USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 420 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 65 THR OG1 : rot -160:sc= -0.316 USER MOD Set 1.2: A 68 MET CE :methyl 177:sc= -1.96 (180deg=-2.01) USER MOD Set 2.1: A 55 HIS :FLIP no HD1:sc= -3.91 F(o=-5.9,f=-4.6) USER MOD Set 2.2: A 60 THR OG1 : rot 180:sc= -0.72 USER MOD Single : A 47 TYR OH : rot -60:sc= 2.02 USER MOD Single : A 48 SER OG : rot 153:sc= -0.0791 USER MOD Single : A 53 LYS NZ :NH3+ -173:sc= 0.577 (180deg=0.42) USER MOD Single : A 54 THR OG1 : rot 75:sc= 0.0853 USER MOD Single : A 57 SER OG : rot -82:sc= 0.157 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0105) USER MOD Single : A 73 CYS SG : rot -130:sc= -2.53 USER MOD Single : A 76 TYR OH : rot 150:sc= -0.207 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -160:sc= -0.413 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 152:sc= -0.56 (180deg=-1.86!) USER MOD Single : A 85 GLN : amide:sc= -0.0877 X(o=-0.088,f=-0.0037) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS :FLIP no HD1:sc= -3.34! C(o=-4.2!,f=-3.3!) USER MOD Single : A 96 GLN : amide:sc= -0.283 K(o=-0.28,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 54 N TYR A 47 -4.505 4.643 5.628 1.00 0.00 N ATOM 55 CA TYR A 47 -4.226 3.317 5.092 1.00 0.00 C ATOM 56 C TYR A 47 -3.996 2.317 6.219 1.00 0.00 C ATOM 57 O TYR A 47 -2.885 1.824 6.412 1.00 0.00 O ATOM 58 CB TYR A 47 -3.005 3.362 4.170 1.00 0.00 C ATOM 59 CG TYR A 47 -3.164 4.307 2.999 1.00 0.00 C ATOM 60 CD1 TYR A 47 -4.370 4.400 2.315 1.00 0.00 C ATOM 61 CD2 TYR A 47 -2.109 5.107 2.579 1.00 0.00 C ATOM 62 CE1 TYR A 47 -4.519 5.262 1.245 1.00 0.00 C ATOM 63 CE2 TYR A 47 -2.250 5.972 1.510 1.00 0.00 C ATOM 64 CZ TYR A 47 -3.457 6.045 0.847 1.00 0.00 C ATOM 65 OH TYR A 47 -3.601 6.906 -0.217 1.00 0.00 O ATOM 0 HA TYR A 47 -5.092 2.993 4.515 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.132 3.661 4.751 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.808 2.359 3.792 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.205 3.789 2.625 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.163 5.052 3.096 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.463 5.322 0.723 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.420 6.587 1.196 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.831 6.396 -1.022 1.00 0.00 H new ATOM 75 N SER A 48 -5.059 2.021 6.957 1.00 0.00 N ATOM 76 CA SER A 48 -4.983 1.076 8.064 1.00 0.00 C ATOM 77 C SER A 48 -4.811 -0.341 7.541 1.00 0.00 C ATOM 78 O SER A 48 -3.861 -1.036 7.898 1.00 0.00 O ATOM 79 CB SER A 48 -6.239 1.167 8.932 1.00 0.00 C ATOM 80 OG SER A 48 -7.403 0.883 8.175 1.00 0.00 O ATOM 0 H SER A 48 -5.985 2.422 6.809 1.00 0.00 H new ATOM 0 HA SER A 48 -4.117 1.331 8.675 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.162 0.466 9.763 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.316 2.165 9.363 1.00 0.00 H new ATOM 0 HG SER A 48 -8.099 0.528 8.766 1.00 0.00 H new ATOM 86 N GLU A 49 -5.738 -0.750 6.681 1.00 0.00 N ATOM 87 CA GLU A 49 -5.722 -2.072 6.077 1.00 0.00 C ATOM 88 C GLU A 49 -7.026 -2.332 5.329 1.00 0.00 C ATOM 89 O GLU A 49 -7.028 -2.955 4.272 1.00 0.00 O ATOM 90 CB GLU A 49 -5.508 -3.158 7.133 1.00 0.00 C ATOM 91 CG GLU A 49 -6.732 -3.438 7.992 1.00 0.00 C ATOM 92 CD GLU A 49 -6.371 -3.944 9.375 1.00 0.00 C ATOM 93 OE1 GLU A 49 -6.206 -5.172 9.533 1.00 0.00 O ATOM 94 OE2 GLU A 49 -6.254 -3.113 10.299 1.00 0.00 O ATOM 0 H GLU A 49 -6.523 -0.170 6.384 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.891 -2.105 5.372 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.208 -4.080 6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.683 -2.863 7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.322 -2.526 8.085 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.361 -4.175 7.492 1.00 0.00 H new ATOM 101 N GLU A 50 -8.135 -1.849 5.883 1.00 0.00 N ATOM 102 CA GLU A 50 -9.440 -2.029 5.255 1.00 0.00 C ATOM 103 C GLU A 50 -9.444 -1.451 3.848 1.00 0.00 C ATOM 104 O GLU A 50 -9.746 -2.152 2.882 1.00 0.00 O ATOM 105 CB GLU A 50 -10.541 -1.381 6.099 1.00 0.00 C ATOM 106 CG GLU A 50 -10.246 0.059 6.491 1.00 0.00 C ATOM 107 CD GLU A 50 -10.750 0.400 7.879 1.00 0.00 C ATOM 108 OE1 GLU A 50 -10.217 -0.162 8.859 1.00 0.00 O ATOM 109 OE2 GLU A 50 -11.678 1.229 7.987 1.00 0.00 O ATOM 0 H GLU A 50 -8.156 -1.332 6.762 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.639 -3.099 5.190 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.478 -1.412 5.543 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.688 -1.971 7.003 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.171 0.231 6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.706 0.731 5.766 1.00 0.00 H new ATOM 116 N GLU A 51 -9.089 -0.177 3.730 1.00 0.00 N ATOM 117 CA GLU A 51 -9.038 0.468 2.429 1.00 0.00 C ATOM 118 C GLU A 51 -8.016 -0.245 1.559 1.00 0.00 C ATOM 119 O GLU A 51 -8.251 -0.495 0.377 1.00 0.00 O ATOM 120 CB GLU A 51 -8.677 1.949 2.573 1.00 0.00 C ATOM 121 CG GLU A 51 -9.581 2.875 1.777 1.00 0.00 C ATOM 122 CD GLU A 51 -9.116 4.318 1.815 1.00 0.00 C ATOM 123 OE1 GLU A 51 -7.904 4.556 1.631 1.00 0.00 O ATOM 124 OE2 GLU A 51 -9.964 5.210 2.028 1.00 0.00 O ATOM 0 H GLU A 51 -8.835 0.424 4.514 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.020 0.407 1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.725 2.225 3.626 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.646 2.096 2.251 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.620 2.537 0.742 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.595 2.813 2.171 1.00 0.00 H new ATOM 131 N LEU A 52 -6.886 -0.592 2.168 1.00 0.00 N ATOM 132 CA LEU A 52 -5.830 -1.302 1.467 1.00 0.00 C ATOM 133 C LEU A 52 -6.353 -2.630 0.938 1.00 0.00 C ATOM 134 O LEU A 52 -6.202 -2.946 -0.242 1.00 0.00 O ATOM 135 CB LEU A 52 -4.639 -1.534 2.393 1.00 0.00 C ATOM 136 CG LEU A 52 -4.082 -0.267 3.038 1.00 0.00 C ATOM 137 CD1 LEU A 52 -3.078 -0.615 4.125 1.00 0.00 C ATOM 138 CD2 LEU A 52 -3.445 0.630 1.985 1.00 0.00 C ATOM 0 H LEU A 52 -6.681 -0.391 3.147 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.500 -0.694 0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.937 -2.227 3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.843 -2.018 1.827 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.907 0.276 3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.693 0.302 4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.566 -1.216 4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.254 -1.181 3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.053 1.529 2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.632 0.095 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.194 0.909 1.244 1.00 0.00 H new ATOM 150 N LYS A 53 -6.990 -3.397 1.821 1.00 0.00 N ATOM 151 CA LYS A 53 -7.562 -4.683 1.449 1.00 0.00 C ATOM 152 C LYS A 53 -8.468 -4.519 0.239 1.00 0.00 C ATOM 153 O LYS A 53 -8.345 -5.244 -0.748 1.00 0.00 O ATOM 154 CB LYS A 53 -8.352 -5.275 2.620 1.00 0.00 C ATOM 155 CG LYS A 53 -7.665 -6.457 3.283 1.00 0.00 C ATOM 156 CD LYS A 53 -7.872 -7.738 2.491 1.00 0.00 C ATOM 157 CE LYS A 53 -6.779 -7.933 1.454 1.00 0.00 C ATOM 158 NZ LYS A 53 -7.309 -7.855 0.065 1.00 0.00 N ATOM 0 H LYS A 53 -7.121 -3.146 2.801 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.751 -5.366 1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.518 -4.497 3.365 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.333 -5.589 2.263 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.598 -6.254 3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.054 -6.586 4.293 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.886 -8.590 3.171 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.843 -7.709 1.997 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.009 -7.174 1.592 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.303 -8.902 1.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.558 -8.110 -0.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.106 -8.514 -0.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.633 -6.886 -0.129 1.00 0.00 H new ATOM 172 N THR A 54 -9.368 -3.544 0.321 1.00 0.00 N ATOM 173 CA THR A 54 -10.286 -3.265 -0.776 1.00 0.00 C ATOM 174 C THR A 54 -9.505 -2.918 -2.032 1.00 0.00 C ATOM 175 O THR A 54 -9.828 -3.377 -3.128 1.00 0.00 O ATOM 176 CB THR A 54 -11.234 -2.122 -0.420 1.00 0.00 C ATOM 177 OG1 THR A 54 -12.035 -2.462 0.698 1.00 0.00 O ATOM 178 CG2 THR A 54 -12.161 -1.747 -1.557 1.00 0.00 C ATOM 0 H THR A 54 -9.481 -2.936 1.133 1.00 0.00 H new ATOM 0 HA THR A 54 -10.882 -4.160 -0.957 1.00 0.00 H new ATOM 0 HB THR A 54 -10.593 -1.269 -0.196 1.00 0.00 H new ATOM 0 HG1 THR A 54 -11.495 -2.411 1.515 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.810 -0.929 -1.243 1.00 0.00 H new ATOM 0 HG22 THR A 54 -11.572 -1.432 -2.418 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.770 -2.609 -1.830 1.00 0.00 H new ATOM 186 N HIS A 55 -8.463 -2.113 -1.858 1.00 0.00 N ATOM 187 CA HIS A 55 -7.618 -1.715 -2.970 1.00 0.00 C ATOM 188 C HIS A 55 -7.036 -2.955 -3.620 1.00 0.00 C ATOM 189 O HIS A 55 -7.131 -3.142 -4.833 1.00 0.00 O ATOM 190 CB HIS A 55 -6.499 -0.787 -2.493 1.00 0.00 C ATOM 191 CG HIS A 55 -6.999 0.454 -1.822 1.00 0.00 C ATOM 192 ND1 HIS A 55 -6.452 1.215 -0.843 1.00 0.00 N flip ATOM 193 CD2 HIS A 55 -8.202 1.049 -2.139 1.00 0.00 C flip ATOM 194 CE1 HIS A 55 -7.327 2.243 -0.591 1.00 0.00 C flip ATOM 195 NE2 HIS A 55 -8.373 2.121 -1.386 1.00 0.00 N flip ATOM 0 H HIS A 55 -8.186 -1.725 -0.956 1.00 0.00 H new ATOM 0 HA HIS A 55 -8.217 -1.170 -3.699 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.857 -1.331 -1.801 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -5.882 -0.506 -3.347 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.896 0.694 -2.886 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.182 3.025 0.140 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.177 2.748 -1.414 1.00 0.00 H new ATOM 204 N ILE A 56 -6.464 -3.823 -2.792 1.00 0.00 N ATOM 205 CA ILE A 56 -5.904 -5.072 -3.279 1.00 0.00 C ATOM 206 C ILE A 56 -6.990 -5.876 -3.985 1.00 0.00 C ATOM 207 O ILE A 56 -6.859 -6.225 -5.158 1.00 0.00 O ATOM 208 CB ILE A 56 -5.294 -5.911 -2.136 1.00 0.00 C ATOM 209 CG1 ILE A 56 -4.243 -5.093 -1.382 1.00 0.00 C ATOM 210 CG2 ILE A 56 -4.679 -7.194 -2.681 1.00 0.00 C ATOM 211 CD1 ILE A 56 -3.956 -5.614 0.010 1.00 0.00 C ATOM 0 H ILE A 56 -6.378 -3.683 -1.785 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.103 -4.831 -3.978 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.090 -6.181 -1.442 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.317 -5.088 -1.957 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.581 -4.059 -1.312 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.254 -7.771 -1.860 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.449 -7.783 -3.179 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.893 -6.946 -3.395 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.202 -4.986 0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.871 -5.594 0.602 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.588 -6.638 -0.053 1.00 0.00 H new ATOM 223 N SER A 57 -8.071 -6.149 -3.256 1.00 0.00 N ATOM 224 CA SER A 57 -9.211 -6.894 -3.792 1.00 0.00 C ATOM 225 C SER A 57 -9.955 -6.108 -4.879 1.00 0.00 C ATOM 226 O SER A 57 -11.183 -6.029 -4.860 1.00 0.00 O ATOM 227 CB SER A 57 -10.179 -7.263 -2.668 1.00 0.00 C ATOM 228 OG SER A 57 -10.366 -6.179 -1.776 1.00 0.00 O ATOM 0 H SER A 57 -8.182 -5.863 -2.283 1.00 0.00 H new ATOM 0 HA SER A 57 -8.816 -7.801 -4.249 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.139 -7.557 -3.093 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.795 -8.125 -2.122 1.00 0.00 H new ATOM 0 HG SER A 57 -9.627 -6.153 -1.133 1.00 0.00 H new ATOM 234 N LYS A 58 -9.219 -5.529 -5.820 1.00 0.00 N ATOM 235 CA LYS A 58 -9.827 -4.756 -6.898 1.00 0.00 C ATOM 236 C LYS A 58 -8.774 -4.292 -7.900 1.00 0.00 C ATOM 237 O LYS A 58 -8.846 -4.618 -9.085 1.00 0.00 O ATOM 238 CB LYS A 58 -10.573 -3.547 -6.327 1.00 0.00 C ATOM 239 CG LYS A 58 -12.067 -3.773 -6.167 1.00 0.00 C ATOM 240 CD LYS A 58 -12.854 -2.499 -6.431 1.00 0.00 C ATOM 241 CE LYS A 58 -14.315 -2.796 -6.726 1.00 0.00 C ATOM 242 NZ LYS A 58 -14.634 -2.636 -8.172 1.00 0.00 N ATOM 0 H LYS A 58 -8.201 -5.580 -5.859 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.535 -5.401 -7.418 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.147 -3.293 -5.357 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.412 -2.690 -6.980 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.394 -4.553 -6.855 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.276 -4.129 -5.158 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.783 -1.841 -5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.413 -1.966 -7.273 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.549 -3.814 -6.413 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.947 -2.129 -6.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.640 -2.848 -8.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.435 -1.658 -8.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.050 -3.290 -8.731 1.00 0.00 H new ATOM 256 N GLY A 59 -7.795 -3.533 -7.418 1.00 0.00 N ATOM 257 CA GLY A 59 -6.741 -3.042 -8.289 1.00 0.00 C ATOM 258 C GLY A 59 -6.583 -1.533 -8.238 1.00 0.00 C ATOM 259 O GLY A 59 -6.082 -0.925 -9.183 1.00 0.00 O ATOM 0 H GLY A 59 -7.712 -3.249 -6.442 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.798 -3.510 -8.008 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.954 -3.345 -9.314 1.00 0.00 H new ATOM 263 N THR A 60 -7.006 -0.926 -7.133 1.00 0.00 N ATOM 264 CA THR A 60 -6.902 0.520 -6.966 1.00 0.00 C ATOM 265 C THR A 60 -5.691 0.889 -6.112 1.00 0.00 C ATOM 266 O THR A 60 -5.305 2.056 -6.043 1.00 0.00 O ATOM 267 CB THR A 60 -8.178 1.074 -6.329 1.00 0.00 C ATOM 268 OG1 THR A 60 -8.788 0.100 -5.501 1.00 0.00 O ATOM 269 CG2 THR A 60 -9.206 1.523 -7.344 1.00 0.00 C ATOM 0 H THR A 60 -7.424 -1.413 -6.340 1.00 0.00 H new ATOM 0 HA THR A 60 -6.773 0.964 -7.953 1.00 0.00 H new ATOM 0 HB THR A 60 -7.860 1.941 -5.750 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.601 0.473 -5.101 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.086 1.905 -6.826 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.782 2.310 -7.968 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.492 0.678 -7.970 1.00 0.00 H new ATOM 277 N LEU A 61 -5.089 -0.109 -5.467 1.00 0.00 N ATOM 278 CA LEU A 61 -3.921 0.124 -4.627 1.00 0.00 C ATOM 279 C LEU A 61 -2.791 0.749 -5.440 1.00 0.00 C ATOM 280 O LEU A 61 -1.906 1.403 -4.890 1.00 0.00 O ATOM 281 CB LEU A 61 -3.451 -1.186 -3.992 1.00 0.00 C ATOM 282 CG LEU A 61 -2.181 -1.075 -3.146 1.00 0.00 C ATOM 283 CD1 LEU A 61 -2.495 -0.459 -1.792 1.00 0.00 C ATOM 284 CD2 LEU A 61 -1.534 -2.442 -2.976 1.00 0.00 C ATOM 0 H LEU A 61 -5.391 -1.082 -5.511 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.202 0.817 -3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.253 -1.577 -3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.280 -1.915 -4.784 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.477 -0.424 -3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.580 -0.388 -1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.914 0.537 -1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.217 -1.084 -1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.632 -2.345 -2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.232 -3.116 -2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.274 -2.846 -3.955 1.00 0.00 H new ATOM 296 N GLY A 62 -2.836 0.552 -6.755 1.00 0.00 N ATOM 297 CA GLY A 62 -1.819 1.111 -7.623 1.00 0.00 C ATOM 298 C GLY A 62 -2.193 2.488 -8.137 1.00 0.00 C ATOM 299 O GLY A 62 -1.641 2.956 -9.133 1.00 0.00 O ATOM 0 H GLY A 62 -3.559 0.015 -7.233 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.875 1.172 -7.081 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.658 0.442 -8.468 1.00 0.00 H new ATOM 303 N LYS A 63 -3.129 3.141 -7.454 1.00 0.00 N ATOM 304 CA LYS A 63 -3.570 4.471 -7.843 1.00 0.00 C ATOM 305 C LYS A 63 -2.759 5.531 -7.107 1.00 0.00 C ATOM 306 O LYS A 63 -2.107 6.373 -7.724 1.00 0.00 O ATOM 307 CB LYS A 63 -5.059 4.649 -7.539 1.00 0.00 C ATOM 308 CG LYS A 63 -5.770 5.582 -8.506 1.00 0.00 C ATOM 309 CD LYS A 63 -6.329 4.827 -9.701 1.00 0.00 C ATOM 310 CE LYS A 63 -7.683 4.211 -9.387 1.00 0.00 C ATOM 311 NZ LYS A 63 -8.805 5.048 -9.895 1.00 0.00 N ATOM 0 H LYS A 63 -3.596 2.767 -6.627 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.414 4.587 -8.916 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.546 3.674 -7.564 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.171 5.035 -6.526 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.580 6.096 -7.988 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.075 6.348 -8.851 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.424 5.505 -10.549 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.631 4.043 -9.996 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.741 3.217 -9.831 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.783 4.085 -8.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.711 4.594 -9.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.765 5.988 -9.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.724 5.147 -10.927 1.00 0.00 H new ATOM 325 N PHE A 64 -2.807 5.477 -5.778 1.00 0.00 N ATOM 326 CA PHE A 64 -2.079 6.423 -4.940 1.00 0.00 C ATOM 327 C PHE A 64 -0.619 6.540 -5.371 1.00 0.00 C ATOM 328 O PHE A 64 -0.045 5.598 -5.918 1.00 0.00 O ATOM 329 CB PHE A 64 -2.153 6.001 -3.471 1.00 0.00 C ATOM 330 CG PHE A 64 -3.546 5.680 -3.010 1.00 0.00 C ATOM 331 CD1 PHE A 64 -4.608 6.507 -3.341 1.00 0.00 C ATOM 332 CD2 PHE A 64 -3.794 4.552 -2.245 1.00 0.00 C ATOM 333 CE1 PHE A 64 -5.890 6.215 -2.918 1.00 0.00 C ATOM 334 CE2 PHE A 64 -5.075 4.254 -1.819 1.00 0.00 C ATOM 335 CZ PHE A 64 -6.125 5.087 -2.156 1.00 0.00 C ATOM 0 H PHE A 64 -3.345 4.784 -5.258 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.550 7.399 -5.059 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.518 5.128 -3.319 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.749 6.801 -2.851 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.431 7.390 -3.937 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.977 3.898 -1.978 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.708 6.868 -3.183 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -5.255 3.371 -1.223 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.127 4.857 -1.824 1.00 0.00 H new ATOM 345 N THR A 65 -0.025 7.699 -5.114 1.00 0.00 N ATOM 346 CA THR A 65 1.368 7.941 -5.467 1.00 0.00 C ATOM 347 C THR A 65 2.305 7.199 -4.521 1.00 0.00 C ATOM 348 O THR A 65 1.880 6.328 -3.762 1.00 0.00 O ATOM 349 CB THR A 65 1.669 9.441 -5.433 1.00 0.00 C ATOM 350 OG1 THR A 65 1.715 9.913 -4.098 1.00 0.00 O ATOM 351 CG2 THR A 65 0.648 10.273 -6.179 1.00 0.00 C ATOM 0 H THR A 65 -0.488 8.487 -4.661 1.00 0.00 H new ATOM 0 HA THR A 65 1.533 7.567 -6.478 1.00 0.00 H new ATOM 0 HB THR A 65 2.635 9.553 -5.925 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.590 10.885 -4.090 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.921 11.326 -6.116 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.623 9.967 -7.225 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.336 10.126 -5.734 1.00 0.00 H new ATOM 359 N VAL A 66 3.583 7.551 -4.576 1.00 0.00 N ATOM 360 CA VAL A 66 4.593 6.927 -3.732 1.00 0.00 C ATOM 361 C VAL A 66 4.532 7.468 -2.299 1.00 0.00 C ATOM 362 O VAL A 66 4.360 6.698 -1.354 1.00 0.00 O ATOM 363 CB VAL A 66 6.004 7.147 -4.316 1.00 0.00 C ATOM 364 CG1 VAL A 66 7.083 6.725 -3.328 1.00 0.00 C ATOM 365 CG2 VAL A 66 6.154 6.392 -5.628 1.00 0.00 C ATOM 0 H VAL A 66 3.946 8.271 -5.201 1.00 0.00 H new ATOM 0 HA VAL A 66 4.383 5.858 -3.705 1.00 0.00 H new ATOM 0 HB VAL A 66 6.129 8.213 -4.508 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.066 6.892 -3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.990 7.313 -2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.967 5.667 -3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.154 6.556 -6.030 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.003 5.327 -5.454 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.413 6.752 -6.342 1.00 0.00 H new ATOM 375 N PRO A 67 4.670 8.796 -2.106 1.00 0.00 N ATOM 376 CA PRO A 67 4.624 9.404 -0.773 1.00 0.00 C ATOM 377 C PRO A 67 3.422 8.927 0.035 1.00 0.00 C ATOM 378 O PRO A 67 3.485 8.823 1.260 1.00 0.00 O ATOM 379 CB PRO A 67 4.527 10.914 -1.049 1.00 0.00 C ATOM 380 CG PRO A 67 4.309 11.048 -2.521 1.00 0.00 C ATOM 381 CD PRO A 67 4.878 9.809 -3.149 1.00 0.00 C ATOM 0 HA PRO A 67 5.496 9.134 -0.178 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.705 11.361 -0.490 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.438 11.427 -0.741 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.248 11.146 -2.749 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.802 11.940 -2.907 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.363 9.550 -4.074 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.933 9.927 -3.395 1.00 0.00 H new ATOM 389 N MET A 68 2.331 8.629 -0.662 1.00 0.00 N ATOM 390 CA MET A 68 1.117 8.151 -0.011 1.00 0.00 C ATOM 391 C MET A 68 1.245 6.670 0.321 1.00 0.00 C ATOM 392 O MET A 68 0.820 6.219 1.385 1.00 0.00 O ATOM 393 CB MET A 68 -0.097 8.383 -0.914 1.00 0.00 C ATOM 394 CG MET A 68 -0.457 9.849 -1.086 1.00 0.00 C ATOM 395 SD MET A 68 -2.190 10.093 -1.520 1.00 0.00 S ATOM 396 CE MET A 68 -2.148 9.761 -3.280 1.00 0.00 C ATOM 0 H MET A 68 2.262 8.710 -1.676 1.00 0.00 H new ATOM 0 HA MET A 68 0.977 8.709 0.915 1.00 0.00 H new ATOM 0 HB2 MET A 68 0.102 7.949 -1.894 1.00 0.00 H new ATOM 0 HB3 MET A 68 -0.954 7.853 -0.499 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.240 10.383 -0.161 1.00 0.00 H new ATOM 0 HG3 MET A 68 0.173 10.285 -1.862 1.00 0.00 H new ATOM 0 HE1 MET A 68 -3.158 9.820 -3.686 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.515 10.498 -3.774 1.00 0.00 H new ATOM 0 HE3 MET A 68 -1.745 8.763 -3.452 1.00 0.00 H new ATOM 406 N LEU A 69 1.846 5.923 -0.597 1.00 0.00 N ATOM 407 CA LEU A 69 2.052 4.493 -0.415 1.00 0.00 C ATOM 408 C LEU A 69 2.926 4.227 0.807 1.00 0.00 C ATOM 409 O LEU A 69 2.680 3.290 1.566 1.00 0.00 O ATOM 410 CB LEU A 69 2.692 3.899 -1.667 1.00 0.00 C ATOM 411 CG LEU A 69 1.701 3.385 -2.713 1.00 0.00 C ATOM 412 CD1 LEU A 69 2.381 3.226 -4.065 1.00 0.00 C ATOM 413 CD2 LEU A 69 1.087 2.069 -2.262 1.00 0.00 C ATOM 0 H LEU A 69 2.201 6.288 -1.481 1.00 0.00 H new ATOM 0 HA LEU A 69 1.085 4.017 -0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.325 4.657 -2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.344 3.077 -1.370 1.00 0.00 H new ATOM 0 HG LEU A 69 0.902 4.118 -2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.659 2.859 -4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.770 4.190 -4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.202 2.514 -3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.384 1.717 -3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.875 1.328 -2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.561 2.217 -1.319 1.00 0.00 H new ATOM 425 N LYS A 70 3.944 5.062 0.993 1.00 0.00 N ATOM 426 CA LYS A 70 4.854 4.924 2.126 1.00 0.00 C ATOM 427 C LYS A 70 4.080 4.861 3.442 1.00 0.00 C ATOM 428 O LYS A 70 4.456 4.133 4.360 1.00 0.00 O ATOM 429 CB LYS A 70 5.846 6.089 2.156 1.00 0.00 C ATOM 430 CG LYS A 70 7.232 5.719 1.651 1.00 0.00 C ATOM 431 CD LYS A 70 7.477 6.251 0.248 1.00 0.00 C ATOM 432 CE LYS A 70 7.719 7.752 0.256 1.00 0.00 C ATOM 433 NZ LYS A 70 9.091 8.091 0.725 1.00 0.00 N ATOM 0 H LYS A 70 4.160 5.843 0.373 1.00 0.00 H new ATOM 0 HA LYS A 70 5.406 3.991 2.006 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.453 6.906 1.550 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.927 6.460 3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.986 6.119 2.329 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.344 4.635 1.654 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.338 5.745 -0.189 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.619 6.023 -0.384 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.570 8.149 -0.748 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.985 8.235 0.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.239 9.118 0.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.202 7.795 1.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.791 7.597 0.136 1.00 0.00 H new ATOM 447 N GLU A 71 2.998 5.630 3.523 1.00 0.00 N ATOM 448 CA GLU A 71 2.169 5.664 4.723 1.00 0.00 C ATOM 449 C GLU A 71 1.693 4.264 5.096 1.00 0.00 C ATOM 450 O GLU A 71 1.869 3.819 6.230 1.00 0.00 O ATOM 451 CB GLU A 71 0.966 6.585 4.513 1.00 0.00 C ATOM 452 CG GLU A 71 0.090 6.731 5.747 1.00 0.00 C ATOM 453 CD GLU A 71 0.648 7.728 6.744 1.00 0.00 C ATOM 454 OE1 GLU A 71 1.564 7.355 7.507 1.00 0.00 O ATOM 455 OE2 GLU A 71 0.170 8.881 6.762 1.00 0.00 O ATOM 0 H GLU A 71 2.675 6.238 2.771 1.00 0.00 H new ATOM 0 HA GLU A 71 2.776 6.052 5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.321 7.570 4.211 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.362 6.199 3.692 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.908 7.046 5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.015 5.760 6.230 1.00 0.00 H new ATOM 462 N ALA A 72 1.094 3.571 4.132 1.00 0.00 N ATOM 463 CA ALA A 72 0.598 2.219 4.359 1.00 0.00 C ATOM 464 C ALA A 72 1.723 1.303 4.827 1.00 0.00 C ATOM 465 O ALA A 72 1.545 0.504 5.747 1.00 0.00 O ATOM 466 CB ALA A 72 -0.039 1.672 3.091 1.00 0.00 C ATOM 0 H ALA A 72 0.941 3.924 3.187 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.159 2.257 5.142 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.405 0.662 3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.871 2.312 2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.702 1.650 2.292 1.00 0.00 H new ATOM 472 N CYS A 73 2.883 1.430 4.191 1.00 0.00 N ATOM 473 CA CYS A 73 4.041 0.620 4.545 1.00 0.00 C ATOM 474 C CYS A 73 4.437 0.853 5.999 1.00 0.00 C ATOM 475 O CYS A 73 4.812 -0.080 6.708 1.00 0.00 O ATOM 476 CB CYS A 73 5.219 0.944 3.624 1.00 0.00 C ATOM 477 SG CYS A 73 5.192 0.047 2.055 1.00 0.00 S ATOM 0 H CYS A 73 3.045 2.087 3.428 1.00 0.00 H new ATOM 0 HA CYS A 73 3.773 -0.429 4.421 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.223 2.015 3.419 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.148 0.716 4.146 1.00 0.00 H new ATOM 0 HG CYS A 73 6.351 -0.506 1.851 1.00 0.00 H new ATOM 483 N ARG A 74 4.346 2.104 6.438 1.00 0.00 N ATOM 484 CA ARG A 74 4.689 2.460 7.809 1.00 0.00 C ATOM 485 C ARG A 74 3.774 1.742 8.797 1.00 0.00 C ATOM 486 O ARG A 74 4.204 1.338 9.877 1.00 0.00 O ATOM 487 CB ARG A 74 4.589 3.974 8.007 1.00 0.00 C ATOM 488 CG ARG A 74 5.930 4.686 7.944 1.00 0.00 C ATOM 489 CD ARG A 74 5.902 6.000 8.710 1.00 0.00 C ATOM 490 NE ARG A 74 6.550 7.081 7.970 1.00 0.00 N ATOM 491 CZ ARG A 74 7.869 7.251 7.909 1.00 0.00 C ATOM 492 NH1 ARG A 74 8.683 6.413 8.538 1.00 0.00 N ATOM 493 NH2 ARG A 74 8.374 8.263 7.216 1.00 0.00 N ATOM 0 H ARG A 74 4.037 2.888 5.863 1.00 0.00 H new ATOM 0 HA ARG A 74 5.716 2.147 7.996 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.931 4.389 7.244 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.125 4.176 8.972 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.705 4.040 8.356 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.193 4.876 6.904 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.868 6.274 8.921 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.400 5.870 9.671 1.00 0.00 H new ATOM 0 HE ARG A 74 5.957 7.744 7.471 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.299 5.633 9.072 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.693 6.548 8.488 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.752 8.910 6.731 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.384 8.395 7.168 1.00 0.00 H new ATOM 507 N ALA A 75 2.510 1.587 8.416 1.00 0.00 N ATOM 508 CA ALA A 75 1.531 0.918 9.264 1.00 0.00 C ATOM 509 C ALA A 75 1.646 -0.597 9.144 1.00 0.00 C ATOM 510 O ALA A 75 1.354 -1.329 10.090 1.00 0.00 O ATOM 511 CB ALA A 75 0.124 1.373 8.906 1.00 0.00 C ATOM 0 H ALA A 75 2.140 1.916 7.524 1.00 0.00 H new ATOM 0 HA ALA A 75 1.736 1.191 10.299 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.597 0.865 9.547 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.042 2.450 9.050 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.083 1.130 7.864 1.00 0.00 H new ATOM 517 N TYR A 76 2.073 -1.063 7.975 1.00 0.00 N ATOM 518 CA TYR A 76 2.227 -2.493 7.732 1.00 0.00 C ATOM 519 C TYR A 76 3.584 -2.991 8.223 1.00 0.00 C ATOM 520 O TYR A 76 3.742 -4.168 8.547 1.00 0.00 O ATOM 521 CB TYR A 76 2.067 -2.798 6.240 1.00 0.00 C ATOM 522 CG TYR A 76 0.642 -3.101 5.829 1.00 0.00 C ATOM 523 CD1 TYR A 76 -0.431 -2.473 6.449 1.00 0.00 C ATOM 524 CD2 TYR A 76 0.371 -4.018 4.821 1.00 0.00 C ATOM 525 CE1 TYR A 76 -1.732 -2.750 6.076 1.00 0.00 C ATOM 526 CE2 TYR A 76 -0.927 -4.300 4.442 1.00 0.00 C ATOM 527 CZ TYR A 76 -1.975 -3.664 5.073 1.00 0.00 C ATOM 528 OH TYR A 76 -3.270 -3.942 4.699 1.00 0.00 O ATOM 0 H TYR A 76 2.319 -0.471 7.181 1.00 0.00 H new ATOM 0 HA TYR A 76 1.449 -3.015 8.289 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.429 -1.946 5.664 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.698 -3.648 5.983 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.245 -1.757 7.235 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.189 -4.519 4.325 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.555 -2.253 6.568 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.120 -5.015 3.656 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.291 -4.187 3.750 1.00 0.00 H new ATOM 538 N GLY A 77 4.559 -2.089 8.275 1.00 0.00 N ATOM 539 CA GLY A 77 5.887 -2.459 8.728 1.00 0.00 C ATOM 540 C GLY A 77 6.755 -3.000 7.608 1.00 0.00 C ATOM 541 O GLY A 77 7.727 -3.713 7.857 1.00 0.00 O ATOM 0 H GLY A 77 4.453 -1.109 8.012 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.372 -1.589 9.170 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.803 -3.210 9.513 1.00 0.00 H new ATOM 545 N LEU A 78 6.404 -2.662 6.371 1.00 0.00 N ATOM 546 CA LEU A 78 7.158 -3.119 5.209 1.00 0.00 C ATOM 547 C LEU A 78 8.393 -2.253 4.985 1.00 0.00 C ATOM 548 O LEU A 78 8.689 -1.358 5.777 1.00 0.00 O ATOM 549 CB LEU A 78 6.272 -3.101 3.962 1.00 0.00 C ATOM 550 CG LEU A 78 4.899 -3.755 4.134 1.00 0.00 C ATOM 551 CD1 LEU A 78 3.858 -3.047 3.279 1.00 0.00 C ATOM 552 CD2 LEU A 78 4.966 -5.234 3.784 1.00 0.00 C ATOM 0 H LEU A 78 5.602 -2.073 6.148 1.00 0.00 H new ATOM 0 HA LEU A 78 7.486 -4.141 5.398 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.128 -2.066 3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.799 -3.606 3.153 1.00 0.00 H new ATOM 0 HG LEU A 78 4.602 -3.663 5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.889 -3.526 3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.791 -2.001 3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.148 -3.106 2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.981 -5.683 3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.285 -5.349 2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.680 -5.731 4.441 1.00 0.00 H new ATOM 564 N LYS A 79 9.113 -2.526 3.901 1.00 0.00 N ATOM 565 CA LYS A 79 10.319 -1.773 3.572 1.00 0.00 C ATOM 566 C LYS A 79 10.020 -0.679 2.552 1.00 0.00 C ATOM 567 O LYS A 79 10.536 0.434 2.651 1.00 0.00 O ATOM 568 CB LYS A 79 11.398 -2.712 3.030 1.00 0.00 C ATOM 569 CG LYS A 79 12.802 -2.134 3.099 1.00 0.00 C ATOM 570 CD LYS A 79 13.164 -1.394 1.821 1.00 0.00 C ATOM 571 CE LYS A 79 14.553 -1.773 1.331 1.00 0.00 C ATOM 572 NZ LYS A 79 14.924 -1.038 0.090 1.00 0.00 N ATOM 0 H LYS A 79 8.882 -3.263 3.235 1.00 0.00 H new ATOM 0 HA LYS A 79 10.682 -1.301 4.485 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.371 -3.645 3.592 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.166 -2.958 1.994 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.875 -1.454 3.948 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.519 -2.937 3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.430 -1.621 1.048 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.120 -0.319 1.997 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.284 -1.560 2.111 1.00 0.00 H new ATOM 0 HE3 LYS A 79 14.591 -2.846 1.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.877 -1.324 -0.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.242 -1.261 -0.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.913 -0.015 0.276 1.00 0.00 H new ATOM 586 N SER A 80 9.184 -1.005 1.573 1.00 0.00 N ATOM 587 CA SER A 80 8.811 -0.054 0.529 1.00 0.00 C ATOM 588 C SER A 80 9.995 0.230 -0.393 1.00 0.00 C ATOM 589 O SER A 80 11.112 -0.221 -0.142 1.00 0.00 O ATOM 590 CB SER A 80 8.290 1.249 1.152 1.00 0.00 C ATOM 591 OG SER A 80 8.973 2.383 0.641 1.00 0.00 O ATOM 0 H SER A 80 8.750 -1.923 1.479 1.00 0.00 H new ATOM 0 HA SER A 80 8.013 -0.497 -0.067 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.223 1.346 0.953 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.410 1.209 2.235 1.00 0.00 H new ATOM 0 HG SER A 80 8.861 3.137 1.256 1.00 0.00 H new ATOM 597 N GLY A 81 9.741 0.979 -1.462 1.00 0.00 N ATOM 598 CA GLY A 81 10.794 1.308 -2.404 1.00 0.00 C ATOM 599 C GLY A 81 10.733 2.751 -2.865 1.00 0.00 C ATOM 600 O GLY A 81 10.638 3.667 -2.048 1.00 0.00 O ATOM 0 H GLY A 81 8.825 1.364 -1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.763 1.119 -1.941 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.720 0.650 -3.270 1.00 0.00 H new ATOM 604 N LEU A 82 10.787 2.953 -4.177 1.00 0.00 N ATOM 605 CA LEU A 82 10.737 4.294 -4.749 1.00 0.00 C ATOM 606 C LEU A 82 10.305 4.242 -6.211 1.00 0.00 C ATOM 607 O LEU A 82 10.982 4.774 -7.092 1.00 0.00 O ATOM 608 CB LEU A 82 12.104 4.973 -4.630 1.00 0.00 C ATOM 609 CG LEU A 82 12.345 5.721 -3.317 1.00 0.00 C ATOM 610 CD1 LEU A 82 13.692 6.426 -3.346 1.00 0.00 C ATOM 611 CD2 LEU A 82 11.225 6.718 -3.059 1.00 0.00 C ATOM 0 H LEU A 82 10.865 2.204 -4.865 1.00 0.00 H new ATOM 0 HA LEU A 82 10.003 4.876 -4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.880 4.216 -4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.217 5.675 -5.456 1.00 0.00 H new ATOM 0 HG LEU A 82 12.354 4.996 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.847 6.953 -2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 82 14.485 5.691 -3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.711 7.140 -4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 82 11.412 7.241 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.185 7.439 -3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.274 6.189 -2.996 1.00 0.00 H new ATOM 623 N LYS A 83 9.176 3.588 -6.463 1.00 0.00 N ATOM 624 CA LYS A 83 8.654 3.454 -7.819 1.00 0.00 C ATOM 625 C LYS A 83 7.143 3.211 -7.825 1.00 0.00 C ATOM 626 O LYS A 83 6.567 2.887 -8.863 1.00 0.00 O ATOM 627 CB LYS A 83 9.351 2.296 -8.520 1.00 0.00 C ATOM 628 CG LYS A 83 9.547 2.511 -10.012 1.00 0.00 C ATOM 629 CD LYS A 83 8.620 1.627 -10.831 1.00 0.00 C ATOM 630 CE LYS A 83 8.501 2.119 -12.264 1.00 0.00 C ATOM 631 NZ LYS A 83 9.420 1.389 -13.180 1.00 0.00 N ATOM 0 H LYS A 83 8.604 3.142 -5.746 1.00 0.00 H new ATOM 0 HA LYS A 83 8.848 4.389 -8.344 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.323 2.134 -8.055 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.769 1.387 -8.367 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.363 3.557 -10.257 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.582 2.298 -10.278 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.995 0.603 -10.827 1.00 0.00 H new ATOM 0 HD3 LYS A 83 7.633 1.607 -10.369 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.474 1.995 -12.606 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.723 3.186 -12.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.308 1.754 -14.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.403 1.528 -12.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.192 0.374 -13.164 1.00 0.00 H new ATOM 645 N LYS A 84 6.508 3.364 -6.667 1.00 0.00 N ATOM 646 CA LYS A 84 5.067 3.157 -6.544 1.00 0.00 C ATOM 647 C LYS A 84 4.731 1.669 -6.563 1.00 0.00 C ATOM 648 O LYS A 84 4.365 1.092 -5.539 1.00 0.00 O ATOM 649 CB LYS A 84 4.319 3.880 -7.670 1.00 0.00 C ATOM 650 CG LYS A 84 3.132 4.696 -7.184 1.00 0.00 C ATOM 651 CD LYS A 84 2.485 5.469 -8.322 1.00 0.00 C ATOM 652 CE LYS A 84 3.122 6.838 -8.498 1.00 0.00 C ATOM 653 NZ LYS A 84 4.451 6.751 -9.164 1.00 0.00 N ATOM 0 H LYS A 84 6.969 3.631 -5.797 1.00 0.00 H new ATOM 0 HA LYS A 84 4.747 3.573 -5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.013 4.539 -8.192 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.971 3.144 -8.395 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.396 4.034 -6.728 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.459 5.391 -6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.578 4.901 -9.248 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.419 5.585 -8.125 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.461 7.473 -9.088 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.235 7.314 -7.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.638 7.633 -9.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.190 6.608 -8.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.454 5.951 -9.829 1.00 0.00 H new ATOM 667 N GLN A 85 4.859 1.052 -7.735 1.00 0.00 N ATOM 668 CA GLN A 85 4.571 -0.371 -7.893 1.00 0.00 C ATOM 669 C GLN A 85 5.229 -1.199 -6.790 1.00 0.00 C ATOM 670 O GLN A 85 4.678 -2.205 -6.343 1.00 0.00 O ATOM 671 CB GLN A 85 5.049 -0.858 -9.262 1.00 0.00 C ATOM 672 CG GLN A 85 4.247 -2.030 -9.805 1.00 0.00 C ATOM 673 CD GLN A 85 3.760 -1.798 -11.222 1.00 0.00 C ATOM 674 OE1 GLN A 85 4.045 -2.584 -12.125 1.00 0.00 O ATOM 675 NE2 GLN A 85 3.022 -0.712 -11.423 1.00 0.00 N ATOM 0 H GLN A 85 5.161 1.517 -8.591 1.00 0.00 H new ATOM 0 HA GLN A 85 3.491 -0.502 -7.818 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.995 -0.032 -9.971 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.097 -1.148 -9.189 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.862 -2.929 -9.779 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.390 -2.211 -9.156 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.810 -0.088 -10.644 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.667 -0.502 -12.356 1.00 0.00 H new ATOM 684 N GLU A 86 6.413 -0.771 -6.359 1.00 0.00 N ATOM 685 CA GLU A 86 7.146 -1.476 -5.312 1.00 0.00 C ATOM 686 C GLU A 86 6.359 -1.489 -4.006 1.00 0.00 C ATOM 687 O GLU A 86 6.248 -2.524 -3.350 1.00 0.00 O ATOM 688 CB GLU A 86 8.518 -0.833 -5.096 1.00 0.00 C ATOM 689 CG GLU A 86 9.666 -1.829 -5.114 1.00 0.00 C ATOM 690 CD GLU A 86 9.882 -2.445 -6.482 1.00 0.00 C ATOM 691 OE1 GLU A 86 10.637 -1.858 -7.285 1.00 0.00 O ATOM 692 OE2 GLU A 86 9.295 -3.515 -6.751 1.00 0.00 O ATOM 0 H GLU A 86 6.884 0.059 -6.718 1.00 0.00 H new ATOM 0 HA GLU A 86 7.287 -2.507 -5.635 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.685 -0.084 -5.870 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.518 -0.309 -4.140 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.581 -1.329 -4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.467 -2.620 -4.391 1.00 0.00 H new ATOM 699 N LEU A 87 5.806 -0.338 -3.637 1.00 0.00 N ATOM 700 CA LEU A 87 5.022 -0.236 -2.413 1.00 0.00 C ATOM 701 C LEU A 87 3.823 -1.167 -2.495 1.00 0.00 C ATOM 702 O LEU A 87 3.499 -1.870 -1.538 1.00 0.00 O ATOM 703 CB LEU A 87 4.565 1.211 -2.195 1.00 0.00 C ATOM 704 CG LEU A 87 5.693 2.202 -1.885 1.00 0.00 C ATOM 705 CD1 LEU A 87 5.668 3.371 -2.857 1.00 0.00 C ATOM 706 CD2 LEU A 87 5.592 2.700 -0.451 1.00 0.00 C ATOM 0 H LEU A 87 5.886 0.531 -4.165 1.00 0.00 H new ATOM 0 HA LEU A 87 5.641 -0.531 -1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.038 1.549 -3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.847 1.231 -1.375 1.00 0.00 H new ATOM 0 HG LEU A 87 6.643 1.680 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.477 4.061 -2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.796 3.001 -3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.713 3.890 -2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.402 3.402 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.634 3.200 -0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.667 1.855 0.234 1.00 0.00 H new ATOM 718 N LEU A 88 3.183 -1.184 -3.659 1.00 0.00 N ATOM 719 CA LEU A 88 2.036 -2.052 -3.887 1.00 0.00 C ATOM 720 C LEU A 88 2.384 -3.491 -3.530 1.00 0.00 C ATOM 721 O LEU A 88 1.689 -4.133 -2.744 1.00 0.00 O ATOM 722 CB LEU A 88 1.579 -1.974 -5.347 1.00 0.00 C ATOM 723 CG LEU A 88 1.652 -0.585 -5.983 1.00 0.00 C ATOM 724 CD1 LEU A 88 1.050 -0.606 -7.378 1.00 0.00 C ATOM 725 CD2 LEU A 88 0.945 0.438 -5.107 1.00 0.00 C ATOM 0 H LEU A 88 3.440 -0.606 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 88 1.220 -1.713 -3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.188 -2.658 -5.938 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.550 -2.329 -5.408 1.00 0.00 H new ATOM 0 HG LEU A 88 2.700 -0.297 -6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.110 0.391 -7.815 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.601 -1.310 -8.002 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.006 -0.914 -7.319 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.006 1.421 -5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.101 0.156 -4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.423 0.471 -4.128 1.00 0.00 H new ATOM 737 N GLU A 89 3.474 -3.990 -4.113 1.00 0.00 N ATOM 738 CA GLU A 89 3.924 -5.353 -3.854 1.00 0.00 C ATOM 739 C GLU A 89 4.013 -5.618 -2.356 1.00 0.00 C ATOM 740 O GLU A 89 3.445 -6.588 -1.854 1.00 0.00 O ATOM 741 CB GLU A 89 5.283 -5.601 -4.512 1.00 0.00 C ATOM 742 CG GLU A 89 5.182 -6.192 -5.909 1.00 0.00 C ATOM 743 CD GLU A 89 5.658 -7.631 -5.969 1.00 0.00 C ATOM 744 OE1 GLU A 89 6.859 -7.870 -5.723 1.00 0.00 O ATOM 745 OE2 GLU A 89 4.829 -8.519 -6.261 1.00 0.00 O ATOM 0 H GLU A 89 4.059 -3.470 -4.767 1.00 0.00 H new ATOM 0 HA GLU A 89 3.193 -6.038 -4.284 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.830 -4.660 -4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.865 -6.274 -3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.147 -6.141 -6.247 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.773 -5.589 -6.598 1.00 0.00 H new ATOM 752 N ALA A 90 4.722 -4.746 -1.644 1.00 0.00 N ATOM 753 CA ALA A 90 4.871 -4.889 -0.203 1.00 0.00 C ATOM 754 C ALA A 90 3.509 -5.018 0.464 1.00 0.00 C ATOM 755 O ALA A 90 3.301 -5.878 1.320 1.00 0.00 O ATOM 756 CB ALA A 90 5.640 -3.709 0.373 1.00 0.00 C ATOM 0 H ALA A 90 5.200 -3.937 -2.041 1.00 0.00 H new ATOM 0 HA ALA A 90 5.438 -5.798 -0.003 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.742 -3.833 1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.629 -3.662 -0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.100 -2.786 0.163 1.00 0.00 H new ATOM 762 N LEU A 91 2.578 -4.166 0.052 1.00 0.00 N ATOM 763 CA LEU A 91 1.229 -4.194 0.596 1.00 0.00 C ATOM 764 C LEU A 91 0.526 -5.479 0.198 1.00 0.00 C ATOM 765 O LEU A 91 0.017 -6.213 1.045 1.00 0.00 O ATOM 766 CB LEU A 91 0.430 -2.995 0.089 1.00 0.00 C ATOM 767 CG LEU A 91 0.647 -1.695 0.865 1.00 0.00 C ATOM 768 CD1 LEU A 91 0.596 -0.498 -0.072 1.00 0.00 C ATOM 769 CD2 LEU A 91 -0.391 -1.555 1.968 1.00 0.00 C ATOM 0 H LEU A 91 2.734 -3.449 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 91 1.295 -4.146 1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.687 -2.823 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.630 -3.246 0.120 1.00 0.00 H new ATOM 0 HG LEU A 91 1.635 -1.728 1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.752 0.418 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.377 -0.593 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.378 -0.459 -0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.222 -0.625 2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.389 -1.543 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.307 -2.396 2.656 1.00 0.00 H new ATOM 781 N THR A 92 0.505 -5.746 -1.102 1.00 0.00 N ATOM 782 CA THR A 92 -0.130 -6.942 -1.626 1.00 0.00 C ATOM 783 C THR A 92 0.379 -8.181 -0.893 1.00 0.00 C ATOM 784 O THR A 92 -0.396 -8.897 -0.262 1.00 0.00 O ATOM 785 CB THR A 92 0.122 -7.041 -3.137 1.00 0.00 C ATOM 786 OG1 THR A 92 -0.976 -6.514 -3.859 1.00 0.00 O ATOM 787 CG2 THR A 92 0.358 -8.451 -3.639 1.00 0.00 C ATOM 0 H THR A 92 0.923 -5.146 -1.813 1.00 0.00 H new ATOM 0 HA THR A 92 -1.206 -6.882 -1.461 1.00 0.00 H new ATOM 0 HB THR A 92 1.033 -6.467 -3.303 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.799 -6.583 -4.820 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.527 -8.430 -4.716 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.232 -8.873 -3.142 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.515 -9.066 -3.421 1.00 0.00 H new ATOM 795 N LYS A 93 1.686 -8.426 -0.972 1.00 0.00 N ATOM 796 CA LYS A 93 2.283 -9.576 -0.301 1.00 0.00 C ATOM 797 C LYS A 93 1.814 -9.667 1.148 1.00 0.00 C ATOM 798 O LYS A 93 1.736 -10.755 1.718 1.00 0.00 O ATOM 799 CB LYS A 93 3.812 -9.509 -0.367 1.00 0.00 C ATOM 800 CG LYS A 93 4.423 -8.413 0.493 1.00 0.00 C ATOM 801 CD LYS A 93 5.612 -8.926 1.290 1.00 0.00 C ATOM 802 CE LYS A 93 6.314 -7.801 2.031 1.00 0.00 C ATOM 803 NZ LYS A 93 7.698 -8.179 2.432 1.00 0.00 N ATOM 0 H LYS A 93 2.347 -7.847 -1.491 1.00 0.00 H new ATOM 0 HA LYS A 93 1.955 -10.476 -0.822 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.221 -10.470 -0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.114 -9.354 -1.403 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.739 -7.585 -0.142 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.668 -8.021 1.175 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.276 -9.678 2.003 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.317 -9.416 0.619 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.349 -6.915 1.397 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.739 -7.536 2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.143 -7.385 2.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.664 -9.009 3.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.255 -8.407 1.584 1.00 0.00 H new ATOM 817 N HIS A 94 1.498 -8.516 1.740 1.00 0.00 N ATOM 818 CA HIS A 94 1.034 -8.478 3.119 1.00 0.00 C ATOM 819 C HIS A 94 -0.336 -9.134 3.244 1.00 0.00 C ATOM 820 O HIS A 94 -0.507 -10.098 3.991 1.00 0.00 O ATOM 821 CB HIS A 94 0.969 -7.035 3.621 1.00 0.00 C ATOM 822 CG HIS A 94 1.045 -6.918 5.111 1.00 0.00 C ATOM 823 ND1 HIS A 94 1.969 -6.332 5.909 1.00 0.00 N flip ATOM 824 CD2 HIS A 94 0.092 -7.446 5.957 1.00 0.00 C flip ATOM 825 CE1 HIS A 94 1.561 -6.514 7.207 1.00 0.00 C flip ATOM 826 NE2 HIS A 94 0.426 -7.189 7.209 1.00 0.00 N flip ATOM 0 H HIS A 94 1.556 -7.604 1.286 1.00 0.00 H new ATOM 0 HA HIS A 94 1.744 -9.034 3.732 1.00 0.00 H new ATOM 0 HB2 HIS A 94 1.787 -6.467 3.178 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.041 -6.580 3.275 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -0.790 -7.985 5.644 1.00 0.00 H new ATOM 0 HE1 HIS A 94 2.084 -6.162 8.084 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -0.103 -7.465 8.036 1.00 0.00 H new ATOM 835 N PHE A 95 -1.309 -8.609 2.506 1.00 0.00 N ATOM 836 CA PHE A 95 -2.662 -9.150 2.537 1.00 0.00 C ATOM 837 C PHE A 95 -2.890 -10.137 1.394 1.00 0.00 C ATOM 838 O PHE A 95 -4.028 -10.385 0.997 1.00 0.00 O ATOM 839 CB PHE A 95 -3.689 -8.017 2.474 1.00 0.00 C ATOM 840 CG PHE A 95 -4.594 -7.975 3.673 1.00 0.00 C ATOM 841 CD1 PHE A 95 -5.464 -9.021 3.936 1.00 0.00 C ATOM 842 CD2 PHE A 95 -4.568 -6.895 4.540 1.00 0.00 C ATOM 843 CE1 PHE A 95 -6.293 -8.989 5.042 1.00 0.00 C ATOM 844 CE2 PHE A 95 -5.395 -6.857 5.646 1.00 0.00 C ATOM 845 CZ PHE A 95 -6.259 -7.905 5.898 1.00 0.00 C ATOM 0 H PHE A 95 -1.186 -7.812 1.881 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.787 -9.689 3.476 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.166 -7.065 2.388 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -4.293 -8.132 1.574 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.495 -9.870 3.270 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -3.894 -6.073 4.349 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -6.966 -9.811 5.237 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.366 -6.008 6.313 1.00 0.00 H new ATOM 0 HZ PHE A 95 -6.906 -7.877 6.762 1.00 0.00 H new ATOM 855 N GLN A 96 -1.804 -10.699 0.869 1.00 0.00 N ATOM 856 CA GLN A 96 -1.897 -11.657 -0.225 1.00 0.00 C ATOM 857 C GLN A 96 -2.459 -12.986 0.268 1.00 0.00 C ATOM 858 O GLN A 96 -2.134 -13.440 1.366 1.00 0.00 O ATOM 859 CB GLN A 96 -0.523 -11.874 -0.861 1.00 0.00 C ATOM 860 CG GLN A 96 -0.539 -12.846 -2.029 1.00 0.00 C ATOM 861 CD GLN A 96 0.496 -13.946 -1.889 1.00 0.00 C ATOM 862 OE1 GLN A 96 1.445 -13.825 -1.114 1.00 0.00 O ATOM 863 NE2 GLN A 96 0.318 -15.026 -2.640 1.00 0.00 N ATOM 0 H GLN A 96 -0.853 -10.507 1.184 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.574 -11.251 -0.976 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -0.135 -10.915 -1.203 1.00 0.00 H new ATOM 0 HB3 GLN A 96 0.165 -12.244 -0.101 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -1.530 -13.293 -2.111 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -0.359 -12.299 -2.954 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.483 -15.084 -3.269 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.982 -15.798 -2.588 1.00 0.00 H new