USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=15 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 -132:sc= 1.3 USER MOD Set 1.2: A 394 THR OG1 : rot 180:sc= 1.02 USER MOD Set 2.1: A 385 ASN : amide:sc= -0.279! C(o=-0.53!,f=-13!) USER MOD Set 2.2: A 388 ASN : amide:sc= -0.459 K(o=-0.53,f=-8.5!) USER MOD Set 2.3: A 390 THR OG1 : rot 96:sc= 0.205 USER MOD Set 3.1: A 386 HIS : no HD1:sc= -0.221 K(o=0.78,f=0.17) USER MOD Set 3.2: B 211 TYR OH : rot -101:sc= 1 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000167) USER MOD Single : A 378 LYS NZ :NH3+ 169:sc= 2.01 (180deg=1.02!) USER MOD Single : A 381 THR OG1 : rot 51:sc= 0.0813 USER MOD Single : A 382 TYR OH : rot 180:sc= 0 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 391 THR OG1 : rot 48:sc= 0.152 USER MOD Single : B 206 SER OG : rot 180:sc= 0 USER MOD Single : B 212 SER OG : rot 180:sc= 0.1 USER MOD Single : B 214 TYR OH : rot 180:sc= 0.147 USER MOD Single : B 216 MET CE :methyl 166:sc= -0.336 (180deg=-0.762) USER MOD ----------------------------------------------------------------- ATOM 24 N LEU A 367 -13.176 1.629 -1.412 1.00 15.00 N ATOM 25 CA LEU A 367 -11.939 2.312 -1.060 1.00 15.00 C ATOM 26 C LEU A 367 -12.056 2.897 0.349 1.00 15.00 C ATOM 27 O LEU A 367 -12.993 3.642 0.634 1.00 15.00 O ATOM 28 CB LEU A 367 -11.657 3.415 -2.097 1.00 15.00 C ATOM 29 CG LEU A 367 -10.228 3.982 -2.118 1.00 15.00 C ATOM 30 CD1 LEU A 367 -9.959 4.671 -3.446 1.00 15.00 C ATOM 31 CD2 LEU A 367 -10.011 4.966 -0.979 1.00 15.00 C ATOM 0 HA LEU A 367 -11.107 1.607 -1.066 1.00 15.00 H new ATOM 0 HB2 LEU A 367 -11.882 3.019 -3.087 1.00 15.00 H new ATOM 0 HB3 LEU A 367 -12.349 4.238 -1.918 1.00 15.00 H new ATOM 0 HG LEU A 367 -9.535 3.150 -1.992 1.00 15.00 H new ATOM 0 HD11 LEU A 367 -8.944 5.069 -3.450 1.00 15.00 H new ATOM 0 HD12 LEU A 367 -10.070 3.952 -4.258 1.00 15.00 H new ATOM 0 HD13 LEU A 367 -10.669 5.486 -3.583 1.00 15.00 H new ATOM 0 HD21 LEU A 367 -8.992 5.350 -1.019 1.00 15.00 H new ATOM 0 HD22 LEU A 367 -10.715 5.793 -1.074 1.00 15.00 H new ATOM 0 HD23 LEU A 367 -10.171 4.461 -0.026 1.00 15.00 H new ATOM 43 N PRO A 368 -11.113 2.571 1.248 1.00 15.00 N ATOM 44 CA PRO A 368 -11.106 3.108 2.603 1.00 15.00 C ATOM 45 C PRO A 368 -10.315 4.414 2.696 1.00 15.00 C ATOM 46 O PRO A 368 -9.227 4.545 2.127 1.00 15.00 O ATOM 47 CB PRO A 368 -10.415 2.001 3.398 1.00 15.00 C ATOM 48 CG PRO A 368 -9.495 1.327 2.430 1.00 15.00 C ATOM 49 CD PRO A 368 -10.002 1.624 1.036 1.00 15.00 C ATOM 0 HA PRO A 368 -12.104 3.355 2.964 1.00 15.00 H new ATOM 0 HB2 PRO A 368 -9.863 2.411 4.243 1.00 15.00 H new ATOM 0 HB3 PRO A 368 -11.142 1.297 3.804 1.00 15.00 H new ATOM 0 HG2 PRO A 368 -8.475 1.692 2.553 1.00 15.00 H new ATOM 0 HG3 PRO A 368 -9.472 0.252 2.608 1.00 15.00 H new ATOM 0 HD2 PRO A 368 -9.221 2.060 0.413 1.00 15.00 H new ATOM 0 HD3 PRO A 368 -10.342 0.718 0.534 1.00 15.00 H new ATOM 57 N SER A 369 -10.856 5.363 3.441 1.00 15.00 N ATOM 58 CA SER A 369 -10.300 6.703 3.506 1.00 15.00 C ATOM 59 C SER A 369 -8.967 6.700 4.247 1.00 15.00 C ATOM 60 O SER A 369 -8.861 6.189 5.362 1.00 15.00 O ATOM 61 CB SER A 369 -11.298 7.633 4.197 1.00 15.00 C ATOM 62 OG SER A 369 -12.580 7.542 3.589 1.00 15.00 O ATOM 0 H SER A 369 -11.688 5.227 4.015 1.00 15.00 H new ATOM 0 HA SER A 369 -10.117 7.062 2.493 1.00 15.00 H new ATOM 0 HB2 SER A 369 -11.372 7.373 5.253 1.00 15.00 H new ATOM 0 HB3 SER A 369 -10.939 8.661 4.146 1.00 15.00 H new ATOM 0 HG SER A 369 -13.203 8.144 4.048 1.00 15.00 H new ATOM 68 N GLY A 370 -7.952 7.271 3.615 1.00 15.00 N ATOM 69 CA GLY A 370 -6.630 7.288 4.206 1.00 15.00 C ATOM 70 C GLY A 370 -5.711 6.273 3.559 1.00 15.00 C ATOM 71 O GLY A 370 -4.504 6.264 3.808 1.00 15.00 O ATOM 0 H GLY A 370 -8.020 7.723 2.703 1.00 15.00 H new ATOM 0 HA2 GLY A 370 -6.200 8.284 4.105 1.00 15.00 H new ATOM 0 HA3 GLY A 370 -6.706 7.081 5.273 1.00 15.00 H new ATOM 75 N TRP A 371 -6.287 5.411 2.736 1.00 15.00 N ATOM 76 CA TRP A 371 -5.519 4.412 2.008 1.00 15.00 C ATOM 77 C TRP A 371 -5.273 4.861 0.577 1.00 15.00 C ATOM 78 O TRP A 371 -6.213 5.063 -0.189 1.00 15.00 O ATOM 79 CB TRP A 371 -6.252 3.072 1.988 1.00 15.00 C ATOM 80 CG TRP A 371 -6.191 2.299 3.273 1.00 15.00 C ATOM 81 CD1 TRP A 371 -6.913 2.521 4.415 1.00 15.00 C ATOM 82 CD2 TRP A 371 -5.367 1.155 3.536 1.00 15.00 C ATOM 83 NE1 TRP A 371 -6.601 1.571 5.356 1.00 15.00 N ATOM 84 CE2 TRP A 371 -5.651 0.726 4.845 1.00 15.00 C ATOM 85 CE3 TRP A 371 -4.418 0.450 2.790 1.00 15.00 C ATOM 86 CZ2 TRP A 371 -5.021 -0.376 5.422 1.00 15.00 C ATOM 87 CZ3 TRP A 371 -3.791 -0.640 3.364 1.00 15.00 C ATOM 88 CH2 TRP A 371 -4.095 -1.046 4.668 1.00 15.00 C ATOM 0 H TRP A 371 -7.290 5.383 2.554 1.00 15.00 H new ATOM 0 HA TRP A 371 -4.564 4.294 2.521 1.00 15.00 H new ATOM 0 HB2 TRP A 371 -7.298 3.250 1.737 1.00 15.00 H new ATOM 0 HB3 TRP A 371 -5.834 2.457 1.191 1.00 15.00 H new ATOM 0 HD1 TRP A 371 -7.622 3.324 4.555 1.00 15.00 H new ATOM 0 HE1 TRP A 371 -7.011 1.505 6.288 1.00 15.00 H new ATOM 0 HE3 TRP A 371 -4.179 0.752 1.781 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 -5.255 -0.690 6.428 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 -3.054 -1.188 2.796 1.00 15.00 H new ATOM 0 HH2 TRP A 371 -3.590 -1.904 5.088 1.00 15.00 H new ATOM 99 N GLU A 372 -4.012 5.021 0.221 1.00 15.00 N ATOM 100 CA GLU A 372 -3.650 5.325 -1.150 1.00 15.00 C ATOM 101 C GLU A 372 -3.206 4.047 -1.850 1.00 15.00 C ATOM 102 O GLU A 372 -2.172 3.462 -1.522 1.00 15.00 O ATOM 103 CB GLU A 372 -2.566 6.406 -1.205 1.00 15.00 C ATOM 104 CG GLU A 372 -3.108 7.819 -1.070 1.00 15.00 C ATOM 105 CD GLU A 372 -4.010 8.202 -2.224 1.00 15.00 C ATOM 106 OE1 GLU A 372 -3.487 8.581 -3.292 1.00 15.00 O ATOM 107 OE2 GLU A 372 -5.241 8.120 -2.075 1.00 15.00 O1- ATOM 0 H GLU A 372 -3.222 4.946 0.862 1.00 15.00 H new ATOM 0 HA GLU A 372 -4.520 5.723 -1.672 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.844 6.225 -0.409 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -2.028 6.321 -2.149 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -3.662 7.905 -0.135 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.276 8.521 -1.014 1.00 15.00 H new ATOM 114 N GLU A 373 -4.019 3.602 -2.790 1.00 15.00 N ATOM 115 CA GLU A 373 -3.819 2.316 -3.443 1.00 15.00 C ATOM 116 C GLU A 373 -3.127 2.527 -4.766 1.00 15.00 C ATOM 117 O GLU A 373 -3.711 3.066 -5.707 1.00 15.00 O ATOM 118 CB GLU A 373 -5.163 1.656 -3.666 1.00 15.00 C ATOM 119 CG GLU A 373 -6.150 2.064 -2.606 1.00 15.00 C ATOM 120 CD GLU A 373 -7.565 1.641 -2.923 1.00 15.00 C ATOM 121 OE1 GLU A 373 -7.827 1.249 -4.080 1.00 15.00 O1- ATOM 122 OE2 GLU A 373 -8.415 1.669 -2.019 1.00 15.00 O ATOM 0 H GLU A 373 -4.834 4.117 -3.123 1.00 15.00 H new ATOM 0 HA GLU A 373 -3.201 1.675 -2.814 1.00 15.00 H new ATOM 0 HB2 GLU A 373 -5.547 1.929 -4.649 1.00 15.00 H new ATOM 0 HB3 GLU A 373 -5.045 0.572 -3.660 1.00 15.00 H new ATOM 0 HG2 GLU A 373 -5.851 1.629 -1.652 1.00 15.00 H new ATOM 0 HG3 GLU A 373 -6.119 3.147 -2.486 1.00 15.00 H new ATOM 129 N ARG A 374 -1.882 2.124 -4.842 1.00 15.00 N ATOM 130 CA ARG A 374 -1.068 2.491 -5.971 1.00 15.00 C ATOM 131 C ARG A 374 -0.309 1.296 -6.521 1.00 15.00 C ATOM 132 O ARG A 374 0.360 0.558 -5.792 1.00 15.00 O ATOM 133 CB ARG A 374 -0.150 3.634 -5.556 1.00 15.00 C ATOM 134 CG ARG A 374 -0.942 4.868 -5.135 1.00 15.00 C ATOM 135 CD ARG A 374 -0.051 5.941 -4.548 1.00 15.00 C ATOM 136 NE ARG A 374 -0.805 7.150 -4.222 1.00 15.00 N ATOM 137 CZ ARG A 374 -0.288 8.375 -4.211 1.00 15.00 C ATOM 138 NH1 ARG A 374 0.979 8.576 -4.559 1.00 15.00 N1+ ATOM 139 NH2 ARG A 374 -1.049 9.406 -3.877 1.00 15.00 N ATOM 0 H ARG A 374 -1.415 1.547 -4.142 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.701 2.835 -6.789 1.00 15.00 H new ATOM 0 HB2 ARG A 374 0.485 3.310 -4.731 1.00 15.00 H new ATOM 0 HB3 ARG A 374 0.510 3.890 -6.385 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -1.473 5.270 -5.998 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -1.696 4.582 -4.402 1.00 15.00 H new ATOM 0 HD2 ARG A 374 0.433 5.560 -3.649 1.00 15.00 H new ATOM 0 HD3 ARG A 374 0.740 6.185 -5.257 1.00 15.00 H new ATOM 0 HE ARG A 374 -1.792 7.047 -3.988 1.00 15.00 H new ATOM 0 HH11 ARG A 374 1.563 7.787 -4.837 1.00 15.00 H new ATOM 0 HH12 ARG A 374 1.368 9.519 -4.548 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -2.027 9.259 -3.630 1.00 15.00 H new ATOM 0 HH22 ARG A 374 -0.657 10.347 -3.867 1.00 15.00 H new ATOM 153 N LYS A 375 -0.449 1.114 -7.822 1.00 15.00 N ATOM 154 CA LYS A 375 0.123 -0.021 -8.514 1.00 15.00 C ATOM 155 C LYS A 375 1.311 0.439 -9.345 1.00 15.00 C ATOM 156 O LYS A 375 1.200 1.368 -10.144 1.00 15.00 O ATOM 157 CB LYS A 375 -0.931 -0.690 -9.416 1.00 15.00 C ATOM 158 CG LYS A 375 -2.206 -1.134 -8.696 1.00 15.00 C ATOM 159 CD LYS A 375 -3.121 0.038 -8.352 1.00 15.00 C ATOM 160 CE LYS A 375 -4.365 -0.413 -7.599 1.00 15.00 C ATOM 161 NZ LYS A 375 -5.320 -1.151 -8.471 1.00 15.00 N1+ ATOM 0 H LYS A 375 -0.965 1.753 -8.428 1.00 15.00 H new ATOM 0 HA LYS A 375 0.458 -0.754 -7.780 1.00 15.00 H new ATOM 0 HB2 LYS A 375 -1.203 0.006 -10.210 1.00 15.00 H new ATOM 0 HB3 LYS A 375 -0.480 -1.559 -9.894 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -2.747 -1.841 -9.325 1.00 15.00 H new ATOM 0 HG3 LYS A 375 -1.938 -1.662 -7.781 1.00 15.00 H new ATOM 0 HD2 LYS A 375 -2.573 0.761 -7.747 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -3.417 0.548 -9.269 1.00 15.00 H new ATOM 0 HE2 LYS A 375 -4.071 -1.051 -6.766 1.00 15.00 H new ATOM 0 HE3 LYS A 375 -4.864 0.457 -7.173 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 -6.158 -1.422 -7.917 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 -5.610 -0.541 -9.262 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 -4.860 -2.006 -8.844 1.00 15.00 H new ATOM 175 N ASP A 376 2.435 -0.220 -9.155 1.00 15.00 N ATOM 176 CA ASP A 376 3.664 0.137 -9.854 1.00 15.00 C ATOM 177 C ASP A 376 3.756 -0.634 -11.167 1.00 15.00 C ATOM 178 O ASP A 376 3.244 -1.748 -11.270 1.00 15.00 O ATOM 179 CB ASP A 376 4.881 -0.157 -8.980 1.00 15.00 C ATOM 180 CG ASP A 376 6.086 0.685 -9.358 1.00 15.00 C ATOM 181 OD1 ASP A 376 6.406 0.783 -10.557 1.00 15.00 O1- ATOM 182 OD2 ASP A 376 6.729 1.241 -8.450 1.00 15.00 O ATOM 0 H ASP A 376 2.529 -1.012 -8.519 1.00 15.00 H new ATOM 0 HA ASP A 376 3.647 1.205 -10.070 1.00 15.00 H new ATOM 0 HB2 ASP A 376 4.627 0.026 -7.936 1.00 15.00 H new ATOM 0 HB3 ASP A 376 5.139 -1.213 -9.065 1.00 15.00 H new ATOM 187 N ALA A 377 4.415 -0.041 -12.158 1.00 15.00 N ATOM 188 CA ALA A 377 4.428 -0.558 -13.531 1.00 15.00 C ATOM 189 C ALA A 377 5.001 -1.976 -13.638 1.00 15.00 C ATOM 190 O ALA A 377 4.684 -2.700 -14.579 1.00 15.00 O ATOM 191 CB ALA A 377 5.208 0.386 -14.430 1.00 15.00 C ATOM 0 H ALA A 377 4.958 0.814 -12.036 1.00 15.00 H new ATOM 0 HA ALA A 377 3.389 -0.616 -13.855 1.00 15.00 H new ATOM 0 HB1 ALA A 377 5.214 -0.003 -15.448 1.00 15.00 H new ATOM 0 HB2 ALA A 377 4.738 1.369 -14.420 1.00 15.00 H new ATOM 0 HB3 ALA A 377 6.233 0.470 -14.068 1.00 15.00 H new ATOM 197 N LYS A 378 5.841 -2.377 -12.684 1.00 15.00 N ATOM 198 CA LYS A 378 6.366 -3.751 -12.656 1.00 15.00 C ATOM 199 C LYS A 378 5.246 -4.726 -12.318 1.00 15.00 C ATOM 200 O LYS A 378 5.383 -5.940 -12.458 1.00 15.00 O ATOM 201 CB LYS A 378 7.491 -3.940 -11.631 1.00 15.00 C ATOM 202 CG LYS A 378 8.508 -2.818 -11.567 1.00 15.00 C ATOM 203 CD LYS A 378 8.097 -1.786 -10.536 1.00 15.00 C ATOM 204 CE LYS A 378 9.306 -1.069 -9.951 1.00 15.00 C ATOM 205 NZ LYS A 378 8.964 -0.306 -8.722 1.00 15.00 N1+ ATOM 0 H LYS A 378 6.173 -1.781 -11.926 1.00 15.00 H new ATOM 0 HA LYS A 378 6.774 -3.945 -13.648 1.00 15.00 H new ATOM 0 HB2 LYS A 378 7.044 -4.059 -10.644 1.00 15.00 H new ATOM 0 HB3 LYS A 378 8.014 -4.869 -11.858 1.00 15.00 H new ATOM 0 HG2 LYS A 378 9.488 -3.222 -11.315 1.00 15.00 H new ATOM 0 HG3 LYS A 378 8.600 -2.346 -12.545 1.00 15.00 H new ATOM 0 HD2 LYS A 378 7.428 -1.058 -10.995 1.00 15.00 H new ATOM 0 HD3 LYS A 378 7.539 -2.272 -9.736 1.00 15.00 H new ATOM 0 HE2 LYS A 378 10.082 -1.798 -9.720 1.00 15.00 H new ATOM 0 HE3 LYS A 378 9.719 -0.389 -10.696 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 9.838 0.010 -8.255 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 8.388 0.522 -8.976 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 8.426 -0.916 -8.073 1.00 15.00 H new ATOM 219 N GLY A 379 4.154 -4.171 -11.833 1.00 15.00 N ATOM 220 CA GLY A 379 3.088 -4.963 -11.281 1.00 15.00 C ATOM 221 C GLY A 379 3.280 -5.173 -9.803 1.00 15.00 C ATOM 222 O GLY A 379 3.311 -6.299 -9.311 1.00 15.00 O ATOM 0 H GLY A 379 3.986 -3.165 -11.813 1.00 15.00 H new ATOM 0 HA2 GLY A 379 2.133 -4.469 -11.460 1.00 15.00 H new ATOM 0 HA3 GLY A 379 3.048 -5.928 -11.787 1.00 15.00 H new ATOM 226 N ARG A 380 3.429 -4.063 -9.100 1.00 15.00 N ATOM 227 CA ARG A 380 3.547 -4.071 -7.654 1.00 15.00 C ATOM 228 C ARG A 380 2.303 -3.430 -7.058 1.00 15.00 C ATOM 229 O ARG A 380 2.126 -2.215 -7.137 1.00 15.00 O ATOM 230 CB ARG A 380 4.798 -3.306 -7.209 1.00 15.00 C ATOM 231 CG ARG A 380 6.061 -3.721 -7.943 1.00 15.00 C ATOM 232 CD ARG A 380 6.491 -5.130 -7.579 1.00 15.00 C ATOM 233 NE ARG A 380 7.128 -5.193 -6.265 1.00 15.00 N ATOM 234 CZ ARG A 380 7.379 -6.333 -5.619 1.00 15.00 C ATOM 235 NH1 ARG A 380 6.920 -7.481 -6.104 1.00 15.00 N1+ ATOM 236 NH2 ARG A 380 8.070 -6.323 -4.487 1.00 15.00 N ATOM 0 H ARG A 380 3.471 -3.133 -9.516 1.00 15.00 H new ATOM 0 HA ARG A 380 3.639 -5.099 -7.305 1.00 15.00 H new ATOM 0 HB2 ARG A 380 4.634 -2.239 -7.361 1.00 15.00 H new ATOM 0 HB3 ARG A 380 4.944 -3.457 -6.139 1.00 15.00 H new ATOM 0 HG2 ARG A 380 5.893 -3.659 -9.018 1.00 15.00 H new ATOM 0 HG3 ARG A 380 6.864 -3.024 -7.706 1.00 15.00 H new ATOM 0 HD2 ARG A 380 5.622 -5.787 -7.591 1.00 15.00 H new ATOM 0 HD3 ARG A 380 7.183 -5.503 -8.334 1.00 15.00 H new ATOM 0 HE ARG A 380 7.396 -4.317 -5.817 1.00 15.00 H new ATOM 0 HH11 ARG A 380 6.378 -7.489 -6.968 1.00 15.00 H new ATOM 0 HH12 ARG A 380 7.110 -8.354 -5.613 1.00 15.00 H new ATOM 0 HH21 ARG A 380 8.412 -5.441 -4.106 1.00 15.00 H new ATOM 0 HH22 ARG A 380 8.259 -7.197 -3.997 1.00 15.00 H new ATOM 250 N THR A 381 1.421 -4.249 -6.520 1.00 15.00 N ATOM 251 CA THR A 381 0.172 -3.761 -5.967 1.00 15.00 C ATOM 252 C THR A 381 0.282 -3.550 -4.461 1.00 15.00 C ATOM 253 O THR A 381 0.022 -4.465 -3.680 1.00 15.00 O ATOM 254 CB THR A 381 -0.975 -4.741 -6.272 1.00 15.00 C ATOM 255 OG1 THR A 381 -0.531 -6.088 -6.056 1.00 15.00 O ATOM 256 CG2 THR A 381 -1.459 -4.584 -7.705 1.00 15.00 C ATOM 0 H THR A 381 1.546 -5.259 -6.454 1.00 15.00 H new ATOM 0 HA THR A 381 -0.044 -2.801 -6.436 1.00 15.00 H new ATOM 0 HB THR A 381 -1.805 -4.517 -5.603 1.00 15.00 H new ATOM 0 HG1 THR A 381 -0.125 -6.160 -5.167 1.00 15.00 H new ATOM 0 HG21 THR A 381 -2.269 -5.288 -7.894 1.00 15.00 H new ATOM 0 HG22 THR A 381 -1.819 -3.567 -7.858 1.00 15.00 H new ATOM 0 HG23 THR A 381 -0.636 -4.785 -8.391 1.00 15.00 H new ATOM 264 N TYR A 382 0.682 -2.353 -4.051 1.00 15.00 N ATOM 265 CA TYR A 382 0.822 -2.059 -2.636 1.00 15.00 C ATOM 266 C TYR A 382 -0.157 -0.977 -2.200 1.00 15.00 C ATOM 267 O TYR A 382 -0.180 0.130 -2.743 1.00 15.00 O ATOM 268 CB TYR A 382 2.268 -1.675 -2.284 1.00 15.00 C ATOM 269 CG TYR A 382 2.925 -0.680 -3.222 1.00 15.00 C ATOM 270 CD1 TYR A 382 2.724 0.690 -3.080 1.00 15.00 C ATOM 271 CD2 TYR A 382 3.762 -1.116 -4.239 1.00 15.00 C ATOM 272 CE1 TYR A 382 3.337 1.591 -3.929 1.00 15.00 C ATOM 273 CE2 TYR A 382 4.378 -0.221 -5.087 1.00 15.00 C ATOM 274 CZ TYR A 382 4.165 1.130 -4.931 1.00 15.00 C ATOM 275 OH TYR A 382 4.778 2.023 -5.779 1.00 15.00 O ATOM 0 H TYR A 382 0.913 -1.579 -4.674 1.00 15.00 H new ATOM 0 HA TYR A 382 0.580 -2.968 -2.085 1.00 15.00 H new ATOM 0 HB2 TYR A 382 2.281 -1.261 -1.276 1.00 15.00 H new ATOM 0 HB3 TYR A 382 2.872 -2.582 -2.263 1.00 15.00 H new ATOM 0 HD1 TYR A 382 2.079 1.054 -2.294 1.00 15.00 H new ATOM 0 HD2 TYR A 382 3.934 -2.174 -4.368 1.00 15.00 H new ATOM 0 HE1 TYR A 382 3.169 2.651 -3.809 1.00 15.00 H new ATOM 0 HE2 TYR A 382 5.027 -0.579 -5.873 1.00 15.00 H new ATOM 0 HH TYR A 382 5.328 1.534 -6.427 1.00 15.00 H new ATOM 285 N TYR A 383 -0.986 -1.322 -1.233 1.00 15.00 N ATOM 286 CA TYR A 383 -1.904 -0.371 -0.639 1.00 15.00 C ATOM 287 C TYR A 383 -1.213 0.296 0.537 1.00 15.00 C ATOM 288 O TYR A 383 -0.909 -0.366 1.531 1.00 15.00 O ATOM 289 CB TYR A 383 -3.177 -1.075 -0.156 1.00 15.00 C ATOM 290 CG TYR A 383 -3.867 -1.926 -1.203 1.00 15.00 C ATOM 291 CD1 TYR A 383 -3.350 -3.163 -1.572 1.00 15.00 C ATOM 292 CD2 TYR A 383 -5.039 -1.500 -1.815 1.00 15.00 C ATOM 293 CE1 TYR A 383 -3.975 -3.946 -2.517 1.00 15.00 C ATOM 294 CE2 TYR A 383 -5.674 -2.281 -2.762 1.00 15.00 C ATOM 295 CZ TYR A 383 -5.136 -3.505 -3.109 1.00 15.00 C ATOM 296 OH TYR A 383 -5.760 -4.294 -4.049 1.00 15.00 O ATOM 0 H TYR A 383 -1.042 -2.262 -0.840 1.00 15.00 H new ATOM 0 HA TYR A 383 -2.187 0.371 -1.385 1.00 15.00 H new ATOM 0 HB2 TYR A 383 -2.926 -1.706 0.697 1.00 15.00 H new ATOM 0 HB3 TYR A 383 -3.879 -0.322 0.201 1.00 15.00 H new ATOM 0 HD1 TYR A 383 -2.441 -3.517 -1.109 1.00 15.00 H new ATOM 0 HD2 TYR A 383 -5.461 -0.543 -1.546 1.00 15.00 H new ATOM 0 HE1 TYR A 383 -3.555 -4.902 -2.792 1.00 15.00 H new ATOM 0 HE2 TYR A 383 -6.585 -1.936 -3.228 1.00 15.00 H new ATOM 0 HH TYR A 383 -6.568 -3.842 -4.371 1.00 15.00 H new ATOM 306 N VAL A 384 -0.920 1.581 0.421 1.00 15.00 N ATOM 307 CA VAL A 384 -0.210 2.274 1.482 1.00 15.00 C ATOM 308 C VAL A 384 -1.153 3.158 2.294 1.00 15.00 C ATOM 309 O VAL A 384 -1.747 4.116 1.792 1.00 15.00 O ATOM 310 CB VAL A 384 1.000 3.081 0.952 1.00 15.00 C ATOM 311 CG1 VAL A 384 2.088 2.143 0.458 1.00 15.00 C ATOM 312 CG2 VAL A 384 0.603 4.037 -0.154 1.00 15.00 C ATOM 0 H VAL A 384 -1.159 2.158 -0.385 1.00 15.00 H new ATOM 0 HA VAL A 384 0.189 1.508 2.147 1.00 15.00 H new ATOM 0 HB VAL A 384 1.382 3.673 1.784 1.00 15.00 H new ATOM 0 HG11 VAL A 384 2.931 2.726 0.089 1.00 15.00 H new ATOM 0 HG12 VAL A 384 2.419 1.506 1.278 1.00 15.00 H new ATOM 0 HG13 VAL A 384 1.695 1.523 -0.348 1.00 15.00 H new ATOM 0 HG21 VAL A 384 1.482 4.583 -0.496 1.00 15.00 H new ATOM 0 HG22 VAL A 384 0.178 3.475 -0.986 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -0.138 4.742 0.223 1.00 15.00 H new ATOM 322 N ASN A 385 -1.298 2.799 3.556 1.00 15.00 N ATOM 323 CA ASN A 385 -2.210 3.472 4.466 1.00 15.00 C ATOM 324 C ASN A 385 -1.522 4.626 5.185 1.00 15.00 C ATOM 325 O ASN A 385 -0.438 4.460 5.742 1.00 15.00 O ATOM 326 CB ASN A 385 -2.734 2.460 5.484 1.00 15.00 C ATOM 327 CG ASN A 385 -3.426 3.110 6.660 1.00 15.00 C ATOM 328 OD1 ASN A 385 -2.784 3.477 7.627 1.00 15.00 O ATOM 329 ND2 ASN A 385 -4.735 3.248 6.592 1.00 15.00 N ATOM 0 H ASN A 385 -0.784 2.028 3.982 1.00 15.00 H new ATOM 0 HA ASN A 385 -3.038 3.886 3.890 1.00 15.00 H new ATOM 0 HB2 ASN A 385 -3.430 1.782 4.989 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -1.903 1.855 5.847 1.00 15.00 H new ATOM 0 HD21 ASN A 385 -5.244 3.674 7.366 1.00 15.00 H new ATOM 0 HD22 ASN A 385 -5.239 2.928 5.765 1.00 15.00 H new ATOM 336 N HIS A 386 -2.171 5.788 5.182 1.00 15.00 N ATOM 337 CA HIS A 386 -1.654 6.964 5.875 1.00 15.00 C ATOM 338 C HIS A 386 -2.194 7.047 7.303 1.00 15.00 C ATOM 339 O HIS A 386 -1.675 7.805 8.122 1.00 15.00 O ATOM 340 CB HIS A 386 -2.024 8.251 5.124 1.00 15.00 C ATOM 341 CG HIS A 386 -1.248 8.488 3.863 1.00 15.00 C ATOM 342 ND1 HIS A 386 -0.293 9.472 3.752 1.00 15.00 N ATOM 343 CD2 HIS A 386 -1.316 7.894 2.647 1.00 15.00 C ATOM 344 CE1 HIS A 386 0.192 9.478 2.529 1.00 15.00 C ATOM 345 NE2 HIS A 386 -0.409 8.530 1.832 1.00 15.00 N ATOM 0 H HIS A 386 -3.060 5.940 4.705 1.00 15.00 H new ATOM 0 HA HIS A 386 -0.569 6.865 5.909 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -3.086 8.220 4.880 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -1.875 9.100 5.791 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -1.962 7.074 2.370 1.00 15.00 H new ATOM 0 HE1 HIS A 386 0.954 10.146 2.157 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.230 8.307 0.853 1.00 15.00 H new ATOM 354 N ASN A 387 -3.241 6.277 7.592 1.00 15.00 N ATOM 355 CA ASN A 387 -3.901 6.335 8.898 1.00 15.00 C ATOM 356 C ASN A 387 -2.958 5.876 10.013 1.00 15.00 C ATOM 357 O ASN A 387 -2.660 6.626 10.942 1.00 15.00 O ATOM 358 CB ASN A 387 -5.165 5.471 8.912 1.00 15.00 C ATOM 359 CG ASN A 387 -5.915 5.567 10.229 1.00 15.00 C ATOM 360 OD1 ASN A 387 -5.962 6.625 10.856 1.00 15.00 O ATOM 361 ND2 ASN A 387 -6.486 4.460 10.670 1.00 15.00 N ATOM 0 H ASN A 387 -3.651 5.606 6.942 1.00 15.00 H new ATOM 0 HA ASN A 387 -4.178 7.374 9.075 1.00 15.00 H new ATOM 0 HB2 ASN A 387 -5.822 5.780 8.099 1.00 15.00 H new ATOM 0 HB3 ASN A 387 -4.894 4.432 8.726 1.00 15.00 H new ATOM 0 HD21 ASN A 387 -6.987 4.464 11.558 1.00 15.00 H new ATOM 0 HD22 ASN A 387 -6.426 3.602 10.122 1.00 15.00 H new ATOM 368 N ASN A 388 -2.501 4.637 9.908 1.00 15.00 N ATOM 369 CA ASN A 388 -1.566 4.056 10.864 1.00 15.00 C ATOM 370 C ASN A 388 -0.171 3.932 10.254 1.00 15.00 C ATOM 371 O ASN A 388 0.804 3.683 10.967 1.00 15.00 O ATOM 372 CB ASN A 388 -2.069 2.696 11.376 1.00 15.00 C ATOM 373 CG ASN A 388 -2.271 1.654 10.283 1.00 15.00 C ATOM 374 OD1 ASN A 388 -1.546 1.609 9.293 1.00 15.00 O ATOM 375 ND2 ASN A 388 -3.281 0.819 10.450 1.00 15.00 N ATOM 0 H ASN A 388 -2.768 4.003 9.155 1.00 15.00 H new ATOM 0 HA ASN A 388 -1.501 4.728 11.720 1.00 15.00 H new ATOM 0 HB2 ASN A 388 -1.357 2.309 12.105 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -3.013 2.844 11.900 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -3.478 0.109 9.744 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -3.864 0.884 11.285 1.00 15.00 H new ATOM 382 N ARG A 389 -0.102 4.066 8.926 1.00 15.00 N ATOM 383 CA ARG A 389 1.144 3.951 8.166 1.00 15.00 C ATOM 384 C ARG A 389 1.555 2.495 8.013 1.00 15.00 C ATOM 385 O ARG A 389 2.488 2.015 8.656 1.00 15.00 O ATOM 386 CB ARG A 389 2.284 4.783 8.761 1.00 15.00 C ATOM 387 CG ARG A 389 2.041 6.282 8.716 1.00 15.00 C ATOM 388 CD ARG A 389 3.207 7.040 9.321 1.00 15.00 C ATOM 389 NE ARG A 389 4.479 6.617 8.737 1.00 15.00 N ATOM 390 CZ ARG A 389 5.647 6.679 9.370 1.00 15.00 C ATOM 391 NH1 ARG A 389 5.730 7.233 10.574 1.00 15.00 N1+ ATOM 392 NH2 ARG A 389 6.735 6.195 8.787 1.00 15.00 N ATOM 0 H ARG A 389 -0.917 4.259 8.344 1.00 15.00 H new ATOM 0 HA ARG A 389 0.944 4.363 7.177 1.00 15.00 H new ATOM 0 HB2 ARG A 389 2.439 4.481 9.797 1.00 15.00 H new ATOM 0 HB3 ARG A 389 3.204 4.558 8.222 1.00 15.00 H new ATOM 0 HG2 ARG A 389 1.893 6.599 7.684 1.00 15.00 H new ATOM 0 HG3 ARG A 389 1.126 6.522 9.258 1.00 15.00 H new ATOM 0 HD2 ARG A 389 3.070 8.110 9.162 1.00 15.00 H new ATOM 0 HD3 ARG A 389 3.228 6.878 10.399 1.00 15.00 H new ATOM 0 HE ARG A 389 4.470 6.252 7.785 1.00 15.00 H new ATOM 0 HH11 ARG A 389 4.895 7.614 11.019 1.00 15.00 H new ATOM 0 HH12 ARG A 389 6.629 7.277 11.054 1.00 15.00 H new ATOM 0 HH21 ARG A 389 6.673 5.778 7.858 1.00 15.00 H new ATOM 0 HH22 ARG A 389 7.634 6.240 9.267 1.00 15.00 H new ATOM 406 N THR A 390 0.792 1.780 7.209 1.00 15.00 N ATOM 407 CA THR A 390 1.039 0.372 6.945 1.00 15.00 C ATOM 408 C THR A 390 0.677 0.043 5.501 1.00 15.00 C ATOM 409 O THR A 390 -0.266 0.606 4.953 1.00 15.00 O ATOM 410 CB THR A 390 0.228 -0.520 7.914 1.00 15.00 C ATOM 411 OG1 THR A 390 0.701 -0.328 9.253 1.00 15.00 O ATOM 412 CG2 THR A 390 0.322 -1.996 7.542 1.00 15.00 C ATOM 0 H THR A 390 -0.019 2.158 6.719 1.00 15.00 H new ATOM 0 HA THR A 390 2.099 0.172 7.103 1.00 15.00 H new ATOM 0 HB THR A 390 -0.819 -0.226 7.841 1.00 15.00 H new ATOM 0 HG1 THR A 390 0.139 0.334 9.707 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.262 -2.587 8.248 1.00 15.00 H new ATOM 0 HG22 THR A 390 -0.069 -2.143 6.535 1.00 15.00 H new ATOM 0 HG23 THR A 390 1.364 -2.314 7.577 1.00 15.00 H new ATOM 420 N THR A 391 1.439 -0.840 4.877 1.00 15.00 N ATOM 421 CA THR A 391 1.165 -1.236 3.511 1.00 15.00 C ATOM 422 C THR A 391 1.088 -2.759 3.394 1.00 15.00 C ATOM 423 O THR A 391 1.863 -3.481 4.022 1.00 15.00 O ATOM 424 CB THR A 391 2.215 -0.657 2.537 1.00 15.00 C ATOM 425 OG1 THR A 391 2.002 -1.165 1.216 1.00 15.00 O ATOM 426 CG2 THR A 391 3.634 -0.965 2.997 1.00 15.00 C ATOM 0 H THR A 391 2.250 -1.294 5.296 1.00 15.00 H new ATOM 0 HA THR A 391 0.195 -0.824 3.231 1.00 15.00 H new ATOM 0 HB THR A 391 2.095 0.426 2.526 1.00 15.00 H new ATOM 0 HG1 THR A 391 1.054 -1.084 0.983 1.00 15.00 H new ATOM 0 HG21 THR A 391 4.346 -0.543 2.288 1.00 15.00 H new ATOM 0 HG22 THR A 391 3.800 -0.528 3.982 1.00 15.00 H new ATOM 0 HG23 THR A 391 3.773 -2.045 3.051 1.00 15.00 H new ATOM 434 N THR A 392 0.131 -3.235 2.605 1.00 15.00 N ATOM 435 CA THR A 392 -0.132 -4.660 2.477 1.00 15.00 C ATOM 436 C THR A 392 -0.589 -4.999 1.059 1.00 15.00 C ATOM 437 O THR A 392 -1.162 -4.154 0.367 1.00 15.00 O ATOM 438 CB THR A 392 -1.192 -5.129 3.504 1.00 15.00 C ATOM 439 OG1 THR A 392 -1.401 -6.545 3.399 1.00 15.00 O ATOM 440 CG2 THR A 392 -2.513 -4.400 3.303 1.00 15.00 C ATOM 0 H THR A 392 -0.480 -2.646 2.040 1.00 15.00 H new ATOM 0 HA THR A 392 0.799 -5.188 2.682 1.00 15.00 H new ATOM 0 HB THR A 392 -0.815 -4.894 4.499 1.00 15.00 H new ATOM 0 HG1 THR A 392 -2.363 -6.733 3.375 1.00 15.00 H new ATOM 0 HG21 THR A 392 -3.237 -4.750 4.038 1.00 15.00 H new ATOM 0 HG22 THR A 392 -2.360 -3.328 3.427 1.00 15.00 H new ATOM 0 HG23 THR A 392 -2.889 -4.599 2.300 1.00 15.00 H new ATOM 448 N TRP A 393 -0.288 -6.220 0.612 1.00 15.00 N ATOM 449 CA TRP A 393 -0.684 -6.676 -0.721 1.00 15.00 C ATOM 450 C TRP A 393 -2.175 -7.017 -0.761 1.00 15.00 C ATOM 451 O TRP A 393 -2.756 -7.205 -1.833 1.00 15.00 O ATOM 452 CB TRP A 393 0.113 -7.920 -1.131 1.00 15.00 C ATOM 453 CG TRP A 393 1.591 -7.810 -0.905 1.00 15.00 C ATOM 454 CD1 TRP A 393 2.306 -8.417 0.088 1.00 15.00 C ATOM 455 CD2 TRP A 393 2.535 -7.061 -1.682 1.00 15.00 C ATOM 456 NE1 TRP A 393 3.632 -8.095 -0.027 1.00 15.00 N ATOM 457 CE2 TRP A 393 3.800 -7.264 -1.100 1.00 15.00 C ATOM 458 CE3 TRP A 393 2.441 -6.238 -2.810 1.00 15.00 C ATOM 459 CZ2 TRP A 393 4.954 -6.679 -1.601 1.00 15.00 C ATOM 460 CZ3 TRP A 393 3.592 -5.657 -3.310 1.00 15.00 C ATOM 461 CH2 TRP A 393 4.835 -5.880 -2.703 1.00 15.00 C ATOM 0 H TRP A 393 0.229 -6.911 1.155 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.477 -5.862 -1.416 1.00 15.00 H new ATOM 0 HB2 TRP A 393 -0.265 -8.778 -0.575 1.00 15.00 H new ATOM 0 HB3 TRP A 393 -0.067 -8.120 -2.187 1.00 15.00 H new ATOM 0 HD1 TRP A 393 1.887 -9.056 0.851 1.00 15.00 H new ATOM 0 HE1 TRP A 393 4.376 -8.423 0.589 1.00 15.00 H new ATOM 0 HE3 TRP A 393 1.486 -6.060 -3.282 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 5.914 -6.849 -1.136 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 3.532 -5.022 -4.181 1.00 15.00 H new ATOM 0 HH2 TRP A 393 5.717 -5.411 -3.114 1.00 15.00 H new ATOM 472 N THR A 394 -2.780 -7.126 0.411 1.00 15.00 N ATOM 473 CA THR A 394 -4.167 -7.547 0.529 1.00 15.00 C ATOM 474 C THR A 394 -5.117 -6.360 0.422 1.00 15.00 C ATOM 475 O THR A 394 -4.758 -5.234 0.770 1.00 15.00 O ATOM 476 CB THR A 394 -4.400 -8.280 1.863 1.00 15.00 C ATOM 477 OG1 THR A 394 -3.840 -7.516 2.938 1.00 15.00 O ATOM 478 CG2 THR A 394 -3.769 -9.663 1.838 1.00 15.00 C ATOM 0 H THR A 394 -2.327 -6.926 1.303 1.00 15.00 H new ATOM 0 HA THR A 394 -4.373 -8.230 -0.295 1.00 15.00 H new ATOM 0 HB THR A 394 -5.474 -8.392 2.012 1.00 15.00 H new ATOM 0 HG1 THR A 394 -3.991 -7.984 3.786 1.00 15.00 H new ATOM 0 HG21 THR A 394 -3.947 -10.161 2.791 1.00 15.00 H new ATOM 0 HG22 THR A 394 -4.211 -10.250 1.033 1.00 15.00 H new ATOM 0 HG23 THR A 394 -2.696 -9.570 1.672 1.00 15.00 H new ATOM 486 N ARG A 395 -6.317 -6.612 -0.090 1.00 15.00 N ATOM 487 CA ARG A 395 -7.332 -5.574 -0.208 1.00 15.00 C ATOM 488 C ARG A 395 -7.922 -5.247 1.162 1.00 15.00 C ATOM 489 O ARG A 395 -8.587 -6.083 1.773 1.00 15.00 O ATOM 490 CB ARG A 395 -8.444 -6.020 -1.162 1.00 15.00 C ATOM 491 CG ARG A 395 -9.517 -4.965 -1.374 1.00 15.00 C ATOM 492 CD ARG A 395 -8.945 -3.726 -2.042 1.00 15.00 C ATOM 493 NE ARG A 395 -9.791 -2.553 -1.844 1.00 15.00 N ATOM 494 CZ ARG A 395 -9.518 -1.356 -2.355 1.00 15.00 C ATOM 495 NH1 ARG A 395 -8.549 -1.221 -3.250 1.00 15.00 N1+ ATOM 496 NH2 ARG A 395 -10.240 -0.305 -2.012 1.00 15.00 N ATOM 0 H ARG A 395 -6.610 -7.528 -0.430 1.00 15.00 H new ATOM 0 HA ARG A 395 -6.860 -4.678 -0.611 1.00 15.00 H new ATOM 0 HB2 ARG A 395 -8.004 -6.279 -2.125 1.00 15.00 H new ATOM 0 HB3 ARG A 395 -8.908 -6.925 -0.770 1.00 15.00 H new ATOM 0 HG2 ARG A 395 -10.318 -5.376 -1.989 1.00 15.00 H new ATOM 0 HG3 ARG A 395 -9.958 -4.693 -0.415 1.00 15.00 H new ATOM 0 HD2 ARG A 395 -7.951 -3.526 -1.643 1.00 15.00 H new ATOM 0 HD3 ARG A 395 -8.828 -3.912 -3.110 1.00 15.00 H new ATOM 0 HE ARG A 395 -10.637 -2.657 -1.284 1.00 15.00 H new ATOM 0 HH11 ARG A 395 -8.012 -2.036 -3.547 1.00 15.00 H new ATOM 0 HH12 ARG A 395 -8.341 -0.302 -3.641 1.00 15.00 H new ATOM 0 HH21 ARG A 395 -11.011 -0.409 -1.352 1.00 15.00 H new ATOM 0 HH22 ARG A 395 -10.027 0.611 -2.407 1.00 15.00 H new ATOM 510 N PRO A 396 -7.673 -4.031 1.664 1.00 15.00 N ATOM 511 CA PRO A 396 -8.156 -3.607 2.978 1.00 15.00 C ATOM 512 C PRO A 396 -9.610 -3.139 2.956 1.00 15.00 C ATOM 513 O PRO A 396 -9.969 -2.206 2.233 1.00 15.00 O ATOM 514 CB PRO A 396 -7.229 -2.444 3.312 1.00 15.00 C ATOM 515 CG PRO A 396 -6.924 -1.833 1.987 1.00 15.00 C ATOM 516 CD PRO A 396 -6.881 -2.973 1.005 1.00 15.00 C ATOM 0 HA PRO A 396 -8.142 -4.421 3.703 1.00 15.00 H new ATOM 0 HB2 PRO A 396 -7.710 -1.729 3.980 1.00 15.00 H new ATOM 0 HB3 PRO A 396 -6.323 -2.787 3.811 1.00 15.00 H new ATOM 0 HG2 PRO A 396 -7.687 -1.106 1.708 1.00 15.00 H new ATOM 0 HG3 PRO A 396 -5.972 -1.303 2.012 1.00 15.00 H new ATOM 0 HD2 PRO A 396 -7.311 -2.690 0.044 1.00 15.00 H new ATOM 0 HD3 PRO A 396 -5.859 -3.298 0.813 1.00 15.00 H new ATOM 588 N GLU B 205 4.129 -12.458 -1.813 1.00 15.00 N ATOM 589 CA GLU B 205 5.286 -11.580 -1.903 1.00 15.00 C ATOM 590 C GLU B 205 5.715 -11.090 -0.525 1.00 15.00 C ATOM 591 O GLU B 205 4.881 -10.907 0.366 1.00 15.00 O ATOM 592 CB GLU B 205 4.959 -10.385 -2.800 1.00 15.00 C ATOM 593 CG GLU B 205 5.053 -10.700 -4.282 1.00 15.00 C ATOM 594 CD GLU B 205 6.484 -10.909 -4.731 1.00 15.00 C ATOM 595 OE1 GLU B 205 7.008 -12.032 -4.573 1.00 15.00 O1- ATOM 596 OE2 GLU B 205 7.102 -9.945 -5.222 1.00 15.00 O ATOM 0 HA GLU B 205 6.111 -12.147 -2.334 1.00 15.00 H new ATOM 0 HB2 GLU B 205 3.952 -10.035 -2.574 1.00 15.00 H new ATOM 0 HB3 GLU B 205 5.641 -9.567 -2.566 1.00 15.00 H new ATOM 0 HG2 GLU B 205 4.471 -11.596 -4.499 1.00 15.00 H new ATOM 0 HG3 GLU B 205 4.609 -9.885 -4.854 1.00 15.00 H new ATOM 603 N SER B 206 7.016 -10.865 -0.371 1.00 15.00 N ATOM 604 CA SER B 206 7.571 -10.305 0.854 1.00 15.00 C ATOM 605 C SER B 206 6.915 -8.961 1.161 1.00 15.00 C ATOM 606 O SER B 206 6.593 -8.218 0.241 1.00 15.00 O ATOM 607 CB SER B 206 9.081 -10.131 0.682 1.00 15.00 C ATOM 608 OG SER B 206 9.379 -9.395 -0.496 1.00 15.00 O ATOM 0 H SER B 206 7.712 -11.065 -1.089 1.00 15.00 H new ATOM 0 HA SER B 206 7.376 -10.980 1.687 1.00 15.00 H new ATOM 0 HB2 SER B 206 9.492 -9.616 1.550 1.00 15.00 H new ATOM 0 HB3 SER B 206 9.560 -11.109 0.635 1.00 15.00 H new ATOM 0 HG SER B 206 10.350 -9.296 -0.583 1.00 15.00 H new ATOM 614 N PRO B 207 6.741 -8.625 2.452 1.00 15.00 N ATOM 615 CA PRO B 207 6.060 -7.389 2.876 1.00 15.00 C ATOM 616 C PRO B 207 6.575 -6.146 2.151 1.00 15.00 C ATOM 617 O PRO B 207 7.788 -5.959 2.013 1.00 15.00 O ATOM 618 CB PRO B 207 6.394 -7.312 4.362 1.00 15.00 C ATOM 619 CG PRO B 207 6.546 -8.729 4.771 1.00 15.00 C ATOM 620 CD PRO B 207 7.186 -9.426 3.607 1.00 15.00 C ATOM 0 HA PRO B 207 4.993 -7.415 2.654 1.00 15.00 H new ATOM 0 HB2 PRO B 207 7.309 -6.746 4.536 1.00 15.00 H new ATOM 0 HB3 PRO B 207 5.602 -6.817 4.924 1.00 15.00 H new ATOM 0 HG2 PRO B 207 7.164 -8.813 5.665 1.00 15.00 H new ATOM 0 HG3 PRO B 207 5.579 -9.173 5.009 1.00 15.00 H new ATOM 0 HD2 PRO B 207 8.272 -9.440 3.693 1.00 15.00 H new ATOM 0 HD3 PRO B 207 6.859 -10.463 3.529 1.00 15.00 H new ATOM 628 N PRO B 208 5.647 -5.286 1.671 1.00 15.00 N ATOM 629 CA PRO B 208 5.984 -4.077 0.900 1.00 15.00 C ATOM 630 C PRO B 208 7.060 -3.211 1.548 1.00 15.00 C ATOM 631 O PRO B 208 7.204 -3.182 2.774 1.00 15.00 O ATOM 632 CB PRO B 208 4.663 -3.316 0.860 1.00 15.00 C ATOM 633 CG PRO B 208 3.631 -4.374 0.916 1.00 15.00 C ATOM 634 CD PRO B 208 4.184 -5.431 1.830 1.00 15.00 C ATOM 0 HA PRO B 208 6.396 -4.337 -0.075 1.00 15.00 H new ATOM 0 HB2 PRO B 208 4.574 -2.629 1.701 1.00 15.00 H new ATOM 0 HB3 PRO B 208 4.574 -2.721 -0.049 1.00 15.00 H new ATOM 0 HG2 PRO B 208 2.688 -3.982 1.296 1.00 15.00 H new ATOM 0 HG3 PRO B 208 3.431 -4.779 -0.076 1.00 15.00 H new ATOM 0 HD2 PRO B 208 3.874 -5.272 2.863 1.00 15.00 H new ATOM 0 HD3 PRO B 208 3.845 -6.427 1.545 1.00 15.00 H new ATOM 642 N PRO B 209 7.796 -2.470 0.709 1.00 15.00 N ATOM 643 CA PRO B 209 8.880 -1.577 1.146 1.00 15.00 C ATOM 644 C PRO B 209 8.445 -0.620 2.261 1.00 15.00 C ATOM 645 O PRO B 209 7.330 -0.093 2.236 1.00 15.00 O ATOM 646 CB PRO B 209 9.213 -0.803 -0.132 1.00 15.00 C ATOM 647 CG PRO B 209 8.844 -1.733 -1.233 1.00 15.00 C ATOM 648 CD PRO B 209 7.613 -2.436 -0.756 1.00 15.00 C ATOM 0 HA PRO B 209 9.722 -2.125 1.570 1.00 15.00 H new ATOM 0 HB2 PRO B 209 8.649 0.128 -0.192 1.00 15.00 H new ATOM 0 HB3 PRO B 209 10.270 -0.538 -0.173 1.00 15.00 H new ATOM 0 HG2 PRO B 209 8.654 -1.191 -2.159 1.00 15.00 H new ATOM 0 HG3 PRO B 209 9.648 -2.441 -1.437 1.00 15.00 H new ATOM 0 HD2 PRO B 209 6.707 -1.899 -1.037 1.00 15.00 H new ATOM 0 HD3 PRO B 209 7.533 -3.439 -1.176 1.00 15.00 H new ATOM 656 N PRO B 210 9.336 -0.384 3.249 1.00 15.00 N ATOM 657 CA PRO B 210 9.051 0.468 4.410 1.00 15.00 C ATOM 658 C PRO B 210 8.488 1.830 4.017 1.00 15.00 C ATOM 659 O PRO B 210 9.099 2.573 3.245 1.00 15.00 O ATOM 660 CB PRO B 210 10.417 0.633 5.097 1.00 15.00 C ATOM 661 CG PRO B 210 11.421 0.084 4.141 1.00 15.00 C ATOM 662 CD PRO B 210 10.694 -0.931 3.308 1.00 15.00 C ATOM 0 HA PRO B 210 8.291 0.021 5.051 1.00 15.00 H new ATOM 0 HB2 PRO B 210 10.620 1.681 5.318 1.00 15.00 H new ATOM 0 HB3 PRO B 210 10.445 0.096 6.045 1.00 15.00 H new ATOM 0 HG2 PRO B 210 11.837 0.875 3.516 1.00 15.00 H new ATOM 0 HG3 PRO B 210 12.255 -0.374 4.673 1.00 15.00 H new ATOM 0 HD2 PRO B 210 11.134 -1.031 2.316 1.00 15.00 H new ATOM 0 HD3 PRO B 210 10.713 -1.920 3.766 1.00 15.00 H new ATOM 670 N TYR B 211 7.325 2.153 4.560 1.00 15.00 N ATOM 671 CA TYR B 211 6.626 3.373 4.194 1.00 15.00 C ATOM 672 C TYR B 211 6.922 4.495 5.181 1.00 15.00 C ATOM 673 O TYR B 211 6.600 4.394 6.368 1.00 15.00 O ATOM 674 CB TYR B 211 5.118 3.115 4.141 1.00 15.00 C ATOM 675 CG TYR B 211 4.340 4.266 3.551 1.00 15.00 C ATOM 676 CD1 TYR B 211 4.248 4.418 2.177 1.00 15.00 C ATOM 677 CD2 TYR B 211 3.711 5.205 4.362 1.00 15.00 C ATOM 678 CE1 TYR B 211 3.555 5.469 1.624 1.00 15.00 C ATOM 679 CE2 TYR B 211 3.009 6.261 3.813 1.00 15.00 C ATOM 680 CZ TYR B 211 2.938 6.386 2.440 1.00 15.00 C ATOM 681 OH TYR B 211 2.261 7.439 1.879 1.00 15.00 O ATOM 0 H TYR B 211 6.845 1.585 5.258 1.00 15.00 H new ATOM 0 HA TYR B 211 6.978 3.682 3.210 1.00 15.00 H new ATOM 0 HB2 TYR B 211 4.930 2.217 3.552 1.00 15.00 H new ATOM 0 HB3 TYR B 211 4.754 2.917 5.149 1.00 15.00 H new ATOM 0 HD1 TYR B 211 4.728 3.699 1.530 1.00 15.00 H new ATOM 0 HD2 TYR B 211 3.772 5.107 5.436 1.00 15.00 H new ATOM 0 HE1 TYR B 211 3.496 5.573 0.551 1.00 15.00 H new ATOM 0 HE2 TYR B 211 2.520 6.982 4.452 1.00 15.00 H new ATOM 0 HH TYR B 211 2.814 8.246 1.927 1.00 15.00 H new ATOM 691 N SER B 212 7.535 5.565 4.695 1.00 15.00 N ATOM 692 CA SER B 212 7.804 6.716 5.536 1.00 15.00 C ATOM 693 C SER B 212 6.800 7.840 5.269 1.00 15.00 C ATOM 694 O SER B 212 5.874 8.053 6.055 1.00 15.00 O ATOM 695 CB SER B 212 9.237 7.196 5.302 1.00 15.00 C ATOM 696 OG SER B 212 9.565 7.186 3.919 1.00 15.00 O ATOM 0 H SER B 212 7.852 5.658 3.730 1.00 15.00 H new ATOM 0 HA SER B 212 7.694 6.423 6.580 1.00 15.00 H new ATOM 0 HB2 SER B 212 9.354 8.204 5.699 1.00 15.00 H new ATOM 0 HB3 SER B 212 9.931 6.556 5.847 1.00 15.00 H new ATOM 0 HG SER B 212 10.486 7.499 3.799 1.00 15.00 H new ATOM 702 N ARG B 213 6.967 8.537 4.150 1.00 15.00 N ATOM 703 CA ARG B 213 6.036 9.590 3.756 1.00 15.00 C ATOM 704 C ARG B 213 5.392 9.294 2.399 1.00 15.00 C ATOM 705 O ARG B 213 4.171 9.373 2.251 1.00 15.00 O ATOM 706 CB ARG B 213 6.738 10.954 3.746 1.00 15.00 C ATOM 707 CG ARG B 213 5.862 12.103 3.273 1.00 15.00 C ATOM 708 CD ARG B 213 6.546 13.447 3.486 1.00 15.00 C ATOM 709 NE ARG B 213 5.851 14.537 2.798 1.00 15.00 N ATOM 710 CZ ARG B 213 5.830 15.801 3.221 1.00 15.00 C ATOM 711 NH1 ARG B 213 6.376 16.136 4.384 1.00 15.00 N1+ ATOM 712 NH2 ARG B 213 5.242 16.730 2.478 1.00 15.00 N ATOM 0 H ARG B 213 7.739 8.392 3.499 1.00 15.00 H new ATOM 0 HA ARG B 213 5.235 9.620 4.495 1.00 15.00 H new ATOM 0 HB2 ARG B 213 7.094 11.174 4.752 1.00 15.00 H new ATOM 0 HB3 ARG B 213 7.616 10.893 3.103 1.00 15.00 H new ATOM 0 HG2 ARG B 213 5.630 11.974 2.216 1.00 15.00 H new ATOM 0 HG3 ARG B 213 4.914 12.086 3.811 1.00 15.00 H new ATOM 0 HD2 ARG B 213 6.592 13.664 4.553 1.00 15.00 H new ATOM 0 HD3 ARG B 213 7.574 13.390 3.128 1.00 15.00 H new ATOM 0 HE ARG B 213 5.350 14.314 1.938 1.00 15.00 H new ATOM 0 HH11 ARG B 213 6.818 15.423 4.964 1.00 15.00 H new ATOM 0 HH12 ARG B 213 6.354 17.106 4.697 1.00 15.00 H new ATOM 0 HH21 ARG B 213 4.810 16.475 1.590 1.00 15.00 H new ATOM 0 HH22 ARG B 213 5.222 17.699 2.795 1.00 15.00 H new ATOM 726 N TYR B 214 6.217 8.978 1.405 1.00 15.00 N ATOM 727 CA TYR B 214 5.731 8.692 0.061 1.00 15.00 C ATOM 728 C TYR B 214 5.935 7.221 -0.290 1.00 15.00 C ATOM 729 O TYR B 214 6.915 6.608 0.135 1.00 15.00 O ATOM 730 CB TYR B 214 6.452 9.579 -0.959 1.00 15.00 C ATOM 731 CG TYR B 214 6.234 11.055 -0.730 1.00 15.00 C ATOM 732 CD1 TYR B 214 4.961 11.603 -0.805 1.00 15.00 C ATOM 733 CD2 TYR B 214 7.297 11.898 -0.426 1.00 15.00 C ATOM 734 CE1 TYR B 214 4.752 12.948 -0.585 1.00 15.00 C ATOM 735 CE2 TYR B 214 7.094 13.245 -0.201 1.00 15.00 C ATOM 736 CZ TYR B 214 5.819 13.766 -0.284 1.00 15.00 C ATOM 737 OH TYR B 214 5.608 15.106 -0.053 1.00 15.00 O ATOM 0 H TYR B 214 7.230 8.914 1.507 1.00 15.00 H new ATOM 0 HA TYR B 214 4.663 8.907 0.031 1.00 15.00 H new ATOM 0 HB2 TYR B 214 7.521 9.367 -0.922 1.00 15.00 H new ATOM 0 HB3 TYR B 214 6.110 9.320 -1.961 1.00 15.00 H new ATOM 0 HD1 TYR B 214 4.121 10.966 -1.039 1.00 15.00 H new ATOM 0 HD2 TYR B 214 8.296 11.493 -0.365 1.00 15.00 H new ATOM 0 HE1 TYR B 214 3.755 13.359 -0.648 1.00 15.00 H new ATOM 0 HE2 TYR B 214 7.929 13.887 0.039 1.00 15.00 H new ATOM 0 HH TYR B 214 6.463 15.542 0.147 1.00 15.00 H new ATOM 747 N PRO B 215 5.016 6.644 -1.082 1.00 15.00 N ATOM 748 CA PRO B 215 5.101 5.241 -1.504 1.00 15.00 C ATOM 749 C PRO B 215 6.243 5.008 -2.491 1.00 15.00 C ATOM 750 O PRO B 215 6.404 5.746 -3.466 1.00 15.00 O ATOM 751 CB PRO B 215 3.749 4.981 -2.171 1.00 15.00 C ATOM 752 CG PRO B 215 3.263 6.318 -2.605 1.00 15.00 C ATOM 753 CD PRO B 215 3.813 7.309 -1.614 1.00 15.00 C ATOM 0 HA PRO B 215 5.305 4.574 -0.667 1.00 15.00 H new ATOM 0 HB2 PRO B 215 3.853 4.305 -3.020 1.00 15.00 H new ATOM 0 HB3 PRO B 215 3.050 4.515 -1.476 1.00 15.00 H new ATOM 0 HG2 PRO B 215 3.604 6.547 -3.614 1.00 15.00 H new ATOM 0 HG3 PRO B 215 2.174 6.349 -2.622 1.00 15.00 H new ATOM 0 HD2 PRO B 215 4.058 8.258 -2.091 1.00 15.00 H new ATOM 0 HD3 PRO B 215 3.094 7.526 -0.824 1.00 15.00 H new ATOM 761 N MET B 216 7.026 3.974 -2.241 1.00 15.00 N ATOM 762 CA MET B 216 8.206 3.695 -3.044 1.00 15.00 C ATOM 763 C MET B 216 8.378 2.194 -3.221 1.00 15.00 C ATOM 764 O MET B 216 8.220 1.430 -2.269 1.00 15.00 O ATOM 765 CB MET B 216 9.448 4.295 -2.371 1.00 15.00 C ATOM 766 CG MET B 216 9.755 3.692 -1.006 1.00 15.00 C ATOM 767 SD MET B 216 11.072 4.560 -0.132 1.00 15.00 S ATOM 768 CE MET B 216 10.294 6.149 0.150 1.00 15.00 C ATOM 0 H MET B 216 6.866 3.309 -1.484 1.00 15.00 H new ATOM 0 HA MET B 216 8.081 4.149 -4.027 1.00 15.00 H new ATOM 0 HB2 MET B 216 10.309 4.152 -3.024 1.00 15.00 H new ATOM 0 HB3 MET B 216 9.307 5.370 -2.260 1.00 15.00 H new ATOM 0 HG2 MET B 216 8.851 3.707 -0.397 1.00 15.00 H new ATOM 0 HG3 MET B 216 10.038 2.647 -1.132 1.00 15.00 H new ATOM 0 HE1 MET B 216 10.869 6.710 0.886 1.00 15.00 H new ATOM 0 HE2 MET B 216 10.258 6.708 -0.785 1.00 15.00 H new ATOM 0 HE3 MET B 216 9.280 5.997 0.521 1.00 15.00 H new ATOM 778 N ASP B 217 8.690 1.778 -4.437 1.00 15.00 N ATOM 779 CA ASP B 217 8.962 0.377 -4.720 1.00 15.00 C ATOM 780 C ASP B 217 10.254 0.259 -5.514 1.00 15.00 C ATOM 781 O ASP B 217 11.261 -0.218 -4.947 1.00 15.00 O ATOM 782 CB ASP B 217 7.798 -0.265 -5.487 1.00 15.00 C ATOM 783 CG ASP B 217 8.016 -1.742 -5.763 1.00 15.00 C ATOM 784 OD1 ASP B 217 8.595 -2.076 -6.818 1.00 15.00 O ATOM 785 OD2 ASP B 217 7.600 -2.583 -4.939 1.00 15.00 O1- ATOM 786 OXT ASP B 217 10.278 0.688 -6.686 1.00 15.00 O ATOM 0 H ASP B 217 8.762 2.393 -5.248 1.00 15.00 H new ATOM 0 HA ASP B 217 9.072 -0.156 -3.776 1.00 15.00 H new ATOM 0 HB2 ASP B 217 6.879 -0.139 -4.915 1.00 15.00 H new ATOM 0 HB3 ASP B 217 7.659 0.260 -6.432 1.00 15.00 H new