USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 338 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= 0.543 USER MOD Set 1.2: A 394 THR OG1 : rot 180:sc= 0.431 USER MOD Set 2.1: A 386 HIS : no HD1:sc= 0.748 K(o=1.8,f=-4.1!) USER MOD Set 2.2: B 211 TYR OH : rot -101:sc= 1.01 USER MOD Set 3.1: A 385 ASN : amide:sc= -4.6! C(o=-7.9!,f=-8.1!) USER MOD Set 3.2: A 388 ASN : amide:sc= -3.35! C(o=-7.9!,f=-20!) USER MOD Single : A 369 SER OG : rot 180:sc= 0.0514 USER MOD Single : A 375 LYS NZ :NH3+ 165:sc=-0.00127 (180deg=-0.123) USER MOD Single : A 378 LYS NZ :NH3+ 175:sc= 2.18 (180deg=2.08) USER MOD Single : A 381 THR OG1 : rot 49:sc= 1.03 USER MOD Single : A 382 TYR OH : rot -159:sc= 1.23 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 387 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 391 THR OG1 : rot -160:sc= 0 USER MOD Single : B 206 SER OG : rot 180:sc= 0.0255 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N LEU A 367 -12.619 1.021 -0.542 1.00 15.00 N ATOM 25 CA LEU A 367 -11.585 2.043 -0.555 1.00 15.00 C ATOM 26 C LEU A 367 -11.869 3.082 0.533 1.00 15.00 C ATOM 27 O LEU A 367 -12.819 3.859 0.415 1.00 15.00 O ATOM 28 CB LEU A 367 -11.521 2.709 -1.939 1.00 15.00 C ATOM 29 CG LEU A 367 -10.200 3.419 -2.286 1.00 15.00 C ATOM 30 CD1 LEU A 367 -10.119 3.688 -3.781 1.00 15.00 C ATOM 31 CD2 LEU A 367 -10.055 4.729 -1.520 1.00 15.00 C ATOM 0 HA LEU A 367 -10.619 1.581 -0.351 1.00 15.00 H new ATOM 0 HB2 LEU A 367 -11.711 1.948 -2.696 1.00 15.00 H new ATOM 0 HB3 LEU A 367 -12.330 3.436 -2.008 1.00 15.00 H new ATOM 0 HG LEU A 367 -9.384 2.758 -1.993 1.00 15.00 H new ATOM 0 HD11 LEU A 367 -9.179 4.190 -4.010 1.00 15.00 H new ATOM 0 HD12 LEU A 367 -10.167 2.744 -4.324 1.00 15.00 H new ATOM 0 HD13 LEU A 367 -10.952 4.323 -4.082 1.00 15.00 H new ATOM 0 HD21 LEU A 367 -9.112 5.205 -1.788 1.00 15.00 H new ATOM 0 HD22 LEU A 367 -10.881 5.393 -1.774 1.00 15.00 H new ATOM 0 HD23 LEU A 367 -10.068 4.528 -0.449 1.00 15.00 H new ATOM 43 N PRO A 368 -11.083 3.091 1.624 1.00 15.00 N ATOM 44 CA PRO A 368 -11.216 4.088 2.677 1.00 15.00 C ATOM 45 C PRO A 368 -10.350 5.320 2.413 1.00 15.00 C ATOM 46 O PRO A 368 -9.260 5.220 1.845 1.00 15.00 O ATOM 47 CB PRO A 368 -10.722 3.352 3.932 1.00 15.00 C ATOM 48 CG PRO A 368 -10.059 2.091 3.465 1.00 15.00 C ATOM 49 CD PRO A 368 -10.050 2.103 1.960 1.00 15.00 C ATOM 0 HA PRO A 368 -12.237 4.461 2.759 1.00 15.00 H new ATOM 0 HB2 PRO A 368 -10.022 3.972 4.492 1.00 15.00 H new ATOM 0 HB3 PRO A 368 -11.553 3.127 4.600 1.00 15.00 H new ATOM 0 HG2 PRO A 368 -9.042 2.029 3.852 1.00 15.00 H new ATOM 0 HG3 PRO A 368 -10.595 1.218 3.836 1.00 15.00 H new ATOM 0 HD2 PRO A 368 -9.075 2.390 1.566 1.00 15.00 H new ATOM 0 HD3 PRO A 368 -10.283 1.121 1.548 1.00 15.00 H new ATOM 57 N SER A 369 -10.829 6.478 2.850 1.00 15.00 N ATOM 58 CA SER A 369 -10.132 7.734 2.621 1.00 15.00 C ATOM 59 C SER A 369 -8.849 7.794 3.443 1.00 15.00 C ATOM 60 O SER A 369 -8.877 7.710 4.673 1.00 15.00 O ATOM 61 CB SER A 369 -11.057 8.905 2.960 1.00 15.00 C ATOM 62 OG SER A 369 -11.843 8.616 4.107 1.00 15.00 O ATOM 0 H SER A 369 -11.703 6.572 3.368 1.00 15.00 H new ATOM 0 HA SER A 369 -9.854 7.802 1.569 1.00 15.00 H new ATOM 0 HB2 SER A 369 -10.464 9.802 3.138 1.00 15.00 H new ATOM 0 HB3 SER A 369 -11.708 9.116 2.112 1.00 15.00 H new ATOM 0 HG SER A 369 -12.425 9.379 4.306 1.00 15.00 H new ATOM 68 N GLY A 370 -7.728 7.922 2.754 1.00 15.00 N ATOM 69 CA GLY A 370 -6.439 7.902 3.413 1.00 15.00 C ATOM 70 C GLY A 370 -5.581 6.775 2.888 1.00 15.00 C ATOM 71 O GLY A 370 -4.362 6.763 3.073 1.00 15.00 O ATOM 0 H GLY A 370 -7.687 8.040 1.742 1.00 15.00 H new ATOM 0 HA2 GLY A 370 -5.931 8.854 3.256 1.00 15.00 H new ATOM 0 HA3 GLY A 370 -6.578 7.788 4.488 1.00 15.00 H new ATOM 75 N TRP A 371 -6.234 5.827 2.226 1.00 15.00 N ATOM 76 CA TRP A 371 -5.552 4.709 1.604 1.00 15.00 C ATOM 77 C TRP A 371 -5.256 5.011 0.141 1.00 15.00 C ATOM 78 O TRP A 371 -6.157 5.329 -0.633 1.00 15.00 O ATOM 79 CB TRP A 371 -6.406 3.445 1.698 1.00 15.00 C ATOM 80 CG TRP A 371 -6.421 2.797 3.054 1.00 15.00 C ATOM 81 CD1 TRP A 371 -7.018 3.262 4.197 1.00 15.00 C ATOM 82 CD2 TRP A 371 -5.811 1.548 3.400 1.00 15.00 C ATOM 83 NE1 TRP A 371 -6.842 2.358 5.219 1.00 15.00 N ATOM 84 CE2 TRP A 371 -6.095 1.305 4.758 1.00 15.00 C ATOM 85 CE3 TRP A 371 -5.055 0.607 2.692 1.00 15.00 C ATOM 86 CZ2 TRP A 371 -5.651 0.162 5.420 1.00 15.00 C ATOM 87 CZ3 TRP A 371 -4.611 -0.524 3.351 1.00 15.00 C ATOM 88 CH2 TRP A 371 -4.910 -0.738 4.703 1.00 15.00 C ATOM 0 H TRP A 371 -7.247 5.815 2.108 1.00 15.00 H new ATOM 0 HA TRP A 371 -4.613 4.549 2.133 1.00 15.00 H new ATOM 0 HB2 TRP A 371 -7.430 3.693 1.417 1.00 15.00 H new ATOM 0 HB3 TRP A 371 -6.042 2.722 0.969 1.00 15.00 H new ATOM 0 HD1 TRP A 371 -7.548 4.199 4.283 1.00 15.00 H new ATOM 0 HE1 TRP A 371 -7.208 2.455 6.166 1.00 15.00 H new ATOM 0 HE3 TRP A 371 -4.822 0.762 1.649 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 -5.883 -0.008 6.461 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 -4.024 -1.255 2.815 1.00 15.00 H new ATOM 0 HH2 TRP A 371 -4.548 -1.632 5.189 1.00 15.00 H new ATOM 99 N GLU A 372 -3.994 4.918 -0.231 1.00 15.00 N ATOM 100 CA GLU A 372 -3.608 5.050 -1.621 1.00 15.00 C ATOM 101 C GLU A 372 -3.217 3.694 -2.185 1.00 15.00 C ATOM 102 O GLU A 372 -2.177 3.130 -1.841 1.00 15.00 O ATOM 103 CB GLU A 372 -2.474 6.057 -1.799 1.00 15.00 C ATOM 104 CG GLU A 372 -2.925 7.504 -1.821 1.00 15.00 C ATOM 105 CD GLU A 372 -1.787 8.440 -2.160 1.00 15.00 C ATOM 106 OE1 GLU A 372 -1.485 8.600 -3.362 1.00 15.00 O1- ATOM 107 OE2 GLU A 372 -1.178 9.005 -1.229 1.00 15.00 O ATOM 0 H GLU A 372 -3.219 4.751 0.411 1.00 15.00 H new ATOM 0 HA GLU A 372 -4.467 5.429 -2.174 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.755 5.925 -0.990 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -1.951 5.837 -2.730 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -3.725 7.625 -2.551 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -3.338 7.771 -0.848 1.00 15.00 H new ATOM 114 N GLU A 373 -4.084 3.164 -3.024 1.00 15.00 N ATOM 115 CA GLU A 373 -3.879 1.857 -3.621 1.00 15.00 C ATOM 116 C GLU A 373 -3.214 2.033 -4.963 1.00 15.00 C ATOM 117 O GLU A 373 -3.856 2.423 -5.940 1.00 15.00 O ATOM 118 CB GLU A 373 -5.218 1.170 -3.787 1.00 15.00 C ATOM 119 CG GLU A 373 -6.199 1.609 -2.729 1.00 15.00 C ATOM 120 CD GLU A 373 -7.615 1.165 -3.012 1.00 15.00 C ATOM 121 OE1 GLU A 373 -7.944 0.931 -4.196 1.00 15.00 O1- ATOM 122 OE2 GLU A 373 -8.399 1.025 -2.059 1.00 15.00 O ATOM 0 H GLU A 373 -4.948 3.624 -3.311 1.00 15.00 H new ATOM 0 HA GLU A 373 -3.243 1.244 -2.982 1.00 15.00 H new ATOM 0 HB2 GLU A 373 -5.622 1.392 -4.774 1.00 15.00 H new ATOM 0 HB3 GLU A 373 -5.083 0.090 -3.734 1.00 15.00 H new ATOM 0 HG2 GLU A 373 -5.886 1.211 -1.764 1.00 15.00 H new ATOM 0 HG3 GLU A 373 -6.175 2.696 -2.648 1.00 15.00 H new ATOM 129 N ARG A 374 -1.929 1.791 -5.007 1.00 15.00 N ATOM 130 CA ARG A 374 -1.151 2.187 -6.152 1.00 15.00 C ATOM 131 C ARG A 374 -0.391 1.011 -6.734 1.00 15.00 C ATOM 132 O ARG A 374 0.381 0.342 -6.047 1.00 15.00 O ATOM 133 CB ARG A 374 -0.228 3.322 -5.732 1.00 15.00 C ATOM 134 CG ARG A 374 -1.005 4.537 -5.229 1.00 15.00 C ATOM 135 CD ARG A 374 -0.100 5.540 -4.528 1.00 15.00 C ATOM 136 NE ARG A 374 1.013 5.969 -5.374 1.00 15.00 N ATOM 137 CZ ARG A 374 1.342 7.241 -5.596 1.00 15.00 C ATOM 138 NH1 ARG A 374 0.635 8.228 -5.055 1.00 15.00 N1+ ATOM 139 NH2 ARG A 374 2.388 7.528 -6.360 1.00 15.00 N ATOM 0 H ARG A 374 -1.402 1.325 -4.268 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.807 2.540 -6.947 1.00 15.00 H new ATOM 0 HB2 ARG A 374 0.444 2.972 -4.948 1.00 15.00 H new ATOM 0 HB3 ARG A 374 0.394 3.615 -6.578 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -1.503 5.022 -6.068 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -1.785 4.210 -4.542 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -0.686 6.411 -4.233 1.00 15.00 H new ATOM 0 HD3 ARG A 374 0.292 5.095 -3.613 1.00 15.00 H new ATOM 0 HE ARG A 374 1.575 5.246 -5.824 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -0.168 8.015 -4.463 1.00 15.00 H new ATOM 0 HH12 ARG A 374 0.896 9.198 -5.231 1.00 15.00 H new ATOM 0 HH21 ARG A 374 2.938 6.776 -6.776 1.00 15.00 H new ATOM 0 HH22 ARG A 374 2.642 8.501 -6.532 1.00 15.00 H new ATOM 153 N LYS A 375 -0.644 0.762 -8.007 1.00 15.00 N ATOM 154 CA LYS A 375 -0.053 -0.361 -8.709 1.00 15.00 C ATOM 155 C LYS A 375 1.178 0.092 -9.480 1.00 15.00 C ATOM 156 O LYS A 375 1.084 0.899 -10.405 1.00 15.00 O ATOM 157 CB LYS A 375 -1.075 -1.007 -9.660 1.00 15.00 C ATOM 158 CG LYS A 375 -2.229 -1.710 -8.946 1.00 15.00 C ATOM 159 CD LYS A 375 -3.235 -0.730 -8.356 1.00 15.00 C ATOM 160 CE LYS A 375 -4.273 -0.300 -9.382 1.00 15.00 C ATOM 161 NZ LYS A 375 -5.245 -1.388 -9.676 1.00 15.00 N1+ ATOM 0 H LYS A 375 -1.264 1.333 -8.582 1.00 15.00 H new ATOM 0 HA LYS A 375 0.248 -1.108 -7.975 1.00 15.00 H new ATOM 0 HB2 LYS A 375 -1.482 -0.238 -10.317 1.00 15.00 H new ATOM 0 HB3 LYS A 375 -0.560 -1.728 -10.295 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -2.739 -2.370 -9.649 1.00 15.00 H new ATOM 0 HG3 LYS A 375 -1.830 -2.339 -8.150 1.00 15.00 H new ATOM 0 HD2 LYS A 375 -3.735 -1.191 -7.504 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -2.710 0.148 -7.980 1.00 15.00 H new ATOM 0 HE2 LYS A 375 -4.808 0.575 -9.013 1.00 15.00 H new ATOM 0 HE3 LYS A 375 -3.772 -0.002 -10.303 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 -6.070 -0.992 -10.171 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 -4.792 -2.105 -10.277 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 -5.554 -1.828 -8.786 1.00 15.00 H new ATOM 175 N ASP A 376 2.325 -0.432 -9.089 1.00 15.00 N ATOM 176 CA ASP A 376 3.592 -0.039 -9.687 1.00 15.00 C ATOM 177 C ASP A 376 3.905 -0.930 -10.882 1.00 15.00 C ATOM 178 O ASP A 376 3.518 -2.096 -10.900 1.00 15.00 O ATOM 179 CB ASP A 376 4.709 -0.117 -8.653 1.00 15.00 C ATOM 180 CG ASP A 376 5.800 0.897 -8.927 1.00 15.00 C ATOM 181 OD1 ASP A 376 6.469 0.789 -9.974 1.00 15.00 O ATOM 182 OD2 ASP A 376 5.996 1.806 -8.098 1.00 15.00 O1- ATOM 0 H ASP A 376 2.407 -1.136 -8.355 1.00 15.00 H new ATOM 0 HA ASP A 376 3.515 0.992 -10.034 1.00 15.00 H new ATOM 0 HB2 ASP A 376 4.296 0.053 -7.659 1.00 15.00 H new ATOM 0 HB3 ASP A 376 5.136 -1.120 -8.654 1.00 15.00 H new ATOM 187 N ALA A 377 4.627 -0.382 -11.855 1.00 15.00 N ATOM 188 CA ALA A 377 4.809 -1.012 -13.170 1.00 15.00 C ATOM 189 C ALA A 377 5.478 -2.392 -13.106 1.00 15.00 C ATOM 190 O ALA A 377 5.343 -3.183 -14.039 1.00 15.00 O ATOM 191 CB ALA A 377 5.608 -0.089 -14.075 1.00 15.00 C ATOM 0 H ALA A 377 5.106 0.514 -11.759 1.00 15.00 H new ATOM 0 HA ALA A 377 3.811 -1.175 -13.576 1.00 15.00 H new ATOM 0 HB1 ALA A 377 5.741 -0.560 -15.049 1.00 15.00 H new ATOM 0 HB2 ALA A 377 5.073 0.853 -14.197 1.00 15.00 H new ATOM 0 HB3 ALA A 377 6.584 0.103 -13.629 1.00 15.00 H new ATOM 197 N LYS A 378 6.189 -2.687 -12.017 1.00 15.00 N ATOM 198 CA LYS A 378 6.783 -4.021 -11.833 1.00 15.00 C ATOM 199 C LYS A 378 5.680 -5.039 -11.601 1.00 15.00 C ATOM 200 O LYS A 378 5.896 -6.249 -11.659 1.00 15.00 O ATOM 201 CB LYS A 378 7.749 -4.090 -10.640 1.00 15.00 C ATOM 202 CG LYS A 378 8.809 -3.007 -10.603 1.00 15.00 C ATOM 203 CD LYS A 378 8.236 -1.712 -10.076 1.00 15.00 C ATOM 204 CE LYS A 378 9.313 -0.854 -9.433 1.00 15.00 C ATOM 205 NZ LYS A 378 8.734 0.238 -8.619 1.00 15.00 N1+ ATOM 0 H LYS A 378 6.369 -2.033 -11.255 1.00 15.00 H new ATOM 0 HA LYS A 378 7.348 -4.237 -12.740 1.00 15.00 H new ATOM 0 HB2 LYS A 378 7.168 -4.039 -9.719 1.00 15.00 H new ATOM 0 HB3 LYS A 378 8.245 -5.061 -10.650 1.00 15.00 H new ATOM 0 HG2 LYS A 378 9.639 -3.326 -9.972 1.00 15.00 H new ATOM 0 HG3 LYS A 378 9.211 -2.851 -11.604 1.00 15.00 H new ATOM 0 HD2 LYS A 378 7.767 -1.161 -10.891 1.00 15.00 H new ATOM 0 HD3 LYS A 378 7.455 -1.927 -9.346 1.00 15.00 H new ATOM 0 HE2 LYS A 378 9.948 -1.478 -8.804 1.00 15.00 H new ATOM 0 HE3 LYS A 378 9.951 -0.430 -10.209 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 9.497 0.748 -8.130 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 8.218 0.896 -9.238 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 8.079 -0.162 -7.917 1.00 15.00 H new ATOM 219 N GLY A 379 4.505 -4.522 -11.307 1.00 15.00 N ATOM 220 CA GLY A 379 3.381 -5.341 -10.965 1.00 15.00 C ATOM 221 C GLY A 379 3.304 -5.596 -9.481 1.00 15.00 C ATOM 222 O GLY A 379 2.969 -6.696 -9.043 1.00 15.00 O ATOM 0 H GLY A 379 4.311 -3.521 -11.301 1.00 15.00 H new ATOM 0 HA2 GLY A 379 2.463 -4.856 -11.298 1.00 15.00 H new ATOM 0 HA3 GLY A 379 3.450 -6.292 -11.494 1.00 15.00 H new ATOM 226 N ARG A 380 3.626 -4.568 -8.707 1.00 15.00 N ATOM 227 CA ARG A 380 3.505 -4.636 -7.262 1.00 15.00 C ATOM 228 C ARG A 380 2.353 -3.749 -6.824 1.00 15.00 C ATOM 229 O ARG A 380 2.407 -2.528 -6.979 1.00 15.00 O ATOM 230 CB ARG A 380 4.791 -4.179 -6.567 1.00 15.00 C ATOM 231 CG ARG A 380 6.067 -4.655 -7.240 1.00 15.00 C ATOM 232 CD ARG A 380 7.255 -4.553 -6.298 1.00 15.00 C ATOM 233 NE ARG A 380 7.221 -5.586 -5.262 1.00 15.00 N ATOM 234 CZ ARG A 380 7.988 -5.582 -4.173 1.00 15.00 C ATOM 235 NH1 ARG A 380 8.719 -4.516 -3.866 1.00 15.00 N1+ ATOM 236 NH2 ARG A 380 7.986 -6.633 -3.365 1.00 15.00 N ATOM 0 H ARG A 380 3.974 -3.676 -9.060 1.00 15.00 H new ATOM 0 HA ARG A 380 3.322 -5.673 -6.980 1.00 15.00 H new ATOM 0 HB2 ARG A 380 4.800 -3.090 -6.525 1.00 15.00 H new ATOM 0 HB3 ARG A 380 4.781 -4.537 -5.538 1.00 15.00 H new ATOM 0 HG2 ARG A 380 5.946 -5.688 -7.566 1.00 15.00 H new ATOM 0 HG3 ARG A 380 6.255 -4.059 -8.133 1.00 15.00 H new ATOM 0 HD2 ARG A 380 8.179 -4.642 -6.869 1.00 15.00 H new ATOM 0 HD3 ARG A 380 7.263 -3.569 -5.829 1.00 15.00 H new ATOM 0 HE ARG A 380 6.567 -6.360 -5.382 1.00 15.00 H new ATOM 0 HH11 ARG A 380 8.696 -3.692 -4.466 1.00 15.00 H new ATOM 0 HH12 ARG A 380 9.303 -4.522 -3.030 1.00 15.00 H new ATOM 0 HH21 ARG A 380 7.399 -7.439 -3.579 1.00 15.00 H new ATOM 0 HH22 ARG A 380 8.571 -6.635 -2.530 1.00 15.00 H new ATOM 250 N THR A 381 1.300 -4.359 -6.320 1.00 15.00 N ATOM 251 CA THR A 381 0.146 -3.611 -5.871 1.00 15.00 C ATOM 252 C THR A 381 0.246 -3.331 -4.375 1.00 15.00 C ATOM 253 O THR A 381 -0.201 -4.132 -3.554 1.00 15.00 O ATOM 254 CB THR A 381 -1.155 -4.386 -6.172 1.00 15.00 C ATOM 255 OG1 THR A 381 -1.144 -5.645 -5.486 1.00 15.00 O ATOM 256 CG2 THR A 381 -1.304 -4.637 -7.664 1.00 15.00 C ATOM 0 H THR A 381 1.220 -5.370 -6.211 1.00 15.00 H new ATOM 0 HA THR A 381 0.123 -2.664 -6.410 1.00 15.00 H new ATOM 0 HB THR A 381 -1.995 -3.782 -5.828 1.00 15.00 H new ATOM 0 HG1 THR A 381 -0.895 -5.505 -4.549 1.00 15.00 H new ATOM 0 HG21 THR A 381 -2.228 -5.184 -7.850 1.00 15.00 H new ATOM 0 HG22 THR A 381 -1.334 -3.684 -8.192 1.00 15.00 H new ATOM 0 HG23 THR A 381 -0.457 -5.223 -8.021 1.00 15.00 H new ATOM 264 N TYR A 382 0.856 -2.212 -4.011 1.00 15.00 N ATOM 265 CA TYR A 382 1.011 -1.885 -2.612 1.00 15.00 C ATOM 266 C TYR A 382 -0.060 -0.901 -2.164 1.00 15.00 C ATOM 267 O TYR A 382 -0.165 0.217 -2.669 1.00 15.00 O ATOM 268 CB TYR A 382 2.432 -1.374 -2.302 1.00 15.00 C ATOM 269 CG TYR A 382 2.992 -0.339 -3.263 1.00 15.00 C ATOM 270 CD1 TYR A 382 2.550 0.980 -3.255 1.00 15.00 C ATOM 271 CD2 TYR A 382 3.993 -0.683 -4.162 1.00 15.00 C ATOM 272 CE1 TYR A 382 3.084 1.919 -4.116 1.00 15.00 C ATOM 273 CE2 TYR A 382 4.535 0.252 -5.021 1.00 15.00 C ATOM 274 CZ TYR A 382 4.078 1.550 -4.996 1.00 15.00 C ATOM 275 OH TYR A 382 4.623 2.486 -5.849 1.00 15.00 O ATOM 0 H TYR A 382 1.245 -1.527 -4.659 1.00 15.00 H new ATOM 0 HA TYR A 382 0.876 -2.801 -2.036 1.00 15.00 H new ATOM 0 HB2 TYR A 382 2.432 -0.947 -1.299 1.00 15.00 H new ATOM 0 HB3 TYR A 382 3.108 -2.229 -2.285 1.00 15.00 H new ATOM 0 HD1 TYR A 382 1.775 1.275 -2.563 1.00 15.00 H new ATOM 0 HD2 TYR A 382 4.354 -1.700 -4.190 1.00 15.00 H new ATOM 0 HE1 TYR A 382 2.724 2.937 -4.099 1.00 15.00 H new ATOM 0 HE2 TYR A 382 5.315 -0.034 -5.711 1.00 15.00 H new ATOM 0 HH TYR A 382 5.045 2.031 -6.608 1.00 15.00 H new ATOM 285 N TYR A 383 -0.885 -1.352 -1.240 1.00 15.00 N ATOM 286 CA TYR A 383 -1.930 -0.522 -0.677 1.00 15.00 C ATOM 287 C TYR A 383 -1.382 0.190 0.550 1.00 15.00 C ATOM 288 O TYR A 383 -1.224 -0.419 1.608 1.00 15.00 O ATOM 289 CB TYR A 383 -3.154 -1.375 -0.315 1.00 15.00 C ATOM 290 CG TYR A 383 -3.718 -2.156 -1.487 1.00 15.00 C ATOM 291 CD1 TYR A 383 -3.065 -3.282 -1.981 1.00 15.00 C ATOM 292 CD2 TYR A 383 -4.891 -1.759 -2.111 1.00 15.00 C ATOM 293 CE1 TYR A 383 -3.566 -3.986 -3.058 1.00 15.00 C ATOM 294 CE2 TYR A 383 -5.396 -2.458 -3.191 1.00 15.00 C ATOM 295 CZ TYR A 383 -4.730 -3.570 -3.659 1.00 15.00 C ATOM 296 OH TYR A 383 -5.225 -4.262 -4.740 1.00 15.00 O ATOM 0 H TYR A 383 -0.850 -2.298 -0.861 1.00 15.00 H new ATOM 0 HA TYR A 383 -2.249 0.219 -1.410 1.00 15.00 H new ATOM 0 HB2 TYR A 383 -2.879 -2.072 0.477 1.00 15.00 H new ATOM 0 HB3 TYR A 383 -3.932 -0.726 0.087 1.00 15.00 H new ATOM 0 HD1 TYR A 383 -2.149 -3.611 -1.513 1.00 15.00 H new ATOM 0 HD2 TYR A 383 -5.418 -0.890 -1.747 1.00 15.00 H new ATOM 0 HE1 TYR A 383 -3.046 -4.858 -3.426 1.00 15.00 H new ATOM 0 HE2 TYR A 383 -6.310 -2.134 -3.667 1.00 15.00 H new ATOM 0 HH TYR A 383 -6.054 -3.840 -5.047 1.00 15.00 H new ATOM 306 N VAL A 384 -1.033 1.461 0.388 1.00 15.00 N ATOM 307 CA VAL A 384 -0.381 2.208 1.452 1.00 15.00 C ATOM 308 C VAL A 384 -1.337 3.193 2.112 1.00 15.00 C ATOM 309 O VAL A 384 -1.953 4.029 1.453 1.00 15.00 O ATOM 310 CB VAL A 384 0.884 2.943 0.949 1.00 15.00 C ATOM 311 CG1 VAL A 384 1.985 1.954 0.620 1.00 15.00 C ATOM 312 CG2 VAL A 384 0.588 3.803 -0.264 1.00 15.00 C ATOM 0 H VAL A 384 -1.191 1.993 -0.468 1.00 15.00 H new ATOM 0 HA VAL A 384 -0.071 1.478 2.200 1.00 15.00 H new ATOM 0 HB VAL A 384 1.218 3.596 1.755 1.00 15.00 H new ATOM 0 HG11 VAL A 384 2.865 2.493 0.268 1.00 15.00 H new ATOM 0 HG12 VAL A 384 2.241 1.384 1.513 1.00 15.00 H new ATOM 0 HG13 VAL A 384 1.641 1.273 -0.158 1.00 15.00 H new ATOM 0 HG21 VAL A 384 1.501 4.303 -0.587 1.00 15.00 H new ATOM 0 HG22 VAL A 384 0.212 3.175 -1.072 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -0.163 4.550 -0.006 1.00 15.00 H new ATOM 322 N ASN A 385 -1.464 3.075 3.421 1.00 15.00 N ATOM 323 CA ASN A 385 -2.380 3.906 4.186 1.00 15.00 C ATOM 324 C ASN A 385 -1.637 4.938 5.010 1.00 15.00 C ATOM 325 O ASN A 385 -0.758 4.596 5.802 1.00 15.00 O ATOM 326 CB ASN A 385 -3.230 3.037 5.106 1.00 15.00 C ATOM 327 CG ASN A 385 -4.180 3.846 5.972 1.00 15.00 C ATOM 328 OD1 ASN A 385 -4.588 4.950 5.615 1.00 15.00 O ATOM 329 ND2 ASN A 385 -4.549 3.299 7.121 1.00 15.00 N ATOM 0 H ASN A 385 -0.939 2.405 3.983 1.00 15.00 H new ATOM 0 HA ASN A 385 -3.021 4.431 3.478 1.00 15.00 H new ATOM 0 HB2 ASN A 385 -3.805 2.334 4.504 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -2.575 2.447 5.747 1.00 15.00 H new ATOM 0 HD21 ASN A 385 -5.190 3.796 7.740 1.00 15.00 H new ATOM 0 HD22 ASN A 385 -4.192 2.381 7.387 1.00 15.00 H new ATOM 336 N HIS A 386 -2.037 6.198 4.848 1.00 15.00 N ATOM 337 CA HIS A 386 -1.427 7.310 5.568 1.00 15.00 C ATOM 338 C HIS A 386 -1.928 7.364 7.010 1.00 15.00 C ATOM 339 O HIS A 386 -1.304 7.987 7.871 1.00 15.00 O ATOM 340 CB HIS A 386 -1.749 8.649 4.891 1.00 15.00 C ATOM 341 CG HIS A 386 -1.193 8.820 3.509 1.00 15.00 C ATOM 342 ND1 HIS A 386 -0.073 9.574 3.239 1.00 15.00 N ATOM 343 CD2 HIS A 386 -1.641 8.376 2.311 1.00 15.00 C ATOM 344 CE1 HIS A 386 0.142 9.589 1.937 1.00 15.00 C ATOM 345 NE2 HIS A 386 -0.794 8.870 1.350 1.00 15.00 N ATOM 0 H HIS A 386 -2.789 6.474 4.217 1.00 15.00 H new ATOM 0 HA HIS A 386 -0.349 7.146 5.558 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -2.832 8.763 4.845 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -1.370 9.455 5.519 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -2.504 7.749 2.143 1.00 15.00 H new ATOM 0 HE1 HIS A 386 0.949 10.104 1.437 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.876 8.707 0.346 1.00 15.00 H new ATOM 354 N ASN A 387 -3.074 6.735 7.263 1.00 15.00 N ATOM 355 CA ASN A 387 -3.699 6.784 8.583 1.00 15.00 C ATOM 356 C ASN A 387 -2.855 6.037 9.616 1.00 15.00 C ATOM 357 O ASN A 387 -2.762 6.438 10.775 1.00 15.00 O ATOM 358 CB ASN A 387 -5.122 6.211 8.528 1.00 15.00 C ATOM 359 CG ASN A 387 -5.852 6.288 9.858 1.00 15.00 C ATOM 360 OD1 ASN A 387 -5.596 7.168 10.678 1.00 15.00 O ATOM 361 ND2 ASN A 387 -6.784 5.367 10.072 1.00 15.00 N ATOM 0 H ASN A 387 -3.588 6.187 6.573 1.00 15.00 H new ATOM 0 HA ASN A 387 -3.760 7.828 8.890 1.00 15.00 H new ATOM 0 HB2 ASN A 387 -5.695 6.752 7.775 1.00 15.00 H new ATOM 0 HB3 ASN A 387 -5.075 5.170 8.207 1.00 15.00 H new ATOM 0 HD21 ASN A 387 -7.317 5.373 10.942 1.00 15.00 H new ATOM 0 HD22 ASN A 387 -6.967 4.653 9.367 1.00 15.00 H new ATOM 368 N ASN A 388 -2.255 4.935 9.185 1.00 15.00 N ATOM 369 CA ASN A 388 -1.415 4.119 10.065 1.00 15.00 C ATOM 370 C ASN A 388 0.034 3.999 9.560 1.00 15.00 C ATOM 371 O ASN A 388 0.904 3.545 10.303 1.00 15.00 O ATOM 372 CB ASN A 388 -2.024 2.723 10.268 1.00 15.00 C ATOM 373 CG ASN A 388 -2.413 2.037 8.968 1.00 15.00 C ATOM 374 OD1 ASN A 388 -1.888 2.350 7.901 1.00 15.00 O ATOM 375 ND2 ASN A 388 -3.344 1.096 9.042 1.00 15.00 N ATOM 0 H ASN A 388 -2.332 4.582 8.231 1.00 15.00 H new ATOM 0 HA ASN A 388 -1.381 4.636 11.024 1.00 15.00 H new ATOM 0 HB2 ASN A 388 -1.308 2.097 10.800 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -2.906 2.809 10.903 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -3.644 0.608 8.198 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -3.760 0.860 9.943 1.00 15.00 H new ATOM 382 N ARG A 389 0.274 4.367 8.291 1.00 15.00 N ATOM 383 CA ARG A 389 1.585 4.199 7.642 1.00 15.00 C ATOM 384 C ARG A 389 1.840 2.722 7.354 1.00 15.00 C ATOM 385 O ARG A 389 2.981 2.260 7.331 1.00 15.00 O ATOM 386 CB ARG A 389 2.722 4.791 8.483 1.00 15.00 C ATOM 387 CG ARG A 389 2.595 6.288 8.715 1.00 15.00 C ATOM 388 CD ARG A 389 3.837 6.854 9.382 1.00 15.00 C ATOM 389 NE ARG A 389 4.178 6.135 10.606 1.00 15.00 N ATOM 390 CZ ARG A 389 5.077 6.553 11.494 1.00 15.00 C ATOM 391 NH1 ARG A 389 5.711 7.708 11.318 1.00 15.00 N1+ ATOM 392 NH2 ARG A 389 5.337 5.810 12.559 1.00 15.00 N ATOM 0 H ARG A 389 -0.432 4.788 7.688 1.00 15.00 H new ATOM 0 HA ARG A 389 1.563 4.749 6.701 1.00 15.00 H new ATOM 0 HB2 ARG A 389 2.751 4.284 9.447 1.00 15.00 H new ATOM 0 HB3 ARG A 389 3.672 4.588 7.988 1.00 15.00 H new ATOM 0 HG2 ARG A 389 2.430 6.792 7.763 1.00 15.00 H new ATOM 0 HG3 ARG A 389 1.723 6.488 9.337 1.00 15.00 H new ATOM 0 HD2 ARG A 389 4.676 6.805 8.687 1.00 15.00 H new ATOM 0 HD3 ARG A 389 3.676 7.907 9.613 1.00 15.00 H new ATOM 0 HE ARG A 389 3.696 5.256 10.793 1.00 15.00 H new ATOM 0 HH11 ARG A 389 5.510 8.280 10.498 1.00 15.00 H new ATOM 0 HH12 ARG A 389 6.399 8.022 12.003 1.00 15.00 H new ATOM 0 HH21 ARG A 389 4.850 4.924 12.694 1.00 15.00 H new ATOM 0 HH22 ARG A 389 6.025 6.124 13.244 1.00 15.00 H new ATOM 406 N THR A 390 0.759 2.010 7.072 1.00 15.00 N ATOM 407 CA THR A 390 0.810 0.572 6.831 1.00 15.00 C ATOM 408 C THR A 390 0.578 0.266 5.352 1.00 15.00 C ATOM 409 O THR A 390 -0.231 0.919 4.698 1.00 15.00 O ATOM 410 CB THR A 390 -0.253 -0.163 7.682 1.00 15.00 C ATOM 411 OG1 THR A 390 0.094 -0.109 9.073 1.00 15.00 O ATOM 412 CG2 THR A 390 -0.428 -1.613 7.252 1.00 15.00 C ATOM 0 H THR A 390 -0.177 2.410 7.003 1.00 15.00 H new ATOM 0 HA THR A 390 1.801 0.220 7.118 1.00 15.00 H new ATOM 0 HB THR A 390 -1.202 0.350 7.522 1.00 15.00 H new ATOM 0 HG1 THR A 390 -0.588 -0.576 9.599 1.00 15.00 H new ATOM 0 HG21 THR A 390 -1.184 -2.089 7.877 1.00 15.00 H new ATOM 0 HG22 THR A 390 -0.745 -1.648 6.210 1.00 15.00 H new ATOM 0 HG23 THR A 390 0.519 -2.142 7.361 1.00 15.00 H new ATOM 420 N THR A 391 1.303 -0.715 4.829 1.00 15.00 N ATOM 421 CA THR A 391 1.105 -1.160 3.460 1.00 15.00 C ATOM 422 C THR A 391 0.875 -2.672 3.425 1.00 15.00 C ATOM 423 O THR A 391 1.459 -3.421 4.216 1.00 15.00 O ATOM 424 CB THR A 391 2.290 -0.757 2.552 1.00 15.00 C ATOM 425 OG1 THR A 391 2.130 -1.308 1.236 1.00 15.00 O ATOM 426 CG2 THR A 391 3.617 -1.199 3.140 1.00 15.00 C ATOM 0 H THR A 391 2.033 -1.216 5.335 1.00 15.00 H new ATOM 0 HA THR A 391 0.218 -0.663 3.068 1.00 15.00 H new ATOM 0 HB THR A 391 2.294 0.331 2.484 1.00 15.00 H new ATOM 0 HG1 THR A 391 2.997 -1.324 0.780 1.00 15.00 H new ATOM 0 HG21 THR A 391 4.427 -0.899 2.475 1.00 15.00 H new ATOM 0 HG22 THR A 391 3.756 -0.733 4.115 1.00 15.00 H new ATOM 0 HG23 THR A 391 3.622 -2.283 3.252 1.00 15.00 H new ATOM 434 N THR A 392 0.003 -3.108 2.525 1.00 15.00 N ATOM 435 CA THR A 392 -0.426 -4.498 2.470 1.00 15.00 C ATOM 436 C THR A 392 -0.753 -4.911 1.033 1.00 15.00 C ATOM 437 O THR A 392 -1.125 -4.073 0.211 1.00 15.00 O ATOM 438 CB THR A 392 -1.655 -4.726 3.381 1.00 15.00 C ATOM 439 OG1 THR A 392 -2.053 -6.103 3.362 1.00 15.00 O ATOM 440 CG2 THR A 392 -2.826 -3.849 2.960 1.00 15.00 C ATOM 0 H THR A 392 -0.424 -2.511 1.817 1.00 15.00 H new ATOM 0 HA THR A 392 0.396 -5.117 2.830 1.00 15.00 H new ATOM 0 HB THR A 392 -1.364 -4.452 4.395 1.00 15.00 H new ATOM 0 HG1 THR A 392 -3.000 -6.166 3.119 1.00 15.00 H new ATOM 0 HG21 THR A 392 -3.674 -4.033 3.620 1.00 15.00 H new ATOM 0 HG22 THR A 392 -2.537 -2.800 3.025 1.00 15.00 H new ATOM 0 HG23 THR A 392 -3.107 -4.085 1.934 1.00 15.00 H new ATOM 448 N TRP A 393 -0.562 -6.193 0.725 1.00 15.00 N ATOM 449 CA TRP A 393 -0.868 -6.718 -0.606 1.00 15.00 C ATOM 450 C TRP A 393 -2.351 -7.072 -0.729 1.00 15.00 C ATOM 451 O TRP A 393 -2.838 -7.378 -1.816 1.00 15.00 O ATOM 452 CB TRP A 393 -0.043 -7.977 -0.908 1.00 15.00 C ATOM 453 CG TRP A 393 1.446 -7.795 -0.826 1.00 15.00 C ATOM 454 CD1 TRP A 393 2.303 -8.465 0.001 1.00 15.00 C ATOM 455 CD2 TRP A 393 2.255 -6.895 -1.596 1.00 15.00 C ATOM 456 NE1 TRP A 393 3.588 -8.040 -0.212 1.00 15.00 N ATOM 457 CE2 TRP A 393 3.585 -7.075 -1.179 1.00 15.00 C ATOM 458 CE3 TRP A 393 1.990 -5.955 -2.594 1.00 15.00 C ATOM 459 CZ2 TRP A 393 4.645 -6.353 -1.721 1.00 15.00 C ATOM 460 CZ3 TRP A 393 3.045 -5.237 -3.134 1.00 15.00 C ATOM 461 CH2 TRP A 393 4.359 -5.439 -2.693 1.00 15.00 C ATOM 0 H TRP A 393 -0.197 -6.887 1.378 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.616 -5.935 -1.321 1.00 15.00 H new ATOM 0 HB2 TRP A 393 -0.337 -8.762 -0.211 1.00 15.00 H new ATOM 0 HB3 TRP A 393 -0.297 -8.328 -1.908 1.00 15.00 H new ATOM 0 HD1 TRP A 393 2.010 -9.219 0.717 1.00 15.00 H new ATOM 0 HE1 TRP A 393 4.415 -8.388 0.274 1.00 15.00 H new ATOM 0 HE3 TRP A 393 0.980 -5.790 -2.939 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 5.659 -6.511 -1.384 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 2.851 -4.509 -3.908 1.00 15.00 H new ATOM 0 HH2 TRP A 393 5.160 -4.861 -3.130 1.00 15.00 H new ATOM 472 N THR A 394 -3.052 -7.051 0.394 1.00 15.00 N ATOM 473 CA THR A 394 -4.439 -7.498 0.451 1.00 15.00 C ATOM 474 C THR A 394 -5.423 -6.331 0.478 1.00 15.00 C ATOM 475 O THR A 394 -5.098 -5.248 0.967 1.00 15.00 O ATOM 476 CB THR A 394 -4.684 -8.408 1.671 1.00 15.00 C ATOM 477 OG1 THR A 394 -4.052 -7.859 2.837 1.00 15.00 O ATOM 478 CG2 THR A 394 -4.157 -9.810 1.413 1.00 15.00 C ATOM 0 H THR A 394 -2.681 -6.726 1.287 1.00 15.00 H new ATOM 0 HA THR A 394 -4.614 -8.068 -0.462 1.00 15.00 H new ATOM 0 HB THR A 394 -5.759 -8.465 1.840 1.00 15.00 H new ATOM 0 HG1 THR A 394 -4.216 -8.445 3.605 1.00 15.00 H new ATOM 0 HG21 THR A 394 -4.341 -10.434 2.287 1.00 15.00 H new ATOM 0 HG22 THR A 394 -4.666 -10.237 0.549 1.00 15.00 H new ATOM 0 HG23 THR A 394 -3.086 -9.766 1.218 1.00 15.00 H new ATOM 486 N ARG A 395 -6.617 -6.557 -0.066 1.00 15.00 N ATOM 487 CA ARG A 395 -7.661 -5.538 -0.087 1.00 15.00 C ATOM 488 C ARG A 395 -8.192 -5.293 1.322 1.00 15.00 C ATOM 489 O ARG A 395 -8.694 -6.209 1.975 1.00 15.00 O ATOM 490 CB ARG A 395 -8.828 -5.963 -0.991 1.00 15.00 C ATOM 491 CG ARG A 395 -8.544 -5.890 -2.484 1.00 15.00 C ATOM 492 CD ARG A 395 -8.167 -4.482 -2.919 1.00 15.00 C ATOM 493 NE ARG A 395 -9.040 -3.468 -2.329 1.00 15.00 N ATOM 494 CZ ARG A 395 -8.982 -2.174 -2.633 1.00 15.00 C ATOM 495 NH1 ARG A 395 -8.324 -1.770 -3.711 1.00 15.00 N1+ ATOM 496 NH2 ARG A 395 -9.635 -1.285 -1.898 1.00 15.00 N ATOM 0 H ARG A 395 -6.885 -7.441 -0.499 1.00 15.00 H new ATOM 0 HA ARG A 395 -7.220 -4.622 -0.480 1.00 15.00 H new ATOM 0 HB2 ARG A 395 -9.109 -6.986 -0.739 1.00 15.00 H new ATOM 0 HB3 ARG A 395 -9.689 -5.332 -0.769 1.00 15.00 H new ATOM 0 HG2 ARG A 395 -7.735 -6.577 -2.734 1.00 15.00 H new ATOM 0 HG3 ARG A 395 -9.424 -6.218 -3.038 1.00 15.00 H new ATOM 0 HD2 ARG A 395 -7.134 -4.280 -2.634 1.00 15.00 H new ATOM 0 HD3 ARG A 395 -8.217 -4.414 -4.006 1.00 15.00 H new ATOM 0 HE ARG A 395 -9.734 -3.770 -1.645 1.00 15.00 H new ATOM 0 HH11 ARG A 395 -7.860 -2.452 -4.311 1.00 15.00 H new ATOM 0 HH12 ARG A 395 -8.282 -0.777 -3.941 1.00 15.00 H new ATOM 0 HH21 ARG A 395 -10.185 -1.592 -1.096 1.00 15.00 H new ATOM 0 HH22 ARG A 395 -9.588 -0.294 -2.135 1.00 15.00 H new ATOM 510 N PRO A 396 -8.078 -4.050 1.807 1.00 15.00 N ATOM 511 CA PRO A 396 -8.543 -3.676 3.143 1.00 15.00 C ATOM 512 C PRO A 396 -10.063 -3.566 3.224 1.00 15.00 C ATOM 513 O PRO A 396 -10.691 -2.872 2.424 1.00 15.00 O ATOM 514 CB PRO A 396 -7.898 -2.307 3.367 1.00 15.00 C ATOM 515 CG PRO A 396 -7.729 -1.739 2.000 1.00 15.00 C ATOM 516 CD PRO A 396 -7.479 -2.909 1.087 1.00 15.00 C ATOM 0 HA PRO A 396 -8.274 -4.422 3.891 1.00 15.00 H new ATOM 0 HB2 PRO A 396 -8.529 -1.669 3.986 1.00 15.00 H new ATOM 0 HB3 PRO A 396 -6.940 -2.400 3.878 1.00 15.00 H new ATOM 0 HG2 PRO A 396 -8.619 -1.190 1.694 1.00 15.00 H new ATOM 0 HG3 PRO A 396 -6.896 -1.037 1.970 1.00 15.00 H new ATOM 0 HD2 PRO A 396 -7.944 -2.762 0.112 1.00 15.00 H new ATOM 0 HD3 PRO A 396 -6.414 -3.060 0.913 1.00 15.00 H new ATOM 588 N GLU B 205 3.728 -11.673 -2.988 1.00 15.00 N ATOM 589 CA GLU B 205 4.909 -10.818 -3.007 1.00 15.00 C ATOM 590 C GLU B 205 5.578 -10.773 -1.639 1.00 15.00 C ATOM 591 O GLU B 205 4.936 -11.018 -0.612 1.00 15.00 O ATOM 592 CB GLU B 205 4.505 -9.402 -3.416 1.00 15.00 C ATOM 593 CG GLU B 205 4.248 -9.226 -4.902 1.00 15.00 C ATOM 594 CD GLU B 205 5.526 -9.106 -5.699 1.00 15.00 C ATOM 595 OE1 GLU B 205 6.103 -7.999 -5.733 1.00 15.00 O ATOM 596 OE2 GLU B 205 5.955 -10.112 -6.298 1.00 15.00 O1- ATOM 0 HA GLU B 205 5.618 -11.231 -3.725 1.00 15.00 H new ATOM 0 HB2 GLU B 205 3.605 -9.122 -2.869 1.00 15.00 H new ATOM 0 HB3 GLU B 205 5.291 -8.711 -3.112 1.00 15.00 H new ATOM 0 HG2 GLU B 205 3.672 -10.074 -5.271 1.00 15.00 H new ATOM 0 HG3 GLU B 205 3.640 -8.335 -5.059 1.00 15.00 H new ATOM 603 N SER B 206 6.863 -10.454 -1.631 1.00 15.00 N ATOM 604 CA SER B 206 7.588 -10.207 -0.396 1.00 15.00 C ATOM 605 C SER B 206 7.029 -8.955 0.278 1.00 15.00 C ATOM 606 O SER B 206 6.575 -8.044 -0.407 1.00 15.00 O ATOM 607 CB SER B 206 9.076 -10.037 -0.715 1.00 15.00 C ATOM 608 OG SER B 206 9.256 -9.254 -1.887 1.00 15.00 O ATOM 0 H SER B 206 7.429 -10.360 -2.474 1.00 15.00 H new ATOM 0 HA SER B 206 7.470 -11.048 0.287 1.00 15.00 H new ATOM 0 HB2 SER B 206 9.581 -9.562 0.126 1.00 15.00 H new ATOM 0 HB3 SER B 206 9.537 -11.015 -0.852 1.00 15.00 H new ATOM 0 HG SER B 206 10.214 -9.157 -2.071 1.00 15.00 H new ATOM 614 N PRO B 207 7.063 -8.888 1.621 1.00 15.00 N ATOM 615 CA PRO B 207 6.468 -7.778 2.383 1.00 15.00 C ATOM 616 C PRO B 207 6.875 -6.405 1.846 1.00 15.00 C ATOM 617 O PRO B 207 8.066 -6.142 1.659 1.00 15.00 O ATOM 618 CB PRO B 207 7.024 -7.990 3.787 1.00 15.00 C ATOM 619 CG PRO B 207 7.229 -9.459 3.873 1.00 15.00 C ATOM 620 CD PRO B 207 7.679 -9.888 2.507 1.00 15.00 C ATOM 0 HA PRO B 207 5.379 -7.783 2.328 1.00 15.00 H new ATOM 0 HB2 PRO B 207 7.958 -7.447 3.933 1.00 15.00 H new ATOM 0 HB3 PRO B 207 6.329 -7.638 4.549 1.00 15.00 H new ATOM 0 HG2 PRO B 207 7.976 -9.706 4.627 1.00 15.00 H new ATOM 0 HG3 PRO B 207 6.308 -9.967 4.159 1.00 15.00 H new ATOM 0 HD2 PRO B 207 8.766 -9.886 2.422 1.00 15.00 H new ATOM 0 HD3 PRO B 207 7.342 -10.897 2.271 1.00 15.00 H new ATOM 628 N PRO B 208 5.888 -5.518 1.596 1.00 15.00 N ATOM 629 CA PRO B 208 6.123 -4.216 0.954 1.00 15.00 C ATOM 630 C PRO B 208 7.227 -3.392 1.602 1.00 15.00 C ATOM 631 O PRO B 208 7.497 -3.510 2.802 1.00 15.00 O ATOM 632 CB PRO B 208 4.792 -3.494 1.121 1.00 15.00 C ATOM 633 CG PRO B 208 3.786 -4.572 1.193 1.00 15.00 C ATOM 634 CD PRO B 208 4.454 -5.705 1.918 1.00 15.00 C ATOM 0 HA PRO B 208 6.450 -4.354 -0.077 1.00 15.00 H new ATOM 0 HB2 PRO B 208 4.783 -2.884 2.024 1.00 15.00 H new ATOM 0 HB3 PRO B 208 4.596 -2.825 0.283 1.00 15.00 H new ATOM 0 HG2 PRO B 208 2.894 -4.240 1.724 1.00 15.00 H new ATOM 0 HG3 PRO B 208 3.469 -4.878 0.196 1.00 15.00 H new ATOM 0 HD2 PRO B 208 4.273 -5.657 2.992 1.00 15.00 H new ATOM 0 HD3 PRO B 208 4.088 -6.673 1.576 1.00 15.00 H new ATOM 642 N PRO B 209 7.842 -2.513 0.801 1.00 15.00 N ATOM 643 CA PRO B 209 8.892 -1.599 1.260 1.00 15.00 C ATOM 644 C PRO B 209 8.400 -0.710 2.402 1.00 15.00 C ATOM 645 O PRO B 209 7.272 -0.211 2.361 1.00 15.00 O ATOM 646 CB PRO B 209 9.195 -0.761 0.011 1.00 15.00 C ATOM 647 CG PRO B 209 8.741 -1.601 -1.131 1.00 15.00 C ATOM 648 CD PRO B 209 7.541 -2.332 -0.630 1.00 15.00 C ATOM 0 HA PRO B 209 9.764 -2.122 1.654 1.00 15.00 H new ATOM 0 HB2 PRO B 209 8.666 0.192 0.036 1.00 15.00 H new ATOM 0 HB3 PRO B 209 10.258 -0.533 -0.064 1.00 15.00 H new ATOM 0 HG2 PRO B 209 8.494 -0.987 -1.997 1.00 15.00 H new ATOM 0 HG3 PRO B 209 9.522 -2.294 -1.444 1.00 15.00 H new ATOM 0 HD2 PRO B 209 6.626 -1.759 -0.781 1.00 15.00 H new ATOM 0 HD3 PRO B 209 7.407 -3.287 -1.139 1.00 15.00 H new ATOM 656 N PRO B 210 9.244 -0.504 3.431 1.00 15.00 N ATOM 657 CA PRO B 210 8.883 0.265 4.630 1.00 15.00 C ATOM 658 C PRO B 210 8.278 1.628 4.302 1.00 15.00 C ATOM 659 O PRO B 210 8.897 2.457 3.632 1.00 15.00 O ATOM 660 CB PRO B 210 10.214 0.435 5.380 1.00 15.00 C ATOM 661 CG PRO B 210 11.275 -0.015 4.431 1.00 15.00 C ATOM 662 CD PRO B 210 10.623 -0.998 3.506 1.00 15.00 C ATOM 0 HA PRO B 210 8.117 -0.249 5.211 1.00 15.00 H new ATOM 0 HB2 PRO B 210 10.367 1.473 5.674 1.00 15.00 H new ATOM 0 HB3 PRO B 210 10.227 -0.160 6.293 1.00 15.00 H new ATOM 0 HG2 PRO B 210 11.684 0.829 3.876 1.00 15.00 H new ATOM 0 HG3 PRO B 210 12.105 -0.476 4.966 1.00 15.00 H new ATOM 0 HD2 PRO B 210 11.102 -1.012 2.527 1.00 15.00 H new ATOM 0 HD3 PRO B 210 10.668 -2.014 3.898 1.00 15.00 H new ATOM 670 N TYR B 211 7.063 1.852 4.780 1.00 15.00 N ATOM 671 CA TYR B 211 6.347 3.081 4.497 1.00 15.00 C ATOM 672 C TYR B 211 6.602 4.116 5.584 1.00 15.00 C ATOM 673 O TYR B 211 6.299 3.890 6.754 1.00 15.00 O ATOM 674 CB TYR B 211 4.848 2.797 4.380 1.00 15.00 C ATOM 675 CG TYR B 211 4.044 3.982 3.894 1.00 15.00 C ATOM 676 CD1 TYR B 211 3.899 4.225 2.538 1.00 15.00 C ATOM 677 CD2 TYR B 211 3.435 4.857 4.787 1.00 15.00 C ATOM 678 CE1 TYR B 211 3.175 5.306 2.083 1.00 15.00 C ATOM 679 CE2 TYR B 211 2.707 5.941 4.338 1.00 15.00 C ATOM 680 CZ TYR B 211 2.580 6.157 2.985 1.00 15.00 C ATOM 681 OH TYR B 211 1.866 7.235 2.528 1.00 15.00 O ATOM 0 H TYR B 211 6.553 1.193 5.368 1.00 15.00 H new ATOM 0 HA TYR B 211 6.709 3.483 3.550 1.00 15.00 H new ATOM 0 HB2 TYR B 211 4.697 1.961 3.697 1.00 15.00 H new ATOM 0 HB3 TYR B 211 4.469 2.485 5.353 1.00 15.00 H new ATOM 0 HD1 TYR B 211 4.361 3.557 1.826 1.00 15.00 H new ATOM 0 HD2 TYR B 211 3.533 4.686 5.849 1.00 15.00 H new ATOM 0 HE1 TYR B 211 3.075 5.484 1.022 1.00 15.00 H new ATOM 0 HE2 TYR B 211 2.241 6.614 5.043 1.00 15.00 H new ATOM 0 HH TYR B 211 2.410 8.046 2.611 1.00 15.00 H new ATOM 691 N SER B 212 7.166 5.249 5.197 1.00 15.00 N ATOM 692 CA SER B 212 7.389 6.343 6.126 1.00 15.00 C ATOM 693 C SER B 212 6.358 7.450 5.902 1.00 15.00 C ATOM 694 O SER B 212 5.409 7.593 6.671 1.00 15.00 O ATOM 695 CB SER B 212 8.809 6.890 5.968 1.00 15.00 C ATOM 696 OG SER B 212 9.771 5.862 6.154 1.00 15.00 O ATOM 0 H SER B 212 7.478 5.434 4.244 1.00 15.00 H new ATOM 0 HA SER B 212 7.274 5.968 7.143 1.00 15.00 H new ATOM 0 HB2 SER B 212 8.926 7.328 4.977 1.00 15.00 H new ATOM 0 HB3 SER B 212 8.978 7.688 6.691 1.00 15.00 H new ATOM 0 HG SER B 212 10.672 6.233 6.047 1.00 15.00 H new ATOM 702 N ARG B 213 6.539 8.212 4.830 1.00 15.00 N ATOM 703 CA ARG B 213 5.616 9.292 4.490 1.00 15.00 C ATOM 704 C ARG B 213 4.985 9.074 3.115 1.00 15.00 C ATOM 705 O ARG B 213 3.766 9.176 2.960 1.00 15.00 O ATOM 706 CB ARG B 213 6.334 10.645 4.531 1.00 15.00 C ATOM 707 CG ARG B 213 6.888 10.992 5.900 1.00 15.00 C ATOM 708 CD ARG B 213 5.780 11.088 6.934 1.00 15.00 C ATOM 709 NE ARG B 213 6.302 11.261 8.287 1.00 15.00 N ATOM 710 CZ ARG B 213 5.749 12.060 9.200 1.00 15.00 C ATOM 711 NH1 ARG B 213 4.735 12.850 8.866 1.00 15.00 N1+ ATOM 712 NH2 ARG B 213 6.229 12.084 10.439 1.00 15.00 N ATOM 0 H ARG B 213 7.317 8.103 4.179 1.00 15.00 H new ATOM 0 HA ARG B 213 4.818 9.291 5.233 1.00 15.00 H new ATOM 0 HB2 ARG B 213 7.150 10.637 3.808 1.00 15.00 H new ATOM 0 HB3 ARG B 213 5.640 11.426 4.219 1.00 15.00 H new ATOM 0 HG2 ARG B 213 7.609 10.234 6.206 1.00 15.00 H new ATOM 0 HG3 ARG B 213 7.424 11.940 5.849 1.00 15.00 H new ATOM 0 HD2 ARG B 213 5.127 11.926 6.688 1.00 15.00 H new ATOM 0 HD3 ARG B 213 5.169 10.186 6.895 1.00 15.00 H new ATOM 0 HE ARG B 213 7.139 10.740 8.549 1.00 15.00 H new ATOM 0 HH11 ARG B 213 4.379 12.846 7.910 1.00 15.00 H new ATOM 0 HH12 ARG B 213 4.313 13.461 9.565 1.00 15.00 H new ATOM 0 HH21 ARG B 213 7.020 11.491 10.691 1.00 15.00 H new ATOM 0 HH22 ARG B 213 5.806 12.695 11.138 1.00 15.00 H new ATOM 726 N TYR B 214 5.819 8.799 2.116 1.00 15.00 N ATOM 727 CA TYR B 214 5.345 8.542 0.762 1.00 15.00 C ATOM 728 C TYR B 214 5.749 7.136 0.326 1.00 15.00 C ATOM 729 O TYR B 214 6.795 6.633 0.735 1.00 15.00 O ATOM 730 CB TYR B 214 5.926 9.580 -0.206 1.00 15.00 C ATOM 731 CG TYR B 214 5.566 11.005 0.143 1.00 15.00 C ATOM 732 CD1 TYR B 214 4.305 11.512 -0.139 1.00 15.00 C ATOM 733 CD2 TYR B 214 6.485 11.841 0.761 1.00 15.00 C ATOM 734 CE1 TYR B 214 3.972 12.814 0.181 1.00 15.00 C ATOM 735 CE2 TYR B 214 6.158 13.143 1.088 1.00 15.00 C ATOM 736 CZ TYR B 214 4.900 13.624 0.794 1.00 15.00 C ATOM 737 OH TYR B 214 4.563 14.920 1.124 1.00 15.00 O ATOM 0 H TYR B 214 6.832 8.749 2.221 1.00 15.00 H new ATOM 0 HA TYR B 214 4.258 8.618 0.748 1.00 15.00 H new ATOM 0 HB2 TYR B 214 7.012 9.482 -0.221 1.00 15.00 H new ATOM 0 HB3 TYR B 214 5.572 9.362 -1.214 1.00 15.00 H new ATOM 0 HD1 TYR B 214 3.572 10.878 -0.616 1.00 15.00 H new ATOM 0 HD2 TYR B 214 7.472 11.468 0.990 1.00 15.00 H new ATOM 0 HE1 TYR B 214 2.988 13.194 -0.049 1.00 15.00 H new ATOM 0 HE2 TYR B 214 6.884 13.780 1.571 1.00 15.00 H new ATOM 0 HH TYR B 214 5.328 15.358 1.551 1.00 15.00 H new ATOM 747 N PRO B 215 4.928 6.487 -0.515 1.00 15.00 N ATOM 748 CA PRO B 215 5.211 5.132 -1.000 1.00 15.00 C ATOM 749 C PRO B 215 6.391 5.096 -1.970 1.00 15.00 C ATOM 750 O PRO B 215 6.424 5.824 -2.962 1.00 15.00 O ATOM 751 CB PRO B 215 3.916 4.726 -1.709 1.00 15.00 C ATOM 752 CG PRO B 215 3.262 6.009 -2.091 1.00 15.00 C ATOM 753 CD PRO B 215 3.654 7.014 -1.043 1.00 15.00 C ATOM 0 HA PRO B 215 5.493 4.461 -0.189 1.00 15.00 H new ATOM 0 HB2 PRO B 215 4.123 4.113 -2.586 1.00 15.00 H new ATOM 0 HB3 PRO B 215 3.275 4.137 -1.052 1.00 15.00 H new ATOM 0 HG2 PRO B 215 3.588 6.332 -3.080 1.00 15.00 H new ATOM 0 HG3 PRO B 215 2.179 5.895 -2.134 1.00 15.00 H new ATOM 0 HD2 PRO B 215 3.778 8.010 -1.469 1.00 15.00 H new ATOM 0 HD3 PRO B 215 2.898 7.093 -0.261 1.00 15.00 H new ATOM 761 N MET B 216 7.358 4.240 -1.670 1.00 15.00 N ATOM 762 CA MET B 216 8.556 4.113 -2.486 1.00 15.00 C ATOM 763 C MET B 216 8.861 2.640 -2.754 1.00 15.00 C ATOM 764 O MET B 216 9.107 1.870 -1.827 1.00 15.00 O ATOM 765 CB MET B 216 9.745 4.797 -1.793 1.00 15.00 C ATOM 766 CG MET B 216 9.967 4.343 -0.358 1.00 15.00 C ATOM 767 SD MET B 216 11.340 5.188 0.452 1.00 15.00 S ATOM 768 CE MET B 216 11.275 4.433 2.075 1.00 15.00 C ATOM 0 H MET B 216 7.335 3.619 -0.861 1.00 15.00 H new ATOM 0 HA MET B 216 8.384 4.607 -3.443 1.00 15.00 H new ATOM 0 HB2 MET B 216 10.650 4.603 -2.369 1.00 15.00 H new ATOM 0 HB3 MET B 216 9.587 5.875 -1.802 1.00 15.00 H new ATOM 0 HG2 MET B 216 9.056 4.513 0.215 1.00 15.00 H new ATOM 0 HG3 MET B 216 10.154 3.269 -0.348 1.00 15.00 H new ATOM 0 HE1 MET B 216 12.064 4.849 2.702 1.00 15.00 H new ATOM 0 HE2 MET B 216 10.306 4.634 2.531 1.00 15.00 H new ATOM 0 HE3 MET B 216 11.416 3.356 1.981 1.00 15.00 H new ATOM 778 N ASP B 217 8.823 2.246 -4.019 1.00 15.00 N ATOM 779 CA ASP B 217 9.067 0.859 -4.396 1.00 15.00 C ATOM 780 C ASP B 217 10.242 0.772 -5.354 1.00 15.00 C ATOM 781 O ASP B 217 10.079 1.134 -6.536 1.00 15.00 O ATOM 782 CB ASP B 217 7.818 0.251 -5.030 1.00 15.00 C ATOM 783 CG ASP B 217 8.044 -1.156 -5.551 1.00 15.00 C ATOM 784 OD1 ASP B 217 8.408 -2.041 -4.752 1.00 15.00 O ATOM 785 OD2 ASP B 217 7.836 -1.382 -6.762 1.00 15.00 O1- ATOM 786 OXT ASP B 217 11.341 0.376 -4.915 1.00 15.00 O ATOM 0 H ASP B 217 8.625 2.867 -4.803 1.00 15.00 H new ATOM 0 HA ASP B 217 9.309 0.293 -3.497 1.00 15.00 H new ATOM 0 HB2 ASP B 217 7.014 0.235 -4.294 1.00 15.00 H new ATOM 0 HB3 ASP B 217 7.487 0.888 -5.850 1.00 15.00 H new