 0 USER MOD Set 6.1: A 10 HIS : no HD1:sc= -4.33! C(o=-4.5!,f=-2.5!) USER MOD Set 6.2: A 33 SER OG : rot -140:sc= -0.166 USER MOD Single : A 17 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-0.45) 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+ 145:sc= -0.0643 (180deg=-0.0906) USER MOD Single : A 46 SER OG : rot 63:sc= 0.0456 USER MOD Single : A 53 HIS : no HD1:sc= -0.357 X(o=-0.36,f=-0.19) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 77 TYR OH : rot 180:sc=-0.00455 USER MOD Single : A 81 CYS SG : rot -22:sc= -1.93 USER MOD Single : A 86 THR OG1 : rot -81:sc= -0.0852 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+ 155:sc= 0.62 (180deg=0.242) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 0.842 20.560 -0.175 1.00 0.00 N ATOM 67 CA PRO A 8 0.666 19.395 0.698 1.00 0.00 C ATOM 68 C PRO A 8 1.991 18.724 1.043 1.00 0.00 C ATOM 69 O PRO A 8 3.058 19.201 0.660 1.00 0.00 O ATOM 70 CB PRO A 8 -0.208 18.455 -0.137 1.00 0.00 C ATOM 71 CG PRO A 8 0.067 18.839 -1.550 1.00 0.00 C ATOM 72 CD PRO A 8 0.330 20.319 -1.534 1.00 0.00 C ATOM 0 HA PRO A 8 0.227 19.667 1.658 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.046 17.411 0.046 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.264 18.574 0.108 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.926 18.294 -1.942 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.782 18.600 -2.191 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.057 20.606 -2.294 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.578 20.890 -1.729 1.00 0.00 H new ATOM 80 N ALA A 9 1.915 17.613 1.769 1.00 0.00 N ATOM 81 CA ALA A 9 3.108 16.875 2.163 1.00 0.00 C ATOM 82 C ALA A 9 3.739 16.171 0.967 1.00 0.00 C ATOM 83 O ALA A 9 3.088 15.377 0.287 1.00 0.00 O ATOM 84 CB ALA A 9 2.770 15.867 3.252 1.00 0.00 C ATOM 0 H ALA A 9 1.039 17.205 2.096 1.00 0.00 H new ATOM 0 HA ALA A 9 3.833 17.589 2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.671 15.323 3.536 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.372 16.390 4.122 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.025 15.165 2.879 1.00 0.00 H new ATOM 90 N HIS A 10 5.010 16.467 0.714 1.00 0.00 N ATOM 91 CA HIS A 10 5.729 15.862 -0.402 1.00 0.00 C ATOM 92 C HIS A 10 6.342 14.527 0.007 1.00 0.00 C ATOM 93 O HIS A 10 7.238 14.476 0.851 1.00 0.00 O ATOM 94 CB HIS A 10 6.821 16.806 -0.904 1.00 0.00 C ATOM 95 CG HIS A 10 7.724 17.309 0.180 1.00 0.00 C ATOM 96 ND1 HIS A 10 7.550 18.529 0.799 1.00 0.00 N ATOM 97 CD2 HIS A 10 8.812 16.748 0.757 1.00 0.00 C ATOM 98 CE1 HIS A 10 8.494 18.697 1.708 1.00 0.00 C ATOM 99 NE2 HIS A 10 9.272 17.630 1.703 1.00 0.00 N ATOM 0 H HIS A 10 5.563 17.122 1.267 1.00 0.00 H new ATOM 0 HA HIS A 10 5.016 15.683 -1.207 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.420 16.289 -1.654 1.00 0.00 H new ATOM 0 HB3 HIS A 10 6.354 17.657 -1.400 1.00 0.00 H new ATOM 0 HD2 HIS A 10 9.239 15.785 0.518 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.610 19.560 2.347 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.083 17.485 2.304 1.00 0.00 H new ATOM 108 N PHE A 11 5.855 13.447 -0.595 1.00 0.00 N ATOM 109 CA PHE A 11 6.354 12.111 -0.292 1.00 0.00 C ATOM 110 C PHE A 11 7.879 12.100 -0.235 1.00 0.00 C ATOM 111 O PHE A 11 8.549 12.268 -1.254 1.00 0.00 O ATOM 112 CB PHE A 11 5.864 11.110 -1.340 1.00 0.00 C ATOM 113 CG PHE A 11 4.482 10.588 -1.070 1.00 0.00 C ATOM 114 CD1 PHE A 11 3.369 11.239 -1.577 1.00 0.00 C ATOM 115 CD2 PHE A 11 4.296 9.444 -0.310 1.00 0.00 C ATOM 116 CE1 PHE A 11 2.097 10.761 -1.330 1.00 0.00 C ATOM 117 CE2 PHE A 11 3.025 8.961 -0.060 1.00 0.00 C ATOM 118 CZ PHE A 11 1.924 9.619 -0.571 1.00 0.00 C ATOM 0 H PHE A 11 5.115 13.471 -1.296 1.00 0.00 H new ATOM 0 HA PHE A 11 5.969 11.820 0.685 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.879 11.586 -2.320 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.559 10.271 -1.382 1.00 0.00 H new ATOM 0 HD1 PHE A 11 3.498 12.131 -2.172 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.153 8.924 0.091 1.00 0.00 H new ATOM 0 HE1 PHE A 11 1.238 11.279 -1.730 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.893 8.069 0.535 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.930 9.242 -0.378 1.00 0.00 H new ATOM 128 N ILE A 12 8.419 11.903 0.962 1.00 0.00 N ATOM 129 CA ILE A 12 9.864 11.870 1.152 1.00 0.00 C ATOM 130 C ILE A 12 10.402 10.449 1.026 1.00 0.00 C ATOM 131 O ILE A 12 11.540 10.240 0.608 1.00 0.00 O ATOM 132 CB ILE A 12 10.264 12.438 2.526 1.00 0.00 C ATOM 133 CG1 ILE A 12 9.593 11.642 3.647 1.00 0.00 C ATOM 134 CG2 ILE A 12 9.892 13.911 2.619 1.00 0.00 C ATOM 135 CD1 ILE A 12 10.108 11.989 5.027 1.00 0.00 C ATOM 0 H ILE A 12 7.878 11.764 1.815 1.00 0.00 H new ATOM 0 HA ILE A 12 10.300 12.492 0.370 1.00 0.00 H new ATOM 0 HB ILE A 12 11.344 12.348 2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.518 11.819 3.614 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.746 10.578 3.468 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.181 14.298 3.596 1.00 0.00 H new ATOM 0 HG22 ILE A 12 10.412 14.468 1.840 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.816 14.023 2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.588 11.387 5.772 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.178 11.785 5.078 1.00 0.00 H new ATOM 0 HD13 ILE A 12 9.930 13.046 5.227 1.00 0.00 H new ATOM 147 N GLY A 13 9.575 9.474 1.389 1.00 0.00 N ATOM 148 CA GLY A 13 9.985 8.084 1.308 1.00 0.00 C ATOM 149 C GLY A 13 9.048 7.252 0.454 1.00 0.00 C ATOM 150 O GLY A 13 8.057 6.716 0.951 1.00 0.00 O ATOM 0 H GLY A 13 8.628 9.622 1.738 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.993 8.029 0.896 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.028 7.662 2.312 1.00 0.00 H new ATOM 154 N ARG A 14 9.361 7.145 -0.833 1.00 0.00 N ATOM 155 CA ARG A 14 8.538 6.375 -1.757 1.00 0.00 C ATOM 156 C ARG A 14 8.385 4.934 -1.279 1.00 0.00 C ATOM 157 O ARG A 14 9.275 4.388 -0.626 1.00 0.00 O ATOM 158 CB ARG A 14 9.151 6.396 -3.159 1.00 0.00 C ATOM 159 CG ARG A 14 9.340 7.795 -3.720 1.00 0.00 C ATOM 160 CD ARG A 14 8.103 8.265 -4.471 1.00 0.00 C ATOM 161 NE ARG A 14 8.423 9.281 -5.471 1.00 0.00 N ATOM 162 CZ ARG A 14 7.521 10.097 -6.004 1.00 0.00 C ATOM 163 NH1 ARG A 14 6.250 10.018 -5.635 1.00 0.00 N ATOM 164 NH2 ARG A 14 7.890 10.995 -6.909 1.00 0.00 N ATOM 0 H ARG A 14 10.178 7.582 -1.259 1.00 0.00 H new ATOM 0 HA ARG A 14 7.550 6.834 -1.793 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.117 5.891 -3.132 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.512 5.826 -3.834 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.559 8.488 -2.907 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.200 7.807 -4.389 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.629 7.413 -4.959 1.00 0.00 H new ATOM 0 HD3 ARG A 14 7.380 8.669 -3.762 1.00 0.00 H new ATOM 0 HE ARG A 14 9.392 9.368 -5.776 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.963 9.329 -4.940 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.560 10.646 -6.046 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.867 11.059 -7.195 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.197 11.621 -7.318 1.00 0.00 H new ATOM 178 N LEU A 15 7.251 4.324 -1.607 1.00 0.00 N ATOM 179 CA LEU A 15 6.981 2.947 -1.210 1.00 0.00 C ATOM 180 C LEU A 15 8.122 2.026 -1.628 1.00 0.00 C ATOM 181 O LEU A 15 9.135 2.479 -2.162 1.00 0.00 O ATOM 182 CB LEU A 15 5.668 2.465 -1.831 1.00 0.00 C ATOM 183 CG LEU A 15 4.390 3.084 -1.264 1.00 0.00 C ATOM 184 CD1 LEU A 15 3.310 3.151 -2.332 1.00 0.00 C ATOM 185 CD2 LEU A 15 3.903 2.293 -0.059 1.00 0.00 C ATOM 0 H LEU A 15 6.504 4.761 -2.147 1.00 0.00 H new ATOM 0 HA LEU A 15 6.895 2.918 -0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.701 2.666 -2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.608 1.383 -1.711 1.00 0.00 H new ATOM 0 HG LEU A 15 4.615 4.100 -0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.408 3.594 -1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.659 3.762 -3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.088 2.145 -2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.993 2.748 0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.696 1.265 -0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.671 2.298 0.714 1.00 0.00 H new ATOM 197 N ARG A 16 7.951 0.731 -1.383 1.00 0.00 N ATOM 198 CA ARG A 16 8.967 -0.254 -1.735 1.00 0.00 C ATOM 199 C ARG A 16 8.323 -1.571 -2.159 1.00 0.00 C ATOM 200 O ARG A 16 7.641 -2.224 -1.368 1.00 0.00 O ATOM 201 CB ARG A 16 9.909 -0.491 -0.553 1.00 0.00 C ATOM 202 CG ARG A 16 9.187 -0.715 0.766 1.00 0.00 C ATOM 203 CD ARG A 16 8.928 0.597 1.489 1.00 0.00 C ATOM 204 NE ARG A 16 8.909 0.429 2.939 1.00 0.00 N ATOM 205 CZ ARG A 16 7.984 -0.271 3.586 1.00 0.00 C ATOM 206 NH1 ARG A 16 7.007 -0.864 2.915 1.00 0.00 N ATOM 207 NH2 ARG A 16 8.035 -0.378 4.908 1.00 0.00 N ATOM 0 H ARG A 16 7.119 0.339 -0.942 1.00 0.00 H new ATOM 0 HA ARG A 16 9.541 0.137 -2.575 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.535 -1.357 -0.766 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.575 0.366 -0.452 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.240 -1.223 0.582 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.783 -1.370 1.401 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.699 1.318 1.218 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.975 1.010 1.160 1.00 0.00 H new ATOM 0 HE ARG A 16 9.647 0.874 3.485 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.964 -0.784 1.899 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.298 -1.401 3.414 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.785 0.078 5.428 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.324 -0.916 5.404 1.00 0.00 H new ATOM 221 N HIS A 17 8.545 -1.956 -3.412 1.00 0.00 N ATOM 222 CA HIS A 17 7.986 -3.195 -3.941 1.00 0.00 C ATOM 223 C HIS A 17 8.004 -4.295 -2.883 1.00 0.00 C ATOM 224 O HIS A 17 9.018 -4.514 -2.220 1.00 0.00 O ATOM 225 CB HIS A 17 8.769 -3.646 -5.174 1.00 0.00 C ATOM 226 CG HIS A 17 10.128 -4.188 -4.857 1.00 0.00 C ATOM 227 ND1 HIS A 17 10.688 -5.256 -5.527 1.00 0.00 N ATOM 228 CD2 HIS A 17 11.041 -3.804 -3.935 1.00 0.00 C ATOM 229 CE1 HIS A 17 11.886 -5.505 -5.029 1.00 0.00 C ATOM 230 NE2 HIS A 17 12.125 -4.638 -4.062 1.00 0.00 N ATOM 0 H HIS A 17 9.108 -1.428 -4.079 1.00 0.00 H new ATOM 0 HA HIS A 17 6.951 -3.005 -4.225 1.00 0.00 H new ATOM 0 HB2 HIS A 17 8.196 -4.410 -5.698 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.874 -2.802 -5.856 1.00 0.00 H new ATOM 0 HD2 HIS A 17 10.937 -2.992 -3.230 1.00 0.00 H new ATOM 0 HE1 HIS A 17 12.556 -6.286 -5.357 1.00 0.00 H new ATOM 0 HE2 HIS A 17 12.976 -4.595 -3.501 1.00 0.00 H new ATOM 239 N GLN A 18 6.877 -4.981 -2.730 1.00 0.00 N ATOM 240 CA GLN A 18 6.764 -6.056 -1.751 1.00 0.00 C ATOM 241 C GLN A 18 6.144 -7.300 -2.378 1.00 0.00 C ATOM 242 O GLN A 18 5.112 -7.222 -3.044 1.00 0.00 O ATOM 243 CB GLN A 18 5.924 -5.600 -0.556 1.00 0.00 C ATOM 244 CG GLN A 18 4.427 -5.617 -0.823 1.00 0.00 C ATOM 245 CD GLN A 18 3.612 -5.268 0.407 1.00 0.00 C ATOM 246 OE1 GLN A 18 2.668 -5.975 0.761 1.00 0.00 O ATOM 247 NE2 GLN A 18 3.972 -4.172 1.065 1.00 0.00 N ATOM 0 H GLN A 18 6.029 -4.812 -3.271 1.00 0.00 H new ATOM 0 HA GLN A 18 7.767 -6.307 -1.406 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.140 -6.244 0.296 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.223 -4.590 -0.276 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.196 -4.911 -1.620 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.136 -6.605 -1.179 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.761 -3.616 0.736 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.459 -3.887 1.899 1.00 0.00 H new ATOM 256 N GLU A 19 6.781 -8.446 -2.161 1.00 0.00 N ATOM 257 CA GLU A 19 6.292 -9.707 -2.707 1.00 0.00 C ATOM 258 C GLU A 19 5.549 -10.509 -1.642 1.00 0.00 C ATOM 259 O GLU A 19 6.163 -11.101 -0.755 1.00 0.00 O ATOM 260 CB GLU A 19 7.454 -10.532 -3.264 1.00 0.00 C ATOM 261 CG GLU A 19 7.026 -11.868 -3.848 1.00 0.00 C ATOM 262 CD GLU A 19 8.126 -12.531 -4.655 1.00 0.00 C ATOM 263 OE1 GLU A 19 9.265 -12.615 -4.147 1.00 0.00 O ATOM 264 OE2 GLU A 19 7.850 -12.966 -5.792 1.00 0.00 O ATOM 0 H GLU A 19 7.636 -8.528 -1.611 1.00 0.00 H new ATOM 0 HA GLU A 19 5.598 -9.478 -3.516 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.962 -9.954 -4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.178 -10.708 -2.468 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.722 -12.533 -3.040 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.153 -11.720 -4.484 1.00 0.00 H new ATOM 271 N SER A 20 4.223 -10.522 -1.738 1.00 0.00 N ATOM 272 CA SER A 20 3.395 -11.247 -0.781 1.00 0.00 C ATOM 273 C SER A 20 2.958 -12.593 -1.351 1.00 0.00 C ATOM 274 O SER A 20 3.381 -12.985 -2.440 1.00 0.00 O ATOM 275 CB SER A 20 2.167 -10.417 -0.406 1.00 0.00 C ATOM 276 OG SER A 20 2.545 -9.183 0.180 1.00 0.00 O ATOM 0 H SER A 20 3.700 -10.039 -2.468 1.00 0.00 H new ATOM 0 HA SER A 20 3.990 -11.427 0.114 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.564 -10.231 -1.295 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.544 -10.978 0.290 1.00 0.00 H new ATOM 0 HG SER A 20 1.855 -8.897 0.815 1.00 0.00 H new ATOM 282 N ILE A 21 2.110 -13.296 -0.608 1.00 0.00 N ATOM 283 CA ILE A 21 1.615 -14.597 -1.039 1.00 0.00 C ATOM 284 C ILE A 21 0.090 -14.628 -1.055 1.00 0.00 C ATOM 285 O ILE A 21 -0.561 -13.978 -0.237 1.00 0.00 O ATOM 286 CB ILE A 21 2.131 -15.726 -0.128 1.00 0.00 C ATOM 287 CG1 ILE A 21 3.620 -15.974 -0.379 1.00 0.00 C ATOM 288 CG2 ILE A 21 1.330 -17.000 -0.357 1.00 0.00 C ATOM 289 CD1 ILE A 21 4.036 -17.414 -0.172 1.00 0.00 C ATOM 0 H ILE A 21 1.752 -12.986 0.295 1.00 0.00 H new ATOM 0 HA ILE A 21 1.990 -14.758 -2.050 1.00 0.00 H new ATOM 0 HB ILE A 21 2.003 -15.421 0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.863 -15.677 -1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.203 -15.337 0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.707 -17.789 0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.280 -16.815 -0.132 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.429 -17.310 -1.397 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.103 -17.516 -0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.825 -17.709 0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.479 -18.055 -0.855 1.00 0.00 H new ATOM 301 N GLU A 22 -0.472 -15.389 -1.989 1.00 0.00 N ATOM 302 CA GLU A 22 -1.920 -15.504 -2.109 1.00 0.00 C ATOM 303 C GLU A 22 -2.547 -15.903 -0.776 1.00 0.00 C ATOM 304 O GLU A 22 -2.026 -16.761 -0.064 1.00 0.00 O ATOM 305 CB GLU A 22 -2.285 -16.531 -3.183 1.00 0.00 C ATOM 306 CG GLU A 22 -3.724 -17.012 -3.102 1.00 0.00 C ATOM 307 CD GLU A 22 -4.694 -16.068 -3.786 1.00 0.00 C ATOM 308 OE1 GLU A 22 -4.511 -15.801 -4.992 1.00 0.00 O ATOM 309 OE2 GLU A 22 -5.635 -15.596 -3.115 1.00 0.00 O ATOM 0 H GLU A 22 0.053 -15.934 -2.673 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.313 -14.529 -2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.112 -16.093 -4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.619 -17.389 -3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.800 -17.999 -3.559 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.008 -17.123 -2.055 1.00 0.00 H new ATOM 316 N GLY A 23 -3.669 -15.272 -0.444 1.00 0.00 N ATOM 317 CA GLY A 23 -4.348 -15.572 0.803 1.00 0.00 C ATOM 318 C GLY A 23 -3.783 -14.793 1.974 1.00 0.00 C ATOM 319 O GLY A 23 -4.526 -14.346 2.847 1.00 0.00 O ATOM 0 H GLY A 23 -4.120 -14.558 -1.016 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.409 -15.346 0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.268 -16.639 1.009 1.00 0.00 H new ATOM 323 N ALA A 24 -2.464 -14.631 1.993 1.00 0.00 N ATOM 324 CA ALA A 24 -1.800 -13.900 3.066 1.00 0.00 C ATOM 325 C ALA A 24 -2.305 -12.463 3.146 1.00 0.00 C ATOM 326 O ALA A 24 -3.184 -12.059 2.383 1.00 0.00 O ATOM 327 CB ALA A 24 -0.292 -13.921 2.863 1.00 0.00 C ATOM 0 H ALA A 24 -1.834 -14.996 1.278 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.036 -14.393 4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.192 -13.372 3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.061 -14.952 2.863 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.047 -13.454 1.909 1.00 0.00 H new ATOM 333 N THR A 25 -1.745 -11.695 4.075 1.00 0.00 N ATOM 334 CA THR A 25 -2.140 -10.304 4.256 1.00 0.00 C ATOM 335 C THR A 25 -0.985 -9.359 3.945 1.00 0.00 C ATOM 336 O THR A 25 0.033 -9.361 4.635 1.00 0.00 O ATOM 337 CB THR A 25 -2.631 -10.041 5.692 1.00 0.00 C ATOM 338 OG1 THR A 25 -3.753 -10.880 5.987 1.00 0.00 O ATOM 339 CG2 THR A 25 -3.020 -8.582 5.873 1.00 0.00 C ATOM 0 H THR A 25 -1.016 -12.013 4.714 1.00 0.00 H new ATOM 0 HA THR A 25 -2.958 -10.115 3.560 1.00 0.00 H new ATOM 0 HB THR A 25 -1.816 -10.270 6.379 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.542 -10.324 6.154 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.363 -8.421 6.895 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.155 -7.948 5.677 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.820 -8.330 5.177 1.00 0.00 H new ATOM 347 N ALA A 26 -1.151 -8.552 2.901 1.00 0.00 N ATOM 348 CA ALA A 26 -0.122 -7.600 2.501 1.00 0.00 C ATOM 349 C ALA A 26 -0.172 -6.344 3.363 1.00 0.00 C ATOM 350 O ALA A 26 -1.247 -5.885 3.751 1.00 0.00 O ATOM 351 CB ALA A 26 -0.280 -7.240 1.031 1.00 0.00 C ATOM 0 H ALA A 26 -1.988 -8.539 2.318 1.00 0.00 H new ATOM 0 HA ALA A 26 0.850 -8.070 2.647 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.495 -6.528 0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.187 -8.140 0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.261 -6.793 0.869 1.00 0.00 H new ATOM 357 N THR A 27 0.999 -5.790 3.662 1.00 0.00 N ATOM 358 CA THR A 27 1.090 -4.587 4.480 1.00 0.00 C ATOM 359 C THR A 27 2.135 -3.625 3.929 1.00 0.00 C ATOM 360 O THR A 27 3.338 -3.848 4.074 1.00 0.00 O ATOM 361 CB THR A 27 1.440 -4.927 5.941 1.00 0.00 C ATOM 362 OG1 THR A 27 0.420 -5.755 6.510 1.00 0.00 O ATOM 363 CG2 THR A 27 1.593 -3.660 6.770 1.00 0.00 C ATOM 0 H THR A 27 1.898 -6.156 3.349 1.00 0.00 H new ATOM 0 HA THR A 27 0.111 -4.110 4.450 1.00 0.00 H new ATOM 0 HB THR A 27 2.389 -5.464 5.948 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.651 -5.968 7.438 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.840 -3.925 7.798 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.391 -3.046 6.352 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.658 -3.100 6.755 1.00 0.00 H new ATOM 371 N LEU A 28 1.671 -2.552 3.297 1.00 0.00 N ATOM 372 CA LEU A 28 2.567 -1.554 2.725 1.00 0.00 C ATOM 373 C LEU A 28 2.848 -0.437 3.725 1.00 0.00 C ATOM 374 O LEU A 28 2.196 -0.343 4.765 1.00 0.00 O ATOM 375 CB LEU A 28 1.961 -0.969 1.447 1.00 0.00 C ATOM 376 CG LEU A 28 2.074 -1.837 0.193 1.00 0.00 C ATOM 377 CD1 LEU A 28 0.883 -1.607 -0.724 1.00 0.00 C ATOM 378 CD2 LEU A 28 3.377 -1.550 -0.539 1.00 0.00 C ATOM 0 H LEU A 28 0.679 -2.351 3.168 1.00 0.00 H new ATOM 0 HA LEU A 28 3.510 -2.045 2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.906 -0.765 1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.441 -0.011 1.246 1.00 0.00 H new ATOM 0 HG LEU A 28 2.075 -2.884 0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.981 -2.233 -1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.036 -1.864 -0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.850 -0.559 -1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.440 -2.177 -1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.406 -0.500 -0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.219 -1.767 0.118 1.00 0.00 H new ATOM 390 N ARG A 29 3.820 0.409 3.401 1.00 0.00 N ATOM 391 CA ARG A 29 4.187 1.521 4.271 1.00 0.00 C ATOM 392 C ARG A 29 4.902 2.614 3.483 1.00 0.00 C ATOM 393 O ARG A 29 5.642 2.331 2.540 1.00 0.00 O ATOM 394 CB ARG A 29 5.081 1.030 5.412 1.00 0.00 C ATOM 395 CG ARG A 29 5.198 2.018 6.561 1.00 0.00 C ATOM 396 CD ARG A 29 5.705 1.343 7.826 1.00 0.00 C ATOM 397 NE ARG A 29 6.474 2.258 8.664 1.00 0.00 N ATOM 398 CZ ARG A 29 7.343 1.857 9.586 1.00 0.00 C ATOM 399 NH1 ARG A 29 7.552 0.563 9.785 1.00 0.00 N ATOM 400 NH2 ARG A 29 8.005 2.751 10.309 1.00 0.00 N ATOM 0 H ARG A 29 4.368 0.346 2.543 1.00 0.00 H new ATOM 0 HA ARG A 29 3.272 1.939 4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.686 0.088 5.792 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.076 0.823 5.019 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.875 2.825 6.281 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.225 2.471 6.754 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.859 0.955 8.394 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.326 0.489 7.557 1.00 0.00 H new ATOM 0 HE ARG A 29 6.337 3.260 8.535 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.045 -0.127 9.230 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.219 0.257 10.493 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.847 3.747 10.157 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.672 2.442 11.016 1.00 0.00 H new ATOM 414 N CYS A 30 4.677 3.863 3.877 1.00 0.00 N ATOM 415 CA CYS A 30 5.300 4.999 3.207 1.00 0.00 C ATOM 416 C CYS A 30 5.559 6.135 4.191 1.00 0.00 C ATOM 417 O CYS A 30 5.181 6.055 5.359 1.00 0.00 O ATOM 418 CB CYS A 30 4.412 5.492 2.063 1.00 0.00 C ATOM 419 SG CYS A 30 2.964 6.430 2.603 1.00 0.00 S ATOM 0 H CYS A 30 4.068 4.114 4.656 1.00 0.00 H new ATOM 0 HA CYS A 30 6.256 4.670 2.800 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.008 6.116 1.398 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.079 4.633 1.480 1.00 0.00 H new ATOM 0 HG CYS A 30 3.199 7.702 2.475 1.00 0.00 H new ATOM 425 N GLU A 31 6.207 7.192 3.710 1.00 0.00 N ATOM 426 CA GLU A 31 6.518 8.343 4.549 1.00 0.00 C ATOM 427 C GLU A 31 6.141 9.645 3.849 1.00 0.00 C ATOM 428 O GLU A 31 6.207 9.746 2.623 1.00 0.00 O ATOM 429 CB GLU A 31 8.006 8.355 4.905 1.00 0.00 C ATOM 430 CG GLU A 31 8.307 9.003 6.246 1.00 0.00 C ATOM 431 CD GLU A 31 9.738 8.780 6.694 1.00 0.00 C ATOM 432 OE1 GLU A 31 10.644 8.839 5.836 1.00 0.00 O ATOM 433 OE2 GLU A 31 9.952 8.547 7.902 1.00 0.00 O ATOM 0 H GLU A 31 6.526 7.275 2.745 1.00 0.00 H new ATOM 0 HA GLU A 31 5.933 8.261 5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.377 7.330 4.915 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.553 8.884 4.125 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.114 10.074 6.179 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.628 8.603 6.999 1.00 0.00 H new ATOM 440 N LEU A 32 5.744 10.639 4.635 1.00 0.00 N ATOM 441 CA LEU A 32 5.355 11.936 4.091 1.00 0.00 C ATOM 442 C LEU A 32 6.116 13.065 4.779 1.00 0.00 C ATOM 443 O LEU A 32 6.525 12.939 5.932 1.00 0.00 O ATOM 444 CB LEU A 32 3.849 12.148 4.254 1.00 0.00 C ATOM 445 CG LEU A 32 2.949 11.265 3.389 1.00 0.00 C ATOM 446 CD1 LEU A 32 1.490 11.445 3.779 1.00 0.00 C ATOM 447 CD2 LEU A 32 3.152 11.579 1.914 1.00 0.00 C ATOM 0 H LEU A 32 5.683 10.572 5.651 1.00 0.00 H new ATOM 0 HA LEU A 32 5.605 11.948 3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.590 11.982 5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.623 13.191 4.031 1.00 0.00 H new ATOM 0 HG LEU A 32 3.223 10.224 3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.865 10.809 3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.356 11.169 4.825 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.202 12.487 3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.503 10.941 1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.906 12.624 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.192 11.397 1.643 1.00 0.00 H new ATOM 459 N SER A 33 6.300 14.170 4.062 1.00 0.00 N ATOM 460 CA SER A 33 7.014 15.321 4.602 1.00 0.00 C ATOM 461 C SER A 33 6.412 15.757 5.935 1.00 0.00 C ATOM 462 O SER A 33 7.086 16.368 6.764 1.00 0.00 O ATOM 463 CB SER A 33 6.976 16.483 3.608 1.00 0.00 C ATOM 464 OG SER A 33 7.287 17.710 4.245 1.00 0.00 O ATOM 0 H SER A 33 5.965 14.292 3.106 1.00 0.00 H new ATOM 0 HA SER A 33 8.051 15.029 4.769 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.685 16.299 2.801 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.987 16.546 3.155 1.00 0.00 H new ATOM 0 HG SER A 33 6.705 18.417 3.895 1.00 0.00 H new ATOM 470 N LYS A 34 5.137 15.438 6.134 1.00 0.00 N ATOM 471 CA LYS A 34 4.442 15.794 7.365 1.00 0.00 C ATOM 472 C LYS A 34 3.091 15.092 7.449 1.00 0.00 C ATOM 473 O LYS A 34 2.402 14.929 6.442 1.00 0.00 O ATOM 474 CB LYS A 34 4.248 17.310 7.445 1.00 0.00 C ATOM 475 CG LYS A 34 3.459 17.884 6.281 1.00 0.00 C ATOM 476 CD LYS A 34 2.849 19.231 6.631 1.00 0.00 C ATOM 477 CE LYS A 34 2.706 20.114 5.401 1.00 0.00 C ATOM 478 NZ LYS A 34 2.673 21.560 5.757 1.00 0.00 N ATOM 0 H LYS A 34 4.564 14.933 5.458 1.00 0.00 H new ATOM 0 HA LYS A 34 5.054 15.468 8.206 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.736 17.554 8.376 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.225 17.791 7.483 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.113 17.993 5.416 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.669 17.188 5.998 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.871 19.081 7.088 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.473 19.733 7.370 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.537 19.926 4.721 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.792 19.850 4.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.575 22.128 4.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.865 21.744 6.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.556 21.818 6.242 1.00 0.00 H new ATOM 492 N ALA A 35 2.717 14.680 8.656 1.00 0.00 N ATOM 493 CA ALA A 35 1.446 13.999 8.871 1.00 0.00 C ATOM 494 C ALA A 35 0.352 14.587 7.987 1.00 0.00 C ATOM 495 O ALA A 35 -0.063 15.731 8.174 1.00 0.00 O ATOM 496 CB ALA A 35 1.045 14.081 10.337 1.00 0.00 C ATOM 0 H ALA A 35 3.276 14.806 9.500 1.00 0.00 H new ATOM 0 HA ALA A 35 1.572 12.951 8.598 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.094 13.569 10.483 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.811 13.607 10.951 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.942 15.126 10.628 1.00 0.00 H new ATOM 502 N ALA A 36 -0.112 13.798 7.024 1.00 0.00 N ATOM 503 CA ALA A 36 -1.160 14.241 6.112 1.00 0.00 C ATOM 504 C ALA A 36 -1.957 13.057 5.576 1.00 0.00 C ATOM 505 O ALA A 36 -1.458 11.936 5.474 1.00 0.00 O ATOM 506 CB ALA A 36 -0.558 15.038 4.964 1.00 0.00 C ATOM 0 H ALA A 36 0.221 12.849 6.855 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.843 14.884 6.667 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.352 15.362 4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.039 15.911 5.360 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.148 14.413 4.418 1.00 0.00 H new ATOM 512 N PRO A 37 -3.227 13.308 5.224 1.00 0.00 N ATOM 513 CA PRO A 37 -4.121 12.275 4.693 1.00 0.00 C ATOM 514 C PRO A 37 -3.719 11.826 3.292 1.00 0.00 C ATOM 515 O PRO A 37 -3.302 12.637 2.465 1.00 0.00 O ATOM 516 CB PRO A 37 -5.485 12.967 4.662 1.00 0.00 C ATOM 517 CG PRO A 37 -5.170 14.420 4.559 1.00 0.00 C ATOM 518 CD PRO A 37 -3.888 14.620 5.319 1.00 0.00 C ATOM 0 HA PRO A 37 -4.102 11.369 5.299 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.081 12.630 3.814 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.060 12.749 5.562 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.058 14.722 3.518 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.973 15.024 4.982 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.279 15.410 4.879 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.075 14.902 6.355 1.00 0.00 H new ATOM 526 N VAL A 38 -3.847 10.529 3.031 1.00 0.00 N ATOM 527 CA VAL A 38 -3.499 9.973 1.729 1.00 0.00 C ATOM 528 C VAL A 38 -4.626 9.104 1.183 1.00 0.00 C ATOM 529 O VAL A 38 -5.659 8.932 1.830 1.00 0.00 O ATOM 530 CB VAL A 38 -2.209 9.134 1.804 1.00 0.00 C ATOM 531 CG1 VAL A 38 -1.033 9.998 2.232 1.00 0.00 C ATOM 532 CG2 VAL A 38 -2.393 7.960 2.754 1.00 0.00 C ATOM 0 H VAL A 38 -4.189 9.843 3.704 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.337 10.816 1.058 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.995 8.739 0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.131 9.388 2.279 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.890 10.802 1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.234 10.425 3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.473 7.378 2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.632 8.332 3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.207 7.328 2.398 1.00 0.00 H new ATOM 542 N GLU A 39 -4.421 8.559 -0.012 1.00 0.00 N ATOM 543 CA GLU A 39 -5.421 7.708 -0.645 1.00 0.00 C ATOM 544 C GLU A 39 -4.760 6.663 -1.539 1.00 0.00 C ATOM 545 O GLU A 39 -4.285 6.976 -2.631 1.00 0.00 O ATOM 546 CB GLU A 39 -6.397 8.554 -1.466 1.00 0.00 C ATOM 547 CG GLU A 39 -7.532 7.751 -2.078 1.00 0.00 C ATOM 548 CD GLU A 39 -8.529 7.267 -1.043 1.00 0.00 C ATOM 549 OE1 GLU A 39 -8.978 8.092 -0.221 1.00 0.00 O ATOM 550 OE2 GLU A 39 -8.858 6.062 -1.054 1.00 0.00 O ATOM 0 H GLU A 39 -3.572 8.692 -0.561 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.971 7.192 0.142 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.816 9.332 -0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.848 9.057 -2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.049 8.364 -2.816 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.120 6.893 -2.609 1.00 0.00 H new ATOM 557 N TRP A 40 -4.732 5.422 -1.067 1.00 0.00 N ATOM 558 CA TRP A 40 -4.129 4.331 -1.823 1.00 0.00 C ATOM 559 C TRP A 40 -4.947 4.014 -3.070 1.00 0.00 C ATOM 560 O TRP A 40 -6.156 4.245 -3.105 1.00 0.00 O ATOM 561 CB TRP A 40 -4.007 3.083 -0.948 1.00 0.00 C ATOM 562 CG TRP A 40 -3.129 3.282 0.251 1.00 0.00 C ATOM 563 CD1 TRP A 40 -3.465 3.907 1.418 1.00 0.00 C ATOM 564 CD2 TRP A 40 -1.770 2.855 0.399 1.00 0.00 C ATOM 565 NE1 TRP A 40 -2.396 3.895 2.282 1.00 0.00 N ATOM 566 CE2 TRP A 40 -1.345 3.254 1.681 1.00 0.00 C ATOM 567 CE3 TRP A 40 -0.873 2.172 -0.426 1.00 0.00 C ATOM 568 CZ2 TRP A 40 -0.062 2.994 2.154 1.00 0.00 C ATOM 569 CZ3 TRP A 40 0.401 1.914 0.044 1.00 0.00 C ATOM 570 CH2 TRP A 40 0.796 2.324 1.325 1.00 0.00 C ATOM 0 H TRP A 40 -5.120 5.146 -0.165 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.133 4.646 -2.135 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.001 2.782 -0.616 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.610 2.264 -1.548 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.429 4.346 1.631 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -2.387 4.298 3.219 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.170 1.851 -1.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 0.245 3.310 3.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 1.103 1.388 -0.586 1.00 0.00 H new ATOM 0 HH2 TRP A 40 1.798 2.107 1.665 1.00 0.00 H new ATOM 581 N ARG A 41 -4.282 3.484 -4.091 1.00 0.00 N ATOM 582 CA ARG A 41 -4.949 3.136 -5.340 1.00 0.00 C ATOM 583 C ARG A 41 -4.326 1.889 -5.960 1.00 0.00 C ATOM 584 O ARG A 41 -3.154 1.890 -6.339 1.00 0.00 O ATOM 585 CB ARG A 41 -4.870 4.303 -6.326 1.00 0.00 C ATOM 586 CG ARG A 41 -5.860 5.418 -6.030 1.00 0.00 C ATOM 587 CD ARG A 41 -6.081 6.304 -7.246 1.00 0.00 C ATOM 588 NE ARG A 41 -7.162 7.264 -7.035 1.00 0.00 N ATOM 589 CZ ARG A 41 -8.447 6.970 -7.195 1.00 0.00 C ATOM 590 NH1 ARG A 41 -8.810 5.750 -7.566 1.00 0.00 N ATOM 591 NH2 ARG A 41 -9.372 7.898 -6.984 1.00 0.00 N ATOM 0 H ARG A 41 -3.281 3.286 -4.078 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.995 2.926 -5.118 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.860 4.712 -6.312 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.048 3.929 -7.334 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.810 4.988 -5.714 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.492 6.022 -5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.160 6.840 -7.476 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.312 5.682 -8.111 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.916 8.212 -6.749 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.102 5.035 -7.729 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.798 5.527 -7.688 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.096 8.838 -6.699 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.359 7.672 -7.107 1.00 0.00 H new ATOM 605 N LYS A 42 -5.117 0.827 -6.061 1.00 0.00 N ATOM 606 CA LYS A 42 -4.645 -0.428 -6.636 1.00 0.00 C ATOM 607 C LYS A 42 -5.129 -0.583 -8.074 1.00 0.00 C ATOM 608 O LYS A 42 -6.237 -1.058 -8.318 1.00 0.00 O ATOM 609 CB LYS A 42 -5.126 -1.611 -5.794 1.00 0.00 C ATOM 610 CG LYS A 42 -4.876 -2.961 -6.444 1.00 0.00 C ATOM 611 CD LYS A 42 -5.913 -3.986 -6.015 1.00 0.00 C ATOM 612 CE LYS A 42 -6.054 -5.100 -7.042 1.00 0.00 C ATOM 613 NZ LYS A 42 -7.248 -5.949 -6.779 1.00 0.00 N ATOM 0 H LYS A 42 -6.089 0.810 -5.752 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.555 -0.411 -6.638 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.625 -1.585 -4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.194 -1.501 -5.604 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.896 -2.853 -7.528 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.880 -3.316 -6.177 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.629 -4.411 -5.052 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.876 -3.495 -5.875 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.129 -4.667 -8.039 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.158 -5.720 -7.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.660 -6.259 -7.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.966 -6.782 -6.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.954 -5.401 -6.247 1.00 0.00 H new ATOM 627 N GLY A 43 -4.289 -0.181 -9.023 1.00 0.00 N ATOM 628 CA GLY A 43 -4.649 -0.286 -10.425 1.00 0.00 C ATOM 629 C GLY A 43 -5.951 0.423 -10.744 1.00 0.00 C ATOM 630 O GLY A 43 -7.032 -0.116 -10.508 1.00 0.00 O ATOM 0 H GLY A 43 -3.366 0.215 -8.846 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.850 0.136 -11.035 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.736 -1.338 -10.697 1.00 0.00 H new ATOM 634 N ARG A 44 -5.847 1.634 -11.280 1.00 0.00 N ATOM 635 CA ARG A 44 -7.026 2.419 -11.629 1.00 0.00 C ATOM 636 C ARG A 44 -8.141 2.208 -10.608 1.00 0.00 C ATOM 637 O ARG A 44 -9.322 2.299 -10.939 1.00 0.00 O ATOM 638 CB ARG A 44 -7.521 2.041 -13.026 1.00 0.00 C ATOM 639 CG ARG A 44 -8.145 0.657 -13.098 1.00 0.00 C ATOM 640 CD ARG A 44 -7.125 -0.392 -13.515 1.00 0.00 C ATOM 641 NE ARG A 44 -7.747 -1.509 -14.221 1.00 0.00 N ATOM 642 CZ ARG A 44 -7.093 -2.304 -15.060 1.00 0.00 C ATOM 643 NH1 ARG A 44 -5.804 -2.105 -15.298 1.00 0.00 N ATOM 644 NH2 ARG A 44 -7.728 -3.300 -15.664 1.00 0.00 N ATOM 0 H ARG A 44 -4.959 2.093 -11.482 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.746 3.472 -11.623 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -8.254 2.778 -13.354 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.685 2.090 -13.724 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.563 0.394 -12.126 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.971 0.666 -13.809 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.373 0.068 -14.156 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.606 -0.765 -12.632 1.00 0.00 H new ATOM 0 HE ARG A 44 -8.738 -1.688 -14.061 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.312 -1.340 -14.836 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.304 -2.717 -15.943 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.720 -3.456 -15.484 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.224 -3.910 -16.308 1.00 0.00 H new ATOM 658 N GLU A 45 -7.755 1.925 -9.368 1.00 0.00 N ATOM 659 CA GLU A 45 -8.722 1.700 -8.300 1.00 0.00 C ATOM 660 C GLU A 45 -8.367 2.518 -7.063 1.00 0.00 C ATOM 661 O GLU A 45 -7.258 3.040 -6.948 1.00 0.00 O ATOM 662 CB GLU A 45 -8.783 0.213 -7.942 1.00 0.00 C ATOM 663 CG GLU A 45 -10.169 -0.258 -7.535 1.00 0.00 C ATOM 664 CD GLU A 45 -10.168 -1.678 -7.002 1.00 0.00 C ATOM 665 OE1 GLU A 45 -10.040 -2.617 -7.815 1.00 0.00 O ATOM 666 OE2 GLU A 45 -10.296 -1.850 -5.771 1.00 0.00 O ATOM 0 H GLU A 45 -6.780 1.846 -9.078 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.700 2.021 -8.657 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.446 -0.372 -8.798 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.087 0.015 -7.127 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.567 0.412 -6.773 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.837 -0.197 -8.394 1.00 0.00 H new ATOM 673 N SER A 46 -9.317 2.627 -6.139 1.00 0.00 N ATOM 674 CA SER A 46 -9.107 3.385 -4.912 1.00 0.00 C ATOM 675 C SER A 46 -9.395 2.525 -3.685 1.00 0.00 C ATOM 676 O SER A 46 -10.495 1.991 -3.531 1.00 0.00 O ATOM 677 CB SER A 46 -9.997 4.629 -4.897 1.00 0.00 C ATOM 678 OG SER A 46 -10.316 5.013 -3.571 1.00 0.00 O ATOM 0 H SER A 46 -10.240 2.199 -6.218 1.00 0.00 H new ATOM 0 HA SER A 46 -8.062 3.694 -4.880 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.489 5.449 -5.404 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.914 4.430 -5.452 1.00 0.00 H new ATOM 0 HG SER A 46 -9.495 5.260 -3.096 1.00 0.00 H new ATOM 684 N LEU A 47 -8.400 2.394 -2.815 1.00 0.00 N ATOM 685 CA LEU A 47 -8.545 1.599 -1.601 1.00 0.00 C ATOM 686 C LEU A 47 -8.957 2.475 -0.422 1.00 0.00 C ATOM 687 O LEU A 47 -8.374 3.534 -0.189 1.00 0.00 O ATOM 688 CB LEU A 47 -7.235 0.877 -1.281 1.00 0.00 C ATOM 689 CG LEU A 47 -6.512 0.240 -2.469 1.00 0.00 C ATOM 690 CD1 LEU A 47 -5.250 -0.472 -2.007 1.00 0.00 C ATOM 691 CD2 LEU A 47 -7.434 -0.725 -3.199 1.00 0.00 C ATOM 0 H LEU A 47 -7.484 2.828 -2.928 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.328 0.860 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.558 1.588 -0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.443 0.098 -0.547 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.225 1.031 -3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.749 -0.919 -2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.582 0.245 -1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.513 -1.253 -1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.903 -1.169 -4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.752 -1.512 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.308 -0.187 -3.564 1.00 0.00 H new ATOM 703 N ARG A 48 -9.963 2.024 0.320 1.00 0.00 N ATOM 704 CA ARG A 48 -10.453 2.767 1.476 1.00 0.00 C ATOM 705 C ARG A 48 -10.619 1.847 2.682 1.00 0.00 C ATOM 706 O ARG A 48 -10.876 0.652 2.533 1.00 0.00 O ATOM 707 CB ARG A 48 -11.785 3.442 1.148 1.00 0.00 C ATOM 708 CG ARG A 48 -11.792 4.159 -0.193 1.00 0.00 C ATOM 709 CD ARG A 48 -13.193 4.234 -0.778 1.00 0.00 C ATOM 710 NE ARG A 48 -13.627 2.952 -1.325 1.00 0.00 N ATOM 711 CZ ARG A 48 -14.900 2.635 -1.535 1.00 0.00 C ATOM 712 NH1 ARG A 48 -15.859 3.504 -1.245 1.00 0.00 N ATOM 713 NH2 ARG A 48 -15.216 1.448 -2.037 1.00 0.00 N ATOM 0 H ARG A 48 -10.455 1.148 0.142 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.718 3.533 1.723 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -12.574 2.690 1.152 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -12.023 4.158 1.934 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.394 5.166 -0.070 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.134 3.638 -0.888 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.892 4.554 -0.005 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.218 4.990 -1.563 1.00 0.00 H new ATOM 0 HE ARG A 48 -12.914 2.262 -1.559 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.620 4.418 -0.860 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.836 3.259 -1.407 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -14.481 0.777 -2.262 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.194 1.206 -2.198 1.00 0.00 H new ATOM 727 N ASP A 49 -10.471 2.412 3.875 1.00 0.00 N ATOM 728 CA ASP A 49 -10.605 1.643 5.107 1.00 0.00 C ATOM 729 C ASP A 49 -12.011 1.064 5.235 1.00 0.00 C ATOM 730 O ASP A 49 -13.002 1.764 5.038 1.00 0.00 O ATOM 731 CB ASP A 49 -10.290 2.522 6.318 1.00 0.00 C ATOM 732 CG ASP A 49 -11.108 2.142 7.537 1.00 0.00 C ATOM 733 OD1 ASP A 49 -10.712 1.193 8.245 1.00 0.00 O ATOM 734 OD2 ASP A 49 -12.144 2.795 7.783 1.00 0.00 O ATOM 0 H ASP A 49 -10.258 3.400 4.015 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.893 0.818 5.072 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.229 2.441 6.556 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.482 3.565 6.066 1.00 0.00 H new ATOM 739 N GLY A 50 -12.088 -0.222 5.565 1.00 0.00 N ATOM 740 CA GLY A 50 -13.375 -0.874 5.713 1.00 0.00 C ATOM 741 C GLY A 50 -13.261 -2.248 6.344 1.00 0.00 C ATOM 742 O GLY A 50 -12.554 -2.426 7.336 1.00 0.00 O ATOM 0 H GLY A 50 -11.281 -0.823 5.732 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.027 -0.250 6.325 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.847 -0.965 4.735 1.00 0.00 H new ATOM 746 N ASP A 51 -13.959 -3.221 5.770 1.00 0.00 N ATOM 747 CA ASP A 51 -13.933 -4.586 6.282 1.00 0.00 C ATOM 748 C ASP A 51 -12.559 -4.927 6.851 1.00 0.00 C ATOM 749 O ASP A 51 -12.391 -5.049 8.064 1.00 0.00 O ATOM 750 CB ASP A 51 -14.302 -5.576 5.177 1.00 0.00 C ATOM 751 CG ASP A 51 -15.464 -5.093 4.331 1.00 0.00 C ATOM 752 OD1 ASP A 51 -16.511 -4.735 4.910 1.00 0.00 O ATOM 753 OD2 ASP A 51 -15.326 -5.073 3.090 1.00 0.00 O ATOM 0 H ASP A 51 -14.550 -3.090 4.949 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.667 -4.661 7.084 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -13.435 -5.742 4.537 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.557 -6.537 5.624 1.00 0.00 H new ATOM 758 N ARG A 52 -11.580 -5.081 5.965 1.00 0.00 N ATOM 759 CA ARG A 52 -10.221 -5.410 6.378 1.00 0.00 C ATOM 760 C ARG A 52 -9.257 -4.281 6.027 1.00 0.00 C ATOM 761 O ARG A 52 -8.458 -3.851 6.859 1.00 0.00 O ATOM 762 CB ARG A 52 -9.765 -6.710 5.714 1.00 0.00 C ATOM 763 CG ARG A 52 -9.981 -7.943 6.576 1.00 0.00 C ATOM 764 CD ARG A 52 -9.244 -7.833 7.902 1.00 0.00 C ATOM 765 NE ARG A 52 -10.077 -7.242 8.945 1.00 0.00 N ATOM 766 CZ ARG A 52 -9.617 -6.882 10.137 1.00 0.00 C ATOM 767 NH1 ARG A 52 -8.336 -7.051 10.436 1.00 0.00 N ATOM 768 NH2 ARG A 52 -10.438 -6.350 11.034 1.00 0.00 N ATOM 0 H ARG A 52 -11.703 -4.983 4.957 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.219 -5.542 7.460 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.302 -6.836 4.774 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.706 -6.630 5.468 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.047 -8.077 6.761 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.637 -8.828 6.040 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.917 -8.824 8.218 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.347 -7.228 7.769 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.067 -7.098 8.747 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.701 -7.459 9.749 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.985 -6.773 11.353 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.424 -6.217 10.808 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.083 -6.074 11.950 1.00 0.00 H new ATOM 782 N HIS A 53 -9.338 -3.805 4.788 1.00 0.00 N ATOM 783 CA HIS A 53 -8.473 -2.725 4.326 1.00 0.00 C ATOM 784 C HIS A 53 -8.201 -1.729 5.449 1.00 0.00 C ATOM 785 O HIS A 53 -9.106 -1.030 5.905 1.00 0.00 O ATOM 786 CB HIS A 53 -9.109 -2.008 3.135 1.00 0.00 C ATOM 787 CG HIS A 53 -9.204 -2.858 1.906 1.00 0.00 C ATOM 788 ND1 HIS A 53 -10.312 -3.621 1.603 1.00 0.00 N ATOM 789 CD2 HIS A 53 -8.322 -3.061 0.899 1.00 0.00 C ATOM 790 CE1 HIS A 53 -10.107 -4.259 0.464 1.00 0.00 C ATOM 791 NE2 HIS A 53 -8.907 -3.936 0.016 1.00 0.00 N ATOM 0 H HIS A 53 -9.993 -4.150 4.087 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.524 -3.161 4.013 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.108 -1.674 3.414 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -8.527 -1.115 2.906 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.341 -2.618 0.807 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.802 -4.930 -0.018 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.483 -4.280 -0.846 1.00 0.00 H new ATOM 800 N SER A 54 -6.948 -1.669 5.891 1.00 0.00 N ATOM 801 CA SER A 54 -6.558 -0.762 6.963 1.00 0.00 C ATOM 802 C SER A 54 -5.581 0.293 6.454 1.00 0.00 C ATOM 803 O SER A 54 -4.522 -0.033 5.916 1.00 0.00 O ATOM 804 CB SER A 54 -5.927 -1.543 8.117 1.00 0.00 C ATOM 805 OG SER A 54 -6.150 -0.893 9.356 1.00 0.00 O ATOM 0 H SER A 54 -6.186 -2.238 5.522 1.00 0.00 H new ATOM 0 HA SER A 54 -7.455 -0.258 7.323 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.345 -2.549 8.150 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.856 -1.648 7.946 1.00 0.00 H new ATOM 0 HG SER A 54 -5.738 -1.413 10.077 1.00 0.00 H new ATOM 811 N LEU A 55 -5.943 1.559 6.627 1.00 0.00 N ATOM 812 CA LEU A 55 -5.099 2.664 6.185 1.00 0.00 C ATOM 813 C LEU A 55 -4.674 3.530 7.366 1.00 0.00 C ATOM 814 O LEU A 55 -4.734 4.758 7.302 1.00 0.00 O ATOM 815 CB LEU A 55 -5.840 3.517 5.153 1.00 0.00 C ATOM 816 CG LEU A 55 -6.361 2.777 3.921 1.00 0.00 C ATOM 817 CD1 LEU A 55 -5.263 1.922 3.307 1.00 0.00 C ATOM 818 CD2 LEU A 55 -7.566 1.920 4.283 1.00 0.00 C ATOM 0 H LEU A 55 -6.816 1.846 7.070 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.204 2.244 5.725 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.684 3.998 5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.171 4.311 4.820 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.674 3.516 3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.653 1.403 2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.429 2.558 3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.919 1.191 4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.923 1.401 3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.279 1.189 5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.360 2.556 4.676 1.00 0.00 H new ATOM 830 N ARG A 56 -4.242 2.882 8.443 1.00 0.00 N ATOM 831 CA ARG A 56 -3.805 3.593 9.638 1.00 0.00 C ATOM 832 C ARG A 56 -2.630 4.514 9.324 1.00 0.00 C ATOM 833 O ARG A 56 -2.066 4.465 8.231 1.00 0.00 O ATOM 834 CB ARG A 56 -3.411 2.600 10.733 1.00 0.00 C ATOM 835 CG ARG A 56 -2.226 1.724 10.361 1.00 0.00 C ATOM 836 CD ARG A 56 -2.111 0.521 11.285 1.00 0.00 C ATOM 837 NE ARG A 56 -1.933 0.917 12.680 1.00 0.00 N ATOM 838 CZ ARG A 56 -1.410 0.124 13.608 1.00 0.00 C ATOM 839 NH1 ARG A 56 -1.014 -1.102 13.291 1.00 0.00 N ATOM 840 NH2 ARG A 56 -1.280 0.556 14.856 1.00 0.00 N ATOM 0 H ARG A 56 -4.185 1.866 8.512 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.637 4.202 9.992 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.174 3.151 11.643 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.266 1.963 10.959 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.333 1.384 9.331 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.309 2.311 10.410 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.007 -0.093 11.194 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.269 -0.096 10.973 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.227 1.854 12.956 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.111 -1.437 12.333 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.613 -1.709 14.006 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.582 1.498 15.104 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.878 -0.054 15.568 1.00 0.00 H new ATOM 854 N GLN A 57 -2.267 5.353 10.290 1.00 0.00 N ATOM 855 CA GLN A 57 -1.159 6.285 10.115 1.00 0.00 C ATOM 856 C GLN A 57 -0.456 6.549 11.442 1.00 0.00 C ATOM 857 O GLN A 57 -1.086 6.557 12.499 1.00 0.00 O ATOM 858 CB GLN A 57 -1.662 7.601 9.520 1.00 0.00 C ATOM 859 CG GLN A 57 -2.217 7.459 8.111 1.00 0.00 C ATOM 860 CD GLN A 57 -2.693 8.779 7.536 1.00 0.00 C ATOM 861 OE1 GLN A 57 -3.891 9.060 7.506 1.00 0.00 O ATOM 862 NE2 GLN A 57 -1.754 9.597 7.075 1.00 0.00 N ATOM 0 H GLN A 57 -2.724 5.406 11.201 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.442 5.834 9.428 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.438 8.010 10.168 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.844 8.321 9.508 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.448 7.040 7.462 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.046 6.751 8.121 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.772 9.323 7.120 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.014 10.499 6.676 1.00 0.00 H new ATOM 871 N ASP A 58 0.854 6.765 11.378 1.00 0.00 N ATOM 872 CA ASP A 58 1.644 7.030 12.575 1.00 0.00 C ATOM 873 C ASP A 58 2.583 8.212 12.355 1.00 0.00 C ATOM 874 O ASP A 58 3.782 8.034 12.143 1.00 0.00 O ATOM 875 CB ASP A 58 2.448 5.790 12.967 1.00 0.00 C ATOM 876 CG ASP A 58 3.093 5.925 14.332 1.00 0.00 C ATOM 877 OD1 ASP A 58 2.352 6.080 15.325 1.00 0.00 O ATOM 878 OD2 ASP A 58 4.339 5.878 14.408 1.00 0.00 O ATOM 0 H ASP A 58 1.391 6.762 10.511 1.00 0.00 H new ATOM 0 HA ASP A 58 0.958 7.279 13.385 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.792 4.919 12.963 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.221 5.611 12.220 1.00 0.00 H new ATOM 883 N GLY A 59 2.029 9.420 12.407 1.00 0.00 N ATOM 884 CA GLY A 59 2.831 10.613 12.210 1.00 0.00 C ATOM 885 C GLY A 59 3.709 10.524 10.978 1.00 0.00 C ATOM 886 O GLY A 59 4.812 9.981 11.032 1.00 0.00 O ATOM 0 H GLY A 59 1.039 9.593 12.582 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.174 11.478 12.122 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.457 10.775 13.088 1.00 0.00 H new ATOM 890 N ALA A 60 3.219 11.058 9.864 1.00 0.00 N ATOM 891 CA ALA A 60 3.967 11.037 8.613 1.00 0.00 C ATOM 892 C ALA A 60 4.369 9.614 8.237 1.00 0.00 C ATOM 893 O ALA A 60 5.479 9.377 7.761 1.00 0.00 O ATOM 894 CB ALA A 60 5.199 11.924 8.720 1.00 0.00 C ATOM 0 H ALA A 60 2.307 11.511 9.802 1.00 0.00 H new ATOM 0 HA ALA A 60 3.321 11.424 7.825 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.748 11.899 7.779 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.893 12.948 8.934 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.840 11.561 9.524 1.00 0.00 H new ATOM 900 N VAL A 61 3.458 8.670 8.455 1.00 0.00 N ATOM 901 CA VAL A 61 3.717 7.271 8.138 1.00 0.00 C ATOM 902 C VAL A 61 2.417 6.511 7.900 1.00 0.00 C ATOM 903 O VAL A 61 1.691 6.194 8.843 1.00 0.00 O ATOM 904 CB VAL A 61 4.505 6.577 9.266 1.00 0.00 C ATOM 905 CG1 VAL A 61 4.721 5.107 8.940 1.00 0.00 C ATOM 906 CG2 VAL A 61 5.834 7.281 9.497 1.00 0.00 C ATOM 0 H VAL A 61 2.535 8.849 8.850 1.00 0.00 H new ATOM 0 HA VAL A 61 4.314 7.258 7.226 1.00 0.00 H new ATOM 0 HB VAL A 61 3.922 6.639 10.185 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.279 4.633 9.748 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.756 4.613 8.828 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.283 5.019 8.010 1.00 0.00 H new ATOM 0 HG21 VAL A 61 6.378 6.778 10.297 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.425 7.252 8.582 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.652 8.318 9.778 1.00 0.00 H new ATOM 916 N CYS A 62 2.130 6.223 6.636 1.00 0.00 N ATOM 917 CA CYS A 62 0.916 5.500 6.273 1.00 0.00 C ATOM 918 C CYS A 62 1.209 4.019 6.060 1.00 0.00 C ATOM 919 O CYS A 62 2.313 3.645 5.666 1.00 0.00 O ATOM 920 CB CYS A 62 0.301 6.098 5.007 1.00 0.00 C ATOM 921 SG CYS A 62 0.019 7.882 5.095 1.00 0.00 S ATOM 0 H CYS A 62 2.721 6.479 5.845 1.00 0.00 H new ATOM 0 HA CYS A 62 0.205 5.597 7.094 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.957 5.886 4.162 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -0.648 5.600 4.807 1.00 0.00 H new ATOM 0 HG CYS A 62 0.697 8.475 4.158 1.00 0.00 H new ATOM 927 N GLU A 63 0.212 3.180 6.325 1.00 0.00 N ATOM 928 CA GLU A 63 0.365 1.738 6.165 1.00 0.00 C ATOM 929 C GLU A 63 -0.939 1.103 5.691 1.00 0.00 C ATOM 930 O GLU A 63 -1.963 1.178 6.371 1.00 0.00 O ATOM 931 CB GLU A 63 0.806 1.100 7.483 1.00 0.00 C ATOM 932 CG GLU A 63 2.315 1.026 7.649 1.00 0.00 C ATOM 933 CD GLU A 63 2.741 -0.033 8.647 1.00 0.00 C ATOM 934 OE1 GLU A 63 2.838 0.288 9.849 1.00 0.00 O ATOM 935 OE2 GLU A 63 2.977 -1.184 8.224 1.00 0.00 O ATOM 0 H GLU A 63 -0.709 3.473 6.651 1.00 0.00 H new ATOM 0 HA GLU A 63 1.131 1.561 5.410 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.385 1.670 8.311 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.392 0.094 7.546 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.773 0.815 6.683 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.689 1.997 7.973 1.00 0.00 H new ATOM 942 N LEU A 64 -0.894 0.478 4.519 1.00 0.00 N ATOM 943 CA LEU A 64 -2.071 -0.171 3.952 1.00 0.00 C ATOM 944 C LEU A 64 -2.048 -1.672 4.221 1.00 0.00 C ATOM 945 O LEU A 64 -1.090 -2.360 3.870 1.00 0.00 O ATOM 946 CB LEU A 64 -2.144 0.088 2.446 1.00 0.00 C ATOM 947 CG LEU A 64 -2.990 -0.896 1.637 1.00 0.00 C ATOM 948 CD1 LEU A 64 -4.428 -0.896 2.131 1.00 0.00 C ATOM 949 CD2 LEU A 64 -2.933 -0.554 0.155 1.00 0.00 C ATOM 0 H LEU A 64 -0.055 0.407 3.943 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.955 0.251 4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.540 1.091 2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.130 0.079 2.046 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.581 -1.897 1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.015 -1.602 1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.452 -1.189 3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.850 0.103 2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.540 -1.264 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.317 0.454 -0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.901 -0.607 -0.191 1.00 0.00 H new ATOM 961 N GLN A 65 -3.110 -2.173 4.844 1.00 0.00 N ATOM 962 CA GLN A 65 -3.211 -3.593 5.158 1.00 0.00 C ATOM 963 C GLN A 65 -4.332 -4.248 4.359 1.00 0.00 C ATOM 964 O GLN A 65 -5.513 -4.014 4.619 1.00 0.00 O ATOM 965 CB GLN A 65 -3.454 -3.789 6.656 1.00 0.00 C ATOM 966 CG GLN A 65 -3.211 -5.213 7.130 1.00 0.00 C ATOM 967 CD GLN A 65 -3.518 -5.398 8.603 1.00 0.00 C ATOM 968 OE1 GLN A 65 -4.577 -4.994 9.084 1.00 0.00 O ATOM 969 NE2 GLN A 65 -2.590 -6.011 9.329 1.00 0.00 N ATOM 0 H GLN A 65 -3.912 -1.617 5.141 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.269 -4.068 4.885 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.804 -3.114 7.213 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.481 -3.507 6.889 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.827 -5.896 6.546 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.171 -5.482 6.943 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.727 -6.330 8.889 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.741 -6.163 10.326 1.00 0.00 H new ATOM 978 N ILE A 66 -3.955 -5.070 3.385 1.00 0.00 N ATOM 979 CA ILE A 66 -4.929 -5.760 2.548 1.00 0.00 C ATOM 980 C ILE A 66 -4.963 -7.252 2.860 1.00 0.00 C ATOM 981 O ILE A 66 -4.003 -7.975 2.591 1.00 0.00 O ATOM 982 CB ILE A 66 -4.622 -5.567 1.051 1.00 0.00 C ATOM 983 CG1 ILE A 66 -4.683 -4.083 0.683 1.00 0.00 C ATOM 984 CG2 ILE A 66 -5.598 -6.369 0.203 1.00 0.00 C ATOM 985 CD1 ILE A 66 -4.429 -3.813 -0.783 1.00 0.00 C ATOM 0 H ILE A 66 -2.982 -5.274 3.156 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.902 -5.322 2.770 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.614 -5.930 0.852 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.664 -3.690 0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.948 -3.539 1.277 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.369 -6.223 -0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.510 -7.427 0.450 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.615 -6.033 0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.488 -2.741 -0.971 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.437 -4.175 -1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.179 -4.328 -1.383 1.00 0.00 H new ATOM 997 N CYS A 67 -6.075 -7.707 3.427 1.00 0.00 N ATOM 998 CA CYS A 67 -6.235 -9.114 3.775 1.00 0.00 C ATOM 999 C CYS A 67 -6.763 -9.912 2.587 1.00 0.00 C ATOM 1000 O CYS A 67 -7.209 -9.341 1.592 1.00 0.00 O ATOM 1001 CB CYS A 67 -7.184 -9.262 4.966 1.00 0.00 C ATOM 1002 SG CYS A 67 -6.468 -8.755 6.547 1.00 0.00 S ATOM 0 H CYS A 67 -6.879 -7.122 3.655 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.256 -9.508 4.048 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.080 -8.670 4.779 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -7.499 -10.303 5.039 1.00 0.00 H new ATOM 0 HG CYS A 67 -6.840 -9.583 7.477 1.00 0.00 H new ATOM 1008 N GLY A 68 -6.707 -11.236 2.697 1.00 0.00 N ATOM 1009 CA GLY A 68 -7.181 -12.090 1.624 1.00 0.00 C ATOM 1010 C GLY A 68 -6.531 -11.764 0.294 1.00 0.00 C ATOM 1011 O GLY A 68 -7.220 -11.523 -0.699 1.00 0.00 O ATOM 0 H GLY A 68 -6.342 -11.732 3.510 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.981 -13.131 1.877 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.262 -11.986 1.532 1.00 0.00 H new ATOM 1015 N LEU A 69 -5.203 -11.754 0.272 1.00 0.00 N ATOM 1016 CA LEU A 69 -4.460 -11.453 -0.947 1.00 0.00 C ATOM 1017 C LEU A 69 -4.896 -12.365 -2.089 1.00 0.00 C ATOM 1018 O LEU A 69 -5.493 -13.417 -1.864 1.00 0.00 O ATOM 1019 CB LEU A 69 -2.958 -11.605 -0.702 1.00 0.00 C ATOM 1020 CG LEU A 69 -2.223 -10.348 -0.234 1.00 0.00 C ATOM 1021 CD1 LEU A 69 -0.814 -10.692 0.223 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -2.187 -9.307 -1.343 1.00 0.00 C ATOM 0 H LEU A 69 -4.618 -11.951 1.084 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.673 -10.422 -1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.809 -12.387 0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.493 -11.951 -1.625 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.765 -9.928 0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.307 -9.785 0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.862 -11.401 1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.261 -11.137 -0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.660 -8.420 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.669 -9.717 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.206 -9.038 -1.622 1.00 0.00 H new ATOM 1034 N ALA A 70 -4.590 -11.955 -3.316 1.00 0.00 N ATOM 1035 CA ALA A 70 -4.946 -12.736 -4.494 1.00 0.00 C ATOM 1036 C ALA A 70 -3.974 -12.478 -5.639 1.00 0.00 C ATOM 1037 O ALA A 70 -3.692 -11.329 -5.980 1.00 0.00 O ATOM 1038 CB ALA A 70 -6.370 -12.420 -4.926 1.00 0.00 C ATOM 0 H ALA A 70 -4.096 -11.086 -3.520 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.884 -13.792 -4.231 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.622 -13.010 -5.807 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.058 -12.663 -4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.451 -11.360 -5.165 1.00 0.00 H new ATOM 1044 N VAL A 71 -3.463 -13.553 -6.230 1.00 0.00 N ATOM 1045 CA VAL A 71 -2.521 -13.442 -7.338 1.00 0.00 C ATOM 1046 C VAL A 71 -2.977 -12.390 -8.343 1.00 0.00 C ATOM 1047 O VAL A 71 -2.158 -11.753 -9.004 1.00 0.00 O ATOM 1048 CB VAL A 71 -2.348 -14.789 -8.064 1.00 0.00 C ATOM 1049 CG1 VAL A 71 -1.647 -14.590 -9.399 1.00 0.00 C ATOM 1050 CG2 VAL A 71 -1.581 -15.770 -7.191 1.00 0.00 C ATOM 0 H VAL A 71 -3.685 -14.511 -5.960 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.564 -13.142 -6.912 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.336 -15.207 -8.258 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.534 -15.553 -9.897 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.240 -13.924 -10.026 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.664 -14.150 -9.232 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.468 -16.716 -7.720 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.596 -15.362 -6.963 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.128 -15.936 -6.263 1.00 0.00 H new ATOM 1060 N ALA A 72 -4.290 -12.212 -8.451 1.00 0.00 N ATOM 1061 CA ALA A 72 -4.855 -11.235 -9.373 1.00 0.00 C ATOM 1062 C ALA A 72 -4.671 -9.815 -8.849 1.00 0.00 C ATOM 1063 O ALA A 72 -4.475 -8.878 -9.624 1.00 0.00 O ATOM 1064 CB ALA A 72 -6.329 -11.525 -9.611 1.00 0.00 C ATOM 0 H ALA A 72 -4.982 -12.732 -7.911 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.322 -11.316 -10.321 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.738 -10.787 -10.302 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.439 -12.522 -10.038 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.867 -11.474 -8.665 1.00 0.00 H new ATOM 1070 N ASP A 73 -4.736 -9.663 -7.531 1.00 0.00 N ATOM 1071 CA ASP A 73 -4.576 -8.356 -6.904 1.00 0.00 C ATOM 1072 C ASP A 73 -3.228 -7.740 -7.267 1.00 0.00 C ATOM 1073 O ASP A 73 -3.094 -6.520 -7.347 1.00 0.00 O ATOM 1074 CB ASP A 73 -4.703 -8.478 -5.384 1.00 0.00 C ATOM 1075 CG ASP A 73 -6.027 -9.083 -4.960 1.00 0.00 C ATOM 1076 OD1 ASP A 73 -6.986 -9.030 -5.758 1.00 0.00 O ATOM 1077 OD2 ASP A 73 -6.103 -9.610 -3.831 1.00 0.00 O ATOM 0 H ASP A 73 -4.898 -10.428 -6.876 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.365 -7.702 -7.276 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.887 -9.092 -5.002 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.597 -7.491 -4.933 1.00 0.00 H new ATOM 1082 N ALA A 74 -2.233 -8.594 -7.483 1.00 0.00 N ATOM 1083 CA ALA A 74 -0.896 -8.133 -7.838 1.00 0.00 C ATOM 1084 C ALA A 74 -0.944 -7.163 -9.014 1.00 0.00 C ATOM 1085 O ALA A 74 -1.822 -7.252 -9.870 1.00 0.00 O ATOM 1086 CB ALA A 74 0.000 -9.318 -8.166 1.00 0.00 C ATOM 0 H ALA A 74 -2.327 -9.608 -7.419 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.481 -7.603 -6.980 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.995 -8.960 -8.429 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.068 -9.974 -7.298 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.421 -9.871 -9.006 1.00 0.00 H new ATOM 1092 N GLY A 75 0.007 -6.234 -9.047 1.00 0.00 N ATOM 1093 CA GLY A 75 0.055 -5.259 -10.122 1.00 0.00 C ATOM 1094 C GLY A 75 0.933 -4.070 -9.787 1.00 0.00 C ATOM 1095 O GLY A 75 2.134 -4.084 -10.055 1.00 0.00 O ATOM 0 H GLY A 75 0.745 -6.139 -8.349 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.428 -5.739 -11.027 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.955 -4.911 -10.339 1.00 0.00 H new ATOM 1099 N GLU A 76 0.333 -3.039 -9.203 1.00 0.00 N ATOM 1100 CA GLU A 76 1.069 -1.835 -8.834 1.00 0.00 C ATOM 1101 C GLU A 76 0.197 -0.895 -8.007 1.00 0.00 C ATOM 1102 O GLU A 76 -0.783 -0.341 -8.506 1.00 0.00 O ATOM 1103 CB GLU A 76 1.571 -1.114 -10.087 1.00 0.00 C ATOM 1104 CG GLU A 76 2.272 0.201 -9.792 1.00 0.00 C ATOM 1105 CD GLU A 76 2.601 0.982 -11.050 1.00 0.00 C ATOM 1106 OE1 GLU A 76 1.658 1.378 -11.766 1.00 0.00 O ATOM 1107 OE2 GLU A 76 3.802 1.195 -11.320 1.00 0.00 O ATOM 0 H GLU A 76 -0.661 -3.012 -8.975 1.00 0.00 H new ATOM 0 HA GLU A 76 1.924 -2.134 -8.228 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.257 -1.770 -10.623 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.727 -0.925 -10.750 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.638 0.809 -9.146 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.191 0.003 -9.241 1.00 0.00 H new ATOM 1114 N TYR A 77 0.560 -0.721 -6.742 1.00 0.00 N ATOM 1115 CA TYR A 77 -0.190 0.149 -5.844 1.00 0.00 C ATOM 1116 C TYR A 77 0.440 1.537 -5.777 1.00 0.00 C ATOM 1117 O TYR A 77 1.617 1.712 -6.091 1.00 0.00 O ATOM 1118 CB TYR A 77 -0.254 -0.462 -4.443 1.00 0.00 C ATOM 1119 CG TYR A 77 -1.085 -1.723 -4.370 1.00 0.00 C ATOM 1120 CD1 TYR A 77 -0.700 -2.873 -5.047 1.00 0.00 C ATOM 1121 CD2 TYR A 77 -2.256 -1.765 -3.622 1.00 0.00 C ATOM 1122 CE1 TYR A 77 -1.456 -4.027 -4.984 1.00 0.00 C ATOM 1123 CE2 TYR A 77 -3.018 -2.915 -3.551 1.00 0.00 C ATOM 1124 CZ TYR A 77 -2.614 -4.043 -4.235 1.00 0.00 C ATOM 1125 OH TYR A 77 -3.370 -5.191 -4.168 1.00 0.00 O ATOM 0 H TYR A 77 1.369 -1.171 -6.315 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.202 0.248 -6.237 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.759 -0.684 -4.106 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.665 0.275 -3.753 1.00 0.00 H new ATOM 0 HD1 TYR A 77 0.207 -2.865 -5.633 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.576 -0.883 -3.087 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.142 -4.912 -5.518 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.924 -2.931 -2.964 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.152 -5.035 -3.599 1.00 0.00 H new ATOM 1135 N SER A 78 -0.353 2.521 -5.366 1.00 0.00 N ATOM 1136 CA SER A 78 0.124 3.894 -5.260 1.00 0.00 C ATOM 1137 C SER A 78 -0.538 4.611 -4.087 1.00 0.00 C ATOM 1138 O SER A 78 -1.691 4.340 -3.751 1.00 0.00 O ATOM 1139 CB SER A 78 -0.152 4.654 -6.559 1.00 0.00 C ATOM 1140 OG SER A 78 -0.134 3.780 -7.675 1.00 0.00 O ATOM 0 H SER A 78 -1.330 2.392 -5.101 1.00 0.00 H new ATOM 0 HA SER A 78 1.200 3.866 -5.085 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.121 5.148 -6.496 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.596 5.435 -6.693 1.00 0.00 H new ATOM 0 HG SER A 78 -0.314 4.290 -8.492 1.00 0.00 H new ATOM 1146 N CYS A 79 0.200 5.526 -3.469 1.00 0.00 N ATOM 1147 CA CYS A 79 -0.314 6.283 -2.333 1.00 0.00 C ATOM 1148 C CYS A 79 -0.346 7.776 -2.643 1.00 0.00 C ATOM 1149 O CYS A 79 0.693 8.433 -2.692 1.00 0.00 O ATOM 1150 CB CYS A 79 0.544 6.026 -1.093 1.00 0.00 C ATOM 1151 SG CYS A 79 -0.116 6.753 0.425 1.00 0.00 S ATOM 0 H CYS A 79 1.156 5.762 -3.735 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.333 5.950 -2.137 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.648 4.950 -0.953 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.544 6.422 -1.268 1.00 0.00 H new ATOM 0 HG CYS A 79 0.802 6.745 1.345 1.00 0.00 H new ATOM 1157 N VAL A 80 -1.548 8.305 -2.855 1.00 0.00 N ATOM 1158 CA VAL A 80 -1.717 9.720 -3.161 1.00 0.00 C ATOM 1159 C VAL A 80 -1.889 10.541 -1.889 1.00 0.00 C ATOM 1160 O VAL A 80 -2.695 10.201 -1.022 1.00 0.00 O ATOM 1161 CB VAL A 80 -2.931 9.954 -4.079 1.00 0.00 C ATOM 1162 CG1 VAL A 80 -2.985 11.405 -4.533 1.00 0.00 C ATOM 1163 CG2 VAL A 80 -2.885 9.014 -5.274 1.00 0.00 C ATOM 0 H VAL A 80 -2.418 7.774 -2.820 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.813 10.042 -3.677 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.838 9.741 -3.514 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.849 11.552 -5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.069 12.056 -3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.075 11.649 -5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.751 9.194 -5.912 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.972 9.193 -5.842 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.899 7.981 -4.925 1.00 0.00 H new ATOM 1173 N CYS A 81 -1.126 11.624 -1.782 1.00 0.00 N ATOM 1174 CA CYS A 81 -1.194 12.495 -0.615 1.00 0.00 C ATOM 1175 C CYS A 81 -1.726 13.873 -0.995 1.00 0.00 C ATOM 1176 O CYS A 81 -2.428 14.516 -0.215 1.00 0.00 O ATOM 1177 CB CYS A 81 0.187 12.627 0.030 1.00 0.00 C ATOM 1178 SG CYS A 81 0.209 13.644 1.525 1.00 0.00 S ATOM 0 H CYS A 81 -0.453 11.919 -2.490 1.00 0.00 H new ATOM 0 HA CYS A 81 -1.881 12.047 0.103 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.558 11.632 0.275 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.877 13.055 -0.698 1.00 0.00 H new ATOM 0 HG CYS A 81 -0.813 14.447 1.519 1.00 0.00 H new ATOM 1184 N GLY A 82 -1.383 14.323 -2.198 1.00 0.00 N ATOM 1185 CA GLY A 82 -1.833 15.623 -2.660 1.00 0.00 C ATOM 1186 C GLY A 82 -1.388 15.921 -4.078 1.00 0.00 C ATOM 1187 O GLY A 82 -2.026 15.489 -5.038 1.00 0.00 O ATOM 0 H GLY A 82 -0.801 13.810 -2.861 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.921 15.667 -2.607 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.450 16.395 -1.993 1.00 0.00 H new ATOM 1191 N GLU A 83 -0.292 16.661 -4.210 1.00 0.00 N ATOM 1192 CA GLU A 83 0.235 17.018 -5.522 1.00 0.00 C ATOM 1193 C GLU A 83 1.103 15.895 -6.083 1.00 0.00 C ATOM 1194 O GLU A 83 1.202 15.721 -7.297 1.00 0.00 O ATOM 1195 CB GLU A 83 1.048 18.311 -5.435 1.00 0.00 C ATOM 1196 CG GLU A 83 0.192 19.562 -5.327 1.00 0.00 C ATOM 1197 CD GLU A 83 -1.162 19.402 -5.991 1.00 0.00 C ATOM 1198 OE1 GLU A 83 -1.260 19.656 -7.210 1.00 0.00 O ATOM 1199 OE2 GLU A 83 -2.124 19.022 -5.291 1.00 0.00 O ATOM 0 H GLU A 83 0.248 17.025 -3.425 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.609 17.173 -6.195 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.709 18.257 -4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.683 18.391 -6.317 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.050 19.810 -4.275 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.720 20.399 -5.784 1.00 0.00 H new ATOM 1206 N GLU A 84 1.730 15.137 -5.189 1.00 0.00 N ATOM 1207 CA GLU A 84 2.591 14.032 -5.595 1.00 0.00 C ATOM 1208 C GLU A 84 1.980 12.691 -5.196 1.00 0.00 C ATOM 1209 O GLU A 84 0.936 12.642 -4.545 1.00 0.00 O ATOM 1210 CB GLU A 84 3.978 14.180 -4.967 1.00 0.00 C ATOM 1211 CG GLU A 84 4.592 15.555 -5.164 1.00 0.00 C ATOM 1212 CD GLU A 84 4.454 16.057 -6.588 1.00 0.00 C ATOM 1213 OE1 GLU A 84 3.400 16.645 -6.910 1.00 0.00 O ATOM 1214 OE2 GLU A 84 5.398 15.862 -7.381 1.00 0.00 O ATOM 0 H GLU A 84 1.658 15.268 -4.180 1.00 0.00 H new ATOM 0 HA GLU A 84 2.687 14.059 -6.680 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.908 13.972 -3.899 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.643 13.430 -5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.115 16.262 -4.486 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.648 15.519 -4.896 1.00 0.00 H new ATOM 1221 N ARG A 85 2.638 11.607 -5.592 1.00 0.00 N ATOM 1222 CA ARG A 85 2.160 10.266 -5.278 1.00 0.00 C ATOM 1223 C ARG A 85 3.231 9.222 -5.581 1.00 0.00 C ATOM 1224 O ARG A 85 3.969 9.339 -6.560 1.00 0.00 O ATOM 1225 CB ARG A 85 0.890 9.955 -6.073 1.00 0.00 C ATOM 1226 CG ARG A 85 0.393 8.530 -5.894 1.00 0.00 C ATOM 1227 CD ARG A 85 -0.329 8.032 -7.136 1.00 0.00 C ATOM 1228 NE ARG A 85 0.584 7.397 -8.082 1.00 0.00 N ATOM 1229 CZ ARG A 85 0.326 7.267 -9.379 1.00 0.00 C ATOM 1230 NH1 ARG A 85 -0.813 7.726 -9.880 1.00 0.00 N ATOM 1231 NH2 ARG A 85 1.207 6.678 -10.177 1.00 0.00 N ATOM 0 H ARG A 85 3.504 11.631 -6.131 1.00 0.00 H new ATOM 0 HA ARG A 85 1.932 10.229 -4.213 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.103 10.646 -5.770 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.081 10.134 -7.131 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.236 7.874 -5.674 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.279 8.483 -5.037 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.102 7.321 -6.845 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.832 8.868 -7.623 1.00 0.00 H new ATOM 0 HE ARG A 85 1.469 7.033 -7.728 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.493 8.180 -9.269 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.009 7.625 -10.876 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.084 6.324 -9.795 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.007 6.579 -11.172 1.00 0.00 H new ATOM 1245 N THR A 86 3.311 8.201 -4.734 1.00 0.00 N ATOM 1246 CA THR A 86 4.292 7.137 -4.909 1.00 0.00 C ATOM 1247 C THR A 86 3.624 5.840 -5.350 1.00 0.00 C ATOM 1248 O THR A 86 2.407 5.690 -5.242 1.00 0.00 O ATOM 1249 CB THR A 86 5.080 6.880 -3.611 1.00 0.00 C ATOM 1250 OG1 THR A 86 6.004 5.804 -3.804 1.00 0.00 O ATOM 1251 CG2 THR A 86 4.138 6.548 -2.463 1.00 0.00 C ATOM 0 H THR A 86 2.708 8.088 -3.919 1.00 0.00 H new ATOM 0 HA THR A 86 4.982 7.469 -5.685 1.00 0.00 H new ATOM 0 HB THR A 86 5.628 7.788 -3.359 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.534 4.949 -3.714 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.717 6.370 -1.557 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.455 7.382 -2.300 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.566 5.653 -2.709 1.00 0.00 H new ATOM 1259 N SER A 87 4.427 4.905 -5.846 1.00 0.00 N ATOM 1260 CA SER A 87 3.912 3.620 -6.307 1.00 0.00 C ATOM 1261 C SER A 87 4.941 2.514 -6.091 1.00 0.00 C ATOM 1262 O SER A 87 6.147 2.756 -6.136 1.00 0.00 O ATOM 1263 CB SER A 87 3.534 3.700 -7.787 1.00 0.00 C ATOM 1264 OG SER A 87 2.973 4.962 -8.103 1.00 0.00 O ATOM 0 H SER A 87 5.437 5.012 -5.939 1.00 0.00 H new ATOM 0 HA SER A 87 3.022 3.382 -5.725 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.418 3.528 -8.401 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.821 2.911 -8.026 1.00 0.00 H new ATOM 0 HG SER A 87 2.063 4.839 -8.446 1.00 0.00 H new ATOM 1270 N ALA A 88 4.455 1.300 -5.858 1.00 0.00 N ATOM 1271 CA ALA A 88 5.330 0.156 -5.637 1.00 0.00 C ATOM 1272 C ALA A 88 4.714 -1.122 -6.197 1.00 0.00 C ATOM 1273 O ALA A 88 3.565 -1.451 -5.902 1.00 0.00 O ATOM 1274 CB ALA A 88 5.626 -0.005 -4.154 1.00 0.00 C ATOM 0 H ALA A 88 3.459 1.083 -5.817 1.00 0.00 H new ATOM 0 HA ALA A 88 6.266 0.339 -6.165 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.281 -0.864 -4.005 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.116 0.894 -3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.693 -0.161 -3.612 1.00 0.00 H new ATOM 1280 N THR A 89 5.486 -1.841 -7.007 1.00 0.00 N ATOM 1281 CA THR A 89 5.016 -3.082 -7.609 1.00 0.00 C ATOM 1282 C THR A 89 4.805 -4.160 -6.553 1.00 0.00 C ATOM 1283 O THR A 89 5.696 -4.440 -5.750 1.00 0.00 O ATOM 1284 CB THR A 89 6.007 -3.603 -8.667 1.00 0.00 C ATOM 1285 OG1 THR A 89 6.348 -2.552 -9.578 1.00 0.00 O ATOM 1286 CG2 THR A 89 5.411 -4.773 -9.436 1.00 0.00 C ATOM 0 H THR A 89 6.440 -1.584 -7.261 1.00 0.00 H new ATOM 0 HA THR A 89 4.064 -2.859 -8.091 1.00 0.00 H new ATOM 0 HB THR A 89 6.906 -3.945 -8.154 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.980 -2.891 -10.246 1.00 0.00 H new ATOM 0 HG21 THR A 89 6.129 -5.124 -10.178 1.00 0.00 H new ATOM 0 HG22 THR A 89 5.178 -5.582 -8.744 1.00 0.00 H new ATOM 0 HG23 THR A 89 4.498 -4.451 -9.938 1.00 0.00 H new ATOM 1294 N LEU A 90 3.622 -4.763 -6.558 1.00 0.00 N ATOM 1295 CA LEU A 90 3.293 -5.813 -5.600 1.00 0.00 C ATOM 1296 C LEU A 90 3.167 -7.165 -6.295 1.00 0.00 C ATOM 1297 O LEU A 90 2.323 -7.348 -7.173 1.00 0.00 O ATOM 1298 CB LEU A 90 1.991 -5.477 -4.871 1.00 0.00 C ATOM 1299 CG LEU A 90 1.377 -6.604 -4.040 1.00 0.00 C ATOM 1300 CD1 LEU A 90 2.257 -6.924 -2.842 1.00 0.00 C ATOM 1301 CD2 LEU A 90 -0.027 -6.229 -3.588 1.00 0.00 C ATOM 0 H LEU A 90 2.874 -4.543 -7.215 1.00 0.00 H new ATOM 0 HA LEU A 90 4.103 -5.874 -4.873 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.175 -4.627 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.257 -5.156 -5.610 1.00 0.00 H new ATOM 0 HG LEU A 90 1.310 -7.495 -4.664 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.804 -7.728 -2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.243 -7.236 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.356 -6.037 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.449 -7.043 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.016 -5.325 -2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.655 -6.051 -4.461 1.00 0.00 H new ATOM 1313 N THR A 91 4.010 -8.112 -5.895 1.00 0.00 N ATOM 1314 CA THR A 91 3.992 -9.447 -6.478 1.00 0.00 C ATOM 1315 C THR A 91 3.316 -10.445 -5.546 1.00 0.00 C ATOM 1316 O THR A 91 3.621 -10.502 -4.354 1.00 0.00 O ATOM 1317 CB THR A 91 5.417 -9.941 -6.795 1.00 0.00 C ATOM 1318 OG1 THR A 91 6.093 -8.988 -7.623 1.00 0.00 O ATOM 1319 CG2 THR A 91 5.378 -11.291 -7.495 1.00 0.00 C ATOM 0 H THR A 91 4.714 -7.978 -5.169 1.00 0.00 H new ATOM 0 HA THR A 91 3.424 -9.379 -7.406 1.00 0.00 H new ATOM 0 HB THR A 91 5.957 -10.052 -5.855 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.998 -9.308 -7.818 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.395 -11.620 -7.709 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.889 -12.021 -6.850 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.822 -11.201 -8.428 1.00 0.00 H new ATOM 1327 N VAL A 92 2.397 -11.233 -6.095 1.00 0.00 N ATOM 1328 CA VAL A 92 1.679 -12.231 -5.312 1.00 0.00 C ATOM 1329 C VAL A 92 2.066 -13.644 -5.735 1.00 0.00 C ATOM 1330 O VAL A 92 2.277 -13.914 -6.917 1.00 0.00 O ATOM 1331 CB VAL A 92 0.154 -12.064 -5.453 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -0.573 -13.234 -4.808 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -0.296 -10.745 -4.844 1.00 0.00 C ATOM 0 H VAL A 92 2.132 -11.199 -7.079 1.00 0.00 H new ATOM 0 HA VAL A 92 1.959 -12.077 -4.270 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.096 -12.052 -6.514 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.649 -13.099 -4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.273 -14.162 -5.295 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.319 -13.281 -3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.376 -10.644 -4.953 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.034 -10.725 -3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.199 -9.920 -5.356 1.00 0.00 H new ATOM 1343 N LYS A 93 2.156 -14.543 -4.761 1.00 0.00 N ATOM 1344 CA LYS A 93 2.516 -15.930 -5.031 1.00 0.00 C ATOM 1345 C LYS A 93 1.294 -16.838 -4.933 1.00 0.00 C ATOM 1346 O LYS A 93 0.183 -16.374 -4.680 1.00 0.00 O ATOM 1347 CB LYS A 93 3.593 -16.399 -4.049 1.00 0.00 C ATOM 1348 CG LYS A 93 4.763 -15.439 -3.925 1.00 0.00 C ATOM 1349 CD LYS A 93 5.683 -15.522 -5.131 1.00 0.00 C ATOM 1350 CE LYS A 93 5.326 -14.478 -6.178 1.00 0.00 C ATOM 1351 NZ LYS A 93 6.196 -14.580 -7.382 1.00 0.00 N ATOM 0 H LYS A 93 1.985 -14.336 -3.777 1.00 0.00 H new ATOM 0 HA LYS A 93 2.909 -15.987 -6.046 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.142 -16.537 -3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.965 -17.372 -4.369 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.389 -14.420 -3.821 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.327 -15.666 -3.020 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.716 -15.381 -4.812 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.619 -16.517 -5.571 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.283 -14.600 -6.472 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.421 -13.482 -5.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.697 -14.187 -8.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.074 -14.046 -7.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.425 -15.578 -7.561 1.00 0.00 H new ATOM 1365 N ALA A 94 1.508 -18.134 -5.135 1.00 0.00 N ATOM 1366 CA ALA A 94 0.425 -19.107 -5.066 1.00 0.00 C ATOM 1367 C ALA A 94 0.605 -20.046 -3.878 1.00 0.00 C ATOM 1368 O ALA A 94 1.409 -20.977 -3.926 1.00 0.00 O ATOM 1369 CB ALA A 94 0.345 -19.901 -6.361 1.00 0.00 C ATOM 0 H ALA A 94 2.422 -18.534 -5.348 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.510 -18.563 -4.928 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.468 -20.624 -6.295 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.160 -19.222 -7.193 1.00 0.00 H new ATOM 0 HB3 ALA A 94 1.286 -20.427 -6.524 1.00 0.00 H new