USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 453 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 SER OG : rot -16:sc= -0.531 USER MOD Set 1.2: A 123 MET CE :methyl -132:sc= -0.406 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.79 USER MOD Single : A 97 MET CE :methyl -150:sc= -0.179 (180deg=-0.791) USER MOD Single : A 102 MET CE :methyl 151:sc= -0.647 (180deg=-0.856) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 HIS : no HE2:sc= -5.17! C(o=-5.2!,f=-6.7!) USER MOD Single : A 118 GLN : amide:sc= -0.0778 K(o=-0.078,f=-0.88) USER MOD Single : A 120 SER OG : rot 78:sc= 0.278 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0.038 USER MOD Single : A 134 MET CE :methyl -152:sc= -0.044 (180deg=-0.551) USER MOD Single : A 135 CYS SG : rot 70:sc= 0.016 USER MOD Single : A 136 THR OG1 : rot -60:sc= 1.76 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 87 11.597 0.193 12.538 1.00 0.00 N ATOM 109 CA TRP A 87 11.424 -0.165 11.135 1.00 0.00 C ATOM 110 C TRP A 87 12.382 0.625 10.250 1.00 0.00 C ATOM 111 O TRP A 87 12.827 1.713 10.616 1.00 0.00 O ATOM 112 CB TRP A 87 9.980 0.087 10.697 1.00 0.00 C ATOM 113 CG TRP A 87 9.046 -1.028 11.060 1.00 0.00 C ATOM 114 CD1 TRP A 87 8.700 -1.430 12.318 1.00 0.00 C ATOM 115 CD2 TRP A 87 8.341 -1.884 10.154 1.00 0.00 C ATOM 116 NE1 TRP A 87 7.822 -2.485 12.249 1.00 0.00 N ATOM 117 CE2 TRP A 87 7.586 -2.782 10.933 1.00 0.00 C ATOM 118 CE3 TRP A 87 8.274 -1.978 8.761 1.00 0.00 C ATOM 119 CZ2 TRP A 87 6.775 -3.760 10.363 1.00 0.00 C ATOM 120 CZ3 TRP A 87 7.469 -2.950 8.198 1.00 0.00 C ATOM 121 CH2 TRP A 87 6.728 -3.830 8.998 1.00 0.00 C ATOM 0 HA TRP A 87 11.649 -1.226 11.026 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.626 1.011 11.153 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.956 0.235 9.617 1.00 0.00 H new ATOM 0 HD1 TRP A 87 9.063 -0.985 13.233 1.00 0.00 H new ATOM 0 HE1 TRP A 87 7.412 -2.968 13.048 1.00 0.00 H new ATOM 0 HE3 TRP A 87 8.841 -1.304 8.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 6.203 -4.440 10.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 7.410 -3.033 7.123 1.00 0.00 H new ATOM 0 HH2 TRP A 87 6.108 -4.578 8.527 1.00 0.00 H new ATOM 132 N VAL A 88 12.695 0.071 9.082 1.00 0.00 N ATOM 133 CA VAL A 88 13.599 0.726 8.144 1.00 0.00 C ATOM 134 C VAL A 88 12.832 1.344 6.981 1.00 0.00 C ATOM 135 O VAL A 88 11.901 0.740 6.449 1.00 0.00 O ATOM 136 CB VAL A 88 14.643 -0.262 7.589 1.00 0.00 C ATOM 137 CG1 VAL A 88 15.503 -0.818 8.713 1.00 0.00 C ATOM 138 CG2 VAL A 88 13.959 -1.385 6.824 1.00 0.00 C ATOM 0 H VAL A 88 12.336 -0.829 8.763 1.00 0.00 H new ATOM 0 HA VAL A 88 14.112 1.514 8.696 1.00 0.00 H new ATOM 0 HB VAL A 88 15.294 0.274 6.898 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.234 -1.514 8.302 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.022 -0.000 9.213 1.00 0.00 H new ATOM 0 HG13 VAL A 88 14.870 -1.339 9.431 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.711 -2.074 6.439 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.284 -1.921 7.491 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.391 -0.966 5.993 1.00 0.00 H new ATOM 148 N GLN A 89 13.229 2.551 6.592 1.00 0.00 N ATOM 149 CA GLN A 89 12.578 3.252 5.492 1.00 0.00 C ATOM 150 C GLN A 89 12.107 2.270 4.424 1.00 0.00 C ATOM 151 O GLN A 89 11.016 2.413 3.873 1.00 0.00 O ATOM 152 CB GLN A 89 13.532 4.275 4.875 1.00 0.00 C ATOM 153 CG GLN A 89 14.838 3.671 4.384 1.00 0.00 C ATOM 154 CD GLN A 89 15.609 4.608 3.475 1.00 0.00 C ATOM 155 OE1 GLN A 89 16.099 5.651 3.911 1.00 0.00 O ATOM 156 NE2 GLN A 89 15.722 4.241 2.204 1.00 0.00 N ATOM 0 H GLN A 89 13.998 3.064 7.022 1.00 0.00 H new ATOM 0 HA GLN A 89 11.707 3.773 5.891 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.033 4.768 4.041 1.00 0.00 H new ATOM 0 HB3 GLN A 89 13.753 5.045 5.614 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.458 3.411 5.241 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.627 2.744 3.850 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.300 3.369 1.886 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.231 4.832 1.546 1.00 0.00 H new ATOM 165 N ASP A 90 12.937 1.273 4.137 1.00 0.00 N ATOM 166 CA ASP A 90 12.606 0.266 3.136 1.00 0.00 C ATOM 167 C ASP A 90 11.315 -0.460 3.501 1.00 0.00 C ATOM 168 O ASP A 90 10.326 -0.392 2.772 1.00 0.00 O ATOM 169 CB ASP A 90 13.749 -0.740 2.996 1.00 0.00 C ATOM 170 CG ASP A 90 15.112 -0.079 3.052 1.00 0.00 C ATOM 171 OD1 ASP A 90 15.246 1.048 2.532 1.00 0.00 O ATOM 172 OD2 ASP A 90 16.045 -0.690 3.614 1.00 0.00 O ATOM 0 H ASP A 90 13.844 1.141 4.584 1.00 0.00 H new ATOM 0 HA ASP A 90 12.459 0.773 2.182 1.00 0.00 H new ATOM 0 HB2 ASP A 90 13.675 -1.482 3.791 1.00 0.00 H new ATOM 0 HB3 ASP A 90 13.646 -1.274 2.051 1.00 0.00 H new ATOM 177 N GLU A 91 11.332 -1.153 4.636 1.00 0.00 N ATOM 178 CA GLU A 91 10.163 -1.893 5.096 1.00 0.00 C ATOM 179 C GLU A 91 8.984 -0.953 5.334 1.00 0.00 C ATOM 180 O GLU A 91 7.863 -1.222 4.901 1.00 0.00 O ATOM 181 CB GLU A 91 10.488 -2.656 6.382 1.00 0.00 C ATOM 182 CG GLU A 91 11.524 -3.752 6.193 1.00 0.00 C ATOM 183 CD GLU A 91 11.518 -4.760 7.326 1.00 0.00 C ATOM 184 OE1 GLU A 91 11.538 -4.335 8.500 1.00 0.00 O ATOM 185 OE2 GLU A 91 11.494 -5.975 7.038 1.00 0.00 O ATOM 0 H GLU A 91 12.142 -1.217 5.253 1.00 0.00 H new ATOM 0 HA GLU A 91 9.887 -2.606 4.319 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.849 -1.952 7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.572 -3.097 6.774 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.335 -4.268 5.252 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.514 -3.302 6.117 1.00 0.00 H new ATOM 192 N THR A 92 9.245 0.151 6.026 1.00 0.00 N ATOM 193 CA THR A 92 8.207 1.130 6.324 1.00 0.00 C ATOM 194 C THR A 92 7.496 1.580 5.053 1.00 0.00 C ATOM 195 O THR A 92 6.266 1.599 4.993 1.00 0.00 O ATOM 196 CB THR A 92 8.788 2.365 7.039 1.00 0.00 C ATOM 197 OG1 THR A 92 9.470 1.964 8.232 1.00 0.00 O ATOM 198 CG2 THR A 92 7.687 3.356 7.386 1.00 0.00 C ATOM 0 H THR A 92 10.167 0.390 6.391 1.00 0.00 H new ATOM 0 HA THR A 92 7.491 0.641 6.984 1.00 0.00 H new ATOM 0 HB THR A 92 9.493 2.851 6.364 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.838 2.754 8.680 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.121 4.220 7.890 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.189 3.681 6.473 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.962 2.878 8.044 1.00 0.00 H new ATOM 206 N ARG A 93 8.276 1.941 4.040 1.00 0.00 N ATOM 207 CA ARG A 93 7.719 2.392 2.770 1.00 0.00 C ATOM 208 C ARG A 93 7.007 1.249 2.052 1.00 0.00 C ATOM 209 O ARG A 93 5.914 1.426 1.515 1.00 0.00 O ATOM 210 CB ARG A 93 8.825 2.959 1.877 1.00 0.00 C ATOM 211 CG ARG A 93 8.330 3.992 0.878 1.00 0.00 C ATOM 212 CD ARG A 93 9.345 4.226 -0.230 1.00 0.00 C ATOM 213 NE ARG A 93 10.354 5.211 0.151 1.00 0.00 N ATOM 214 CZ ARG A 93 10.188 6.522 0.019 1.00 0.00 C ATOM 215 NH1 ARG A 93 9.059 7.004 -0.481 1.00 0.00 N ATOM 216 NH2 ARG A 93 11.153 7.355 0.389 1.00 0.00 N ATOM 0 H ARG A 93 9.295 1.930 4.074 1.00 0.00 H new ATOM 0 HA ARG A 93 6.991 3.176 2.979 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.592 3.412 2.506 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.299 2.140 1.336 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.387 3.658 0.445 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.129 4.931 1.393 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.834 3.284 -0.479 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.829 4.564 -1.129 1.00 0.00 H new ATOM 0 HE ARG A 93 11.234 4.873 0.540 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.315 6.367 -0.766 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.935 8.011 -0.581 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.023 6.988 0.775 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.025 8.362 0.287 1.00 0.00 H new ATOM 230 N SER A 94 7.635 0.078 2.048 1.00 0.00 N ATOM 231 CA SER A 94 7.063 -1.093 1.393 1.00 0.00 C ATOM 232 C SER A 94 5.684 -1.414 1.960 1.00 0.00 C ATOM 233 O SER A 94 4.790 -1.858 1.237 1.00 0.00 O ATOM 234 CB SER A 94 7.989 -2.300 1.560 1.00 0.00 C ATOM 235 OG SER A 94 8.150 -2.634 2.928 1.00 0.00 O ATOM 0 H SER A 94 8.539 -0.086 2.490 1.00 0.00 H new ATOM 0 HA SER A 94 6.957 -0.869 0.332 1.00 0.00 H new ATOM 0 HB2 SER A 94 7.580 -3.154 1.020 1.00 0.00 H new ATOM 0 HB3 SER A 94 8.961 -2.080 1.119 1.00 0.00 H new ATOM 0 HG SER A 94 7.856 -1.883 3.485 1.00 0.00 H new ATOM 241 N LEU A 95 5.517 -1.186 3.258 1.00 0.00 N ATOM 242 CA LEU A 95 4.246 -1.449 3.924 1.00 0.00 C ATOM 243 C LEU A 95 3.207 -0.398 3.550 1.00 0.00 C ATOM 244 O LEU A 95 2.164 -0.717 2.979 1.00 0.00 O ATOM 245 CB LEU A 95 4.439 -1.476 5.441 1.00 0.00 C ATOM 246 CG LEU A 95 3.165 -1.384 6.282 1.00 0.00 C ATOM 247 CD1 LEU A 95 2.264 -2.581 6.017 1.00 0.00 C ATOM 248 CD2 LEU A 95 3.508 -1.289 7.761 1.00 0.00 C ATOM 0 H LEU A 95 6.246 -0.820 3.870 1.00 0.00 H new ATOM 0 HA LEU A 95 3.885 -2.423 3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.959 -2.397 5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.094 -0.650 5.718 1.00 0.00 H new ATOM 0 HG LEU A 95 2.628 -0.480 5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.362 -2.499 6.624 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.991 -2.604 4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.793 -3.499 6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.589 -1.224 8.344 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.067 -2.175 8.062 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.113 -0.400 7.938 1.00 0.00 H new ATOM 260 N ILE A 96 3.500 0.857 3.874 1.00 0.00 N ATOM 261 CA ILE A 96 2.592 1.956 3.569 1.00 0.00 C ATOM 262 C ILE A 96 1.929 1.760 2.210 1.00 0.00 C ATOM 263 O ILE A 96 0.714 1.903 2.075 1.00 0.00 O ATOM 264 CB ILE A 96 3.324 3.311 3.580 1.00 0.00 C ATOM 265 CG1 ILE A 96 3.913 3.586 4.965 1.00 0.00 C ATOM 266 CG2 ILE A 96 2.377 4.428 3.170 1.00 0.00 C ATOM 267 CD1 ILE A 96 5.002 4.635 4.961 1.00 0.00 C ATOM 0 H ILE A 96 4.359 1.138 4.347 1.00 0.00 H new ATOM 0 HA ILE A 96 1.828 1.959 4.346 1.00 0.00 H new ATOM 0 HB ILE A 96 4.141 3.272 2.860 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.114 3.906 5.634 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.315 2.658 5.371 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.909 5.379 3.183 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.001 4.236 2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.541 4.471 3.868 1.00 0.00 H new ATOM 0 HD11 ILE A 96 5.373 4.778 5.976 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.820 4.308 4.318 1.00 0.00 H new ATOM 0 HD13 ILE A 96 4.599 5.576 4.586 1.00 0.00 H new ATOM 279 N MET A 97 2.735 1.431 1.206 1.00 0.00 N ATOM 280 CA MET A 97 2.226 1.212 -0.143 1.00 0.00 C ATOM 281 C MET A 97 1.297 0.002 -0.183 1.00 0.00 C ATOM 282 O MET A 97 0.177 0.084 -0.688 1.00 0.00 O ATOM 283 CB MET A 97 3.384 1.014 -1.122 1.00 0.00 C ATOM 284 CG MET A 97 4.202 2.273 -1.358 1.00 0.00 C ATOM 285 SD MET A 97 3.217 3.627 -2.027 1.00 0.00 S ATOM 286 CE MET A 97 2.513 2.848 -3.478 1.00 0.00 C ATOM 0 H MET A 97 3.743 1.310 1.301 1.00 0.00 H new ATOM 0 HA MET A 97 1.658 2.094 -0.438 1.00 0.00 H new ATOM 0 HB2 MET A 97 4.040 0.230 -0.743 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.987 0.664 -2.075 1.00 0.00 H new ATOM 0 HG2 MET A 97 4.655 2.589 -0.418 1.00 0.00 H new ATOM 0 HG3 MET A 97 5.017 2.048 -2.045 1.00 0.00 H new ATOM 0 HE1 MET A 97 2.345 3.600 -4.249 1.00 0.00 H new ATOM 0 HE2 MET A 97 3.200 2.090 -3.854 1.00 0.00 H new ATOM 0 HE3 MET A 97 1.565 2.379 -3.215 1.00 0.00 H new ATOM 296 N PHE A 98 1.770 -1.119 0.351 1.00 0.00 N ATOM 297 CA PHE A 98 0.982 -2.346 0.374 1.00 0.00 C ATOM 298 C PHE A 98 -0.418 -2.083 0.922 1.00 0.00 C ATOM 299 O PHE A 98 -1.415 -2.508 0.338 1.00 0.00 O ATOM 300 CB PHE A 98 1.682 -3.411 1.221 1.00 0.00 C ATOM 301 CG PHE A 98 2.698 -4.212 0.457 1.00 0.00 C ATOM 302 CD1 PHE A 98 3.558 -3.593 -0.436 1.00 0.00 C ATOM 303 CD2 PHE A 98 2.793 -5.583 0.633 1.00 0.00 C ATOM 304 CE1 PHE A 98 4.493 -4.328 -1.140 1.00 0.00 C ATOM 305 CE2 PHE A 98 3.726 -6.323 -0.069 1.00 0.00 C ATOM 306 CZ PHE A 98 4.578 -5.694 -0.956 1.00 0.00 C ATOM 0 H PHE A 98 2.695 -1.203 0.773 1.00 0.00 H new ATOM 0 HA PHE A 98 0.890 -2.709 -0.650 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.173 -2.927 2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.933 -4.087 1.632 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.497 -2.525 -0.583 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.130 -6.079 1.327 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.157 -3.834 -1.834 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.789 -7.391 0.076 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.309 -6.269 -1.504 1.00 0.00 H new ATOM 316 N ARG A 99 -0.483 -1.381 2.049 1.00 0.00 N ATOM 317 CA ARG A 99 -1.759 -1.063 2.678 1.00 0.00 C ATOM 318 C ARG A 99 -2.631 -0.227 1.745 1.00 0.00 C ATOM 319 O ARG A 99 -3.750 -0.616 1.411 1.00 0.00 O ATOM 320 CB ARG A 99 -1.532 -0.312 3.991 1.00 0.00 C ATOM 321 CG ARG A 99 -1.402 -1.224 5.200 1.00 0.00 C ATOM 322 CD ARG A 99 -2.732 -1.873 5.553 1.00 0.00 C ATOM 323 NE ARG A 99 -3.751 -0.883 5.890 1.00 0.00 N ATOM 324 CZ ARG A 99 -4.809 -1.146 6.649 1.00 0.00 C ATOM 325 NH1 ARG A 99 -4.985 -2.362 7.147 1.00 0.00 N ATOM 326 NH2 ARG A 99 -5.694 -0.192 6.910 1.00 0.00 N ATOM 0 H ARG A 99 0.333 -1.022 2.545 1.00 0.00 H new ATOM 0 HA ARG A 99 -2.275 -2.000 2.888 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.629 0.291 3.903 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -2.361 0.377 4.154 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -0.661 -1.997 4.996 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -1.038 -0.651 6.052 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -3.076 -2.476 4.712 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -2.593 -2.551 6.395 1.00 0.00 H new ATOM 0 HE ARG A 99 -3.645 0.062 5.522 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -4.307 -3.098 6.948 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -5.798 -2.562 7.730 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -5.562 0.744 6.528 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -6.506 -0.395 7.493 1.00 0.00 H new ATOM 340 N ARG A 100 -2.111 0.923 1.330 1.00 0.00 N ATOM 341 CA ARG A 100 -2.843 1.815 0.439 1.00 0.00 C ATOM 342 C ARG A 100 -3.605 1.021 -0.619 1.00 0.00 C ATOM 343 O ARG A 100 -4.767 1.306 -0.906 1.00 0.00 O ATOM 344 CB ARG A 100 -1.883 2.795 -0.238 1.00 0.00 C ATOM 345 CG ARG A 100 -1.249 3.788 0.723 1.00 0.00 C ATOM 346 CD ARG A 100 -0.026 4.453 0.111 1.00 0.00 C ATOM 347 NE ARG A 100 -0.380 5.635 -0.672 1.00 0.00 N ATOM 348 CZ ARG A 100 -0.613 6.828 -0.137 1.00 0.00 C ATOM 349 NH1 ARG A 100 -0.530 6.997 1.176 1.00 0.00 N ATOM 350 NH2 ARG A 100 -0.929 7.855 -0.915 1.00 0.00 N ATOM 0 H ARG A 100 -1.186 1.259 1.596 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.562 2.375 1.037 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -1.095 2.232 -0.738 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.422 3.343 -1.011 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -1.980 4.549 0.996 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -0.964 3.276 1.642 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.667 4.737 0.903 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.494 3.738 -0.527 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.452 5.538 -1.685 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -0.287 6.210 1.777 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -0.709 7.914 1.584 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -0.993 7.729 -1.925 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.108 8.771 -0.503 1.00 0.00 H new ATOM 364 N GLY A 101 -2.941 0.024 -1.195 1.00 0.00 N ATOM 365 CA GLY A 101 -3.571 -0.795 -2.214 1.00 0.00 C ATOM 366 C GLY A 101 -4.637 -1.711 -1.646 1.00 0.00 C ATOM 367 O GLY A 101 -5.708 -1.865 -2.231 1.00 0.00 O ATOM 0 H GLY A 101 -1.978 -0.231 -0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.017 -0.149 -2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -2.811 -1.394 -2.715 1.00 0.00 H new ATOM 371 N MET A 102 -4.342 -2.321 -0.502 1.00 0.00 N ATOM 372 CA MET A 102 -5.284 -3.226 0.145 1.00 0.00 C ATOM 373 C MET A 102 -6.483 -2.461 0.695 1.00 0.00 C ATOM 374 O MET A 102 -7.555 -3.031 0.899 1.00 0.00 O ATOM 375 CB MET A 102 -4.593 -3.995 1.273 1.00 0.00 C ATOM 376 CG MET A 102 -3.394 -4.806 0.810 1.00 0.00 C ATOM 377 SD MET A 102 -3.867 -6.345 -0.001 1.00 0.00 S ATOM 378 CE MET A 102 -4.416 -7.312 1.403 1.00 0.00 C ATOM 0 H MET A 102 -3.459 -2.205 -0.005 1.00 0.00 H new ATOM 0 HA MET A 102 -5.640 -3.935 -0.603 1.00 0.00 H new ATOM 0 HB2 MET A 102 -4.270 -3.289 2.038 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.315 -4.664 1.741 1.00 0.00 H new ATOM 0 HG2 MET A 102 -2.798 -4.206 0.122 1.00 0.00 H new ATOM 0 HG3 MET A 102 -2.760 -5.032 1.667 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.177 -8.022 1.080 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.570 -7.854 1.825 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.836 -6.649 2.160 1.00 0.00 H new ATOM 388 N ASP A 103 -6.295 -1.168 0.934 1.00 0.00 N ATOM 389 CA ASP A 103 -7.362 -0.325 1.460 1.00 0.00 C ATOM 390 C ASP A 103 -8.720 -0.769 0.925 1.00 0.00 C ATOM 391 O ASP A 103 -9.682 -0.903 1.680 1.00 0.00 O ATOM 392 CB ASP A 103 -7.111 1.139 1.096 1.00 0.00 C ATOM 393 CG ASP A 103 -8.370 1.980 1.173 1.00 0.00 C ATOM 394 OD1 ASP A 103 -9.157 1.782 2.122 1.00 0.00 O ATOM 395 OD2 ASP A 103 -8.569 2.835 0.285 1.00 0.00 O ATOM 0 H ASP A 103 -5.414 -0.681 0.772 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.369 -0.426 2.545 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.359 1.553 1.768 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.702 1.194 0.087 1.00 0.00 H new ATOM 400 N GLY A 104 -8.790 -0.995 -0.383 1.00 0.00 N ATOM 401 CA GLY A 104 -10.034 -1.420 -0.997 1.00 0.00 C ATOM 402 C GLY A 104 -10.603 -2.667 -0.350 1.00 0.00 C ATOM 403 O GLY A 104 -11.742 -2.666 0.121 1.00 0.00 O ATOM 0 H GLY A 104 -8.007 -0.891 -1.029 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.764 -0.613 -0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -9.866 -1.609 -2.057 1.00 0.00 H new ATOM 407 N LEU A 105 -9.812 -3.734 -0.327 1.00 0.00 N ATOM 408 CA LEU A 105 -10.244 -4.994 0.266 1.00 0.00 C ATOM 409 C LEU A 105 -10.832 -4.769 1.655 1.00 0.00 C ATOM 410 O LEU A 105 -11.791 -5.432 2.050 1.00 0.00 O ATOM 411 CB LEU A 105 -9.070 -5.971 0.349 1.00 0.00 C ATOM 412 CG LEU A 105 -8.413 -6.345 -0.980 1.00 0.00 C ATOM 413 CD1 LEU A 105 -7.060 -6.998 -0.742 1.00 0.00 C ATOM 414 CD2 LEU A 105 -9.319 -7.268 -1.782 1.00 0.00 C ATOM 0 H LEU A 105 -8.868 -3.751 -0.712 1.00 0.00 H new ATOM 0 HA LEU A 105 -11.019 -5.420 -0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.309 -5.539 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -9.418 -6.885 0.830 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.257 -5.432 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.608 -7.257 -1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.410 -6.304 -0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.192 -7.901 -0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.835 -7.524 -2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -9.507 -8.178 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -10.264 -6.764 -1.984 1.00 0.00 H new ATOM 426 N PHE A 106 -10.252 -3.827 2.392 1.00 0.00 N ATOM 427 CA PHE A 106 -10.719 -3.513 3.737 1.00 0.00 C ATOM 428 C PHE A 106 -12.134 -2.941 3.702 1.00 0.00 C ATOM 429 O PHE A 106 -12.931 -3.175 4.609 1.00 0.00 O ATOM 430 CB PHE A 106 -9.772 -2.518 4.410 1.00 0.00 C ATOM 431 CG PHE A 106 -8.468 -3.128 4.840 1.00 0.00 C ATOM 432 CD1 PHE A 106 -8.354 -3.753 6.072 1.00 0.00 C ATOM 433 CD2 PHE A 106 -7.358 -3.078 4.013 1.00 0.00 C ATOM 434 CE1 PHE A 106 -7.156 -4.315 6.471 1.00 0.00 C ATOM 435 CE2 PHE A 106 -6.157 -3.638 4.407 1.00 0.00 C ATOM 436 CZ PHE A 106 -6.057 -4.258 5.637 1.00 0.00 C ATOM 0 H PHE A 106 -9.458 -3.268 2.080 1.00 0.00 H new ATOM 0 HA PHE A 106 -10.733 -4.438 4.314 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.571 -1.698 3.721 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.268 -2.089 5.281 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -9.211 -3.801 6.727 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -7.432 -2.596 3.049 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -7.080 -4.798 7.434 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -5.298 -3.591 3.754 1.00 0.00 H new ATOM 0 HZ PHE A 106 -5.120 -4.698 5.946 1.00 0.00 H new ATOM 532 N LYS A 113 -8.646 -9.123 9.228 1.00 0.00 N ATOM 533 CA LYS A 113 -7.611 -10.014 9.739 1.00 0.00 C ATOM 534 C LYS A 113 -6.909 -10.743 8.597 1.00 0.00 C ATOM 535 O LYS A 113 -5.680 -10.772 8.529 1.00 0.00 O ATOM 536 CB LYS A 113 -8.216 -11.029 10.711 1.00 0.00 C ATOM 537 CG LYS A 113 -8.380 -10.495 12.124 1.00 0.00 C ATOM 538 CD LYS A 113 -7.089 -10.612 12.917 1.00 0.00 C ATOM 539 CE LYS A 113 -7.303 -10.266 14.383 1.00 0.00 C ATOM 540 NZ LYS A 113 -6.028 -10.298 15.152 1.00 0.00 N ATOM 0 HA LYS A 113 -6.875 -9.409 10.268 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -9.190 -11.344 10.335 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -7.583 -11.916 10.738 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -8.691 -9.451 12.086 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -9.172 -11.045 12.632 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -6.701 -11.627 12.834 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -6.337 -9.947 12.491 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -7.749 -9.275 14.461 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -8.010 -10.969 14.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -6.216 -10.057 16.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -5.615 -11.251 15.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -5.362 -9.609 14.749 1.00 0.00 H new ATOM 554 N HIS A 114 -7.698 -11.329 7.702 1.00 0.00 N ATOM 555 CA HIS A 114 -7.151 -12.056 6.562 1.00 0.00 C ATOM 556 C HIS A 114 -6.278 -11.145 5.705 1.00 0.00 C ATOM 557 O HIS A 114 -5.249 -11.570 5.178 1.00 0.00 O ATOM 558 CB HIS A 114 -8.281 -12.643 5.715 1.00 0.00 C ATOM 559 CG HIS A 114 -8.880 -11.663 4.754 1.00 0.00 C ATOM 560 ND1 HIS A 114 -9.973 -10.880 5.060 1.00 0.00 N ATOM 561 CD2 HIS A 114 -8.531 -11.340 3.487 1.00 0.00 C ATOM 562 CE1 HIS A 114 -10.272 -10.119 4.022 1.00 0.00 C ATOM 563 NE2 HIS A 114 -9.411 -10.379 3.054 1.00 0.00 N ATOM 0 H HIS A 114 -8.717 -11.315 7.744 1.00 0.00 H new ATOM 0 HA HIS A 114 -6.533 -12.869 6.943 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -7.900 -13.499 5.158 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -9.063 -13.016 6.376 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -10.473 -10.887 5.949 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -7.712 -11.760 2.921 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -11.082 -9.406 3.973 1.00 0.00 H new ATOM 571 N LEU A 115 -6.695 -9.891 5.568 1.00 0.00 N ATOM 572 CA LEU A 115 -5.951 -8.919 4.774 1.00 0.00 C ATOM 573 C LEU A 115 -4.569 -8.673 5.370 1.00 0.00 C ATOM 574 O LEU A 115 -3.575 -8.598 4.647 1.00 0.00 O ATOM 575 CB LEU A 115 -6.724 -7.602 4.688 1.00 0.00 C ATOM 576 CG LEU A 115 -8.085 -7.666 3.994 1.00 0.00 C ATOM 577 CD1 LEU A 115 -8.833 -6.353 4.164 1.00 0.00 C ATOM 578 CD2 LEU A 115 -7.916 -8.000 2.519 1.00 0.00 C ATOM 0 H LEU A 115 -7.544 -9.523 5.996 1.00 0.00 H new ATOM 0 HA LEU A 115 -5.826 -9.326 3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -6.872 -7.224 5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.105 -6.874 4.163 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.673 -8.457 4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.799 -6.417 3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.986 -6.156 5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.250 -5.543 3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -8.895 -8.041 2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.310 -7.232 2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.422 -8.967 2.419 1.00 0.00 H new ATOM 590 N TRP A 116 -4.513 -8.550 6.691 1.00 0.00 N ATOM 591 CA TRP A 116 -3.252 -8.315 7.384 1.00 0.00 C ATOM 592 C TRP A 116 -2.247 -9.420 7.077 1.00 0.00 C ATOM 593 O TRP A 116 -1.162 -9.158 6.559 1.00 0.00 O ATOM 594 CB TRP A 116 -3.484 -8.226 8.893 1.00 0.00 C ATOM 595 CG TRP A 116 -3.914 -6.864 9.348 1.00 0.00 C ATOM 596 CD1 TRP A 116 -5.053 -6.550 10.033 1.00 0.00 C ATOM 597 CD2 TRP A 116 -3.211 -5.632 9.150 1.00 0.00 C ATOM 598 NE1 TRP A 116 -5.101 -5.197 10.271 1.00 0.00 N ATOM 599 CE2 TRP A 116 -3.982 -4.612 9.741 1.00 0.00 C ATOM 600 CE3 TRP A 116 -2.004 -5.293 8.532 1.00 0.00 C ATOM 601 CZ2 TRP A 116 -3.584 -3.278 9.729 1.00 0.00 C ATOM 602 CZ3 TRP A 116 -1.611 -3.968 8.522 1.00 0.00 C ATOM 603 CH2 TRP A 116 -2.399 -2.974 9.118 1.00 0.00 C ATOM 0 H TRP A 116 -5.326 -8.609 7.304 1.00 0.00 H new ATOM 0 HA TRP A 116 -2.843 -7.369 7.030 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -4.243 -8.954 9.180 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -2.566 -8.501 9.412 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -5.805 -7.260 10.342 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -5.849 -4.708 10.763 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.390 -6.052 8.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.190 -2.510 10.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -0.681 -3.694 8.047 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -2.064 -1.948 9.094 1.00 0.00 H new ATOM 614 N GLU A 117 -2.616 -10.656 7.399 1.00 0.00 N ATOM 615 CA GLU A 117 -1.745 -11.800 7.157 1.00 0.00 C ATOM 616 C GLU A 117 -1.252 -11.813 5.713 1.00 0.00 C ATOM 617 O GLU A 117 -0.118 -12.202 5.438 1.00 0.00 O ATOM 618 CB GLU A 117 -2.482 -13.105 7.467 1.00 0.00 C ATOM 619 CG GLU A 117 -3.680 -13.356 6.568 1.00 0.00 C ATOM 620 CD GLU A 117 -4.114 -14.809 6.566 1.00 0.00 C ATOM 621 OE1 GLU A 117 -3.285 -15.675 6.916 1.00 0.00 O ATOM 622 OE2 GLU A 117 -5.282 -15.079 6.216 1.00 0.00 O ATOM 0 H GLU A 117 -3.511 -10.890 7.828 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.882 -11.713 7.817 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -1.785 -13.938 7.370 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -2.815 -13.087 8.505 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -4.512 -12.733 6.895 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -3.436 -13.052 5.550 1.00 0.00 H new ATOM 629 N GLN A 118 -2.114 -11.384 4.796 1.00 0.00 N ATOM 630 CA GLN A 118 -1.767 -11.347 3.380 1.00 0.00 C ATOM 631 C GLN A 118 -0.590 -10.409 3.133 1.00 0.00 C ATOM 632 O GLN A 118 0.328 -10.735 2.380 1.00 0.00 O ATOM 633 CB GLN A 118 -2.972 -10.904 2.549 1.00 0.00 C ATOM 634 CG GLN A 118 -3.861 -12.054 2.106 1.00 0.00 C ATOM 635 CD GLN A 118 -4.701 -11.707 0.892 1.00 0.00 C ATOM 636 OE1 GLN A 118 -4.235 -11.036 -0.029 1.00 0.00 O ATOM 637 NE2 GLN A 118 -5.948 -12.164 0.884 1.00 0.00 N ATOM 0 H GLN A 118 -3.057 -11.058 5.008 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.476 -12.353 3.076 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -3.566 -10.200 3.132 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -2.618 -10.369 1.668 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -3.241 -12.921 1.878 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -4.517 -12.339 2.928 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -6.294 -12.717 1.669 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -6.560 -11.962 0.093 1.00 0.00 H new ATOM 646 N ILE A 119 -0.624 -9.244 3.770 1.00 0.00 N ATOM 647 CA ILE A 119 0.440 -8.259 3.619 1.00 0.00 C ATOM 648 C ILE A 119 1.783 -8.829 4.063 1.00 0.00 C ATOM 649 O ILE A 119 2.772 -8.755 3.333 1.00 0.00 O ATOM 650 CB ILE A 119 0.144 -6.983 4.428 1.00 0.00 C ATOM 651 CG1 ILE A 119 -1.151 -6.331 3.939 1.00 0.00 C ATOM 652 CG2 ILE A 119 1.307 -6.007 4.321 1.00 0.00 C ATOM 653 CD1 ILE A 119 -1.690 -5.277 4.880 1.00 0.00 C ATOM 0 H ILE A 119 -1.377 -8.959 4.396 1.00 0.00 H new ATOM 0 HA ILE A 119 0.488 -8.005 2.560 1.00 0.00 H new ATOM 0 HB ILE A 119 0.018 -7.256 5.476 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -0.974 -5.879 2.963 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -1.907 -7.104 3.800 1.00 0.00 H new ATOM 0 HG21 ILE A 119 1.083 -5.110 4.898 1.00 0.00 H new ATOM 0 HG22 ILE A 119 2.211 -6.474 4.712 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.461 -5.737 3.276 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -2.609 -4.858 4.469 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -1.899 -5.728 5.850 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -0.952 -4.484 5.000 1.00 0.00 H new ATOM 665 N SER A 120 1.810 -9.399 5.263 1.00 0.00 N ATOM 666 CA SER A 120 3.033 -9.980 5.806 1.00 0.00 C ATOM 667 C SER A 120 3.615 -11.014 4.846 1.00 0.00 C ATOM 668 O SER A 120 4.768 -10.908 4.427 1.00 0.00 O ATOM 669 CB SER A 120 2.756 -10.628 7.164 1.00 0.00 C ATOM 670 OG SER A 120 3.843 -11.439 7.574 1.00 0.00 O ATOM 0 H SER A 120 0.999 -9.471 5.878 1.00 0.00 H new ATOM 0 HA SER A 120 3.761 -9.179 5.936 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.575 -9.854 7.909 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.850 -11.232 7.104 1.00 0.00 H new ATOM 0 HG SER A 120 4.561 -10.871 7.924 1.00 0.00 H new ATOM 676 N SER A 121 2.809 -12.013 4.502 1.00 0.00 N ATOM 677 CA SER A 121 3.245 -13.069 3.595 1.00 0.00 C ATOM 678 C SER A 121 3.799 -12.479 2.301 1.00 0.00 C ATOM 679 O SER A 121 4.850 -12.896 1.815 1.00 0.00 O ATOM 680 CB SER A 121 2.082 -14.013 3.282 1.00 0.00 C ATOM 681 OG SER A 121 2.523 -15.134 2.535 1.00 0.00 O ATOM 0 H SER A 121 1.851 -12.114 4.837 1.00 0.00 H new ATOM 0 HA SER A 121 4.039 -13.632 4.086 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.622 -14.349 4.211 1.00 0.00 H new ATOM 0 HB3 SER A 121 1.315 -13.478 2.722 1.00 0.00 H new ATOM 0 HG SER A 121 1.762 -15.723 2.349 1.00 0.00 H new ATOM 687 N LYS A 122 3.082 -11.506 1.748 1.00 0.00 N ATOM 688 CA LYS A 122 3.500 -10.857 0.511 1.00 0.00 C ATOM 689 C LYS A 122 4.861 -10.189 0.680 1.00 0.00 C ATOM 690 O LYS A 122 5.790 -10.450 -0.084 1.00 0.00 O ATOM 691 CB LYS A 122 2.461 -9.819 0.080 1.00 0.00 C ATOM 692 CG LYS A 122 1.289 -10.412 -0.682 1.00 0.00 C ATOM 693 CD LYS A 122 0.219 -9.370 -0.959 1.00 0.00 C ATOM 694 CE LYS A 122 -0.939 -9.956 -1.753 1.00 0.00 C ATOM 695 NZ LYS A 122 -0.642 -10.006 -3.211 1.00 0.00 N ATOM 0 H LYS A 122 2.209 -11.150 2.137 1.00 0.00 H new ATOM 0 HA LYS A 122 3.584 -11.622 -0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 122 2.085 -9.304 0.964 1.00 0.00 H new ATOM 0 HB3 LYS A 122 2.947 -9.068 -0.544 1.00 0.00 H new ATOM 0 HG2 LYS A 122 1.642 -10.832 -1.624 1.00 0.00 H new ATOM 0 HG3 LYS A 122 0.859 -11.233 -0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -0.152 -8.968 -0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 122 0.655 -8.537 -1.511 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -1.155 -10.961 -1.392 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -1.834 -9.357 -1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -1.455 -10.411 -3.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -0.461 -9.044 -3.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 0.197 -10.598 -3.374 1.00 0.00 H new ATOM 709 N MET A 123 4.973 -9.329 1.687 1.00 0.00 N ATOM 710 CA MET A 123 6.222 -8.626 1.957 1.00 0.00 C ATOM 711 C MET A 123 7.406 -9.587 1.914 1.00 0.00 C ATOM 712 O MET A 123 8.349 -9.391 1.148 1.00 0.00 O ATOM 713 CB MET A 123 6.159 -7.936 3.320 1.00 0.00 C ATOM 714 CG MET A 123 5.232 -6.732 3.349 1.00 0.00 C ATOM 715 SD MET A 123 6.067 -5.201 2.890 1.00 0.00 S ATOM 716 CE MET A 123 6.795 -4.729 4.457 1.00 0.00 C ATOM 0 H MET A 123 4.214 -9.102 2.330 1.00 0.00 H new ATOM 0 HA MET A 123 6.361 -7.872 1.183 1.00 0.00 H new ATOM 0 HB2 MET A 123 5.829 -8.657 4.068 1.00 0.00 H new ATOM 0 HB3 MET A 123 7.162 -7.619 3.604 1.00 0.00 H new ATOM 0 HG2 MET A 123 4.398 -6.904 2.669 1.00 0.00 H new ATOM 0 HG3 MET A 123 4.811 -6.626 4.349 1.00 0.00 H new ATOM 0 HE1 MET A 123 6.583 -3.678 4.655 1.00 0.00 H new ATOM 0 HE2 MET A 123 6.372 -5.341 5.254 1.00 0.00 H new ATOM 0 HE3 MET A 123 7.874 -4.881 4.417 1.00 0.00 H new ATOM 726 N ARG A 124 7.349 -10.625 2.742 1.00 0.00 N ATOM 727 CA ARG A 124 8.418 -11.616 2.800 1.00 0.00 C ATOM 728 C ARG A 124 8.800 -12.085 1.399 1.00 0.00 C ATOM 729 O ARG A 124 9.979 -12.130 1.050 1.00 0.00 O ATOM 730 CB ARG A 124 7.988 -12.812 3.651 1.00 0.00 C ATOM 731 CG ARG A 124 9.146 -13.516 4.340 1.00 0.00 C ATOM 732 CD ARG A 124 8.669 -14.715 5.145 1.00 0.00 C ATOM 733 NE ARG A 124 8.343 -15.853 4.290 1.00 0.00 N ATOM 734 CZ ARG A 124 8.040 -17.059 4.756 1.00 0.00 C ATOM 735 NH1 ARG A 124 8.022 -17.284 6.063 1.00 0.00 N ATOM 736 NH2 ARG A 124 7.754 -18.045 3.914 1.00 0.00 N ATOM 0 H ARG A 124 6.575 -10.802 3.382 1.00 0.00 H new ATOM 0 HA ARG A 124 9.289 -11.148 3.258 1.00 0.00 H new ATOM 0 HB2 ARG A 124 7.278 -12.474 4.406 1.00 0.00 H new ATOM 0 HB3 ARG A 124 7.463 -13.528 3.018 1.00 0.00 H new ATOM 0 HG2 ARG A 124 9.871 -13.842 3.594 1.00 0.00 H new ATOM 0 HG3 ARG A 124 9.660 -12.815 4.998 1.00 0.00 H new ATOM 0 HD2 ARG A 124 9.443 -15.005 5.856 1.00 0.00 H new ATOM 0 HD3 ARG A 124 7.791 -14.435 5.727 1.00 0.00 H new ATOM 0 HE ARG A 124 8.348 -15.714 3.280 1.00 0.00 H new ATOM 0 HH11 ARG A 124 8.241 -16.530 6.713 1.00 0.00 H new ATOM 0 HH12 ARG A 124 7.789 -18.211 6.418 1.00 0.00 H new ATOM 0 HH21 ARG A 124 7.767 -17.877 2.908 1.00 0.00 H new ATOM 0 HH22 ARG A 124 7.521 -18.971 4.273 1.00 0.00 H new ATOM 750 N GLU A 125 7.794 -12.434 0.603 1.00 0.00 N ATOM 751 CA GLU A 125 8.026 -12.902 -0.759 1.00 0.00 C ATOM 752 C GLU A 125 8.817 -11.872 -1.560 1.00 0.00 C ATOM 753 O GLU A 125 9.740 -12.218 -2.298 1.00 0.00 O ATOM 754 CB GLU A 125 6.695 -13.193 -1.455 1.00 0.00 C ATOM 755 CG GLU A 125 6.105 -14.547 -1.097 1.00 0.00 C ATOM 756 CD GLU A 125 6.774 -15.689 -1.836 1.00 0.00 C ATOM 757 OE1 GLU A 125 7.937 -15.522 -2.259 1.00 0.00 O ATOM 758 OE2 GLU A 125 6.134 -16.751 -1.991 1.00 0.00 O ATOM 0 H GLU A 125 6.812 -12.402 0.877 1.00 0.00 H new ATOM 0 HA GLU A 125 8.609 -13.822 -0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 125 5.980 -12.413 -1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 125 6.840 -13.143 -2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 125 6.201 -14.708 -0.023 1.00 0.00 H new ATOM 0 HG3 GLU A 125 5.039 -14.546 -1.325 1.00 0.00 H new ATOM 765 N LYS A 126 8.449 -10.605 -1.411 1.00 0.00 N ATOM 766 CA LYS A 126 9.122 -9.523 -2.119 1.00 0.00 C ATOM 767 C LYS A 126 10.553 -9.353 -1.619 1.00 0.00 C ATOM 768 O LYS A 126 11.493 -9.279 -2.409 1.00 0.00 O ATOM 769 CB LYS A 126 8.351 -8.213 -1.944 1.00 0.00 C ATOM 770 CG LYS A 126 7.255 -8.010 -2.975 1.00 0.00 C ATOM 771 CD LYS A 126 5.934 -8.599 -2.509 1.00 0.00 C ATOM 772 CE LYS A 126 5.792 -10.053 -2.931 1.00 0.00 C ATOM 773 NZ LYS A 126 5.146 -10.182 -4.267 1.00 0.00 N ATOM 0 H LYS A 126 7.687 -10.301 -0.805 1.00 0.00 H new ATOM 0 HA LYS A 126 9.153 -9.780 -3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 126 7.909 -8.191 -0.948 1.00 0.00 H new ATOM 0 HB3 LYS A 126 9.051 -7.379 -2.001 1.00 0.00 H new ATOM 0 HG2 LYS A 126 7.131 -6.945 -3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 126 7.549 -8.474 -3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 126 5.865 -8.526 -1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 126 5.110 -8.017 -2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 126 6.776 -10.522 -2.956 1.00 0.00 H new ATOM 0 HE3 LYS A 126 5.202 -10.591 -2.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 5.067 -11.188 -4.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 4.197 -9.758 -4.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 5.722 -9.691 -4.980 1.00 0.00 H new ATOM 787 N GLY A 127 10.711 -9.293 -0.300 1.00 0.00 N ATOM 788 CA GLY A 127 12.031 -9.134 0.283 1.00 0.00 C ATOM 789 C GLY A 127 11.995 -8.405 1.611 1.00 0.00 C ATOM 790 O GLY A 127 12.911 -7.651 1.939 1.00 0.00 O ATOM 0 H GLY A 127 9.949 -9.352 0.375 1.00 0.00 H new ATOM 0 HA2 GLY A 127 12.483 -10.116 0.423 1.00 0.00 H new ATOM 0 HA3 GLY A 127 12.668 -8.586 -0.411 1.00 0.00 H new ATOM 794 N PHE A 128 10.932 -8.628 2.378 1.00 0.00 N ATOM 795 CA PHE A 128 10.779 -7.984 3.677 1.00 0.00 C ATOM 796 C PHE A 128 10.153 -8.941 4.688 1.00 0.00 C ATOM 797 O PHE A 128 8.953 -9.212 4.642 1.00 0.00 O ATOM 798 CB PHE A 128 9.917 -6.726 3.548 1.00 0.00 C ATOM 799 CG PHE A 128 10.570 -5.632 2.753 1.00 0.00 C ATOM 800 CD1 PHE A 128 11.800 -5.121 3.133 1.00 0.00 C ATOM 801 CD2 PHE A 128 9.952 -5.114 1.626 1.00 0.00 C ATOM 802 CE1 PHE A 128 12.403 -4.114 2.404 1.00 0.00 C ATOM 803 CE2 PHE A 128 10.551 -4.107 0.893 1.00 0.00 C ATOM 804 CZ PHE A 128 11.777 -3.605 1.283 1.00 0.00 C ATOM 0 H PHE A 128 10.165 -9.249 2.122 1.00 0.00 H new ATOM 0 HA PHE A 128 11.770 -7.703 4.034 1.00 0.00 H new ATOM 0 HB2 PHE A 128 8.970 -6.991 3.078 1.00 0.00 H new ATOM 0 HB3 PHE A 128 9.684 -6.351 4.545 1.00 0.00 H new ATOM 0 HD1 PHE A 128 12.294 -5.514 4.009 1.00 0.00 H new ATOM 0 HD2 PHE A 128 8.992 -5.501 1.317 1.00 0.00 H new ATOM 0 HE1 PHE A 128 13.363 -3.725 2.710 1.00 0.00 H new ATOM 0 HE2 PHE A 128 10.060 -3.713 0.015 1.00 0.00 H new ATOM 0 HZ PHE A 128 12.245 -2.816 0.713 1.00 0.00 H new ATOM 814 N ASP A 129 10.975 -9.451 5.598 1.00 0.00 N ATOM 815 CA ASP A 129 10.504 -10.377 6.621 1.00 0.00 C ATOM 816 C ASP A 129 10.048 -9.625 7.867 1.00 0.00 C ATOM 817 O ASP A 129 10.857 -9.283 8.729 1.00 0.00 O ATOM 818 CB ASP A 129 11.607 -11.372 6.986 1.00 0.00 C ATOM 819 CG ASP A 129 12.399 -11.828 5.776 1.00 0.00 C ATOM 820 OD1 ASP A 129 11.786 -12.386 4.841 1.00 0.00 O ATOM 821 OD2 ASP A 129 13.631 -11.627 5.764 1.00 0.00 O ATOM 0 H ASP A 129 11.971 -9.239 5.648 1.00 0.00 H new ATOM 0 HA ASP A 129 9.652 -10.923 6.216 1.00 0.00 H new ATOM 0 HB2 ASP A 129 12.283 -10.912 7.707 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.163 -12.240 7.474 1.00 0.00 H new ATOM 826 N ARG A 130 8.746 -9.370 7.954 1.00 0.00 N ATOM 827 CA ARG A 130 8.183 -8.656 9.094 1.00 0.00 C ATOM 828 C ARG A 130 6.853 -9.272 9.518 1.00 0.00 C ATOM 829 O ARG A 130 5.967 -9.492 8.691 1.00 0.00 O ATOM 830 CB ARG A 130 7.985 -7.178 8.750 1.00 0.00 C ATOM 831 CG ARG A 130 9.212 -6.322 9.017 1.00 0.00 C ATOM 832 CD ARG A 130 9.239 -5.819 10.452 1.00 0.00 C ATOM 833 NE ARG A 130 9.769 -6.821 11.373 1.00 0.00 N ATOM 834 CZ ARG A 130 11.065 -6.995 11.604 1.00 0.00 C ATOM 835 NH1 ARG A 130 11.960 -6.237 10.985 1.00 0.00 N ATOM 836 NH2 ARG A 130 11.469 -7.928 12.457 1.00 0.00 N ATOM 0 H ARG A 130 8.062 -9.647 7.250 1.00 0.00 H new ATOM 0 HA ARG A 130 8.884 -8.739 9.925 1.00 0.00 H new ATOM 0 HB2 ARG A 130 7.714 -7.092 7.698 1.00 0.00 H new ATOM 0 HB3 ARG A 130 7.147 -6.788 9.328 1.00 0.00 H new ATOM 0 HG2 ARG A 130 10.113 -6.903 8.817 1.00 0.00 H new ATOM 0 HG3 ARG A 130 9.221 -5.474 8.333 1.00 0.00 H new ATOM 0 HD2 ARG A 130 9.848 -4.917 10.508 1.00 0.00 H new ATOM 0 HD3 ARG A 130 8.230 -5.543 10.758 1.00 0.00 H new ATOM 0 HE ARG A 130 9.107 -7.420 11.866 1.00 0.00 H new ATOM 0 HH11 ARG A 130 11.653 -5.518 10.330 1.00 0.00 H new ATOM 0 HH12 ARG A 130 12.955 -6.373 11.164 1.00 0.00 H new ATOM 0 HH21 ARG A 130 10.784 -8.512 12.936 1.00 0.00 H new ATOM 0 HH22 ARG A 130 12.465 -8.061 12.634 1.00 0.00 H new ATOM 850 N SER A 131 6.720 -9.549 10.811 1.00 0.00 N ATOM 851 CA SER A 131 5.501 -10.145 11.344 1.00 0.00 C ATOM 852 C SER A 131 4.275 -9.339 10.925 1.00 0.00 C ATOM 853 O SER A 131 4.346 -8.134 10.681 1.00 0.00 O ATOM 854 CB SER A 131 5.574 -10.227 12.870 1.00 0.00 C ATOM 855 OG SER A 131 6.752 -10.895 13.289 1.00 0.00 O ATOM 0 H SER A 131 7.442 -9.370 11.509 1.00 0.00 H new ATOM 0 HA SER A 131 5.409 -11.152 10.937 1.00 0.00 H new ATOM 0 HB2 SER A 131 5.552 -9.223 13.293 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.699 -10.753 13.251 1.00 0.00 H new ATOM 0 HG SER A 131 6.776 -10.933 14.268 1.00 0.00 H new ATOM 861 N PRO A 132 3.122 -10.019 10.840 1.00 0.00 N ATOM 862 CA PRO A 132 1.857 -9.388 10.451 1.00 0.00 C ATOM 863 C PRO A 132 1.331 -8.437 11.521 1.00 0.00 C ATOM 864 O PRO A 132 0.729 -7.408 11.211 1.00 0.00 O ATOM 865 CB PRO A 132 0.907 -10.575 10.277 1.00 0.00 C ATOM 866 CG PRO A 132 1.472 -11.643 11.147 1.00 0.00 C ATOM 867 CD PRO A 132 2.964 -11.456 11.118 1.00 0.00 C ATOM 0 HA PRO A 132 1.965 -8.776 9.555 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -0.109 -10.316 10.577 1.00 0.00 H new ATOM 0 HB3 PRO A 132 0.860 -10.896 9.236 1.00 0.00 H new ATOM 0 HG2 PRO A 132 1.088 -11.561 12.164 1.00 0.00 H new ATOM 0 HG3 PRO A 132 1.196 -12.632 10.780 1.00 0.00 H new ATOM 0 HD2 PRO A 132 3.422 -11.735 12.067 1.00 0.00 H new ATOM 0 HD3 PRO A 132 3.431 -12.068 10.347 1.00 0.00 H new ATOM 875 N THR A 133 1.561 -8.787 12.782 1.00 0.00 N ATOM 876 CA THR A 133 1.110 -7.965 13.898 1.00 0.00 C ATOM 877 C THR A 133 1.856 -6.636 13.940 1.00 0.00 C ATOM 878 O THR A 133 1.270 -5.593 14.227 1.00 0.00 O ATOM 879 CB THR A 133 1.301 -8.690 15.244 1.00 0.00 C ATOM 880 OG1 THR A 133 2.512 -9.453 15.221 1.00 0.00 O ATOM 881 CG2 THR A 133 0.123 -9.607 15.536 1.00 0.00 C ATOM 0 H THR A 133 2.057 -9.635 13.056 1.00 0.00 H new ATOM 0 HA THR A 133 0.048 -7.778 13.742 1.00 0.00 H new ATOM 0 HB THR A 133 1.360 -7.939 16.032 1.00 0.00 H new ATOM 0 HG1 THR A 133 2.627 -9.910 16.080 1.00 0.00 H new ATOM 0 HG21 THR A 133 0.280 -10.108 16.491 1.00 0.00 H new ATOM 0 HG22 THR A 133 -0.794 -9.019 15.581 1.00 0.00 H new ATOM 0 HG23 THR A 133 0.037 -10.352 14.745 1.00 0.00 H new ATOM 889 N MET A 134 3.153 -6.682 13.650 1.00 0.00 N ATOM 890 CA MET A 134 3.978 -5.480 13.652 1.00 0.00 C ATOM 891 C MET A 134 3.421 -4.435 12.690 1.00 0.00 C ATOM 892 O MET A 134 3.428 -3.240 12.985 1.00 0.00 O ATOM 893 CB MET A 134 5.419 -5.824 13.271 1.00 0.00 C ATOM 894 CG MET A 134 6.076 -6.819 14.214 1.00 0.00 C ATOM 895 SD MET A 134 6.645 -6.054 15.744 1.00 0.00 S ATOM 896 CE MET A 134 8.064 -5.134 15.156 1.00 0.00 C ATOM 0 H MET A 134 3.654 -7.538 13.411 1.00 0.00 H new ATOM 0 HA MET A 134 3.965 -5.063 14.659 1.00 0.00 H new ATOM 0 HB2 MET A 134 5.431 -6.231 12.260 1.00 0.00 H new ATOM 0 HB3 MET A 134 6.010 -4.908 13.253 1.00 0.00 H new ATOM 0 HG2 MET A 134 5.367 -7.612 14.451 1.00 0.00 H new ATOM 0 HG3 MET A 134 6.922 -7.287 13.710 1.00 0.00 H new ATOM 0 HE1 MET A 134 8.788 -5.026 15.964 1.00 0.00 H new ATOM 0 HE2 MET A 134 8.525 -5.668 14.325 1.00 0.00 H new ATOM 0 HE3 MET A 134 7.745 -4.147 14.821 1.00 0.00 H new ATOM 906 N CYS A 135 2.940 -4.894 11.540 1.00 0.00 N ATOM 907 CA CYS A 135 2.381 -3.999 10.534 1.00 0.00 C ATOM 908 C CYS A 135 1.050 -3.419 11.002 1.00 0.00 C ATOM 909 O CYS A 135 0.766 -2.239 10.794 1.00 0.00 O ATOM 910 CB CYS A 135 2.190 -4.741 9.210 1.00 0.00 C ATOM 911 SG CYS A 135 3.684 -5.557 8.600 1.00 0.00 S ATOM 0 H CYS A 135 2.926 -5.881 11.281 1.00 0.00 H new ATOM 0 HA CYS A 135 3.082 -3.178 10.384 1.00 0.00 H new ATOM 0 HB2 CYS A 135 1.406 -5.488 9.334 1.00 0.00 H new ATOM 0 HB3 CYS A 135 1.841 -4.035 8.457 1.00 0.00 H new ATOM 0 HG CYS A 135 3.967 -6.571 9.363 1.00 0.00 H new ATOM 917 N THR A 136 0.235 -4.257 11.635 1.00 0.00 N ATOM 918 CA THR A 136 -1.067 -3.829 12.130 1.00 0.00 C ATOM 919 C THR A 136 -0.933 -2.639 13.073 1.00 0.00 C ATOM 920 O THR A 136 -1.592 -1.615 12.893 1.00 0.00 O ATOM 921 CB THR A 136 -1.792 -4.973 12.865 1.00 0.00 C ATOM 922 OG1 THR A 136 -2.091 -6.032 11.949 1.00 0.00 O ATOM 923 CG2 THR A 136 -3.077 -4.474 13.508 1.00 0.00 C ATOM 0 H THR A 136 0.454 -5.236 11.817 1.00 0.00 H new ATOM 0 HA THR A 136 -1.655 -3.535 11.260 1.00 0.00 H new ATOM 0 HB THR A 136 -1.133 -5.347 13.649 1.00 0.00 H new ATOM 0 HG1 THR A 136 -2.666 -5.692 11.232 1.00 0.00 H new ATOM 0 HG21 THR A 136 -3.571 -5.299 14.021 1.00 0.00 H new ATOM 0 HG22 THR A 136 -2.843 -3.688 14.226 1.00 0.00 H new ATOM 0 HG23 THR A 136 -3.739 -4.077 12.738 1.00 0.00 H new ATOM 931 N ASP A 137 -0.076 -2.780 14.078 1.00 0.00 N ATOM 932 CA ASP A 137 0.147 -1.715 15.048 1.00 0.00 C ATOM 933 C ASP A 137 0.834 -0.520 14.395 1.00 0.00 C ATOM 934 O ASP A 137 0.458 0.630 14.626 1.00 0.00 O ATOM 935 CB ASP A 137 0.990 -2.228 16.217 1.00 0.00 C ATOM 936 CG ASP A 137 0.699 -1.490 17.508 1.00 0.00 C ATOM 937 OD1 ASP A 137 1.205 -0.360 17.673 1.00 0.00 O ATOM 938 OD2 ASP A 137 -0.034 -2.042 18.356 1.00 0.00 O ATOM 0 H ASP A 137 0.476 -3.622 14.242 1.00 0.00 H new ATOM 0 HA ASP A 137 -0.823 -1.392 15.425 1.00 0.00 H new ATOM 0 HB2 ASP A 137 0.800 -3.292 16.359 1.00 0.00 H new ATOM 0 HB3 ASP A 137 2.047 -2.123 15.972 1.00 0.00 H new ATOM 943 N LYS A 138 1.845 -0.798 13.579 1.00 0.00 N ATOM 944 CA LYS A 138 2.586 0.253 12.892 1.00 0.00 C ATOM 945 C LYS A 138 1.652 1.117 12.051 1.00 0.00 C ATOM 946 O LYS A 138 1.724 2.345 12.090 1.00 0.00 O ATOM 947 CB LYS A 138 3.672 -0.358 12.003 1.00 0.00 C ATOM 948 CG LYS A 138 4.344 0.648 11.085 1.00 0.00 C ATOM 949 CD LYS A 138 5.170 1.654 11.871 1.00 0.00 C ATOM 950 CE LYS A 138 6.192 2.349 10.985 1.00 0.00 C ATOM 951 NZ LYS A 138 6.808 3.522 11.664 1.00 0.00 N ATOM 0 H LYS A 138 2.170 -1.743 13.377 1.00 0.00 H new ATOM 0 HA LYS A 138 3.055 0.885 13.646 1.00 0.00 H new ATOM 0 HB2 LYS A 138 4.429 -0.822 12.635 1.00 0.00 H new ATOM 0 HB3 LYS A 138 3.231 -1.151 11.399 1.00 0.00 H new ATOM 0 HG2 LYS A 138 4.985 0.124 10.376 1.00 0.00 H new ATOM 0 HG3 LYS A 138 3.587 1.173 10.502 1.00 0.00 H new ATOM 0 HD2 LYS A 138 4.510 2.397 12.319 1.00 0.00 H new ATOM 0 HD3 LYS A 138 5.681 1.147 12.689 1.00 0.00 H new ATOM 0 HE2 LYS A 138 6.972 1.641 10.705 1.00 0.00 H new ATOM 0 HE3 LYS A 138 5.711 2.675 10.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 7.499 3.968 11.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 6.067 4.210 11.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 7.289 3.208 12.531 1.00 0.00 H new ATOM 965 N TRP A 139 0.776 0.467 11.293 1.00 0.00 N ATOM 966 CA TRP A 139 -0.174 1.177 10.443 1.00 0.00 C ATOM 967 C TRP A 139 -1.039 2.125 11.267 1.00 0.00 C ATOM 968 O TRP A 139 -1.174 3.303 10.936 1.00 0.00 O ATOM 969 CB TRP A 139 -1.059 0.183 9.691 1.00 0.00 C ATOM 970 CG TRP A 139 -2.127 0.841 8.871 1.00 0.00 C ATOM 971 CD1 TRP A 139 -3.457 0.925 9.173 1.00 0.00 C ATOM 972 CD2 TRP A 139 -1.957 1.504 7.614 1.00 0.00 C ATOM 973 NE1 TRP A 139 -4.122 1.601 8.179 1.00 0.00 N ATOM 974 CE2 TRP A 139 -3.224 1.968 7.212 1.00 0.00 C ATOM 975 CE3 TRP A 139 -0.856 1.753 6.790 1.00 0.00 C ATOM 976 CZ2 TRP A 139 -3.419 2.664 6.022 1.00 0.00 C ATOM 977 CZ3 TRP A 139 -1.051 2.444 5.609 1.00 0.00 C ATOM 978 CH2 TRP A 139 -2.324 2.894 5.234 1.00 0.00 C ATOM 0 H TRP A 139 0.704 -0.549 11.249 1.00 0.00 H new ATOM 0 HA TRP A 139 0.392 1.766 9.722 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -0.434 -0.427 9.039 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -1.526 -0.492 10.408 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -3.917 0.520 10.062 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -5.123 1.798 8.164 1.00 0.00 H new ATOM 0 HE3 TRP A 139 0.129 1.412 7.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -4.400 3.010 5.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -0.207 2.641 4.964 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.443 3.433 4.305 1.00 0.00 H new ATOM 989 N ARG A 140 -1.621 1.603 12.342 1.00 0.00 N ATOM 990 CA ARG A 140 -2.474 2.403 13.213 1.00 0.00 C ATOM 991 C ARG A 140 -1.764 3.685 13.641 1.00 0.00 C ATOM 992 O ARG A 140 -2.349 4.767 13.619 1.00 0.00 O ATOM 993 CB ARG A 140 -2.880 1.596 14.447 1.00 0.00 C ATOM 994 CG ARG A 140 -4.164 0.804 14.261 1.00 0.00 C ATOM 995 CD ARG A 140 -4.276 -0.322 15.278 1.00 0.00 C ATOM 996 NE ARG A 140 -4.844 0.138 16.543 1.00 0.00 N ATOM 997 CZ ARG A 140 -4.854 -0.593 17.652 1.00 0.00 C ATOM 998 NH1 ARG A 140 -4.328 -1.810 17.653 1.00 0.00 N ATOM 999 NH2 ARG A 140 -5.389 -0.105 18.764 1.00 0.00 N ATOM 0 H ARG A 140 -1.517 0.630 12.631 1.00 0.00 H new ATOM 0 HA ARG A 140 -3.370 2.673 12.654 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -2.073 0.909 14.703 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -3.001 2.275 15.291 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -5.021 1.470 14.358 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -4.195 0.390 13.253 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -4.898 -1.119 14.870 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -3.289 -0.748 15.457 1.00 0.00 H new ATOM 0 HE ARG A 140 -5.255 1.071 16.576 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -3.914 -2.187 16.801 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -4.337 -2.369 18.506 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -5.793 0.832 18.767 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -5.397 -0.667 19.615 1.00 0.00 H new ATOM 1013 N ASN A 141 -0.500 3.553 14.030 1.00 0.00 N ATOM 1014 CA ASN A 141 0.289 4.700 14.464 1.00 0.00 C ATOM 1015 C ASN A 141 0.373 5.751 13.362 1.00 0.00 C ATOM 1016 O ASN A 141 0.241 6.949 13.619 1.00 0.00 O ATOM 1017 CB ASN A 141 1.696 4.254 14.867 1.00 0.00 C ATOM 1018 CG ASN A 141 2.295 5.136 15.945 1.00 0.00 C ATOM 1019 OD1 ASN A 141 2.698 6.270 15.683 1.00 0.00 O ATOM 1020 ND2 ASN A 141 2.357 4.619 17.167 1.00 0.00 N ATOM 0 H ASN A 141 -0.001 2.664 14.054 1.00 0.00 H new ATOM 0 HA ASN A 141 -0.206 5.144 15.328 1.00 0.00 H new ATOM 0 HB2 ASN A 141 1.660 3.224 15.222 1.00 0.00 H new ATOM 0 HB3 ASN A 141 2.343 4.266 13.990 1.00 0.00 H new ATOM 0 HD21 ASN A 141 2.750 5.166 17.933 1.00 0.00 H new ATOM 0 HD22 ASN A 141 2.011 3.675 17.340 1.00 0.00 H new ATOM 1027 N LEU A 142 0.593 5.296 12.133 1.00 0.00 N ATOM 1028 CA LEU A 142 0.694 6.196 10.990 1.00 0.00 C ATOM 1029 C LEU A 142 -0.576 7.027 10.837 1.00 0.00 C ATOM 1030 O LEU A 142 -0.517 8.227 10.564 1.00 0.00 O ATOM 1031 CB LEU A 142 0.953 5.400 9.710 1.00 0.00 C ATOM 1032 CG LEU A 142 2.317 4.714 9.610 1.00 0.00 C ATOM 1033 CD1 LEU A 142 2.342 3.745 8.439 1.00 0.00 C ATOM 1034 CD2 LEU A 142 3.425 5.748 9.473 1.00 0.00 C ATOM 0 H LEU A 142 0.705 4.309 11.903 1.00 0.00 H new ATOM 0 HA LEU A 142 1.530 6.873 11.165 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.178 4.639 9.616 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.844 6.073 8.859 1.00 0.00 H new ATOM 0 HG LEU A 142 2.486 4.149 10.526 1.00 0.00 H new ATOM 0 HD11 LEU A 142 3.320 3.267 8.383 1.00 0.00 H new ATOM 0 HD12 LEU A 142 1.573 2.985 8.579 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.151 4.288 7.513 1.00 0.00 H new ATOM 0 HD21 LEU A 142 4.388 5.242 9.403 1.00 0.00 H new ATOM 0 HD22 LEU A 142 3.260 6.341 8.573 1.00 0.00 H new ATOM 0 HD23 LEU A 142 3.421 6.403 10.344 1.00 0.00 H new ATOM 1046 N LEU A 143 -1.723 6.382 11.017 1.00 0.00 N ATOM 1047 CA LEU A 143 -3.009 7.062 10.902 1.00 0.00 C ATOM 1048 C LEU A 143 -3.124 8.187 11.925 1.00 0.00 C ATOM 1049 O LEU A 143 -3.627 9.269 11.621 1.00 0.00 O ATOM 1050 CB LEU A 143 -4.154 6.065 11.092 1.00 0.00 C ATOM 1051 CG LEU A 143 -4.092 4.800 10.235 1.00 0.00 C ATOM 1052 CD1 LEU A 143 -5.201 3.836 10.626 1.00 0.00 C ATOM 1053 CD2 LEU A 143 -4.185 5.152 8.757 1.00 0.00 C ATOM 0 H LEU A 143 -1.789 5.390 11.243 1.00 0.00 H new ATOM 0 HA LEU A 143 -3.075 7.496 9.904 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -4.181 5.768 12.141 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -5.093 6.577 10.882 1.00 0.00 H new ATOM 0 HG LEU A 143 -3.134 4.311 10.412 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -5.141 2.942 10.006 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -5.089 3.559 11.674 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -6.169 4.316 10.479 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -4.139 4.240 8.162 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -5.127 5.664 8.564 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -3.355 5.804 8.485 1.00 0.00 H new ATOM 1065 N LYS A 144 -2.652 7.926 13.139 1.00 0.00 N ATOM 1066 CA LYS A 144 -2.698 8.917 14.208 1.00 0.00 C ATOM 1067 C LYS A 144 -1.875 10.148 13.844 1.00 0.00 C ATOM 1068 O LYS A 144 -2.364 11.275 13.914 1.00 0.00 O ATOM 1069 CB LYS A 144 -2.180 8.312 15.515 1.00 0.00 C ATOM 1070 CG LYS A 144 -2.811 8.916 16.757 1.00 0.00 C ATOM 1071 CD LYS A 144 -2.272 10.310 17.034 1.00 0.00 C ATOM 1072 CE LYS A 144 -0.864 10.260 17.607 1.00 0.00 C ATOM 1073 NZ LYS A 144 -0.356 11.617 17.950 1.00 0.00 N ATOM 0 H LYS A 144 -2.233 7.036 13.408 1.00 0.00 H new ATOM 0 HA LYS A 144 -3.736 9.222 14.342 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -2.368 7.238 15.508 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -1.099 8.446 15.565 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -3.893 8.961 16.631 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -2.616 8.272 17.615 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -2.270 10.890 16.111 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -2.932 10.824 17.733 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -0.857 9.634 18.499 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -0.194 9.793 16.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 0.606 11.540 18.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -0.338 12.208 17.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -0.980 12.053 18.658 1.00 0.00 H new ATOM 1087 N GLU A 145 -0.624 9.924 13.454 1.00 0.00 N ATOM 1088 CA GLU A 145 0.265 11.017 13.078 1.00 0.00 C ATOM 1089 C GLU A 145 -0.233 11.714 11.815 1.00 0.00 C ATOM 1090 O GLU A 145 -0.114 12.932 11.677 1.00 0.00 O ATOM 1091 CB GLU A 145 1.687 10.495 12.860 1.00 0.00 C ATOM 1092 CG GLU A 145 1.856 9.712 11.568 1.00 0.00 C ATOM 1093 CD GLU A 145 3.307 9.393 11.266 1.00 0.00 C ATOM 1094 OE1 GLU A 145 3.893 8.556 11.984 1.00 0.00 O ATOM 1095 OE2 GLU A 145 3.856 9.980 10.310 1.00 0.00 O ATOM 0 H GLU A 145 -0.204 8.997 13.390 1.00 0.00 H new ATOM 0 HA GLU A 145 0.273 11.742 13.892 1.00 0.00 H new ATOM 0 HB2 GLU A 145 2.378 11.338 12.857 1.00 0.00 H new ATOM 0 HB3 GLU A 145 1.964 9.858 13.700 1.00 0.00 H new ATOM 0 HG2 GLU A 145 1.290 8.783 11.634 1.00 0.00 H new ATOM 0 HG3 GLU A 145 1.434 10.285 10.742 1.00 0.00 H new