USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 287 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 392 THR OG1 : rot 180:sc= 0.0212 USER MOD Set 1.2: A 394 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 388 ASN : amide:sc= 0.984 K(o=1.9,f=0.59) USER MOD Set 2.2: A 390 THR OG1 : rot -165:sc= 0.897 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ 168:sc= -0.0168 (180deg=-0.176) USER MOD Single : A 378 LYS NZ :NH3+ -150:sc= -0.109 (180deg=-0.649) USER MOD Single : A 381 THR OG1 : rot 170:sc= -2.16! USER MOD Single : A 382 TYR OH : rot 60:sc= 1.43 USER MOD Single : A 383 TYR OH : rot 180:sc= -0.397 USER MOD Single : A 385 ASN : amide:sc= -6.54! C(o=-6.5!,f=-4.5!) USER MOD Single : A 386 HIS : no HD1:sc= -4.93! C(o=-4.9!,f=-9.7!) USER MOD Single : A 387 ASN : amide:sc= -1.05! K(o=-1.1!,f=-0.45) USER MOD Single : A 391 THR OG1 : rot 87:sc= -0.302! USER MOD Single : B 184 TYR OH : rot 180:sc= -2.53! USER MOD Single : B 186 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 368 8.134 -2.940 3.222 1.00 15.00 N ATOM 28 CA PRO A 368 8.258 -2.911 4.660 1.00 15.00 C ATOM 29 C PRO A 368 7.230 -3.818 5.325 1.00 15.00 C ATOM 30 O PRO A 368 6.031 -3.762 5.035 1.00 15.00 O ATOM 31 CB PRO A 368 7.945 -1.459 4.991 1.00 15.00 C ATOM 32 CG PRO A 368 6.930 -1.085 3.978 1.00 15.00 C ATOM 33 CD PRO A 368 7.284 -1.859 2.739 1.00 15.00 C ATOM 0 HA PRO A 368 9.234 -3.253 5.005 1.00 15.00 H new ATOM 0 HB2 PRO A 368 7.559 -1.353 6.005 1.00 15.00 H new ATOM 0 HB3 PRO A 368 8.833 -0.831 4.921 1.00 15.00 H new ATOM 0 HG2 PRO A 368 5.926 -1.333 4.321 1.00 15.00 H new ATOM 0 HG3 PRO A 368 6.945 -0.012 3.787 1.00 15.00 H new ATOM 0 HD2 PRO A 368 6.394 -2.244 2.242 1.00 15.00 H new ATOM 0 HD3 PRO A 368 7.807 -1.234 2.015 1.00 15.00 H new ATOM 41 N SER A 369 7.710 -4.651 6.207 1.00 15.00 N ATOM 42 CA SER A 369 6.861 -5.566 6.941 1.00 15.00 C ATOM 43 C SER A 369 5.988 -4.790 7.931 1.00 15.00 C ATOM 44 O SER A 369 6.507 -4.060 8.776 1.00 15.00 O ATOM 45 CB SER A 369 7.729 -6.558 7.695 1.00 15.00 C ATOM 46 OG SER A 369 8.567 -7.280 6.806 1.00 15.00 O ATOM 0 H SER A 369 8.700 -4.719 6.442 1.00 15.00 H new ATOM 0 HA SER A 369 6.216 -6.099 6.243 1.00 15.00 H new ATOM 0 HB2 SER A 369 8.339 -6.029 8.427 1.00 15.00 H new ATOM 0 HB3 SER A 369 7.097 -7.252 8.249 1.00 15.00 H new ATOM 0 HG SER A 369 9.117 -7.911 7.315 1.00 15.00 H new ATOM 52 N GLY A 370 4.674 -4.934 7.823 1.00 15.00 N ATOM 53 CA GLY A 370 3.783 -4.195 8.681 1.00 15.00 C ATOM 54 C GLY A 370 2.638 -3.639 7.883 1.00 15.00 C ATOM 55 O GLY A 370 1.636 -3.183 8.430 1.00 15.00 O ATOM 0 H GLY A 370 4.213 -5.551 7.154 1.00 15.00 H new ATOM 0 HA2 GLY A 370 3.404 -4.844 9.470 1.00 15.00 H new ATOM 0 HA3 GLY A 370 4.324 -3.384 9.168 1.00 15.00 H new ATOM 59 N TRP A 371 2.835 -3.591 6.577 1.00 15.00 N ATOM 60 CA TRP A 371 1.777 -3.316 5.652 1.00 15.00 C ATOM 61 C TRP A 371 1.486 -4.553 4.824 1.00 15.00 C ATOM 62 O TRP A 371 2.303 -5.470 4.765 1.00 15.00 O ATOM 63 CB TRP A 371 2.209 -2.217 4.701 1.00 15.00 C ATOM 64 CG TRP A 371 2.857 -1.026 5.338 1.00 15.00 C ATOM 65 CD1 TRP A 371 3.554 -0.953 6.501 1.00 15.00 C ATOM 66 CD2 TRP A 371 2.849 0.271 4.803 1.00 15.00 C ATOM 67 NE1 TRP A 371 4.013 0.318 6.692 1.00 15.00 N ATOM 68 CE2 TRP A 371 3.576 1.104 5.658 1.00 15.00 C ATOM 69 CE3 TRP A 371 2.286 0.782 3.669 1.00 15.00 C ATOM 70 CZ2 TRP A 371 3.751 2.461 5.397 1.00 15.00 C ATOM 71 CZ3 TRP A 371 2.440 2.129 3.390 1.00 15.00 C ATOM 72 CH2 TRP A 371 3.170 2.960 4.256 1.00 15.00 C ATOM 0 H TRP A 371 3.743 -3.744 6.137 1.00 15.00 H new ATOM 0 HA TRP A 371 0.892 -3.015 6.213 1.00 15.00 H new ATOM 0 HB2 TRP A 371 2.903 -2.641 3.976 1.00 15.00 H new ATOM 0 HB3 TRP A 371 1.335 -1.878 4.145 1.00 15.00 H new ATOM 0 HD1 TRP A 371 3.721 -1.780 7.176 1.00 15.00 H new ATOM 0 HE1 TRP A 371 4.587 0.631 7.475 1.00 15.00 H new ATOM 0 HE3 TRP A 371 1.728 0.144 2.999 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 4.319 3.094 6.063 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 1.995 2.545 2.498 1.00 15.00 H new ATOM 0 HH2 TRP A 371 3.276 4.009 4.021 1.00 15.00 H new ATOM 83 N GLU A 372 0.342 -4.571 4.164 1.00 15.00 N ATOM 84 CA GLU A 372 0.104 -5.573 3.142 1.00 15.00 C ATOM 85 C GLU A 372 0.208 -4.887 1.789 1.00 15.00 C ATOM 86 O GLU A 372 -0.174 -3.724 1.657 1.00 15.00 O ATOM 87 CB GLU A 372 -1.265 -6.274 3.289 1.00 15.00 C ATOM 88 CG GLU A 372 -1.615 -6.685 4.710 1.00 15.00 C ATOM 89 CD GLU A 372 -0.520 -7.483 5.387 1.00 15.00 C ATOM 90 OE1 GLU A 372 -0.012 -8.453 4.783 1.00 15.00 O1- ATOM 91 OE2 GLU A 372 -0.154 -7.131 6.530 1.00 15.00 O ATOM 0 H GLU A 372 -0.425 -3.915 4.314 1.00 15.00 H new ATOM 0 HA GLU A 372 0.851 -6.360 3.245 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -2.042 -5.607 2.916 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -1.274 -7.161 2.655 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -1.822 -5.792 5.299 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.531 -7.276 4.695 1.00 15.00 H new ATOM 98 N GLU A 373 0.743 -5.569 0.793 1.00 15.00 N ATOM 99 CA GLU A 373 0.858 -4.967 -0.525 1.00 15.00 C ATOM 100 C GLU A 373 -0.071 -5.625 -1.513 1.00 15.00 C ATOM 101 O GLU A 373 -0.360 -6.820 -1.427 1.00 15.00 O ATOM 102 CB GLU A 373 2.273 -5.026 -1.078 1.00 15.00 C ATOM 103 CG GLU A 373 2.848 -6.427 -1.173 1.00 15.00 C ATOM 104 CD GLU A 373 4.005 -6.523 -2.152 1.00 15.00 C ATOM 105 OE1 GLU A 373 4.352 -5.502 -2.788 1.00 15.00 O ATOM 106 OE2 GLU A 373 4.561 -7.634 -2.305 1.00 15.00 O1- ATOM 0 H GLU A 373 1.099 -6.522 0.866 1.00 15.00 H new ATOM 0 HA GLU A 373 0.581 -3.921 -0.393 1.00 15.00 H new ATOM 0 HB2 GLU A 373 2.282 -4.574 -2.070 1.00 15.00 H new ATOM 0 HB3 GLU A 373 2.923 -4.421 -0.446 1.00 15.00 H new ATOM 0 HG2 GLU A 373 3.186 -6.744 -0.186 1.00 15.00 H new ATOM 0 HG3 GLU A 373 2.062 -7.118 -1.478 1.00 15.00 H new ATOM 113 N ARG A 374 -0.494 -4.839 -2.475 1.00 15.00 N ATOM 114 CA ARG A 374 -1.381 -5.316 -3.523 1.00 15.00 C ATOM 115 C ARG A 374 -1.139 -4.571 -4.825 1.00 15.00 C ATOM 116 O ARG A 374 -1.395 -3.369 -4.931 1.00 15.00 O ATOM 117 CB ARG A 374 -2.861 -5.196 -3.129 1.00 15.00 C ATOM 118 CG ARG A 374 -3.345 -6.313 -2.216 1.00 15.00 C ATOM 119 CD ARG A 374 -4.842 -6.544 -2.364 1.00 15.00 C ATOM 120 NE ARG A 374 -5.638 -5.433 -1.860 1.00 15.00 N ATOM 121 CZ ARG A 374 -6.766 -5.002 -2.434 1.00 15.00 C ATOM 122 NH1 ARG A 374 -7.203 -5.561 -3.558 1.00 15.00 N1+ ATOM 123 NH2 ARG A 374 -7.448 -4.003 -1.893 1.00 15.00 N ATOM 0 H ARG A 374 -0.238 -3.855 -2.558 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.153 -6.372 -3.665 1.00 15.00 H new ATOM 0 HB2 ARG A 374 -3.019 -4.239 -2.632 1.00 15.00 H new ATOM 0 HB3 ARG A 374 -3.469 -5.189 -4.034 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -2.809 -7.233 -2.449 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -3.115 -6.063 -1.180 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -5.078 -6.706 -3.416 1.00 15.00 H new ATOM 0 HD3 ARG A 374 -5.119 -7.454 -1.832 1.00 15.00 H new ATOM 0 HE ARG A 374 -5.315 -4.955 -1.019 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -6.677 -6.323 -3.987 1.00 15.00 H new ATOM 0 HH12 ARG A 374 -8.064 -5.228 -3.992 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -7.113 -3.561 -1.037 1.00 15.00 H new ATOM 0 HH22 ARG A 374 -8.308 -3.676 -2.333 1.00 15.00 H new ATOM 137 N LYS A 375 -0.609 -5.288 -5.801 1.00 15.00 N ATOM 138 CA LYS A 375 -0.501 -4.776 -7.150 1.00 15.00 C ATOM 139 C LYS A 375 -1.775 -5.155 -7.888 1.00 15.00 C ATOM 140 O LYS A 375 -1.938 -6.304 -8.300 1.00 15.00 O ATOM 141 CB LYS A 375 0.733 -5.373 -7.842 1.00 15.00 C ATOM 142 CG LYS A 375 1.329 -4.513 -8.948 1.00 15.00 C ATOM 143 CD LYS A 375 0.380 -4.316 -10.119 1.00 15.00 C ATOM 144 CE LYS A 375 0.994 -3.419 -11.183 1.00 15.00 C ATOM 145 NZ LYS A 375 2.233 -4.001 -11.759 1.00 15.00 N1+ ATOM 0 H LYS A 375 -0.245 -6.233 -5.679 1.00 15.00 H new ATOM 0 HA LYS A 375 -0.382 -3.693 -7.146 1.00 15.00 H new ATOM 0 HB2 LYS A 375 1.501 -5.554 -7.090 1.00 15.00 H new ATOM 0 HB3 LYS A 375 0.463 -6.342 -8.262 1.00 15.00 H new ATOM 0 HG2 LYS A 375 1.600 -3.540 -8.539 1.00 15.00 H new ATOM 0 HG3 LYS A 375 2.249 -4.976 -9.306 1.00 15.00 H new ATOM 0 HD2 LYS A 375 0.131 -5.284 -10.555 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -0.553 -3.877 -9.764 1.00 15.00 H new ATOM 0 HE2 LYS A 375 0.268 -3.253 -11.979 1.00 15.00 H new ATOM 0 HE3 LYS A 375 1.220 -2.445 -10.749 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 2.504 -3.468 -12.610 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 3.000 -3.948 -11.058 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 2.064 -4.995 -12.013 1.00 15.00 H new ATOM 159 N ASP A 376 -2.699 -4.214 -8.014 1.00 15.00 N ATOM 160 CA ASP A 376 -4.007 -4.535 -8.561 1.00 15.00 C ATOM 161 C ASP A 376 -4.012 -4.359 -10.075 1.00 15.00 C ATOM 162 O ASP A 376 -3.414 -3.408 -10.602 1.00 15.00 O ATOM 163 CB ASP A 376 -5.091 -3.664 -7.929 1.00 15.00 C ATOM 164 CG ASP A 376 -6.475 -4.234 -8.170 1.00 15.00 C ATOM 165 OD1 ASP A 376 -6.977 -4.126 -9.309 1.00 15.00 O1- ATOM 166 OD2 ASP A 376 -7.051 -4.821 -7.233 1.00 15.00 O ATOM 0 H ASP A 376 -2.570 -3.237 -7.749 1.00 15.00 H new ATOM 0 HA ASP A 376 -4.222 -5.578 -8.327 1.00 15.00 H new ATOM 0 HB2 ASP A 376 -4.913 -3.581 -6.857 1.00 15.00 H new ATOM 0 HB3 ASP A 376 -5.035 -2.656 -8.341 1.00 15.00 H new ATOM 171 N ALA A 377 -4.740 -5.246 -10.759 1.00 15.00 N ATOM 172 CA ALA A 377 -4.740 -5.318 -12.214 1.00 15.00 C ATOM 173 C ALA A 377 -5.321 -4.066 -12.862 1.00 15.00 C ATOM 174 O ALA A 377 -5.183 -3.872 -14.070 1.00 15.00 O ATOM 175 CB ALA A 377 -5.504 -6.550 -12.670 1.00 15.00 C ATOM 0 H ALA A 377 -5.346 -5.935 -10.313 1.00 15.00 H new ATOM 0 HA ALA A 377 -3.701 -5.388 -12.536 1.00 15.00 H new ATOM 0 HB1 ALA A 377 -5.500 -6.598 -13.759 1.00 15.00 H new ATOM 0 HB2 ALA A 377 -5.028 -7.443 -12.266 1.00 15.00 H new ATOM 0 HB3 ALA A 377 -6.532 -6.493 -12.313 1.00 15.00 H new ATOM 181 N LYS A 378 -5.967 -3.210 -12.071 1.00 15.00 N ATOM 182 CA LYS A 378 -6.465 -1.941 -12.591 1.00 15.00 C ATOM 183 C LYS A 378 -5.313 -0.972 -12.880 1.00 15.00 C ATOM 184 O LYS A 378 -5.529 0.142 -13.340 1.00 15.00 O ATOM 185 CB LYS A 378 -7.515 -1.311 -11.655 1.00 15.00 C ATOM 186 CG LYS A 378 -7.189 -1.347 -10.163 1.00 15.00 C ATOM 187 CD LYS A 378 -6.153 -0.314 -9.759 1.00 15.00 C ATOM 188 CE LYS A 378 -6.351 0.112 -8.312 1.00 15.00 C ATOM 189 NZ LYS A 378 -7.640 0.829 -8.126 1.00 15.00 N1+ ATOM 0 H LYS A 378 -6.155 -3.370 -11.081 1.00 15.00 H new ATOM 0 HA LYS A 378 -6.967 -2.150 -13.536 1.00 15.00 H new ATOM 0 HB2 LYS A 378 -7.659 -0.272 -11.950 1.00 15.00 H new ATOM 0 HB3 LYS A 378 -8.465 -1.821 -11.812 1.00 15.00 H new ATOM 0 HG2 LYS A 378 -8.103 -1.180 -9.593 1.00 15.00 H new ATOM 0 HG3 LYS A 378 -6.826 -2.340 -9.900 1.00 15.00 H new ATOM 0 HD2 LYS A 378 -5.152 -0.726 -9.888 1.00 15.00 H new ATOM 0 HD3 LYS A 378 -6.226 0.556 -10.412 1.00 15.00 H new ATOM 0 HE2 LYS A 378 -6.326 -0.766 -7.667 1.00 15.00 H new ATOM 0 HE3 LYS A 378 -5.527 0.757 -8.006 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 -7.546 1.517 -7.351 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 -7.889 1.328 -9.004 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 -8.387 0.145 -7.893 1.00 15.00 H new ATOM 203 N GLY A 379 -4.089 -1.420 -12.619 1.00 15.00 N ATOM 204 CA GLY A 379 -2.917 -0.660 -13.012 1.00 15.00 C ATOM 205 C GLY A 379 -2.458 0.313 -11.951 1.00 15.00 C ATOM 206 O GLY A 379 -1.907 1.370 -12.265 1.00 15.00 O ATOM 0 H GLY A 379 -3.888 -2.298 -12.141 1.00 15.00 H new ATOM 0 HA2 GLY A 379 -2.104 -1.349 -13.240 1.00 15.00 H new ATOM 0 HA3 GLY A 379 -3.137 -0.112 -13.928 1.00 15.00 H new ATOM 210 N ARG A 380 -2.662 -0.044 -10.696 1.00 15.00 N ATOM 211 CA ARG A 380 -2.272 0.812 -9.583 1.00 15.00 C ATOM 212 C ARG A 380 -1.850 -0.031 -8.378 1.00 15.00 C ATOM 213 O ARG A 380 -2.609 -0.884 -7.912 1.00 15.00 O ATOM 214 CB ARG A 380 -3.416 1.772 -9.217 1.00 15.00 C ATOM 215 CG ARG A 380 -3.388 3.103 -9.971 1.00 15.00 C ATOM 216 CD ARG A 380 -4.735 3.833 -9.916 1.00 15.00 C ATOM 217 NE ARG A 380 -5.687 3.307 -10.904 1.00 15.00 N ATOM 218 CZ ARG A 380 -5.514 3.341 -12.235 1.00 15.00 C ATOM 219 NH1 ARG A 380 -4.421 3.864 -12.773 1.00 15.00 N1+ ATOM 220 NH2 ARG A 380 -6.441 2.847 -13.041 1.00 15.00 N ATOM 0 H ARG A 380 -3.097 -0.924 -10.418 1.00 15.00 H new ATOM 0 HA ARG A 380 -1.414 1.411 -9.888 1.00 15.00 H new ATOM 0 HB2 ARG A 380 -4.367 1.277 -9.413 1.00 15.00 H new ATOM 0 HB3 ARG A 380 -3.377 1.974 -8.147 1.00 15.00 H new ATOM 0 HG2 ARG A 380 -2.614 3.742 -9.546 1.00 15.00 H new ATOM 0 HG3 ARG A 380 -3.117 2.923 -11.011 1.00 15.00 H new ATOM 0 HD2 ARG A 380 -5.159 3.736 -8.917 1.00 15.00 H new ATOM 0 HD3 ARG A 380 -4.578 4.897 -10.094 1.00 15.00 H new ATOM 0 HE ARG A 380 -6.545 2.883 -10.552 1.00 15.00 H new ATOM 0 HH11 ARG A 380 -3.692 4.250 -12.173 1.00 15.00 H new ATOM 0 HH12 ARG A 380 -4.309 3.880 -13.787 1.00 15.00 H new ATOM 0 HH21 ARG A 380 -7.291 2.439 -12.651 1.00 15.00 H new ATOM 0 HH22 ARG A 380 -6.306 2.875 -14.052 1.00 15.00 H new ATOM 234 N THR A 381 -0.636 0.208 -7.886 1.00 15.00 N ATOM 235 CA THR A 381 -0.066 -0.563 -6.785 1.00 15.00 C ATOM 236 C THR A 381 -0.138 0.242 -5.494 1.00 15.00 C ATOM 237 O THR A 381 0.301 1.391 -5.461 1.00 15.00 O ATOM 238 CB THR A 381 1.408 -0.896 -7.081 1.00 15.00 C ATOM 239 OG1 THR A 381 1.523 -1.483 -8.384 1.00 15.00 O ATOM 240 CG2 THR A 381 1.989 -1.840 -6.036 1.00 15.00 C ATOM 0 H THR A 381 -0.021 0.941 -8.239 1.00 15.00 H new ATOM 0 HA THR A 381 -0.636 -1.486 -6.677 1.00 15.00 H new ATOM 0 HB THR A 381 1.975 0.034 -7.046 1.00 15.00 H new ATOM 0 HG1 THR A 381 2.469 -1.544 -8.633 1.00 15.00 H new ATOM 0 HG21 THR A 381 3.030 -2.053 -6.277 1.00 15.00 H new ATOM 0 HG22 THR A 381 1.932 -1.373 -5.053 1.00 15.00 H new ATOM 0 HG23 THR A 381 1.421 -2.770 -6.030 1.00 15.00 H new ATOM 248 N TYR A 382 -0.681 -0.342 -4.434 1.00 15.00 N ATOM 249 CA TYR A 382 -0.845 0.402 -3.195 1.00 15.00 C ATOM 250 C TYR A 382 -0.464 -0.450 -1.990 1.00 15.00 C ATOM 251 O TYR A 382 -0.592 -1.677 -2.014 1.00 15.00 O ATOM 252 CB TYR A 382 -2.278 0.918 -3.061 1.00 15.00 C ATOM 253 CG TYR A 382 -3.241 0.001 -2.356 1.00 15.00 C ATOM 254 CD1 TYR A 382 -3.623 -1.229 -2.879 1.00 15.00 C ATOM 255 CD2 TYR A 382 -3.778 0.395 -1.151 1.00 15.00 C ATOM 256 CE1 TYR A 382 -4.519 -2.036 -2.201 1.00 15.00 C ATOM 257 CE2 TYR A 382 -4.667 -0.392 -0.472 1.00 15.00 C ATOM 258 CZ TYR A 382 -5.039 -1.610 -0.993 1.00 15.00 C ATOM 259 OH TYR A 382 -5.936 -2.399 -0.312 1.00 15.00 O ATOM 0 H TYR A 382 -1.009 -1.308 -4.406 1.00 15.00 H new ATOM 0 HA TYR A 382 -0.173 1.260 -3.226 1.00 15.00 H new ATOM 0 HB2 TYR A 382 -2.254 1.868 -2.527 1.00 15.00 H new ATOM 0 HB3 TYR A 382 -2.665 1.123 -4.059 1.00 15.00 H new ATOM 0 HD1 TYR A 382 -3.216 -1.558 -3.824 1.00 15.00 H new ATOM 0 HD2 TYR A 382 -3.490 1.348 -0.732 1.00 15.00 H new ATOM 0 HE1 TYR A 382 -4.810 -2.991 -2.612 1.00 15.00 H new ATOM 0 HE2 TYR A 382 -5.076 -0.058 0.470 1.00 15.00 H new ATOM 0 HH TYR A 382 -5.520 -3.261 -0.101 1.00 15.00 H new ATOM 269 N TYR A 383 0.014 0.211 -0.945 1.00 15.00 N ATOM 270 CA TYR A 383 0.441 -0.468 0.269 1.00 15.00 C ATOM 271 C TYR A 383 -0.377 0.027 1.464 1.00 15.00 C ATOM 272 O TYR A 383 -0.583 1.231 1.624 1.00 15.00 O ATOM 273 CB TYR A 383 1.936 -0.221 0.489 1.00 15.00 C ATOM 274 CG TYR A 383 2.752 -0.435 -0.762 1.00 15.00 C ATOM 275 CD1 TYR A 383 3.240 -1.692 -1.097 1.00 15.00 C ATOM 276 CD2 TYR A 383 3.006 0.621 -1.632 1.00 15.00 C ATOM 277 CE1 TYR A 383 3.962 -1.887 -2.256 1.00 15.00 C ATOM 278 CE2 TYR A 383 3.719 0.429 -2.795 1.00 15.00 C ATOM 279 CZ TYR A 383 4.194 -0.827 -3.102 1.00 15.00 C ATOM 280 OH TYR A 383 4.896 -1.024 -4.264 1.00 15.00 O ATOM 0 H TYR A 383 0.116 1.225 -0.915 1.00 15.00 H new ATOM 0 HA TYR A 383 0.274 -1.540 0.167 1.00 15.00 H new ATOM 0 HB2 TYR A 383 2.083 0.799 0.844 1.00 15.00 H new ATOM 0 HB3 TYR A 383 2.299 -0.886 1.273 1.00 15.00 H new ATOM 0 HD1 TYR A 383 3.051 -2.528 -0.440 1.00 15.00 H new ATOM 0 HD2 TYR A 383 2.638 1.607 -1.391 1.00 15.00 H new ATOM 0 HE1 TYR A 383 4.344 -2.868 -2.498 1.00 15.00 H new ATOM 0 HE2 TYR A 383 3.904 1.258 -3.462 1.00 15.00 H new ATOM 0 HH TYR A 383 4.972 -0.175 -4.748 1.00 15.00 H new ATOM 290 N VAL A 384 -0.830 -0.900 2.306 1.00 15.00 N ATOM 291 CA VAL A 384 -1.731 -0.571 3.412 1.00 15.00 C ATOM 292 C VAL A 384 -1.028 -0.663 4.757 1.00 15.00 C ATOM 293 O VAL A 384 -0.675 -1.750 5.195 1.00 15.00 O ATOM 294 CB VAL A 384 -2.937 -1.525 3.452 1.00 15.00 C ATOM 295 CG1 VAL A 384 -4.226 -0.751 3.325 1.00 15.00 C ATOM 296 CG2 VAL A 384 -2.833 -2.574 2.368 1.00 15.00 C ATOM 0 H VAL A 384 -0.587 -1.889 2.244 1.00 15.00 H new ATOM 0 HA VAL A 384 -2.063 0.452 3.237 1.00 15.00 H new ATOM 0 HB VAL A 384 -2.935 -2.036 4.415 1.00 15.00 H new ATOM 0 HG11 VAL A 384 -5.069 -1.441 3.355 1.00 15.00 H new ATOM 0 HG12 VAL A 384 -4.308 -0.042 4.149 1.00 15.00 H new ATOM 0 HG13 VAL A 384 -4.234 -0.210 2.379 1.00 15.00 H new ATOM 0 HG21 VAL A 384 -3.698 -3.236 2.418 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -2.804 -2.088 1.393 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -1.922 -3.156 2.511 1.00 15.00 H new ATOM 306 N ASN A 385 -0.864 0.462 5.438 1.00 15.00 N ATOM 307 CA ASN A 385 -0.137 0.476 6.703 1.00 15.00 C ATOM 308 C ASN A 385 -1.080 0.297 7.897 1.00 15.00 C ATOM 309 O ASN A 385 -1.984 1.102 8.080 1.00 15.00 O ATOM 310 CB ASN A 385 0.604 1.797 6.886 1.00 15.00 C ATOM 311 CG ASN A 385 1.409 1.801 8.168 1.00 15.00 C ATOM 312 OD1 ASN A 385 1.572 2.830 8.810 1.00 15.00 O ATOM 313 ND2 ASN A 385 1.927 0.640 8.542 1.00 15.00 N ATOM 0 H ASN A 385 -1.220 1.370 5.141 1.00 15.00 H new ATOM 0 HA ASN A 385 0.568 -0.354 6.667 1.00 15.00 H new ATOM 0 HB2 ASN A 385 1.267 1.966 6.037 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -0.111 2.619 6.900 1.00 15.00 H new ATOM 0 HD21 ASN A 385 2.485 0.581 9.394 1.00 15.00 H new ATOM 0 HD22 ASN A 385 1.767 -0.195 7.978 1.00 15.00 H new ATOM 320 N HIS A 386 -0.846 -0.720 8.740 1.00 15.00 N ATOM 321 CA HIS A 386 -1.729 -0.981 9.889 1.00 15.00 C ATOM 322 C HIS A 386 -1.308 -0.120 11.054 1.00 15.00 C ATOM 323 O HIS A 386 -2.019 0.040 12.038 1.00 15.00 O ATOM 324 CB HIS A 386 -1.716 -2.464 10.317 1.00 15.00 C ATOM 325 CG HIS A 386 -1.466 -3.383 9.176 1.00 15.00 C ATOM 326 ND1 HIS A 386 -1.710 -2.989 7.895 1.00 15.00 N ATOM 327 CD2 HIS A 386 -0.828 -4.571 9.090 1.00 15.00 C ATOM 328 CE1 HIS A 386 -1.222 -3.855 7.070 1.00 15.00 C ATOM 329 NE2 HIS A 386 -0.687 -4.844 7.754 1.00 15.00 N ATOM 0 H HIS A 386 -0.064 -1.368 8.651 1.00 15.00 H new ATOM 0 HA HIS A 386 -2.746 -0.737 9.581 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -0.947 -2.613 11.075 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -2.671 -2.714 10.778 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -0.494 -5.185 9.913 1.00 15.00 H new ATOM 0 HE1 HIS A 386 -1.249 -3.780 5.993 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.243 -5.672 7.358 1.00 15.00 H new ATOM 338 N ASN A 387 -0.121 0.411 10.911 1.00 15.00 N ATOM 339 CA ASN A 387 0.550 1.140 11.953 1.00 15.00 C ATOM 340 C ASN A 387 0.007 2.571 12.035 1.00 15.00 C ATOM 341 O ASN A 387 -0.008 3.181 13.102 1.00 15.00 O ATOM 342 CB ASN A 387 2.042 1.086 11.612 1.00 15.00 C ATOM 343 CG ASN A 387 2.995 1.643 12.676 1.00 15.00 C ATOM 344 OD1 ASN A 387 4.131 1.189 12.777 1.00 15.00 O ATOM 345 ND2 ASN A 387 2.561 2.612 13.467 1.00 15.00 N ATOM 0 H ASN A 387 0.417 0.346 10.047 1.00 15.00 H new ATOM 0 HA ASN A 387 0.381 0.708 12.939 1.00 15.00 H new ATOM 0 HB2 ASN A 387 2.313 0.048 11.418 1.00 15.00 H new ATOM 0 HB3 ASN A 387 2.203 1.636 10.685 1.00 15.00 H new ATOM 0 HD21 ASN A 387 3.176 3.000 14.182 1.00 15.00 H new ATOM 0 HD22 ASN A 387 1.612 2.970 13.361 1.00 15.00 H new ATOM 352 N ASN A 388 -0.443 3.098 10.903 1.00 15.00 N ATOM 353 CA ASN A 388 -0.981 4.455 10.853 1.00 15.00 C ATOM 354 C ASN A 388 -2.440 4.451 10.398 1.00 15.00 C ATOM 355 O ASN A 388 -3.143 5.450 10.544 1.00 15.00 O ATOM 356 CB ASN A 388 -0.135 5.339 9.923 1.00 15.00 C ATOM 357 CG ASN A 388 -0.532 6.807 9.984 1.00 15.00 C ATOM 358 OD1 ASN A 388 -0.058 7.552 10.839 1.00 15.00 O ATOM 359 ND2 ASN A 388 -1.381 7.241 9.064 1.00 15.00 N ATOM 0 H ASN A 388 -0.447 2.609 10.008 1.00 15.00 H new ATOM 0 HA ASN A 388 -0.939 4.869 11.861 1.00 15.00 H new ATOM 0 HB2 ASN A 388 0.917 5.240 10.192 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -0.236 4.982 8.898 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -1.661 8.222 9.050 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -1.755 6.594 8.369 1.00 15.00 H new ATOM 366 N ARG A 389 -2.880 3.314 9.843 1.00 15.00 N ATOM 367 CA ARG A 389 -4.212 3.189 9.238 1.00 15.00 C ATOM 368 C ARG A 389 -4.263 3.953 7.919 1.00 15.00 C ATOM 369 O ARG A 389 -4.895 5.005 7.821 1.00 15.00 O ATOM 370 CB ARG A 389 -5.341 3.666 10.176 1.00 15.00 C ATOM 371 CG ARG A 389 -5.712 2.687 11.286 1.00 15.00 C ATOM 372 CD ARG A 389 -4.633 2.575 12.351 1.00 15.00 C ATOM 373 NE ARG A 389 -4.930 1.513 13.310 1.00 15.00 N ATOM 374 CZ ARG A 389 -4.100 1.117 14.275 1.00 15.00 C ATOM 375 NH1 ARG A 389 -2.968 1.772 14.504 1.00 15.00 N1+ ATOM 376 NH2 ARG A 389 -4.433 0.087 15.041 1.00 15.00 N ATOM 0 H ARG A 389 -2.325 2.459 9.801 1.00 15.00 H new ATOM 0 HA ARG A 389 -4.381 2.128 9.054 1.00 15.00 H new ATOM 0 HB2 ARG A 389 -5.041 4.611 10.630 1.00 15.00 H new ATOM 0 HB3 ARG A 389 -6.229 3.868 9.578 1.00 15.00 H new ATOM 0 HG2 ARG A 389 -6.644 3.007 11.751 1.00 15.00 H new ATOM 0 HG3 ARG A 389 -5.893 1.703 10.852 1.00 15.00 H new ATOM 0 HD2 ARG A 389 -3.672 2.379 11.876 1.00 15.00 H new ATOM 0 HD3 ARG A 389 -4.540 3.525 12.877 1.00 15.00 H new ATOM 0 HE ARG A 389 -5.833 1.044 13.236 1.00 15.00 H new ATOM 0 HH11 ARG A 389 -2.727 2.586 13.939 1.00 15.00 H new ATOM 0 HH12 ARG A 389 -2.340 1.461 15.245 1.00 15.00 H new ATOM 0 HH21 ARG A 389 -5.319 -0.396 14.890 1.00 15.00 H new ATOM 0 HH22 ARG A 389 -3.804 -0.222 15.782 1.00 15.00 H new ATOM 390 N THR A 390 -3.565 3.445 6.908 1.00 15.00 N ATOM 391 CA THR A 390 -3.386 4.198 5.675 1.00 15.00 C ATOM 392 C THR A 390 -3.392 3.303 4.416 1.00 15.00 C ATOM 393 O THR A 390 -2.984 2.142 4.476 1.00 15.00 O ATOM 394 CB THR A 390 -2.051 4.991 5.760 1.00 15.00 C ATOM 395 OG1 THR A 390 -2.193 6.095 6.662 1.00 15.00 O ATOM 396 CG2 THR A 390 -1.560 5.490 4.404 1.00 15.00 C ATOM 0 H THR A 390 -3.120 2.527 6.918 1.00 15.00 H new ATOM 0 HA THR A 390 -4.233 4.877 5.575 1.00 15.00 H new ATOM 0 HB THR A 390 -1.298 4.295 6.131 1.00 15.00 H new ATOM 0 HG1 THR A 390 -1.448 6.719 6.535 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.625 6.035 4.534 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.396 4.640 3.741 1.00 15.00 H new ATOM 0 HG23 THR A 390 -2.308 6.152 3.967 1.00 15.00 H new ATOM 404 N THR A 391 -3.862 3.860 3.285 1.00 15.00 N ATOM 405 CA THR A 391 -3.830 3.196 1.992 1.00 15.00 C ATOM 406 C THR A 391 -3.227 4.162 0.955 1.00 15.00 C ATOM 407 O THR A 391 -3.757 5.259 0.754 1.00 15.00 O ATOM 408 CB THR A 391 -5.256 2.773 1.564 1.00 15.00 C ATOM 409 OG1 THR A 391 -5.295 2.513 0.165 1.00 15.00 O ATOM 410 CG2 THR A 391 -6.285 3.840 1.911 1.00 15.00 C ATOM 0 H THR A 391 -4.276 4.792 3.255 1.00 15.00 H new ATOM 0 HA THR A 391 -3.218 2.297 2.059 1.00 15.00 H new ATOM 0 HB THR A 391 -5.506 1.865 2.113 1.00 15.00 H new ATOM 0 HG1 THR A 391 -5.040 1.582 -0.002 1.00 15.00 H new ATOM 0 HG21 THR A 391 -7.274 3.508 1.596 1.00 15.00 H new ATOM 0 HG22 THR A 391 -6.285 4.009 2.988 1.00 15.00 H new ATOM 0 HG23 THR A 391 -6.033 4.768 1.398 1.00 15.00 H new ATOM 418 N THR A 392 -2.109 3.795 0.320 1.00 15.00 N ATOM 419 CA THR A 392 -1.373 4.767 -0.484 1.00 15.00 C ATOM 420 C THR A 392 -0.616 4.143 -1.664 1.00 15.00 C ATOM 421 O THR A 392 -0.205 2.982 -1.609 1.00 15.00 O ATOM 422 CB THR A 392 -0.398 5.549 0.408 1.00 15.00 C ATOM 423 OG1 THR A 392 0.150 6.658 -0.315 1.00 15.00 O ATOM 424 CG2 THR A 392 0.729 4.658 0.914 1.00 15.00 C ATOM 0 H THR A 392 -1.705 2.859 0.346 1.00 15.00 H new ATOM 0 HA THR A 392 -2.116 5.437 -0.916 1.00 15.00 H new ATOM 0 HB THR A 392 -0.956 5.915 1.270 1.00 15.00 H new ATOM 0 HG1 THR A 392 0.769 7.151 0.263 1.00 15.00 H new ATOM 0 HG21 THR A 392 1.401 5.243 1.542 1.00 15.00 H new ATOM 0 HG22 THR A 392 0.310 3.837 1.496 1.00 15.00 H new ATOM 0 HG23 THR A 392 1.283 4.256 0.066 1.00 15.00 H new ATOM 432 N TRP A 393 -0.458 4.930 -2.740 1.00 15.00 N ATOM 433 CA TRP A 393 0.327 4.518 -3.911 1.00 15.00 C ATOM 434 C TRP A 393 1.824 4.555 -3.608 1.00 15.00 C ATOM 435 O TRP A 393 2.626 3.922 -4.297 1.00 15.00 O ATOM 436 CB TRP A 393 0.106 5.459 -5.109 1.00 15.00 C ATOM 437 CG TRP A 393 -1.287 5.531 -5.659 1.00 15.00 C ATOM 438 CD1 TRP A 393 -1.907 6.647 -6.146 1.00 15.00 C ATOM 439 CD2 TRP A 393 -2.221 4.461 -5.806 1.00 15.00 C ATOM 440 NE1 TRP A 393 -3.165 6.332 -6.590 1.00 15.00 N ATOM 441 CE2 TRP A 393 -3.381 4.997 -6.388 1.00 15.00 C ATOM 442 CE3 TRP A 393 -2.190 3.105 -5.505 1.00 15.00 C ATOM 443 CZ2 TRP A 393 -4.493 4.219 -6.673 1.00 15.00 C ATOM 444 CZ3 TRP A 393 -3.299 2.332 -5.783 1.00 15.00 C ATOM 445 CH2 TRP A 393 -4.437 2.891 -6.365 1.00 15.00 C ATOM 0 H TRP A 393 -0.867 5.861 -2.822 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.006 3.508 -4.151 1.00 15.00 H new ATOM 0 HB2 TRP A 393 0.408 6.464 -4.813 1.00 15.00 H new ATOM 0 HB3 TRP A 393 0.774 5.150 -5.913 1.00 15.00 H new ATOM 0 HD1 TRP A 393 -1.469 7.634 -6.177 1.00 15.00 H new ATOM 0 HE1 TRP A 393 -3.830 6.986 -7.003 1.00 15.00 H new ATOM 0 HE3 TRP A 393 -1.311 2.662 -5.060 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 -5.375 4.650 -7.124 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 -3.286 1.278 -5.546 1.00 15.00 H new ATOM 0 HH2 TRP A 393 -5.289 2.261 -6.576 1.00 15.00 H new ATOM 456 N THR A 394 2.192 5.341 -2.611 1.00 15.00 N ATOM 457 CA THR A 394 3.587 5.676 -2.372 1.00 15.00 C ATOM 458 C THR A 394 4.357 4.527 -1.714 1.00 15.00 C ATOM 459 O THR A 394 3.795 3.747 -0.944 1.00 15.00 O ATOM 460 CB THR A 394 3.676 6.937 -1.487 1.00 15.00 C ATOM 461 OG1 THR A 394 2.770 7.934 -1.984 1.00 15.00 O ATOM 462 CG2 THR A 394 5.085 7.508 -1.469 1.00 15.00 C ATOM 0 H THR A 394 1.540 5.762 -1.949 1.00 15.00 H new ATOM 0 HA THR A 394 4.048 5.865 -3.342 1.00 15.00 H new ATOM 0 HB THR A 394 3.409 6.654 -0.469 1.00 15.00 H new ATOM 0 HG1 THR A 394 2.824 8.735 -1.422 1.00 15.00 H new ATOM 0 HG21 THR A 394 5.110 8.395 -0.836 1.00 15.00 H new ATOM 0 HG22 THR A 394 5.775 6.762 -1.075 1.00 15.00 H new ATOM 0 HG23 THR A 394 5.381 7.777 -2.483 1.00 15.00 H new ATOM 470 N ARG A 395 5.647 4.433 -2.032 1.00 15.00 N ATOM 471 CA ARG A 395 6.536 3.494 -1.363 1.00 15.00 C ATOM 472 C ARG A 395 6.757 3.953 0.070 1.00 15.00 C ATOM 473 O ARG A 395 7.041 5.125 0.318 1.00 15.00 O ATOM 474 CB ARG A 395 7.883 3.403 -2.090 1.00 15.00 C ATOM 475 CG ARG A 395 7.879 2.500 -3.315 1.00 15.00 C ATOM 476 CD ARG A 395 7.811 1.026 -2.932 1.00 15.00 C ATOM 477 NE ARG A 395 7.881 0.153 -4.107 1.00 15.00 N ATOM 478 CZ ARG A 395 7.796 -1.180 -4.069 1.00 15.00 C ATOM 479 NH1 ARG A 395 7.726 -1.824 -2.909 1.00 15.00 N1+ ATOM 480 NH2 ARG A 395 7.796 -1.872 -5.202 1.00 15.00 N ATOM 0 H ARG A 395 6.098 4.999 -2.751 1.00 15.00 H new ATOM 0 HA ARG A 395 6.076 2.506 -1.373 1.00 15.00 H new ATOM 0 HB2 ARG A 395 8.186 4.405 -2.394 1.00 15.00 H new ATOM 0 HB3 ARG A 395 8.636 3.041 -1.390 1.00 15.00 H new ATOM 0 HG2 ARG A 395 7.028 2.751 -3.948 1.00 15.00 H new ATOM 0 HG3 ARG A 395 8.779 2.682 -3.903 1.00 15.00 H new ATOM 0 HD2 ARG A 395 8.631 0.789 -2.254 1.00 15.00 H new ATOM 0 HD3 ARG A 395 6.884 0.834 -2.391 1.00 15.00 H new ATOM 0 HE ARG A 395 8.003 0.594 -5.018 1.00 15.00 H new ATOM 0 HH11 ARG A 395 7.737 -1.301 -2.034 1.00 15.00 H new ATOM 0 HH12 ARG A 395 7.661 -2.842 -2.894 1.00 15.00 H new ATOM 0 HH21 ARG A 395 7.861 -1.386 -6.096 1.00 15.00 H new ATOM 0 HH22 ARG A 395 7.731 -2.890 -5.178 1.00 15.00 H new ATOM 494 N PRO A 396 6.641 3.033 1.025 1.00 15.00 N ATOM 495 CA PRO A 396 6.703 3.354 2.450 1.00 15.00 C ATOM 496 C PRO A 396 8.097 3.773 2.902 1.00 15.00 C ATOM 497 O PRO A 396 9.077 3.052 2.711 1.00 15.00 O ATOM 498 CB PRO A 396 6.299 2.037 3.128 1.00 15.00 C ATOM 499 CG PRO A 396 5.664 1.228 2.047 1.00 15.00 C ATOM 500 CD PRO A 396 6.396 1.606 0.802 1.00 15.00 C ATOM 0 HA PRO A 396 6.061 4.199 2.699 1.00 15.00 H new ATOM 0 HB2 PRO A 396 7.166 1.526 3.547 1.00 15.00 H new ATOM 0 HB3 PRO A 396 5.605 2.212 3.950 1.00 15.00 H new ATOM 0 HG2 PRO A 396 5.753 0.161 2.249 1.00 15.00 H new ATOM 0 HG3 PRO A 396 4.600 1.449 1.962 1.00 15.00 H new ATOM 0 HD2 PRO A 396 7.323 1.045 0.685 1.00 15.00 H new ATOM 0 HD3 PRO A 396 5.801 1.428 -0.093 1.00 15.00 H new ATOM 616 N PRO B 180 -8.084 6.090 -7.523 1.00 15.00 N ATOM 617 CA PRO B 180 -7.437 5.801 -6.251 1.00 15.00 C ATOM 618 C PRO B 180 -7.496 4.472 -5.565 1.00 15.00 C ATOM 619 O PRO B 180 -8.194 3.522 -5.927 1.00 15.00 O ATOM 620 CB PRO B 180 -8.115 6.828 -5.364 1.00 15.00 C ATOM 621 CG PRO B 180 -7.755 7.921 -6.197 1.00 15.00 C ATOM 622 CD PRO B 180 -8.456 7.522 -7.482 1.00 15.00 C ATOM 0 HA PRO B 180 -6.365 5.815 -6.446 1.00 15.00 H new ATOM 0 HB2 PRO B 180 -9.191 6.684 -5.261 1.00 15.00 H new ATOM 0 HB3 PRO B 180 -7.703 6.884 -4.356 1.00 15.00 H new ATOM 0 HG2 PRO B 180 -8.111 8.875 -5.808 1.00 15.00 H new ATOM 0 HG3 PRO B 180 -6.676 8.010 -6.322 1.00 15.00 H new ATOM 0 HD2 PRO B 180 -9.534 7.674 -7.437 1.00 15.00 H new ATOM 0 HD3 PRO B 180 -8.092 8.075 -8.348 1.00 15.00 H new ATOM 630 N PRO B 181 -6.662 4.481 -4.509 1.00 15.00 N ATOM 631 CA PRO B 181 -6.419 3.364 -3.613 1.00 15.00 C ATOM 632 C PRO B 181 -7.691 2.772 -3.025 1.00 15.00 C ATOM 633 O PRO B 181 -8.624 3.491 -2.661 1.00 15.00 O ATOM 634 CB PRO B 181 -5.572 3.991 -2.492 1.00 15.00 C ATOM 635 CG PRO B 181 -5.689 5.471 -2.668 1.00 15.00 C ATOM 636 CD PRO B 181 -5.894 5.692 -4.095 1.00 15.00 C ATOM 0 HA PRO B 181 -5.942 2.536 -4.137 1.00 15.00 H new ATOM 0 HB2 PRO B 181 -5.935 3.685 -1.511 1.00 15.00 H new ATOM 0 HB3 PRO B 181 -4.533 3.670 -2.562 1.00 15.00 H new ATOM 0 HG2 PRO B 181 -6.522 5.868 -2.088 1.00 15.00 H new ATOM 0 HG3 PRO B 181 -4.789 5.978 -2.320 1.00 15.00 H new ATOM 0 HD2 PRO B 181 -6.451 6.609 -4.287 1.00 15.00 H new ATOM 0 HD3 PRO B 181 -4.949 5.775 -4.632 1.00 15.00 H new ATOM 644 N PRO B 182 -7.709 1.446 -2.901 1.00 15.00 N ATOM 645 CA PRO B 182 -8.748 0.717 -2.179 1.00 15.00 C ATOM 646 C PRO B 182 -8.616 0.986 -0.687 1.00 15.00 C ATOM 647 O PRO B 182 -7.517 1.272 -0.220 1.00 15.00 O ATOM 648 CB PRO B 182 -8.447 -0.760 -2.486 1.00 15.00 C ATOM 649 CG PRO B 182 -7.448 -0.750 -3.597 1.00 15.00 C ATOM 650 CD PRO B 182 -6.707 0.544 -3.475 1.00 15.00 C ATOM 0 HA PRO B 182 -9.758 1.006 -2.470 1.00 15.00 H new ATOM 0 HB2 PRO B 182 -8.050 -1.269 -1.608 1.00 15.00 H new ATOM 0 HB3 PRO B 182 -9.353 -1.291 -2.779 1.00 15.00 H new ATOM 0 HG2 PRO B 182 -6.768 -1.598 -3.517 1.00 15.00 H new ATOM 0 HG3 PRO B 182 -7.941 -0.827 -4.566 1.00 15.00 H new ATOM 0 HD2 PRO B 182 -5.833 0.449 -2.830 1.00 15.00 H new ATOM 0 HD3 PRO B 182 -6.352 0.899 -4.443 1.00 15.00 H new ATOM 658 N GLY B 183 -9.732 0.942 0.039 1.00 15.00 N ATOM 659 CA GLY B 183 -9.729 1.248 1.468 1.00 15.00 C ATOM 660 C GLY B 183 -8.644 0.520 2.253 1.00 15.00 C ATOM 661 O GLY B 183 -7.992 -0.390 1.745 1.00 15.00 O ATOM 0 H GLY B 183 -10.648 0.698 -0.338 1.00 15.00 H new ATOM 0 HA2 GLY B 183 -9.600 2.322 1.599 1.00 15.00 H new ATOM 0 HA3 GLY B 183 -10.702 0.990 1.887 1.00 15.00 H new ATOM 665 N TYR B 184 -8.498 0.867 3.521 1.00 15.00 N ATOM 666 CA TYR B 184 -7.360 0.406 4.297 1.00 15.00 C ATOM 667 C TYR B 184 -7.641 -0.944 4.999 1.00 15.00 C ATOM 668 O TYR B 184 -8.603 -1.070 5.761 1.00 15.00 O ATOM 669 CB TYR B 184 -6.931 1.489 5.309 1.00 15.00 C ATOM 670 CG TYR B 184 -6.326 0.934 6.576 1.00 15.00 C ATOM 671 CD1 TYR B 184 -5.053 0.386 6.595 1.00 15.00 C ATOM 672 CD2 TYR B 184 -7.054 0.948 7.759 1.00 15.00 C ATOM 673 CE1 TYR B 184 -4.525 -0.132 7.758 1.00 15.00 C ATOM 674 CE2 TYR B 184 -6.531 0.436 8.924 1.00 15.00 C ATOM 675 CZ TYR B 184 -5.267 -0.104 8.920 1.00 15.00 C ATOM 676 OH TYR B 184 -4.735 -0.613 10.079 1.00 15.00 O ATOM 0 H TYR B 184 -9.149 1.463 4.032 1.00 15.00 H new ATOM 0 HA TYR B 184 -6.535 0.230 3.606 1.00 15.00 H new ATOM 0 HB2 TYR B 184 -6.209 2.152 4.833 1.00 15.00 H new ATOM 0 HB3 TYR B 184 -7.799 2.096 5.567 1.00 15.00 H new ATOM 0 HD1 TYR B 184 -4.468 0.365 5.688 1.00 15.00 H new ATOM 0 HD2 TYR B 184 -8.049 1.368 7.764 1.00 15.00 H new ATOM 0 HE1 TYR B 184 -3.533 -0.559 7.759 1.00 15.00 H new ATOM 0 HE2 TYR B 184 -7.110 0.458 9.836 1.00 15.00 H new ATOM 0 HH TYR B 184 -5.384 -0.516 10.807 1.00 15.00 H new ATOM 686 N LEU B 185 -6.782 -1.947 4.715 1.00 15.00 N ATOM 687 CA LEU B 185 -6.862 -3.288 5.281 1.00 15.00 C ATOM 688 C LEU B 185 -8.077 -4.066 4.843 1.00 15.00 C ATOM 689 O LEU B 185 -9.034 -4.283 5.589 1.00 15.00 O ATOM 690 CB LEU B 185 -6.661 -3.333 6.789 1.00 15.00 C ATOM 691 CG LEU B 185 -5.215 -3.521 7.206 1.00 15.00 C ATOM 692 CD1 LEU B 185 -5.092 -3.521 8.721 1.00 15.00 C ATOM 693 CD2 LEU B 185 -4.661 -4.817 6.629 1.00 15.00 C ATOM 0 H LEU B 185 -6.000 -1.832 4.070 1.00 15.00 H new ATOM 0 HA LEU B 185 -6.006 -3.806 4.849 1.00 15.00 H new ATOM 0 HB2 LEU B 185 -7.038 -2.408 7.225 1.00 15.00 H new ATOM 0 HB3 LEU B 185 -7.258 -4.146 7.202 1.00 15.00 H new ATOM 0 HG LEU B 185 -4.632 -2.688 6.813 1.00 15.00 H new ATOM 0 HD11 LEU B 185 -4.047 -3.657 9.001 1.00 15.00 H new ATOM 0 HD12 LEU B 185 -5.453 -2.571 9.115 1.00 15.00 H new ATOM 0 HD13 LEU B 185 -5.688 -4.335 9.134 1.00 15.00 H new ATOM 0 HD21 LEU B 185 -3.622 -4.938 6.937 1.00 15.00 H new ATOM 0 HD22 LEU B 185 -5.248 -5.659 6.995 1.00 15.00 H new ATOM 0 HD23 LEU B 185 -4.715 -4.783 5.541 1.00 15.00 H new ATOM 705 N SER B 186 -8.023 -4.413 3.586 1.00 15.00 N ATOM 706 CA SER B 186 -8.792 -5.486 3.034 1.00 15.00 C ATOM 707 C SER B 186 -7.964 -6.032 1.888 1.00 15.00 C ATOM 708 O SER B 186 -7.946 -5.470 0.793 1.00 15.00 O ATOM 709 CB SER B 186 -10.150 -4.972 2.563 1.00 15.00 C ATOM 710 OG SER B 186 -10.857 -5.948 1.810 1.00 15.00 O ATOM 0 H SER B 186 -7.427 -3.944 2.904 1.00 15.00 H new ATOM 0 HA SER B 186 -9.001 -6.268 3.765 1.00 15.00 H new ATOM 0 HB2 SER B 186 -10.746 -4.679 3.427 1.00 15.00 H new ATOM 0 HB3 SER B 186 -10.008 -4.078 1.956 1.00 15.00 H new ATOM 0 HG SER B 186 -11.721 -5.581 1.528 1.00 15.00 H new ATOM 716 N GLU B 187 -7.258 -7.118 2.149 1.00 15.00 N ATOM 717 CA GLU B 187 -6.231 -7.575 1.233 1.00 15.00 C ATOM 718 C GLU B 187 -6.432 -9.050 0.944 1.00 15.00 C ATOM 719 O GLU B 187 -6.146 -9.903 1.782 1.00 15.00 O ATOM 720 CB GLU B 187 -4.814 -7.308 1.804 1.00 15.00 C ATOM 721 CG GLU B 187 -4.650 -5.955 2.486 1.00 15.00 C ATOM 722 CD GLU B 187 -5.041 -4.781 1.613 1.00 15.00 C ATOM 723 OE1 GLU B 187 -4.605 -4.721 0.446 1.00 15.00 O ATOM 724 OE2 GLU B 187 -5.776 -3.902 2.105 1.00 15.00 O1- ATOM 0 H GLU B 187 -7.376 -7.695 2.982 1.00 15.00 H new ATOM 0 HA GLU B 187 -6.315 -7.016 0.301 1.00 15.00 H new ATOM 0 HB2 GLU B 187 -4.571 -8.093 2.520 1.00 15.00 H new ATOM 0 HB3 GLU B 187 -4.090 -7.382 0.993 1.00 15.00 H new ATOM 0 HG2 GLU B 187 -5.255 -5.939 3.393 1.00 15.00 H new ATOM 0 HG3 GLU B 187 -3.611 -5.837 2.794 1.00 15.00 H new