USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 361 hydrogens (6 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 NoAdj-H: B 179 TPO H2 : B 179 TPO N : B 178 GLU C :(H bumps) USER MOD Set 1.1: A 388 ASN : amide:sc= -0.0302 K(o=-0.03,f=-0.79) USER MOD Set 1.2: A 390 THR OG1 : rot -150:sc= 0 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ -116:sc= -0.988 (180deg=-3.23!) USER MOD Single : A 378 LYS NZ :NH3+ 133:sc= 0.647 (180deg=-1.15) USER MOD Single : A 381 THR OG1 : rot 130:sc= -1.67 USER MOD Single : A 382 TYR OH : rot 59:sc= 1.78 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 385 ASN : amide:sc= -8.08! C(o=-8.1!,f=-4.4!) USER MOD Single : A 386 HIS : no HD1:sc= -5.05! C(o=-5.1!,f=-12!) USER MOD Single : A 387 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 391 THR OG1 : rot 80:sc= 0.463 USER MOD Single : A 392 THR OG1 : rot 150:sc= -1.21 USER MOD Single : A 394 THR OG1 : rot 180:sc= 0 USER MOD Single : A 398 MET CE :methyl -167:sc= -0.0262 (180deg=-0.282) USER MOD Single : A 399 GLN : amide:sc= -0.84 K(o=-0.84,f=-1.4) USER MOD Single : B 184 TYR OH : rot 180:sc= -3.54! USER MOD Single : B 186 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 366 11.211 -2.644 -3.040 1.00 15.00 N ATOM 2 CA GLY A 366 11.398 -2.099 -1.711 1.00 15.00 C ATOM 3 C GLY A 366 10.115 -2.090 -0.909 1.00 15.00 C ATOM 4 O GLY A 366 9.340 -1.130 -0.966 1.00 15.00 O ATOM 0 HA2 GLY A 366 12.150 -2.685 -1.183 1.00 15.00 H new ATOM 0 HA3 GLY A 366 11.783 -1.082 -1.788 1.00 15.00 H new ATOM 8 N LEU A 367 9.888 -3.160 -0.165 1.00 15.00 N ATOM 9 CA LEU A 367 8.689 -3.292 0.646 1.00 15.00 C ATOM 10 C LEU A 367 9.071 -3.370 2.122 1.00 15.00 C ATOM 11 O LEU A 367 10.004 -4.089 2.480 1.00 15.00 O ATOM 12 CB LEU A 367 7.930 -4.564 0.257 1.00 15.00 C ATOM 13 CG LEU A 367 6.461 -4.608 0.679 1.00 15.00 C ATOM 14 CD1 LEU A 367 5.621 -3.788 -0.280 1.00 15.00 C ATOM 15 CD2 LEU A 367 5.966 -6.043 0.745 1.00 15.00 C ATOM 0 H LEU A 367 10.524 -3.955 -0.106 1.00 15.00 H new ATOM 0 HA LEU A 367 8.053 -2.424 0.476 1.00 15.00 H new ATOM 0 HB2 LEU A 367 7.983 -4.681 -0.825 1.00 15.00 H new ATOM 0 HB3 LEU A 367 8.442 -5.420 0.696 1.00 15.00 H new ATOM 0 HG LEU A 367 6.368 -4.176 1.676 1.00 15.00 H new ATOM 0 HD11 LEU A 367 4.576 -3.825 0.028 1.00 15.00 H new ATOM 0 HD12 LEU A 367 5.965 -2.754 -0.272 1.00 15.00 H new ATOM 0 HD13 LEU A 367 5.717 -4.195 -1.287 1.00 15.00 H new ATOM 0 HD21 LEU A 367 4.919 -6.053 1.047 1.00 15.00 H new ATOM 0 HD22 LEU A 367 6.065 -6.508 -0.236 1.00 15.00 H new ATOM 0 HD23 LEU A 367 6.558 -6.599 1.471 1.00 15.00 H new ATOM 27 N PRO A 368 8.355 -2.651 3.002 1.00 15.00 N ATOM 28 CA PRO A 368 8.584 -2.725 4.429 1.00 15.00 C ATOM 29 C PRO A 368 7.734 -3.818 5.065 1.00 15.00 C ATOM 30 O PRO A 368 6.537 -3.951 4.789 1.00 15.00 O ATOM 31 CB PRO A 368 8.107 -1.363 4.915 1.00 15.00 C ATOM 32 CG PRO A 368 6.963 -1.072 4.021 1.00 15.00 C ATOM 33 CD PRO A 368 7.356 -1.631 2.679 1.00 15.00 C ATOM 0 HA PRO A 368 9.620 -2.955 4.680 1.00 15.00 H new ATOM 0 HB2 PRO A 368 7.804 -1.391 5.962 1.00 15.00 H new ATOM 0 HB3 PRO A 368 8.888 -0.608 4.830 1.00 15.00 H new ATOM 0 HG2 PRO A 368 6.048 -1.537 4.388 1.00 15.00 H new ATOM 0 HG3 PRO A 368 6.774 -0.000 3.961 1.00 15.00 H new ATOM 0 HD2 PRO A 368 6.500 -2.061 2.159 1.00 15.00 H new ATOM 0 HD3 PRO A 368 7.769 -0.859 2.030 1.00 15.00 H new ATOM 41 N SER A 369 8.361 -4.586 5.909 1.00 15.00 N ATOM 42 CA SER A 369 7.715 -5.701 6.571 1.00 15.00 C ATOM 43 C SER A 369 6.688 -5.208 7.590 1.00 15.00 C ATOM 44 O SER A 369 7.053 -4.676 8.637 1.00 15.00 O ATOM 45 CB SER A 369 8.775 -6.540 7.273 1.00 15.00 C ATOM 46 OG SER A 369 9.853 -6.819 6.394 1.00 15.00 O ATOM 0 H SER A 369 9.341 -4.462 6.164 1.00 15.00 H new ATOM 0 HA SER A 369 7.193 -6.302 5.826 1.00 15.00 H new ATOM 0 HB2 SER A 369 9.143 -6.010 8.152 1.00 15.00 H new ATOM 0 HB3 SER A 369 8.334 -7.473 7.624 1.00 15.00 H new ATOM 0 HG SER A 369 10.525 -7.357 6.862 1.00 15.00 H new ATOM 52 N GLY A 370 5.407 -5.336 7.265 1.00 15.00 N ATOM 53 CA GLY A 370 4.380 -4.965 8.210 1.00 15.00 C ATOM 54 C GLY A 370 3.100 -4.566 7.523 1.00 15.00 C ATOM 55 O GLY A 370 2.012 -4.778 8.051 1.00 15.00 O ATOM 0 H GLY A 370 5.066 -5.688 6.370 1.00 15.00 H new ATOM 0 HA2 GLY A 370 4.186 -5.801 8.882 1.00 15.00 H new ATOM 0 HA3 GLY A 370 4.735 -4.138 8.825 1.00 15.00 H new ATOM 59 N TRP A 371 3.225 -3.955 6.357 1.00 15.00 N ATOM 60 CA TRP A 371 2.071 -3.577 5.561 1.00 15.00 C ATOM 61 C TRP A 371 1.677 -4.730 4.656 1.00 15.00 C ATOM 62 O TRP A 371 2.480 -5.629 4.414 1.00 15.00 O ATOM 63 CB TRP A 371 2.390 -2.382 4.664 1.00 15.00 C ATOM 64 CG TRP A 371 3.055 -1.215 5.330 1.00 15.00 C ATOM 65 CD1 TRP A 371 3.744 -1.195 6.501 1.00 15.00 C ATOM 66 CD2 TRP A 371 3.069 0.118 4.839 1.00 15.00 C ATOM 67 NE1 TRP A 371 4.245 0.059 6.732 1.00 15.00 N ATOM 68 CE2 TRP A 371 3.822 0.894 5.733 1.00 15.00 C ATOM 69 CE3 TRP A 371 2.519 0.720 3.718 1.00 15.00 C ATOM 70 CZ2 TRP A 371 4.038 2.255 5.539 1.00 15.00 C ATOM 71 CZ3 TRP A 371 2.718 2.077 3.521 1.00 15.00 C ATOM 72 CH2 TRP A 371 3.473 2.832 4.431 1.00 15.00 C ATOM 0 H TRP A 371 4.122 -3.709 5.939 1.00 15.00 H new ATOM 0 HA TRP A 371 1.265 -3.319 6.249 1.00 15.00 H new ATOM 0 HB2 TRP A 371 3.031 -2.724 3.852 1.00 15.00 H new ATOM 0 HB3 TRP A 371 1.461 -2.035 4.212 1.00 15.00 H new ATOM 0 HD1 TRP A 371 3.877 -2.044 7.155 1.00 15.00 H new ATOM 0 HE1 TRP A 371 4.836 0.327 7.519 1.00 15.00 H new ATOM 0 HE3 TRP A 371 1.945 0.141 3.010 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 4.628 2.834 6.234 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 2.287 2.559 2.656 1.00 15.00 H new ATOM 0 HH2 TRP A 371 3.612 3.889 4.255 1.00 15.00 H new ATOM 83 N GLU A 372 0.465 -4.694 4.122 1.00 15.00 N ATOM 84 CA GLU A 372 0.113 -5.624 3.070 1.00 15.00 C ATOM 85 C GLU A 372 0.226 -4.883 1.747 1.00 15.00 C ATOM 86 O GLU A 372 -0.211 -3.742 1.644 1.00 15.00 O ATOM 87 CB GLU A 372 -1.304 -6.220 3.236 1.00 15.00 C ATOM 88 CG GLU A 372 -1.736 -6.444 4.675 1.00 15.00 C ATOM 89 CD GLU A 372 -0.888 -7.467 5.403 1.00 15.00 C ATOM 90 OE1 GLU A 372 -0.859 -8.635 4.969 1.00 15.00 O1- ATOM 91 OE2 GLU A 372 -0.257 -7.107 6.421 1.00 15.00 O ATOM 0 H GLU A 372 -0.273 -4.045 4.395 1.00 15.00 H new ATOM 0 HA GLU A 372 0.796 -6.473 3.111 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -2.021 -5.555 2.755 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -1.347 -7.172 2.706 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -1.691 -5.497 5.212 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.776 -6.769 4.688 1.00 15.00 H new ATOM 98 N GLU A 373 0.848 -5.482 0.750 1.00 15.00 N ATOM 99 CA GLU A 373 0.942 -4.825 -0.541 1.00 15.00 C ATOM 100 C GLU A 373 0.054 -5.489 -1.565 1.00 15.00 C ATOM 101 O GLU A 373 -0.191 -6.696 -1.514 1.00 15.00 O ATOM 102 CB GLU A 373 2.379 -4.766 -1.047 1.00 15.00 C ATOM 103 CG GLU A 373 3.110 -6.102 -1.074 1.00 15.00 C ATOM 104 CD GLU A 373 2.921 -6.854 -2.378 1.00 15.00 C ATOM 105 OE1 GLU A 373 2.927 -6.210 -3.447 1.00 15.00 O ATOM 106 OE2 GLU A 373 2.789 -8.097 -2.341 1.00 15.00 O1- ATOM 0 H GLU A 373 1.287 -6.401 0.804 1.00 15.00 H new ATOM 0 HA GLU A 373 0.595 -3.802 -0.396 1.00 15.00 H new ATOM 0 HB2 GLU A 373 2.376 -4.351 -2.055 1.00 15.00 H new ATOM 0 HB3 GLU A 373 2.941 -4.075 -0.419 1.00 15.00 H new ATOM 0 HG2 GLU A 373 4.174 -5.931 -0.910 1.00 15.00 H new ATOM 0 HG3 GLU A 373 2.756 -6.721 -0.249 1.00 15.00 H new ATOM 113 N ARG A 374 -0.407 -4.690 -2.500 1.00 15.00 N ATOM 114 CA ARG A 374 -1.277 -5.169 -3.557 1.00 15.00 C ATOM 115 C ARG A 374 -1.086 -4.368 -4.831 1.00 15.00 C ATOM 116 O ARG A 374 -1.363 -3.168 -4.877 1.00 15.00 O ATOM 117 CB ARG A 374 -2.755 -5.121 -3.146 1.00 15.00 C ATOM 118 CG ARG A 374 -3.189 -6.272 -2.251 1.00 15.00 C ATOM 119 CD ARG A 374 -4.674 -6.554 -2.401 1.00 15.00 C ATOM 120 NE ARG A 374 -5.510 -5.515 -1.817 1.00 15.00 N ATOM 121 CZ ARG A 374 -6.761 -5.271 -2.199 1.00 15.00 C ATOM 122 NH1 ARG A 374 -7.350 -6.046 -3.108 1.00 15.00 N1+ ATOM 123 NH2 ARG A 374 -7.431 -4.263 -1.660 1.00 15.00 N ATOM 0 H ARG A 374 -0.193 -3.694 -2.552 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.000 -6.207 -3.740 1.00 15.00 H new ATOM 0 HB2 ARG A 374 -2.947 -4.181 -2.629 1.00 15.00 H new ATOM 0 HB3 ARG A 374 -3.371 -5.122 -4.045 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -2.619 -7.166 -2.502 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -2.965 -6.033 -1.212 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -4.914 -6.655 -3.459 1.00 15.00 H new ATOM 0 HD3 ARG A 374 -4.907 -7.509 -1.929 1.00 15.00 H new ATOM 0 HE ARG A 374 -5.114 -4.941 -1.072 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -6.842 -6.831 -3.515 1.00 15.00 H new ATOM 0 HH12 ARG A 374 -8.309 -5.854 -3.397 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -6.988 -3.676 -0.954 1.00 15.00 H new ATOM 0 HH22 ARG A 374 -8.390 -4.074 -1.951 1.00 15.00 H new ATOM 137 N LYS A 375 -0.589 -5.034 -5.856 1.00 15.00 N ATOM 138 CA LYS A 375 -0.568 -4.465 -7.186 1.00 15.00 C ATOM 139 C LYS A 375 -1.866 -4.843 -7.889 1.00 15.00 C ATOM 140 O LYS A 375 -2.107 -6.023 -8.149 1.00 15.00 O ATOM 141 CB LYS A 375 0.637 -4.983 -7.976 1.00 15.00 C ATOM 142 CG LYS A 375 0.717 -4.436 -9.394 1.00 15.00 C ATOM 143 CD LYS A 375 1.990 -4.872 -10.111 1.00 15.00 C ATOM 144 CE LYS A 375 3.241 -4.258 -9.490 1.00 15.00 C ATOM 145 NZ LYS A 375 3.742 -5.035 -8.322 1.00 15.00 N1+ ATOM 0 H LYS A 375 -0.194 -5.972 -5.791 1.00 15.00 H new ATOM 0 HA LYS A 375 -0.480 -3.380 -7.122 1.00 15.00 H new ATOM 0 HB2 LYS A 375 1.551 -4.721 -7.442 1.00 15.00 H new ATOM 0 HB3 LYS A 375 0.593 -6.071 -8.017 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -0.151 -4.774 -9.961 1.00 15.00 H new ATOM 0 HG3 LYS A 375 0.674 -3.347 -9.364 1.00 15.00 H new ATOM 0 HD2 LYS A 375 2.068 -5.959 -10.081 1.00 15.00 H new ATOM 0 HD3 LYS A 375 1.930 -4.586 -11.161 1.00 15.00 H new ATOM 0 HE2 LYS A 375 4.025 -4.198 -10.245 1.00 15.00 H new ATOM 0 HE3 LYS A 375 3.023 -3.237 -9.176 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 3.676 -4.452 -7.463 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 3.166 -5.893 -8.203 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 4.734 -5.303 -8.483 1.00 15.00 H new ATOM 159 N ASP A 376 -2.714 -3.861 -8.169 1.00 15.00 N ATOM 160 CA ASP A 376 -4.001 -4.146 -8.779 1.00 15.00 C ATOM 161 C ASP A 376 -3.854 -4.105 -10.296 1.00 15.00 C ATOM 162 O ASP A 376 -3.194 -3.210 -10.831 1.00 15.00 O ATOM 163 CB ASP A 376 -5.047 -3.123 -8.319 1.00 15.00 C ATOM 164 CG ASP A 376 -6.463 -3.513 -8.710 1.00 15.00 C ATOM 165 OD1 ASP A 376 -6.743 -3.621 -9.920 1.00 15.00 O1- ATOM 166 OD2 ASP A 376 -7.301 -3.710 -7.805 1.00 15.00 O ATOM 0 H ASP A 376 -2.535 -2.874 -7.985 1.00 15.00 H new ATOM 0 HA ASP A 376 -4.336 -5.137 -8.473 1.00 15.00 H new ATOM 0 HB2 ASP A 376 -4.991 -3.014 -7.236 1.00 15.00 H new ATOM 0 HB3 ASP A 376 -4.811 -2.150 -8.750 1.00 15.00 H new ATOM 171 N ALA A 377 -4.499 -5.050 -10.982 1.00 15.00 N ATOM 172 CA ALA A 377 -4.347 -5.209 -12.425 1.00 15.00 C ATOM 173 C ALA A 377 -4.828 -3.980 -13.192 1.00 15.00 C ATOM 174 O ALA A 377 -4.541 -3.834 -14.382 1.00 15.00 O ATOM 175 CB ALA A 377 -5.094 -6.449 -12.894 1.00 15.00 C ATOM 0 H ALA A 377 -5.137 -5.721 -10.554 1.00 15.00 H new ATOM 0 HA ALA A 377 -3.283 -5.325 -12.633 1.00 15.00 H new ATOM 0 HB1 ALA A 377 -4.975 -6.560 -13.972 1.00 15.00 H new ATOM 0 HB2 ALA A 377 -4.690 -7.328 -12.392 1.00 15.00 H new ATOM 0 HB3 ALA A 377 -6.153 -6.348 -12.654 1.00 15.00 H new ATOM 181 N LYS A 378 -5.546 -3.091 -12.511 1.00 15.00 N ATOM 182 CA LYS A 378 -6.028 -1.866 -13.134 1.00 15.00 C ATOM 183 C LYS A 378 -4.880 -0.874 -13.347 1.00 15.00 C ATOM 184 O LYS A 378 -5.073 0.199 -13.907 1.00 15.00 O ATOM 185 CB LYS A 378 -7.155 -1.244 -12.295 1.00 15.00 C ATOM 186 CG LYS A 378 -6.731 -0.740 -10.920 1.00 15.00 C ATOM 187 CD LYS A 378 -7.939 -0.576 -10.006 1.00 15.00 C ATOM 188 CE LYS A 378 -7.591 0.174 -8.731 1.00 15.00 C ATOM 189 NZ LYS A 378 -7.286 1.594 -9.019 1.00 15.00 N1+ ATOM 0 H LYS A 378 -5.805 -3.197 -11.530 1.00 15.00 H new ATOM 0 HA LYS A 378 -6.435 -2.114 -14.114 1.00 15.00 H new ATOM 0 HB2 LYS A 378 -7.587 -0.413 -12.853 1.00 15.00 H new ATOM 0 HB3 LYS A 378 -7.944 -1.985 -12.166 1.00 15.00 H new ATOM 0 HG2 LYS A 378 -6.024 -1.440 -10.474 1.00 15.00 H new ATOM 0 HG3 LYS A 378 -6.214 0.214 -11.021 1.00 15.00 H new ATOM 0 HD2 LYS A 378 -8.726 -0.041 -10.538 1.00 15.00 H new ATOM 0 HD3 LYS A 378 -8.337 -1.558 -9.752 1.00 15.00 H new ATOM 0 HE2 LYS A 378 -8.423 0.112 -8.029 1.00 15.00 H new ATOM 0 HE3 LYS A 378 -6.733 -0.296 -8.251 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 -7.795 2.202 -8.346 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 -6.263 1.755 -8.926 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 -7.586 1.824 -9.988 1.00 15.00 H new ATOM 203 N GLY A 379 -3.681 -1.259 -12.921 1.00 15.00 N ATOM 204 CA GLY A 379 -2.505 -0.444 -13.162 1.00 15.00 C ATOM 205 C GLY A 379 -2.228 0.556 -12.057 1.00 15.00 C ATOM 206 O GLY A 379 -1.762 1.665 -12.315 1.00 15.00 O ATOM 0 H GLY A 379 -3.503 -2.124 -12.411 1.00 15.00 H new ATOM 0 HA2 GLY A 379 -1.639 -1.095 -13.278 1.00 15.00 H new ATOM 0 HA3 GLY A 379 -2.630 0.091 -14.103 1.00 15.00 H new ATOM 210 N ARG A 380 -2.503 0.157 -10.824 1.00 15.00 N ATOM 211 CA ARG A 380 -2.209 0.985 -9.661 1.00 15.00 C ATOM 212 C ARG A 380 -1.796 0.111 -8.470 1.00 15.00 C ATOM 213 O ARG A 380 -2.588 -0.694 -7.977 1.00 15.00 O ATOM 214 CB ARG A 380 -3.411 1.874 -9.302 1.00 15.00 C ATOM 215 CG ARG A 380 -3.395 3.238 -9.993 1.00 15.00 C ATOM 216 CD ARG A 380 -4.772 3.912 -10.003 1.00 15.00 C ATOM 217 NE ARG A 380 -5.671 3.336 -11.017 1.00 15.00 N ATOM 218 CZ ARG A 380 -5.337 3.058 -12.291 1.00 15.00 C ATOM 219 NH1 ARG A 380 -4.175 3.432 -12.807 1.00 15.00 N1+ ATOM 220 NH2 ARG A 380 -6.213 2.460 -13.074 1.00 15.00 N ATOM 0 H ARG A 380 -2.932 -0.741 -10.601 1.00 15.00 H new ATOM 0 HA ARG A 380 -1.374 1.640 -9.909 1.00 15.00 H new ATOM 0 HB2 ARG A 380 -4.330 1.352 -9.569 1.00 15.00 H new ATOM 0 HB3 ARG A 380 -3.431 2.024 -8.223 1.00 15.00 H new ATOM 0 HG2 ARG A 380 -2.680 3.888 -9.488 1.00 15.00 H new ATOM 0 HG3 ARG A 380 -3.047 3.117 -11.019 1.00 15.00 H new ATOM 0 HD2 ARG A 380 -5.229 3.814 -9.018 1.00 15.00 H new ATOM 0 HD3 ARG A 380 -4.650 4.978 -10.193 1.00 15.00 H new ATOM 0 HE ARG A 380 -6.628 3.130 -10.730 1.00 15.00 H new ATOM 0 HH11 ARG A 380 -3.505 3.946 -12.235 1.00 15.00 H new ATOM 0 HH12 ARG A 380 -3.951 3.206 -13.776 1.00 15.00 H new ATOM 0 HH21 ARG A 380 -7.134 2.212 -12.713 1.00 15.00 H new ATOM 0 HH22 ARG A 380 -5.970 2.245 -14.041 1.00 15.00 H new ATOM 234 N THR A 381 -0.544 0.254 -8.038 1.00 15.00 N ATOM 235 CA THR A 381 -0.014 -0.505 -6.913 1.00 15.00 C ATOM 236 C THR A 381 -0.099 0.325 -5.638 1.00 15.00 C ATOM 237 O THR A 381 0.304 1.489 -5.634 1.00 15.00 O ATOM 238 CB THR A 381 1.458 -0.887 -7.164 1.00 15.00 C ATOM 239 OG1 THR A 381 1.576 -1.573 -8.417 1.00 15.00 O ATOM 240 CG2 THR A 381 2.008 -1.766 -6.047 1.00 15.00 C ATOM 0 H THR A 381 0.127 0.897 -8.458 1.00 15.00 H new ATOM 0 HA THR A 381 -0.608 -1.412 -6.804 1.00 15.00 H new ATOM 0 HB THR A 381 2.041 0.033 -7.189 1.00 15.00 H new ATOM 0 HG1 THR A 381 2.291 -1.164 -8.948 1.00 15.00 H new ATOM 0 HG21 THR A 381 3.048 -2.015 -6.259 1.00 15.00 H new ATOM 0 HG22 THR A 381 1.949 -1.230 -5.100 1.00 15.00 H new ATOM 0 HG23 THR A 381 1.421 -2.682 -5.983 1.00 15.00 H new ATOM 248 N TYR A 382 -0.613 -0.255 -4.562 1.00 15.00 N ATOM 249 CA TYR A 382 -0.769 0.493 -3.327 1.00 15.00 C ATOM 250 C TYR A 382 -0.341 -0.334 -2.121 1.00 15.00 C ATOM 251 O TYR A 382 -0.447 -1.565 -2.125 1.00 15.00 O ATOM 252 CB TYR A 382 -2.214 0.979 -3.181 1.00 15.00 C ATOM 253 CG TYR A 382 -3.160 0.052 -2.462 1.00 15.00 C ATOM 254 CD1 TYR A 382 -3.621 -1.126 -3.039 1.00 15.00 C ATOM 255 CD2 TYR A 382 -3.611 0.385 -1.205 1.00 15.00 C ATOM 256 CE1 TYR A 382 -4.506 -1.945 -2.363 1.00 15.00 C ATOM 257 CE2 TYR A 382 -4.494 -0.416 -0.528 1.00 15.00 C ATOM 258 CZ TYR A 382 -4.941 -1.582 -1.104 1.00 15.00 C ATOM 259 OH TYR A 382 -5.829 -2.383 -0.422 1.00 15.00 O ATOM 0 H TYR A 382 -0.924 -1.226 -4.520 1.00 15.00 H new ATOM 0 HA TYR A 382 -0.116 1.364 -3.370 1.00 15.00 H new ATOM 0 HB2 TYR A 382 -2.203 1.933 -2.654 1.00 15.00 H new ATOM 0 HB3 TYR A 382 -2.613 1.170 -4.177 1.00 15.00 H new ATOM 0 HD1 TYR A 382 -3.284 -1.404 -4.027 1.00 15.00 H new ATOM 0 HD2 TYR A 382 -3.262 1.296 -0.742 1.00 15.00 H new ATOM 0 HE1 TYR A 382 -4.854 -2.861 -2.816 1.00 15.00 H new ATOM 0 HE2 TYR A 382 -4.838 -0.132 0.456 1.00 15.00 H new ATOM 0 HH TYR A 382 -5.440 -3.274 -0.302 1.00 15.00 H new ATOM 269 N TYR A 383 0.146 0.350 -1.096 1.00 15.00 N ATOM 270 CA TYR A 383 0.601 -0.308 0.118 1.00 15.00 C ATOM 271 C TYR A 383 -0.270 0.128 1.303 1.00 15.00 C ATOM 272 O TYR A 383 -0.524 1.323 1.479 1.00 15.00 O ATOM 273 CB TYR A 383 2.070 0.038 0.384 1.00 15.00 C ATOM 274 CG TYR A 383 2.970 -0.084 -0.824 1.00 15.00 C ATOM 275 CD1 TYR A 383 3.493 -1.312 -1.202 1.00 15.00 C ATOM 276 CD2 TYR A 383 3.305 1.034 -1.580 1.00 15.00 C ATOM 277 CE1 TYR A 383 4.324 -1.425 -2.299 1.00 15.00 C ATOM 278 CE2 TYR A 383 4.137 0.929 -2.678 1.00 15.00 C ATOM 279 CZ TYR A 383 4.644 -0.303 -3.033 1.00 15.00 C ATOM 280 OH TYR A 383 5.478 -0.412 -4.121 1.00 15.00 O ATOM 0 H TYR A 383 0.236 1.366 -1.082 1.00 15.00 H new ATOM 0 HA TYR A 383 0.514 -1.387 -0.007 1.00 15.00 H new ATOM 0 HB2 TYR A 383 2.127 1.059 0.763 1.00 15.00 H new ATOM 0 HB3 TYR A 383 2.448 -0.615 1.170 1.00 15.00 H new ATOM 0 HD1 TYR A 383 3.246 -2.194 -0.629 1.00 15.00 H new ATOM 0 HD2 TYR A 383 2.908 2.000 -1.304 1.00 15.00 H new ATOM 0 HE1 TYR A 383 4.722 -2.389 -2.581 1.00 15.00 H new ATOM 0 HE2 TYR A 383 4.389 1.807 -3.255 1.00 15.00 H new ATOM 0 HH TYR A 383 5.601 0.471 -4.528 1.00 15.00 H new ATOM 290 N VAL A 384 -0.715 -0.829 2.116 1.00 15.00 N ATOM 291 CA VAL A 384 -1.604 -0.530 3.242 1.00 15.00 C ATOM 292 C VAL A 384 -0.877 -0.644 4.569 1.00 15.00 C ATOM 293 O VAL A 384 -0.504 -1.741 4.982 1.00 15.00 O ATOM 294 CB VAL A 384 -2.798 -1.489 3.303 1.00 15.00 C ATOM 295 CG1 VAL A 384 -4.096 -0.723 3.310 1.00 15.00 C ATOM 296 CG2 VAL A 384 -2.753 -2.469 2.163 1.00 15.00 C ATOM 0 H VAL A 384 -0.476 -1.816 2.018 1.00 15.00 H new ATOM 0 HA VAL A 384 -1.950 0.490 3.077 1.00 15.00 H new ATOM 0 HB VAL A 384 -2.737 -2.054 4.233 1.00 15.00 H new ATOM 0 HG11 VAL A 384 -4.931 -1.422 3.354 1.00 15.00 H new ATOM 0 HG12 VAL A 384 -4.127 -0.067 4.180 1.00 15.00 H new ATOM 0 HG13 VAL A 384 -4.171 -0.125 2.402 1.00 15.00 H new ATOM 0 HG21 VAL A 384 -3.610 -3.140 2.226 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -2.784 -1.928 1.217 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -1.832 -3.050 2.219 1.00 15.00 H new ATOM 306 N ASN A 385 -0.712 0.467 5.262 1.00 15.00 N ATOM 307 CA ASN A 385 0.023 0.459 6.511 1.00 15.00 C ATOM 308 C ASN A 385 -0.920 0.307 7.706 1.00 15.00 C ATOM 309 O ASN A 385 -1.845 1.097 7.849 1.00 15.00 O ATOM 310 CB ASN A 385 0.794 1.762 6.678 1.00 15.00 C ATOM 311 CG ASN A 385 1.578 1.784 7.968 1.00 15.00 C ATOM 312 OD1 ASN A 385 1.769 2.828 8.579 1.00 15.00 O ATOM 313 ND2 ASN A 385 2.043 0.621 8.386 1.00 15.00 N ATOM 0 H ASN A 385 -1.074 1.379 4.984 1.00 15.00 H new ATOM 0 HA ASN A 385 0.709 -0.387 6.479 1.00 15.00 H new ATOM 0 HB2 ASN A 385 1.474 1.893 5.836 1.00 15.00 H new ATOM 0 HB3 ASN A 385 0.099 2.601 6.660 1.00 15.00 H new ATOM 0 HD21 ASN A 385 2.585 0.569 9.249 1.00 15.00 H new ATOM 0 HD22 ASN A 385 1.861 -0.225 7.846 1.00 15.00 H new ATOM 320 N HIS A 386 -0.670 -0.671 8.587 1.00 15.00 N ATOM 321 CA HIS A 386 -1.540 -0.892 9.748 1.00 15.00 C ATOM 322 C HIS A 386 -1.091 -0.022 10.891 1.00 15.00 C ATOM 323 O HIS A 386 -1.787 0.172 11.886 1.00 15.00 O ATOM 324 CB HIS A 386 -1.554 -2.361 10.212 1.00 15.00 C ATOM 325 CG HIS A 386 -1.370 -3.326 9.100 1.00 15.00 C ATOM 326 ND1 HIS A 386 -1.511 -2.938 7.801 1.00 15.00 N ATOM 327 CD2 HIS A 386 -0.905 -4.591 9.067 1.00 15.00 C ATOM 328 CE1 HIS A 386 -1.123 -3.883 7.015 1.00 15.00 C ATOM 329 NE2 HIS A 386 -0.759 -4.915 7.746 1.00 15.00 N ATOM 0 H HIS A 386 0.118 -1.315 8.519 1.00 15.00 H new ATOM 0 HA HIS A 386 -2.553 -0.634 9.439 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -0.765 -2.510 10.949 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -2.500 -2.569 10.712 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -0.690 -5.224 9.916 1.00 15.00 H new ATOM 0 HE1 HIS A 386 -1.100 -3.836 5.936 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.423 -5.809 7.387 1.00 15.00 H new ATOM 338 N ASN A 387 0.102 0.483 10.726 1.00 15.00 N ATOM 339 CA ASN A 387 0.799 1.188 11.755 1.00 15.00 C ATOM 340 C ASN A 387 0.339 2.642 11.810 1.00 15.00 C ATOM 341 O ASN A 387 0.427 3.301 12.845 1.00 15.00 O ATOM 342 CB ASN A 387 2.284 1.059 11.442 1.00 15.00 C ATOM 343 CG ASN A 387 3.176 1.668 12.510 1.00 15.00 C ATOM 344 OD1 ASN A 387 2.823 1.696 13.689 1.00 15.00 O ATOM 345 ND2 ASN A 387 4.338 2.155 12.107 1.00 15.00 N ATOM 0 H ASN A 387 0.623 0.411 9.852 1.00 15.00 H new ATOM 0 HA ASN A 387 0.593 0.773 12.741 1.00 15.00 H new ATOM 0 HB2 ASN A 387 2.534 0.004 11.327 1.00 15.00 H new ATOM 0 HB3 ASN A 387 2.491 1.542 10.487 1.00 15.00 H new ATOM 0 HD21 ASN A 387 4.978 2.573 12.783 1.00 15.00 H new ATOM 0 HD22 ASN A 387 4.594 2.113 11.121 1.00 15.00 H new ATOM 352 N ASN A 388 -0.144 3.136 10.678 1.00 15.00 N ATOM 353 CA ASN A 388 -0.705 4.481 10.595 1.00 15.00 C ATOM 354 C ASN A 388 -2.165 4.429 10.148 1.00 15.00 C ATOM 355 O ASN A 388 -2.885 5.423 10.246 1.00 15.00 O ATOM 356 CB ASN A 388 0.102 5.358 9.631 1.00 15.00 C ATOM 357 CG ASN A 388 -0.268 6.829 9.726 1.00 15.00 C ATOM 358 OD1 ASN A 388 -0.606 7.332 10.800 1.00 15.00 O ATOM 359 ND2 ASN A 388 -0.223 7.528 8.602 1.00 15.00 N ATOM 0 H ASN A 388 -0.159 2.622 9.797 1.00 15.00 H new ATOM 0 HA ASN A 388 -0.653 4.922 11.590 1.00 15.00 H new ATOM 0 HB2 ASN A 388 1.165 5.241 9.843 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -0.060 5.012 8.610 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -0.473 8.517 8.606 1.00 15.00 H new ATOM 0 HD22 ASN A 388 0.062 7.077 7.732 1.00 15.00 H new ATOM 366 N ARG A 389 -2.579 3.267 9.625 1.00 15.00 N ATOM 367 CA ARG A 389 -3.905 3.098 9.022 1.00 15.00 C ATOM 368 C ARG A 389 -3.988 3.875 7.716 1.00 15.00 C ATOM 369 O ARG A 389 -4.621 4.926 7.647 1.00 15.00 O ATOM 370 CB ARG A 389 -5.040 3.534 9.952 1.00 15.00 C ATOM 371 CG ARG A 389 -5.081 2.801 11.279 1.00 15.00 C ATOM 372 CD ARG A 389 -6.245 3.295 12.116 1.00 15.00 C ATOM 373 NE ARG A 389 -6.210 4.750 12.275 1.00 15.00 N ATOM 374 CZ ARG A 389 -6.747 5.412 13.297 1.00 15.00 C ATOM 375 NH1 ARG A 389 -7.393 4.762 14.257 1.00 15.00 N1+ ATOM 376 NH2 ARG A 389 -6.646 6.732 13.346 1.00 15.00 N ATOM 0 H ARG A 389 -2.007 2.423 9.609 1.00 15.00 H new ATOM 0 HA ARG A 389 -4.032 2.032 8.834 1.00 15.00 H new ATOM 0 HB2 ARG A 389 -4.945 4.603 10.144 1.00 15.00 H new ATOM 0 HB3 ARG A 389 -5.990 3.385 9.439 1.00 15.00 H new ATOM 0 HG2 ARG A 389 -5.177 1.729 11.107 1.00 15.00 H new ATOM 0 HG3 ARG A 389 -4.146 2.956 11.817 1.00 15.00 H new ATOM 0 HD2 ARG A 389 -7.184 3.001 11.646 1.00 15.00 H new ATOM 0 HD3 ARG A 389 -6.217 2.820 13.097 1.00 15.00 H new ATOM 0 HE ARG A 389 -5.741 5.295 11.551 1.00 15.00 H new ATOM 0 HH11 ARG A 389 -7.481 3.747 14.215 1.00 15.00 H new ATOM 0 HH12 ARG A 389 -7.801 5.278 15.037 1.00 15.00 H new ATOM 0 HH21 ARG A 389 -6.159 7.234 12.604 1.00 15.00 H new ATOM 0 HH22 ARG A 389 -7.055 7.246 14.126 1.00 15.00 H new ATOM 390 N THR A 390 -3.279 3.404 6.701 1.00 15.00 N ATOM 391 CA THR A 390 -3.145 4.172 5.479 1.00 15.00 C ATOM 392 C THR A 390 -3.205 3.295 4.214 1.00 15.00 C ATOM 393 O THR A 390 -2.786 2.138 4.241 1.00 15.00 O ATOM 394 CB THR A 390 -1.805 4.952 5.524 1.00 15.00 C ATOM 395 OG1 THR A 390 -1.879 5.993 6.505 1.00 15.00 O ATOM 396 CG2 THR A 390 -1.395 5.534 4.173 1.00 15.00 C ATOM 0 H THR A 390 -2.795 2.506 6.701 1.00 15.00 H new ATOM 0 HA THR A 390 -3.989 4.859 5.420 1.00 15.00 H new ATOM 0 HB THR A 390 -1.034 4.231 5.797 1.00 15.00 H new ATOM 0 HG1 THR A 390 -1.303 6.739 6.235 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.449 6.066 4.278 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.279 4.727 3.449 1.00 15.00 H new ATOM 0 HG23 THR A 390 -2.163 6.225 3.826 1.00 15.00 H new ATOM 404 N THR A 391 -3.734 3.857 3.116 1.00 15.00 N ATOM 405 CA THR A 391 -3.755 3.211 1.816 1.00 15.00 C ATOM 406 C THR A 391 -3.215 4.206 0.771 1.00 15.00 C ATOM 407 O THR A 391 -3.799 5.276 0.579 1.00 15.00 O ATOM 408 CB THR A 391 -5.193 2.779 1.456 1.00 15.00 C ATOM 409 OG1 THR A 391 -5.283 2.463 0.070 1.00 15.00 O ATOM 410 CG2 THR A 391 -6.201 3.869 1.803 1.00 15.00 C ATOM 0 H THR A 391 -4.161 4.783 3.117 1.00 15.00 H new ATOM 0 HA THR A 391 -3.131 2.317 1.834 1.00 15.00 H new ATOM 0 HB THR A 391 -5.430 1.892 2.044 1.00 15.00 H new ATOM 0 HG1 THR A 391 -4.928 1.562 -0.084 1.00 15.00 H new ATOM 0 HG21 THR A 391 -7.204 3.535 1.538 1.00 15.00 H new ATOM 0 HG22 THR A 391 -6.159 4.077 2.872 1.00 15.00 H new ATOM 0 HG23 THR A 391 -5.962 4.776 1.247 1.00 15.00 H new ATOM 418 N THR A 392 -2.089 3.901 0.129 1.00 15.00 N ATOM 419 CA THR A 392 -1.403 4.915 -0.659 1.00 15.00 C ATOM 420 C THR A 392 -0.627 4.338 -1.846 1.00 15.00 C ATOM 421 O THR A 392 -0.176 3.191 -1.803 1.00 15.00 O ATOM 422 CB THR A 392 -0.460 5.722 0.250 1.00 15.00 C ATOM 423 OG1 THR A 392 0.049 6.867 -0.444 1.00 15.00 O ATOM 424 CG2 THR A 392 0.696 4.866 0.750 1.00 15.00 C ATOM 0 H THR A 392 -1.644 2.983 0.139 1.00 15.00 H new ATOM 0 HA THR A 392 -2.170 5.564 -1.081 1.00 15.00 H new ATOM 0 HB THR A 392 -1.039 6.054 1.112 1.00 15.00 H new ATOM 0 HG1 THR A 392 0.222 7.588 0.197 1.00 15.00 H new ATOM 0 HG21 THR A 392 1.343 5.466 1.389 1.00 15.00 H new ATOM 0 HG22 THR A 392 0.305 4.023 1.319 1.00 15.00 H new ATOM 0 HG23 THR A 392 1.269 4.495 -0.100 1.00 15.00 H new ATOM 432 N TRP A 393 -0.505 5.136 -2.915 1.00 15.00 N ATOM 433 CA TRP A 393 0.298 4.758 -4.081 1.00 15.00 C ATOM 434 C TRP A 393 1.790 4.903 -3.783 1.00 15.00 C ATOM 435 O TRP A 393 2.631 4.364 -4.504 1.00 15.00 O ATOM 436 CB TRP A 393 0.008 5.650 -5.311 1.00 15.00 C ATOM 437 CG TRP A 393 -1.404 5.667 -5.835 1.00 15.00 C ATOM 438 CD1 TRP A 393 -2.059 6.745 -6.378 1.00 15.00 C ATOM 439 CD2 TRP A 393 -2.323 4.575 -5.906 1.00 15.00 C ATOM 440 NE1 TRP A 393 -3.322 6.385 -6.763 1.00 15.00 N ATOM 441 CE2 TRP A 393 -3.509 5.061 -6.483 1.00 15.00 C ATOM 442 CE3 TRP A 393 -2.261 3.240 -5.532 1.00 15.00 C ATOM 443 CZ2 TRP A 393 -4.618 4.253 -6.695 1.00 15.00 C ATOM 444 CZ3 TRP A 393 -3.366 2.436 -5.744 1.00 15.00 C ATOM 445 CH2 TRP A 393 -4.530 2.945 -6.320 1.00 15.00 C ATOM 0 H TRP A 393 -0.954 6.049 -2.995 1.00 15.00 H new ATOM 0 HA TRP A 393 0.030 3.724 -4.298 1.00 15.00 H new ATOM 0 HB2 TRP A 393 0.286 6.673 -5.059 1.00 15.00 H new ATOM 0 HB3 TRP A 393 0.664 5.332 -6.121 1.00 15.00 H new ATOM 0 HD1 TRP A 393 -1.638 7.734 -6.486 1.00 15.00 H new ATOM 0 HE1 TRP A 393 -4.011 7.004 -7.189 1.00 15.00 H new ATOM 0 HE3 TRP A 393 -1.366 2.836 -5.083 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 -5.519 4.647 -7.141 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 -3.327 1.395 -5.458 1.00 15.00 H new ATOM 0 HH2 TRP A 393 -5.376 2.292 -6.472 1.00 15.00 H new ATOM 456 N THR A 394 2.115 5.670 -2.751 1.00 15.00 N ATOM 457 CA THR A 394 3.497 6.050 -2.500 1.00 15.00 C ATOM 458 C THR A 394 4.230 4.987 -1.684 1.00 15.00 C ATOM 459 O THR A 394 3.623 4.258 -0.895 1.00 15.00 O ATOM 460 CB THR A 394 3.590 7.424 -1.792 1.00 15.00 C ATOM 461 OG1 THR A 394 4.910 7.960 -1.931 1.00 15.00 O ATOM 462 CG2 THR A 394 3.245 7.317 -0.314 1.00 15.00 C ATOM 0 H THR A 394 1.444 6.039 -2.078 1.00 15.00 H new ATOM 0 HA THR A 394 3.983 6.133 -3.472 1.00 15.00 H new ATOM 0 HB THR A 394 2.867 8.088 -2.267 1.00 15.00 H new ATOM 0 HG1 THR A 394 4.959 8.830 -1.482 1.00 15.00 H new ATOM 0 HG21 THR A 394 3.321 8.301 0.150 1.00 15.00 H new ATOM 0 HG22 THR A 394 2.228 6.942 -0.204 1.00 15.00 H new ATOM 0 HG23 THR A 394 3.939 6.632 0.173 1.00 15.00 H new ATOM 470 N ARG A 395 5.534 4.889 -1.903 1.00 15.00 N ATOM 471 CA ARG A 395 6.353 3.928 -1.189 1.00 15.00 C ATOM 472 C ARG A 395 6.501 4.311 0.277 1.00 15.00 C ATOM 473 O ARG A 395 6.636 5.485 0.619 1.00 15.00 O ATOM 474 CB ARG A 395 7.732 3.795 -1.824 1.00 15.00 C ATOM 475 CG ARG A 395 7.770 2.831 -2.997 1.00 15.00 C ATOM 476 CD ARG A 395 9.162 2.250 -3.175 1.00 15.00 C ATOM 477 NE ARG A 395 10.145 3.269 -3.549 1.00 15.00 N ATOM 478 CZ ARG A 395 11.277 3.505 -2.878 1.00 15.00 C ATOM 479 NH1 ARG A 395 11.564 2.809 -1.782 1.00 15.00 N1+ ATOM 480 NH2 ARG A 395 12.118 4.442 -3.307 1.00 15.00 N ATOM 0 H ARG A 395 6.045 5.466 -2.571 1.00 15.00 H new ATOM 0 HA ARG A 395 5.844 2.966 -1.252 1.00 15.00 H new ATOM 0 HB2 ARG A 395 8.064 4.777 -2.161 1.00 15.00 H new ATOM 0 HB3 ARG A 395 8.441 3.461 -1.067 1.00 15.00 H new ATOM 0 HG2 ARG A 395 7.053 2.026 -2.835 1.00 15.00 H new ATOM 0 HG3 ARG A 395 7.468 3.348 -3.908 1.00 15.00 H new ATOM 0 HD2 ARG A 395 9.474 1.770 -2.248 1.00 15.00 H new ATOM 0 HD3 ARG A 395 9.135 1.476 -3.942 1.00 15.00 H new ATOM 0 HE ARG A 395 9.954 3.836 -4.375 1.00 15.00 H new ATOM 0 HH11 ARG A 395 10.919 2.092 -1.450 1.00 15.00 H new ATOM 0 HH12 ARG A 395 12.429 2.992 -1.273 1.00 15.00 H new ATOM 0 HH21 ARG A 395 11.899 4.979 -4.146 1.00 15.00 H new ATOM 0 HH22 ARG A 395 12.982 4.624 -2.797 1.00 15.00 H new ATOM 494 N PRO A 396 6.520 3.302 1.148 1.00 15.00 N ATOM 495 CA PRO A 396 6.598 3.489 2.599 1.00 15.00 C ATOM 496 C PRO A 396 7.948 4.018 3.066 1.00 15.00 C ATOM 497 O PRO A 396 8.988 3.413 2.815 1.00 15.00 O ATOM 498 CB PRO A 396 6.400 2.066 3.142 1.00 15.00 C ATOM 499 CG PRO A 396 5.771 1.319 2.020 1.00 15.00 C ATOM 500 CD PRO A 396 6.399 1.885 0.790 1.00 15.00 C ATOM 0 HA PRO A 396 5.868 4.222 2.942 1.00 15.00 H new ATOM 0 HB2 PRO A 396 7.350 1.617 3.433 1.00 15.00 H new ATOM 0 HB3 PRO A 396 5.762 2.064 4.026 1.00 15.00 H new ATOM 0 HG2 PRO A 396 5.957 0.248 2.103 1.00 15.00 H new ATOM 0 HG3 PRO A 396 4.689 1.454 2.011 1.00 15.00 H new ATOM 0 HD2 PRO A 396 7.367 1.431 0.578 1.00 15.00 H new ATOM 0 HD3 PRO A 396 5.778 1.737 -0.093 1.00 15.00 H new ATOM 508 N ILE A 397 7.911 5.149 3.760 1.00 15.00 N ATOM 509 CA ILE A 397 9.112 5.751 4.334 1.00 15.00 C ATOM 510 C ILE A 397 9.573 4.975 5.565 1.00 15.00 C ATOM 511 O ILE A 397 10.672 5.180 6.071 1.00 15.00 O ATOM 512 CB ILE A 397 8.867 7.220 4.735 1.00 15.00 C ATOM 513 CG1 ILE A 397 7.774 7.310 5.807 1.00 15.00 C ATOM 514 CG2 ILE A 397 8.493 8.042 3.511 1.00 15.00 C ATOM 515 CD1 ILE A 397 7.546 8.711 6.328 1.00 15.00 C ATOM 0 H ILE A 397 7.055 5.673 3.941 1.00 15.00 H new ATOM 0 HA ILE A 397 9.885 5.715 3.567 1.00 15.00 H new ATOM 0 HB ILE A 397 9.787 7.626 5.156 1.00 15.00 H new ATOM 0 HG12 ILE A 397 6.840 6.929 5.394 1.00 15.00 H new ATOM 0 HG13 ILE A 397 8.041 6.661 6.641 1.00 15.00 H new ATOM 0 HG21 ILE A 397 8.322 9.077 3.806 1.00 15.00 H new ATOM 0 HG22 ILE A 397 9.304 8.001 2.784 1.00 15.00 H new ATOM 0 HG23 ILE A 397 7.584 7.638 3.065 1.00 15.00 H new ATOM 0 HD11 ILE A 397 6.759 8.695 7.082 1.00 15.00 H new ATOM 0 HD12 ILE A 397 8.467 9.088 6.772 1.00 15.00 H new ATOM 0 HD13 ILE A 397 7.247 9.361 5.506 1.00 15.00 H new ATOM 527 N MET A 398 8.726 4.048 6.018 1.00 15.00 N ATOM 528 CA MET A 398 8.947 3.315 7.273 1.00 15.00 C ATOM 529 C MET A 398 10.011 2.296 7.182 1.00 15.00 C ATOM 530 O MET A 398 10.485 1.651 8.117 1.00 15.00 O ATOM 531 CB MET A 398 7.662 2.805 7.933 1.00 15.00 C ATOM 532 CG MET A 398 6.563 3.853 8.045 1.00 15.00 C ATOM 533 SD MET A 398 7.077 5.330 8.943 1.00 15.00 S ATOM 534 CE MET A 398 7.390 4.653 10.572 1.00 15.00 C ATOM 0 H MET A 398 7.870 3.783 5.530 1.00 15.00 H new ATOM 0 HA MET A 398 9.330 4.065 7.965 1.00 15.00 H new ATOM 0 HB2 MET A 398 7.284 1.957 7.361 1.00 15.00 H new ATOM 0 HB3 MET A 398 7.900 2.436 8.930 1.00 15.00 H new ATOM 0 HG2 MET A 398 6.239 4.139 7.044 1.00 15.00 H new ATOM 0 HG3 MET A 398 5.700 3.413 8.546 1.00 15.00 H new ATOM 0 HE1 MET A 398 7.490 5.466 11.291 1.00 15.00 H new ATOM 0 HE2 MET A 398 6.560 4.010 10.865 1.00 15.00 H new ATOM 0 HE3 MET A 398 8.311 4.070 10.553 1.00 15.00 H new ATOM 544 N GLN A 399 10.311 2.251 6.017 1.00 15.00 N ATOM 545 CA GLN A 399 11.160 1.251 5.384 1.00 15.00 C ATOM 546 C GLN A 399 12.635 1.573 5.623 1.00 15.00 C ATOM 547 O GLN A 399 13.512 0.740 5.387 1.00 15.00 O ATOM 548 CB GLN A 399 10.860 1.187 3.884 1.00 15.00 C ATOM 549 CG GLN A 399 11.627 0.106 3.140 1.00 15.00 C ATOM 550 CD GLN A 399 11.288 0.063 1.664 1.00 15.00 C ATOM 551 OE1 GLN A 399 12.122 -0.290 0.835 1.00 15.00 O ATOM 552 NE2 GLN A 399 10.060 0.424 1.327 1.00 15.00 N ATOM 0 H GLN A 399 9.974 2.947 5.352 1.00 15.00 H new ATOM 0 HA GLN A 399 10.948 0.278 5.826 1.00 15.00 H new ATOM 0 HB2 GLN A 399 9.792 1.019 3.745 1.00 15.00 H new ATOM 0 HB3 GLN A 399 11.092 2.154 3.437 1.00 15.00 H new ATOM 0 HG2 GLN A 399 12.697 0.278 3.259 1.00 15.00 H new ATOM 0 HG3 GLN A 399 11.408 -0.863 3.588 1.00 15.00 H new ATOM 0 HE21 GLN A 399 9.397 0.711 2.047 1.00 15.00 H new ATOM 0 HE22 GLN A 399 9.777 0.415 0.347 1.00 15.00 H new ATOM 561 N LEU A 400 12.903 2.785 6.086 1.00 15.00 N ATOM 562 CA LEU A 400 14.263 3.205 6.372 1.00 15.00 C ATOM 563 C LEU A 400 14.553 3.063 7.861 1.00 15.00 C ATOM 564 O LEU A 400 15.201 2.067 8.249 1.00 15.00 O ATOM 565 CB LEU A 400 14.484 4.650 5.920 1.00 15.00 C ATOM 566 CG LEU A 400 15.910 5.177 6.096 1.00 15.00 C ATOM 567 CD1 LEU A 400 16.890 4.348 5.279 1.00 15.00 C ATOM 568 CD2 LEU A 400 15.986 6.643 5.699 1.00 15.00 C ATOM 569 OXT LEU A 400 14.101 3.923 8.640 1.00 15.00 O ATOM 0 H LEU A 400 12.194 3.495 6.271 1.00 15.00 H new ATOM 0 HA LEU A 400 14.950 2.564 5.819 1.00 15.00 H new ATOM 0 HB2 LEU A 400 14.211 4.730 4.868 1.00 15.00 H new ATOM 0 HB3 LEU A 400 13.804 5.296 6.476 1.00 15.00 H new ATOM 0 HG LEU A 400 16.184 5.091 7.148 1.00 15.00 H new ATOM 0 HD11 LEU A 400 17.899 4.737 5.416 1.00 15.00 H new ATOM 0 HD12 LEU A 400 16.853 3.310 5.610 1.00 15.00 H new ATOM 0 HD13 LEU A 400 16.621 4.402 4.224 1.00 15.00 H new ATOM 0 HD21 LEU A 400 17.006 7.003 5.830 1.00 15.00 H new ATOM 0 HD22 LEU A 400 15.694 6.753 4.655 1.00 15.00 H new ATOM 0 HD23 LEU A 400 15.312 7.226 6.328 1.00 15.00 H new TER 581 LEU A 400 ATOM 582 N GLU B 178 -6.453 7.859 -13.126 1.00 15.00 N ATOM 583 CA GLU B 178 -6.242 6.932 -11.990 1.00 15.00 C ATOM 584 C GLU B 178 -7.445 6.946 -11.063 1.00 15.00 C ATOM 585 O GLU B 178 -7.799 7.995 -10.531 1.00 15.00 O ATOM 586 CB GLU B 178 -5.010 7.346 -11.168 1.00 15.00 C ATOM 587 CG GLU B 178 -3.756 7.581 -11.988 1.00 15.00 C ATOM 588 CD GLU B 178 -3.336 6.358 -12.761 1.00 15.00 C ATOM 589 OE1 GLU B 178 -2.633 5.503 -12.184 1.00 15.00 O ATOM 590 OE2 GLU B 178 -3.722 6.238 -13.941 1.00 15.00 O1- ATOM 0 HA GLU B 178 -6.095 5.936 -12.407 1.00 15.00 H new ATOM 0 HB2 GLU B 178 -5.245 8.257 -10.618 1.00 15.00 H new ATOM 0 HB3 GLU B 178 -4.805 6.572 -10.429 1.00 15.00 H new ATOM 0 HG2 GLU B 178 -3.928 8.404 -12.682 1.00 15.00 H new ATOM 0 HG3 GLU B 178 -2.945 7.886 -11.327 1.00 15.00 H new HETATM 599 N TPO B 179 -8.090 5.801 -10.870 1.00 15.00 N HETATM 600 CA TPO B 179 -9.034 5.684 -9.774 1.00 15.00 C HETATM 601 CB TPO B 179 -10.142 4.644 -10.046 1.00 15.00 C HETATM 602 CG2 TPO B 179 -11.501 5.175 -9.609 1.00 15.00 C HETATM 603 OG1 TPO B 179 -10.182 4.309 -11.436 1.00 15.00 O HETATM 604 P TPO B 179 -9.149 3.280 -12.135 1.00 15.00 P HETATM 605 O1P TPO B 179 -8.270 2.721 -11.095 1.00 15.00 O HETATM 606 O2P TPO B 179 -8.356 4.038 -13.103 1.00 15.00 O HETATM 607 O3P TPO B 179 -9.898 2.218 -12.795 1.00 15.00 O HETATM 608 C TPO B 179 -8.260 5.263 -8.537 1.00 15.00 C HETATM 609 O TPO B 179 -7.606 4.217 -8.525 1.00 15.00 O HETATM 0 HG23 TPO B 179 -11.480 5.394 -8.542 1.00 15.00 H new HETATM 0 HG22 TPO B 179 -11.731 6.086 -10.162 1.00 15.00 H new HETATM 0 HG21 TPO B 179 -12.266 4.425 -9.810 1.00 15.00 H new HETATM 0 HB TPO B 179 -9.912 3.749 -9.468 1.00 15.00 H new HETATM 0 HA TPO B 179 -9.524 6.649 -9.644 1.00 15.00 H new HETATM 0 H TPO B 179 -8.204 5.226 -11.705 1.00 15.00 H new ATOM 616 N PRO B 180 -8.292 6.092 -7.497 1.00 15.00 N ATOM 617 CA PRO B 180 -7.605 5.852 -6.242 1.00 15.00 C ATOM 618 C PRO B 180 -7.683 4.553 -5.500 1.00 15.00 C ATOM 619 O PRO B 180 -8.422 3.613 -5.806 1.00 15.00 O ATOM 620 CB PRO B 180 -8.227 6.943 -5.389 1.00 15.00 C ATOM 621 CG PRO B 180 -7.867 7.983 -6.293 1.00 15.00 C ATOM 622 CD PRO B 180 -8.633 7.530 -7.524 1.00 15.00 C ATOM 0 HA PRO B 180 -6.537 5.833 -6.461 1.00 15.00 H new ATOM 0 HB2 PRO B 180 -9.302 6.834 -5.244 1.00 15.00 H new ATOM 0 HB3 PRO B 180 -7.780 7.041 -4.400 1.00 15.00 H new ATOM 0 HG2 PRO B 180 -8.181 8.967 -5.944 1.00 15.00 H new ATOM 0 HG3 PRO B 180 -6.792 8.034 -6.465 1.00 15.00 H new ATOM 0 HD2 PRO B 180 -9.705 7.709 -7.442 1.00 15.00 H new ATOM 0 HD3 PRO B 180 -8.296 8.025 -8.435 1.00 15.00 H new ATOM 630 N PRO B 181 -6.813 4.569 -4.480 1.00 15.00 N ATOM 631 CA PRO B 181 -6.542 3.466 -3.567 1.00 15.00 C ATOM 632 C PRO B 181 -7.793 2.835 -2.962 1.00 15.00 C ATOM 633 O PRO B 181 -8.726 3.525 -2.545 1.00 15.00 O ATOM 634 CB PRO B 181 -5.704 4.130 -2.459 1.00 15.00 C ATOM 635 CG PRO B 181 -5.798 5.609 -2.695 1.00 15.00 C ATOM 636 CD PRO B 181 -6.022 5.779 -4.128 1.00 15.00 C ATOM 0 HA PRO B 181 -6.052 2.643 -4.087 1.00 15.00 H new ATOM 0 HB2 PRO B 181 -6.085 3.868 -1.472 1.00 15.00 H new ATOM 0 HB3 PRO B 181 -4.668 3.794 -2.500 1.00 15.00 H new ATOM 0 HG2 PRO B 181 -6.615 6.044 -2.119 1.00 15.00 H new ATOM 0 HG3 PRO B 181 -4.883 6.112 -2.381 1.00 15.00 H new ATOM 0 HD2 PRO B 181 -6.567 6.697 -4.347 1.00 15.00 H new ATOM 0 HD3 PRO B 181 -5.084 5.825 -4.682 1.00 15.00 H new ATOM 644 N PRO B 182 -7.794 1.496 -2.899 1.00 15.00 N ATOM 645 CA PRO B 182 -8.791 0.722 -2.156 1.00 15.00 C ATOM 646 C PRO B 182 -8.604 0.914 -0.653 1.00 15.00 C ATOM 647 O PRO B 182 -7.491 1.173 -0.206 1.00 15.00 O ATOM 648 CB PRO B 182 -8.499 -0.738 -2.538 1.00 15.00 C ATOM 649 CG PRO B 182 -7.535 -0.686 -3.681 1.00 15.00 C ATOM 650 CD PRO B 182 -6.827 0.631 -3.590 1.00 15.00 C ATOM 0 HA PRO B 182 -9.811 1.026 -2.391 1.00 15.00 H new ATOM 0 HB2 PRO B 182 -8.074 -1.283 -1.695 1.00 15.00 H new ATOM 0 HB3 PRO B 182 -9.414 -1.256 -2.824 1.00 15.00 H new ATOM 0 HG2 PRO B 182 -6.825 -1.511 -3.626 1.00 15.00 H new ATOM 0 HG3 PRO B 182 -8.058 -0.779 -4.633 1.00 15.00 H new ATOM 0 HD2 PRO B 182 -5.894 0.547 -3.032 1.00 15.00 H new ATOM 0 HD3 PRO B 182 -6.575 1.020 -4.577 1.00 15.00 H new ATOM 658 N GLY B 183 -9.697 0.816 0.104 1.00 15.00 N ATOM 659 CA GLY B 183 -9.666 1.057 1.547 1.00 15.00 C ATOM 660 C GLY B 183 -8.554 0.319 2.282 1.00 15.00 C ATOM 661 O GLY B 183 -7.936 -0.602 1.750 1.00 15.00 O ATOM 0 H GLY B 183 -10.618 0.571 -0.260 1.00 15.00 H new ATOM 0 HA2 GLY B 183 -9.554 2.127 1.723 1.00 15.00 H new ATOM 0 HA3 GLY B 183 -10.625 0.763 1.973 1.00 15.00 H new ATOM 665 N TYR B 184 -8.330 0.698 3.531 1.00 15.00 N ATOM 666 CA TYR B 184 -7.193 0.201 4.287 1.00 15.00 C ATOM 667 C TYR B 184 -7.514 -1.094 5.062 1.00 15.00 C ATOM 668 O TYR B 184 -8.558 -1.206 5.703 1.00 15.00 O ATOM 669 CB TYR B 184 -6.660 1.306 5.223 1.00 15.00 C ATOM 670 CG TYR B 184 -6.042 0.773 6.491 1.00 15.00 C ATOM 671 CD1 TYR B 184 -4.829 0.108 6.476 1.00 15.00 C ATOM 672 CD2 TYR B 184 -6.700 0.921 7.704 1.00 15.00 C ATOM 673 CE1 TYR B 184 -4.285 -0.391 7.640 1.00 15.00 C ATOM 674 CE2 TYR B 184 -6.162 0.425 8.871 1.00 15.00 C ATOM 675 CZ TYR B 184 -4.954 -0.228 8.835 1.00 15.00 C ATOM 676 OH TYR B 184 -4.405 -0.717 9.994 1.00 15.00 O ATOM 0 H TYR B 184 -8.924 1.351 4.043 1.00 15.00 H new ATOM 0 HA TYR B 184 -6.412 -0.064 3.574 1.00 15.00 H new ATOM 0 HB2 TYR B 184 -5.918 1.898 4.687 1.00 15.00 H new ATOM 0 HB3 TYR B 184 -7.478 1.978 5.481 1.00 15.00 H new ATOM 0 HD1 TYR B 184 -4.302 -0.022 5.542 1.00 15.00 H new ATOM 0 HD2 TYR B 184 -7.650 1.434 7.733 1.00 15.00 H new ATOM 0 HE1 TYR B 184 -3.337 -0.908 7.616 1.00 15.00 H new ATOM 0 HE2 TYR B 184 -6.686 0.549 9.807 1.00 15.00 H new ATOM 0 HH TYR B 184 -5.000 -0.519 10.747 1.00 15.00 H new ATOM 686 N LEU B 185 -6.556 -2.036 5.025 1.00 15.00 N ATOM 687 CA LEU B 185 -6.692 -3.380 5.576 1.00 15.00 C ATOM 688 C LEU B 185 -7.945 -4.096 5.156 1.00 15.00 C ATOM 689 O LEU B 185 -8.869 -4.331 5.938 1.00 15.00 O ATOM 690 CB LEU B 185 -6.481 -3.447 7.080 1.00 15.00 C ATOM 691 CG LEU B 185 -5.042 -3.706 7.478 1.00 15.00 C ATOM 692 CD1 LEU B 185 -4.901 -3.737 8.991 1.00 15.00 C ATOM 693 CD2 LEU B 185 -4.546 -5.009 6.871 1.00 15.00 C ATOM 0 H LEU B 185 -5.644 -1.871 4.598 1.00 15.00 H new ATOM 0 HA LEU B 185 -5.868 -3.929 5.121 1.00 15.00 H new ATOM 0 HB2 LEU B 185 -6.810 -2.509 7.527 1.00 15.00 H new ATOM 0 HB3 LEU B 185 -7.111 -4.235 7.492 1.00 15.00 H new ATOM 0 HG LEU B 185 -4.430 -2.891 7.093 1.00 15.00 H new ATOM 0 HD11 LEU B 185 -3.860 -3.924 9.256 1.00 15.00 H new ATOM 0 HD12 LEU B 185 -5.214 -2.779 9.405 1.00 15.00 H new ATOM 0 HD13 LEU B 185 -5.527 -4.530 9.399 1.00 15.00 H new ATOM 0 HD21 LEU B 185 -3.511 -5.178 7.168 1.00 15.00 H new ATOM 0 HD22 LEU B 185 -5.164 -5.834 7.225 1.00 15.00 H new ATOM 0 HD23 LEU B 185 -4.607 -4.950 5.784 1.00 15.00 H new ATOM 705 N SER B 186 -7.965 -4.374 3.883 1.00 15.00 N ATOM 706 CA SER B 186 -8.760 -5.424 3.331 1.00 15.00 C ATOM 707 C SER B 186 -8.005 -5.906 2.111 1.00 15.00 C ATOM 708 O SER B 186 -8.069 -5.293 1.041 1.00 15.00 O ATOM 709 CB SER B 186 -10.146 -4.892 2.979 1.00 15.00 C ATOM 710 OG SER B 186 -10.897 -5.822 2.213 1.00 15.00 O ATOM 0 H SER B 186 -7.417 -3.865 3.190 1.00 15.00 H new ATOM 0 HA SER B 186 -8.918 -6.246 4.029 1.00 15.00 H new ATOM 0 HB2 SER B 186 -10.687 -4.657 3.896 1.00 15.00 H new ATOM 0 HB3 SER B 186 -10.045 -3.961 2.421 1.00 15.00 H new ATOM 0 HG SER B 186 -11.778 -5.443 2.010 1.00 15.00 H new ATOM 716 N GLU B 187 -7.277 -6.996 2.274 1.00 15.00 N ATOM 717 CA GLU B 187 -6.315 -7.408 1.270 1.00 15.00 C ATOM 718 C GLU B 187 -6.582 -8.853 0.890 1.00 15.00 C ATOM 719 O GLU B 187 -6.322 -9.775 1.665 1.00 15.00 O ATOM 720 CB GLU B 187 -4.868 -7.202 1.786 1.00 15.00 C ATOM 721 CG GLU B 187 -4.630 -5.856 2.458 1.00 15.00 C ATOM 722 CD GLU B 187 -5.057 -4.674 1.615 1.00 15.00 C ATOM 723 OE1 GLU B 187 -4.614 -4.571 0.449 1.00 15.00 O ATOM 724 OE2 GLU B 187 -5.823 -3.828 2.126 1.00 15.00 O1- ATOM 0 H GLU B 187 -7.333 -7.608 3.088 1.00 15.00 H new ATOM 0 HA GLU B 187 -6.424 -6.792 0.378 1.00 15.00 H new ATOM 0 HB2 GLU B 187 -4.630 -7.996 2.494 1.00 15.00 H new ATOM 0 HB3 GLU B 187 -4.178 -7.304 0.949 1.00 15.00 H new ATOM 0 HG2 GLU B 187 -5.171 -5.831 3.404 1.00 15.00 H new ATOM 0 HG3 GLU B 187 -3.570 -5.759 2.694 1.00 15.00 H new ATOM 731 N ASP B 188 -7.145 -9.033 -0.295 1.00 15.00 N ATOM 732 CA ASP B 188 -7.689 -10.321 -0.703 1.00 15.00 C ATOM 733 C ASP B 188 -6.599 -11.352 -0.963 1.00 15.00 C ATOM 734 O ASP B 188 -5.677 -11.123 -1.749 1.00 15.00 O ATOM 735 CB ASP B 188 -8.558 -10.161 -1.949 1.00 15.00 C ATOM 736 CG ASP B 188 -9.263 -11.450 -2.322 1.00 15.00 C ATOM 737 OD1 ASP B 188 -10.177 -11.867 -1.577 1.00 15.00 O ATOM 738 OD2 ASP B 188 -8.920 -12.044 -3.361 1.00 15.00 O1- ATOM 0 H ASP B 188 -7.238 -8.298 -0.996 1.00 15.00 H new ATOM 0 HA ASP B 188 -8.298 -10.686 0.124 1.00 15.00 H new ATOM 0 HB2 ASP B 188 -9.299 -9.380 -1.776 1.00 15.00 H new ATOM 0 HB3 ASP B 188 -7.938 -9.833 -2.783 1.00 15.00 H new ATOM 743 N GLY B 189 -6.728 -12.486 -0.296 1.00 15.00 N ATOM 744 CA GLY B 189 -5.826 -13.595 -0.495 1.00 15.00 C ATOM 745 C GLY B 189 -6.296 -14.805 0.278 1.00 15.00 C ATOM 746 O GLY B 189 -6.073 -15.945 -0.175 1.00 15.00 O ATOM 747 OXT GLY B 189 -6.917 -14.615 1.345 1.00 15.00 O ATOM 0 H GLY B 189 -7.459 -12.658 0.394 1.00 15.00 H new ATOM 0 HA2 GLY B 189 -5.765 -13.836 -1.556 1.00 15.00 H new ATOM 0 HA3 GLY B 189 -4.822 -13.317 -0.173 1.00 15.00 H new TER 751 GLY B 189