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= -0.25 USER MOD Single : A 65 GLN : amide:sc= -0.993! K(o=-0.99!,f=0) USER MOD Single : A 66 MET CE :methyl 131:sc= -0.135 (180deg=-1.18) USER MOD Single : A 68 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.171) USER MOD Single : A 70 MET CE :methyl 150:sc= -0.883 (180deg=-1.79) 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 -150:sc= 0.997 USER MOD Single : A 95 SER OG : rot 180:sc= -0.0127 USER MOD Single : A 96 LYS NZ :NH3+ -163:sc=-0.00322 (180deg=-0.11) USER MOD Single : A 98 LYS NZ :NH3+ 149:sc= -0.198 (180deg=-0.96) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 83:sc= 0.444 USER MOD Single : A 107 ASN : amide:sc= -0.0543 X(o=-0.054,f=-0.3) USER MOD Single : A 108 THR OG1 : rot -67:sc= 0.991 USER MOD Single : A 109 SER OG : rot 180:sc= -0.564! USER MOD Single : A 110 CYS SG : rot -45:sc= 0.187! USER MOD Single : A 118 CYS SG : rot -160:sc= -0.0384 USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 HIS : no HE2:sc= -1.72 K(o=-1.7,f=-2.6!) USER MOD Single : A 133 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.161) 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 -11.818 -2.229 -5.161 1.00 0.00 N ATOM 79 CA THR A 62 -12.189 -3.003 -3.980 1.00 0.00 C ATOM 80 C THR A 62 -10.950 -3.278 -3.126 1.00 0.00 C ATOM 81 O THR A 62 -9.844 -3.381 -3.655 1.00 0.00 O ATOM 82 CB THR A 62 -12.817 -4.332 -4.415 1.00 0.00 C ATOM 83 OG1 THR A 62 -11.825 -5.143 -5.027 1.00 0.00 O ATOM 84 CG2 THR A 62 -13.943 -4.062 -5.415 1.00 0.00 C ATOM 0 HA THR A 62 -12.909 -2.434 -3.392 1.00 0.00 H new ATOM 0 HB THR A 62 -13.222 -4.846 -3.543 1.00 0.00 H new ATOM 0 HG1 THR A 62 -12.224 -5.994 -5.305 1.00 0.00 H new ATOM 0 HG21 THR A 62 -14.389 -5.007 -5.724 1.00 0.00 H new ATOM 0 HG22 THR A 62 -14.704 -3.437 -4.947 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.539 -3.549 -6.288 1.00 0.00 H new ATOM 92 N PRO A 63 -11.103 -3.398 -1.829 1.00 0.00 N ATOM 93 CA PRO A 63 -9.955 -3.663 -0.914 1.00 0.00 C ATOM 94 C PRO A 63 -9.168 -4.902 -1.341 1.00 0.00 C ATOM 95 O PRO A 63 -7.941 -4.938 -1.243 1.00 0.00 O ATOM 96 CB PRO A 63 -10.602 -3.860 0.469 1.00 0.00 C ATOM 97 CG PRO A 63 -12.069 -4.013 0.221 1.00 0.00 C ATOM 98 CD PRO A 63 -12.370 -3.295 -1.092 1.00 0.00 C ATOM 0 HA PRO A 63 -9.232 -2.848 -0.920 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -10.197 -4.741 0.967 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.403 -3.007 1.118 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -12.343 -5.066 0.158 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -12.647 -3.582 1.039 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.190 -3.770 -1.632 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.656 -2.256 -0.927 1.00 0.00 H new ATOM 106 N GLU A 64 -9.886 -5.913 -1.820 1.00 0.00 N ATOM 107 CA GLU A 64 -9.247 -7.145 -2.265 1.00 0.00 C ATOM 108 C GLU A 64 -8.457 -6.896 -3.547 1.00 0.00 C ATOM 109 O GLU A 64 -7.353 -7.415 -3.718 1.00 0.00 O ATOM 110 CB GLU A 64 -10.303 -8.224 -2.513 1.00 0.00 C ATOM 111 CG GLU A 64 -9.615 -9.529 -2.915 1.00 0.00 C ATOM 112 CD GLU A 64 -10.628 -10.669 -2.927 1.00 0.00 C ATOM 113 OE1 GLU A 64 -11.616 -10.550 -3.631 1.00 0.00 O ATOM 114 OE2 GLU A 64 -10.399 -11.644 -2.230 1.00 0.00 O ATOM 0 H GLU A 64 -10.902 -5.904 -1.909 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.564 -7.484 -1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.900 -8.377 -1.614 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.987 -7.904 -3.299 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.163 -9.423 -3.901 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.809 -9.755 -2.217 1.00 0.00 H new ATOM 121 N GLN A 65 -9.028 -6.097 -4.441 1.00 0.00 N ATOM 122 CA GLN A 65 -8.369 -5.781 -5.702 1.00 0.00 C ATOM 123 C GLN A 65 -7.049 -5.064 -5.442 1.00 0.00 C ATOM 124 O GLN A 65 -5.991 -5.509 -5.889 1.00 0.00 O ATOM 125 CB GLN A 65 -9.276 -4.901 -6.563 1.00 0.00 C ATOM 126 CG GLN A 65 -8.604 -4.636 -7.911 1.00 0.00 C ATOM 127 CD GLN A 65 -9.558 -3.878 -8.828 1.00 0.00 C ATOM 128 OE1 GLN A 65 -9.286 -3.725 -10.019 1.00 0.00 O ATOM 129 NE2 GLN A 65 -10.668 -3.392 -8.340 1.00 0.00 N ATOM 0 H GLN A 65 -9.941 -5.659 -4.317 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.168 -6.712 -6.233 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.238 -5.391 -6.715 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.476 -3.958 -6.053 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.691 -4.059 -7.765 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.314 -5.579 -8.374 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.890 -3.520 -7.353 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.312 -2.884 -8.946 1.00 0.00 H new ATOM 138 N MET A 66 -7.115 -3.954 -4.713 1.00 0.00 N ATOM 139 CA MET A 66 -5.913 -3.191 -4.396 1.00 0.00 C ATOM 140 C MET A 66 -4.914 -4.069 -3.652 1.00 0.00 C ATOM 141 O MET A 66 -3.704 -3.948 -3.841 1.00 0.00 O ATOM 142 CB MET A 66 -6.272 -1.974 -3.536 1.00 0.00 C ATOM 143 CG MET A 66 -6.957 -2.437 -2.252 1.00 0.00 C ATOM 144 SD MET A 66 -7.383 -0.995 -1.242 1.00 0.00 S ATOM 145 CE MET A 66 -8.695 -0.340 -2.300 1.00 0.00 C ATOM 0 H MET A 66 -7.979 -3.566 -4.334 1.00 0.00 H new ATOM 0 HA MET A 66 -5.462 -2.849 -5.328 1.00 0.00 H new ATOM 0 HB2 MET A 66 -5.372 -1.408 -3.296 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.931 -1.306 -4.091 1.00 0.00 H new ATOM 0 HG2 MET A 66 -7.856 -3.005 -2.491 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.298 -3.103 -1.695 1.00 0.00 H new ATOM 0 HE1 MET A 66 -9.576 -0.124 -1.696 1.00 0.00 H new ATOM 0 HE2 MET A 66 -8.351 0.576 -2.781 1.00 0.00 H new ATOM 0 HE3 MET A 66 -8.950 -1.077 -3.062 1.00 0.00 H new ATOM 155 N ALA A 67 -5.431 -4.959 -2.809 1.00 0.00 N ATOM 156 CA ALA A 67 -4.575 -5.857 -2.044 1.00 0.00 C ATOM 157 C ALA A 67 -3.781 -6.754 -2.985 1.00 0.00 C ATOM 158 O ALA A 67 -2.605 -7.036 -2.750 1.00 0.00 O ATOM 159 CB ALA A 67 -5.424 -6.719 -1.108 1.00 0.00 C ATOM 0 H ALA A 67 -6.430 -5.076 -2.640 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.882 -5.259 -1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.776 -7.387 -0.541 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.974 -6.076 -0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.128 -7.309 -1.695 1.00 0.00 H new ATOM 165 N LYS A 68 -4.433 -7.195 -4.054 1.00 0.00 N ATOM 166 CA LYS A 68 -3.784 -8.057 -5.033 1.00 0.00 C ATOM 167 C LYS A 68 -2.701 -7.291 -5.789 1.00 0.00 C ATOM 168 O LYS A 68 -1.581 -7.775 -5.948 1.00 0.00 O ATOM 169 CB LYS A 68 -4.822 -8.587 -6.025 1.00 0.00 C ATOM 170 CG LYS A 68 -5.637 -9.703 -5.367 1.00 0.00 C ATOM 171 CD LYS A 68 -6.656 -10.252 -6.369 1.00 0.00 C ATOM 172 CE LYS A 68 -7.287 -11.528 -5.810 1.00 0.00 C ATOM 173 NZ LYS A 68 -6.318 -12.655 -5.930 1.00 0.00 N ATOM 0 H LYS A 68 -5.406 -6.971 -4.264 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.321 -8.892 -4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.482 -7.780 -6.343 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.326 -8.964 -6.919 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.975 -10.501 -5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.149 -9.321 -4.484 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.428 -9.507 -6.563 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.169 -10.462 -7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.564 -11.382 -4.766 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.203 -11.762 -6.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.822 -13.559 -5.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.857 -12.619 -6.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.597 -12.574 -5.184 1.00 0.00 H new ATOM 187 N GLU A 69 -3.045 -6.092 -6.253 1.00 0.00 N ATOM 188 CA GLU A 69 -2.097 -5.264 -6.992 1.00 0.00 C ATOM 189 C GLU A 69 -0.930 -4.855 -6.099 1.00 0.00 C ATOM 190 O GLU A 69 0.216 -4.799 -6.544 1.00 0.00 O ATOM 191 CB GLU A 69 -2.799 -4.012 -7.521 1.00 0.00 C ATOM 192 CG GLU A 69 -3.979 -4.421 -8.406 1.00 0.00 C ATOM 193 CD GLU A 69 -3.469 -5.058 -9.694 1.00 0.00 C ATOM 194 OE1 GLU A 69 -2.295 -4.900 -9.985 1.00 0.00 O ATOM 195 OE2 GLU A 69 -4.261 -5.693 -10.372 1.00 0.00 O ATOM 0 H GLU A 69 -3.968 -5.674 -6.131 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.712 -5.847 -7.829 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.150 -3.401 -6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.098 -3.403 -8.091 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.619 -5.124 -7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.589 -3.548 -8.639 1.00 0.00 H new ATOM 202 N MET A 70 -1.227 -4.577 -4.837 1.00 0.00 N ATOM 203 CA MET A 70 -0.189 -4.181 -3.894 1.00 0.00 C ATOM 204 C MET A 70 0.704 -5.374 -3.567 1.00 0.00 C ATOM 205 O MET A 70 1.911 -5.347 -3.812 1.00 0.00 O ATOM 206 CB MET A 70 -0.825 -3.651 -2.606 1.00 0.00 C ATOM 207 CG MET A 70 -1.309 -2.213 -2.816 1.00 0.00 C ATOM 208 SD MET A 70 -1.703 -1.471 -1.211 1.00 0.00 S ATOM 209 CE MET A 70 -3.379 -2.137 -1.042 1.00 0.00 C ATOM 0 H MET A 70 -2.168 -4.617 -4.445 1.00 0.00 H new ATOM 0 HA MET A 70 0.414 -3.395 -4.348 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.661 -4.286 -2.315 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.101 -3.685 -1.792 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.539 -1.628 -3.320 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.189 -2.204 -3.459 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.612 -2.273 0.014 1.00 0.00 H new ATOM 0 HE2 MET A 70 -4.093 -1.442 -1.484 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.442 -3.097 -1.554 1.00 0.00 H new ATOM 219 N SER A 71 0.101 -6.416 -3.008 1.00 0.00 N ATOM 220 CA SER A 71 0.842 -7.615 -2.640 1.00 0.00 C ATOM 221 C SER A 71 1.808 -8.029 -3.749 1.00 0.00 C ATOM 222 O SER A 71 2.996 -8.230 -3.499 1.00 0.00 O ATOM 223 CB SER A 71 -0.129 -8.761 -2.353 1.00 0.00 C ATOM 224 OG SER A 71 0.573 -9.995 -2.396 1.00 0.00 O ATOM 0 H SER A 71 -0.897 -6.455 -2.800 1.00 0.00 H new ATOM 0 HA SER A 71 1.421 -7.391 -1.744 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.590 -8.626 -1.374 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.935 -8.762 -3.087 1.00 0.00 H new ATOM 0 HG SER A 71 -0.047 -10.731 -2.211 1.00 0.00 H new ATOM 230 N GLU A 72 1.296 -8.164 -4.970 1.00 0.00 N ATOM 231 CA GLU A 72 2.141 -8.565 -6.090 1.00 0.00 C ATOM 232 C GLU A 72 3.208 -7.506 -6.367 1.00 0.00 C ATOM 233 O GLU A 72 4.355 -7.838 -6.666 1.00 0.00 O ATOM 234 CB GLU A 72 1.294 -8.798 -7.344 1.00 0.00 C ATOM 235 CG GLU A 72 0.752 -7.467 -7.860 1.00 0.00 C ATOM 236 CD GLU A 72 -0.257 -7.710 -8.977 1.00 0.00 C ATOM 237 OE1 GLU A 72 -0.708 -8.837 -9.105 1.00 0.00 O ATOM 238 OE2 GLU A 72 -0.563 -6.768 -9.687 1.00 0.00 O ATOM 0 H GLU A 72 0.317 -8.005 -5.206 1.00 0.00 H new ATOM 0 HA GLU A 72 2.638 -9.498 -5.824 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.895 -9.279 -8.115 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.469 -9.473 -7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.280 -6.918 -7.046 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.572 -6.850 -8.228 1.00 0.00 H new ATOM 245 N PHE A 73 2.831 -6.233 -6.263 1.00 0.00 N ATOM 246 CA PHE A 73 3.782 -5.151 -6.504 1.00 0.00 C ATOM 247 C PHE A 73 5.033 -5.339 -5.647 1.00 0.00 C ATOM 248 O PHE A 73 6.151 -5.094 -6.102 1.00 0.00 O ATOM 249 CB PHE A 73 3.134 -3.796 -6.181 1.00 0.00 C ATOM 250 CG PHE A 73 2.891 -3.017 -7.457 1.00 0.00 C ATOM 251 CD1 PHE A 73 2.112 -3.572 -8.478 1.00 0.00 C ATOM 252 CD2 PHE A 73 3.444 -1.739 -7.614 1.00 0.00 C ATOM 253 CE1 PHE A 73 1.885 -2.850 -9.657 1.00 0.00 C ATOM 254 CE2 PHE A 73 3.218 -1.019 -8.793 1.00 0.00 C ATOM 255 CZ PHE A 73 2.438 -1.574 -9.815 1.00 0.00 C ATOM 0 H PHE A 73 1.889 -5.929 -6.017 1.00 0.00 H new ATOM 0 HA PHE A 73 4.068 -5.171 -7.556 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.192 -3.951 -5.656 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.780 -3.225 -5.515 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.686 -4.557 -8.357 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.044 -1.310 -6.826 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.283 -3.278 -10.445 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.646 -0.035 -8.915 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.263 -1.018 -10.724 1.00 0.00 H new ATOM 265 N LEU A 74 4.838 -5.768 -4.404 1.00 0.00 N ATOM 266 CA LEU A 74 5.964 -5.981 -3.498 1.00 0.00 C ATOM 267 C LEU A 74 6.658 -7.304 -3.804 1.00 0.00 C ATOM 268 O LEU A 74 7.883 -7.405 -3.730 1.00 0.00 O ATOM 269 CB LEU A 74 5.483 -5.984 -2.044 1.00 0.00 C ATOM 270 CG LEU A 74 4.513 -4.823 -1.814 1.00 0.00 C ATOM 271 CD1 LEU A 74 4.240 -4.678 -0.316 1.00 0.00 C ATOM 272 CD2 LEU A 74 5.127 -3.525 -2.346 1.00 0.00 C ATOM 0 H LEU A 74 3.923 -5.973 -4.003 1.00 0.00 H new ATOM 0 HA LEU A 74 6.673 -5.166 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.992 -6.930 -1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.335 -5.897 -1.370 1.00 0.00 H new ATOM 0 HG LEU A 74 3.579 -5.023 -2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.549 -3.851 -0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.801 -5.600 0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.176 -4.479 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.434 -2.700 -2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.062 -3.324 -1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.323 -3.626 -3.413 1.00 0.00 H new ATOM 284 N SER A 75 5.867 -8.318 -4.139 1.00 0.00 N ATOM 285 CA SER A 75 6.412 -9.634 -4.446 1.00 0.00 C ATOM 286 C SER A 75 7.270 -9.591 -5.708 1.00 0.00 C ATOM 287 O SER A 75 8.239 -10.338 -5.833 1.00 0.00 O ATOM 288 CB SER A 75 5.267 -10.636 -4.628 1.00 0.00 C ATOM 289 OG SER A 75 5.256 -11.106 -5.971 1.00 0.00 O ATOM 0 H SER A 75 4.851 -8.254 -4.204 1.00 0.00 H new ATOM 0 HA SER A 75 7.044 -9.948 -3.615 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.389 -11.472 -3.940 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.314 -10.163 -4.389 1.00 0.00 H new ATOM 0 HG SER A 75 4.525 -11.748 -6.087 1.00 0.00 H new ATOM 295 N ARG A 76 6.910 -8.715 -6.645 1.00 0.00 N ATOM 296 CA ARG A 76 7.661 -8.597 -7.890 1.00 0.00 C ATOM 297 C ARG A 76 8.720 -7.505 -7.783 1.00 0.00 C ATOM 298 O ARG A 76 9.789 -7.599 -8.387 1.00 0.00 O ATOM 299 CB ARG A 76 6.717 -8.286 -9.048 1.00 0.00 C ATOM 300 CG ARG A 76 5.974 -6.976 -8.780 1.00 0.00 C ATOM 301 CD ARG A 76 6.382 -5.926 -9.817 1.00 0.00 C ATOM 302 NE ARG A 76 5.587 -4.716 -9.656 1.00 0.00 N ATOM 303 CZ ARG A 76 5.443 -3.851 -10.656 1.00 0.00 C ATOM 304 NH1 ARG A 76 6.016 -4.082 -11.806 1.00 0.00 N ATOM 305 NH2 ARG A 76 4.729 -2.773 -10.487 1.00 0.00 N ATOM 0 H ARG A 76 6.112 -8.084 -6.566 1.00 0.00 H new ATOM 0 HA ARG A 76 8.159 -9.548 -8.077 1.00 0.00 H new ATOM 0 HB2 ARG A 76 7.281 -8.210 -9.978 1.00 0.00 H new ATOM 0 HB3 ARG A 76 6.003 -9.100 -9.174 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.898 -7.143 -8.822 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.202 -6.617 -7.776 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.441 -5.690 -9.708 1.00 0.00 H new ATOM 0 HD3 ARG A 76 6.247 -6.326 -10.822 1.00 0.00 H new ATOM 0 HE ARG A 76 5.133 -4.529 -8.762 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.574 -4.926 -11.937 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.906 -3.419 -12.573 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.281 -2.594 -9.588 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.618 -2.109 -11.254 1.00 0.00 H new ATOM 526 N TYR A 92 10.072 8.682 5.270 1.00 0.00 N ATOM 527 CA TYR A 92 9.047 9.233 4.387 1.00 0.00 C ATOM 528 C TYR A 92 7.660 8.808 4.857 1.00 0.00 C ATOM 529 O TYR A 92 7.295 7.635 4.768 1.00 0.00 O ATOM 530 CB TYR A 92 9.274 8.733 2.955 1.00 0.00 C ATOM 531 CG TYR A 92 10.241 9.646 2.238 1.00 0.00 C ATOM 532 CD1 TYR A 92 9.796 10.869 1.721 1.00 0.00 C ATOM 533 CD2 TYR A 92 11.580 9.270 2.085 1.00 0.00 C ATOM 534 CE1 TYR A 92 10.691 11.713 1.053 1.00 0.00 C ATOM 535 CE2 TYR A 92 12.475 10.114 1.419 1.00 0.00 C ATOM 536 CZ TYR A 92 12.030 11.336 0.901 1.00 0.00 C ATOM 537 OH TYR A 92 12.911 12.169 0.243 1.00 0.00 O ATOM 0 HA TYR A 92 9.113 10.321 4.410 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.666 7.716 2.974 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.326 8.699 2.418 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.763 11.161 1.838 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.923 8.326 2.482 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.348 12.656 0.654 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.509 9.823 1.305 1.00 0.00 H new ATOM 0 HH TYR A 92 13.606 11.632 -0.192 1.00 0.00 H new ATOM 547 N ASP A 93 6.887 9.770 5.351 1.00 0.00 N ATOM 548 CA ASP A 93 5.537 9.484 5.824 1.00 0.00 C ATOM 549 C ASP A 93 4.518 9.855 4.752 1.00 0.00 C ATOM 550 O ASP A 93 4.105 11.011 4.649 1.00 0.00 O ATOM 551 CB ASP A 93 5.251 10.276 7.100 1.00 0.00 C ATOM 552 CG ASP A 93 6.139 9.775 8.235 1.00 0.00 C ATOM 553 OD1 ASP A 93 7.144 9.148 7.941 1.00 0.00 O ATOM 554 OD2 ASP A 93 5.801 10.024 9.381 1.00 0.00 O ATOM 0 H ASP A 93 7.169 10.747 5.434 1.00 0.00 H new ATOM 0 HA ASP A 93 5.459 8.418 6.038 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.431 11.337 6.927 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.201 10.172 7.375 1.00 0.00 H new ATOM 559 N LEU A 94 4.121 8.870 3.953 1.00 0.00 N ATOM 560 CA LEU A 94 3.154 9.105 2.887 1.00 0.00 C ATOM 561 C LEU A 94 1.752 8.706 3.336 1.00 0.00 C ATOM 562 O LEU A 94 0.915 8.316 2.520 1.00 0.00 O ATOM 563 CB LEU A 94 3.539 8.300 1.642 1.00 0.00 C ATOM 564 CG LEU A 94 5.053 8.375 1.422 1.00 0.00 C ATOM 565 CD1 LEU A 94 5.429 7.565 0.176 1.00 0.00 C ATOM 566 CD2 LEU A 94 5.469 9.835 1.221 1.00 0.00 C ATOM 0 H LEU A 94 4.451 7.907 4.022 1.00 0.00 H new ATOM 0 HA LEU A 94 3.159 10.169 2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.231 7.261 1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.016 8.691 0.769 1.00 0.00 H new ATOM 0 HG LEU A 94 5.566 7.966 2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.506 7.618 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.133 6.525 0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.915 7.975 -0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.546 9.888 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.955 10.243 0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.202 10.414 2.105 1.00 0.00 H new ATOM 578 N SER A 95 1.502 8.805 4.638 1.00 0.00 N ATOM 579 CA SER A 95 0.196 8.449 5.184 1.00 0.00 C ATOM 580 C SER A 95 -0.880 9.401 4.668 1.00 0.00 C ATOM 581 O SER A 95 -2.070 9.092 4.722 1.00 0.00 O ATOM 582 CB SER A 95 0.237 8.504 6.711 1.00 0.00 C ATOM 583 OG SER A 95 -1.091 8.585 7.213 1.00 0.00 O ATOM 0 H SER A 95 2.180 9.126 5.330 1.00 0.00 H new ATOM 0 HA SER A 95 -0.047 7.436 4.862 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.734 7.618 7.105 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.816 9.367 7.040 1.00 0.00 H new ATOM 0 HG SER A 95 -1.069 8.619 8.192 1.00 0.00 H new ATOM 589 N LYS A 96 -0.454 10.556 4.171 1.00 0.00 N ATOM 590 CA LYS A 96 -1.391 11.546 3.649 1.00 0.00 C ATOM 591 C LYS A 96 -1.681 11.284 2.174 1.00 0.00 C ATOM 592 O LYS A 96 -2.602 11.865 1.599 1.00 0.00 O ATOM 593 CB LYS A 96 -0.807 12.954 3.811 1.00 0.00 C ATOM 594 CG LYS A 96 -0.509 13.225 5.292 1.00 0.00 C ATOM 595 CD LYS A 96 -1.756 13.798 5.981 1.00 0.00 C ATOM 596 CE LYS A 96 -1.792 15.318 5.805 1.00 0.00 C ATOM 597 NZ LYS A 96 -0.827 15.951 6.749 1.00 0.00 N ATOM 0 H LYS A 96 0.527 10.830 4.118 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.322 11.469 4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.106 13.049 3.223 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.510 13.695 3.430 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.203 12.302 5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.321 13.926 5.382 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -2.655 13.352 5.556 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.746 13.545 7.041 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.539 15.582 4.778 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -2.798 15.693 5.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.046 16.963 6.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.901 15.493 7.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.140 15.839 6.384 1.00 0.00 H new ATOM 611 N TRP A 97 -0.889 10.407 1.569 1.00 0.00 N ATOM 612 CA TRP A 97 -1.065 10.074 0.160 1.00 0.00 C ATOM 613 C TRP A 97 -2.206 9.075 -0.015 1.00 0.00 C ATOM 614 O TRP A 97 -2.550 8.343 0.914 1.00 0.00 O ATOM 615 CB TRP A 97 0.226 9.476 -0.402 1.00 0.00 C ATOM 616 CG TRP A 97 1.301 10.517 -0.415 1.00 0.00 C ATOM 617 CD1 TRP A 97 1.713 11.223 0.663 1.00 0.00 C ATOM 618 CD2 TRP A 97 2.104 10.978 -1.539 1.00 0.00 C ATOM 619 NE1 TRP A 97 2.720 12.087 0.272 1.00 0.00 N ATOM 620 CE2 TRP A 97 2.996 11.974 -1.076 1.00 0.00 C ATOM 621 CE3 TRP A 97 2.146 10.633 -2.902 1.00 0.00 C ATOM 622 CZ2 TRP A 97 3.898 12.605 -1.933 1.00 0.00 C ATOM 623 CZ3 TRP A 97 3.052 11.267 -3.768 1.00 0.00 C ATOM 624 CH2 TRP A 97 3.927 12.249 -3.284 1.00 0.00 C ATOM 0 H TRP A 97 -0.122 9.916 2.029 1.00 0.00 H new ATOM 0 HA TRP A 97 -1.308 10.988 -0.382 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.538 8.625 0.204 1.00 0.00 H new ATOM 0 HB3 TRP A 97 0.056 9.103 -1.412 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.320 11.128 1.664 1.00 0.00 H new ATOM 0 HE1 TRP A 97 3.200 12.729 0.903 1.00 0.00 H new ATOM 0 HE3 TRP A 97 1.478 9.876 -3.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 4.569 13.363 -1.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 3.075 10.996 -4.813 1.00 0.00 H new ATOM 0 HH2 TRP A 97 4.623 12.730 -3.955 1.00 0.00 H new ATOM 635 N LYS A 98 -2.784 9.047 -1.212 1.00 0.00 N ATOM 636 CA LYS A 98 -3.883 8.132 -1.502 1.00 0.00 C ATOM 637 C LYS A 98 -3.385 6.943 -2.319 1.00 0.00 C ATOM 638 O LYS A 98 -2.387 7.042 -3.030 1.00 0.00 O ATOM 639 CB LYS A 98 -4.984 8.861 -2.277 1.00 0.00 C ATOM 640 CG LYS A 98 -5.232 10.233 -1.649 1.00 0.00 C ATOM 641 CD LYS A 98 -5.632 10.061 -0.180 1.00 0.00 C ATOM 642 CE LYS A 98 -6.274 11.352 0.331 1.00 0.00 C ATOM 643 NZ LYS A 98 -7.539 11.607 -0.414 1.00 0.00 N ATOM 0 H LYS A 98 -2.512 9.644 -1.993 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.287 7.769 -0.557 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.693 8.975 -3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.902 8.273 -2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.333 10.846 -1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.019 10.756 -2.192 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.330 9.230 -0.078 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.755 9.816 0.420 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.478 11.271 1.399 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.588 12.189 0.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.212 12.104 0.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.338 12.194 -1.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.951 10.702 -0.718 1.00 0.00 H new ATOM 657 N TYR A 99 -4.090 5.822 -2.210 1.00 0.00 N ATOM 658 CA TYR A 99 -3.714 4.618 -2.943 1.00 0.00 C ATOM 659 C TYR A 99 -3.348 4.954 -4.387 1.00 0.00 C ATOM 660 O TYR A 99 -2.363 4.444 -4.922 1.00 0.00 O ATOM 661 CB TYR A 99 -4.875 3.617 -2.923 1.00 0.00 C ATOM 662 CG TYR A 99 -4.579 2.475 -3.868 1.00 0.00 C ATOM 663 CD1 TYR A 99 -3.479 1.643 -3.634 1.00 0.00 C ATOM 664 CD2 TYR A 99 -5.407 2.248 -4.975 1.00 0.00 C ATOM 665 CE1 TYR A 99 -3.205 0.583 -4.509 1.00 0.00 C ATOM 666 CE2 TYR A 99 -5.132 1.188 -5.848 1.00 0.00 C ATOM 667 CZ TYR A 99 -4.031 0.356 -5.615 1.00 0.00 C ATOM 668 OH TYR A 99 -3.760 -0.687 -6.476 1.00 0.00 O ATOM 0 H TYR A 99 -4.920 5.722 -1.625 1.00 0.00 H new ATOM 0 HA TYR A 99 -2.842 4.177 -2.459 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.022 3.237 -1.912 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -5.801 4.113 -3.215 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.841 1.817 -2.780 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.257 2.890 -5.155 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.355 -0.059 -4.329 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -5.770 1.012 -6.702 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.431 -0.705 -7.190 1.00 0.00 H new ATOM 678 N ALA A 100 -4.149 5.811 -5.010 1.00 0.00 N ATOM 679 CA ALA A 100 -3.908 6.204 -6.394 1.00 0.00 C ATOM 680 C ALA A 100 -2.631 7.032 -6.512 1.00 0.00 C ATOM 681 O ALA A 100 -1.878 6.896 -7.475 1.00 0.00 O ATOM 682 CB ALA A 100 -5.093 7.016 -6.920 1.00 0.00 C ATOM 0 H ALA A 100 -4.967 6.245 -4.582 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.792 5.298 -6.989 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.905 7.306 -7.954 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.999 6.411 -6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.221 7.910 -6.310 1.00 0.00 H new ATOM 688 N GLU A 101 -2.398 7.891 -5.527 1.00 0.00 N ATOM 689 CA GLU A 101 -1.211 8.739 -5.536 1.00 0.00 C ATOM 690 C GLU A 101 0.049 7.899 -5.361 1.00 0.00 C ATOM 691 O GLU A 101 1.030 8.082 -6.079 1.00 0.00 O ATOM 692 CB GLU A 101 -1.300 9.772 -4.409 1.00 0.00 C ATOM 693 CG GLU A 101 -2.573 10.611 -4.578 1.00 0.00 C ATOM 694 CD GLU A 101 -2.327 11.744 -5.570 1.00 0.00 C ATOM 695 OE1 GLU A 101 -1.510 12.599 -5.270 1.00 0.00 O ATOM 696 OE2 GLU A 101 -2.959 11.739 -6.612 1.00 0.00 O ATOM 0 H GLU A 101 -3.008 8.019 -4.719 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.160 9.252 -6.496 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.309 9.270 -3.442 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.422 10.418 -4.424 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.389 9.980 -4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.879 11.020 -3.615 1.00 0.00 H new ATOM 703 N LEU A 102 0.011 6.978 -4.405 1.00 0.00 N ATOM 704 CA LEU A 102 1.156 6.114 -4.143 1.00 0.00 C ATOM 705 C LEU A 102 1.494 5.278 -5.374 1.00 0.00 C ATOM 706 O LEU A 102 2.574 5.416 -5.955 1.00 0.00 O ATOM 707 CB LEU A 102 0.847 5.190 -2.964 1.00 0.00 C ATOM 708 CG LEU A 102 0.662 6.019 -1.688 1.00 0.00 C ATOM 709 CD1 LEU A 102 0.038 5.143 -0.600 1.00 0.00 C ATOM 710 CD2 LEU A 102 2.019 6.547 -1.203 1.00 0.00 C ATOM 0 H LEU A 102 -0.794 6.811 -3.802 1.00 0.00 H new ATOM 0 HA LEU A 102 2.014 6.741 -3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.056 4.614 -3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.658 4.474 -2.829 1.00 0.00 H new ATOM 0 HG LEU A 102 0.007 6.863 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.095 5.730 0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.931 4.776 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.694 4.298 -0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.878 7.135 -0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.682 5.708 -0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.463 7.174 -1.976 1.00 0.00 H new ATOM 722 N ARG A 103 0.568 4.408 -5.769 1.00 0.00 N ATOM 723 CA ARG A 103 0.784 3.555 -6.931 1.00 0.00 C ATOM 724 C ARG A 103 1.213 4.388 -8.135 1.00 0.00 C ATOM 725 O ARG A 103 2.070 3.976 -8.920 1.00 0.00 O ATOM 726 CB ARG A 103 -0.497 2.785 -7.263 1.00 0.00 C ATOM 727 CG ARG A 103 -1.556 3.752 -7.794 1.00 0.00 C ATOM 728 CD ARG A 103 -2.907 3.038 -7.877 1.00 0.00 C ATOM 729 NE ARG A 103 -3.793 3.742 -8.797 1.00 0.00 N ATOM 730 CZ ARG A 103 -4.885 3.157 -9.282 1.00 0.00 C ATOM 731 NH1 ARG A 103 -5.178 1.933 -8.936 1.00 0.00 N ATOM 732 NH2 ARG A 103 -5.662 3.808 -10.103 1.00 0.00 N ATOM 0 H ARG A 103 -0.331 4.277 -5.305 1.00 0.00 H new ATOM 0 HA ARG A 103 1.578 2.846 -6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.288 2.015 -8.006 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -0.868 2.277 -6.373 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.632 4.620 -7.139 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.266 4.120 -8.778 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.764 2.011 -8.213 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.362 2.989 -6.888 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.572 4.699 -9.073 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.570 1.425 -8.294 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -6.015 1.484 -9.308 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.432 4.765 -10.372 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -6.499 3.361 -10.476 1.00 0.00 H new ATOM 746 N ASP A 104 0.614 5.565 -8.275 1.00 0.00 N ATOM 747 CA ASP A 104 0.944 6.448 -9.386 1.00 0.00 C ATOM 748 C ASP A 104 2.395 6.906 -9.293 1.00 0.00 C ATOM 749 O ASP A 104 3.167 6.759 -10.239 1.00 0.00 O ATOM 750 CB ASP A 104 0.021 7.665 -9.378 1.00 0.00 C ATOM 751 CG ASP A 104 0.473 8.674 -10.428 1.00 0.00 C ATOM 752 OD1 ASP A 104 0.556 8.298 -11.585 1.00 0.00 O ATOM 753 OD2 ASP A 104 0.731 9.808 -10.059 1.00 0.00 O ATOM 0 H ASP A 104 -0.096 5.927 -7.639 1.00 0.00 H new ATOM 0 HA ASP A 104 0.808 5.897 -10.316 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -1.004 7.354 -9.579 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.026 8.128 -8.391 1.00 0.00 H new ATOM 758 N THR A 105 2.759 7.464 -8.144 1.00 0.00 N ATOM 759 CA THR A 105 4.119 7.946 -7.939 1.00 0.00 C ATOM 760 C THR A 105 5.137 6.897 -8.372 1.00 0.00 C ATOM 761 O THR A 105 5.975 7.155 -9.236 1.00 0.00 O ATOM 762 CB THR A 105 4.337 8.295 -6.464 1.00 0.00 C ATOM 763 OG1 THR A 105 3.183 8.952 -5.959 1.00 0.00 O ATOM 764 CG2 THR A 105 5.549 9.220 -6.329 1.00 0.00 C ATOM 0 H THR A 105 2.137 7.593 -7.346 1.00 0.00 H new ATOM 0 HA THR A 105 4.258 8.840 -8.547 1.00 0.00 H new ATOM 0 HB THR A 105 4.514 7.381 -5.898 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.510 8.285 -5.708 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.703 9.467 -5.279 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.435 8.718 -6.717 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.373 10.135 -6.895 1.00 0.00 H new ATOM 772 N ILE A 106 5.067 5.714 -7.768 1.00 0.00 N ATOM 773 CA ILE A 106 6.002 4.646 -8.108 1.00 0.00 C ATOM 774 C ILE A 106 5.891 4.274 -9.582 1.00 0.00 C ATOM 775 O ILE A 106 6.871 3.855 -10.199 1.00 0.00 O ATOM 776 CB ILE A 106 5.734 3.414 -7.245 1.00 0.00 C ATOM 777 CG1 ILE A 106 4.322 2.896 -7.510 1.00 0.00 C ATOM 778 CG2 ILE A 106 5.862 3.789 -5.770 1.00 0.00 C ATOM 779 CD1 ILE A 106 4.052 1.690 -6.610 1.00 0.00 C ATOM 0 H ILE A 106 4.383 5.473 -7.051 1.00 0.00 H new ATOM 0 HA ILE A 106 7.012 5.008 -7.916 1.00 0.00 H new ATOM 0 HB ILE A 106 6.458 2.638 -7.493 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.591 3.681 -7.315 1.00 0.00 H new ATOM 0 HG13 ILE A 106 4.216 2.614 -8.558 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.671 2.911 -5.153 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.869 4.158 -5.574 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.138 4.567 -5.528 1.00 0.00 H new ATOM 0 HD11 ILE A 106 3.045 1.316 -6.795 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.776 0.905 -6.827 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.142 1.988 -5.565 1.00 0.00 H new ATOM 791 N ASN A 107 4.695 4.421 -10.142 1.00 0.00 N ATOM 792 CA ASN A 107 4.482 4.088 -11.545 1.00 0.00 C ATOM 793 C ASN A 107 5.202 5.082 -12.456 1.00 0.00 C ATOM 794 O ASN A 107 5.601 4.736 -13.568 1.00 0.00 O ATOM 795 CB ASN A 107 2.982 4.093 -11.850 1.00 0.00 C ATOM 796 CG ASN A 107 2.422 2.674 -11.787 1.00 0.00 C ATOM 797 OD1 ASN A 107 2.915 1.780 -12.477 1.00 0.00 O ATOM 798 ND2 ASN A 107 1.417 2.412 -10.997 1.00 0.00 N ATOM 0 H ASN A 107 3.868 4.764 -9.653 1.00 0.00 H new ATOM 0 HA ASN A 107 4.890 3.095 -11.733 1.00 0.00 H new ATOM 0 HB2 ASN A 107 2.461 4.729 -11.134 1.00 0.00 H new ATOM 0 HB3 ASN A 107 2.807 4.516 -12.839 1.00 0.00 H new ATOM 0 HD21 ASN A 107 1.038 1.466 -10.950 1.00 0.00 H new ATOM 0 HD22 ASN A 107 1.010 3.153 -10.426 1.00 0.00 H new ATOM 805 N THR A 108 5.361 6.318 -11.985 1.00 0.00 N ATOM 806 CA THR A 108 6.034 7.347 -12.778 1.00 0.00 C ATOM 807 C THR A 108 7.084 8.079 -11.947 1.00 0.00 C ATOM 808 O THR A 108 7.184 9.306 -11.999 1.00 0.00 O ATOM 809 CB THR A 108 5.009 8.355 -13.309 1.00 0.00 C ATOM 810 OG1 THR A 108 5.690 9.492 -13.820 1.00 0.00 O ATOM 811 CG2 THR A 108 4.068 8.787 -12.179 1.00 0.00 C ATOM 0 H THR A 108 5.037 6.629 -11.069 1.00 0.00 H new ATOM 0 HA THR A 108 6.532 6.856 -13.614 1.00 0.00 H new ATOM 0 HB THR A 108 4.424 7.890 -14.102 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.121 9.973 -13.083 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.342 9.503 -12.564 1.00 0.00 H new ATOM 0 HG22 THR A 108 3.544 7.915 -11.788 1.00 0.00 H new ATOM 0 HG23 THR A 108 4.647 9.251 -11.380 1.00 0.00 H new ATOM 819 N SER A 109 7.872 7.320 -11.189 1.00 0.00 N ATOM 820 CA SER A 109 8.922 7.906 -10.357 1.00 0.00 C ATOM 821 C SER A 109 10.263 7.243 -10.646 1.00 0.00 C ATOM 822 O SER A 109 10.340 6.287 -11.420 1.00 0.00 O ATOM 823 CB SER A 109 8.579 7.736 -8.878 1.00 0.00 C ATOM 824 OG SER A 109 9.743 7.973 -8.096 1.00 0.00 O ATOM 0 H SER A 109 7.805 6.304 -11.133 1.00 0.00 H new ATOM 0 HA SER A 109 8.992 8.968 -10.592 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.788 8.430 -8.594 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.201 6.730 -8.694 1.00 0.00 H new ATOM 0 HG SER A 109 9.526 7.866 -7.146 1.00 0.00 H new ATOM 830 N CYS A 110 11.319 7.755 -10.022 1.00 0.00 N ATOM 831 CA CYS A 110 12.655 7.204 -10.223 1.00 0.00 C ATOM 832 C CYS A 110 13.516 7.420 -8.983 1.00 0.00 C ATOM 833 O CYS A 110 14.744 7.437 -9.064 1.00 0.00 O ATOM 834 CB CYS A 110 13.319 7.869 -11.430 1.00 0.00 C ATOM 835 SG CYS A 110 14.893 7.046 -11.780 1.00 0.00 S ATOM 0 H CYS A 110 11.277 8.545 -9.378 1.00 0.00 H new ATOM 0 HA CYS A 110 12.562 6.133 -10.405 1.00 0.00 H new ATOM 0 HB2 CYS A 110 12.663 7.809 -12.299 1.00 0.00 H new ATOM 0 HB3 CYS A 110 13.486 8.927 -11.230 1.00 0.00 H new ATOM 0 HG CYS A 110 15.540 6.856 -10.668 1.00 0.00 H new ATOM 841 N ASP A 111 12.864 7.578 -7.834 1.00 0.00 N ATOM 842 CA ASP A 111 13.580 7.785 -6.580 1.00 0.00 C ATOM 843 C ASP A 111 13.611 6.488 -5.776 1.00 0.00 C ATOM 844 O ASP A 111 12.606 5.790 -5.669 1.00 0.00 O ATOM 845 CB ASP A 111 12.898 8.894 -5.767 1.00 0.00 C ATOM 846 CG ASP A 111 13.564 10.238 -6.047 1.00 0.00 C ATOM 847 OD1 ASP A 111 14.664 10.445 -5.561 1.00 0.00 O ATOM 848 OD2 ASP A 111 12.964 11.042 -6.742 1.00 0.00 O ATOM 0 H ASP A 111 11.848 7.567 -7.746 1.00 0.00 H new ATOM 0 HA ASP A 111 14.604 8.086 -6.800 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.840 8.944 -6.023 1.00 0.00 H new ATOM 0 HB3 ASP A 111 12.958 8.665 -4.703 1.00 0.00 H new ATOM 853 N ILE A 112 14.775 6.166 -5.227 1.00 0.00 N ATOM 854 CA ILE A 112 14.927 4.941 -4.450 1.00 0.00 C ATOM 855 C ILE A 112 14.190 5.041 -3.118 1.00 0.00 C ATOM 856 O ILE A 112 13.242 4.298 -2.864 1.00 0.00 O ATOM 857 CB ILE A 112 16.411 4.675 -4.193 1.00 0.00 C ATOM 858 CG1 ILE A 112 17.170 4.653 -5.532 1.00 0.00 C ATOM 859 CG2 ILE A 112 16.575 3.335 -3.472 1.00 0.00 C ATOM 860 CD1 ILE A 112 17.106 3.256 -6.156 1.00 0.00 C ATOM 0 H ILE A 112 15.622 6.730 -5.304 1.00 0.00 H new ATOM 0 HA ILE A 112 14.496 4.119 -5.022 1.00 0.00 H new ATOM 0 HB ILE A 112 16.820 5.467 -3.566 1.00 0.00 H new ATOM 0 HG12 ILE A 112 16.737 5.384 -6.215 1.00 0.00 H new ATOM 0 HG13 ILE A 112 18.209 4.941 -5.374 1.00 0.00 H new ATOM 0 HG21 ILE A 112 17.633 3.147 -3.290 1.00 0.00 H new ATOM 0 HG22 ILE A 112 16.043 3.366 -2.521 1.00 0.00 H new ATOM 0 HG23 ILE A 112 16.166 2.536 -4.091 1.00 0.00 H new ATOM 0 HD11 ILE A 112 17.647 3.255 -7.102 1.00 0.00 H new ATOM 0 HD12 ILE A 112 17.560 2.533 -5.478 1.00 0.00 H new ATOM 0 HD13 ILE A 112 16.065 2.984 -6.333 1.00 0.00 H new ATOM 872 N GLU A 113 14.633 5.961 -2.268 1.00 0.00 N ATOM 873 CA GLU A 113 14.009 6.143 -0.962 1.00 0.00 C ATOM 874 C GLU A 113 12.496 6.282 -1.104 1.00 0.00 C ATOM 875 O GLU A 113 11.733 5.652 -0.371 1.00 0.00 O ATOM 876 CB GLU A 113 14.580 7.387 -0.276 1.00 0.00 C ATOM 877 CG GLU A 113 14.653 8.545 -1.275 1.00 0.00 C ATOM 878 CD GLU A 113 15.309 9.756 -0.621 1.00 0.00 C ATOM 879 OE1 GLU A 113 16.070 9.561 0.311 1.00 0.00 O ATOM 880 OE2 GLU A 113 15.041 10.861 -1.062 1.00 0.00 O ATOM 0 H GLU A 113 15.415 6.588 -2.457 1.00 0.00 H new ATOM 0 HA GLU A 113 14.224 5.265 -0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.954 7.665 0.572 1.00 0.00 H new ATOM 0 HB3 GLU A 113 15.573 7.172 0.118 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.222 8.243 -2.154 1.00 0.00 H new ATOM 0 HG3 GLU A 113 13.651 8.804 -1.618 1.00 0.00 H new ATOM 887 N LEU A 114 12.071 7.110 -2.050 1.00 0.00 N ATOM 888 CA LEU A 114 10.647 7.324 -2.284 1.00 0.00 C ATOM 889 C LEU A 114 9.957 5.998 -2.590 1.00 0.00 C ATOM 890 O LEU A 114 9.043 5.580 -1.876 1.00 0.00 O ATOM 891 CB LEU A 114 10.468 8.301 -3.458 1.00 0.00 C ATOM 892 CG LEU A 114 8.991 8.697 -3.646 1.00 0.00 C ATOM 893 CD1 LEU A 114 8.184 7.509 -4.186 1.00 0.00 C ATOM 894 CD2 LEU A 114 8.391 9.163 -2.314 1.00 0.00 C ATOM 0 H LEU A 114 12.687 7.642 -2.665 1.00 0.00 H new ATOM 0 HA LEU A 114 10.193 7.748 -1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 114 11.066 9.195 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 114 10.842 7.843 -4.374 1.00 0.00 H new ATOM 0 HG LEU A 114 8.944 9.515 -4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 114 7.143 7.804 -4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 114 8.593 7.198 -5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 114 8.242 6.679 -3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 114 7.347 9.440 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 114 8.452 8.355 -1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 114 8.946 10.026 -1.947 1.00 0.00 H new ATOM 906 N LEU A 115 10.405 5.337 -3.654 1.00 0.00 N ATOM 907 CA LEU A 115 9.831 4.055 -4.047 1.00 0.00 C ATOM 908 C LEU A 115 9.674 3.152 -2.826 1.00 0.00 C ATOM 909 O LEU A 115 8.620 2.552 -2.616 1.00 0.00 O ATOM 910 CB LEU A 115 10.741 3.369 -5.083 1.00 0.00 C ATOM 911 CG LEU A 115 10.280 3.667 -6.522 1.00 0.00 C ATOM 912 CD1 LEU A 115 9.121 2.739 -6.899 1.00 0.00 C ATOM 913 CD2 LEU A 115 9.834 5.130 -6.659 1.00 0.00 C ATOM 0 H LEU A 115 11.160 5.666 -4.256 1.00 0.00 H new ATOM 0 HA LEU A 115 8.850 4.231 -4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.768 3.711 -4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.739 2.292 -4.915 1.00 0.00 H new ATOM 0 HG LEU A 115 11.120 3.495 -7.195 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.799 2.954 -7.918 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.449 1.702 -6.834 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.289 2.900 -6.214 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.513 5.318 -7.683 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.006 5.323 -5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.667 5.789 -6.413 1.00 0.00 H new ATOM 925 N ALA A 116 10.731 3.060 -2.026 1.00 0.00 N ATOM 926 CA ALA A 116 10.702 2.226 -0.830 1.00 0.00 C ATOM 927 C ALA A 116 9.564 2.652 0.091 1.00 0.00 C ATOM 928 O ALA A 116 8.778 1.823 0.548 1.00 0.00 O ATOM 929 CB ALA A 116 12.032 2.340 -0.083 1.00 0.00 C ATOM 0 H ALA A 116 11.612 3.549 -2.182 1.00 0.00 H new ATOM 0 HA ALA A 116 10.542 1.192 -1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.003 1.714 0.809 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.843 2.009 -0.732 1.00 0.00 H new ATOM 0 HB3 ALA A 116 12.199 3.377 0.207 1.00 0.00 H new ATOM 935 N ALA A 117 9.483 3.951 0.357 1.00 0.00 N ATOM 936 CA ALA A 117 8.440 4.481 1.223 1.00 0.00 C ATOM 937 C ALA A 117 7.074 3.947 0.810 1.00 0.00 C ATOM 938 O ALA A 117 6.375 3.315 1.601 1.00 0.00 O ATOM 939 CB ALA A 117 8.440 6.009 1.151 1.00 0.00 C ATOM 0 H ALA A 117 10.124 4.652 -0.013 1.00 0.00 H new ATOM 0 HA ALA A 117 8.642 4.163 2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 117 7.658 6.404 1.800 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.408 6.389 1.477 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.253 6.325 0.125 1.00 0.00 H new ATOM 945 N CYS A 118 6.696 4.209 -0.438 1.00 0.00 N ATOM 946 CA CYS A 118 5.409 3.749 -0.948 1.00 0.00 C ATOM 947 C CYS A 118 5.224 2.258 -0.686 1.00 0.00 C ATOM 948 O CYS A 118 4.284 1.848 -0.003 1.00 0.00 O ATOM 949 CB CYS A 118 5.320 4.015 -2.450 1.00 0.00 C ATOM 950 SG CYS A 118 5.460 5.793 -2.758 1.00 0.00 S ATOM 0 H CYS A 118 7.257 4.733 -1.109 1.00 0.00 H new ATOM 0 HA CYS A 118 4.621 4.296 -0.430 1.00 0.00 H new ATOM 0 HB2 CYS A 118 6.114 3.481 -2.972 1.00 0.00 H new ATOM 0 HB3 CYS A 118 4.374 3.641 -2.841 1.00 0.00 H new ATOM 0 HG CYS A 118 4.977 6.069 -3.933 1.00 0.00 H new ATOM 956 N ARG A 119 6.122 1.449 -1.236 1.00 0.00 N ATOM 957 CA ARG A 119 6.047 0.004 -1.059 1.00 0.00 C ATOM 958 C ARG A 119 5.825 -0.347 0.409 1.00 0.00 C ATOM 959 O ARG A 119 4.998 -1.199 0.735 1.00 0.00 O ATOM 960 CB ARG A 119 7.338 -0.651 -1.560 1.00 0.00 C ATOM 961 CG ARG A 119 7.267 -0.839 -3.077 1.00 0.00 C ATOM 962 CD ARG A 119 8.591 -1.412 -3.584 1.00 0.00 C ATOM 963 NE ARG A 119 8.430 -1.938 -4.935 1.00 0.00 N ATOM 964 CZ ARG A 119 8.205 -1.129 -5.966 1.00 0.00 C ATOM 965 NH1 ARG A 119 8.127 0.159 -5.778 1.00 0.00 N ATOM 966 NH2 ARG A 119 8.064 -1.624 -7.165 1.00 0.00 N ATOM 0 H ARG A 119 6.906 1.767 -1.805 1.00 0.00 H new ATOM 0 HA ARG A 119 5.203 -0.372 -1.638 1.00 0.00 H new ATOM 0 HB2 ARG A 119 8.196 -0.031 -1.301 1.00 0.00 H new ATOM 0 HB3 ARG A 119 7.482 -1.614 -1.071 1.00 0.00 H new ATOM 0 HG2 ARG A 119 6.447 -1.510 -3.333 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.062 0.115 -3.563 1.00 0.00 H new ATOM 0 HD2 ARG A 119 9.357 -0.637 -3.577 1.00 0.00 H new ATOM 0 HD3 ARG A 119 8.932 -2.203 -2.916 1.00 0.00 H new ATOM 0 HE ARG A 119 8.491 -2.944 -5.092 1.00 0.00 H new ATOM 0 HH11 ARG A 119 8.239 0.545 -4.841 1.00 0.00 H new ATOM 0 HH12 ARG A 119 7.954 0.780 -6.568 1.00 0.00 H new ATOM 0 HH21 ARG A 119 8.126 -2.632 -7.311 1.00 0.00 H new ATOM 0 HH22 ARG A 119 7.891 -1.003 -7.956 1.00 0.00 H new ATOM 980 N GLU A 120 6.568 0.313 1.293 1.00 0.00 N ATOM 981 CA GLU A 120 6.439 0.056 2.723 1.00 0.00 C ATOM 982 C GLU A 120 5.021 0.362 3.197 1.00 0.00 C ATOM 983 O GLU A 120 4.416 -0.428 3.924 1.00 0.00 O ATOM 984 CB GLU A 120 7.439 0.909 3.506 1.00 0.00 C ATOM 985 CG GLU A 120 8.854 0.372 3.284 1.00 0.00 C ATOM 986 CD GLU A 120 9.051 -0.918 4.073 1.00 0.00 C ATOM 987 OE1 GLU A 120 8.148 -1.285 4.805 1.00 0.00 O ATOM 988 OE2 GLU A 120 10.105 -1.519 3.932 1.00 0.00 O ATOM 0 H GLU A 120 7.259 1.022 1.048 1.00 0.00 H new ATOM 0 HA GLU A 120 6.650 -0.998 2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.378 1.948 3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.195 0.891 4.568 1.00 0.00 H new ATOM 0 HG2 GLU A 120 9.020 0.188 2.223 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.587 1.115 3.597 1.00 0.00 H new ATOM 995 N GLU A 121 4.493 1.511 2.783 1.00 0.00 N ATOM 996 CA GLU A 121 3.145 1.897 3.177 1.00 0.00 C ATOM 997 C GLU A 121 2.163 0.779 2.848 1.00 0.00 C ATOM 998 O GLU A 121 1.345 0.395 3.685 1.00 0.00 O ATOM 999 CB GLU A 121 2.731 3.187 2.454 1.00 0.00 C ATOM 1000 CG GLU A 121 3.086 4.403 3.316 1.00 0.00 C ATOM 1001 CD GLU A 121 4.598 4.497 3.489 1.00 0.00 C ATOM 1002 OE1 GLU A 121 5.139 3.708 4.246 1.00 0.00 O ATOM 1003 OE2 GLU A 121 5.193 5.359 2.862 1.00 0.00 O ATOM 0 H GLU A 121 4.972 2.182 2.183 1.00 0.00 H new ATOM 0 HA GLU A 121 3.132 2.075 4.252 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.237 3.253 1.491 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.660 3.174 2.252 1.00 0.00 H new ATOM 0 HG2 GLU A 121 2.708 5.313 2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.605 4.321 4.291 1.00 0.00 H new ATOM 1010 N PHE A 122 2.251 0.251 1.630 1.00 0.00 N ATOM 1011 CA PHE A 122 1.363 -0.831 1.223 1.00 0.00 C ATOM 1012 C PHE A 122 1.522 -2.019 2.166 1.00 0.00 C ATOM 1013 O PHE A 122 0.563 -2.446 2.801 1.00 0.00 O ATOM 1014 CB PHE A 122 1.677 -1.282 -0.210 1.00 0.00 C ATOM 1015 CG PHE A 122 1.397 -0.176 -1.209 1.00 0.00 C ATOM 1016 CD1 PHE A 122 0.305 0.695 -1.041 1.00 0.00 C ATOM 1017 CD2 PHE A 122 2.230 -0.034 -2.325 1.00 0.00 C ATOM 1018 CE1 PHE A 122 0.058 1.697 -1.987 1.00 0.00 C ATOM 1019 CE2 PHE A 122 1.981 0.971 -3.267 1.00 0.00 C ATOM 1020 CZ PHE A 122 0.896 1.834 -3.099 1.00 0.00 C ATOM 0 H PHE A 122 2.918 0.550 0.918 1.00 0.00 H new ATOM 0 HA PHE A 122 0.338 -0.462 1.263 1.00 0.00 H new ATOM 0 HB2 PHE A 122 2.723 -1.581 -0.279 1.00 0.00 H new ATOM 0 HB3 PHE A 122 1.078 -2.159 -0.457 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -0.342 0.591 -0.183 1.00 0.00 H new ATOM 0 HD2 PHE A 122 3.068 -0.702 -2.460 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.781 2.365 -1.858 1.00 0.00 H new ATOM 0 HE2 PHE A 122 2.629 1.079 -4.125 1.00 0.00 H new ATOM 0 HZ PHE A 122 0.704 2.608 -3.828 1.00 0.00 H new ATOM 1030 N HIS A 123 2.740 -2.545 2.250 1.00 0.00 N ATOM 1031 CA HIS A 123 3.017 -3.684 3.118 1.00 0.00 C ATOM 1032 C HIS A 123 2.257 -3.553 4.433 1.00 0.00 C ATOM 1033 O HIS A 123 1.630 -4.506 4.897 1.00 0.00 O ATOM 1034 CB HIS A 123 4.517 -3.770 3.403 1.00 0.00 C ATOM 1035 CG HIS A 123 4.785 -4.889 4.372 1.00 0.00 C ATOM 1036 ND1 HIS A 123 4.319 -6.177 4.162 1.00 0.00 N ATOM 1037 CD2 HIS A 123 5.466 -4.926 5.564 1.00 0.00 C ATOM 1038 CE1 HIS A 123 4.724 -6.930 5.202 1.00 0.00 C ATOM 1039 NE2 HIS A 123 5.427 -6.216 6.085 1.00 0.00 N ATOM 0 H HIS A 123 3.548 -2.202 1.730 1.00 0.00 H new ATOM 0 HA HIS A 123 2.690 -4.591 2.610 1.00 0.00 H new ATOM 0 HB2 HIS A 123 5.064 -3.940 2.476 1.00 0.00 H new ATOM 0 HB3 HIS A 123 4.874 -2.826 3.815 1.00 0.00 H new ATOM 0 HD2 HIS A 123 5.957 -4.083 6.027 1.00 0.00 H new ATOM 0 HE1 HIS A 123 4.507 -7.983 5.309 1.00 0.00 H new ATOM 0 HE2 HIS A 123 5.846 -6.545 6.955 1.00 0.00 H new ATOM 1047 N ARG A 124 2.317 -2.368 5.027 1.00 0.00 N ATOM 1048 CA ARG A 124 1.632 -2.124 6.288 1.00 0.00 C ATOM 1049 C ARG A 124 0.123 -2.293 6.126 1.00 0.00 C ATOM 1050 O ARG A 124 -0.497 -3.105 6.810 1.00 0.00 O ATOM 1051 CB ARG A 124 1.940 -0.711 6.787 1.00 0.00 C ATOM 1052 CG ARG A 124 3.371 -0.657 7.325 1.00 0.00 C ATOM 1053 CD ARG A 124 3.819 0.801 7.447 1.00 0.00 C ATOM 1054 NE ARG A 124 2.728 1.626 7.954 1.00 0.00 N ATOM 1055 CZ ARG A 124 2.357 1.567 9.230 1.00 0.00 C ATOM 1056 NH1 ARG A 124 2.964 0.752 10.050 1.00 0.00 N ATOM 1057 NH2 ARG A 124 1.384 2.321 9.661 1.00 0.00 N ATOM 0 H ARG A 124 2.829 -1.567 4.659 1.00 0.00 H new ATOM 0 HA ARG A 124 1.989 -2.852 7.017 1.00 0.00 H new ATOM 0 HB2 ARG A 124 1.819 0.007 5.976 1.00 0.00 H new ATOM 0 HB3 ARG A 124 1.236 -0.429 7.570 1.00 0.00 H new ATOM 0 HG2 ARG A 124 3.423 -1.147 8.297 1.00 0.00 H new ATOM 0 HG3 ARG A 124 4.042 -1.199 6.658 1.00 0.00 H new ATOM 0 HD2 ARG A 124 4.677 0.870 8.116 1.00 0.00 H new ATOM 0 HD3 ARG A 124 4.142 1.172 6.474 1.00 0.00 H new ATOM 0 HE ARG A 124 2.241 2.259 7.319 1.00 0.00 H new ATOM 0 HH11 ARG A 124 3.723 0.160 9.712 1.00 0.00 H new ATOM 0 HH12 ARG A 124 2.679 0.707 11.028 1.00 0.00 H new ATOM 0 HH21 ARG A 124 0.908 2.955 9.020 1.00 0.00 H new ATOM 0 HH22 ARG A 124 1.099 2.276 10.639 1.00 0.00 H new ATOM 1071 N ARG A 125 -0.458 -1.516 5.218 1.00 0.00 N ATOM 1072 CA ARG A 125 -1.896 -1.579 4.974 1.00 0.00 C ATOM 1073 C ARG A 125 -2.335 -3.008 4.658 1.00 0.00 C ATOM 1074 O ARG A 125 -3.443 -3.415 5.009 1.00 0.00 O ATOM 1075 CB ARG A 125 -2.265 -0.651 3.810 1.00 0.00 C ATOM 1076 CG ARG A 125 -2.608 0.746 4.348 1.00 0.00 C ATOM 1077 CD ARG A 125 -2.419 1.796 3.245 1.00 0.00 C ATOM 1078 NE ARG A 125 -1.129 2.457 3.400 1.00 0.00 N ATOM 1079 CZ ARG A 125 -0.882 3.243 4.442 1.00 0.00 C ATOM 1080 NH1 ARG A 125 -1.801 3.432 5.348 1.00 0.00 N ATOM 1081 NH2 ARG A 125 0.280 3.826 4.559 1.00 0.00 N ATOM 0 H ARG A 125 0.041 -0.838 4.641 1.00 0.00 H new ATOM 0 HA ARG A 125 -2.413 -1.254 5.877 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.435 -0.586 3.107 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -3.115 -1.059 3.263 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -3.638 0.764 4.706 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -1.970 0.983 5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -2.478 1.321 2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -3.222 2.532 3.291 1.00 0.00 H new ATOM 0 HE ARG A 125 -0.404 2.314 2.697 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -2.709 2.976 5.256 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -1.612 4.035 6.148 1.00 0.00 H new ATOM 0 HH21 ARG A 125 0.998 3.678 3.850 1.00 0.00 H new ATOM 0 HH22 ARG A 125 0.470 4.430 5.359 1.00 0.00 H new ATOM 1095 N LEU A 126 -1.468 -3.766 3.995 1.00 0.00 N ATOM 1096 CA LEU A 126 -1.792 -5.145 3.643 1.00 0.00 C ATOM 1097 C LEU A 126 -1.891 -5.999 4.904 1.00 0.00 C ATOM 1098 O LEU A 126 -2.869 -6.719 5.102 1.00 0.00 O ATOM 1099 CB LEU A 126 -0.718 -5.721 2.704 1.00 0.00 C ATOM 1100 CG LEU A 126 -1.123 -5.529 1.232 1.00 0.00 C ATOM 1101 CD1 LEU A 126 -2.429 -6.282 0.937 1.00 0.00 C ATOM 1102 CD2 LEU A 126 -1.306 -4.036 0.931 1.00 0.00 C ATOM 0 H LEU A 126 -0.545 -3.454 3.693 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.753 -5.157 3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.237 -5.230 2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.577 -6.782 2.912 1.00 0.00 H new ATOM 0 HG LEU A 126 -0.333 -5.930 0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.704 -6.138 -0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -2.288 -7.345 1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.223 -5.898 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.593 -3.908 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.086 -3.628 1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -0.370 -3.510 1.117 1.00 0.00 H new ATOM 1114 N LYS A 127 -0.873 -5.911 5.753 1.00 0.00 N ATOM 1115 CA LYS A 127 -0.862 -6.679 6.993 1.00 0.00 C ATOM 1116 C LYS A 127 -2.104 -6.363 7.822 1.00 0.00 C ATOM 1117 O LYS A 127 -2.819 -7.268 8.256 1.00 0.00 O ATOM 1118 CB LYS A 127 0.395 -6.346 7.802 1.00 0.00 C ATOM 1119 CG LYS A 127 1.599 -7.107 7.230 1.00 0.00 C ATOM 1120 CD LYS A 127 1.679 -8.507 7.853 1.00 0.00 C ATOM 1121 CE LYS A 127 2.448 -8.443 9.175 1.00 0.00 C ATOM 1122 NZ LYS A 127 2.531 -9.807 9.768 1.00 0.00 N ATOM 0 H LYS A 127 -0.053 -5.322 5.608 1.00 0.00 H new ATOM 0 HA LYS A 127 -0.861 -7.741 6.746 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.584 -5.273 7.772 1.00 0.00 H new ATOM 0 HB3 LYS A 127 0.247 -6.615 8.848 1.00 0.00 H new ATOM 0 HG2 LYS A 127 1.508 -7.187 6.147 1.00 0.00 H new ATOM 0 HG3 LYS A 127 2.518 -6.556 7.433 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.676 -8.897 8.024 1.00 0.00 H new ATOM 0 HD3 LYS A 127 2.175 -9.193 7.166 1.00 0.00 H new ATOM 0 HE2 LYS A 127 3.449 -8.047 9.007 1.00 0.00 H new ATOM 0 HE3 LYS A 127 1.948 -7.764 9.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 3.053 -9.764 10.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 1.572 -10.169 9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 3.026 -10.442 9.110 1.00 0.00 H new ATOM 1136 N VAL A 128 -2.354 -5.076 8.034 1.00 0.00 N ATOM 1137 CA VAL A 128 -3.514 -4.650 8.808 1.00 0.00 C ATOM 1138 C VAL A 128 -4.802 -5.067 8.110 1.00 0.00 C ATOM 1139 O VAL A 128 -5.747 -5.528 8.750 1.00 0.00 O ATOM 1140 CB VAL A 128 -3.497 -3.130 8.982 1.00 0.00 C ATOM 1141 CG1 VAL A 128 -4.682 -2.704 9.853 1.00 0.00 C ATOM 1142 CG2 VAL A 128 -2.190 -2.706 9.658 1.00 0.00 C ATOM 0 H VAL A 128 -1.774 -4.314 7.684 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.470 -5.128 9.787 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.572 -2.652 8.005 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -4.671 -1.621 9.978 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -5.613 -3.005 9.373 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -4.606 -3.183 10.829 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.179 -1.623 9.781 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.114 -3.183 10.635 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -1.345 -3.009 9.039 1.00 0.00 H new ATOM 1152 N TYR A 129 -4.831 -4.903 6.792 1.00 0.00 N ATOM 1153 CA TYR A 129 -6.005 -5.268 6.007 1.00 0.00 C ATOM 1154 C TYR A 129 -6.281 -6.764 6.137 1.00 0.00 C ATOM 1155 O TYR A 129 -7.434 -7.190 6.220 1.00 0.00 O ATOM 1156 CB TYR A 129 -5.771 -4.899 4.538 1.00 0.00 C ATOM 1157 CG TYR A 129 -6.782 -5.598 3.655 1.00 0.00 C ATOM 1158 CD1 TYR A 129 -8.149 -5.348 3.821 1.00 0.00 C ATOM 1159 CD2 TYR A 129 -6.350 -6.493 2.667 1.00 0.00 C ATOM 1160 CE1 TYR A 129 -9.084 -5.991 3.000 1.00 0.00 C ATOM 1161 CE2 TYR A 129 -7.284 -7.135 1.846 1.00 0.00 C ATOM 1162 CZ TYR A 129 -8.651 -6.884 2.012 1.00 0.00 C ATOM 1163 OH TYR A 129 -9.572 -7.517 1.204 1.00 0.00 O ATOM 0 H TYR A 129 -4.058 -4.521 6.246 1.00 0.00 H new ATOM 0 HA TYR A 129 -6.872 -4.723 6.381 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.850 -3.819 4.410 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -4.761 -5.182 4.241 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.483 -4.659 4.583 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -5.295 -6.687 2.539 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -10.139 -5.798 3.129 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -6.950 -7.824 1.084 1.00 0.00 H new ATOM 0 HH TYR A 129 -9.105 -8.102 0.571 1.00 0.00 H new ATOM 1173 N HIS A 130 -5.213 -7.555 6.159 1.00 0.00 N ATOM 1174 CA HIS A 130 -5.346 -9.001 6.280 1.00 0.00 C ATOM 1175 C HIS A 130 -5.737 -9.385 7.704 1.00 0.00 C ATOM 1176 O HIS A 130 -6.374 -10.414 7.926 1.00 0.00 O ATOM 1177 CB HIS A 130 -4.023 -9.676 5.913 1.00 0.00 C ATOM 1178 CG HIS A 130 -3.830 -9.627 4.422 1.00 0.00 C ATOM 1179 ND1 HIS A 130 -4.757 -10.155 3.540 1.00 0.00 N ATOM 1180 CD2 HIS A 130 -2.819 -9.117 3.645 1.00 0.00 C ATOM 1181 CE1 HIS A 130 -4.291 -9.953 2.293 1.00 0.00 C ATOM 1182 NE2 HIS A 130 -3.113 -9.324 2.300 1.00 0.00 N ATOM 0 H HIS A 130 -4.251 -7.221 6.095 1.00 0.00 H new ATOM 0 HA HIS A 130 -6.128 -9.336 5.598 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -3.195 -9.174 6.414 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -4.023 -10.711 6.256 1.00 0.00 H new ATOM 0 HD1 HIS A 130 -5.633 -10.614 3.789 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -1.931 -8.630 4.020 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -4.807 -10.262 1.396 1.00 0.00 H new ATOM 1190 N ALA A 131 -5.354 -8.549 8.663 1.00 0.00 N ATOM 1191 CA ALA A 131 -5.673 -8.811 10.062 1.00 0.00 C ATOM 1192 C ALA A 131 -7.133 -8.475 10.340 1.00 0.00 C ATOM 1193 O ALA A 131 -7.893 -9.313 10.825 1.00 0.00 O ATOM 1194 CB ALA A 131 -4.772 -7.972 10.970 1.00 0.00 C ATOM 0 H ALA A 131 -4.827 -7.691 8.500 1.00 0.00 H new ATOM 0 HA ALA A 131 -5.505 -9.868 10.266 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.017 -8.174 12.013 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -3.729 -8.230 10.786 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.927 -6.914 10.759 1.00 0.00 H new ATOM 1200 N TRP A 132 -7.517 -7.245 10.023 1.00 0.00 N ATOM 1201 CA TRP A 132 -8.888 -6.804 10.234 1.00 0.00 C ATOM 1202 C TRP A 132 -9.849 -7.665 9.417 1.00 0.00 C ATOM 1203 O TRP A 132 -10.961 -7.955 9.856 1.00 0.00 O ATOM 1204 CB TRP A 132 -9.019 -5.329 9.835 1.00 0.00 C ATOM 1205 CG TRP A 132 -10.451 -4.996 9.562 1.00 0.00 C ATOM 1206 CD1 TRP A 132 -11.327 -4.513 10.471 1.00 0.00 C ATOM 1207 CD2 TRP A 132 -11.182 -5.111 8.310 1.00 0.00 C ATOM 1208 NE1 TRP A 132 -12.551 -4.323 9.855 1.00 0.00 N ATOM 1209 CE2 TRP A 132 -12.512 -4.679 8.522 1.00 0.00 C ATOM 1210 CE3 TRP A 132 -10.821 -5.546 7.021 1.00 0.00 C ATOM 1211 CZ2 TRP A 132 -13.452 -4.677 7.491 1.00 0.00 C ATOM 1212 CZ3 TRP A 132 -11.767 -5.545 5.983 1.00 0.00 C ATOM 1213 CH2 TRP A 132 -13.079 -5.111 6.218 1.00 0.00 C ATOM 0 H TRP A 132 -6.901 -6.539 9.621 1.00 0.00 H new ATOM 0 HA TRP A 132 -9.143 -6.911 11.288 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -8.635 -4.693 10.633 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -8.416 -5.129 8.950 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -11.107 -4.309 11.509 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -13.380 -3.964 10.328 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -9.813 -5.882 6.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -14.462 -4.342 7.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -11.482 -5.881 4.997 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -13.801 -5.112 5.415 1.00 0.00 H new ATOM 1224 N LYS A 133 -9.412 -8.073 8.228 1.00 0.00 N ATOM 1225 CA LYS A 133 -10.242 -8.905 7.365 1.00 0.00 C ATOM 1226 C LYS A 133 -10.351 -10.317 7.933 1.00 0.00 C ATOM 1227 O LYS A 133 -11.423 -10.922 7.916 1.00 0.00 O ATOM 1228 CB LYS A 133 -9.637 -8.956 5.957 1.00 0.00 C ATOM 1229 CG LYS A 133 -10.525 -9.794 5.024 1.00 0.00 C ATOM 1230 CD LYS A 133 -11.676 -8.934 4.482 1.00 0.00 C ATOM 1231 CE LYS A 133 -12.931 -9.793 4.320 1.00 0.00 C ATOM 1232 NZ LYS A 133 -12.657 -10.902 3.363 1.00 0.00 N ATOM 0 H LYS A 133 -8.496 -7.843 7.844 1.00 0.00 H new ATOM 0 HA LYS A 133 -11.240 -8.471 7.314 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -9.534 -7.946 5.561 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -8.636 -9.385 5.999 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -9.931 -10.185 4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -10.925 -10.653 5.563 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -11.876 -8.106 5.163 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -11.396 -8.498 3.523 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -13.234 -10.199 5.285 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -13.758 -9.182 3.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -13.552 -11.360 3.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -12.197 -10.520 2.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -12.031 -11.601 3.811 1.00 0.00 H new ATOM 1246 N SER A 134 -9.236 -10.836 8.435 1.00 0.00 N ATOM 1247 CA SER A 134 -9.220 -12.180 9.004 1.00 0.00 C ATOM 1248 C SER A 134 -10.076 -12.237 10.265 1.00 0.00 C ATOM 1249 O SER A 134 -10.621 -13.285 10.611 1.00 0.00 O ATOM 1250 CB SER A 134 -7.787 -12.585 9.346 1.00 0.00 C ATOM 1251 OG SER A 134 -7.785 -13.910 9.860 1.00 0.00 O ATOM 0 H SER A 134 -8.338 -10.352 8.460 1.00 0.00 H new ATOM 0 HA SER A 134 -9.628 -12.871 8.266 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.158 -12.526 8.458 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.367 -11.897 10.080 1.00 0.00 H new ATOM 0 HG SER A 134 -6.867 -14.174 10.079 1.00 0.00 H new ATOM 1257 N LYS A 135 -10.182 -11.105 10.950 1.00 0.00 N ATOM 1258 CA LYS A 135 -10.966 -11.032 12.177 1.00 0.00 C ATOM 1259 C LYS A 135 -12.415 -10.660 11.871 1.00 0.00 C ATOM 1260 O LYS A 135 -13.338 -11.102 12.557 1.00 0.00 O ATOM 1261 CB LYS A 135 -10.353 -9.991 13.117 1.00 0.00 C ATOM 1262 CG LYS A 135 -9.124 -10.590 13.809 1.00 0.00 C ATOM 1263 CD LYS A 135 -8.417 -9.511 14.638 1.00 0.00 C ATOM 1264 CE LYS A 135 -7.504 -8.671 13.738 1.00 0.00 C ATOM 1265 NZ LYS A 135 -6.626 -7.815 14.586 1.00 0.00 N ATOM 0 H LYS A 135 -9.737 -10.228 10.678 1.00 0.00 H new ATOM 0 HA LYS A 135 -10.954 -12.011 12.656 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -10.070 -9.100 12.556 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -11.087 -9.680 13.860 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -9.425 -11.417 14.452 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -8.439 -10.997 13.065 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -9.155 -8.870 15.120 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -7.831 -9.976 15.431 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -6.898 -9.321 13.108 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -8.103 -8.050 13.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -6.005 -7.244 13.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -7.214 -7.185 15.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -6.046 -8.418 15.204 1.00 0.00 H new