USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=11 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 -126:sc= 0.541 USER MOD Set 1.2: A 394 THR OG1 : rot 180:sc= 0.565 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 378 LYS NZ :NH3+ -145:sc= 0.206 (180deg=0.0455) USER MOD Single : A 381 THR OG1 : rot 36:sc= 0.146 USER MOD Single : A 382 TYR OH : rot 56:sc= 1.61 USER MOD Single : A 383 TYR OH : rot 180:sc= 0.765 USER MOD Single : A 385 ASN : amide:sc= -7.13! C(o=-7.1!,f=-7.6!) USER MOD Single : A 386 HIS : no HD1:sc= -6.61! C(o=-6.6!,f=-11!) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 388 ASN : amide:sc= -1.32! K(o=-1.3!,f=-0.028) USER MOD Single : A 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 391 THR OG1 : rot 71:sc= -1.14! USER MOD Single : B 184 TYR OH : rot -165:sc= -2.4! USER MOD Single : B 186 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 368 8.216 -2.615 2.813 1.00 15.00 N ATOM 28 CA PRO A 368 8.415 -2.454 4.237 1.00 15.00 C ATOM 29 C PRO A 368 7.498 -3.374 5.031 1.00 15.00 C ATOM 30 O PRO A 368 6.289 -3.438 4.798 1.00 15.00 O ATOM 31 CB PRO A 368 8.005 -1.008 4.475 1.00 15.00 C ATOM 32 CG PRO A 368 6.910 -0.799 3.502 1.00 15.00 C ATOM 33 CD PRO A 368 7.295 -1.603 2.289 1.00 15.00 C ATOM 0 HA PRO A 368 9.433 -2.691 4.546 1.00 15.00 H new ATOM 0 HB2 PRO A 368 7.668 -0.849 5.499 1.00 15.00 H new ATOM 0 HB3 PRO A 368 8.834 -0.321 4.302 1.00 15.00 H new ATOM 0 HG2 PRO A 368 5.955 -1.133 3.908 1.00 15.00 H new ATOM 0 HG3 PRO A 368 6.800 0.257 3.255 1.00 15.00 H new ATOM 0 HD2 PRO A 368 6.424 -2.061 1.820 1.00 15.00 H new ATOM 0 HD3 PRO A 368 7.774 -0.981 1.533 1.00 15.00 H new ATOM 41 N SER A 369 8.087 -4.074 5.966 1.00 15.00 N ATOM 42 CA SER A 369 7.373 -5.041 6.773 1.00 15.00 C ATOM 43 C SER A 369 6.405 -4.331 7.727 1.00 15.00 C ATOM 44 O SER A 369 6.835 -3.592 8.618 1.00 15.00 O ATOM 45 CB SER A 369 8.379 -5.866 7.574 1.00 15.00 C ATOM 46 OG SER A 369 9.408 -6.364 6.733 1.00 15.00 O ATOM 0 H SER A 369 9.078 -3.992 6.193 1.00 15.00 H new ATOM 0 HA SER A 369 6.796 -5.696 6.120 1.00 15.00 H new ATOM 0 HB2 SER A 369 8.814 -5.252 8.363 1.00 15.00 H new ATOM 0 HB3 SER A 369 7.868 -6.696 8.062 1.00 15.00 H new ATOM 0 HG SER A 369 10.042 -6.888 7.266 1.00 15.00 H new ATOM 52 N GLY A 370 5.105 -4.520 7.519 1.00 15.00 N ATOM 53 CA GLY A 370 4.131 -3.892 8.381 1.00 15.00 C ATOM 54 C GLY A 370 2.901 -3.470 7.617 1.00 15.00 C ATOM 55 O GLY A 370 1.859 -3.194 8.207 1.00 15.00 O ATOM 0 H GLY A 370 4.714 -5.094 6.772 1.00 15.00 H new ATOM 0 HA2 GLY A 370 3.847 -4.584 9.174 1.00 15.00 H new ATOM 0 HA3 GLY A 370 4.578 -3.022 8.862 1.00 15.00 H new ATOM 59 N TRP A 371 3.044 -3.323 6.306 1.00 15.00 N ATOM 60 CA TRP A 371 1.921 -3.115 5.430 1.00 15.00 C ATOM 61 C TRP A 371 1.703 -4.353 4.572 1.00 15.00 C ATOM 62 O TRP A 371 2.656 -5.084 4.296 1.00 15.00 O ATOM 63 CB TRP A 371 2.213 -1.941 4.505 1.00 15.00 C ATOM 64 CG TRP A 371 2.820 -0.725 5.156 1.00 15.00 C ATOM 65 CD1 TRP A 371 3.529 -0.636 6.314 1.00 15.00 C ATOM 66 CD2 TRP A 371 2.756 0.586 4.641 1.00 15.00 C ATOM 67 NE1 TRP A 371 3.918 0.657 6.531 1.00 15.00 N ATOM 68 CE2 TRP A 371 3.447 1.435 5.513 1.00 15.00 C ATOM 69 CE3 TRP A 371 2.168 1.102 3.519 1.00 15.00 C ATOM 70 CZ2 TRP A 371 3.561 2.804 5.281 1.00 15.00 C ATOM 71 CZ3 TRP A 371 2.266 2.463 3.273 1.00 15.00 C ATOM 72 CH2 TRP A 371 2.960 3.302 4.158 1.00 15.00 C ATOM 0 H TRP A 371 3.946 -3.346 5.830 1.00 15.00 H new ATOM 0 HA TRP A 371 1.034 -2.915 6.032 1.00 15.00 H new ATOM 0 HB2 TRP A 371 2.886 -2.282 3.718 1.00 15.00 H new ATOM 0 HB3 TRP A 371 1.282 -1.644 4.022 1.00 15.00 H new ATOM 0 HD1 TRP A 371 3.752 -1.466 6.967 1.00 15.00 H new ATOM 0 HE1 TRP A 371 4.470 0.986 7.323 1.00 15.00 H new ATOM 0 HE3 TRP A 371 1.635 0.459 2.835 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 4.102 3.446 5.960 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 1.804 2.882 2.391 1.00 15.00 H new ATOM 0 HH2 TRP A 371 3.021 4.360 3.949 1.00 15.00 H new ATOM 83 N GLU A 372 0.474 -4.589 4.123 1.00 15.00 N ATOM 84 CA GLU A 372 0.259 -5.649 3.149 1.00 15.00 C ATOM 85 C GLU A 372 0.297 -5.025 1.764 1.00 15.00 C ATOM 86 O GLU A 372 -0.255 -3.945 1.562 1.00 15.00 O ATOM 87 CB GLU A 372 -1.073 -6.421 3.352 1.00 15.00 C ATOM 88 CG GLU A 372 -1.524 -6.558 4.793 1.00 15.00 C ATOM 89 CD GLU A 372 -0.590 -7.393 5.643 1.00 15.00 C ATOM 90 OE1 GLU A 372 0.337 -6.820 6.253 1.00 15.00 O ATOM 91 OE2 GLU A 372 -0.800 -8.618 5.741 1.00 15.00 O1- ATOM 0 H GLU A 372 -0.362 -4.079 4.407 1.00 15.00 H new ATOM 0 HA GLU A 372 1.049 -6.389 3.278 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.857 -5.915 2.789 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -0.966 -7.418 2.925 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -1.612 -5.565 5.233 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.518 -7.005 4.813 1.00 15.00 H new ATOM 98 N GLU A 373 0.961 -5.667 0.814 1.00 15.00 N ATOM 99 CA GLU A 373 1.047 -5.098 -0.523 1.00 15.00 C ATOM 100 C GLU A 373 0.060 -5.737 -1.471 1.00 15.00 C ATOM 101 O GLU A 373 -0.262 -6.923 -1.361 1.00 15.00 O ATOM 102 CB GLU A 373 2.429 -5.224 -1.139 1.00 15.00 C ATOM 103 CG GLU A 373 2.928 -6.656 -1.261 1.00 15.00 C ATOM 104 CD GLU A 373 4.029 -6.805 -2.292 1.00 15.00 C ATOM 105 OE1 GLU A 373 3.941 -6.162 -3.361 1.00 15.00 O ATOM 106 OE2 GLU A 373 4.973 -7.591 -2.052 1.00 15.00 O1- ATOM 0 H GLU A 373 1.437 -6.560 0.938 1.00 15.00 H new ATOM 0 HA GLU A 373 0.814 -4.042 -0.388 1.00 15.00 H new ATOM 0 HB2 GLU A 373 2.416 -4.770 -2.130 1.00 15.00 H new ATOM 0 HB3 GLU A 373 3.137 -4.654 -0.537 1.00 15.00 H new ATOM 0 HG2 GLU A 373 3.296 -6.992 -0.292 1.00 15.00 H new ATOM 0 HG3 GLU A 373 2.095 -7.305 -1.529 1.00 15.00 H new ATOM 113 N ARG A 374 -0.367 -4.947 -2.431 1.00 15.00 N ATOM 114 CA ARG A 374 -1.283 -5.403 -3.463 1.00 15.00 C ATOM 115 C ARG A 374 -1.053 -4.640 -4.756 1.00 15.00 C ATOM 116 O ARG A 374 -1.141 -3.407 -4.792 1.00 15.00 O ATOM 117 CB ARG A 374 -2.746 -5.272 -3.030 1.00 15.00 C ATOM 118 CG ARG A 374 -3.203 -6.384 -2.103 1.00 15.00 C ATOM 119 CD ARG A 374 -4.692 -6.633 -2.229 1.00 15.00 C ATOM 120 NE ARG A 374 -5.485 -5.559 -1.648 1.00 15.00 N ATOM 121 CZ ARG A 374 -6.653 -5.161 -2.139 1.00 15.00 C ATOM 122 NH1 ARG A 374 -7.104 -5.687 -3.274 1.00 15.00 N1+ ATOM 123 NH2 ARG A 374 -7.353 -4.224 -1.515 1.00 15.00 N ATOM 0 H ARG A 374 -0.091 -3.969 -2.522 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.079 -6.461 -3.629 1.00 15.00 H new ATOM 0 HB2 ARG A 374 -2.885 -4.313 -2.531 1.00 15.00 H new ATOM 0 HB3 ARG A 374 -3.380 -5.265 -3.917 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -2.659 -7.299 -2.335 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -2.962 -6.122 -1.073 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -4.951 -6.744 -3.282 1.00 15.00 H new ATOM 0 HD3 ARG A 374 -4.943 -7.573 -1.738 1.00 15.00 H new ATOM 0 HE ARG A 374 -5.124 -5.087 -0.819 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -6.553 -6.393 -3.763 1.00 15.00 H new ATOM 0 HH12 ARG A 374 -8.000 -5.385 -3.655 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -6.995 -3.807 -0.656 1.00 15.00 H new ATOM 0 HH22 ARG A 374 -8.250 -3.920 -1.894 1.00 15.00 H new ATOM 137 N LYS A 375 -0.750 -5.366 -5.813 1.00 15.00 N ATOM 138 CA LYS A 375 -0.612 -4.767 -7.123 1.00 15.00 C ATOM 139 C LYS A 375 -1.855 -5.091 -7.946 1.00 15.00 C ATOM 140 O LYS A 375 -2.053 -6.239 -8.345 1.00 15.00 O ATOM 141 CB LYS A 375 0.645 -5.281 -7.826 1.00 15.00 C ATOM 142 CG LYS A 375 0.881 -4.643 -9.185 1.00 15.00 C ATOM 143 CD LYS A 375 2.173 -5.125 -9.822 1.00 15.00 C ATOM 144 CE LYS A 375 2.341 -4.566 -11.227 1.00 15.00 C ATOM 145 NZ LYS A 375 3.615 -5.005 -11.853 1.00 15.00 N1+ ATOM 0 H LYS A 375 -0.595 -6.374 -5.789 1.00 15.00 H new ATOM 0 HA LYS A 375 -0.513 -3.687 -7.018 1.00 15.00 H new ATOM 0 HB2 LYS A 375 1.510 -5.094 -7.190 1.00 15.00 H new ATOM 0 HB3 LYS A 375 0.567 -6.361 -7.949 1.00 15.00 H new ATOM 0 HG2 LYS A 375 0.044 -4.873 -9.844 1.00 15.00 H new ATOM 0 HG3 LYS A 375 0.913 -3.559 -9.076 1.00 15.00 H new ATOM 0 HD2 LYS A 375 3.019 -4.823 -9.205 1.00 15.00 H new ATOM 0 HD3 LYS A 375 2.178 -6.214 -9.859 1.00 15.00 H new ATOM 0 HE2 LYS A 375 1.504 -4.886 -11.847 1.00 15.00 H new ATOM 0 HE3 LYS A 375 2.312 -3.477 -11.190 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 3.689 -4.602 -12.809 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 4.416 -4.678 -11.276 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 3.633 -6.043 -11.913 1.00 15.00 H new ATOM 159 N ASP A 376 -2.709 -4.100 -8.170 1.00 15.00 N ATOM 160 CA ASP A 376 -3.962 -4.338 -8.862 1.00 15.00 C ATOM 161 C ASP A 376 -3.762 -4.155 -10.364 1.00 15.00 C ATOM 162 O ASP A 376 -3.098 -3.199 -10.792 1.00 15.00 O ATOM 163 CB ASP A 376 -5.038 -3.376 -8.346 1.00 15.00 C ATOM 164 CG ASP A 376 -6.440 -3.795 -8.749 1.00 15.00 C ATOM 165 OD1 ASP A 376 -6.741 -3.806 -9.959 1.00 15.00 O1- ATOM 166 OD2 ASP A 376 -7.246 -4.120 -7.855 1.00 15.00 O ATOM 0 H ASP A 376 -2.556 -3.133 -7.884 1.00 15.00 H new ATOM 0 HA ASP A 376 -4.290 -5.360 -8.671 1.00 15.00 H new ATOM 0 HB2 ASP A 376 -4.978 -3.320 -7.259 1.00 15.00 H new ATOM 0 HB3 ASP A 376 -4.838 -2.375 -8.728 1.00 15.00 H new ATOM 171 N ALA A 377 -4.373 -5.041 -11.161 1.00 15.00 N ATOM 172 CA ALA A 377 -4.198 -5.043 -12.610 1.00 15.00 C ATOM 173 C ALA A 377 -4.780 -3.787 -13.249 1.00 15.00 C ATOM 174 O ALA A 377 -4.671 -3.591 -14.461 1.00 15.00 O ATOM 175 CB ALA A 377 -4.834 -6.286 -13.214 1.00 15.00 C ATOM 0 H ALA A 377 -4.998 -5.770 -10.817 1.00 15.00 H new ATOM 0 HA ALA A 377 -3.128 -5.052 -12.816 1.00 15.00 H new ATOM 0 HB1 ALA A 377 -4.697 -6.276 -14.295 1.00 15.00 H new ATOM 0 HB2 ALA A 377 -4.362 -7.176 -12.797 1.00 15.00 H new ATOM 0 HB3 ALA A 377 -5.899 -6.298 -12.983 1.00 15.00 H new ATOM 181 N LYS A 378 -5.394 -2.937 -12.430 1.00 15.00 N ATOM 182 CA LYS A 378 -5.886 -1.646 -12.890 1.00 15.00 C ATOM 183 C LYS A 378 -4.722 -0.676 -13.124 1.00 15.00 C ATOM 184 O LYS A 378 -4.923 0.484 -13.484 1.00 15.00 O ATOM 185 CB LYS A 378 -6.888 -1.064 -11.886 1.00 15.00 C ATOM 186 CG LYS A 378 -6.307 -0.750 -10.511 1.00 15.00 C ATOM 187 CD LYS A 378 -7.405 -0.293 -9.562 1.00 15.00 C ATOM 188 CE LYS A 378 -6.858 0.291 -8.271 1.00 15.00 C ATOM 189 NZ LYS A 378 -7.880 1.128 -7.589 1.00 15.00 N1+ ATOM 0 H LYS A 378 -5.562 -3.122 -11.441 1.00 15.00 H new ATOM 0 HA LYS A 378 -6.401 -1.792 -13.840 1.00 15.00 H new ATOM 0 HB2 LYS A 378 -7.310 -0.150 -12.304 1.00 15.00 H new ATOM 0 HB3 LYS A 378 -7.711 -1.769 -11.765 1.00 15.00 H new ATOM 0 HG2 LYS A 378 -5.814 -1.634 -10.107 1.00 15.00 H new ATOM 0 HG3 LYS A 378 -5.547 0.027 -10.599 1.00 15.00 H new ATOM 0 HD2 LYS A 378 -8.023 0.454 -10.061 1.00 15.00 H new ATOM 0 HD3 LYS A 378 -8.052 -1.138 -9.328 1.00 15.00 H new ATOM 0 HE2 LYS A 378 -6.542 -0.515 -7.609 1.00 15.00 H new ATOM 0 HE3 LYS A 378 -5.975 0.892 -8.485 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 -7.415 1.932 -7.122 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 -8.562 1.482 -8.289 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 -8.379 0.556 -6.878 1.00 15.00 H new ATOM 203 N GLY A 379 -3.504 -1.170 -12.920 1.00 15.00 N ATOM 204 CA GLY A 379 -2.318 -0.376 -13.179 1.00 15.00 C ATOM 205 C GLY A 379 -1.910 0.449 -11.981 1.00 15.00 C ATOM 206 O GLY A 379 -1.078 1.351 -12.087 1.00 15.00 O ATOM 0 H GLY A 379 -3.318 -2.113 -12.578 1.00 15.00 H new ATOM 0 HA2 GLY A 379 -1.497 -1.035 -13.461 1.00 15.00 H new ATOM 0 HA3 GLY A 379 -2.503 0.284 -14.027 1.00 15.00 H new ATOM 210 N ARG A 380 -2.476 0.116 -10.832 1.00 15.00 N ATOM 211 CA ARG A 380 -2.249 0.886 -9.620 1.00 15.00 C ATOM 212 C ARG A 380 -1.926 -0.038 -8.441 1.00 15.00 C ATOM 213 O ARG A 380 -2.769 -0.830 -8.015 1.00 15.00 O ATOM 214 CB ARG A 380 -3.470 1.771 -9.316 1.00 15.00 C ATOM 215 CG ARG A 380 -3.410 3.151 -9.968 1.00 15.00 C ATOM 216 CD ARG A 380 -4.725 3.919 -9.822 1.00 15.00 C ATOM 217 NE ARG A 380 -5.742 3.490 -10.796 1.00 15.00 N ATOM 218 CZ ARG A 380 -5.661 3.686 -12.115 1.00 15.00 C ATOM 219 NH1 ARG A 380 -4.570 4.195 -12.667 1.00 15.00 N1+ ATOM 220 NH2 ARG A 380 -6.683 3.346 -12.877 1.00 15.00 N ATOM 0 H ARG A 380 -3.097 -0.684 -10.713 1.00 15.00 H new ATOM 0 HA ARG A 380 -1.388 1.536 -9.775 1.00 15.00 H new ATOM 0 HB2 ARG A 380 -4.371 1.259 -9.654 1.00 15.00 H new ATOM 0 HB3 ARG A 380 -3.558 1.893 -8.236 1.00 15.00 H new ATOM 0 HG2 ARG A 380 -2.603 3.728 -9.518 1.00 15.00 H new ATOM 0 HG3 ARG A 380 -3.172 3.041 -11.026 1.00 15.00 H new ATOM 0 HD2 ARG A 380 -5.112 3.780 -8.813 1.00 15.00 H new ATOM 0 HD3 ARG A 380 -4.535 4.985 -9.947 1.00 15.00 H new ATOM 0 HE ARG A 380 -6.567 3.009 -10.438 1.00 15.00 H new ATOM 0 HH11 ARG A 380 -3.772 4.445 -12.083 1.00 15.00 H new ATOM 0 HH12 ARG A 380 -4.528 4.337 -13.676 1.00 15.00 H new ATOM 0 HH21 ARG A 380 -7.519 2.940 -12.457 1.00 15.00 H new ATOM 0 HH22 ARG A 380 -6.637 3.489 -13.886 1.00 15.00 H new ATOM 234 N THR A 381 -0.699 0.049 -7.938 1.00 15.00 N ATOM 235 CA THR A 381 -0.263 -0.769 -6.815 1.00 15.00 C ATOM 236 C THR A 381 -0.173 0.087 -5.556 1.00 15.00 C ATOM 237 O THR A 381 0.301 1.221 -5.605 1.00 15.00 O ATOM 238 CB THR A 381 1.098 -1.444 -7.107 1.00 15.00 C ATOM 239 OG1 THR A 381 1.541 -2.210 -5.979 1.00 15.00 O ATOM 240 CG2 THR A 381 2.162 -0.417 -7.472 1.00 15.00 C ATOM 0 H THR A 381 0.015 0.684 -8.295 1.00 15.00 H new ATOM 0 HA THR A 381 -0.998 -1.559 -6.660 1.00 15.00 H new ATOM 0 HB THR A 381 0.950 -2.110 -7.957 1.00 15.00 H new ATOM 0 HG1 THR A 381 0.768 -2.623 -5.540 1.00 15.00 H new ATOM 0 HG21 THR A 381 3.105 -0.925 -7.671 1.00 15.00 H new ATOM 0 HG22 THR A 381 1.850 0.130 -8.362 1.00 15.00 H new ATOM 0 HG23 THR A 381 2.293 0.281 -6.645 1.00 15.00 H new ATOM 248 N TYR A 382 -0.638 -0.448 -4.432 1.00 15.00 N ATOM 249 CA TYR A 382 -0.749 0.346 -3.217 1.00 15.00 C ATOM 250 C TYR A 382 -0.324 -0.456 -1.992 1.00 15.00 C ATOM 251 O TYR A 382 -0.461 -1.681 -1.958 1.00 15.00 O ATOM 252 CB TYR A 382 -2.184 0.862 -3.050 1.00 15.00 C ATOM 253 CG TYR A 382 -3.115 -0.053 -2.292 1.00 15.00 C ATOM 254 CD1 TYR A 382 -3.489 -1.301 -2.781 1.00 15.00 C ATOM 255 CD2 TYR A 382 -3.624 0.350 -1.076 1.00 15.00 C ATOM 256 CE1 TYR A 382 -4.347 -2.113 -2.066 1.00 15.00 C ATOM 257 CE2 TYR A 382 -4.478 -0.449 -0.359 1.00 15.00 C ATOM 258 CZ TYR A 382 -4.839 -1.683 -0.853 1.00 15.00 C ATOM 259 OH TYR A 382 -5.692 -2.486 -0.132 1.00 15.00 O ATOM 0 H TYR A 382 -0.941 -1.418 -4.338 1.00 15.00 H new ATOM 0 HA TYR A 382 -0.076 1.199 -3.307 1.00 15.00 H new ATOM 0 HB2 TYR A 382 -2.149 1.823 -2.538 1.00 15.00 H new ATOM 0 HB3 TYR A 382 -2.605 1.043 -4.039 1.00 15.00 H new ATOM 0 HD1 TYR A 382 -3.103 -1.639 -3.732 1.00 15.00 H new ATOM 0 HD2 TYR A 382 -3.345 1.315 -0.679 1.00 15.00 H new ATOM 0 HE1 TYR A 382 -4.631 -3.080 -2.455 1.00 15.00 H new ATOM 0 HE2 TYR A 382 -4.866 -0.111 0.591 1.00 15.00 H new ATOM 0 HH TYR A 382 -5.269 -3.356 0.024 1.00 15.00 H new ATOM 269 N TYR A 383 0.197 0.240 -0.993 1.00 15.00 N ATOM 270 CA TYR A 383 0.627 -0.394 0.242 1.00 15.00 C ATOM 271 C TYR A 383 -0.274 0.064 1.395 1.00 15.00 C ATOM 272 O TYR A 383 -0.545 1.261 1.537 1.00 15.00 O ATOM 273 CB TYR A 383 2.082 -0.026 0.527 1.00 15.00 C ATOM 274 CG TYR A 383 2.950 -0.013 -0.708 1.00 15.00 C ATOM 275 CD1 TYR A 383 3.411 -1.194 -1.277 1.00 15.00 C ATOM 276 CD2 TYR A 383 3.301 1.187 -1.312 1.00 15.00 C ATOM 277 CE1 TYR A 383 4.195 -1.176 -2.413 1.00 15.00 C ATOM 278 CE2 TYR A 383 4.082 1.211 -2.448 1.00 15.00 C ATOM 279 CZ TYR A 383 4.526 0.029 -2.993 1.00 15.00 C ATOM 280 OH TYR A 383 5.308 0.051 -4.122 1.00 15.00 O ATOM 0 H TYR A 383 0.332 1.251 -1.015 1.00 15.00 H new ATOM 0 HA TYR A 383 0.550 -1.477 0.144 1.00 15.00 H new ATOM 0 HB2 TYR A 383 2.115 0.958 0.996 1.00 15.00 H new ATOM 0 HB3 TYR A 383 2.495 -0.735 1.245 1.00 15.00 H new ATOM 0 HD1 TYR A 383 3.152 -2.140 -0.824 1.00 15.00 H new ATOM 0 HD2 TYR A 383 2.956 2.117 -0.885 1.00 15.00 H new ATOM 0 HE1 TYR A 383 4.547 -2.101 -2.845 1.00 15.00 H new ATOM 0 HE2 TYR A 383 4.344 2.153 -2.907 1.00 15.00 H new ATOM 0 HH TYR A 383 5.448 0.979 -4.405 1.00 15.00 H new ATOM 290 N VAL A 384 -0.725 -0.878 2.220 1.00 15.00 N ATOM 291 CA VAL A 384 -1.685 -0.580 3.283 1.00 15.00 C ATOM 292 C VAL A 384 -1.027 -0.631 4.640 1.00 15.00 C ATOM 293 O VAL A 384 -0.659 -1.701 5.104 1.00 15.00 O ATOM 294 CB VAL A 384 -2.825 -1.597 3.309 1.00 15.00 C ATOM 295 CG1 VAL A 384 -4.153 -0.903 3.475 1.00 15.00 C ATOM 296 CG2 VAL A 384 -2.790 -2.454 2.072 1.00 15.00 C ATOM 0 H VAL A 384 -0.441 -1.857 2.174 1.00 15.00 H new ATOM 0 HA VAL A 384 -2.068 0.419 3.073 1.00 15.00 H new ATOM 0 HB VAL A 384 -2.693 -2.254 4.169 1.00 15.00 H new ATOM 0 HG11 VAL A 384 -4.952 -1.645 3.491 1.00 15.00 H new ATOM 0 HG12 VAL A 384 -4.157 -0.345 4.411 1.00 15.00 H new ATOM 0 HG13 VAL A 384 -4.312 -0.217 2.643 1.00 15.00 H new ATOM 0 HG21 VAL A 384 -3.608 -3.174 2.105 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -2.897 -1.823 1.189 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -1.840 -2.986 2.025 1.00 15.00 H new ATOM 306 N ASN A 385 -0.914 0.497 5.305 1.00 15.00 N ATOM 307 CA ASN A 385 -0.203 0.525 6.568 1.00 15.00 C ATOM 308 C ASN A 385 -1.146 0.294 7.752 1.00 15.00 C ATOM 309 O ASN A 385 -2.106 1.037 7.913 1.00 15.00 O ATOM 310 CB ASN A 385 0.481 1.865 6.780 1.00 15.00 C ATOM 311 CG ASN A 385 1.275 1.854 8.061 1.00 15.00 C ATOM 312 OD1 ASN A 385 1.400 2.861 8.742 1.00 15.00 O ATOM 313 ND2 ASN A 385 1.819 0.693 8.389 1.00 15.00 N ATOM 0 H ASN A 385 -1.297 1.393 5.002 1.00 15.00 H new ATOM 0 HA ASN A 385 0.535 -0.276 6.521 1.00 15.00 H new ATOM 0 HB2 ASN A 385 1.139 2.081 5.939 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -0.264 2.659 6.814 1.00 15.00 H new ATOM 0 HD21 ASN A 385 2.371 0.611 9.243 1.00 15.00 H new ATOM 0 HD22 ASN A 385 1.686 -0.120 7.788 1.00 15.00 H new ATOM 320 N HIS A 386 -0.846 -0.688 8.615 1.00 15.00 N ATOM 321 CA HIS A 386 -1.710 -0.984 9.764 1.00 15.00 C ATOM 322 C HIS A 386 -1.323 -0.100 10.928 1.00 15.00 C ATOM 323 O HIS A 386 -2.052 0.051 11.902 1.00 15.00 O ATOM 324 CB HIS A 386 -1.619 -2.465 10.194 1.00 15.00 C ATOM 325 CG HIS A 386 -1.316 -3.373 9.058 1.00 15.00 C ATOM 326 ND1 HIS A 386 -1.587 -3.005 7.774 1.00 15.00 N ATOM 327 CD2 HIS A 386 -0.607 -4.520 8.978 1.00 15.00 C ATOM 328 CE1 HIS A 386 -1.048 -3.844 6.954 1.00 15.00 C ATOM 329 NE2 HIS A 386 -0.454 -4.790 7.647 1.00 15.00 N ATOM 0 H HIS A 386 -0.021 -1.284 8.540 1.00 15.00 H new ATOM 0 HA HIS A 386 -2.739 -0.788 9.462 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -0.846 -2.571 10.955 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -2.561 -2.765 10.652 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -0.234 -5.108 9.804 1.00 15.00 H new ATOM 0 HE1 HIS A 386 -1.080 -3.779 5.876 1.00 15.00 H new ATOM 0 HE2 HIS A 386 0.039 -5.593 7.256 1.00 15.00 H new ATOM 338 N ASN A 387 -0.156 0.483 10.782 1.00 15.00 N ATOM 339 CA ASN A 387 0.511 1.200 11.838 1.00 15.00 C ATOM 340 C ASN A 387 -0.034 2.618 11.962 1.00 15.00 C ATOM 341 O ASN A 387 -0.084 3.188 13.050 1.00 15.00 O ATOM 342 CB ASN A 387 1.998 1.190 11.505 1.00 15.00 C ATOM 343 CG ASN A 387 2.868 1.837 12.572 1.00 15.00 C ATOM 344 OD1 ASN A 387 3.187 3.025 12.495 1.00 15.00 O ATOM 345 ND2 ASN A 387 3.251 1.063 13.574 1.00 15.00 N ATOM 0 H ASN A 387 0.366 0.470 9.906 1.00 15.00 H new ATOM 0 HA ASN A 387 0.339 0.727 12.805 1.00 15.00 H new ATOM 0 HB2 ASN A 387 2.322 0.159 11.360 1.00 15.00 H new ATOM 0 HB3 ASN A 387 2.153 1.709 10.559 1.00 15.00 H new ATOM 0 HD21 ASN A 387 3.832 1.445 14.320 1.00 15.00 H new ATOM 0 HD22 ASN A 387 2.965 0.084 13.600 1.00 15.00 H new ATOM 352 N ASN A 388 -0.431 3.182 10.831 1.00 15.00 N ATOM 353 CA ASN A 388 -1.054 4.498 10.794 1.00 15.00 C ATOM 354 C ASN A 388 -2.501 4.391 10.331 1.00 15.00 C ATOM 355 O ASN A 388 -3.269 5.345 10.445 1.00 15.00 O ATOM 356 CB ASN A 388 -0.283 5.455 9.879 1.00 15.00 C ATOM 357 CG ASN A 388 1.090 5.819 10.420 1.00 15.00 C ATOM 358 OD1 ASN A 388 2.022 6.070 9.654 1.00 15.00 O ATOM 359 ND2 ASN A 388 1.222 5.861 11.738 1.00 15.00 N ATOM 0 H ASN A 388 -0.331 2.743 9.916 1.00 15.00 H new ATOM 0 HA ASN A 388 -1.032 4.902 11.806 1.00 15.00 H new ATOM 0 HB2 ASN A 388 -0.170 4.997 8.896 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -0.866 6.366 9.741 1.00 15.00 H new ATOM 0 HD21 ASN A 388 2.120 6.108 12.153 1.00 15.00 H new ATOM 0 HD22 ASN A 388 0.425 5.646 12.337 1.00 15.00 H new ATOM 366 N ARG A 389 -2.845 3.229 9.765 1.00 15.00 N ATOM 367 CA ARG A 389 -4.171 2.992 9.192 1.00 15.00 C ATOM 368 C ARG A 389 -4.336 3.796 7.909 1.00 15.00 C ATOM 369 O ARG A 389 -5.041 4.804 7.872 1.00 15.00 O ATOM 370 CB ARG A 389 -5.298 3.296 10.190 1.00 15.00 C ATOM 371 CG ARG A 389 -5.319 2.351 11.379 1.00 15.00 C ATOM 372 CD ARG A 389 -6.499 2.619 12.301 1.00 15.00 C ATOM 373 NE ARG A 389 -6.351 3.858 13.059 1.00 15.00 N ATOM 374 CZ ARG A 389 -7.097 4.169 14.116 1.00 15.00 C ATOM 375 NH1 ARG A 389 -8.067 3.357 14.518 1.00 15.00 N1+ ATOM 376 NH2 ARG A 389 -6.875 5.296 14.768 1.00 15.00 N ATOM 0 H ARG A 389 -2.214 2.431 9.692 1.00 15.00 H new ATOM 0 HA ARG A 389 -4.247 1.931 8.954 1.00 15.00 H new ATOM 0 HB2 ARG A 389 -5.189 4.319 10.550 1.00 15.00 H new ATOM 0 HB3 ARG A 389 -6.256 3.240 9.673 1.00 15.00 H new ATOM 0 HG2 ARG A 389 -5.364 1.322 11.023 1.00 15.00 H new ATOM 0 HG3 ARG A 389 -4.390 2.454 11.940 1.00 15.00 H new ATOM 0 HD2 ARG A 389 -7.413 2.667 11.710 1.00 15.00 H new ATOM 0 HD3 ARG A 389 -6.610 1.785 12.994 1.00 15.00 H new ATOM 0 HE ARG A 389 -5.636 4.522 12.762 1.00 15.00 H new ATOM 0 HH11 ARG A 389 -8.245 2.487 14.016 1.00 15.00 H new ATOM 0 HH12 ARG A 389 -8.634 3.603 15.329 1.00 15.00 H new ATOM 0 HH21 ARG A 389 -6.133 5.925 14.461 1.00 15.00 H new ATOM 0 HH22 ARG A 389 -7.445 5.537 15.579 1.00 15.00 H new ATOM 390 N THR A 390 -3.615 3.382 6.871 1.00 15.00 N ATOM 391 CA THR A 390 -3.529 4.169 5.655 1.00 15.00 C ATOM 392 C THR A 390 -3.491 3.298 4.382 1.00 15.00 C ATOM 393 O THR A 390 -2.969 2.183 4.411 1.00 15.00 O ATOM 394 CB THR A 390 -2.259 5.060 5.723 1.00 15.00 C ATOM 395 OG1 THR A 390 -2.434 6.091 6.701 1.00 15.00 O ATOM 396 CG2 THR A 390 -1.887 5.674 4.376 1.00 15.00 C ATOM 0 H THR A 390 -3.086 2.510 6.852 1.00 15.00 H new ATOM 0 HA THR A 390 -4.428 4.781 5.590 1.00 15.00 H new ATOM 0 HB THR A 390 -1.433 4.410 6.011 1.00 15.00 H new ATOM 0 HG1 THR A 390 -1.628 6.647 6.738 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.992 6.285 4.490 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.695 4.880 3.655 1.00 15.00 H new ATOM 0 HG23 THR A 390 -2.708 6.296 4.020 1.00 15.00 H new ATOM 404 N THR A 391 -4.048 3.820 3.275 1.00 15.00 N ATOM 405 CA THR A 391 -3.991 3.175 1.973 1.00 15.00 C ATOM 406 C THR A 391 -3.502 4.195 0.923 1.00 15.00 C ATOM 407 O THR A 391 -4.204 5.168 0.631 1.00 15.00 O ATOM 408 CB THR A 391 -5.387 2.637 1.584 1.00 15.00 C ATOM 409 OG1 THR A 391 -5.432 2.340 0.192 1.00 15.00 O ATOM 410 CG2 THR A 391 -6.487 3.630 1.934 1.00 15.00 C ATOM 0 H THR A 391 -4.551 4.707 3.270 1.00 15.00 H new ATOM 0 HA THR A 391 -3.297 2.336 2.014 1.00 15.00 H new ATOM 0 HB THR A 391 -5.559 1.725 2.156 1.00 15.00 H new ATOM 0 HG1 THR A 391 -4.887 1.546 0.009 1.00 15.00 H new ATOM 0 HG21 THR A 391 -7.454 3.218 1.646 1.00 15.00 H new ATOM 0 HG22 THR A 391 -6.478 3.819 3.007 1.00 15.00 H new ATOM 0 HG23 THR A 391 -6.317 4.565 1.399 1.00 15.00 H new ATOM 418 N THR A 392 -2.290 4.017 0.383 1.00 15.00 N ATOM 419 CA THR A 392 -1.696 5.064 -0.443 1.00 15.00 C ATOM 420 C THR A 392 -0.748 4.518 -1.522 1.00 15.00 C ATOM 421 O THR A 392 -0.152 3.452 -1.353 1.00 15.00 O ATOM 422 CB THR A 392 -0.967 6.085 0.448 1.00 15.00 C ATOM 423 OG1 THR A 392 -0.598 7.240 -0.319 1.00 15.00 O ATOM 424 CG2 THR A 392 0.268 5.477 1.106 1.00 15.00 C ATOM 0 H THR A 392 -1.718 3.181 0.501 1.00 15.00 H new ATOM 0 HA THR A 392 -2.514 5.553 -0.972 1.00 15.00 H new ATOM 0 HB THR A 392 -1.655 6.383 1.239 1.00 15.00 H new ATOM 0 HG1 THR A 392 0.361 7.410 -0.214 1.00 15.00 H new ATOM 0 HG21 THR A 392 0.756 6.228 1.727 1.00 15.00 H new ATOM 0 HG22 THR A 392 -0.029 4.631 1.726 1.00 15.00 H new ATOM 0 HG23 THR A 392 0.960 5.137 0.336 1.00 15.00 H new ATOM 432 N TRP A 393 -0.654 5.245 -2.650 1.00 15.00 N ATOM 433 CA TRP A 393 0.305 4.918 -3.716 1.00 15.00 C ATOM 434 C TRP A 393 1.725 5.271 -3.292 1.00 15.00 C ATOM 435 O TRP A 393 2.696 4.889 -3.948 1.00 15.00 O ATOM 436 CB TRP A 393 0.031 5.711 -5.001 1.00 15.00 C ATOM 437 CG TRP A 393 -1.370 5.660 -5.530 1.00 15.00 C ATOM 438 CD1 TRP A 393 -2.105 6.726 -5.955 1.00 15.00 C ATOM 439 CD2 TRP A 393 -2.193 4.509 -5.711 1.00 15.00 C ATOM 440 NE1 TRP A 393 -3.332 6.308 -6.396 1.00 15.00 N ATOM 441 CE2 TRP A 393 -3.411 4.951 -6.251 1.00 15.00 C ATOM 442 CE3 TRP A 393 -2.022 3.149 -5.469 1.00 15.00 C ATOM 443 CZ2 TRP A 393 -4.445 4.080 -6.554 1.00 15.00 C ATOM 444 CZ3 TRP A 393 -3.054 2.285 -5.770 1.00 15.00 C ATOM 445 CH2 TRP A 393 -4.252 2.753 -6.308 1.00 15.00 C ATOM 0 H TRP A 393 -1.232 6.063 -2.845 1.00 15.00 H new ATOM 0 HA TRP A 393 0.193 3.849 -3.899 1.00 15.00 H new ATOM 0 HB2 TRP A 393 0.290 6.754 -4.820 1.00 15.00 H new ATOM 0 HB3 TRP A 393 0.703 5.346 -5.778 1.00 15.00 H new ATOM 0 HD1 TRP A 393 -1.768 7.752 -5.945 1.00 15.00 H new ATOM 0 HE1 TRP A 393 -4.066 6.910 -6.771 1.00 15.00 H new ATOM 0 HE3 TRP A 393 -1.097 2.777 -5.053 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 -5.374 4.440 -6.971 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 -2.932 1.228 -5.586 1.00 15.00 H new ATOM 0 HH2 TRP A 393 -5.042 2.052 -6.534 1.00 15.00 H new ATOM 456 N THR A 394 1.833 6.037 -2.222 1.00 15.00 N ATOM 457 CA THR A 394 3.104 6.604 -1.808 1.00 15.00 C ATOM 458 C THR A 394 4.053 5.531 -1.280 1.00 15.00 C ATOM 459 O THR A 394 3.648 4.632 -0.539 1.00 15.00 O ATOM 460 CB THR A 394 2.887 7.669 -0.715 1.00 15.00 C ATOM 461 OG1 THR A 394 1.766 8.496 -1.064 1.00 15.00 O ATOM 462 CG2 THR A 394 4.122 8.541 -0.546 1.00 15.00 C ATOM 0 H THR A 394 1.048 6.283 -1.619 1.00 15.00 H new ATOM 0 HA THR A 394 3.555 7.064 -2.688 1.00 15.00 H new ATOM 0 HB THR A 394 2.694 7.156 0.227 1.00 15.00 H new ATOM 0 HG1 THR A 394 1.628 9.171 -0.367 1.00 15.00 H new ATOM 0 HG21 THR A 394 3.940 9.283 0.231 1.00 15.00 H new ATOM 0 HG22 THR A 394 4.971 7.919 -0.262 1.00 15.00 H new ATOM 0 HG23 THR A 394 4.342 9.047 -1.486 1.00 15.00 H new ATOM 470 N ARG A 395 5.316 5.636 -1.673 1.00 15.00 N ATOM 471 CA ARG A 395 6.345 4.721 -1.206 1.00 15.00 C ATOM 472 C ARG A 395 6.632 4.962 0.269 1.00 15.00 C ATOM 473 O ARG A 395 6.915 6.086 0.686 1.00 15.00 O ATOM 474 CB ARG A 395 7.618 4.888 -2.034 1.00 15.00 C ATOM 475 CG ARG A 395 7.501 4.303 -3.431 1.00 15.00 C ATOM 476 CD ARG A 395 7.384 2.786 -3.386 1.00 15.00 C ATOM 477 NE ARG A 395 8.631 2.159 -2.953 1.00 15.00 N ATOM 478 CZ ARG A 395 8.764 0.865 -2.684 1.00 15.00 C ATOM 479 NH1 ARG A 395 7.750 0.029 -2.861 1.00 15.00 N1+ ATOM 480 NH2 ARG A 395 9.923 0.387 -2.269 1.00 15.00 N ATOM 0 H ARG A 395 5.652 6.351 -2.318 1.00 15.00 H new ATOM 0 HA ARG A 395 5.987 3.699 -1.327 1.00 15.00 H new ATOM 0 HB2 ARG A 395 7.859 5.948 -2.110 1.00 15.00 H new ATOM 0 HB3 ARG A 395 8.448 4.409 -1.514 1.00 15.00 H new ATOM 0 HG2 ARG A 395 6.628 4.723 -3.932 1.00 15.00 H new ATOM 0 HG3 ARG A 395 8.373 4.586 -4.020 1.00 15.00 H new ATOM 0 HD2 ARG A 395 6.580 2.503 -2.707 1.00 15.00 H new ATOM 0 HD3 ARG A 395 7.113 2.413 -4.374 1.00 15.00 H new ATOM 0 HE ARG A 395 9.453 2.754 -2.851 1.00 15.00 H new ATOM 0 HH11 ARG A 395 6.856 0.378 -3.207 1.00 15.00 H new ATOM 0 HH12 ARG A 395 7.864 -0.963 -2.651 1.00 15.00 H new ATOM 0 HH21 ARG A 395 10.721 1.012 -2.154 1.00 15.00 H new ATOM 0 HH22 ARG A 395 10.020 -0.607 -2.064 1.00 15.00 H new ATOM 494 N PRO A 396 6.567 3.897 1.070 1.00 15.00 N ATOM 495 CA PRO A 396 6.691 3.980 2.526 1.00 15.00 C ATOM 496 C PRO A 396 8.101 4.335 2.978 1.00 15.00 C ATOM 497 O PRO A 396 9.079 3.722 2.555 1.00 15.00 O ATOM 498 CB PRO A 396 6.332 2.563 2.998 1.00 15.00 C ATOM 499 CG PRO A 396 5.672 1.919 1.826 1.00 15.00 C ATOM 500 CD PRO A 396 6.329 2.521 0.626 1.00 15.00 C ATOM 0 HA PRO A 396 6.053 4.763 2.936 1.00 15.00 H new ATOM 0 HB2 PRO A 396 7.222 2.011 3.302 1.00 15.00 H new ATOM 0 HB3 PRO A 396 5.665 2.592 3.860 1.00 15.00 H new ATOM 0 HG2 PRO A 396 5.803 0.837 1.846 1.00 15.00 H new ATOM 0 HG3 PRO A 396 4.599 2.110 1.825 1.00 15.00 H new ATOM 0 HD2 PRO A 396 7.256 2.009 0.368 1.00 15.00 H new ATOM 0 HD3 PRO A 396 5.687 2.481 -0.254 1.00 15.00 H new ATOM 616 N PRO B 180 -7.924 6.190 -7.387 1.00 15.00 N ATOM 617 CA PRO B 180 -7.326 5.803 -6.120 1.00 15.00 C ATOM 618 C PRO B 180 -7.446 4.436 -5.516 1.00 15.00 C ATOM 619 O PRO B 180 -8.196 3.542 -5.929 1.00 15.00 O ATOM 620 CB PRO B 180 -7.996 6.791 -5.189 1.00 15.00 C ATOM 621 CG PRO B 180 -7.589 7.929 -5.940 1.00 15.00 C ATOM 622 CD PRO B 180 -8.249 7.629 -7.275 1.00 15.00 C ATOM 0 HA PRO B 180 -6.249 5.795 -6.288 1.00 15.00 H new ATOM 0 HB2 PRO B 180 -9.077 6.670 -5.120 1.00 15.00 H new ATOM 0 HB3 PRO B 180 -7.608 6.772 -4.171 1.00 15.00 H new ATOM 0 HG2 PRO B 180 -7.943 8.863 -5.503 1.00 15.00 H new ATOM 0 HG3 PRO B 180 -6.505 8.006 -6.021 1.00 15.00 H new ATOM 0 HD2 PRO B 180 -9.323 7.817 -7.264 1.00 15.00 H new ATOM 0 HD3 PRO B 180 -7.831 8.218 -8.091 1.00 15.00 H new ATOM 630 N PRO B 181 -6.619 4.347 -4.457 1.00 15.00 N ATOM 631 CA PRO B 181 -6.382 3.158 -3.644 1.00 15.00 C ATOM 632 C PRO B 181 -7.649 2.509 -3.099 1.00 15.00 C ATOM 633 O PRO B 181 -8.613 3.188 -2.738 1.00 15.00 O ATOM 634 CB PRO B 181 -5.538 3.700 -2.479 1.00 15.00 C ATOM 635 CG PRO B 181 -5.667 5.191 -2.542 1.00 15.00 C ATOM 636 CD PRO B 181 -5.835 5.515 -3.950 1.00 15.00 C ATOM 0 HA PRO B 181 -5.911 2.373 -4.235 1.00 15.00 H new ATOM 0 HB2 PRO B 181 -5.897 3.316 -1.524 1.00 15.00 H new ATOM 0 HB3 PRO B 181 -4.496 3.393 -2.574 1.00 15.00 H new ATOM 0 HG2 PRO B 181 -6.520 5.535 -1.957 1.00 15.00 H new ATOM 0 HG3 PRO B 181 -4.782 5.678 -2.132 1.00 15.00 H new ATOM 0 HD2 PRO B 181 -6.370 6.455 -4.090 1.00 15.00 H new ATOM 0 HD3 PRO B 181 -4.877 5.614 -4.461 1.00 15.00 H new ATOM 644 N PRO B 182 -7.634 1.174 -3.030 1.00 15.00 N ATOM 645 CA PRO B 182 -8.657 0.389 -2.339 1.00 15.00 C ATOM 646 C PRO B 182 -8.534 0.591 -0.827 1.00 15.00 C ATOM 647 O PRO B 182 -7.442 0.855 -0.337 1.00 15.00 O ATOM 648 CB PRO B 182 -8.330 -1.065 -2.731 1.00 15.00 C ATOM 649 CG PRO B 182 -7.331 -0.971 -3.843 1.00 15.00 C ATOM 650 CD PRO B 182 -6.600 0.313 -3.621 1.00 15.00 C ATOM 0 HA PRO B 182 -9.675 0.671 -2.607 1.00 15.00 H new ATOM 0 HB2 PRO B 182 -7.922 -1.616 -1.884 1.00 15.00 H new ATOM 0 HB3 PRO B 182 -9.226 -1.594 -3.054 1.00 15.00 H new ATOM 0 HG2 PRO B 182 -6.647 -1.819 -3.827 1.00 15.00 H new ATOM 0 HG3 PRO B 182 -7.825 -0.978 -4.815 1.00 15.00 H new ATOM 0 HD2 PRO B 182 -5.749 0.184 -2.952 1.00 15.00 H new ATOM 0 HD3 PRO B 182 -6.213 0.725 -4.553 1.00 15.00 H new ATOM 658 N GLY B 183 -9.653 0.489 -0.105 1.00 15.00 N ATOM 659 CA GLY B 183 -9.677 0.782 1.331 1.00 15.00 C ATOM 660 C GLY B 183 -8.573 0.107 2.149 1.00 15.00 C ATOM 661 O GLY B 183 -7.881 -0.788 1.671 1.00 15.00 O ATOM 0 H GLY B 183 -10.554 0.206 -0.491 1.00 15.00 H new ATOM 0 HA2 GLY B 183 -9.601 1.861 1.467 1.00 15.00 H new ATOM 0 HA3 GLY B 183 -10.643 0.477 1.732 1.00 15.00 H new ATOM 665 N TYR B 184 -8.462 0.501 3.414 1.00 15.00 N ATOM 666 CA TYR B 184 -7.340 0.086 4.253 1.00 15.00 C ATOM 667 C TYR B 184 -7.609 -1.234 5.008 1.00 15.00 C ATOM 668 O TYR B 184 -8.656 -1.399 5.636 1.00 15.00 O ATOM 669 CB TYR B 184 -6.962 1.216 5.236 1.00 15.00 C ATOM 670 CG TYR B 184 -6.399 0.714 6.549 1.00 15.00 C ATOM 671 CD1 TYR B 184 -5.091 0.265 6.665 1.00 15.00 C ATOM 672 CD2 TYR B 184 -7.208 0.672 7.679 1.00 15.00 C ATOM 673 CE1 TYR B 184 -4.613 -0.214 7.872 1.00 15.00 C ATOM 674 CE2 TYR B 184 -6.734 0.201 8.885 1.00 15.00 C ATOM 675 CZ TYR B 184 -5.437 -0.241 8.976 1.00 15.00 C ATOM 676 OH TYR B 184 -4.962 -0.720 10.176 1.00 15.00 O ATOM 0 H TYR B 184 -9.135 1.108 3.882 1.00 15.00 H new ATOM 0 HA TYR B 184 -6.498 -0.108 3.588 1.00 15.00 H new ATOM 0 HB2 TYR B 184 -6.229 1.869 4.762 1.00 15.00 H new ATOM 0 HB3 TYR B 184 -7.845 1.822 5.437 1.00 15.00 H new ATOM 0 HD1 TYR B 184 -4.439 0.290 5.804 1.00 15.00 H new ATOM 0 HD2 TYR B 184 -8.230 1.016 7.611 1.00 15.00 H new ATOM 0 HE1 TYR B 184 -3.595 -0.566 7.949 1.00 15.00 H new ATOM 0 HE2 TYR B 184 -7.378 0.180 9.752 1.00 15.00 H new ATOM 0 HH TYR B 184 -5.715 -0.900 10.777 1.00 15.00 H new ATOM 686 N LEU B 185 -6.611 -2.144 4.965 1.00 15.00 N ATOM 687 CA LEU B 185 -6.684 -3.475 5.555 1.00 15.00 C ATOM 688 C LEU B 185 -7.907 -4.249 5.160 1.00 15.00 C ATOM 689 O LEU B 185 -8.824 -4.494 5.944 1.00 15.00 O ATOM 690 CB LEU B 185 -6.458 -3.495 7.056 1.00 15.00 C ATOM 691 CG LEU B 185 -5.007 -3.682 7.447 1.00 15.00 C ATOM 692 CD1 LEU B 185 -4.852 -3.647 8.960 1.00 15.00 C ATOM 693 CD2 LEU B 185 -4.473 -4.994 6.886 1.00 15.00 C ATOM 0 H LEU B 185 -5.719 -1.958 4.507 1.00 15.00 H new ATOM 0 HA LEU B 185 -5.838 -4.002 5.115 1.00 15.00 H new ATOM 0 HB2 LEU B 185 -6.823 -2.561 7.483 1.00 15.00 H new ATOM 0 HB3 LEU B 185 -7.050 -4.299 7.494 1.00 15.00 H new ATOM 0 HG LEU B 185 -4.427 -2.862 7.025 1.00 15.00 H new ATOM 0 HD11 LEU B 185 -3.803 -3.783 9.221 1.00 15.00 H new ATOM 0 HD12 LEU B 185 -5.199 -2.686 9.339 1.00 15.00 H new ATOM 0 HD13 LEU B 185 -5.443 -4.447 9.405 1.00 15.00 H new ATOM 0 HD21 LEU B 185 -3.429 -5.115 7.175 1.00 15.00 H new ATOM 0 HD22 LEU B 185 -5.058 -5.824 7.282 1.00 15.00 H new ATOM 0 HD23 LEU B 185 -4.550 -4.983 5.799 1.00 15.00 H new ATOM 705 N SER B 186 -7.910 -4.550 3.895 1.00 15.00 N ATOM 706 CA SER B 186 -8.691 -5.606 3.344 1.00 15.00 C ATOM 707 C SER B 186 -7.912 -6.099 2.146 1.00 15.00 C ATOM 708 O SER B 186 -7.952 -5.499 1.069 1.00 15.00 O ATOM 709 CB SER B 186 -10.069 -5.079 2.966 1.00 15.00 C ATOM 710 OG SER B 186 -10.848 -6.054 2.294 1.00 15.00 O ATOM 0 H SER B 186 -7.352 -4.051 3.203 1.00 15.00 H new ATOM 0 HA SER B 186 -8.861 -6.423 4.045 1.00 15.00 H new ATOM 0 HB2 SER B 186 -10.592 -4.755 3.866 1.00 15.00 H new ATOM 0 HB3 SER B 186 -9.959 -4.202 2.329 1.00 15.00 H new ATOM 0 HG SER B 186 -11.724 -5.676 2.071 1.00 15.00 H new ATOM 716 N GLU B 187 -7.187 -7.183 2.338 1.00 15.00 N ATOM 717 CA GLU B 187 -6.198 -7.592 1.365 1.00 15.00 C ATOM 718 C GLU B 187 -6.505 -9.006 0.915 1.00 15.00 C ATOM 719 O GLU B 187 -6.490 -9.945 1.715 1.00 15.00 O ATOM 720 CB GLU B 187 -4.762 -7.450 1.942 1.00 15.00 C ATOM 721 CG GLU B 187 -4.516 -6.138 2.677 1.00 15.00 C ATOM 722 CD GLU B 187 -4.919 -4.919 1.877 1.00 15.00 C ATOM 723 OE1 GLU B 187 -4.536 -4.821 0.691 1.00 15.00 O ATOM 724 OE2 GLU B 187 -5.609 -4.047 2.442 1.00 15.00 O1- ATOM 0 H GLU B 187 -7.264 -7.792 3.153 1.00 15.00 H new ATOM 0 HA GLU B 187 -6.242 -6.939 0.493 1.00 15.00 H new ATOM 0 HB2 GLU B 187 -4.572 -8.278 2.625 1.00 15.00 H new ATOM 0 HB3 GLU B 187 -4.044 -7.538 1.127 1.00 15.00 H new ATOM 0 HG2 GLU B 187 -5.069 -6.147 3.616 1.00 15.00 H new ATOM 0 HG3 GLU B 187 -3.458 -6.064 2.930 1.00 15.00 H new