USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 493 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 Single : A 62 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 65 GLN : amide:sc= -1.19! K(o=-1.2!,f=0) USER MOD Single : A 66 MET CE :methyl -105:sc= -0.676 (180deg=-1.99!) USER MOD Single : A 68 LYS NZ :NH3+ -160:sc= -0.0201 (180deg=-0.247) USER MOD Single : A 70 MET CE :methyl 153:sc= -1.12 (180deg=-2.14) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -0:sc= 0.799! USER MOD Single : A 96 LYS NZ :NH3+ 158:sc= -0.0268 (180deg=-0.297) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 81:sc= 0.411 USER MOD Single : A 107 ASN : amide:sc= -1.89! C(o=-1.9!,f=-2.6!) USER MOD Single : A 108 THR OG1 : rot -63:sc= 1.21 USER MOD Single : A 109 SER OG : rot 180:sc= -0.392 USER MOD Single : A 110 CYS SG : rot -49:sc= -0.182 USER MOD Single : A 118 CYS SG : rot 180:sc= 0 USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 127 LYS NZ :NH3+ 162:sc=-0.00824 (180deg=-0.157) USER MOD Single : A 129 TYR OH : rot 180:sc= -0.466 USER MOD Single : A 130 HIS : no HE2:sc= -0.372 K(o=-0.37,f=-1.5) USER MOD Single : A 133 LYS NZ :NH3+ 147:sc= -0.216 (180deg=-1.15) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N THR A 62 -12.039 -1.759 -5.190 1.00 0.00 N ATOM 79 CA THR A 62 -12.377 -2.770 -4.188 1.00 0.00 C ATOM 80 C THR A 62 -11.167 -3.059 -3.300 1.00 0.00 C ATOM 81 O THR A 62 -10.028 -2.979 -3.757 1.00 0.00 O ATOM 82 CB THR A 62 -12.820 -4.059 -4.886 1.00 0.00 C ATOM 83 OG1 THR A 62 -11.680 -4.857 -5.169 1.00 0.00 O ATOM 84 CG2 THR A 62 -13.541 -3.717 -6.191 1.00 0.00 C ATOM 0 HA THR A 62 -13.190 -2.393 -3.567 1.00 0.00 H new ATOM 0 HB THR A 62 -13.498 -4.609 -4.234 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.961 -5.683 -5.615 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.855 -4.637 -6.685 1.00 0.00 H new ATOM 0 HG22 THR A 62 -14.416 -3.105 -5.973 1.00 0.00 H new ATOM 0 HG23 THR A 62 -12.866 -3.165 -6.846 1.00 0.00 H new ATOM 92 N PRO A 63 -11.386 -3.388 -2.050 1.00 0.00 N ATOM 93 CA PRO A 63 -10.277 -3.689 -1.095 1.00 0.00 C ATOM 94 C PRO A 63 -9.461 -4.904 -1.535 1.00 0.00 C ATOM 95 O PRO A 63 -8.244 -4.943 -1.357 1.00 0.00 O ATOM 96 CB PRO A 63 -10.991 -3.952 0.239 1.00 0.00 C ATOM 97 CG PRO A 63 -12.409 -4.265 -0.115 1.00 0.00 C ATOM 98 CD PRO A 63 -12.705 -3.515 -1.413 1.00 0.00 C ATOM 0 HA PRO A 63 -9.558 -2.872 -1.033 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -10.529 -4.782 0.773 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.934 -3.081 0.892 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -12.549 -5.338 -0.246 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -13.086 -3.950 0.679 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.403 -4.066 -2.044 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -13.152 -2.540 -1.219 1.00 0.00 H new ATOM 106 N GLU A 64 -10.141 -5.888 -2.114 1.00 0.00 N ATOM 107 CA GLU A 64 -9.469 -7.095 -2.579 1.00 0.00 C ATOM 108 C GLU A 64 -8.630 -6.791 -3.816 1.00 0.00 C ATOM 109 O GLU A 64 -7.560 -7.367 -4.010 1.00 0.00 O ATOM 110 CB GLU A 64 -10.501 -8.174 -2.911 1.00 0.00 C ATOM 111 CG GLU A 64 -9.783 -9.442 -3.375 1.00 0.00 C ATOM 112 CD GLU A 64 -10.758 -10.614 -3.398 1.00 0.00 C ATOM 113 OE1 GLU A 64 -11.557 -10.712 -2.483 1.00 0.00 O ATOM 114 OE2 GLU A 64 -10.692 -11.396 -4.332 1.00 0.00 O ATOM 0 H GLU A 64 -11.149 -5.874 -2.271 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.814 -7.455 -1.786 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.112 -8.390 -2.035 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.175 -7.819 -3.690 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.362 -9.289 -4.369 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.951 -9.664 -2.707 1.00 0.00 H new ATOM 121 N GLN A 65 -9.125 -5.880 -4.649 1.00 0.00 N ATOM 122 CA GLN A 65 -8.414 -5.504 -5.865 1.00 0.00 C ATOM 123 C GLN A 65 -7.116 -4.781 -5.525 1.00 0.00 C ATOM 124 O GLN A 65 -6.049 -5.137 -6.024 1.00 0.00 O ATOM 125 CB GLN A 65 -9.296 -4.597 -6.724 1.00 0.00 C ATOM 126 CG GLN A 65 -8.535 -4.192 -7.989 1.00 0.00 C ATOM 127 CD GLN A 65 -9.494 -3.572 -8.999 1.00 0.00 C ATOM 128 OE1 GLN A 65 -9.125 -3.356 -10.154 1.00 0.00 O ATOM 129 NE2 GLN A 65 -10.708 -3.271 -8.633 1.00 0.00 N ATOM 0 H GLN A 65 -10.009 -5.392 -4.505 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.175 -6.411 -6.420 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.217 -5.115 -6.991 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.582 -3.710 -6.159 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.748 -3.480 -7.738 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.048 -5.064 -8.425 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.012 -3.451 -7.676 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.355 -2.856 -9.304 1.00 0.00 H new ATOM 138 N MET A 66 -7.212 -3.766 -4.672 1.00 0.00 N ATOM 139 CA MET A 66 -6.034 -3.004 -4.275 1.00 0.00 C ATOM 140 C MET A 66 -5.044 -3.898 -3.536 1.00 0.00 C ATOM 141 O MET A 66 -3.832 -3.790 -3.728 1.00 0.00 O ATOM 142 CB MET A 66 -6.442 -1.833 -3.376 1.00 0.00 C ATOM 143 CG MET A 66 -7.213 -2.354 -2.166 1.00 0.00 C ATOM 144 SD MET A 66 -7.747 -0.960 -1.140 1.00 0.00 S ATOM 145 CE MET A 66 -8.868 -0.194 -2.338 1.00 0.00 C ATOM 0 H MET A 66 -8.085 -3.454 -4.246 1.00 0.00 H new ATOM 0 HA MET A 66 -5.556 -2.617 -5.174 1.00 0.00 H new ATOM 0 HB2 MET A 66 -5.556 -1.289 -3.048 1.00 0.00 H new ATOM 0 HB3 MET A 66 -7.058 -1.130 -3.936 1.00 0.00 H new ATOM 0 HG2 MET A 66 -8.078 -2.930 -2.494 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.584 -3.027 -1.584 1.00 0.00 H new ATOM 0 HE1 MET A 66 -8.400 0.698 -2.755 1.00 0.00 H new ATOM 0 HE2 MET A 66 -9.082 -0.901 -3.140 1.00 0.00 H new ATOM 0 HE3 MET A 66 -9.798 0.083 -1.841 1.00 0.00 H new ATOM 155 N ALA A 67 -5.565 -4.781 -2.691 1.00 0.00 N ATOM 156 CA ALA A 67 -4.715 -5.688 -1.928 1.00 0.00 C ATOM 157 C ALA A 67 -3.942 -6.611 -2.864 1.00 0.00 C ATOM 158 O ALA A 67 -2.770 -6.905 -2.634 1.00 0.00 O ATOM 159 CB ALA A 67 -5.567 -6.522 -0.973 1.00 0.00 C ATOM 0 H ALA A 67 -6.564 -4.888 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.004 -5.094 -1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.925 -7.197 -0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.095 -5.861 -0.285 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.290 -7.104 -1.544 1.00 0.00 H new ATOM 165 N LYS A 68 -4.610 -7.063 -3.920 1.00 0.00 N ATOM 166 CA LYS A 68 -3.980 -7.955 -4.886 1.00 0.00 C ATOM 167 C LYS A 68 -2.876 -7.228 -5.652 1.00 0.00 C ATOM 168 O LYS A 68 -1.744 -7.706 -5.726 1.00 0.00 O ATOM 169 CB LYS A 68 -5.029 -8.478 -5.871 1.00 0.00 C ATOM 170 CG LYS A 68 -5.826 -9.611 -5.220 1.00 0.00 C ATOM 171 CD LYS A 68 -6.988 -10.008 -6.133 1.00 0.00 C ATOM 172 CE LYS A 68 -7.544 -11.364 -5.693 1.00 0.00 C ATOM 173 NZ LYS A 68 -6.611 -12.444 -6.119 1.00 0.00 N ATOM 0 H LYS A 68 -5.581 -6.828 -4.128 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.537 -8.792 -4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.700 -7.671 -6.166 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.543 -8.836 -6.779 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.179 -10.470 -5.043 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.205 -9.292 -4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.771 -9.251 -6.092 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.650 -10.060 -7.168 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.670 -11.384 -4.611 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.529 -11.525 -6.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.116 -13.353 -6.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.247 -12.233 -7.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.817 -12.501 -5.449 1.00 0.00 H new ATOM 187 N GLU A 69 -3.215 -6.076 -6.222 1.00 0.00 N ATOM 188 CA GLU A 69 -2.246 -5.295 -6.987 1.00 0.00 C ATOM 189 C GLU A 69 -1.067 -4.878 -6.112 1.00 0.00 C ATOM 190 O GLU A 69 0.080 -4.881 -6.558 1.00 0.00 O ATOM 191 CB GLU A 69 -2.920 -4.049 -7.563 1.00 0.00 C ATOM 192 CG GLU A 69 -3.864 -4.454 -8.697 1.00 0.00 C ATOM 193 CD GLU A 69 -3.058 -4.836 -9.934 1.00 0.00 C ATOM 194 OE1 GLU A 69 -2.378 -3.971 -10.463 1.00 0.00 O ATOM 195 OE2 GLU A 69 -3.132 -5.986 -10.334 1.00 0.00 O ATOM 0 H GLU A 69 -4.147 -5.664 -6.170 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.872 -5.919 -7.799 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.475 -3.530 -6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.167 -3.354 -7.934 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.484 -5.294 -8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.538 -3.630 -8.932 1.00 0.00 H new ATOM 202 N MET A 70 -1.354 -4.518 -4.867 1.00 0.00 N ATOM 203 CA MET A 70 -0.301 -4.102 -3.947 1.00 0.00 C ATOM 204 C MET A 70 0.611 -5.281 -3.617 1.00 0.00 C ATOM 205 O MET A 70 1.829 -5.201 -3.777 1.00 0.00 O ATOM 206 CB MET A 70 -0.917 -3.555 -2.654 1.00 0.00 C ATOM 207 CG MET A 70 -1.376 -2.107 -2.862 1.00 0.00 C ATOM 208 SD MET A 70 -1.680 -1.334 -1.253 1.00 0.00 S ATOM 209 CE MET A 70 -3.356 -1.971 -0.991 1.00 0.00 C ATOM 0 H MET A 70 -2.295 -4.505 -4.474 1.00 0.00 H new ATOM 0 HA MET A 70 0.287 -3.319 -4.426 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.763 -4.174 -2.355 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.187 -3.601 -1.846 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.616 -1.548 -3.408 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.283 -2.085 -3.465 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.557 -2.037 0.078 1.00 0.00 H new ATOM 0 HE2 MET A 70 -4.077 -1.299 -1.456 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.443 -2.961 -1.438 1.00 0.00 H new ATOM 219 N SER A 71 0.014 -6.373 -3.154 1.00 0.00 N ATOM 220 CA SER A 71 0.779 -7.561 -2.799 1.00 0.00 C ATOM 221 C SER A 71 1.745 -7.944 -3.918 1.00 0.00 C ATOM 222 O SER A 71 2.956 -8.007 -3.706 1.00 0.00 O ATOM 223 CB SER A 71 -0.170 -8.727 -2.522 1.00 0.00 C ATOM 224 OG SER A 71 0.554 -9.949 -2.597 1.00 0.00 O ATOM 0 H SER A 71 -0.993 -6.460 -3.016 1.00 0.00 H new ATOM 0 HA SER A 71 1.358 -7.338 -1.903 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.621 -8.618 -1.536 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.984 -8.728 -3.246 1.00 0.00 H new ATOM 0 HG SER A 71 -0.051 -10.699 -2.418 1.00 0.00 H new ATOM 230 N GLU A 72 1.205 -8.206 -5.104 1.00 0.00 N ATOM 231 CA GLU A 72 2.040 -8.589 -6.237 1.00 0.00 C ATOM 232 C GLU A 72 3.098 -7.524 -6.513 1.00 0.00 C ATOM 233 O GLU A 72 4.240 -7.846 -6.844 1.00 0.00 O ATOM 234 CB GLU A 72 1.179 -8.802 -7.487 1.00 0.00 C ATOM 235 CG GLU A 72 0.543 -7.478 -7.912 1.00 0.00 C ATOM 236 CD GLU A 72 -0.438 -7.713 -9.053 1.00 0.00 C ATOM 237 OE1 GLU A 72 -0.930 -8.823 -9.167 1.00 0.00 O ATOM 238 OE2 GLU A 72 -0.685 -6.779 -9.798 1.00 0.00 O ATOM 0 H GLU A 72 0.206 -8.161 -5.305 1.00 0.00 H new ATOM 0 HA GLU A 72 2.542 -9.524 -5.987 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.791 -9.198 -8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.403 -9.540 -7.283 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.027 -7.025 -7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.317 -6.778 -8.226 1.00 0.00 H new ATOM 245 N PHE A 73 2.718 -6.257 -6.375 1.00 0.00 N ATOM 246 CA PHE A 73 3.657 -5.165 -6.612 1.00 0.00 C ATOM 247 C PHE A 73 4.932 -5.377 -5.798 1.00 0.00 C ATOM 248 O PHE A 73 6.035 -5.361 -6.343 1.00 0.00 O ATOM 249 CB PHE A 73 3.010 -3.822 -6.236 1.00 0.00 C ATOM 250 CG PHE A 73 2.767 -3.002 -7.485 1.00 0.00 C ATOM 251 CD1 PHE A 73 1.946 -3.502 -8.502 1.00 0.00 C ATOM 252 CD2 PHE A 73 3.362 -1.741 -7.624 1.00 0.00 C ATOM 253 CE1 PHE A 73 1.720 -2.746 -9.658 1.00 0.00 C ATOM 254 CE2 PHE A 73 3.136 -0.985 -8.781 1.00 0.00 C ATOM 255 CZ PHE A 73 2.317 -1.486 -9.797 1.00 0.00 C ATOM 0 H PHE A 73 1.780 -5.963 -6.104 1.00 0.00 H new ATOM 0 HA PHE A 73 3.916 -5.150 -7.671 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.069 -3.995 -5.715 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.658 -3.275 -5.551 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.486 -4.473 -8.395 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.994 -1.352 -6.839 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.086 -3.133 -10.442 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.595 -0.013 -8.888 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.144 -0.902 -10.689 1.00 0.00 H new ATOM 265 N LEU A 74 4.776 -5.579 -4.491 1.00 0.00 N ATOM 266 CA LEU A 74 5.928 -5.797 -3.624 1.00 0.00 C ATOM 267 C LEU A 74 6.693 -7.042 -4.062 1.00 0.00 C ATOM 268 O LEU A 74 7.920 -7.027 -4.159 1.00 0.00 O ATOM 269 CB LEU A 74 5.477 -5.965 -2.169 1.00 0.00 C ATOM 270 CG LEU A 74 4.513 -4.840 -1.784 1.00 0.00 C ATOM 271 CD1 LEU A 74 4.258 -4.885 -0.276 1.00 0.00 C ATOM 272 CD2 LEU A 74 5.123 -3.485 -2.156 1.00 0.00 C ATOM 0 H LEU A 74 3.874 -5.596 -4.015 1.00 0.00 H new ATOM 0 HA LEU A 74 6.581 -4.927 -3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.990 -6.932 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.344 -5.954 -1.508 1.00 0.00 H new ATOM 0 HG LEU A 74 3.573 -4.971 -2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.572 -4.085 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.820 -5.847 -0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.200 -4.755 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.433 -2.687 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.064 -3.351 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.306 -3.451 -3.230 1.00 0.00 H new ATOM 284 N SER A 75 5.958 -8.116 -4.328 1.00 0.00 N ATOM 285 CA SER A 75 6.577 -9.366 -4.758 1.00 0.00 C ATOM 286 C SER A 75 7.439 -9.140 -5.995 1.00 0.00 C ATOM 287 O SER A 75 8.414 -9.856 -6.223 1.00 0.00 O ATOM 288 CB SER A 75 5.497 -10.402 -5.068 1.00 0.00 C ATOM 289 OG SER A 75 6.111 -11.662 -5.311 1.00 0.00 O ATOM 0 H SER A 75 4.941 -8.148 -4.255 1.00 0.00 H new ATOM 0 HA SER A 75 7.211 -9.733 -3.951 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.800 -10.479 -4.233 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.919 -10.092 -5.938 1.00 0.00 H new ATOM 0 HG SER A 75 5.421 -12.329 -5.509 1.00 0.00 H new ATOM 295 N ARG A 76 7.072 -8.141 -6.791 1.00 0.00 N ATOM 296 CA ARG A 76 7.820 -7.828 -8.006 1.00 0.00 C ATOM 297 C ARG A 76 9.064 -7.010 -7.673 1.00 0.00 C ATOM 298 O ARG A 76 10.141 -7.250 -8.220 1.00 0.00 O ATOM 299 CB ARG A 76 6.933 -7.042 -8.976 1.00 0.00 C ATOM 300 CG ARG A 76 5.728 -7.900 -9.394 1.00 0.00 C ATOM 301 CD ARG A 76 5.982 -8.521 -10.772 1.00 0.00 C ATOM 302 NE ARG A 76 7.378 -8.923 -10.899 1.00 0.00 N ATOM 303 CZ ARG A 76 7.772 -9.738 -11.872 1.00 0.00 C ATOM 304 NH1 ARG A 76 6.903 -10.195 -12.732 1.00 0.00 N ATOM 305 NH2 ARG A 76 9.027 -10.081 -11.969 1.00 0.00 N ATOM 0 H ARG A 76 6.268 -7.538 -6.620 1.00 0.00 H new ATOM 0 HA ARG A 76 8.129 -8.763 -8.473 1.00 0.00 H new ATOM 0 HB2 ARG A 76 6.589 -6.122 -8.504 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.508 -6.753 -9.856 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.557 -8.685 -8.658 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.827 -7.288 -9.422 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.334 -9.386 -10.913 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.731 -7.803 -11.553 1.00 0.00 H new ATOM 0 HE ARG A 76 8.064 -8.573 -10.230 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.922 -9.927 -12.657 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.205 -10.821 -13.479 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.707 -9.724 -11.298 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.328 -10.707 -12.716 1.00 0.00 H new ATOM 526 N TYR A 92 10.030 9.462 5.087 1.00 0.00 N ATOM 527 CA TYR A 92 8.981 9.872 4.155 1.00 0.00 C ATOM 528 C TYR A 92 7.603 9.562 4.731 1.00 0.00 C ATOM 529 O TYR A 92 7.222 8.399 4.858 1.00 0.00 O ATOM 530 CB TYR A 92 9.156 9.138 2.819 1.00 0.00 C ATOM 531 CG TYR A 92 10.062 9.936 1.911 1.00 0.00 C ATOM 532 CD1 TYR A 92 9.570 11.067 1.251 1.00 0.00 C ATOM 533 CD2 TYR A 92 11.393 9.542 1.728 1.00 0.00 C ATOM 534 CE1 TYR A 92 10.408 11.806 0.407 1.00 0.00 C ATOM 535 CE2 TYR A 92 12.231 10.280 0.884 1.00 0.00 C ATOM 536 CZ TYR A 92 11.738 11.412 0.224 1.00 0.00 C ATOM 537 OH TYR A 92 12.566 12.140 -0.608 1.00 0.00 O ATOM 0 HA TYR A 92 9.061 10.947 3.994 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.578 8.148 2.990 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.186 8.993 2.344 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.543 11.370 1.392 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.773 8.669 2.238 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.028 12.679 -0.102 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.258 9.976 0.742 1.00 0.00 H new ATOM 0 HH TYR A 92 13.457 11.731 -0.622 1.00 0.00 H new ATOM 547 N ASP A 93 6.859 10.610 5.073 1.00 0.00 N ATOM 548 CA ASP A 93 5.521 10.437 5.628 1.00 0.00 C ATOM 549 C ASP A 93 4.470 10.605 4.536 1.00 0.00 C ATOM 550 O ASP A 93 4.059 11.722 4.222 1.00 0.00 O ATOM 551 CB ASP A 93 5.277 11.464 6.736 1.00 0.00 C ATOM 552 CG ASP A 93 5.660 12.857 6.248 1.00 0.00 C ATOM 553 OD1 ASP A 93 5.902 13.003 5.062 1.00 0.00 O ATOM 554 OD2 ASP A 93 5.703 13.759 7.069 1.00 0.00 O ATOM 0 H ASP A 93 7.157 11.581 4.977 1.00 0.00 H new ATOM 0 HA ASP A 93 5.445 9.432 6.044 1.00 0.00 H new ATOM 0 HB2 ASP A 93 4.228 11.449 7.033 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.862 11.205 7.619 1.00 0.00 H new ATOM 559 N LEU A 94 4.041 9.487 3.957 1.00 0.00 N ATOM 560 CA LEU A 94 3.038 9.519 2.897 1.00 0.00 C ATOM 561 C LEU A 94 1.658 9.190 3.457 1.00 0.00 C ATOM 562 O LEU A 94 0.754 8.796 2.720 1.00 0.00 O ATOM 563 CB LEU A 94 3.397 8.510 1.802 1.00 0.00 C ATOM 564 CG LEU A 94 4.904 8.547 1.537 1.00 0.00 C ATOM 565 CD1 LEU A 94 5.251 7.546 0.432 1.00 0.00 C ATOM 566 CD2 LEU A 94 5.309 9.953 1.091 1.00 0.00 C ATOM 0 H LEU A 94 4.370 8.553 4.202 1.00 0.00 H new ATOM 0 HA LEU A 94 3.019 10.523 2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.096 7.507 2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.852 8.743 0.887 1.00 0.00 H new ATOM 0 HG LEU A 94 5.440 8.285 2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.324 7.571 0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.961 6.543 0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.715 7.810 -0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.382 9.980 0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.773 10.214 0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.060 10.669 1.874 1.00 0.00 H new ATOM 578 N SER A 95 1.504 9.349 4.768 1.00 0.00 N ATOM 579 CA SER A 95 0.231 9.060 5.421 1.00 0.00 C ATOM 580 C SER A 95 -0.865 9.996 4.919 1.00 0.00 C ATOM 581 O SER A 95 -2.007 9.926 5.375 1.00 0.00 O ATOM 582 CB SER A 95 0.378 9.211 6.935 1.00 0.00 C ATOM 583 OG SER A 95 -0.909 9.194 7.536 1.00 0.00 O ATOM 0 H SER A 95 2.239 9.674 5.396 1.00 0.00 H new ATOM 0 HA SER A 95 -0.051 8.035 5.180 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.989 8.402 7.335 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.890 10.144 7.171 1.00 0.00 H new ATOM 0 HG SER A 95 -1.593 9.092 6.842 1.00 0.00 H new ATOM 589 N LYS A 96 -0.514 10.868 3.979 1.00 0.00 N ATOM 590 CA LYS A 96 -1.478 11.814 3.420 1.00 0.00 C ATOM 591 C LYS A 96 -1.721 11.525 1.943 1.00 0.00 C ATOM 592 O LYS A 96 -2.445 12.256 1.268 1.00 0.00 O ATOM 593 CB LYS A 96 -0.960 13.244 3.583 1.00 0.00 C ATOM 594 CG LYS A 96 -0.365 13.417 4.982 1.00 0.00 C ATOM 595 CD LYS A 96 -0.041 14.893 5.220 1.00 0.00 C ATOM 596 CE LYS A 96 0.864 15.025 6.448 1.00 0.00 C ATOM 597 NZ LYS A 96 2.240 14.570 6.101 1.00 0.00 N ATOM 0 H LYS A 96 0.426 10.941 3.589 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.419 11.704 3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.205 13.457 2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.772 13.955 3.431 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.069 13.062 5.735 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.538 12.815 5.082 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.453 15.314 4.344 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.961 15.459 5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.886 16.061 6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.469 14.429 7.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.922 14.987 6.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.288 13.533 6.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.472 14.872 5.133 1.00 0.00 H new ATOM 611 N TRP A 97 -1.108 10.455 1.447 1.00 0.00 N ATOM 612 CA TRP A 97 -1.260 10.075 0.046 1.00 0.00 C ATOM 613 C TRP A 97 -2.379 9.053 -0.114 1.00 0.00 C ATOM 614 O TRP A 97 -2.853 8.478 0.865 1.00 0.00 O ATOM 615 CB TRP A 97 0.050 9.480 -0.477 1.00 0.00 C ATOM 616 CG TRP A 97 1.106 10.539 -0.518 1.00 0.00 C ATOM 617 CD1 TRP A 97 1.475 11.311 0.531 1.00 0.00 C ATOM 618 CD2 TRP A 97 1.934 10.953 -1.642 1.00 0.00 C ATOM 619 NE1 TRP A 97 2.479 12.171 0.121 1.00 0.00 N ATOM 620 CE2 TRP A 97 2.796 11.989 -1.209 1.00 0.00 C ATOM 621 CE3 TRP A 97 2.021 10.536 -2.982 1.00 0.00 C ATOM 622 CZ2 TRP A 97 3.711 12.588 -2.075 1.00 0.00 C ATOM 623 CZ3 TRP A 97 2.942 11.138 -3.856 1.00 0.00 C ATOM 624 CH2 TRP A 97 3.784 12.161 -3.404 1.00 0.00 C ATOM 0 H TRP A 97 -0.504 9.838 1.991 1.00 0.00 H new ATOM 0 HA TRP A 97 -1.512 10.967 -0.527 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.370 8.659 0.165 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.101 9.065 -1.473 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.055 11.264 1.525 1.00 0.00 H new ATOM 0 HE1 TRP A 97 2.929 12.856 0.728 1.00 0.00 H new ATOM 0 HE3 TRP A 97 1.376 9.748 -3.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 4.359 13.376 -1.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 3.001 10.809 -4.883 1.00 0.00 H new ATOM 0 HH2 TRP A 97 4.489 12.620 -4.081 1.00 0.00 H new ATOM 635 N LYS A 98 -2.798 8.830 -1.359 1.00 0.00 N ATOM 636 CA LYS A 98 -3.864 7.872 -1.643 1.00 0.00 C ATOM 637 C LYS A 98 -3.318 6.689 -2.439 1.00 0.00 C ATOM 638 O LYS A 98 -2.339 6.821 -3.173 1.00 0.00 O ATOM 639 CB LYS A 98 -4.979 8.552 -2.439 1.00 0.00 C ATOM 640 CG LYS A 98 -5.318 9.901 -1.801 1.00 0.00 C ATOM 641 CD LYS A 98 -5.780 9.685 -0.358 1.00 0.00 C ATOM 642 CE LYS A 98 -6.538 10.923 0.130 1.00 0.00 C ATOM 643 NZ LYS A 98 -6.883 10.757 1.570 1.00 0.00 N ATOM 0 H LYS A 98 -2.418 9.297 -2.182 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.264 7.508 -0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.665 8.696 -3.473 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.864 7.916 -2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.445 10.553 -1.820 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.101 10.399 -2.373 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.422 8.806 -0.299 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.921 9.496 0.285 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.927 11.815 -0.008 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.445 11.063 -0.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.398 11.597 1.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.481 9.915 1.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.011 10.643 2.125 1.00 0.00 H new ATOM 657 N TYR A 99 -3.958 5.535 -2.285 1.00 0.00 N ATOM 658 CA TYR A 99 -3.530 4.332 -2.991 1.00 0.00 C ATOM 659 C TYR A 99 -3.201 4.649 -4.449 1.00 0.00 C ATOM 660 O TYR A 99 -2.221 4.142 -4.996 1.00 0.00 O ATOM 661 CB TYR A 99 -4.637 3.274 -2.925 1.00 0.00 C ATOM 662 CG TYR A 99 -4.349 2.161 -3.910 1.00 0.00 C ATOM 663 CD1 TYR A 99 -3.146 1.450 -3.832 1.00 0.00 C ATOM 664 CD2 TYR A 99 -5.288 1.841 -4.900 1.00 0.00 C ATOM 665 CE1 TYR A 99 -2.881 0.418 -4.742 1.00 0.00 C ATOM 666 CE2 TYR A 99 -5.022 0.809 -5.809 1.00 0.00 C ATOM 667 CZ TYR A 99 -3.820 0.100 -5.731 1.00 0.00 C ATOM 668 OH TYR A 99 -3.558 -0.916 -6.627 1.00 0.00 O ATOM 0 H TYR A 99 -4.770 5.407 -1.681 1.00 0.00 H new ATOM 0 HA TYR A 99 -2.630 3.948 -2.511 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.704 2.869 -1.915 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -5.601 3.730 -3.150 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.422 1.697 -3.070 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.216 2.390 -4.962 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.953 -0.132 -4.681 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -5.746 0.561 -6.571 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.312 -1.008 -7.246 1.00 0.00 H new ATOM 678 N ALA A 100 -4.026 5.485 -5.070 1.00 0.00 N ATOM 679 CA ALA A 100 -3.816 5.859 -6.465 1.00 0.00 C ATOM 680 C ALA A 100 -2.568 6.724 -6.613 1.00 0.00 C ATOM 681 O ALA A 100 -1.805 6.576 -7.568 1.00 0.00 O ATOM 682 CB ALA A 100 -5.032 6.626 -6.988 1.00 0.00 C ATOM 0 H ALA A 100 -4.842 5.915 -4.633 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.680 4.947 -7.046 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.868 6.902 -8.030 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.919 5.996 -6.915 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.177 7.527 -6.393 1.00 0.00 H new ATOM 688 N GLU A 101 -2.366 7.628 -5.661 1.00 0.00 N ATOM 689 CA GLU A 101 -1.209 8.515 -5.697 1.00 0.00 C ATOM 690 C GLU A 101 0.079 7.724 -5.502 1.00 0.00 C ATOM 691 O GLU A 101 1.055 7.920 -6.226 1.00 0.00 O ATOM 692 CB GLU A 101 -1.332 9.573 -4.599 1.00 0.00 C ATOM 693 CG GLU A 101 -2.623 10.375 -4.795 1.00 0.00 C ATOM 694 CD GLU A 101 -2.399 11.489 -5.814 1.00 0.00 C ATOM 695 OE1 GLU A 101 -1.517 12.300 -5.590 1.00 0.00 O ATOM 696 OE2 GLU A 101 -3.116 11.515 -6.802 1.00 0.00 O ATOM 0 H GLU A 101 -2.983 7.766 -4.861 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.177 9.003 -6.671 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.335 9.095 -3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.471 10.240 -4.626 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.422 9.716 -5.135 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.944 10.800 -3.844 1.00 0.00 H new ATOM 703 N LEU A 102 0.076 6.832 -4.518 1.00 0.00 N ATOM 704 CA LEU A 102 1.250 6.017 -4.232 1.00 0.00 C ATOM 705 C LEU A 102 1.605 5.140 -5.430 1.00 0.00 C ATOM 706 O LEU A 102 2.679 5.283 -6.019 1.00 0.00 O ATOM 707 CB LEU A 102 0.983 5.137 -3.010 1.00 0.00 C ATOM 708 CG LEU A 102 0.770 6.017 -1.773 1.00 0.00 C ATOM 709 CD1 LEU A 102 0.188 5.166 -0.642 1.00 0.00 C ATOM 710 CD2 LEU A 102 2.105 6.621 -1.319 1.00 0.00 C ATOM 0 H LEU A 102 -0.722 6.655 -3.908 1.00 0.00 H new ATOM 0 HA LEU A 102 2.090 6.681 -4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.103 4.517 -3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.822 4.461 -2.847 1.00 0.00 H new ATOM 0 HG LEU A 102 0.081 6.824 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.035 5.788 0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.766 4.744 -0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.880 4.359 -0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.942 7.244 -0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.802 5.820 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.521 7.229 -2.122 1.00 0.00 H new ATOM 722 N ARG A 103 0.701 4.232 -5.788 1.00 0.00 N ATOM 723 CA ARG A 103 0.939 3.341 -6.919 1.00 0.00 C ATOM 724 C ARG A 103 1.351 4.141 -8.151 1.00 0.00 C ATOM 725 O ARG A 103 2.200 3.711 -8.933 1.00 0.00 O ATOM 726 CB ARG A 103 -0.323 2.528 -7.226 1.00 0.00 C ATOM 727 CG ARG A 103 -1.392 3.441 -7.824 1.00 0.00 C ATOM 728 CD ARG A 103 -2.726 2.695 -7.899 1.00 0.00 C ATOM 729 NE ARG A 103 -3.622 3.356 -8.839 1.00 0.00 N ATOM 730 CZ ARG A 103 -4.803 2.832 -9.149 1.00 0.00 C ATOM 731 NH1 ARG A 103 -5.180 1.706 -8.609 1.00 0.00 N ATOM 732 NH2 ARG A 103 -5.587 3.444 -9.995 1.00 0.00 N ATOM 0 H ARG A 103 -0.193 4.095 -5.317 1.00 0.00 H new ATOM 0 HA ARG A 103 1.748 2.659 -6.656 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.088 1.723 -7.922 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -0.698 2.062 -6.315 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.500 4.338 -7.214 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.090 3.767 -8.819 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.557 1.664 -8.210 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.186 2.658 -6.912 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.337 4.237 -9.267 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.568 1.227 -7.948 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -6.087 1.304 -8.847 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.293 4.324 -10.418 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -6.494 3.042 -10.233 1.00 0.00 H new ATOM 746 N ASP A 104 0.744 5.312 -8.317 1.00 0.00 N ATOM 747 CA ASP A 104 1.059 6.164 -9.456 1.00 0.00 C ATOM 748 C ASP A 104 2.497 6.662 -9.366 1.00 0.00 C ATOM 749 O ASP A 104 3.276 6.513 -10.307 1.00 0.00 O ATOM 750 CB ASP A 104 0.104 7.355 -9.496 1.00 0.00 C ATOM 751 CG ASP A 104 0.521 8.325 -10.596 1.00 0.00 C ATOM 752 OD1 ASP A 104 0.491 7.929 -11.750 1.00 0.00 O ATOM 753 OD2 ASP A 104 0.863 9.449 -10.269 1.00 0.00 O ATOM 0 H ASP A 104 0.039 5.689 -7.684 1.00 0.00 H new ATOM 0 HA ASP A 104 0.945 5.579 -10.369 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -0.914 7.009 -9.673 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.105 7.864 -8.532 1.00 0.00 H new ATOM 758 N THR A 105 2.838 7.257 -8.229 1.00 0.00 N ATOM 759 CA THR A 105 4.183 7.777 -8.026 1.00 0.00 C ATOM 760 C THR A 105 5.226 6.733 -8.411 1.00 0.00 C ATOM 761 O THR A 105 6.038 6.957 -9.309 1.00 0.00 O ATOM 762 CB THR A 105 4.376 8.181 -6.561 1.00 0.00 C ATOM 763 OG1 THR A 105 3.203 8.829 -6.093 1.00 0.00 O ATOM 764 CG2 THR A 105 5.570 9.131 -6.442 1.00 0.00 C ATOM 0 H THR A 105 2.206 7.390 -7.439 1.00 0.00 H new ATOM 0 HA THR A 105 4.311 8.653 -8.662 1.00 0.00 H new ATOM 0 HB THR A 105 4.564 7.291 -5.961 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.532 8.157 -5.852 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.705 9.417 -5.399 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.470 8.631 -6.801 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.387 10.023 -7.042 1.00 0.00 H new ATOM 772 N ILE A 106 5.203 5.593 -7.728 1.00 0.00 N ATOM 773 CA ILE A 106 6.158 4.531 -8.014 1.00 0.00 C ATOM 774 C ILE A 106 6.063 4.101 -9.476 1.00 0.00 C ATOM 775 O ILE A 106 7.058 3.698 -10.077 1.00 0.00 O ATOM 776 CB ILE A 106 5.898 3.329 -7.104 1.00 0.00 C ATOM 777 CG1 ILE A 106 4.553 2.694 -7.460 1.00 0.00 C ATOM 778 CG2 ILE A 106 5.864 3.794 -5.646 1.00 0.00 C ATOM 779 CD1 ILE A 106 4.261 1.552 -6.488 1.00 0.00 C ATOM 0 H ILE A 106 4.541 5.383 -6.981 1.00 0.00 H new ATOM 0 HA ILE A 106 7.161 4.913 -7.826 1.00 0.00 H new ATOM 0 HB ILE A 106 6.693 2.596 -7.240 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.761 3.441 -7.410 1.00 0.00 H new ATOM 0 HG13 ILE A 106 4.574 2.319 -8.483 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.679 2.939 -4.996 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.821 4.247 -5.386 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.068 4.527 -5.516 1.00 0.00 H new ATOM 0 HD11 ILE A 106 3.303 1.097 -6.739 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.049 0.802 -6.560 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.223 1.941 -5.471 1.00 0.00 H new ATOM 791 N ASN A 107 4.862 4.188 -10.044 1.00 0.00 N ATOM 792 CA ASN A 107 4.665 3.801 -11.435 1.00 0.00 C ATOM 793 C ASN A 107 5.249 4.853 -12.377 1.00 0.00 C ATOM 794 O ASN A 107 5.513 4.571 -13.546 1.00 0.00 O ATOM 795 CB ASN A 107 3.171 3.627 -11.719 1.00 0.00 C ATOM 796 CG ASN A 107 2.721 2.221 -11.334 1.00 0.00 C ATOM 797 OD1 ASN A 107 3.433 1.249 -11.588 1.00 0.00 O ATOM 798 ND2 ASN A 107 1.576 2.054 -10.731 1.00 0.00 N ATOM 0 H ASN A 107 4.022 4.519 -9.569 1.00 0.00 H new ATOM 0 HA ASN A 107 5.181 2.856 -11.607 1.00 0.00 H new ATOM 0 HB2 ASN A 107 2.599 4.366 -11.158 1.00 0.00 H new ATOM 0 HB3 ASN A 107 2.971 3.804 -12.776 1.00 0.00 H new ATOM 0 HD21 ASN A 107 1.269 1.117 -10.469 1.00 0.00 H new ATOM 0 HD22 ASN A 107 0.988 2.860 -10.521 1.00 0.00 H new ATOM 805 N THR A 108 5.445 6.064 -11.864 1.00 0.00 N ATOM 806 CA THR A 108 5.996 7.149 -12.673 1.00 0.00 C ATOM 807 C THR A 108 7.098 7.880 -11.914 1.00 0.00 C ATOM 808 O THR A 108 7.290 9.085 -12.082 1.00 0.00 O ATOM 809 CB THR A 108 4.888 8.139 -13.048 1.00 0.00 C ATOM 810 OG1 THR A 108 5.454 9.227 -13.764 1.00 0.00 O ATOM 811 CG2 THR A 108 4.201 8.665 -11.780 1.00 0.00 C ATOM 0 H THR A 108 5.233 6.319 -10.899 1.00 0.00 H new ATOM 0 HA THR A 108 6.420 6.718 -13.580 1.00 0.00 H new ATOM 0 HB THR A 108 4.149 7.632 -13.669 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.078 9.711 -13.184 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.415 9.368 -12.057 1.00 0.00 H new ATOM 0 HG22 THR A 108 3.765 7.831 -11.230 1.00 0.00 H new ATOM 0 HG23 THR A 108 4.935 9.170 -11.152 1.00 0.00 H new ATOM 819 N SER A 109 7.826 7.140 -11.080 1.00 0.00 N ATOM 820 CA SER A 109 8.916 7.721 -10.300 1.00 0.00 C ATOM 821 C SER A 109 10.194 6.913 -10.485 1.00 0.00 C ATOM 822 O SER A 109 10.192 5.867 -11.136 1.00 0.00 O ATOM 823 CB SER A 109 8.544 7.752 -8.818 1.00 0.00 C ATOM 824 OG SER A 109 9.669 8.180 -8.060 1.00 0.00 O ATOM 0 H SER A 109 7.682 6.142 -10.928 1.00 0.00 H new ATOM 0 HA SER A 109 9.085 8.739 -10.652 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.704 8.427 -8.656 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.225 6.762 -8.490 1.00 0.00 H new ATOM 0 HG SER A 109 9.433 8.203 -7.109 1.00 0.00 H new ATOM 830 N CYS A 110 11.285 7.406 -9.910 1.00 0.00 N ATOM 831 CA CYS A 110 12.569 6.724 -10.015 1.00 0.00 C ATOM 832 C CYS A 110 13.426 7.021 -8.792 1.00 0.00 C ATOM 833 O CYS A 110 14.655 7.005 -8.863 1.00 0.00 O ATOM 834 CB CYS A 110 13.302 7.182 -11.278 1.00 0.00 C ATOM 835 SG CYS A 110 14.683 6.061 -11.614 1.00 0.00 S ATOM 0 H CYS A 110 11.306 8.271 -9.369 1.00 0.00 H new ATOM 0 HA CYS A 110 12.389 5.650 -10.071 1.00 0.00 H new ATOM 0 HB2 CYS A 110 12.616 7.195 -12.125 1.00 0.00 H new ATOM 0 HB3 CYS A 110 13.669 8.200 -11.149 1.00 0.00 H new ATOM 0 HG CYS A 110 15.379 5.892 -10.529 1.00 0.00 H new ATOM 841 N ASP A 111 12.769 7.290 -7.667 1.00 0.00 N ATOM 842 CA ASP A 111 13.482 7.587 -6.427 1.00 0.00 C ATOM 843 C ASP A 111 13.446 6.372 -5.505 1.00 0.00 C ATOM 844 O ASP A 111 12.381 5.936 -5.079 1.00 0.00 O ATOM 845 CB ASP A 111 12.842 8.797 -5.734 1.00 0.00 C ATOM 846 CG ASP A 111 13.555 10.080 -6.148 1.00 0.00 C ATOM 847 OD1 ASP A 111 13.564 10.375 -7.332 1.00 0.00 O ATOM 848 OD2 ASP A 111 14.084 10.750 -5.276 1.00 0.00 O ATOM 0 H ASP A 111 11.752 7.309 -7.588 1.00 0.00 H new ATOM 0 HA ASP A 111 14.521 7.823 -6.659 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.786 8.859 -5.996 1.00 0.00 H new ATOM 0 HB3 ASP A 111 12.895 8.676 -4.652 1.00 0.00 H new ATOM 853 N ILE A 112 14.617 5.824 -5.213 1.00 0.00 N ATOM 854 CA ILE A 112 14.705 4.650 -4.354 1.00 0.00 C ATOM 855 C ILE A 112 14.022 4.898 -3.013 1.00 0.00 C ATOM 856 O ILE A 112 13.042 4.237 -2.675 1.00 0.00 O ATOM 857 CB ILE A 112 16.170 4.285 -4.113 1.00 0.00 C ATOM 858 CG1 ILE A 112 16.879 4.066 -5.460 1.00 0.00 C ATOM 859 CG2 ILE A 112 16.241 3.010 -3.269 1.00 0.00 C ATOM 860 CD1 ILE A 112 16.683 2.622 -5.937 1.00 0.00 C ATOM 0 H ILE A 112 15.514 6.170 -5.555 1.00 0.00 H new ATOM 0 HA ILE A 112 14.198 3.828 -4.858 1.00 0.00 H new ATOM 0 HB ILE A 112 16.667 5.097 -3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 112 16.484 4.758 -6.203 1.00 0.00 H new ATOM 0 HG13 ILE A 112 17.943 4.281 -5.358 1.00 0.00 H new ATOM 0 HG21 ILE A 112 17.284 2.746 -3.095 1.00 0.00 H new ATOM 0 HG22 ILE A 112 15.745 3.178 -2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 112 15.744 2.196 -3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 112 17.190 2.482 -6.892 1.00 0.00 H new ATOM 0 HD12 ILE A 112 17.100 1.936 -5.200 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.619 2.420 -6.059 1.00 0.00 H new ATOM 872 N GLU A 113 14.554 5.844 -2.248 1.00 0.00 N ATOM 873 CA GLU A 113 13.992 6.158 -0.940 1.00 0.00 C ATOM 874 C GLU A 113 12.480 6.361 -1.024 1.00 0.00 C ATOM 875 O GLU A 113 11.727 5.812 -0.219 1.00 0.00 O ATOM 876 CB GLU A 113 14.653 7.418 -0.374 1.00 0.00 C ATOM 877 CG GLU A 113 14.793 8.472 -1.475 1.00 0.00 C ATOM 878 CD GLU A 113 15.465 9.721 -0.916 1.00 0.00 C ATOM 879 OE1 GLU A 113 15.699 9.760 0.280 1.00 0.00 O ATOM 880 OE2 GLU A 113 15.736 10.622 -1.694 1.00 0.00 O ATOM 0 H GLU A 113 15.367 6.403 -2.508 1.00 0.00 H new ATOM 0 HA GLU A 113 14.188 5.315 -0.277 1.00 0.00 H new ATOM 0 HB2 GLU A 113 14.056 7.815 0.447 1.00 0.00 H new ATOM 0 HB3 GLU A 113 15.634 7.173 0.034 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.380 8.071 -2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 113 13.811 8.725 -1.875 1.00 0.00 H new ATOM 887 N LEU A 114 12.043 7.151 -1.997 1.00 0.00 N ATOM 888 CA LEU A 114 10.618 7.421 -2.170 1.00 0.00 C ATOM 889 C LEU A 114 9.862 6.123 -2.428 1.00 0.00 C ATOM 890 O LEU A 114 8.967 5.750 -1.669 1.00 0.00 O ATOM 891 CB LEU A 114 10.419 8.391 -3.345 1.00 0.00 C ATOM 892 CG LEU A 114 8.940 8.804 -3.494 1.00 0.00 C ATOM 893 CD1 LEU A 114 8.103 7.629 -4.020 1.00 0.00 C ATOM 894 CD2 LEU A 114 8.379 9.274 -2.146 1.00 0.00 C ATOM 0 H LEU A 114 12.649 7.614 -2.675 1.00 0.00 H new ATOM 0 HA LEU A 114 10.227 7.874 -1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 114 11.032 9.279 -3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 114 10.761 7.922 -4.267 1.00 0.00 H new ATOM 0 HG LEU A 114 8.886 9.625 -4.209 1.00 0.00 H new ATOM 0 HD11 LEU A 114 7.063 7.939 -4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 114 8.483 7.318 -4.993 1.00 0.00 H new ATOM 0 HD13 LEU A 114 8.168 6.794 -3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 114 7.335 9.562 -2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 114 8.450 8.464 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 114 8.953 10.130 -1.792 1.00 0.00 H new ATOM 906 N LEU A 115 10.225 5.440 -3.510 1.00 0.00 N ATOM 907 CA LEU A 115 9.576 4.188 -3.864 1.00 0.00 C ATOM 908 C LEU A 115 9.538 3.247 -2.665 1.00 0.00 C ATOM 909 O LEU A 115 8.527 2.595 -2.406 1.00 0.00 O ATOM 910 CB LEU A 115 10.329 3.530 -5.026 1.00 0.00 C ATOM 911 CG LEU A 115 9.719 3.978 -6.373 1.00 0.00 C ATOM 912 CD1 LEU A 115 10.660 4.942 -7.088 1.00 0.00 C ATOM 913 CD2 LEU A 115 9.480 2.754 -7.251 1.00 0.00 C ATOM 0 H LEU A 115 10.962 5.733 -4.152 1.00 0.00 H new ATOM 0 HA LEU A 115 8.551 4.396 -4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.384 3.802 -4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.276 2.445 -4.936 1.00 0.00 H new ATOM 0 HG LEU A 115 8.774 4.487 -6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.216 5.248 -8.035 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.825 5.820 -6.464 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.613 4.447 -7.277 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.050 3.067 -8.202 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.427 2.245 -7.431 1.00 0.00 H new ATOM 0 HD23 LEU A 115 8.793 2.074 -6.748 1.00 0.00 H new ATOM 925 N ALA A 116 10.644 3.188 -1.933 1.00 0.00 N ATOM 926 CA ALA A 116 10.724 2.327 -0.759 1.00 0.00 C ATOM 927 C ALA A 116 9.618 2.684 0.228 1.00 0.00 C ATOM 928 O ALA A 116 8.947 1.804 0.766 1.00 0.00 O ATOM 929 CB ALA A 116 12.087 2.490 -0.083 1.00 0.00 C ATOM 0 H ALA A 116 11.491 3.721 -2.129 1.00 0.00 H new ATOM 0 HA ALA A 116 10.601 1.291 -1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.138 1.843 0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.876 2.215 -0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 116 12.219 3.528 0.224 1.00 0.00 H new ATOM 935 N ALA A 117 9.433 3.979 0.454 1.00 0.00 N ATOM 936 CA ALA A 117 8.402 4.445 1.372 1.00 0.00 C ATOM 937 C ALA A 117 7.031 3.942 0.925 1.00 0.00 C ATOM 938 O ALA A 117 6.311 3.306 1.693 1.00 0.00 O ATOM 939 CB ALA A 117 8.400 5.974 1.420 1.00 0.00 C ATOM 0 H ALA A 117 9.980 4.721 0.017 1.00 0.00 H new ATOM 0 HA ALA A 117 8.616 4.054 2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 117 7.627 6.315 2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.372 6.329 1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.199 6.369 0.424 1.00 0.00 H new ATOM 945 N CYS A 118 6.684 4.227 -0.326 1.00 0.00 N ATOM 946 CA CYS A 118 5.401 3.796 -0.872 1.00 0.00 C ATOM 947 C CYS A 118 5.182 2.306 -0.616 1.00 0.00 C ATOM 948 O CYS A 118 4.176 1.906 -0.027 1.00 0.00 O ATOM 949 CB CYS A 118 5.366 4.066 -2.378 1.00 0.00 C ATOM 950 SG CYS A 118 5.315 5.851 -2.670 1.00 0.00 S ATOM 0 H CYS A 118 7.268 4.751 -0.977 1.00 0.00 H new ATOM 0 HA CYS A 118 4.607 4.357 -0.379 1.00 0.00 H new ATOM 0 HB2 CYS A 118 6.245 3.633 -2.856 1.00 0.00 H new ATOM 0 HB3 CYS A 118 4.493 3.589 -2.824 1.00 0.00 H new ATOM 0 HG CYS A 118 5.288 6.081 -3.949 1.00 0.00 H new ATOM 956 N ARG A 119 6.130 1.490 -1.065 1.00 0.00 N ATOM 957 CA ARG A 119 6.031 0.048 -0.882 1.00 0.00 C ATOM 958 C ARG A 119 5.749 -0.290 0.578 1.00 0.00 C ATOM 959 O ARG A 119 4.872 -1.100 0.879 1.00 0.00 O ATOM 960 CB ARG A 119 7.336 -0.624 -1.324 1.00 0.00 C ATOM 961 CG ARG A 119 7.351 -0.765 -2.848 1.00 0.00 C ATOM 962 CD ARG A 119 8.769 -1.088 -3.319 1.00 0.00 C ATOM 963 NE ARG A 119 8.777 -1.356 -4.753 1.00 0.00 N ATOM 964 CZ ARG A 119 9.906 -1.314 -5.453 1.00 0.00 C ATOM 965 NH1 ARG A 119 11.031 -1.029 -4.859 1.00 0.00 N ATOM 966 NH2 ARG A 119 9.887 -1.559 -6.735 1.00 0.00 N ATOM 0 H ARG A 119 6.969 1.800 -1.555 1.00 0.00 H new ATOM 0 HA ARG A 119 5.207 -0.322 -1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 119 8.191 -0.033 -0.995 1.00 0.00 H new ATOM 0 HB3 ARG A 119 7.428 -1.605 -0.857 1.00 0.00 H new ATOM 0 HG2 ARG A 119 6.666 -1.554 -3.157 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.004 0.158 -3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 119 9.433 -0.253 -3.094 1.00 0.00 H new ATOM 0 HD3 ARG A 119 9.151 -1.954 -2.778 1.00 0.00 H new ATOM 0 HE ARG A 119 7.902 -1.579 -5.226 1.00 0.00 H new ATOM 0 HH11 ARG A 119 11.045 -0.838 -3.857 1.00 0.00 H new ATOM 0 HH12 ARG A 119 11.897 -0.997 -5.396 1.00 0.00 H new ATOM 0 HH21 ARG A 119 9.006 -1.782 -7.199 1.00 0.00 H new ATOM 0 HH22 ARG A 119 10.753 -1.527 -7.273 1.00 0.00 H new ATOM 980 N GLU A 120 6.495 0.338 1.481 1.00 0.00 N ATOM 981 CA GLU A 120 6.313 0.092 2.906 1.00 0.00 C ATOM 982 C GLU A 120 4.881 0.413 3.324 1.00 0.00 C ATOM 983 O GLU A 120 4.233 -0.379 4.009 1.00 0.00 O ATOM 984 CB GLU A 120 7.288 0.946 3.718 1.00 0.00 C ATOM 985 CG GLU A 120 8.707 0.401 3.547 1.00 0.00 C ATOM 986 CD GLU A 120 8.873 -0.883 4.350 1.00 0.00 C ATOM 987 OE1 GLU A 120 7.925 -1.269 5.014 1.00 0.00 O ATOM 988 OE2 GLU A 120 9.946 -1.462 4.290 1.00 0.00 O ATOM 0 H GLU A 120 7.224 1.014 1.254 1.00 0.00 H new ATOM 0 HA GLU A 120 6.511 -0.962 3.100 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.243 1.983 3.386 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.007 0.936 4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 120 8.907 0.209 2.493 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.433 1.143 3.879 1.00 0.00 H new ATOM 995 N GLU A 121 4.391 1.575 2.902 1.00 0.00 N ATOM 996 CA GLU A 121 3.034 1.976 3.239 1.00 0.00 C ATOM 997 C GLU A 121 2.061 0.851 2.901 1.00 0.00 C ATOM 998 O GLU A 121 1.212 0.490 3.713 1.00 0.00 O ATOM 999 CB GLU A 121 2.656 3.252 2.475 1.00 0.00 C ATOM 1000 CG GLU A 121 3.010 4.482 3.312 1.00 0.00 C ATOM 1001 CD GLU A 121 4.520 4.551 3.526 1.00 0.00 C ATOM 1002 OE1 GLU A 121 5.021 3.772 4.318 1.00 0.00 O ATOM 1003 OE2 GLU A 121 5.150 5.383 2.894 1.00 0.00 O ATOM 0 H GLU A 121 4.907 2.246 2.333 1.00 0.00 H new ATOM 0 HA GLU A 121 2.979 2.180 4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.183 3.286 1.522 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.590 3.249 2.249 1.00 0.00 H new ATOM 0 HG2 GLU A 121 2.664 5.386 2.810 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.500 4.437 4.274 1.00 0.00 H new ATOM 1010 N PHE A 122 2.200 0.290 1.702 1.00 0.00 N ATOM 1011 CA PHE A 122 1.329 -0.804 1.290 1.00 0.00 C ATOM 1012 C PHE A 122 1.469 -1.975 2.256 1.00 0.00 C ATOM 1013 O PHE A 122 0.505 -2.371 2.911 1.00 0.00 O ATOM 1014 CB PHE A 122 1.687 -1.283 -0.122 1.00 0.00 C ATOM 1015 CG PHE A 122 1.477 -0.188 -1.148 1.00 0.00 C ATOM 1016 CD1 PHE A 122 0.428 0.739 -1.018 1.00 0.00 C ATOM 1017 CD2 PHE A 122 2.335 -0.113 -2.251 1.00 0.00 C ATOM 1018 CE1 PHE A 122 0.249 1.733 -1.989 1.00 0.00 C ATOM 1019 CE2 PHE A 122 2.153 0.879 -3.220 1.00 0.00 C ATOM 1020 CZ PHE A 122 1.112 1.801 -3.090 1.00 0.00 C ATOM 0 H PHE A 122 2.895 0.570 1.010 1.00 0.00 H new ATOM 0 HA PHE A 122 0.303 -0.437 1.295 1.00 0.00 H new ATOM 0 HB2 PHE A 122 2.727 -1.610 -0.144 1.00 0.00 H new ATOM 0 HB3 PHE A 122 1.076 -2.148 -0.380 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -0.239 0.685 -0.170 1.00 0.00 H new ATOM 0 HD2 PHE A 122 3.141 -0.824 -2.354 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.555 2.447 -1.888 1.00 0.00 H new ATOM 0 HE2 PHE A 122 2.818 0.932 -4.069 1.00 0.00 H new ATOM 0 HZ PHE A 122 0.972 2.567 -3.839 1.00 0.00 H new ATOM 1030 N HIS A 123 2.678 -2.525 2.337 1.00 0.00 N ATOM 1031 CA HIS A 123 2.945 -3.655 3.221 1.00 0.00 C ATOM 1032 C HIS A 123 2.170 -3.517 4.527 1.00 0.00 C ATOM 1033 O HIS A 123 1.616 -4.490 5.037 1.00 0.00 O ATOM 1034 CB HIS A 123 4.443 -3.739 3.518 1.00 0.00 C ATOM 1035 CG HIS A 123 4.700 -4.850 4.499 1.00 0.00 C ATOM 1036 ND1 HIS A 123 4.365 -6.167 4.230 1.00 0.00 N ATOM 1037 CD2 HIS A 123 5.258 -4.855 5.753 1.00 0.00 C ATOM 1038 CE1 HIS A 123 4.722 -6.904 5.297 1.00 0.00 C ATOM 1039 NE2 HIS A 123 5.270 -6.153 6.256 1.00 0.00 N ATOM 0 H HIS A 123 3.486 -2.207 1.802 1.00 0.00 H new ATOM 0 HA HIS A 123 2.620 -4.567 2.720 1.00 0.00 H new ATOM 0 HB2 HIS A 123 4.997 -3.918 2.597 1.00 0.00 H new ATOM 0 HB3 HIS A 123 4.797 -2.792 3.924 1.00 0.00 H new ATOM 0 HD2 HIS A 123 5.631 -3.984 6.271 1.00 0.00 H new ATOM 0 HE1 HIS A 123 4.583 -7.973 5.369 1.00 0.00 H new ATOM 0 HE2 HIS A 123 5.622 -6.464 7.162 1.00 0.00 H new ATOM 1047 N ARG A 124 2.134 -2.302 5.063 1.00 0.00 N ATOM 1048 CA ARG A 124 1.424 -2.053 6.310 1.00 0.00 C ATOM 1049 C ARG A 124 -0.087 -2.169 6.099 1.00 0.00 C ATOM 1050 O ARG A 124 -0.790 -2.792 6.895 1.00 0.00 O ATOM 1051 CB ARG A 124 1.769 -0.653 6.838 1.00 0.00 C ATOM 1052 CG ARG A 124 2.714 -0.765 8.038 1.00 0.00 C ATOM 1053 CD ARG A 124 3.321 0.605 8.341 1.00 0.00 C ATOM 1054 NE ARG A 124 2.315 1.649 8.178 1.00 0.00 N ATOM 1055 CZ ARG A 124 2.665 2.920 8.001 1.00 0.00 C ATOM 1056 NH1 ARG A 124 3.927 3.251 7.972 1.00 0.00 N ATOM 1057 NH2 ARG A 124 1.745 3.836 7.858 1.00 0.00 N ATOM 0 H ARG A 124 2.584 -1.481 4.657 1.00 0.00 H new ATOM 0 HA ARG A 124 1.733 -2.800 7.041 1.00 0.00 H new ATOM 0 HB2 ARG A 124 2.237 -0.063 6.050 1.00 0.00 H new ATOM 0 HB3 ARG A 124 0.858 -0.130 7.129 1.00 0.00 H new ATOM 0 HG2 ARG A 124 2.171 -1.134 8.908 1.00 0.00 H new ATOM 0 HG3 ARG A 124 3.504 -1.485 7.826 1.00 0.00 H new ATOM 0 HD2 ARG A 124 3.711 0.621 9.359 1.00 0.00 H new ATOM 0 HD3 ARG A 124 4.163 0.793 7.674 1.00 0.00 H new ATOM 0 HE ARG A 124 1.326 1.400 8.200 1.00 0.00 H new ATOM 0 HH11 ARG A 124 4.645 2.535 8.085 1.00 0.00 H new ATOM 0 HH12 ARG A 124 4.196 4.226 7.836 1.00 0.00 H new ATOM 0 HH21 ARG A 124 0.759 3.577 7.882 1.00 0.00 H new ATOM 0 HH22 ARG A 124 2.013 4.811 7.722 1.00 0.00 H new ATOM 1071 N ARG A 125 -0.576 -1.557 5.027 1.00 0.00 N ATOM 1072 CA ARG A 125 -2.002 -1.590 4.727 1.00 0.00 C ATOM 1073 C ARG A 125 -2.453 -3.007 4.375 1.00 0.00 C ATOM 1074 O ARG A 125 -3.623 -3.348 4.535 1.00 0.00 O ATOM 1075 CB ARG A 125 -2.307 -0.640 3.560 1.00 0.00 C ATOM 1076 CG ARG A 125 -2.703 0.740 4.105 1.00 0.00 C ATOM 1077 CD ARG A 125 -2.448 1.818 3.042 1.00 0.00 C ATOM 1078 NE ARG A 125 -1.163 2.465 3.284 1.00 0.00 N ATOM 1079 CZ ARG A 125 -0.963 3.209 4.368 1.00 0.00 C ATOM 1080 NH1 ARG A 125 -1.924 3.369 5.236 1.00 0.00 N ATOM 1081 NH2 ARG A 125 0.195 3.778 4.566 1.00 0.00 N ATOM 0 H ARG A 125 -0.011 -1.036 4.356 1.00 0.00 H new ATOM 0 HA ARG A 125 -2.549 -1.267 5.613 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.433 -0.550 2.914 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -3.114 -1.046 2.950 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -3.755 0.740 4.389 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.130 0.963 5.005 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -2.457 1.370 2.048 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -3.247 2.559 3.065 1.00 0.00 H new ATOM 0 HE ARG A 125 -0.406 2.345 2.611 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -2.829 2.923 5.083 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -1.771 3.940 6.067 1.00 0.00 H new ATOM 0 HH21 ARG A 125 0.947 3.652 3.889 1.00 0.00 H new ATOM 0 HH22 ARG A 125 0.347 4.348 5.398 1.00 0.00 H new ATOM 1095 N LEU A 126 -1.523 -3.825 3.894 1.00 0.00 N ATOM 1096 CA LEU A 126 -1.849 -5.199 3.522 1.00 0.00 C ATOM 1097 C LEU A 126 -1.935 -6.088 4.759 1.00 0.00 C ATOM 1098 O LEU A 126 -2.992 -6.643 5.060 1.00 0.00 O ATOM 1099 CB LEU A 126 -0.785 -5.749 2.559 1.00 0.00 C ATOM 1100 CG LEU A 126 -1.175 -5.463 1.100 1.00 0.00 C ATOM 1101 CD1 LEU A 126 -2.470 -6.203 0.739 1.00 0.00 C ATOM 1102 CD2 LEU A 126 -1.368 -3.954 0.901 1.00 0.00 C ATOM 0 H LEU A 126 -0.547 -3.565 3.753 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.820 -5.199 3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.181 -5.295 2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.673 -6.823 2.707 1.00 0.00 H new ATOM 0 HG LEU A 126 -0.376 -5.815 0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.734 -5.991 -0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -2.323 -7.276 0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.275 -5.869 1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.644 -3.756 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.158 -3.598 1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -0.439 -3.434 1.134 1.00 0.00 H new ATOM 1114 N LYS A 127 -0.821 -6.228 5.468 1.00 0.00 N ATOM 1115 CA LYS A 127 -0.795 -7.064 6.664 1.00 0.00 C ATOM 1116 C LYS A 127 -1.913 -6.665 7.624 1.00 0.00 C ATOM 1117 O LYS A 127 -2.532 -7.523 8.256 1.00 0.00 O ATOM 1118 CB LYS A 127 0.563 -6.946 7.362 1.00 0.00 C ATOM 1119 CG LYS A 127 0.783 -5.504 7.852 1.00 0.00 C ATOM 1120 CD LYS A 127 0.457 -5.398 9.347 1.00 0.00 C ATOM 1121 CE LYS A 127 1.670 -5.837 10.172 1.00 0.00 C ATOM 1122 NZ LYS A 127 2.690 -4.750 10.173 1.00 0.00 N ATOM 0 H LYS A 127 0.066 -5.780 5.240 1.00 0.00 H new ATOM 0 HA LYS A 127 -0.950 -8.100 6.363 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.608 -7.636 8.205 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.360 -7.230 6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 127 1.816 -5.206 7.675 1.00 0.00 H new ATOM 0 HG3 LYS A 127 0.152 -4.819 7.285 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.186 -4.373 9.598 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.403 -6.023 9.587 1.00 0.00 H new ATOM 0 HE2 LYS A 127 1.365 -6.065 11.193 1.00 0.00 H new ATOM 0 HE3 LYS A 127 2.096 -6.750 9.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 3.359 -4.902 10.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 3.205 -4.757 9.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 2.218 -3.831 10.296 1.00 0.00 H new ATOM 1136 N VAL A 128 -2.169 -5.364 7.734 1.00 0.00 N ATOM 1137 CA VAL A 128 -3.218 -4.885 8.629 1.00 0.00 C ATOM 1138 C VAL A 128 -4.597 -5.165 8.037 1.00 0.00 C ATOM 1139 O VAL A 128 -5.510 -5.586 8.745 1.00 0.00 O ATOM 1140 CB VAL A 128 -3.039 -3.385 8.883 1.00 0.00 C ATOM 1141 CG1 VAL A 128 -3.657 -2.578 7.740 1.00 0.00 C ATOM 1142 CG2 VAL A 128 -3.720 -3.002 10.201 1.00 0.00 C ATOM 0 H VAL A 128 -1.673 -4.633 7.224 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.141 -5.416 9.578 1.00 0.00 H new ATOM 0 HB VAL A 128 -1.974 -3.162 8.941 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -3.523 -1.513 7.932 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -3.168 -2.842 6.802 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -4.721 -2.803 7.670 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -3.592 -1.935 10.380 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -4.783 -3.235 10.142 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -3.270 -3.564 11.020 1.00 0.00 H new ATOM 1152 N TYR A 129 -4.737 -4.938 6.736 1.00 0.00 N ATOM 1153 CA TYR A 129 -6.008 -5.179 6.065 1.00 0.00 C ATOM 1154 C TYR A 129 -6.377 -6.655 6.174 1.00 0.00 C ATOM 1155 O TYR A 129 -7.544 -7.006 6.342 1.00 0.00 O ATOM 1156 CB TYR A 129 -5.895 -4.778 4.591 1.00 0.00 C ATOM 1157 CG TYR A 129 -7.013 -5.404 3.791 1.00 0.00 C ATOM 1158 CD1 TYR A 129 -8.348 -5.159 4.137 1.00 0.00 C ATOM 1159 CD2 TYR A 129 -6.713 -6.225 2.697 1.00 0.00 C ATOM 1160 CE1 TYR A 129 -9.383 -5.736 3.389 1.00 0.00 C ATOM 1161 CE2 TYR A 129 -7.747 -6.803 1.950 1.00 0.00 C ATOM 1162 CZ TYR A 129 -9.081 -6.558 2.295 1.00 0.00 C ATOM 1163 OH TYR A 129 -10.099 -7.126 1.557 1.00 0.00 O ATOM 0 H TYR A 129 -3.994 -4.591 6.130 1.00 0.00 H new ATOM 0 HA TYR A 129 -6.786 -4.582 6.541 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.935 -3.693 4.498 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -4.931 -5.096 4.193 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.580 -4.525 4.980 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -5.684 -6.413 2.429 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -10.412 -5.547 3.655 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -7.515 -7.438 1.108 1.00 0.00 H new ATOM 0 HH TYR A 129 -9.717 -7.666 0.834 1.00 0.00 H new ATOM 1173 N HIS A 130 -5.368 -7.512 6.073 1.00 0.00 N ATOM 1174 CA HIS A 130 -5.586 -8.951 6.159 1.00 0.00 C ATOM 1175 C HIS A 130 -5.852 -9.371 7.601 1.00 0.00 C ATOM 1176 O HIS A 130 -6.624 -10.295 7.854 1.00 0.00 O ATOM 1177 CB HIS A 130 -4.360 -9.697 5.627 1.00 0.00 C ATOM 1178 CG HIS A 130 -4.294 -9.555 4.131 1.00 0.00 C ATOM 1179 ND1 HIS A 130 -5.298 -10.023 3.299 1.00 0.00 N ATOM 1180 CD2 HIS A 130 -3.349 -9.002 3.303 1.00 0.00 C ATOM 1181 CE1 HIS A 130 -4.939 -9.746 2.033 1.00 0.00 C ATOM 1182 NE2 HIS A 130 -3.758 -9.123 1.979 1.00 0.00 N ATOM 0 H HIS A 130 -4.396 -7.238 5.932 1.00 0.00 H new ATOM 0 HA HIS A 130 -6.457 -9.203 5.554 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -3.453 -9.297 6.081 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -4.416 -10.751 5.900 1.00 0.00 H new ATOM 0 HD1 HIS A 130 -6.154 -10.493 3.593 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -2.428 -8.543 3.630 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -5.532 -9.996 1.166 1.00 0.00 H new ATOM 1190 N ALA A 131 -5.209 -8.686 8.540 1.00 0.00 N ATOM 1191 CA ALA A 131 -5.386 -9.002 9.953 1.00 0.00 C ATOM 1192 C ALA A 131 -6.771 -8.573 10.423 1.00 0.00 C ATOM 1193 O ALA A 131 -7.523 -9.371 10.981 1.00 0.00 O ATOM 1194 CB ALA A 131 -4.318 -8.288 10.784 1.00 0.00 C ATOM 0 H ALA A 131 -4.567 -7.916 8.352 1.00 0.00 H new ATOM 0 HA ALA A 131 -5.286 -10.080 10.084 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -4.456 -8.528 11.838 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -3.329 -8.615 10.464 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.407 -7.211 10.643 1.00 0.00 H new ATOM 1200 N TRP A 132 -7.100 -7.308 10.191 1.00 0.00 N ATOM 1201 CA TRP A 132 -8.396 -6.776 10.589 1.00 0.00 C ATOM 1202 C TRP A 132 -9.521 -7.516 9.863 1.00 0.00 C ATOM 1203 O TRP A 132 -10.560 -7.808 10.452 1.00 0.00 O ATOM 1204 CB TRP A 132 -8.456 -5.277 10.273 1.00 0.00 C ATOM 1205 CG TRP A 132 -9.880 -4.836 10.156 1.00 0.00 C ATOM 1206 CD1 TRP A 132 -10.615 -4.293 11.155 1.00 0.00 C ATOM 1207 CD2 TRP A 132 -10.750 -4.891 8.991 1.00 0.00 C ATOM 1208 NE1 TRP A 132 -11.882 -4.013 10.676 1.00 0.00 N ATOM 1209 CE2 TRP A 132 -12.014 -4.364 9.346 1.00 0.00 C ATOM 1210 CE3 TRP A 132 -10.566 -5.345 7.675 1.00 0.00 C ATOM 1211 CZ2 TRP A 132 -13.060 -4.290 8.425 1.00 0.00 C ATOM 1212 CZ3 TRP A 132 -11.616 -5.272 6.745 1.00 0.00 C ATOM 1213 CH2 TRP A 132 -12.860 -4.746 7.118 1.00 0.00 C ATOM 0 H TRP A 132 -6.489 -6.634 9.731 1.00 0.00 H new ATOM 0 HA TRP A 132 -8.526 -6.921 11.662 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -7.955 -4.711 11.058 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -7.925 -5.071 9.343 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -10.269 -4.109 12.161 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -12.627 -3.598 11.236 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -9.612 -5.753 7.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -14.016 -3.884 8.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -11.463 -5.624 5.735 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -13.663 -4.693 6.398 1.00 0.00 H new ATOM 1224 N LYS A 133 -9.304 -7.815 8.586 1.00 0.00 N ATOM 1225 CA LYS A 133 -10.310 -8.520 7.799 1.00 0.00 C ATOM 1226 C LYS A 133 -10.516 -9.937 8.328 1.00 0.00 C ATOM 1227 O LYS A 133 -11.639 -10.438 8.368 1.00 0.00 O ATOM 1228 CB LYS A 133 -9.881 -8.582 6.334 1.00 0.00 C ATOM 1229 CG LYS A 133 -10.955 -9.307 5.518 1.00 0.00 C ATOM 1230 CD LYS A 133 -10.846 -8.895 4.051 1.00 0.00 C ATOM 1231 CE LYS A 133 -9.525 -9.404 3.471 1.00 0.00 C ATOM 1232 NZ LYS A 133 -9.394 -10.864 3.736 1.00 0.00 N ATOM 0 H LYS A 133 -8.450 -7.583 8.078 1.00 0.00 H new ATOM 0 HA LYS A 133 -11.250 -7.974 7.881 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -9.731 -7.575 5.945 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -8.928 -9.103 6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -10.833 -10.386 5.614 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -11.945 -9.063 5.903 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -11.684 -9.302 3.485 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -10.899 -7.810 3.963 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -9.490 -9.214 2.398 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -8.689 -8.866 3.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -8.880 -11.314 2.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -8.871 -11.010 4.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -10.340 -11.288 3.818 1.00 0.00 H new ATOM 1246 N SER A 134 -9.422 -10.579 8.728 1.00 0.00 N ATOM 1247 CA SER A 134 -9.496 -11.940 9.249 1.00 0.00 C ATOM 1248 C SER A 134 -10.225 -11.962 10.588 1.00 0.00 C ATOM 1249 O SER A 134 -10.943 -12.912 10.901 1.00 0.00 O ATOM 1250 CB SER A 134 -8.087 -12.507 9.424 1.00 0.00 C ATOM 1251 OG SER A 134 -8.176 -13.864 9.838 1.00 0.00 O ATOM 0 H SER A 134 -8.482 -10.183 8.702 1.00 0.00 H new ATOM 0 HA SER A 134 -10.049 -12.553 8.537 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.535 -12.436 8.487 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.537 -11.924 10.163 1.00 0.00 H new ATOM 0 HG SER A 134 -7.275 -14.232 9.950 1.00 0.00 H new ATOM 1257 N LYS A 135 -10.033 -10.909 11.375 1.00 0.00 N ATOM 1258 CA LYS A 135 -10.675 -10.814 12.681 1.00 0.00 C ATOM 1259 C LYS A 135 -12.100 -10.284 12.541 1.00 0.00 C ATOM 1260 O LYS A 135 -12.949 -10.525 13.399 1.00 0.00 O ATOM 1261 CB LYS A 135 -9.866 -9.883 13.588 1.00 0.00 C ATOM 1262 CG LYS A 135 -8.627 -10.620 14.101 1.00 0.00 C ATOM 1263 CD LYS A 135 -7.713 -9.642 14.851 1.00 0.00 C ATOM 1264 CE LYS A 135 -6.772 -8.946 13.862 1.00 0.00 C ATOM 1265 NZ LYS A 135 -5.839 -8.056 14.608 1.00 0.00 N ATOM 0 H LYS A 135 -9.442 -10.114 11.134 1.00 0.00 H new ATOM 0 HA LYS A 135 -10.715 -11.810 13.123 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -9.569 -8.990 13.038 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -10.479 -9.552 14.427 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -8.925 -11.434 14.762 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -8.088 -11.068 13.266 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -8.314 -8.901 15.378 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -7.133 -10.176 15.604 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -6.209 -9.688 13.295 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -7.348 -8.365 13.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -5.200 -7.583 13.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -6.384 -7.341 15.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -5.280 -8.622 15.278 1.00 0.00 H new