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 -140:sc= 1.36 USER MOD Set 1.2: A 394 THR OG1 : rot 180:sc= 1.08 USER MOD Set 2.1: A 386 HIS : no HD1:sc= 0.706 K(o=1.5,f=-4!) USER MOD Set 2.2: B 211 TYR OH : rot -101:sc= 0.843 USER MOD Set 3.1: A 385 ASN : amide:sc= -5.43! C(o=-7.6!,f=-16!) USER MOD Set 3.2: A 388 ASN : amide:sc= -2.21! C(o=-7.6!,f=-15!) USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0848) USER MOD Single : A 378 LYS NZ :NH3+ 168:sc= 2.3! (180deg=1.33!) USER MOD Single : A 381 THR OG1 : rot 180:sc= 0 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=-0.25) USER MOD Single : A 390 THR OG1 : rot 7:sc= 0.177 USER MOD Single : A 391 THR OG1 : rot 45:sc= 0.978 USER MOD Single : B 206 SER OG : rot 180:sc= -0.397 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 158:sc= -0.138 (180deg=-0.785) USER MOD ----------------------------------------------------------------- ATOM 24 N LEU A 367 -12.766 1.507 -1.070 1.00 15.00 N ATOM 25 CA LEU A 367 -11.613 2.365 -0.835 1.00 15.00 C ATOM 26 C LEU A 367 -11.794 3.142 0.468 1.00 15.00 C ATOM 27 O LEU A 367 -12.699 3.970 0.584 1.00 15.00 O ATOM 28 CB LEU A 367 -11.418 3.322 -2.020 1.00 15.00 C ATOM 29 CG LEU A 367 -9.985 3.840 -2.232 1.00 15.00 C ATOM 30 CD1 LEU A 367 -9.864 4.518 -3.587 1.00 15.00 C ATOM 31 CD2 LEU A 367 -9.574 4.809 -1.137 1.00 15.00 C ATOM 0 HA LEU A 367 -10.720 1.746 -0.744 1.00 15.00 H new ATOM 0 HB2 LEU A 367 -11.739 2.814 -2.930 1.00 15.00 H new ATOM 0 HB3 LEU A 367 -12.078 4.179 -1.883 1.00 15.00 H new ATOM 0 HG LEU A 367 -9.316 2.980 -2.194 1.00 15.00 H new ATOM 0 HD11 LEU A 367 -8.845 4.880 -3.723 1.00 15.00 H new ATOM 0 HD12 LEU A 367 -10.104 3.803 -4.374 1.00 15.00 H new ATOM 0 HD13 LEU A 367 -10.557 5.358 -3.637 1.00 15.00 H new ATOM 0 HD21 LEU A 367 -8.556 5.154 -1.320 1.00 15.00 H new ATOM 0 HD22 LEU A 367 -10.252 5.663 -1.134 1.00 15.00 H new ATOM 0 HD23 LEU A 367 -9.619 4.306 -0.171 1.00 15.00 H new ATOM 43 N PRO A 368 -10.936 2.880 1.467 1.00 15.00 N ATOM 44 CA PRO A 368 -10.989 3.564 2.752 1.00 15.00 C ATOM 45 C PRO A 368 -10.140 4.837 2.769 1.00 15.00 C ATOM 46 O PRO A 368 -9.107 4.924 2.102 1.00 15.00 O ATOM 47 CB PRO A 368 -10.416 2.524 3.711 1.00 15.00 C ATOM 48 CG PRO A 368 -9.490 1.685 2.890 1.00 15.00 C ATOM 49 CD PRO A 368 -9.875 1.858 1.441 1.00 15.00 C ATOM 0 HA PRO A 368 -11.996 3.896 3.005 1.00 15.00 H new ATOM 0 HB2 PRO A 368 -9.886 3.001 4.535 1.00 15.00 H new ATOM 0 HB3 PRO A 368 -11.208 1.918 4.150 1.00 15.00 H new ATOM 0 HG2 PRO A 368 -8.456 1.989 3.050 1.00 15.00 H new ATOM 0 HG3 PRO A 368 -9.563 0.637 3.182 1.00 15.00 H new ATOM 0 HD2 PRO A 368 -9.026 2.181 0.839 1.00 15.00 H new ATOM 0 HD3 PRO A 368 -10.233 0.923 1.010 1.00 15.00 H new ATOM 57 N SER A 369 -10.561 5.800 3.575 1.00 15.00 N ATOM 58 CA SER A 369 -9.951 7.121 3.584 1.00 15.00 C ATOM 59 C SER A 369 -8.545 7.071 4.175 1.00 15.00 C ATOM 60 O SER A 369 -8.328 6.554 5.272 1.00 15.00 O ATOM 61 CB SER A 369 -10.823 8.069 4.409 1.00 15.00 C ATOM 62 OG SER A 369 -12.188 7.950 4.041 1.00 15.00 O ATOM 0 H SER A 369 -11.329 5.689 4.237 1.00 15.00 H new ATOM 0 HA SER A 369 -9.875 7.479 2.557 1.00 15.00 H new ATOM 0 HB2 SER A 369 -10.707 7.846 5.470 1.00 15.00 H new ATOM 0 HB3 SER A 369 -10.491 9.097 4.261 1.00 15.00 H new ATOM 0 HG SER A 369 -12.727 8.564 4.582 1.00 15.00 H new ATOM 68 N GLY A 370 -7.590 7.608 3.427 1.00 15.00 N ATOM 69 CA GLY A 370 -6.214 7.623 3.868 1.00 15.00 C ATOM 70 C GLY A 370 -5.385 6.569 3.168 1.00 15.00 C ATOM 71 O GLY A 370 -4.161 6.539 3.304 1.00 15.00 O ATOM 0 H GLY A 370 -7.749 8.036 2.515 1.00 15.00 H new ATOM 0 HA2 GLY A 370 -5.784 8.607 3.681 1.00 15.00 H new ATOM 0 HA3 GLY A 370 -6.176 7.458 4.945 1.00 15.00 H new ATOM 75 N TRP A 371 -6.053 5.697 2.428 1.00 15.00 N ATOM 76 CA TRP A 371 -5.384 4.624 1.707 1.00 15.00 C ATOM 77 C TRP A 371 -5.221 4.983 0.236 1.00 15.00 C ATOM 78 O TRP A 371 -6.127 5.549 -0.376 1.00 15.00 O ATOM 79 CB TRP A 371 -6.190 3.329 1.820 1.00 15.00 C ATOM 80 CG TRP A 371 -6.107 2.652 3.157 1.00 15.00 C ATOM 81 CD1 TRP A 371 -6.701 3.042 4.327 1.00 15.00 C ATOM 82 CD2 TRP A 371 -5.398 1.442 3.452 1.00 15.00 C ATOM 83 NE1 TRP A 371 -6.407 2.143 5.324 1.00 15.00 N ATOM 84 CE2 TRP A 371 -5.608 1.156 4.812 1.00 15.00 C ATOM 85 CE3 TRP A 371 -4.606 0.574 2.695 1.00 15.00 C ATOM 86 CZ2 TRP A 371 -5.057 0.038 5.433 1.00 15.00 C ATOM 87 CZ3 TRP A 371 -4.057 -0.535 3.312 1.00 15.00 C ATOM 88 CH2 TRP A 371 -4.285 -0.795 4.669 1.00 15.00 C ATOM 0 H TRP A 371 -7.066 5.712 2.311 1.00 15.00 H new ATOM 0 HA TRP A 371 -4.399 4.483 2.151 1.00 15.00 H new ATOM 0 HB2 TRP A 371 -7.236 3.548 1.603 1.00 15.00 H new ATOM 0 HB3 TRP A 371 -5.845 2.634 1.054 1.00 15.00 H new ATOM 0 HD1 TRP A 371 -7.310 3.925 4.449 1.00 15.00 H new ATOM 0 HE1 TRP A 371 -6.732 2.202 6.289 1.00 15.00 H new ATOM 0 HE3 TRP A 371 -4.426 0.766 1.648 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 -5.232 -0.164 6.479 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 -3.442 -1.212 2.738 1.00 15.00 H new ATOM 0 HH2 TRP A 371 -3.843 -1.670 5.122 1.00 15.00 H new ATOM 99 N GLU A 372 -4.070 4.644 -0.327 1.00 15.00 N ATOM 100 CA GLU A 372 -3.847 4.798 -1.755 1.00 15.00 C ATOM 101 C GLU A 372 -3.371 3.479 -2.358 1.00 15.00 C ATOM 102 O GLU A 372 -2.415 2.867 -1.877 1.00 15.00 O ATOM 103 CB GLU A 372 -2.840 5.910 -2.057 1.00 15.00 C ATOM 104 CG GLU A 372 -3.254 7.284 -1.567 1.00 15.00 C ATOM 105 CD GLU A 372 -2.242 8.338 -1.951 1.00 15.00 C ATOM 106 OE1 GLU A 372 -1.242 8.499 -1.226 1.00 15.00 O1- ATOM 107 OE2 GLU A 372 -2.420 8.983 -3.003 1.00 15.00 O ATOM 0 H GLU A 372 -3.276 4.260 0.185 1.00 15.00 H new ATOM 0 HA GLU A 372 -4.797 5.081 -2.209 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.884 5.650 -1.604 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -2.680 5.955 -3.134 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -4.227 7.543 -1.986 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -3.368 7.266 -0.483 1.00 15.00 H new ATOM 114 N GLU A 373 -4.046 3.051 -3.411 1.00 15.00 N ATOM 115 CA GLU A 373 -3.727 1.794 -4.074 1.00 15.00 C ATOM 116 C GLU A 373 -2.952 2.087 -5.324 1.00 15.00 C ATOM 117 O GLU A 373 -3.490 2.623 -6.294 1.00 15.00 O ATOM 118 CB GLU A 373 -4.996 1.070 -4.449 1.00 15.00 C ATOM 119 CG GLU A 373 -6.101 1.385 -3.494 1.00 15.00 C ATOM 120 CD GLU A 373 -7.449 0.920 -4.004 1.00 15.00 C ATOM 121 OE1 GLU A 373 -7.476 -0.004 -4.851 1.00 15.00 O ATOM 122 OE2 GLU A 373 -8.483 1.438 -3.543 1.00 15.00 O1- ATOM 0 H GLU A 373 -4.825 3.559 -3.830 1.00 15.00 H new ATOM 0 HA GLU A 373 -3.141 1.171 -3.398 1.00 15.00 H new ATOM 0 HB2 GLU A 373 -5.294 1.352 -5.459 1.00 15.00 H new ATOM 0 HB3 GLU A 373 -4.815 -0.005 -4.458 1.00 15.00 H new ATOM 0 HG2 GLU A 373 -5.895 0.912 -2.534 1.00 15.00 H new ATOM 0 HG3 GLU A 373 -6.132 2.460 -3.319 1.00 15.00 H new ATOM 129 N ARG A 374 -1.699 1.752 -5.311 1.00 15.00 N ATOM 130 CA ARG A 374 -0.820 2.216 -6.342 1.00 15.00 C ATOM 131 C ARG A 374 -0.119 1.058 -7.023 1.00 15.00 C ATOM 132 O ARG A 374 0.544 0.243 -6.380 1.00 15.00 O ATOM 133 CB ARG A 374 0.145 3.195 -5.708 1.00 15.00 C ATOM 134 CG ARG A 374 -0.575 4.367 -5.039 1.00 15.00 C ATOM 135 CD ARG A 374 0.372 5.104 -4.106 1.00 15.00 C ATOM 136 NE ARG A 374 -0.066 6.467 -3.811 1.00 15.00 N ATOM 137 CZ ARG A 374 0.588 7.561 -4.218 1.00 15.00 C ATOM 138 NH1 ARG A 374 1.675 7.450 -4.976 1.00 15.00 N1+ ATOM 139 NH2 ARG A 374 0.155 8.765 -3.867 1.00 15.00 N ATOM 0 H ARG A 374 -1.262 1.162 -4.603 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.377 2.721 -7.131 1.00 15.00 H new ATOM 0 HB2 ARG A 374 0.753 2.675 -4.968 1.00 15.00 H new ATOM 0 HB3 ARG A 374 0.826 3.576 -6.469 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -0.954 5.051 -5.798 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -1.437 4.002 -4.480 1.00 15.00 H new ATOM 0 HD2 ARG A 374 0.462 4.547 -3.173 1.00 15.00 H new ATOM 0 HD3 ARG A 374 1.365 5.136 -4.555 1.00 15.00 H new ATOM 0 HE ARG A 374 -0.918 6.591 -3.264 1.00 15.00 H new ATOM 0 HH11 ARG A 374 2.014 6.528 -5.250 1.00 15.00 H new ATOM 0 HH12 ARG A 374 2.170 8.287 -5.284 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -0.678 8.858 -3.286 1.00 15.00 H new ATOM 0 HH22 ARG A 374 0.655 9.598 -4.178 1.00 15.00 H new ATOM 153 N LYS A 375 -0.302 0.985 -8.331 1.00 15.00 N ATOM 154 CA LYS A 375 0.210 -0.116 -9.124 1.00 15.00 C ATOM 155 C LYS A 375 1.379 0.367 -9.970 1.00 15.00 C ATOM 156 O LYS A 375 1.211 1.213 -10.850 1.00 15.00 O ATOM 157 CB LYS A 375 -0.884 -0.699 -10.040 1.00 15.00 C ATOM 158 CG LYS A 375 -2.225 -0.988 -9.363 1.00 15.00 C ATOM 159 CD LYS A 375 -3.051 0.281 -9.153 1.00 15.00 C ATOM 160 CE LYS A 375 -4.506 -0.023 -8.825 1.00 15.00 C ATOM 161 NZ LYS A 375 -4.646 -0.932 -7.658 1.00 15.00 N1+ ATOM 0 H LYS A 375 -0.809 1.687 -8.870 1.00 15.00 H new ATOM 0 HA LYS A 375 0.541 -0.902 -8.445 1.00 15.00 H new ATOM 0 HB2 LYS A 375 -1.054 -0.003 -10.862 1.00 15.00 H new ATOM 0 HB3 LYS A 375 -0.511 -1.625 -10.478 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -2.793 -1.693 -9.971 1.00 15.00 H new ATOM 0 HG3 LYS A 375 -2.048 -1.468 -8.400 1.00 15.00 H new ATOM 0 HD2 LYS A 375 -2.614 0.867 -8.344 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -3.004 0.895 -10.053 1.00 15.00 H new ATOM 0 HE2 LYS A 375 -5.032 0.910 -8.621 1.00 15.00 H new ATOM 0 HE3 LYS A 375 -4.985 -0.475 -9.694 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 -5.650 -1.015 -7.401 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 -4.273 -1.871 -7.903 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 -4.113 -0.547 -6.852 1.00 15.00 H new ATOM 175 N ASP A 376 2.560 -0.152 -9.687 1.00 15.00 N ATOM 176 CA ASP A 376 3.763 0.225 -10.412 1.00 15.00 C ATOM 177 C ASP A 376 3.950 -0.701 -11.612 1.00 15.00 C ATOM 178 O ASP A 376 3.573 -1.872 -11.549 1.00 15.00 O ATOM 179 CB ASP A 376 4.975 0.163 -9.485 1.00 15.00 C ATOM 180 CG ASP A 376 6.092 1.083 -9.931 1.00 15.00 C ATOM 181 OD1 ASP A 376 6.422 1.100 -11.132 1.00 15.00 O1- ATOM 182 OD2 ASP A 376 6.658 1.786 -9.075 1.00 15.00 O ATOM 0 H ASP A 376 2.714 -0.843 -8.953 1.00 15.00 H new ATOM 0 HA ASP A 376 3.663 1.248 -10.773 1.00 15.00 H new ATOM 0 HB2 ASP A 376 4.669 0.431 -8.474 1.00 15.00 H new ATOM 0 HB3 ASP A 376 5.346 -0.861 -9.445 1.00 15.00 H new ATOM 187 N ALA A 377 4.567 -0.184 -12.674 1.00 15.00 N ATOM 188 CA ALA A 377 4.635 -0.868 -13.970 1.00 15.00 C ATOM 189 C ALA A 377 5.330 -2.232 -13.902 1.00 15.00 C ATOM 190 O ALA A 377 5.185 -3.046 -14.814 1.00 15.00 O ATOM 191 CB ALA A 377 5.342 0.016 -14.985 1.00 15.00 C ATOM 0 H ALA A 377 5.035 0.722 -12.662 1.00 15.00 H new ATOM 0 HA ALA A 377 3.606 -1.054 -14.277 1.00 15.00 H new ATOM 0 HB1 ALA A 377 5.389 -0.498 -15.945 1.00 15.00 H new ATOM 0 HB2 ALA A 377 4.792 0.950 -15.100 1.00 15.00 H new ATOM 0 HB3 ALA A 377 6.353 0.231 -14.639 1.00 15.00 H new ATOM 197 N LYS A 378 6.077 -2.491 -12.830 1.00 15.00 N ATOM 198 CA LYS A 378 6.695 -3.808 -12.641 1.00 15.00 C ATOM 199 C LYS A 378 5.619 -4.852 -12.367 1.00 15.00 C ATOM 200 O LYS A 378 5.865 -6.053 -12.428 1.00 15.00 O ATOM 201 CB LYS A 378 7.696 -3.834 -11.476 1.00 15.00 C ATOM 202 CG LYS A 378 8.609 -2.626 -11.373 1.00 15.00 C ATOM 203 CD LYS A 378 8.034 -1.602 -10.412 1.00 15.00 C ATOM 204 CE LYS A 378 9.136 -0.866 -9.660 1.00 15.00 C ATOM 205 NZ LYS A 378 8.605 -0.050 -8.535 1.00 15.00 N1+ ATOM 0 H LYS A 378 6.269 -1.819 -12.087 1.00 15.00 H new ATOM 0 HA LYS A 378 7.236 -4.031 -13.561 1.00 15.00 H new ATOM 0 HB2 LYS A 378 7.139 -3.928 -10.543 1.00 15.00 H new ATOM 0 HB3 LYS A 378 8.313 -4.727 -11.570 1.00 15.00 H new ATOM 0 HG2 LYS A 378 9.596 -2.938 -11.033 1.00 15.00 H new ATOM 0 HG3 LYS A 378 8.738 -2.176 -12.357 1.00 15.00 H new ATOM 0 HD2 LYS A 378 7.426 -0.885 -10.963 1.00 15.00 H new ATOM 0 HD3 LYS A 378 7.375 -2.099 -9.700 1.00 15.00 H new ATOM 0 HE2 LYS A 378 9.854 -1.589 -9.274 1.00 15.00 H new ATOM 0 HE3 LYS A 378 9.675 -0.219 -10.352 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 9.392 0.266 -7.933 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 8.104 0.779 -8.914 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 7.947 -0.624 -7.970 1.00 15.00 H new ATOM 219 N GLY A 379 4.428 -4.369 -12.053 1.00 15.00 N ATOM 220 CA GLY A 379 3.363 -5.219 -11.590 1.00 15.00 C ATOM 221 C GLY A 379 3.382 -5.345 -10.087 1.00 15.00 C ATOM 222 O GLY A 379 3.091 -6.400 -9.528 1.00 15.00 O ATOM 0 H GLY A 379 4.181 -3.381 -12.114 1.00 15.00 H new ATOM 0 HA2 GLY A 379 2.404 -4.813 -11.912 1.00 15.00 H new ATOM 0 HA3 GLY A 379 3.459 -6.206 -12.042 1.00 15.00 H new ATOM 226 N ARG A 380 3.723 -4.242 -9.439 1.00 15.00 N ATOM 227 CA ARG A 380 3.762 -4.169 -7.991 1.00 15.00 C ATOM 228 C ARG A 380 2.595 -3.327 -7.492 1.00 15.00 C ATOM 229 O ARG A 380 2.574 -2.114 -7.690 1.00 15.00 O ATOM 230 CB ARG A 380 5.088 -3.554 -7.541 1.00 15.00 C ATOM 231 CG ARG A 380 6.303 -4.389 -7.910 1.00 15.00 C ATOM 232 CD ARG A 380 6.614 -5.422 -6.843 1.00 15.00 C ATOM 233 NE ARG A 380 7.111 -4.792 -5.622 1.00 15.00 N ATOM 234 CZ ARG A 380 7.454 -5.451 -4.521 1.00 15.00 C ATOM 235 NH1 ARG A 380 7.334 -6.775 -4.456 1.00 15.00 N1+ ATOM 236 NH2 ARG A 380 7.920 -4.773 -3.481 1.00 15.00 N ATOM 0 H ARG A 380 3.981 -3.372 -9.905 1.00 15.00 H new ATOM 0 HA ARG A 380 3.680 -5.172 -7.573 1.00 15.00 H new ATOM 0 HB2 ARG A 380 5.189 -2.564 -7.986 1.00 15.00 H new ATOM 0 HB3 ARG A 380 5.067 -3.417 -6.460 1.00 15.00 H new ATOM 0 HG2 ARG A 380 6.126 -4.890 -8.862 1.00 15.00 H new ATOM 0 HG3 ARG A 380 7.165 -3.737 -8.049 1.00 15.00 H new ATOM 0 HD2 ARG A 380 5.716 -5.997 -6.618 1.00 15.00 H new ATOM 0 HD3 ARG A 380 7.357 -6.125 -7.220 1.00 15.00 H new ATOM 0 HE ARG A 380 7.201 -3.776 -5.615 1.00 15.00 H new ATOM 0 HH11 ARG A 380 6.975 -7.295 -5.257 1.00 15.00 H new ATOM 0 HH12 ARG A 380 7.601 -7.270 -3.605 1.00 15.00 H new ATOM 0 HH21 ARG A 380 8.011 -3.758 -3.533 1.00 15.00 H new ATOM 0 HH22 ARG A 380 8.187 -5.266 -2.629 1.00 15.00 H new ATOM 250 N THR A 381 1.610 -3.968 -6.887 1.00 15.00 N ATOM 251 CA THR A 381 0.432 -3.261 -6.415 1.00 15.00 C ATOM 252 C THR A 381 0.376 -3.272 -4.891 1.00 15.00 C ATOM 253 O THR A 381 0.004 -4.273 -4.284 1.00 15.00 O ATOM 254 CB THR A 381 -0.853 -3.886 -6.986 1.00 15.00 C ATOM 255 OG1 THR A 381 -0.702 -4.101 -8.398 1.00 15.00 O ATOM 256 CG2 THR A 381 -2.051 -2.986 -6.742 1.00 15.00 C ATOM 0 H THR A 381 1.602 -4.973 -6.711 1.00 15.00 H new ATOM 0 HA THR A 381 0.502 -2.230 -6.762 1.00 15.00 H new ATOM 0 HB THR A 381 -1.022 -4.837 -6.481 1.00 15.00 H new ATOM 0 HG1 THR A 381 -1.521 -4.501 -8.758 1.00 15.00 H new ATOM 0 HG21 THR A 381 -2.946 -3.451 -7.155 1.00 15.00 H new ATOM 0 HG22 THR A 381 -2.182 -2.837 -5.670 1.00 15.00 H new ATOM 0 HG23 THR A 381 -1.887 -2.023 -7.225 1.00 15.00 H new ATOM 264 N TYR A 382 0.768 -2.164 -4.284 1.00 15.00 N ATOM 265 CA TYR A 382 0.803 -2.058 -2.837 1.00 15.00 C ATOM 266 C TYR A 382 -0.314 -1.152 -2.323 1.00 15.00 C ATOM 267 O TYR A 382 -0.545 -0.060 -2.851 1.00 15.00 O ATOM 268 CB TYR A 382 2.177 -1.542 -2.380 1.00 15.00 C ATOM 269 CG TYR A 382 2.733 -0.404 -3.218 1.00 15.00 C ATOM 270 CD1 TYR A 382 2.323 0.907 -3.012 1.00 15.00 C ATOM 271 CD2 TYR A 382 3.671 -0.647 -4.215 1.00 15.00 C ATOM 272 CE1 TYR A 382 2.828 1.940 -3.775 1.00 15.00 C ATOM 273 CE2 TYR A 382 4.180 0.383 -4.983 1.00 15.00 C ATOM 274 CZ TYR A 382 3.756 1.675 -4.759 1.00 15.00 C ATOM 275 OH TYR A 382 4.257 2.705 -5.524 1.00 15.00 O ATOM 0 H TYR A 382 1.068 -1.322 -4.775 1.00 15.00 H new ATOM 0 HA TYR A 382 0.643 -3.050 -2.416 1.00 15.00 H new ATOM 0 HB2 TYR A 382 2.100 -1.210 -1.345 1.00 15.00 H new ATOM 0 HB3 TYR A 382 2.886 -2.370 -2.398 1.00 15.00 H new ATOM 0 HD1 TYR A 382 1.597 1.121 -2.242 1.00 15.00 H new ATOM 0 HD2 TYR A 382 4.008 -1.658 -4.392 1.00 15.00 H new ATOM 0 HE1 TYR A 382 2.497 2.953 -3.602 1.00 15.00 H new ATOM 0 HE2 TYR A 382 4.907 0.176 -5.755 1.00 15.00 H new ATOM 0 HH TYR A 382 4.901 2.349 -6.171 1.00 15.00 H new ATOM 285 N TYR A 383 -1.016 -1.625 -1.304 1.00 15.00 N ATOM 286 CA TYR A 383 -2.016 -0.819 -0.625 1.00 15.00 C ATOM 287 C TYR A 383 -1.364 -0.102 0.540 1.00 15.00 C ATOM 288 O TYR A 383 -0.936 -0.741 1.502 1.00 15.00 O ATOM 289 CB TYR A 383 -3.161 -1.690 -0.106 1.00 15.00 C ATOM 290 CG TYR A 383 -3.882 -2.465 -1.180 1.00 15.00 C ATOM 291 CD1 TYR A 383 -3.450 -3.728 -1.561 1.00 15.00 C ATOM 292 CD2 TYR A 383 -4.999 -1.936 -1.808 1.00 15.00 C ATOM 293 CE1 TYR A 383 -4.109 -4.441 -2.541 1.00 15.00 C ATOM 294 CE2 TYR A 383 -5.664 -2.642 -2.787 1.00 15.00 C ATOM 295 CZ TYR A 383 -5.218 -3.893 -3.152 1.00 15.00 C ATOM 296 OH TYR A 383 -5.886 -4.592 -4.132 1.00 15.00 O ATOM 0 H TYR A 383 -0.910 -2.568 -0.929 1.00 15.00 H new ATOM 0 HA TYR A 383 -2.425 -0.099 -1.334 1.00 15.00 H new ATOM 0 HB2 TYR A 383 -2.765 -2.391 0.629 1.00 15.00 H new ATOM 0 HB3 TYR A 383 -3.879 -1.055 0.413 1.00 15.00 H new ATOM 0 HD1 TYR A 383 -2.583 -4.160 -1.082 1.00 15.00 H new ATOM 0 HD2 TYR A 383 -5.353 -0.956 -1.526 1.00 15.00 H new ATOM 0 HE1 TYR A 383 -3.759 -5.422 -2.828 1.00 15.00 H new ATOM 0 HE2 TYR A 383 -6.533 -2.216 -3.267 1.00 15.00 H new ATOM 0 HH TYR A 383 -6.644 -4.060 -4.454 1.00 15.00 H new ATOM 306 N VAL A 384 -1.250 1.209 0.444 1.00 15.00 N ATOM 307 CA VAL A 384 -0.589 1.975 1.486 1.00 15.00 C ATOM 308 C VAL A 384 -1.566 2.890 2.208 1.00 15.00 C ATOM 309 O VAL A 384 -2.538 3.362 1.626 1.00 15.00 O ATOM 310 CB VAL A 384 0.587 2.803 0.933 1.00 15.00 C ATOM 311 CG1 VAL A 384 1.703 1.893 0.450 1.00 15.00 C ATOM 312 CG2 VAL A 384 0.135 3.720 -0.185 1.00 15.00 C ATOM 0 H VAL A 384 -1.603 1.763 -0.337 1.00 15.00 H new ATOM 0 HA VAL A 384 -0.193 1.251 2.198 1.00 15.00 H new ATOM 0 HB VAL A 384 0.968 3.422 1.745 1.00 15.00 H new ATOM 0 HG11 VAL A 384 2.524 2.497 0.063 1.00 15.00 H new ATOM 0 HG12 VAL A 384 2.061 1.284 1.280 1.00 15.00 H new ATOM 0 HG13 VAL A 384 1.327 1.244 -0.341 1.00 15.00 H new ATOM 0 HG21 VAL A 384 0.987 4.291 -0.554 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -0.283 3.125 -0.997 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -0.625 4.405 0.191 1.00 15.00 H new ATOM 322 N ASN A 385 -1.304 3.128 3.479 1.00 15.00 N ATOM 323 CA ASN A 385 -2.179 3.944 4.302 1.00 15.00 C ATOM 324 C ASN A 385 -1.406 5.074 4.967 1.00 15.00 C ATOM 325 O ASN A 385 -0.400 4.837 5.630 1.00 15.00 O ATOM 326 CB ASN A 385 -2.844 3.085 5.379 1.00 15.00 C ATOM 327 CG ASN A 385 -3.794 3.894 6.245 1.00 15.00 C ATOM 328 OD1 ASN A 385 -3.887 3.687 7.448 1.00 15.00 O ATOM 329 ND2 ASN A 385 -4.526 4.816 5.633 1.00 15.00 N ATOM 0 H ASN A 385 -0.486 2.765 3.968 1.00 15.00 H new ATOM 0 HA ASN A 385 -2.942 4.374 3.653 1.00 15.00 H new ATOM 0 HB2 ASN A 385 -3.390 2.269 4.906 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -2.077 2.633 6.007 1.00 15.00 H new ATOM 0 HD21 ASN A 385 -5.190 5.377 6.167 1.00 15.00 H new ATOM 0 HD22 ASN A 385 -4.425 4.964 4.629 1.00 15.00 H new ATOM 336 N HIS A 386 -1.897 6.299 4.805 1.00 15.00 N ATOM 337 CA HIS A 386 -1.291 7.461 5.456 1.00 15.00 C ATOM 338 C HIS A 386 -1.815 7.614 6.882 1.00 15.00 C ATOM 339 O HIS A 386 -1.246 8.357 7.678 1.00 15.00 O ATOM 340 CB HIS A 386 -1.582 8.756 4.684 1.00 15.00 C ATOM 341 CG HIS A 386 -0.938 8.857 3.332 1.00 15.00 C ATOM 342 ND1 HIS A 386 0.215 9.577 3.102 1.00 15.00 N ATOM 343 CD2 HIS A 386 -1.318 8.369 2.129 1.00 15.00 C ATOM 344 CE1 HIS A 386 0.512 9.533 1.816 1.00 15.00 C ATOM 345 NE2 HIS A 386 -0.404 8.805 1.203 1.00 15.00 N ATOM 0 H HIS A 386 -2.711 6.515 4.230 1.00 15.00 H new ATOM 0 HA HIS A 386 -0.214 7.291 5.472 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -2.661 8.852 4.562 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -1.253 9.601 5.289 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -2.181 7.750 1.933 1.00 15.00 H new ATOM 0 HE1 HIS A 386 1.359 10.011 1.346 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.428 8.600 0.204 1.00 15.00 H new ATOM 354 N ASN A 387 -2.911 6.919 7.191 1.00 15.00 N ATOM 355 CA ASN A 387 -3.563 7.044 8.497 1.00 15.00 C ATOM 356 C ASN A 387 -2.706 6.423 9.599 1.00 15.00 C ATOM 357 O ASN A 387 -2.223 7.120 10.489 1.00 15.00 O ATOM 358 CB ASN A 387 -4.952 6.391 8.480 1.00 15.00 C ATOM 359 CG ASN A 387 -5.665 6.476 9.822 1.00 15.00 C ATOM 360 OD1 ASN A 387 -5.526 7.452 10.559 1.00 15.00 O ATOM 361 ND2 ASN A 387 -6.428 5.442 10.149 1.00 15.00 N ATOM 0 H ASN A 387 -3.366 6.264 6.555 1.00 15.00 H new ATOM 0 HA ASN A 387 -3.680 8.107 8.707 1.00 15.00 H new ATOM 0 HB2 ASN A 387 -5.565 6.873 7.718 1.00 15.00 H new ATOM 0 HB3 ASN A 387 -4.852 5.344 8.194 1.00 15.00 H new ATOM 0 HD21 ASN A 387 -6.926 5.437 11.039 1.00 15.00 H new ATOM 0 HD22 ASN A 387 -6.517 4.652 9.510 1.00 15.00 H new ATOM 368 N ASN A 388 -2.512 5.113 9.529 1.00 15.00 N ATOM 369 CA ASN A 388 -1.702 4.404 10.516 1.00 15.00 C ATOM 370 C ASN A 388 -0.257 4.279 10.044 1.00 15.00 C ATOM 371 O ASN A 388 0.631 3.926 10.822 1.00 15.00 O ATOM 372 CB ASN A 388 -2.293 3.021 10.839 1.00 15.00 C ATOM 373 CG ASN A 388 -2.494 2.137 9.618 1.00 15.00 C ATOM 374 OD1 ASN A 388 -1.772 2.234 8.628 1.00 15.00 O ATOM 375 ND2 ASN A 388 -3.492 1.271 9.678 1.00 15.00 N ATOM 0 H ASN A 388 -2.904 4.518 8.799 1.00 15.00 H new ATOM 0 HA ASN A 388 -1.712 4.991 11.434 1.00 15.00 H new ATOM 0 HB2 ASN A 388 -1.634 2.510 11.541 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -3.251 3.154 11.341 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -3.682 0.657 8.886 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -4.071 1.218 10.516 1.00 15.00 H new ATOM 382 N ARG A 389 -0.055 4.539 8.751 1.00 15.00 N ATOM 383 CA ARG A 389 1.247 4.418 8.100 1.00 15.00 C ATOM 384 C ARG A 389 1.650 2.953 8.011 1.00 15.00 C ATOM 385 O ARG A 389 2.523 2.473 8.736 1.00 15.00 O ATOM 386 CB ARG A 389 2.317 5.255 8.806 1.00 15.00 C ATOM 387 CG ARG A 389 1.934 6.720 8.938 1.00 15.00 C ATOM 388 CD ARG A 389 3.021 7.525 9.622 1.00 15.00 C ATOM 389 NE ARG A 389 2.567 8.876 9.958 1.00 15.00 N ATOM 390 CZ ARG A 389 3.366 9.936 10.047 1.00 15.00 C ATOM 391 NH1 ARG A 389 4.656 9.826 9.755 1.00 15.00 N1+ ATOM 392 NH2 ARG A 389 2.866 11.111 10.413 1.00 15.00 N ATOM 0 H ARG A 389 -0.799 4.842 8.122 1.00 15.00 H new ATOM 0 HA ARG A 389 1.161 4.815 7.089 1.00 15.00 H new ATOM 0 HB2 ARG A 389 2.498 4.842 9.798 1.00 15.00 H new ATOM 0 HB3 ARG A 389 3.253 5.178 8.253 1.00 15.00 H new ATOM 0 HG2 ARG A 389 1.741 7.136 7.949 1.00 15.00 H new ATOM 0 HG3 ARG A 389 1.007 6.804 9.506 1.00 15.00 H new ATOM 0 HD2 ARG A 389 3.337 7.011 10.530 1.00 15.00 H new ATOM 0 HD3 ARG A 389 3.893 7.586 8.971 1.00 15.00 H new ATOM 0 HE ARG A 389 1.572 9.014 10.136 1.00 15.00 H new ATOM 0 HH11 ARG A 389 5.038 8.927 9.461 1.00 15.00 H new ATOM 0 HH12 ARG A 389 5.266 10.641 9.824 1.00 15.00 H new ATOM 0 HH21 ARG A 389 1.872 11.199 10.625 1.00 15.00 H new ATOM 0 HH22 ARG A 389 3.476 11.926 10.482 1.00 15.00 H new ATOM 406 N THR A 390 0.934 2.240 7.159 1.00 15.00 N ATOM 407 CA THR A 390 1.104 0.809 6.986 1.00 15.00 C ATOM 408 C THR A 390 0.746 0.413 5.551 1.00 15.00 C ATOM 409 O THR A 390 -0.075 1.071 4.918 1.00 15.00 O ATOM 410 CB THR A 390 0.215 0.051 8.001 1.00 15.00 C ATOM 411 OG1 THR A 390 0.753 0.206 9.319 1.00 15.00 O ATOM 412 CG2 THR A 390 0.082 -1.422 7.662 1.00 15.00 C ATOM 0 H THR A 390 0.211 2.643 6.562 1.00 15.00 H new ATOM 0 HA THR A 390 2.145 0.542 7.168 1.00 15.00 H new ATOM 0 HB THR A 390 -0.785 0.483 7.953 1.00 15.00 H new ATOM 0 HG1 THR A 390 1.495 0.846 9.296 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.551 -1.910 8.403 1.00 15.00 H new ATOM 0 HG22 THR A 390 -0.367 -1.529 6.675 1.00 15.00 H new ATOM 0 HG23 THR A 390 1.068 -1.886 7.665 1.00 15.00 H new ATOM 420 N THR A 391 1.377 -0.633 5.030 1.00 15.00 N ATOM 421 CA THR A 391 1.054 -1.121 3.698 1.00 15.00 C ATOM 422 C THR A 391 0.943 -2.648 3.689 1.00 15.00 C ATOM 423 O THR A 391 1.648 -3.337 4.430 1.00 15.00 O ATOM 424 CB THR A 391 2.085 -0.641 2.650 1.00 15.00 C ATOM 425 OG1 THR A 391 1.801 -1.214 1.367 1.00 15.00 O ATOM 426 CG2 THR A 391 3.507 -0.983 3.060 1.00 15.00 C ATOM 0 H THR A 391 2.111 -1.156 5.508 1.00 15.00 H new ATOM 0 HA THR A 391 0.085 -0.704 3.423 1.00 15.00 H new ATOM 0 HB THR A 391 2.002 0.444 2.589 1.00 15.00 H new ATOM 0 HG1 THR A 391 0.839 -1.158 1.189 1.00 15.00 H new ATOM 0 HG21 THR A 391 4.201 -0.629 2.297 1.00 15.00 H new ATOM 0 HG22 THR A 391 3.737 -0.503 4.011 1.00 15.00 H new ATOM 0 HG23 THR A 391 3.605 -2.063 3.166 1.00 15.00 H new ATOM 434 N THR A 392 0.039 -3.167 2.864 1.00 15.00 N ATOM 435 CA THR A 392 -0.253 -4.591 2.833 1.00 15.00 C ATOM 436 C THR A 392 -0.695 -5.025 1.435 1.00 15.00 C ATOM 437 O THR A 392 -1.236 -4.219 0.676 1.00 15.00 O ATOM 438 CB THR A 392 -1.344 -4.962 3.864 1.00 15.00 C ATOM 439 OG1 THR A 392 -1.581 -6.376 3.836 1.00 15.00 O ATOM 440 CG2 THR A 392 -2.642 -4.211 3.584 1.00 15.00 C ATOM 0 H THR A 392 -0.507 -2.614 2.203 1.00 15.00 H new ATOM 0 HA THR A 392 0.665 -5.118 3.094 1.00 15.00 H new ATOM 0 HB THR A 392 -0.991 -4.673 4.854 1.00 15.00 H new ATOM 0 HG1 THR A 392 -2.541 -6.549 3.931 1.00 15.00 H new ATOM 0 HG21 THR A 392 -3.391 -4.491 4.324 1.00 15.00 H new ATOM 0 HG22 THR A 392 -2.461 -3.138 3.640 1.00 15.00 H new ATOM 0 HG23 THR A 392 -3.003 -4.467 2.588 1.00 15.00 H new ATOM 448 N TRP A 393 -0.417 -6.279 1.077 1.00 15.00 N ATOM 449 CA TRP A 393 -0.870 -6.827 -0.200 1.00 15.00 C ATOM 450 C TRP A 393 -2.356 -7.196 -0.133 1.00 15.00 C ATOM 451 O TRP A 393 -2.978 -7.495 -1.152 1.00 15.00 O ATOM 452 CB TRP A 393 -0.075 -8.082 -0.591 1.00 15.00 C ATOM 453 CG TRP A 393 1.416 -7.912 -0.599 1.00 15.00 C ATOM 454 CD1 TRP A 393 2.319 -8.618 0.147 1.00 15.00 C ATOM 455 CD2 TRP A 393 2.185 -6.992 -1.390 1.00 15.00 C ATOM 456 NE1 TRP A 393 3.593 -8.202 -0.138 1.00 15.00 N ATOM 457 CE2 TRP A 393 3.538 -7.201 -1.069 1.00 15.00 C ATOM 458 CE3 TRP A 393 1.865 -6.013 -2.336 1.00 15.00 C ATOM 459 CZ2 TRP A 393 4.567 -6.472 -1.657 1.00 15.00 C ATOM 460 CZ3 TRP A 393 2.889 -5.286 -2.916 1.00 15.00 C ATOM 461 CH2 TRP A 393 4.226 -5.519 -2.574 1.00 15.00 C ATOM 0 H TRP A 393 0.117 -6.931 1.651 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.709 -6.054 -0.951 1.00 15.00 H new ATOM 0 HB2 TRP A 393 -0.330 -8.885 0.100 1.00 15.00 H new ATOM 0 HB3 TRP A 393 -0.394 -8.402 -1.583 1.00 15.00 H new ATOM 0 HD1 TRP A 393 2.065 -9.391 0.857 1.00 15.00 H new ATOM 0 HE1 TRP A 393 4.445 -8.578 0.277 1.00 15.00 H new ATOM 0 HE3 TRP A 393 0.837 -5.828 -2.609 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 5.599 -6.653 -1.397 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 2.653 -4.525 -3.645 1.00 15.00 H new ATOM 0 HH2 TRP A 393 5.003 -4.934 -3.044 1.00 15.00 H new ATOM 472 N THR A 394 -2.906 -7.198 1.074 1.00 15.00 N ATOM 473 CA THR A 394 -4.288 -7.608 1.288 1.00 15.00 C ATOM 474 C THR A 394 -5.243 -6.433 1.117 1.00 15.00 C ATOM 475 O THR A 394 -4.879 -5.286 1.378 1.00 15.00 O ATOM 476 CB THR A 394 -4.473 -8.207 2.698 1.00 15.00 C ATOM 477 OG1 THR A 394 -4.114 -7.239 3.696 1.00 15.00 O ATOM 478 CG2 THR A 394 -3.623 -9.456 2.873 1.00 15.00 C ATOM 0 H THR A 394 -2.414 -6.919 1.923 1.00 15.00 H new ATOM 0 HA THR A 394 -4.518 -8.367 0.540 1.00 15.00 H new ATOM 0 HB THR A 394 -5.522 -8.479 2.815 1.00 15.00 H new ATOM 0 HG1 THR A 394 -4.236 -7.628 4.587 1.00 15.00 H new ATOM 0 HG21 THR A 394 -3.771 -9.859 3.875 1.00 15.00 H new ATOM 0 HG22 THR A 394 -3.916 -10.202 2.134 1.00 15.00 H new ATOM 0 HG23 THR A 394 -2.572 -9.203 2.735 1.00 15.00 H new ATOM 486 N ARG A 395 -6.464 -6.715 0.680 1.00 15.00 N ATOM 487 CA ARG A 395 -7.475 -5.678 0.549 1.00 15.00 C ATOM 488 C ARG A 395 -8.080 -5.356 1.912 1.00 15.00 C ATOM 489 O ARG A 395 -8.679 -6.221 2.554 1.00 15.00 O ATOM 490 CB ARG A 395 -8.585 -6.105 -0.416 1.00 15.00 C ATOM 491 CG ARG A 395 -9.544 -4.975 -0.749 1.00 15.00 C ATOM 492 CD ARG A 395 -8.822 -3.868 -1.494 1.00 15.00 C ATOM 493 NE ARG A 395 -9.544 -2.598 -1.475 1.00 15.00 N ATOM 494 CZ ARG A 395 -9.313 -1.622 -2.349 1.00 15.00 C ATOM 495 NH1 ARG A 395 -8.596 -1.872 -3.433 1.00 15.00 N1+ ATOM 496 NH2 ARG A 395 -9.848 -0.421 -2.179 1.00 15.00 N ATOM 0 H ARG A 395 -6.775 -7.649 0.412 1.00 15.00 H new ATOM 0 HA ARG A 395 -6.990 -4.789 0.147 1.00 15.00 H new ATOM 0 HB2 ARG A 395 -8.136 -6.477 -1.337 1.00 15.00 H new ATOM 0 HB3 ARG A 395 -9.144 -6.932 0.023 1.00 15.00 H new ATOM 0 HG2 ARG A 395 -10.366 -5.354 -1.356 1.00 15.00 H new ATOM 0 HG3 ARG A 395 -9.982 -4.579 0.168 1.00 15.00 H new ATOM 0 HD2 ARG A 395 -7.836 -3.725 -1.053 1.00 15.00 H new ATOM 0 HD3 ARG A 395 -8.667 -4.175 -2.528 1.00 15.00 H new ATOM 0 HE ARG A 395 -10.257 -2.453 -0.760 1.00 15.00 H new ATOM 0 HH11 ARG A 395 -8.225 -2.808 -3.594 1.00 15.00 H new ATOM 0 HH12 ARG A 395 -8.415 -1.128 -4.107 1.00 15.00 H new ATOM 0 HH21 ARG A 395 -10.444 -0.238 -1.372 1.00 15.00 H new ATOM 0 HH22 ARG A 395 -9.664 0.320 -2.856 1.00 15.00 H new ATOM 510 N PRO A 396 -7.922 -4.110 2.375 1.00 15.00 N ATOM 511 CA PRO A 396 -8.474 -3.668 3.657 1.00 15.00 C ATOM 512 C PRO A 396 -9.975 -3.391 3.565 1.00 15.00 C ATOM 513 O PRO A 396 -10.447 -2.790 2.598 1.00 15.00 O ATOM 514 CB PRO A 396 -7.698 -2.382 3.934 1.00 15.00 C ATOM 515 CG PRO A 396 -7.392 -1.835 2.580 1.00 15.00 C ATOM 516 CD PRO A 396 -7.188 -3.029 1.687 1.00 15.00 C ATOM 0 HA PRO A 396 -8.374 -4.418 4.442 1.00 15.00 H new ATOM 0 HB2 PRO A 396 -8.289 -1.680 4.522 1.00 15.00 H new ATOM 0 HB3 PRO A 396 -6.786 -2.581 4.497 1.00 15.00 H new ATOM 0 HG2 PRO A 396 -8.209 -1.211 2.217 1.00 15.00 H new ATOM 0 HG3 PRO A 396 -6.500 -1.209 2.604 1.00 15.00 H new ATOM 0 HD2 PRO A 396 -7.581 -2.852 0.686 1.00 15.00 H new ATOM 0 HD3 PRO A 396 -6.131 -3.270 1.576 1.00 15.00 H new ATOM 588 N GLU B 205 3.953 -11.916 -2.759 1.00 15.00 N ATOM 589 CA GLU B 205 5.125 -11.059 -2.888 1.00 15.00 C ATOM 590 C GLU B 205 5.784 -10.820 -1.534 1.00 15.00 C ATOM 591 O GLU B 205 5.123 -10.889 -0.495 1.00 15.00 O ATOM 592 CB GLU B 205 4.721 -9.720 -3.508 1.00 15.00 C ATOM 593 CG GLU B 205 4.496 -9.784 -5.007 1.00 15.00 C ATOM 594 CD GLU B 205 5.776 -10.056 -5.766 1.00 15.00 C ATOM 595 OE1 GLU B 205 6.627 -9.144 -5.843 1.00 15.00 O1- ATOM 596 OE2 GLU B 205 5.949 -11.184 -6.271 1.00 15.00 O ATOM 0 HA GLU B 205 5.845 -11.561 -3.534 1.00 15.00 H new ATOM 0 HB2 GLU B 205 3.808 -9.368 -3.027 1.00 15.00 H new ATOM 0 HB3 GLU B 205 5.496 -8.984 -3.297 1.00 15.00 H new ATOM 0 HG2 GLU B 205 3.770 -10.566 -5.231 1.00 15.00 H new ATOM 0 HG3 GLU B 205 4.066 -8.842 -5.349 1.00 15.00 H new ATOM 603 N SER B 206 7.081 -10.529 -1.561 1.00 15.00 N ATOM 604 CA SER B 206 7.824 -10.165 -0.360 1.00 15.00 C ATOM 605 C SER B 206 7.156 -8.956 0.293 1.00 15.00 C ATOM 606 O SER B 206 6.649 -8.085 -0.409 1.00 15.00 O ATOM 607 CB SER B 206 9.280 -9.844 -0.736 1.00 15.00 C ATOM 608 OG SER B 206 10.072 -9.566 0.411 1.00 15.00 O ATOM 0 H SER B 206 7.644 -10.539 -2.412 1.00 15.00 H new ATOM 0 HA SER B 206 7.824 -10.994 0.348 1.00 15.00 H new ATOM 0 HB2 SER B 206 9.709 -10.686 -1.279 1.00 15.00 H new ATOM 0 HB3 SER B 206 9.301 -8.987 -1.409 1.00 15.00 H new ATOM 0 HG SER B 206 10.991 -9.368 0.134 1.00 15.00 H new ATOM 614 N PRO B 207 7.163 -8.880 1.636 1.00 15.00 N ATOM 615 CA PRO B 207 6.472 -7.818 2.382 1.00 15.00 C ATOM 616 C PRO B 207 6.776 -6.422 1.842 1.00 15.00 C ATOM 617 O PRO B 207 7.936 -6.092 1.577 1.00 15.00 O ATOM 618 CB PRO B 207 7.033 -7.970 3.792 1.00 15.00 C ATOM 619 CG PRO B 207 7.352 -9.416 3.899 1.00 15.00 C ATOM 620 CD PRO B 207 7.828 -9.835 2.539 1.00 15.00 C ATOM 0 HA PRO B 207 5.388 -7.914 2.316 1.00 15.00 H new ATOM 0 HB2 PRO B 207 7.920 -7.354 3.937 1.00 15.00 H new ATOM 0 HB3 PRO B 207 6.307 -7.665 4.545 1.00 15.00 H new ATOM 0 HG2 PRO B 207 8.120 -9.592 4.653 1.00 15.00 H new ATOM 0 HG3 PRO B 207 6.474 -9.988 4.199 1.00 15.00 H new ATOM 0 HD2 PRO B 207 8.913 -9.776 2.457 1.00 15.00 H new ATOM 0 HD3 PRO B 207 7.547 -10.864 2.314 1.00 15.00 H new ATOM 628 N PRO B 208 5.725 -5.595 1.674 1.00 15.00 N ATOM 629 CA PRO B 208 5.836 -4.252 1.089 1.00 15.00 C ATOM 630 C PRO B 208 6.946 -3.409 1.701 1.00 15.00 C ATOM 631 O PRO B 208 7.260 -3.534 2.889 1.00 15.00 O ATOM 632 CB PRO B 208 4.483 -3.626 1.411 1.00 15.00 C ATOM 633 CG PRO B 208 3.547 -4.769 1.441 1.00 15.00 C ATOM 634 CD PRO B 208 4.323 -5.912 2.029 1.00 15.00 C ATOM 0 HA PRO B 208 6.081 -4.304 0.028 1.00 15.00 H new ATOM 0 HB2 PRO B 208 4.504 -3.105 2.368 1.00 15.00 H new ATOM 0 HB3 PRO B 208 4.194 -2.895 0.656 1.00 15.00 H new ATOM 0 HG2 PRO B 208 2.669 -4.540 2.044 1.00 15.00 H new ATOM 0 HG3 PRO B 208 3.192 -5.011 0.439 1.00 15.00 H new ATOM 0 HD2 PRO B 208 4.187 -5.977 3.109 1.00 15.00 H new ATOM 0 HD3 PRO B 208 4.009 -6.868 1.610 1.00 15.00 H new ATOM 642 N PRO B 209 7.521 -2.510 0.889 1.00 15.00 N ATOM 643 CA PRO B 209 8.590 -1.607 1.321 1.00 15.00 C ATOM 644 C PRO B 209 8.149 -0.753 2.506 1.00 15.00 C ATOM 645 O PRO B 209 7.033 -0.224 2.509 1.00 15.00 O ATOM 646 CB PRO B 209 8.836 -0.736 0.081 1.00 15.00 C ATOM 647 CG PRO B 209 8.327 -1.546 -1.058 1.00 15.00 C ATOM 648 CD PRO B 209 7.150 -2.289 -0.518 1.00 15.00 C ATOM 0 HA PRO B 209 9.481 -2.136 1.659 1.00 15.00 H new ATOM 0 HB2 PRO B 209 8.311 0.216 0.156 1.00 15.00 H new ATOM 0 HB3 PRO B 209 9.895 -0.507 -0.038 1.00 15.00 H new ATOM 0 HG2 PRO B 209 8.040 -0.910 -1.896 1.00 15.00 H new ATOM 0 HG3 PRO B 209 9.090 -2.232 -1.425 1.00 15.00 H new ATOM 0 HD2 PRO B 209 6.231 -1.710 -0.608 1.00 15.00 H new ATOM 0 HD3 PRO B 209 6.988 -3.229 -1.046 1.00 15.00 H new ATOM 656 N PRO B 210 9.020 -0.606 3.523 1.00 15.00 N ATOM 657 CA PRO B 210 8.703 0.130 4.750 1.00 15.00 C ATOM 658 C PRO B 210 8.099 1.499 4.467 1.00 15.00 C ATOM 659 O PRO B 210 8.718 2.352 3.827 1.00 15.00 O ATOM 660 CB PRO B 210 10.057 0.269 5.464 1.00 15.00 C ATOM 661 CG PRO B 210 11.085 -0.191 4.481 1.00 15.00 C ATOM 662 CD PRO B 210 10.385 -1.141 3.557 1.00 15.00 C ATOM 0 HA PRO B 210 7.954 -0.391 5.347 1.00 15.00 H new ATOM 0 HB2 PRO B 210 10.237 1.301 5.764 1.00 15.00 H new ATOM 0 HB3 PRO B 210 10.085 -0.335 6.371 1.00 15.00 H new ATOM 0 HG2 PRO B 210 11.501 0.652 3.930 1.00 15.00 H new ATOM 0 HG3 PRO B 210 11.916 -0.682 4.988 1.00 15.00 H new ATOM 0 HD2 PRO B 210 10.840 -1.153 2.567 1.00 15.00 H new ATOM 0 HD3 PRO B 210 10.410 -2.164 3.932 1.00 15.00 H new ATOM 670 N TYR B 211 6.885 1.698 4.949 1.00 15.00 N ATOM 671 CA TYR B 211 6.147 2.909 4.662 1.00 15.00 C ATOM 672 C TYR B 211 6.422 3.971 5.717 1.00 15.00 C ATOM 673 O TYR B 211 6.145 3.771 6.898 1.00 15.00 O ATOM 674 CB TYR B 211 4.649 2.611 4.595 1.00 15.00 C ATOM 675 CG TYR B 211 3.843 3.742 4.011 1.00 15.00 C ATOM 676 CD1 TYR B 211 3.722 3.880 2.638 1.00 15.00 C ATOM 677 CD2 TYR B 211 3.208 4.672 4.825 1.00 15.00 C ATOM 678 CE1 TYR B 211 2.993 4.909 2.089 1.00 15.00 C ATOM 679 CE2 TYR B 211 2.475 5.706 4.279 1.00 15.00 C ATOM 680 CZ TYR B 211 2.372 5.815 2.911 1.00 15.00 C ATOM 681 OH TYR B 211 1.651 6.841 2.363 1.00 15.00 O ATOM 0 H TYR B 211 6.390 1.032 5.543 1.00 15.00 H new ATOM 0 HA TYR B 211 6.477 3.290 3.695 1.00 15.00 H new ATOM 0 HB2 TYR B 211 4.490 1.714 3.997 1.00 15.00 H new ATOM 0 HB3 TYR B 211 4.283 2.394 5.599 1.00 15.00 H new ATOM 0 HD1 TYR B 211 4.208 3.168 1.988 1.00 15.00 H new ATOM 0 HD2 TYR B 211 3.289 4.585 5.898 1.00 15.00 H new ATOM 0 HE1 TYR B 211 2.910 5.003 1.016 1.00 15.00 H new ATOM 0 HE2 TYR B 211 1.986 6.424 4.920 1.00 15.00 H new ATOM 0 HH TYR B 211 2.185 7.662 2.381 1.00 15.00 H new ATOM 691 N SER B 212 6.981 5.093 5.288 1.00 15.00 N ATOM 692 CA SER B 212 7.216 6.207 6.188 1.00 15.00 C ATOM 693 C SER B 212 6.161 7.295 5.977 1.00 15.00 C ATOM 694 O SER B 212 5.235 7.432 6.777 1.00 15.00 O ATOM 695 CB SER B 212 8.620 6.769 5.971 1.00 15.00 C ATOM 696 OG SER B 212 9.602 5.754 6.110 1.00 15.00 O ATOM 0 H SER B 212 7.279 5.254 4.326 1.00 15.00 H new ATOM 0 HA SER B 212 7.139 5.852 7.216 1.00 15.00 H new ATOM 0 HB2 SER B 212 8.688 7.212 4.978 1.00 15.00 H new ATOM 0 HB3 SER B 212 8.812 7.566 6.690 1.00 15.00 H new ATOM 0 HG SER B 212 10.492 6.138 5.965 1.00 15.00 H new ATOM 702 N ARG B 213 6.284 8.053 4.890 1.00 15.00 N ATOM 703 CA ARG B 213 5.295 9.076 4.571 1.00 15.00 C ATOM 704 C ARG B 213 4.651 8.809 3.213 1.00 15.00 C ATOM 705 O ARG B 213 3.426 8.771 3.089 1.00 15.00 O ATOM 706 CB ARG B 213 5.925 10.470 4.600 1.00 15.00 C ATOM 707 CG ARG B 213 4.907 11.590 4.460 1.00 15.00 C ATOM 708 CD ARG B 213 5.558 12.959 4.541 1.00 15.00 C ATOM 709 NE ARG B 213 4.592 14.035 4.337 1.00 15.00 N ATOM 710 CZ ARG B 213 4.927 15.316 4.198 1.00 15.00 C ATOM 711 NH1 ARG B 213 6.197 15.693 4.283 1.00 15.00 N1+ ATOM 712 NH2 ARG B 213 3.987 16.226 3.988 1.00 15.00 N ATOM 0 H ARG B 213 7.051 7.979 4.222 1.00 15.00 H new ATOM 0 HA ARG B 213 4.515 9.036 5.332 1.00 15.00 H new ATOM 0 HB2 ARG B 213 6.468 10.597 5.536 1.00 15.00 H new ATOM 0 HB3 ARG B 213 6.655 10.549 3.794 1.00 15.00 H new ATOM 0 HG2 ARG B 213 4.387 11.491 3.507 1.00 15.00 H new ATOM 0 HG3 ARG B 213 4.156 11.498 5.244 1.00 15.00 H new ATOM 0 HD2 ARG B 213 6.033 13.078 5.515 1.00 15.00 H new ATOM 0 HD3 ARG B 213 6.346 13.031 3.791 1.00 15.00 H new ATOM 0 HE ARG B 213 3.602 13.791 4.299 1.00 15.00 H new ATOM 0 HH11 ARG B 213 6.924 14.999 4.456 1.00 15.00 H new ATOM 0 HH12 ARG B 213 6.445 16.676 4.175 1.00 15.00 H new ATOM 0 HH21 ARG B 213 3.008 15.945 3.933 1.00 15.00 H new ATOM 0 HH22 ARG B 213 4.242 17.208 3.881 1.00 15.00 H new ATOM 726 N TYR B 214 5.487 8.641 2.195 1.00 15.00 N ATOM 727 CA TYR B 214 5.015 8.356 0.845 1.00 15.00 C ATOM 728 C TYR B 214 5.531 6.996 0.388 1.00 15.00 C ATOM 729 O TYR B 214 6.619 6.576 0.789 1.00 15.00 O ATOM 730 CB TYR B 214 5.471 9.448 -0.131 1.00 15.00 C ATOM 731 CG TYR B 214 4.759 10.774 0.050 1.00 15.00 C ATOM 732 CD1 TYR B 214 5.248 11.730 0.925 1.00 15.00 C ATOM 733 CD2 TYR B 214 3.601 11.070 -0.660 1.00 15.00 C ATOM 734 CE1 TYR B 214 4.610 12.942 1.094 1.00 15.00 C ATOM 735 CE2 TYR B 214 2.956 12.284 -0.500 1.00 15.00 C ATOM 736 CZ TYR B 214 3.466 13.217 0.379 1.00 15.00 C ATOM 737 OH TYR B 214 2.831 14.428 0.549 1.00 15.00 O ATOM 0 H TYR B 214 6.502 8.698 2.280 1.00 15.00 H new ATOM 0 HA TYR B 214 3.925 8.339 0.857 1.00 15.00 H new ATOM 0 HB2 TYR B 214 6.543 9.604 -0.011 1.00 15.00 H new ATOM 0 HB3 TYR B 214 5.312 9.098 -1.151 1.00 15.00 H new ATOM 0 HD1 TYR B 214 6.147 11.523 1.486 1.00 15.00 H new ATOM 0 HD2 TYR B 214 3.198 10.341 -1.347 1.00 15.00 H new ATOM 0 HE1 TYR B 214 5.006 13.672 1.784 1.00 15.00 H new ATOM 0 HE2 TYR B 214 2.058 12.500 -1.060 1.00 15.00 H new ATOM 0 HH TYR B 214 2.040 14.466 -0.028 1.00 15.00 H new ATOM 747 N PRO B 215 4.758 6.301 -0.458 1.00 15.00 N ATOM 748 CA PRO B 215 5.116 4.965 -0.956 1.00 15.00 C ATOM 749 C PRO B 215 6.295 4.986 -1.926 1.00 15.00 C ATOM 750 O PRO B 215 6.335 5.789 -2.858 1.00 15.00 O ATOM 751 CB PRO B 215 3.851 4.510 -1.683 1.00 15.00 C ATOM 752 CG PRO B 215 3.173 5.771 -2.086 1.00 15.00 C ATOM 753 CD PRO B 215 3.465 6.760 -0.997 1.00 15.00 C ATOM 0 HA PRO B 215 5.430 4.308 -0.145 1.00 15.00 H new ATOM 0 HB2 PRO B 215 4.092 3.895 -2.550 1.00 15.00 H new ATOM 0 HB3 PRO B 215 3.215 3.909 -1.033 1.00 15.00 H new ATOM 0 HG2 PRO B 215 3.547 6.126 -3.047 1.00 15.00 H new ATOM 0 HG3 PRO B 215 2.100 5.619 -2.198 1.00 15.00 H new ATOM 0 HD2 PRO B 215 3.529 7.777 -1.384 1.00 15.00 H new ATOM 0 HD3 PRO B 215 2.687 6.758 -0.233 1.00 15.00 H new ATOM 761 N MET B 216 7.238 4.083 -1.711 1.00 15.00 N ATOM 762 CA MET B 216 8.395 3.962 -2.585 1.00 15.00 C ATOM 763 C MET B 216 8.705 2.486 -2.833 1.00 15.00 C ATOM 764 O MET B 216 8.876 1.714 -1.892 1.00 15.00 O ATOM 765 CB MET B 216 9.607 4.690 -1.980 1.00 15.00 C ATOM 766 CG MET B 216 10.057 4.153 -0.629 1.00 15.00 C ATOM 767 SD MET B 216 11.489 5.035 0.027 1.00 15.00 S ATOM 768 CE MET B 216 10.840 6.702 0.137 1.00 15.00 C ATOM 0 H MET B 216 7.225 3.420 -0.936 1.00 15.00 H new ATOM 0 HA MET B 216 8.170 4.433 -3.542 1.00 15.00 H new ATOM 0 HB2 MET B 216 10.441 4.623 -2.679 1.00 15.00 H new ATOM 0 HB3 MET B 216 9.364 5.747 -1.874 1.00 15.00 H new ATOM 0 HG2 MET B 216 9.233 4.228 0.080 1.00 15.00 H new ATOM 0 HG3 MET B 216 10.300 3.095 -0.725 1.00 15.00 H new ATOM 0 HE1 MET B 216 11.424 7.273 0.859 1.00 15.00 H new ATOM 0 HE2 MET B 216 10.902 7.182 -0.840 1.00 15.00 H new ATOM 0 HE3 MET B 216 9.799 6.667 0.459 1.00 15.00 H new ATOM 778 N ASP B 217 8.761 2.096 -4.102 1.00 15.00 N ATOM 779 CA ASP B 217 8.971 0.700 -4.474 1.00 15.00 C ATOM 780 C ASP B 217 10.073 0.594 -5.517 1.00 15.00 C ATOM 781 O ASP B 217 9.898 1.151 -6.619 1.00 15.00 O ATOM 782 CB ASP B 217 7.676 0.092 -5.021 1.00 15.00 C ATOM 783 CG ASP B 217 7.822 -1.374 -5.391 1.00 15.00 C ATOM 784 OD1 ASP B 217 7.800 -2.230 -4.481 1.00 15.00 O ATOM 785 OD2 ASP B 217 7.941 -1.682 -6.597 1.00 15.00 O1- ATOM 786 OXT ASP B 217 11.101 -0.053 -5.243 1.00 15.00 O ATOM 0 H ASP B 217 8.663 2.730 -4.895 1.00 15.00 H new ATOM 0 HA ASP B 217 9.270 0.147 -3.584 1.00 15.00 H new ATOM 0 HB2 ASP B 217 6.888 0.197 -4.275 1.00 15.00 H new ATOM 0 HB3 ASP B 217 7.360 0.654 -5.900 1.00 15.00 H new