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 392 THR OG1 : rot -134:sc= 1.23 USER MOD Set 1.2: A 394 THR OG1 : rot 180:sc= 0.976 USER MOD Set 2.1: A 388 ASN : amide:sc= 1.15 K(o=2.1,f=0.71) USER MOD Set 2.2: A 390 THR OG1 : rot -140:sc= 0.977 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ -145:sc= -2.27! (180deg=-4.35!) USER MOD Single : A 378 LYS NZ :NH3+ -144:sc= 1.08 (180deg=-0.0293) USER MOD Single : A 381 THR OG1 : rot 28:sc= 0.183 USER MOD Single : A 382 TYR OH : rot 85:sc= 2.3 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 385 ASN : amide:sc= -8.63! C(o=-8.6!,f=-6.5!) USER MOD Single : A 386 HIS : no HD1:sc= -8.76! C(o=-8.8!,f=-15!) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 391 THR OG1 : rot 88:sc= 1.22 USER MOD Single : A 398 MET CE :methyl -166:sc= -0.014 (180deg=-0.266) USER MOD Single : A 399 GLN : amide:sc= -0.569 K(o=-0.57,f=0) USER MOD Single : B 184 TYR OH : rot -150:sc= -0.9 USER MOD Single : B 186 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 366 11.918 -1.086 -1.805 1.00 15.00 N ATOM 2 CA GLY A 366 11.733 -2.246 -0.961 1.00 15.00 C ATOM 3 C GLY A 366 10.362 -2.284 -0.323 1.00 15.00 C ATOM 4 O GLY A 366 9.754 -1.238 -0.092 1.00 15.00 O ATOM 0 HA2 GLY A 366 11.880 -3.149 -1.553 1.00 15.00 H new ATOM 0 HA3 GLY A 366 12.494 -2.249 -0.181 1.00 15.00 H new ATOM 8 N LEU A 367 9.862 -3.482 -0.065 1.00 15.00 N ATOM 9 CA LEU A 367 8.587 -3.644 0.617 1.00 15.00 C ATOM 10 C LEU A 367 8.845 -3.852 2.108 1.00 15.00 C ATOM 11 O LEU A 367 9.694 -4.660 2.488 1.00 15.00 O ATOM 12 CB LEU A 367 7.811 -4.835 0.028 1.00 15.00 C ATOM 13 CG LEU A 367 6.323 -4.903 0.374 1.00 15.00 C ATOM 14 CD1 LEU A 367 5.608 -5.802 -0.606 1.00 15.00 C ATOM 15 CD2 LEU A 367 6.094 -5.416 1.785 1.00 15.00 C ATOM 0 H LEU A 367 10.320 -4.358 -0.318 1.00 15.00 H new ATOM 0 HA LEU A 367 7.981 -2.749 0.477 1.00 15.00 H new ATOM 0 HB2 LEU A 367 7.910 -4.807 -1.057 1.00 15.00 H new ATOM 0 HB3 LEU A 367 8.285 -5.756 0.368 1.00 15.00 H new ATOM 0 HG LEU A 367 5.925 -3.890 0.313 1.00 15.00 H new ATOM 0 HD11 LEU A 367 4.549 -5.846 -0.353 1.00 15.00 H new ATOM 0 HD12 LEU A 367 5.725 -5.406 -1.615 1.00 15.00 H new ATOM 0 HD13 LEU A 367 6.034 -6.804 -0.558 1.00 15.00 H new ATOM 0 HD21 LEU A 367 5.024 -5.449 1.991 1.00 15.00 H new ATOM 0 HD22 LEU A 367 6.513 -6.418 1.880 1.00 15.00 H new ATOM 0 HD23 LEU A 367 6.580 -4.750 2.498 1.00 15.00 H new ATOM 27 N PRO A 368 8.122 -3.128 2.974 1.00 15.00 N ATOM 28 CA PRO A 368 8.257 -3.261 4.406 1.00 15.00 C ATOM 29 C PRO A 368 7.313 -4.326 4.956 1.00 15.00 C ATOM 30 O PRO A 368 6.091 -4.236 4.824 1.00 15.00 O ATOM 31 CB PRO A 368 7.844 -1.885 4.909 1.00 15.00 C ATOM 32 CG PRO A 368 6.796 -1.459 3.943 1.00 15.00 C ATOM 33 CD PRO A 368 7.169 -2.076 2.621 1.00 15.00 C ATOM 0 HA PRO A 368 9.258 -3.564 4.712 1.00 15.00 H new ATOM 0 HB2 PRO A 368 7.457 -1.930 5.927 1.00 15.00 H new ATOM 0 HB3 PRO A 368 8.686 -1.192 4.919 1.00 15.00 H new ATOM 0 HG2 PRO A 368 5.810 -1.794 4.265 1.00 15.00 H new ATOM 0 HG3 PRO A 368 6.754 -0.372 3.868 1.00 15.00 H new ATOM 0 HD2 PRO A 368 6.296 -2.484 2.111 1.00 15.00 H new ATOM 0 HD3 PRO A 368 7.616 -1.342 1.951 1.00 15.00 H new ATOM 41 N SER A 369 7.891 -5.330 5.568 1.00 15.00 N ATOM 42 CA SER A 369 7.129 -6.440 6.100 1.00 15.00 C ATOM 43 C SER A 369 6.304 -5.982 7.306 1.00 15.00 C ATOM 44 O SER A 369 6.858 -5.663 8.361 1.00 15.00 O ATOM 45 CB SER A 369 8.091 -7.542 6.527 1.00 15.00 C ATOM 46 OG SER A 369 8.967 -7.894 5.466 1.00 15.00 O ATOM 0 H SER A 369 8.898 -5.404 5.713 1.00 15.00 H new ATOM 0 HA SER A 369 6.451 -6.815 5.333 1.00 15.00 H new ATOM 0 HB2 SER A 369 8.672 -7.209 7.387 1.00 15.00 H new ATOM 0 HB3 SER A 369 7.527 -8.419 6.843 1.00 15.00 H new ATOM 0 HG SER A 369 9.575 -8.602 5.765 1.00 15.00 H new ATOM 52 N GLY A 370 4.986 -5.915 7.140 1.00 15.00 N ATOM 53 CA GLY A 370 4.134 -5.408 8.187 1.00 15.00 C ATOM 54 C GLY A 370 2.831 -4.909 7.616 1.00 15.00 C ATOM 55 O GLY A 370 1.789 -4.984 8.258 1.00 15.00 O ATOM 0 H GLY A 370 4.497 -6.205 6.293 1.00 15.00 H new ATOM 0 HA2 GLY A 370 3.940 -6.193 8.918 1.00 15.00 H new ATOM 0 HA3 GLY A 370 4.639 -4.599 8.715 1.00 15.00 H new ATOM 59 N TRP A 371 2.902 -4.367 6.408 1.00 15.00 N ATOM 60 CA TRP A 371 1.714 -4.013 5.660 1.00 15.00 C ATOM 61 C TRP A 371 1.264 -5.219 4.865 1.00 15.00 C ATOM 62 O TRP A 371 1.955 -6.240 4.822 1.00 15.00 O ATOM 63 CB TRP A 371 1.976 -2.887 4.652 1.00 15.00 C ATOM 64 CG TRP A 371 2.854 -1.768 5.112 1.00 15.00 C ATOM 65 CD1 TRP A 371 3.737 -1.785 6.133 1.00 15.00 C ATOM 66 CD2 TRP A 371 2.919 -0.457 4.550 1.00 15.00 C ATOM 67 NE1 TRP A 371 4.402 -0.601 6.203 1.00 15.00 N ATOM 68 CE2 TRP A 371 3.901 0.250 5.255 1.00 15.00 C ATOM 69 CE3 TRP A 371 2.244 0.178 3.513 1.00 15.00 C ATOM 70 CZ2 TRP A 371 4.230 1.572 4.957 1.00 15.00 C ATOM 71 CZ3 TRP A 371 2.555 1.495 3.217 1.00 15.00 C ATOM 72 CH2 TRP A 371 3.542 2.181 3.940 1.00 15.00 C ATOM 0 H TRP A 371 3.778 -4.164 5.927 1.00 15.00 H new ATOM 0 HA TRP A 371 0.965 -3.681 6.379 1.00 15.00 H new ATOM 0 HB2 TRP A 371 2.423 -3.326 3.760 1.00 15.00 H new ATOM 0 HB3 TRP A 371 1.016 -2.466 4.354 1.00 15.00 H new ATOM 0 HD1 TRP A 371 3.893 -2.620 6.800 1.00 15.00 H new ATOM 0 HE1 TRP A 371 5.154 -0.382 6.857 1.00 15.00 H new ATOM 0 HE3 TRP A 371 1.489 -0.348 2.947 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 4.998 2.096 5.507 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 2.031 2.000 2.419 1.00 15.00 H new ATOM 0 HH2 TRP A 371 3.764 3.208 3.691 1.00 15.00 H new ATOM 83 N GLU A 372 0.119 -5.102 4.229 1.00 15.00 N ATOM 84 CA GLU A 372 -0.244 -6.042 3.202 1.00 15.00 C ATOM 85 C GLU A 372 -0.272 -5.252 1.913 1.00 15.00 C ATOM 86 O GLU A 372 -1.020 -4.291 1.807 1.00 15.00 O ATOM 87 CB GLU A 372 -1.606 -6.729 3.464 1.00 15.00 C ATOM 88 CG GLU A 372 -1.885 -7.048 4.925 1.00 15.00 C ATOM 89 CD GLU A 372 -0.822 -7.914 5.562 1.00 15.00 C ATOM 90 OE1 GLU A 372 -0.539 -9.006 5.032 1.00 15.00 O1- ATOM 91 OE2 GLU A 372 -0.271 -7.506 6.607 1.00 15.00 O ATOM 0 H GLU A 372 -0.569 -4.370 4.406 1.00 15.00 H new ATOM 0 HA GLU A 372 0.477 -6.859 3.168 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -2.401 -6.085 3.088 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -1.648 -7.654 2.890 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -1.967 -6.116 5.484 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.848 -7.552 5.002 1.00 15.00 H new ATOM 98 N GLU A 373 0.605 -5.568 0.978 1.00 15.00 N ATOM 99 CA GLU A 373 0.653 -4.806 -0.247 1.00 15.00 C ATOM 100 C GLU A 373 -0.036 -5.546 -1.363 1.00 15.00 C ATOM 101 O GLU A 373 -0.014 -6.778 -1.426 1.00 15.00 O ATOM 102 CB GLU A 373 2.078 -4.515 -0.655 1.00 15.00 C ATOM 103 CG GLU A 373 3.003 -4.193 0.495 1.00 15.00 C ATOM 104 CD GLU A 373 2.658 -2.940 1.278 1.00 15.00 C ATOM 105 OE1 GLU A 373 1.469 -2.710 1.571 1.00 15.00 O1- ATOM 106 OE2 GLU A 373 3.597 -2.181 1.608 1.00 15.00 O ATOM 0 H GLU A 373 1.279 -6.331 1.043 1.00 15.00 H new ATOM 0 HA GLU A 373 0.137 -3.864 -0.062 1.00 15.00 H new ATOM 0 HB2 GLU A 373 2.473 -5.377 -1.192 1.00 15.00 H new ATOM 0 HB3 GLU A 373 2.080 -3.677 -1.352 1.00 15.00 H new ATOM 0 HG2 GLU A 373 3.009 -5.040 1.182 1.00 15.00 H new ATOM 0 HG3 GLU A 373 4.016 -4.090 0.106 1.00 15.00 H new ATOM 113 N ARG A 374 -0.584 -4.782 -2.276 1.00 15.00 N ATOM 114 CA ARG A 374 -1.374 -5.344 -3.364 1.00 15.00 C ATOM 115 C ARG A 374 -1.158 -4.592 -4.665 1.00 15.00 C ATOM 116 O ARG A 374 -1.220 -3.361 -4.714 1.00 15.00 O ATOM 117 CB ARG A 374 -2.871 -5.357 -3.031 1.00 15.00 C ATOM 118 CG ARG A 374 -3.272 -6.463 -2.073 1.00 15.00 C ATOM 119 CD ARG A 374 -4.766 -6.726 -2.114 1.00 15.00 C ATOM 120 NE ARG A 374 -5.556 -5.586 -1.663 1.00 15.00 N ATOM 121 CZ ARG A 374 -6.779 -5.310 -2.110 1.00 15.00 C ATOM 122 NH1 ARG A 374 -7.388 -6.142 -2.948 1.00 15.00 N1+ ATOM 123 NH2 ARG A 374 -7.416 -4.226 -1.694 1.00 15.00 N ATOM 0 H ARG A 374 -0.502 -3.765 -2.294 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.031 -6.371 -3.490 1.00 15.00 H new ATOM 0 HB2 ARG A 374 -3.146 -4.395 -2.598 1.00 15.00 H new ATOM 0 HB3 ARG A 374 -3.439 -5.465 -3.955 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -2.734 -7.377 -2.326 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -2.978 -6.191 -1.059 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -5.057 -6.983 -3.133 1.00 15.00 H new ATOM 0 HD3 ARG A 374 -4.995 -7.590 -1.490 1.00 15.00 H new ATOM 0 HE ARG A 374 -5.148 -4.964 -0.965 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -6.918 -6.995 -3.251 1.00 15.00 H new ATOM 0 HH12 ARG A 374 -8.325 -5.927 -3.289 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -6.970 -3.597 -1.027 1.00 15.00 H new ATOM 0 HH22 ARG A 374 -8.353 -4.021 -2.041 1.00 15.00 H new ATOM 137 N LYS A 375 -0.914 -5.346 -5.720 1.00 15.00 N ATOM 138 CA LYS A 375 -0.841 -4.798 -7.057 1.00 15.00 C ATOM 139 C LYS A 375 -2.143 -5.106 -7.791 1.00 15.00 C ATOM 140 O LYS A 375 -2.402 -6.259 -8.139 1.00 15.00 O ATOM 141 CB LYS A 375 0.352 -5.402 -7.799 1.00 15.00 C ATOM 142 CG LYS A 375 0.388 -5.069 -9.284 1.00 15.00 C ATOM 143 CD LYS A 375 1.446 -5.869 -10.028 1.00 15.00 C ATOM 144 CE LYS A 375 1.024 -7.318 -10.262 1.00 15.00 C ATOM 145 NZ LYS A 375 1.011 -8.126 -9.011 1.00 15.00 N1+ ATOM 0 H LYS A 375 -0.761 -6.353 -5.672 1.00 15.00 H new ATOM 0 HA LYS A 375 -0.704 -3.718 -7.010 1.00 15.00 H new ATOM 0 HB2 LYS A 375 1.273 -5.048 -7.335 1.00 15.00 H new ATOM 0 HB3 LYS A 375 0.331 -6.485 -7.680 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -0.590 -5.267 -9.723 1.00 15.00 H new ATOM 0 HG3 LYS A 375 0.584 -4.004 -9.411 1.00 15.00 H new ATOM 0 HD2 LYS A 375 1.649 -5.393 -10.987 1.00 15.00 H new ATOM 0 HD3 LYS A 375 2.376 -5.852 -9.460 1.00 15.00 H new ATOM 0 HE2 LYS A 375 0.030 -7.334 -10.710 1.00 15.00 H new ATOM 0 HE3 LYS A 375 1.704 -7.778 -10.979 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 1.307 -9.100 -9.224 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 1.667 -7.708 -8.321 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 0.050 -8.135 -8.614 1.00 15.00 H new ATOM 159 N ASP A 376 -2.976 -4.093 -8.002 1.00 15.00 N ATOM 160 CA ASP A 376 -4.285 -4.321 -8.589 1.00 15.00 C ATOM 161 C ASP A 376 -4.203 -4.220 -10.112 1.00 15.00 C ATOM 162 O ASP A 376 -3.575 -3.297 -10.648 1.00 15.00 O ATOM 163 CB ASP A 376 -5.303 -3.316 -8.050 1.00 15.00 C ATOM 164 CG ASP A 376 -6.731 -3.740 -8.345 1.00 15.00 C ATOM 165 OD1 ASP A 376 -7.121 -3.754 -9.531 1.00 15.00 O ATOM 166 OD2 ASP A 376 -7.473 -4.055 -7.390 1.00 15.00 O1- ATOM 0 H ASP A 376 -2.770 -3.120 -7.778 1.00 15.00 H new ATOM 0 HA ASP A 376 -4.614 -5.324 -8.316 1.00 15.00 H new ATOM 0 HB2 ASP A 376 -5.172 -3.209 -6.973 1.00 15.00 H new ATOM 0 HB3 ASP A 376 -5.116 -2.338 -8.493 1.00 15.00 H new ATOM 171 N ALA A 377 -4.884 -5.139 -10.805 1.00 15.00 N ATOM 172 CA ALA A 377 -4.788 -5.260 -12.253 1.00 15.00 C ATOM 173 C ALA A 377 -5.443 -4.084 -12.971 1.00 15.00 C ATOM 174 O ALA A 377 -5.400 -3.997 -14.200 1.00 15.00 O ATOM 175 CB ALA A 377 -5.416 -6.570 -12.707 1.00 15.00 C ATOM 0 H ALA A 377 -5.514 -5.815 -10.374 1.00 15.00 H new ATOM 0 HA ALA A 377 -3.730 -5.252 -12.516 1.00 15.00 H new ATOM 0 HB1 ALA A 377 -5.340 -6.653 -13.791 1.00 15.00 H new ATOM 0 HB2 ALA A 377 -4.892 -7.405 -12.242 1.00 15.00 H new ATOM 0 HB3 ALA A 377 -6.466 -6.591 -12.414 1.00 15.00 H new ATOM 181 N LYS A 378 -6.047 -3.175 -12.213 1.00 15.00 N ATOM 182 CA LYS A 378 -6.637 -1.978 -12.799 1.00 15.00 C ATOM 183 C LYS A 378 -5.558 -0.929 -13.076 1.00 15.00 C ATOM 184 O LYS A 378 -5.854 0.195 -13.470 1.00 15.00 O ATOM 185 CB LYS A 378 -7.743 -1.421 -11.892 1.00 15.00 C ATOM 186 CG LYS A 378 -7.254 -0.776 -10.607 1.00 15.00 C ATOM 187 CD LYS A 378 -8.353 -0.775 -9.553 1.00 15.00 C ATOM 188 CE LYS A 378 -8.097 0.242 -8.457 1.00 15.00 C ATOM 189 NZ LYS A 378 -8.546 1.599 -8.860 1.00 15.00 N1+ ATOM 0 H LYS A 378 -6.140 -3.243 -11.200 1.00 15.00 H new ATOM 0 HA LYS A 378 -7.094 -2.245 -13.752 1.00 15.00 H new ATOM 0 HB2 LYS A 378 -8.317 -0.685 -12.455 1.00 15.00 H new ATOM 0 HB3 LYS A 378 -8.426 -2.231 -11.637 1.00 15.00 H new ATOM 0 HG2 LYS A 378 -6.384 -1.315 -10.232 1.00 15.00 H new ATOM 0 HG3 LYS A 378 -6.934 0.247 -10.807 1.00 15.00 H new ATOM 0 HD2 LYS A 378 -9.310 -0.560 -10.029 1.00 15.00 H new ATOM 0 HD3 LYS A 378 -8.432 -1.769 -9.112 1.00 15.00 H new ATOM 0 HE2 LYS A 378 -8.619 -0.061 -7.549 1.00 15.00 H new ATOM 0 HE3 LYS A 378 -7.033 0.264 -8.221 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 -7.892 2.310 -8.475 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 -8.559 1.666 -9.898 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 -9.502 1.772 -8.490 1.00 15.00 H new ATOM 203 N GLY A 379 -4.298 -1.329 -12.902 1.00 15.00 N ATOM 204 CA GLY A 379 -3.177 -0.487 -13.282 1.00 15.00 C ATOM 205 C GLY A 379 -2.698 0.429 -12.175 1.00 15.00 C ATOM 206 O GLY A 379 -2.073 1.456 -12.440 1.00 15.00 O ATOM 0 H GLY A 379 -4.034 -2.229 -12.501 1.00 15.00 H new ATOM 0 HA2 GLY A 379 -2.349 -1.121 -13.600 1.00 15.00 H new ATOM 0 HA3 GLY A 379 -3.464 0.117 -14.142 1.00 15.00 H new ATOM 210 N ARG A 380 -2.953 0.048 -10.933 1.00 15.00 N ATOM 211 CA ARG A 380 -2.515 0.837 -9.789 1.00 15.00 C ATOM 212 C ARG A 380 -2.101 -0.051 -8.610 1.00 15.00 C ATOM 213 O ARG A 380 -2.918 -0.784 -8.054 1.00 15.00 O ATOM 214 CB ARG A 380 -3.596 1.849 -9.374 1.00 15.00 C ATOM 215 CG ARG A 380 -3.455 3.200 -10.069 1.00 15.00 C ATOM 216 CD ARG A 380 -4.793 3.817 -10.472 1.00 15.00 C ATOM 217 NE ARG A 380 -5.299 3.244 -11.732 1.00 15.00 N ATOM 218 CZ ARG A 380 -4.686 3.360 -12.919 1.00 15.00 C ATOM 219 NH1 ARG A 380 -3.545 4.023 -13.033 1.00 15.00 N1+ ATOM 220 NH2 ARG A 380 -5.225 2.823 -13.999 1.00 15.00 N ATOM 0 H ARG A 380 -3.461 -0.803 -10.690 1.00 15.00 H new ATOM 0 HA ARG A 380 -1.630 1.395 -10.095 1.00 15.00 H new ATOM 0 HB2 ARG A 380 -4.578 1.433 -9.598 1.00 15.00 H new ATOM 0 HB3 ARG A 380 -3.551 1.997 -8.295 1.00 15.00 H new ATOM 0 HG2 ARG A 380 -2.931 3.888 -9.406 1.00 15.00 H new ATOM 0 HG3 ARG A 380 -2.836 3.080 -10.958 1.00 15.00 H new ATOM 0 HD2 ARG A 380 -5.523 3.654 -9.679 1.00 15.00 H new ATOM 0 HD3 ARG A 380 -4.678 4.895 -10.583 1.00 15.00 H new ATOM 0 HE ARG A 380 -6.176 2.724 -11.699 1.00 15.00 H new ATOM 0 HH11 ARG A 380 -3.121 4.454 -12.211 1.00 15.00 H new ATOM 0 HH12 ARG A 380 -3.090 4.103 -13.943 1.00 15.00 H new ATOM 0 HH21 ARG A 380 -6.109 2.319 -13.931 1.00 15.00 H new ATOM 0 HH22 ARG A 380 -4.757 2.912 -14.901 1.00 15.00 H new ATOM 234 N THR A 381 -0.816 0.009 -8.254 1.00 15.00 N ATOM 235 CA THR A 381 -0.286 -0.723 -7.115 1.00 15.00 C ATOM 236 C THR A 381 -0.387 0.132 -5.863 1.00 15.00 C ATOM 237 O THR A 381 -0.064 1.321 -5.909 1.00 15.00 O ATOM 238 CB THR A 381 1.199 -1.062 -7.349 1.00 15.00 C ATOM 239 OG1 THR A 381 1.947 0.154 -7.491 1.00 15.00 O ATOM 240 CG2 THR A 381 1.379 -1.907 -8.598 1.00 15.00 C ATOM 0 H THR A 381 -0.120 0.566 -8.749 1.00 15.00 H new ATOM 0 HA THR A 381 -0.863 -1.640 -6.994 1.00 15.00 H new ATOM 0 HB THR A 381 1.559 -1.631 -6.492 1.00 15.00 H new ATOM 0 HG1 THR A 381 1.500 0.873 -6.997 1.00 15.00 H new ATOM 0 HG21 THR A 381 2.437 -2.130 -8.737 1.00 15.00 H new ATOM 0 HG22 THR A 381 0.823 -2.838 -8.491 1.00 15.00 H new ATOM 0 HG23 THR A 381 1.007 -1.360 -9.464 1.00 15.00 H new ATOM 248 N TYR A 382 -0.818 -0.443 -4.747 1.00 15.00 N ATOM 249 CA TYR A 382 -0.930 0.344 -3.533 1.00 15.00 C ATOM 250 C TYR A 382 -0.482 -0.457 -2.318 1.00 15.00 C ATOM 251 O TYR A 382 -0.609 -1.683 -2.279 1.00 15.00 O ATOM 252 CB TYR A 382 -2.356 0.871 -3.352 1.00 15.00 C ATOM 253 CG TYR A 382 -3.298 -0.015 -2.572 1.00 15.00 C ATOM 254 CD1 TYR A 382 -3.713 -1.260 -3.035 1.00 15.00 C ATOM 255 CD2 TYR A 382 -3.790 0.429 -1.360 1.00 15.00 C ATOM 256 CE1 TYR A 382 -4.594 -2.031 -2.296 1.00 15.00 C ATOM 257 CE2 TYR A 382 -4.661 -0.327 -0.619 1.00 15.00 C ATOM 258 CZ TYR A 382 -5.064 -1.559 -1.087 1.00 15.00 C ATOM 259 OH TYR A 382 -5.954 -2.310 -0.351 1.00 15.00 O ATOM 0 H TYR A 382 -1.088 -1.423 -4.660 1.00 15.00 H new ATOM 0 HA TYR A 382 -0.266 1.203 -3.627 1.00 15.00 H new ATOM 0 HB2 TYR A 382 -2.303 1.839 -2.853 1.00 15.00 H new ATOM 0 HB3 TYR A 382 -2.786 1.044 -4.339 1.00 15.00 H new ATOM 0 HD1 TYR A 382 -3.344 -1.629 -3.981 1.00 15.00 H new ATOM 0 HD2 TYR A 382 -3.481 1.395 -0.987 1.00 15.00 H new ATOM 0 HE1 TYR A 382 -4.912 -2.996 -2.663 1.00 15.00 H new ATOM 0 HE2 TYR A 382 -5.030 0.041 0.327 1.00 15.00 H new ATOM 0 HH TYR A 382 -5.462 -2.953 0.200 1.00 15.00 H new ATOM 269 N TYR A 383 0.036 0.256 -1.334 1.00 15.00 N ATOM 270 CA TYR A 383 0.576 -0.348 -0.126 1.00 15.00 C ATOM 271 C TYR A 383 -0.282 0.053 1.079 1.00 15.00 C ATOM 272 O TYR A 383 -0.579 1.240 1.259 1.00 15.00 O ATOM 273 CB TYR A 383 2.024 0.125 0.055 1.00 15.00 C ATOM 274 CG TYR A 383 2.893 -0.090 -1.171 1.00 15.00 C ATOM 275 CD1 TYR A 383 3.544 -1.300 -1.391 1.00 15.00 C ATOM 276 CD2 TYR A 383 3.056 0.918 -2.115 1.00 15.00 C ATOM 277 CE1 TYR A 383 4.329 -1.496 -2.508 1.00 15.00 C ATOM 278 CE2 TYR A 383 3.840 0.727 -3.236 1.00 15.00 C ATOM 279 CZ TYR A 383 4.474 -0.482 -3.428 1.00 15.00 C ATOM 280 OH TYR A 383 5.254 -0.679 -4.545 1.00 15.00 O ATOM 0 H TYR A 383 0.095 1.274 -1.349 1.00 15.00 H new ATOM 0 HA TYR A 383 0.562 -1.435 -0.207 1.00 15.00 H new ATOM 0 HB2 TYR A 383 2.022 1.186 0.307 1.00 15.00 H new ATOM 0 HB3 TYR A 383 2.466 -0.402 0.900 1.00 15.00 H new ATOM 0 HD1 TYR A 383 3.433 -2.100 -0.674 1.00 15.00 H new ATOM 0 HD2 TYR A 383 2.561 1.867 -1.969 1.00 15.00 H new ATOM 0 HE1 TYR A 383 4.828 -2.442 -2.660 1.00 15.00 H new ATOM 0 HE2 TYR A 383 3.956 1.521 -3.959 1.00 15.00 H new ATOM 0 HH TYR A 383 5.251 0.133 -5.093 1.00 15.00 H new ATOM 290 N VAL A 384 -0.693 -0.921 1.900 1.00 15.00 N ATOM 291 CA VAL A 384 -1.634 -0.638 2.990 1.00 15.00 C ATOM 292 C VAL A 384 -0.988 -0.792 4.360 1.00 15.00 C ATOM 293 O VAL A 384 -0.816 -1.906 4.858 1.00 15.00 O ATOM 294 CB VAL A 384 -2.846 -1.570 2.938 1.00 15.00 C ATOM 295 CG1 VAL A 384 -4.113 -0.812 3.248 1.00 15.00 C ATOM 296 CG2 VAL A 384 -2.927 -2.233 1.596 1.00 15.00 C ATOM 0 H VAL A 384 -0.396 -1.894 1.833 1.00 15.00 H new ATOM 0 HA VAL A 384 -1.947 0.397 2.849 1.00 15.00 H new ATOM 0 HB VAL A 384 -2.728 -2.344 3.696 1.00 15.00 H new ATOM 0 HG11 VAL A 384 -4.964 -1.492 3.206 1.00 15.00 H new ATOM 0 HG12 VAL A 384 -4.043 -0.379 4.246 1.00 15.00 H new ATOM 0 HG13 VAL A 384 -4.249 -0.016 2.516 1.00 15.00 H new ATOM 0 HG21 VAL A 384 -3.793 -2.894 1.569 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -3.026 -1.474 0.820 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -2.021 -2.814 1.422 1.00 15.00 H new ATOM 306 N ASN A 385 -0.686 0.321 5.004 1.00 15.00 N ATOM 307 CA ASN A 385 0.087 0.279 6.226 1.00 15.00 C ATOM 308 C ASN A 385 -0.795 0.150 7.467 1.00 15.00 C ATOM 309 O ASN A 385 -1.695 0.960 7.661 1.00 15.00 O ATOM 310 CB ASN A 385 0.917 1.542 6.382 1.00 15.00 C ATOM 311 CG ASN A 385 1.824 1.414 7.574 1.00 15.00 C ATOM 312 OD1 ASN A 385 2.157 2.389 8.235 1.00 15.00 O ATOM 313 ND2 ASN A 385 2.226 0.184 7.845 1.00 15.00 N ATOM 0 H ASN A 385 -0.962 1.255 4.703 1.00 15.00 H new ATOM 0 HA ASN A 385 0.727 -0.600 6.147 1.00 15.00 H new ATOM 0 HB2 ASN A 385 1.507 1.713 5.482 1.00 15.00 H new ATOM 0 HB3 ASN A 385 0.262 2.405 6.503 1.00 15.00 H new ATOM 0 HD21 ASN A 385 2.844 0.013 8.638 1.00 15.00 H new ATOM 0 HD22 ASN A 385 1.918 -0.593 7.261 1.00 15.00 H new ATOM 320 N HIS A 386 -0.509 -0.827 8.344 1.00 15.00 N ATOM 321 CA HIS A 386 -1.296 -0.991 9.567 1.00 15.00 C ATOM 322 C HIS A 386 -0.713 -0.131 10.663 1.00 15.00 C ATOM 323 O HIS A 386 -1.339 0.122 11.681 1.00 15.00 O ATOM 324 CB HIS A 386 -1.349 -2.448 10.070 1.00 15.00 C ATOM 325 CG HIS A 386 -1.329 -3.467 8.985 1.00 15.00 C ATOM 326 ND1 HIS A 386 -1.362 -3.108 7.675 1.00 15.00 N ATOM 327 CD2 HIS A 386 -1.161 -4.808 9.004 1.00 15.00 C ATOM 328 CE1 HIS A 386 -1.196 -4.141 6.930 1.00 15.00 C ATOM 329 NE2 HIS A 386 -1.076 -5.209 7.695 1.00 15.00 N ATOM 0 H HIS A 386 0.248 -1.501 8.229 1.00 15.00 H new ATOM 0 HA HIS A 386 -2.314 -0.690 9.320 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -0.502 -2.623 10.734 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -2.253 -2.583 10.664 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -1.105 -5.440 9.878 1.00 15.00 H new ATOM 0 HE1 HIS A 386 -1.160 -4.136 5.851 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.943 -6.167 7.370 1.00 15.00 H new ATOM 338 N ASN A 387 0.498 0.308 10.410 1.00 15.00 N ATOM 339 CA ASN A 387 1.329 0.959 11.392 1.00 15.00 C ATOM 340 C ASN A 387 0.954 2.432 11.524 1.00 15.00 C ATOM 341 O ASN A 387 1.174 3.056 12.559 1.00 15.00 O ATOM 342 CB ASN A 387 2.774 0.774 10.932 1.00 15.00 C ATOM 343 CG ASN A 387 3.804 1.375 11.877 1.00 15.00 C ATOM 344 OD1 ASN A 387 4.265 0.716 12.808 1.00 15.00 O ATOM 345 ND2 ASN A 387 4.186 2.620 11.632 1.00 15.00 N ATOM 0 H ASN A 387 0.941 0.220 9.496 1.00 15.00 H new ATOM 0 HA ASN A 387 1.192 0.525 12.382 1.00 15.00 H new ATOM 0 HB2 ASN A 387 2.976 -0.291 10.820 1.00 15.00 H new ATOM 0 HB3 ASN A 387 2.892 1.226 9.947 1.00 15.00 H new ATOM 0 HD21 ASN A 387 4.886 3.065 12.226 1.00 15.00 H new ATOM 0 HD22 ASN A 387 3.780 3.134 10.850 1.00 15.00 H new ATOM 352 N ASN A 388 0.404 2.976 10.450 1.00 15.00 N ATOM 353 CA ASN A 388 -0.059 4.356 10.420 1.00 15.00 C ATOM 354 C ASN A 388 -1.560 4.401 10.117 1.00 15.00 C ATOM 355 O ASN A 388 -2.207 5.436 10.280 1.00 15.00 O ATOM 356 CB ASN A 388 0.737 5.166 9.387 1.00 15.00 C ATOM 357 CG ASN A 388 0.506 6.663 9.499 1.00 15.00 C ATOM 358 OD1 ASN A 388 1.152 7.345 10.298 1.00 15.00 O ATOM 359 ND2 ASN A 388 -0.384 7.195 8.679 1.00 15.00 N ATOM 0 H ASN A 388 0.266 2.473 9.573 1.00 15.00 H new ATOM 0 HA ASN A 388 0.106 4.806 11.399 1.00 15.00 H new ATOM 0 HB2 ASN A 388 1.800 4.958 9.511 1.00 15.00 H new ATOM 0 HB3 ASN A 388 0.463 4.836 8.385 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -0.555 8.201 8.694 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -0.900 6.600 8.031 1.00 15.00 H new ATOM 366 N ARG A 389 -2.090 3.263 9.645 1.00 15.00 N ATOM 367 CA ARG A 389 -3.486 3.154 9.207 1.00 15.00 C ATOM 368 C ARG A 389 -3.682 3.917 7.904 1.00 15.00 C ATOM 369 O ARG A 389 -4.288 4.990 7.881 1.00 15.00 O ATOM 370 CB ARG A 389 -4.483 3.630 10.282 1.00 15.00 C ATOM 371 CG ARG A 389 -4.663 2.663 11.448 1.00 15.00 C ATOM 372 CD ARG A 389 -3.457 2.646 12.376 1.00 15.00 C ATOM 373 NE ARG A 389 -3.481 1.508 13.293 1.00 15.00 N ATOM 374 CZ ARG A 389 -2.556 1.285 14.228 1.00 15.00 C ATOM 375 NH1 ARG A 389 -1.598 2.178 14.449 1.00 15.00 N1+ ATOM 376 NH2 ARG A 389 -2.602 0.174 14.952 1.00 15.00 N ATOM 0 H ARG A 389 -1.562 2.395 9.557 1.00 15.00 H new ATOM 0 HA ARG A 389 -3.696 2.098 9.040 1.00 15.00 H new ATOM 0 HB2 ARG A 389 -4.147 4.591 10.672 1.00 15.00 H new ATOM 0 HB3 ARG A 389 -5.452 3.798 9.812 1.00 15.00 H new ATOM 0 HG2 ARG A 389 -5.551 2.942 12.015 1.00 15.00 H new ATOM 0 HG3 ARG A 389 -4.835 1.659 11.061 1.00 15.00 H new ATOM 0 HD2 ARG A 389 -2.544 2.612 11.782 1.00 15.00 H new ATOM 0 HD3 ARG A 389 -3.429 3.572 12.950 1.00 15.00 H new ATOM 0 HE ARG A 389 -4.251 0.844 13.213 1.00 15.00 H new ATOM 0 HH11 ARG A 389 -1.567 3.039 13.903 1.00 15.00 H new ATOM 0 HH12 ARG A 389 -0.893 2.003 15.165 1.00 15.00 H new ATOM 0 HH21 ARG A 389 -3.344 -0.508 14.793 1.00 15.00 H new ATOM 0 HH22 ARG A 389 -1.896 0.002 15.667 1.00 15.00 H new ATOM 390 N THR A 390 -3.111 3.389 6.824 1.00 15.00 N ATOM 391 CA THR A 390 -3.003 4.148 5.590 1.00 15.00 C ATOM 392 C THR A 390 -3.113 3.270 4.323 1.00 15.00 C ATOM 393 O THR A 390 -2.748 2.097 4.348 1.00 15.00 O ATOM 394 CB THR A 390 -1.646 4.897 5.604 1.00 15.00 C ATOM 395 OG1 THR A 390 -1.700 5.975 6.542 1.00 15.00 O ATOM 396 CG2 THR A 390 -1.228 5.409 4.229 1.00 15.00 C ATOM 0 H THR A 390 -2.721 2.448 6.782 1.00 15.00 H new ATOM 0 HA THR A 390 -3.840 4.845 5.546 1.00 15.00 H new ATOM 0 HB THR A 390 -0.886 4.176 5.906 1.00 15.00 H new ATOM 0 HG1 THR A 390 -1.239 6.756 6.170 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.270 5.924 4.308 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.133 4.569 3.541 1.00 15.00 H new ATOM 0 HG23 THR A 390 -1.982 6.101 3.854 1.00 15.00 H new ATOM 404 N THR A 391 -3.636 3.855 3.232 1.00 15.00 N ATOM 405 CA THR A 391 -3.647 3.236 1.915 1.00 15.00 C ATOM 406 C THR A 391 -3.040 4.227 0.910 1.00 15.00 C ATOM 407 O THR A 391 -3.495 5.368 0.824 1.00 15.00 O ATOM 408 CB THR A 391 -5.090 2.877 1.500 1.00 15.00 C ATOM 409 OG1 THR A 391 -5.162 2.647 0.095 1.00 15.00 O ATOM 410 CG2 THR A 391 -6.064 3.980 1.892 1.00 15.00 C ATOM 0 H THR A 391 -4.065 4.780 3.250 1.00 15.00 H new ATOM 0 HA THR A 391 -3.063 2.316 1.935 1.00 15.00 H new ATOM 0 HB THR A 391 -5.370 1.965 2.027 1.00 15.00 H new ATOM 0 HG1 THR A 391 -4.966 1.705 -0.093 1.00 15.00 H new ATOM 0 HG21 THR A 391 -7.072 3.700 1.587 1.00 15.00 H new ATOM 0 HG22 THR A 391 -6.037 4.122 2.972 1.00 15.00 H new ATOM 0 HG23 THR A 391 -5.780 4.909 1.397 1.00 15.00 H new ATOM 418 N THR A 392 -1.993 3.836 0.184 1.00 15.00 N ATOM 419 CA THR A 392 -1.249 4.815 -0.597 1.00 15.00 C ATOM 420 C THR A 392 -0.607 4.237 -1.863 1.00 15.00 C ATOM 421 O THR A 392 -0.273 3.052 -1.923 1.00 15.00 O ATOM 422 CB THR A 392 -0.171 5.466 0.285 1.00 15.00 C ATOM 423 OG1 THR A 392 0.401 6.597 -0.382 1.00 15.00 O ATOM 424 CG2 THR A 392 0.928 4.476 0.646 1.00 15.00 C ATOM 0 H THR A 392 -1.651 2.877 0.122 1.00 15.00 H new ATOM 0 HA THR A 392 -1.972 5.558 -0.934 1.00 15.00 H new ATOM 0 HB THR A 392 -0.653 5.792 1.206 1.00 15.00 H new ATOM 0 HG1 THR A 392 1.377 6.567 -0.299 1.00 15.00 H new ATOM 0 HG21 THR A 392 1.673 4.970 1.270 1.00 15.00 H new ATOM 0 HG22 THR A 392 0.497 3.637 1.192 1.00 15.00 H new ATOM 0 HG23 THR A 392 1.402 4.111 -0.265 1.00 15.00 H new ATOM 432 N TRP A 393 -0.467 5.090 -2.887 1.00 15.00 N ATOM 433 CA TRP A 393 0.288 4.746 -4.093 1.00 15.00 C ATOM 434 C TRP A 393 1.790 4.750 -3.806 1.00 15.00 C ATOM 435 O TRP A 393 2.564 4.049 -4.459 1.00 15.00 O ATOM 436 CB TRP A 393 0.055 5.761 -5.227 1.00 15.00 C ATOM 437 CG TRP A 393 -1.322 5.818 -5.827 1.00 15.00 C ATOM 438 CD1 TRP A 393 -1.902 6.918 -6.396 1.00 15.00 C ATOM 439 CD2 TRP A 393 -2.280 4.758 -5.949 1.00 15.00 C ATOM 440 NE1 TRP A 393 -3.150 6.609 -6.866 1.00 15.00 N ATOM 441 CE2 TRP A 393 -3.407 5.293 -6.605 1.00 15.00 C ATOM 442 CE3 TRP A 393 -2.300 3.415 -5.575 1.00 15.00 C ATOM 443 CZ2 TRP A 393 -4.531 4.530 -6.890 1.00 15.00 C ATOM 444 CZ3 TRP A 393 -3.421 2.659 -5.857 1.00 15.00 C ATOM 445 CH2 TRP A 393 -4.522 3.218 -6.510 1.00 15.00 C ATOM 0 H TRP A 393 -0.870 6.027 -2.901 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.059 3.758 -4.396 1.00 15.00 H new ATOM 0 HB2 TRP A 393 0.299 6.753 -4.847 1.00 15.00 H new ATOM 0 HB3 TRP A 393 0.763 5.542 -6.027 1.00 15.00 H new ATOM 0 HD1 TRP A 393 -1.441 7.892 -6.465 1.00 15.00 H new ATOM 0 HE1 TRP A 393 -3.784 7.256 -7.335 1.00 15.00 H new ATOM 0 HE3 TRP A 393 -1.452 2.973 -5.073 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 -5.384 4.959 -7.395 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 -3.447 1.619 -5.568 1.00 15.00 H new ATOM 0 HH2 TRP A 393 -5.383 2.601 -6.719 1.00 15.00 H new ATOM 456 N THR A 394 2.190 5.582 -2.850 1.00 15.00 N ATOM 457 CA THR A 394 3.600 5.896 -2.636 1.00 15.00 C ATOM 458 C THR A 394 4.360 4.775 -1.932 1.00 15.00 C ATOM 459 O THR A 394 3.790 4.011 -1.150 1.00 15.00 O ATOM 460 CB THR A 394 3.781 7.222 -1.865 1.00 15.00 C ATOM 461 OG1 THR A 394 3.029 7.215 -0.642 1.00 15.00 O ATOM 462 CG2 THR A 394 3.348 8.403 -2.724 1.00 15.00 C ATOM 0 H THR A 394 1.554 6.054 -2.207 1.00 15.00 H new ATOM 0 HA THR A 394 4.029 6.007 -3.632 1.00 15.00 H new ATOM 0 HB THR A 394 4.839 7.323 -1.623 1.00 15.00 H new ATOM 0 HG1 THR A 394 3.161 8.065 -0.172 1.00 15.00 H new ATOM 0 HG21 THR A 394 3.483 9.329 -2.164 1.00 15.00 H new ATOM 0 HG22 THR A 394 3.953 8.435 -3.630 1.00 15.00 H new ATOM 0 HG23 THR A 394 2.298 8.291 -2.993 1.00 15.00 H new ATOM 470 N ARG A 395 5.651 4.686 -2.234 1.00 15.00 N ATOM 471 CA ARG A 395 6.520 3.672 -1.656 1.00 15.00 C ATOM 472 C ARG A 395 6.749 3.937 -0.175 1.00 15.00 C ATOM 473 O ARG A 395 6.976 5.075 0.237 1.00 15.00 O ATOM 474 CB ARG A 395 7.867 3.665 -2.378 1.00 15.00 C ATOM 475 CG ARG A 395 7.918 2.740 -3.578 1.00 15.00 C ATOM 476 CD ARG A 395 7.918 1.284 -3.147 1.00 15.00 C ATOM 477 NE ARG A 395 8.128 0.375 -4.271 1.00 15.00 N ATOM 478 CZ ARG A 395 8.448 -0.912 -4.140 1.00 15.00 C ATOM 479 NH1 ARG A 395 8.594 -1.445 -2.935 1.00 15.00 N1+ ATOM 480 NH2 ARG A 395 8.630 -1.667 -5.213 1.00 15.00 N ATOM 0 H ARG A 395 6.122 5.314 -2.885 1.00 15.00 H new ATOM 0 HA ARG A 395 6.034 2.703 -1.772 1.00 15.00 H new ATOM 0 HB2 ARG A 395 8.098 4.679 -2.704 1.00 15.00 H new ATOM 0 HB3 ARG A 395 8.644 3.372 -1.673 1.00 15.00 H new ATOM 0 HG2 ARG A 395 7.062 2.931 -4.225 1.00 15.00 H new ATOM 0 HG3 ARG A 395 8.813 2.949 -4.164 1.00 15.00 H new ATOM 0 HD2 ARG A 395 8.700 1.127 -2.404 1.00 15.00 H new ATOM 0 HD3 ARG A 395 6.969 1.050 -2.665 1.00 15.00 H new ATOM 0 HE ARG A 395 8.023 0.748 -5.214 1.00 15.00 H new ATOM 0 HH11 ARG A 395 8.461 -0.870 -2.103 1.00 15.00 H new ATOM 0 HH12 ARG A 395 8.839 -2.431 -2.840 1.00 15.00 H new ATOM 0 HH21 ARG A 395 8.525 -1.264 -6.144 1.00 15.00 H new ATOM 0 HH22 ARG A 395 8.875 -2.652 -5.108 1.00 15.00 H new ATOM 494 N PRO A 396 6.722 2.873 0.635 1.00 15.00 N ATOM 495 CA PRO A 396 6.842 2.973 2.088 1.00 15.00 C ATOM 496 C PRO A 396 8.235 3.390 2.543 1.00 15.00 C ATOM 497 O PRO A 396 9.211 2.659 2.373 1.00 15.00 O ATOM 498 CB PRO A 396 6.544 1.550 2.576 1.00 15.00 C ATOM 499 CG PRO A 396 5.913 0.863 1.414 1.00 15.00 C ATOM 500 CD PRO A 396 6.532 1.485 0.205 1.00 15.00 C ATOM 0 HA PRO A 396 6.170 3.734 2.485 1.00 15.00 H new ATOM 0 HB2 PRO A 396 7.456 1.041 2.886 1.00 15.00 H new ATOM 0 HB3 PRO A 396 5.876 1.561 3.437 1.00 15.00 H new ATOM 0 HG2 PRO A 396 6.099 -0.211 1.443 1.00 15.00 H new ATOM 0 HG3 PRO A 396 4.832 0.999 1.416 1.00 15.00 H new ATOM 0 HD2 PRO A 396 7.475 1.008 -0.061 1.00 15.00 H new ATOM 0 HD3 PRO A 396 5.882 1.414 -0.667 1.00 15.00 H new ATOM 508 N ILE A 397 8.308 4.586 3.103 1.00 15.00 N ATOM 509 CA ILE A 397 9.531 5.106 3.702 1.00 15.00 C ATOM 510 C ILE A 397 9.683 4.558 5.124 1.00 15.00 C ATOM 511 O ILE A 397 10.730 4.685 5.753 1.00 15.00 O ATOM 512 CB ILE A 397 9.531 6.658 3.720 1.00 15.00 C ATOM 513 CG1 ILE A 397 10.894 7.194 4.170 1.00 15.00 C ATOM 514 CG2 ILE A 397 8.419 7.186 4.621 1.00 15.00 C ATOM 515 CD1 ILE A 397 10.997 8.704 4.144 1.00 15.00 C ATOM 0 H ILE A 397 7.518 5.229 3.156 1.00 15.00 H new ATOM 0 HA ILE A 397 10.377 4.780 3.097 1.00 15.00 H new ATOM 0 HB ILE A 397 9.344 7.011 2.706 1.00 15.00 H new ATOM 0 HG12 ILE A 397 11.096 6.843 5.182 1.00 15.00 H new ATOM 0 HG13 ILE A 397 11.668 6.775 3.527 1.00 15.00 H new ATOM 0 HG21 ILE A 397 8.436 8.276 4.620 1.00 15.00 H new ATOM 0 HG22 ILE A 397 7.455 6.838 4.251 1.00 15.00 H new ATOM 0 HG23 ILE A 397 8.570 6.822 5.637 1.00 15.00 H new ATOM 0 HD11 ILE A 397 11.990 9.007 4.476 1.00 15.00 H new ATOM 0 HD12 ILE A 397 10.828 9.063 3.129 1.00 15.00 H new ATOM 0 HD13 ILE A 397 10.247 9.131 4.809 1.00 15.00 H new ATOM 527 N MET A 398 8.619 3.905 5.605 1.00 15.00 N ATOM 528 CA MET A 398 8.492 3.473 7.013 1.00 15.00 C ATOM 529 C MET A 398 9.467 2.446 7.440 1.00 15.00 C ATOM 530 O MET A 398 9.632 2.042 8.588 1.00 15.00 O ATOM 531 CB MET A 398 7.056 3.162 7.446 1.00 15.00 C ATOM 532 CG MET A 398 6.050 4.228 7.045 1.00 15.00 C ATOM 533 SD MET A 398 6.407 5.844 7.760 1.00 15.00 S ATOM 534 CE MET A 398 6.111 5.520 9.497 1.00 15.00 C ATOM 0 H MET A 398 7.814 3.657 5.030 1.00 15.00 H new ATOM 0 HA MET A 398 8.775 4.364 7.574 1.00 15.00 H new ATOM 0 HB2 MET A 398 6.754 2.209 7.012 1.00 15.00 H new ATOM 0 HB3 MET A 398 7.031 3.041 8.529 1.00 15.00 H new ATOM 0 HG2 MET A 398 6.034 4.314 5.958 1.00 15.00 H new ATOM 0 HG3 MET A 398 5.053 3.913 7.354 1.00 15.00 H new ATOM 0 HE1 MET A 398 6.046 6.464 10.037 1.00 15.00 H new ATOM 0 HE2 MET A 398 5.176 4.971 9.611 1.00 15.00 H new ATOM 0 HE3 MET A 398 6.931 4.927 9.901 1.00 15.00 H new ATOM 544 N GLN A 399 10.043 2.103 6.443 1.00 15.00 N ATOM 545 CA GLN A 399 10.982 0.992 6.335 1.00 15.00 C ATOM 546 C GLN A 399 12.364 1.420 6.830 1.00 15.00 C ATOM 547 O GLN A 399 13.203 0.588 7.179 1.00 15.00 O ATOM 548 CB GLN A 399 11.066 0.495 4.885 1.00 15.00 C ATOM 549 CG GLN A 399 12.029 -0.667 4.696 1.00 15.00 C ATOM 550 CD GLN A 399 12.190 -1.081 3.245 1.00 15.00 C ATOM 551 OE1 GLN A 399 13.026 -0.541 2.517 1.00 15.00 O ATOM 552 NE2 GLN A 399 11.410 -2.056 2.818 1.00 15.00 N ATOM 0 H GLN A 399 9.912 2.587 5.555 1.00 15.00 H new ATOM 0 HA GLN A 399 10.623 0.173 6.959 1.00 15.00 H new ATOM 0 HB2 GLN A 399 10.073 0.190 4.556 1.00 15.00 H new ATOM 0 HB3 GLN A 399 11.375 1.320 4.244 1.00 15.00 H new ATOM 0 HG2 GLN A 399 13.004 -0.392 5.099 1.00 15.00 H new ATOM 0 HG3 GLN A 399 11.675 -1.521 5.274 1.00 15.00 H new ATOM 0 HE21 GLN A 399 10.730 -2.479 3.450 1.00 15.00 H new ATOM 0 HE22 GLN A 399 11.487 -2.387 1.856 1.00 15.00 H new ATOM 561 N LEU A 400 12.594 2.725 6.848 1.00 15.00 N ATOM 562 CA LEU A 400 13.874 3.273 7.269 1.00 15.00 C ATOM 563 C LEU A 400 13.866 3.555 8.766 1.00 15.00 C ATOM 564 O LEU A 400 13.281 4.579 9.177 1.00 15.00 O ATOM 565 CB LEU A 400 14.184 4.554 6.487 1.00 15.00 C ATOM 566 CG LEU A 400 14.219 4.397 4.964 1.00 15.00 C ATOM 567 CD1 LEU A 400 14.488 5.736 4.297 1.00 15.00 C ATOM 568 CD2 LEU A 400 15.275 3.382 4.557 1.00 15.00 C ATOM 569 OXT LEU A 400 14.445 2.754 9.528 1.00 15.00 O ATOM 0 H LEU A 400 11.906 3.427 6.574 1.00 15.00 H new ATOM 0 HA LEU A 400 14.652 2.539 7.060 1.00 15.00 H new ATOM 0 HB2 LEU A 400 13.437 5.306 6.741 1.00 15.00 H new ATOM 0 HB3 LEU A 400 15.149 4.938 6.819 1.00 15.00 H new ATOM 0 HG LEU A 400 13.245 4.035 4.634 1.00 15.00 H new ATOM 0 HD11 LEU A 400 14.510 5.606 3.215 1.00 15.00 H new ATOM 0 HD12 LEU A 400 13.699 6.440 4.562 1.00 15.00 H new ATOM 0 HD13 LEU A 400 15.449 6.124 4.635 1.00 15.00 H new ATOM 0 HD21 LEU A 400 15.286 3.283 3.472 1.00 15.00 H new ATOM 0 HD22 LEU A 400 16.254 3.717 4.900 1.00 15.00 H new ATOM 0 HD23 LEU A 400 15.044 2.416 5.007 1.00 15.00 H new TER 581 LEU A 400 ATOM 582 N GLU B 178 -6.040 7.687 -13.372 1.00 15.00 N ATOM 583 CA GLU B 178 -5.927 6.715 -12.260 1.00 15.00 C ATOM 584 C GLU B 178 -7.203 6.709 -11.426 1.00 15.00 C ATOM 585 O GLU B 178 -7.657 7.769 -10.995 1.00 15.00 O ATOM 586 CB GLU B 178 -4.761 7.095 -11.326 1.00 15.00 C ATOM 587 CG GLU B 178 -3.628 7.863 -11.987 1.00 15.00 C ATOM 588 CD GLU B 178 -2.942 7.083 -13.080 1.00 15.00 C ATOM 589 OE1 GLU B 178 -1.987 6.341 -12.776 1.00 15.00 O ATOM 590 OE2 GLU B 178 -3.349 7.222 -14.250 1.00 15.00 O1- ATOM 0 HA GLU B 178 -5.755 5.733 -12.700 1.00 15.00 H new ATOM 0 HB2 GLU B 178 -5.154 7.694 -10.505 1.00 15.00 H new ATOM 0 HB3 GLU B 178 -4.354 6.183 -10.889 1.00 15.00 H new ATOM 0 HG2 GLU B 178 -4.020 8.791 -12.403 1.00 15.00 H new ATOM 0 HG3 GLU B 178 -2.894 8.138 -11.230 1.00 15.00 H new HETATM 599 N TPO B 179 -7.787 5.538 -11.196 1.00 15.00 N HETATM 600 CA TPO B 179 -8.803 5.419 -10.158 1.00 15.00 C HETATM 601 CB TPO B 179 -9.871 4.331 -10.460 1.00 15.00 C HETATM 602 CG2 TPO B 179 -11.275 4.911 -10.351 1.00 15.00 C HETATM 603 OG1 TPO B 179 -9.688 3.762 -11.767 1.00 15.00 O HETATM 604 P TPO B 179 -8.397 2.884 -12.188 1.00 15.00 P HETATM 605 O1P TPO B 179 -8.807 1.626 -12.752 1.00 15.00 O HETATM 606 O2P TPO B 179 -7.604 2.627 -11.002 1.00 15.00 O HETATM 607 O3P TPO B 179 -7.645 3.662 -13.166 1.00 15.00 O HETATM 608 C TPO B 179 -8.102 5.070 -8.848 1.00 15.00 C HETATM 609 O TPO B 179 -7.422 4.049 -8.742 1.00 15.00 O HETATM 0 HG23 TPO B 179 -11.434 5.291 -9.342 1.00 15.00 H new HETATM 0 HG22 TPO B 179 -11.389 5.725 -11.067 1.00 15.00 H new HETATM 0 HG21 TPO B 179 -12.008 4.133 -10.566 1.00 15.00 H new HETATM 0 HB TPO B 179 -9.747 3.542 -9.718 1.00 15.00 H new HETATM 0 HA TPO B 179 -9.331 6.371 -10.104 1.00 15.00 H new HETATM 0 H TPO B 179 -7.826 4.937 -12.019 1.00 15.00 H new ATOM 616 N PRO B 180 -8.228 5.934 -7.849 1.00 15.00 N ATOM 617 CA PRO B 180 -7.614 5.764 -6.541 1.00 15.00 C ATOM 618 C PRO B 180 -7.682 4.488 -5.749 1.00 15.00 C ATOM 619 O PRO B 180 -8.371 3.512 -6.054 1.00 15.00 O ATOM 620 CB PRO B 180 -8.310 6.866 -5.772 1.00 15.00 C ATOM 621 CG PRO B 180 -7.929 7.872 -6.705 1.00 15.00 C ATOM 622 CD PRO B 180 -8.613 7.352 -7.955 1.00 15.00 C ATOM 0 HA PRO B 180 -6.536 5.768 -6.699 1.00 15.00 H new ATOM 0 HB2 PRO B 180 -9.388 6.731 -5.679 1.00 15.00 H new ATOM 0 HB3 PRO B 180 -7.920 7.021 -4.766 1.00 15.00 H new ATOM 0 HG2 PRO B 180 -8.284 8.862 -6.418 1.00 15.00 H new ATOM 0 HG3 PRO B 180 -6.848 7.943 -6.822 1.00 15.00 H new ATOM 0 HD2 PRO B 180 -9.693 7.498 -7.937 1.00 15.00 H new ATOM 0 HD3 PRO B 180 -8.243 7.823 -8.866 1.00 15.00 H new ATOM 630 N PRO B 181 -6.873 4.581 -4.679 1.00 15.00 N ATOM 631 CA PRO B 181 -6.614 3.532 -3.694 1.00 15.00 C ATOM 632 C PRO B 181 -7.867 2.904 -3.087 1.00 15.00 C ATOM 633 O PRO B 181 -8.839 3.591 -2.764 1.00 15.00 O ATOM 634 CB PRO B 181 -5.834 4.276 -2.594 1.00 15.00 C ATOM 635 CG PRO B 181 -5.976 5.735 -2.899 1.00 15.00 C ATOM 636 CD PRO B 181 -6.138 5.831 -4.344 1.00 15.00 C ATOM 0 HA PRO B 181 -6.093 2.695 -4.159 1.00 15.00 H new ATOM 0 HB2 PRO B 181 -6.234 4.043 -1.607 1.00 15.00 H new ATOM 0 HB3 PRO B 181 -4.785 3.979 -2.591 1.00 15.00 H new ATOM 0 HG2 PRO B 181 -6.836 6.160 -2.381 1.00 15.00 H new ATOM 0 HG3 PRO B 181 -5.098 6.290 -2.567 1.00 15.00 H new ATOM 0 HD2 PRO B 181 -6.701 6.720 -4.629 1.00 15.00 H new ATOM 0 HD3 PRO B 181 -5.177 5.884 -4.856 1.00 15.00 H new ATOM 644 N PRO B 182 -7.829 1.576 -2.921 1.00 15.00 N ATOM 645 CA PRO B 182 -8.784 0.830 -2.095 1.00 15.00 C ATOM 646 C PRO B 182 -8.551 1.142 -0.616 1.00 15.00 C ATOM 647 O PRO B 182 -7.430 1.465 -0.232 1.00 15.00 O ATOM 648 CB PRO B 182 -8.459 -0.646 -2.396 1.00 15.00 C ATOM 649 CG PRO B 182 -7.588 -0.620 -3.609 1.00 15.00 C ATOM 650 CD PRO B 182 -6.854 0.683 -3.555 1.00 15.00 C ATOM 0 HA PRO B 182 -9.823 1.081 -2.309 1.00 15.00 H new ATOM 0 HB2 PRO B 182 -7.948 -1.115 -1.555 1.00 15.00 H new ATOM 0 HB3 PRO B 182 -9.368 -1.220 -2.577 1.00 15.00 H new ATOM 0 HG2 PRO B 182 -6.894 -1.460 -3.610 1.00 15.00 H new ATOM 0 HG3 PRO B 182 -8.183 -0.697 -4.519 1.00 15.00 H new ATOM 0 HD2 PRO B 182 -5.936 0.607 -2.972 1.00 15.00 H new ATOM 0 HD3 PRO B 182 -6.573 1.031 -4.549 1.00 15.00 H new ATOM 658 N GLY B 183 -9.609 1.075 0.190 1.00 15.00 N ATOM 659 CA GLY B 183 -9.518 1.433 1.607 1.00 15.00 C ATOM 660 C GLY B 183 -8.400 0.719 2.366 1.00 15.00 C ATOM 661 O GLY B 183 -7.727 -0.161 1.836 1.00 15.00 O ATOM 0 H GLY B 183 -10.537 0.777 -0.111 1.00 15.00 H new ATOM 0 HA2 GLY B 183 -9.367 2.509 1.689 1.00 15.00 H new ATOM 0 HA3 GLY B 183 -10.470 1.207 2.088 1.00 15.00 H new ATOM 665 N TYR B 184 -8.245 1.058 3.642 1.00 15.00 N ATOM 666 CA TYR B 184 -7.119 0.568 4.430 1.00 15.00 C ATOM 667 C TYR B 184 -7.434 -0.769 5.129 1.00 15.00 C ATOM 668 O TYR B 184 -8.464 -0.905 5.794 1.00 15.00 O ATOM 669 CB TYR B 184 -6.673 1.640 5.448 1.00 15.00 C ATOM 670 CG TYR B 184 -6.089 1.069 6.724 1.00 15.00 C ATOM 671 CD1 TYR B 184 -4.838 0.468 6.752 1.00 15.00 C ATOM 672 CD2 TYR B 184 -6.820 1.115 7.906 1.00 15.00 C ATOM 673 CE1 TYR B 184 -4.334 -0.067 7.924 1.00 15.00 C ATOM 674 CE2 TYR B 184 -6.323 0.582 9.077 1.00 15.00 C ATOM 675 CZ TYR B 184 -5.080 -0.007 9.082 1.00 15.00 C ATOM 676 OH TYR B 184 -4.580 -0.541 10.251 1.00 15.00 O ATOM 0 H TYR B 184 -8.883 1.669 4.152 1.00 15.00 H new ATOM 0 HA TYR B 184 -6.295 0.373 3.743 1.00 15.00 H new ATOM 0 HB2 TYR B 184 -5.932 2.287 4.978 1.00 15.00 H new ATOM 0 HB3 TYR B 184 -7.529 2.266 5.700 1.00 15.00 H new ATOM 0 HD1 TYR B 184 -4.251 0.417 5.847 1.00 15.00 H new ATOM 0 HD2 TYR B 184 -7.796 1.577 7.907 1.00 15.00 H new ATOM 0 HE1 TYR B 184 -3.359 -0.531 7.932 1.00 15.00 H new ATOM 0 HE2 TYR B 184 -6.906 0.627 9.985 1.00 15.00 H new ATOM 0 HH TYR B 184 -5.321 -0.856 10.810 1.00 15.00 H new ATOM 686 N LEU B 185 -6.503 -1.733 4.991 1.00 15.00 N ATOM 687 CA LEU B 185 -6.658 -3.091 5.487 1.00 15.00 C ATOM 688 C LEU B 185 -7.933 -3.750 5.042 1.00 15.00 C ATOM 689 O LEU B 185 -8.886 -3.927 5.802 1.00 15.00 O ATOM 690 CB LEU B 185 -6.435 -3.220 6.985 1.00 15.00 C ATOM 691 CG LEU B 185 -4.997 -3.518 7.364 1.00 15.00 C ATOM 692 CD1 LEU B 185 -4.834 -3.525 8.876 1.00 15.00 C ATOM 693 CD2 LEU B 185 -4.568 -4.853 6.777 1.00 15.00 C ATOM 0 H LEU B 185 -5.611 -1.575 4.522 1.00 15.00 H new ATOM 0 HA LEU B 185 -5.850 -3.649 5.014 1.00 15.00 H new ATOM 0 HB2 LEU B 185 -6.745 -2.295 7.471 1.00 15.00 H new ATOM 0 HB3 LEU B 185 -7.075 -4.013 7.372 1.00 15.00 H new ATOM 0 HG LEU B 185 -4.359 -2.734 6.955 1.00 15.00 H new ATOM 0 HD11 LEU B 185 -3.796 -3.741 9.129 1.00 15.00 H new ATOM 0 HD12 LEU B 185 -5.110 -2.549 9.276 1.00 15.00 H new ATOM 0 HD13 LEU B 185 -5.479 -4.290 9.308 1.00 15.00 H new ATOM 0 HD21 LEU B 185 -3.534 -5.057 7.055 1.00 15.00 H new ATOM 0 HD22 LEU B 185 -5.211 -5.644 7.164 1.00 15.00 H new ATOM 0 HD23 LEU B 185 -4.651 -4.816 5.691 1.00 15.00 H new ATOM 705 N SER B 186 -7.944 -4.031 3.767 1.00 15.00 N ATOM 706 CA SER B 186 -8.876 -4.942 3.180 1.00 15.00 C ATOM 707 C SER B 186 -8.138 -5.629 2.052 1.00 15.00 C ATOM 708 O SER B 186 -7.977 -5.070 0.971 1.00 15.00 O ATOM 709 CB SER B 186 -10.102 -4.185 2.680 1.00 15.00 C ATOM 710 OG SER B 186 -11.009 -5.034 1.995 1.00 15.00 O ATOM 0 H SER B 186 -7.291 -3.623 3.098 1.00 15.00 H new ATOM 0 HA SER B 186 -9.240 -5.678 3.897 1.00 15.00 H new ATOM 0 HB2 SER B 186 -10.609 -3.719 3.525 1.00 15.00 H new ATOM 0 HB3 SER B 186 -9.785 -3.381 2.015 1.00 15.00 H new ATOM 0 HG SER B 186 -11.781 -4.512 1.692 1.00 15.00 H new ATOM 716 N GLU B 187 -7.665 -6.832 2.328 1.00 15.00 N ATOM 717 CA GLU B 187 -6.700 -7.483 1.462 1.00 15.00 C ATOM 718 C GLU B 187 -7.162 -8.889 1.124 1.00 15.00 C ATOM 719 O GLU B 187 -7.349 -9.728 2.008 1.00 15.00 O ATOM 720 CB GLU B 187 -5.312 -7.497 2.134 1.00 15.00 C ATOM 721 CG GLU B 187 -4.790 -6.115 2.472 1.00 15.00 C ATOM 722 CD GLU B 187 -4.398 -5.338 1.243 1.00 15.00 C ATOM 723 OE1 GLU B 187 -3.327 -5.619 0.694 1.00 15.00 O ATOM 724 OE2 GLU B 187 -5.165 -4.453 0.817 1.00 15.00 O1- ATOM 0 H GLU B 187 -7.935 -7.378 3.147 1.00 15.00 H new ATOM 0 HA GLU B 187 -6.620 -6.923 0.530 1.00 15.00 H new ATOM 0 HB2 GLU B 187 -5.365 -8.090 3.047 1.00 15.00 H new ATOM 0 HB3 GLU B 187 -4.602 -7.993 1.473 1.00 15.00 H new ATOM 0 HG2 GLU B 187 -5.554 -5.564 3.020 1.00 15.00 H new ATOM 0 HG3 GLU B 187 -3.928 -6.206 3.133 1.00 15.00 H new ATOM 731 N ASP B 188 -7.346 -9.135 -0.164 1.00 15.00 N ATOM 732 CA ASP B 188 -7.906 -10.392 -0.645 1.00 15.00 C ATOM 733 C ASP B 188 -6.872 -11.514 -0.630 1.00 15.00 C ATOM 734 O ASP B 188 -7.209 -12.680 -0.845 1.00 15.00 O ATOM 735 CB ASP B 188 -8.448 -10.219 -2.065 1.00 15.00 C ATOM 736 CG ASP B 188 -7.347 -9.976 -3.081 1.00 15.00 C ATOM 737 OD1 ASP B 188 -6.903 -8.818 -3.227 1.00 15.00 O1- ATOM 738 OD2 ASP B 188 -6.918 -10.943 -3.743 1.00 15.00 O ATOM 0 H ASP B 188 -7.113 -8.473 -0.904 1.00 15.00 H new ATOM 0 HA ASP B 188 -8.717 -10.667 0.029 1.00 15.00 H new ATOM 0 HB2 ASP B 188 -9.009 -11.110 -2.348 1.00 15.00 H new ATOM 0 HB3 ASP B 188 -9.147 -9.383 -2.084 1.00 15.00 H new ATOM 743 N GLY B 189 -5.619 -11.163 -0.387 1.00 15.00 N ATOM 744 CA GLY B 189 -4.561 -12.147 -0.409 1.00 15.00 C ATOM 745 C GLY B 189 -3.323 -11.657 0.301 1.00 15.00 C ATOM 746 O GLY B 189 -3.464 -10.901 1.283 1.00 15.00 O ATOM 747 OXT GLY B 189 -2.208 -12.011 -0.132 1.00 15.00 O ATOM 0 H GLY B 189 -5.317 -10.212 -0.175 1.00 15.00 H new ATOM 0 HA2 GLY B 189 -4.910 -13.066 0.062 1.00 15.00 H new ATOM 0 HA3 GLY B 189 -4.314 -12.392 -1.442 1.00 15.00 H new TER 751 GLY B 189