USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 383 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 385 ASN : amide:sc= -3.39! C(o=-3.3!,f=-8.8!) USER MOD Set 1.2: A 387 ASN : amide:sc= 0 K(o=-3.3,f=-4.3) USER MOD Set 1.3: A 388 ASN : amide:sc= 0.11 K(o=-3.3,f=-15!) USER MOD Set 2.1: A 386 HIS : no HD1:sc= 0.968 K(o=0.78,f=-5.2!) USER MOD Set 2.2: B 211 TYR OH : rot 150:sc= -0.187 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 378 LYS NZ :NH3+ 171:sc= 2.16 (180deg=1.7) USER MOD Single : A 381 THR OG1 : rot 46:sc= 0.462 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 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 391 THR OG1 : rot 45:sc= 0.00634 USER MOD Single : A 392 THR OG1 : rot 180:sc= 0.356 USER MOD Single : A 394 THR OG1 : rot 180:sc= 0 USER MOD Single : B 206 SER OG : rot 180:sc= 0.0195 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 159:sc= 0 (180deg=-0.678) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 365 -16.755 -3.090 -3.577 1.00 15.00 N ATOM 2 CA PRO A 365 -15.369 -2.618 -3.424 1.00 15.00 C ATOM 3 C PRO A 365 -15.348 -1.213 -2.836 1.00 15.00 C ATOM 4 O PRO A 365 -15.954 -0.293 -3.384 1.00 15.00 O ATOM 5 CB PRO A 365 -14.701 -2.641 -4.790 1.00 15.00 C ATOM 6 CG PRO A 365 -15.704 -3.314 -5.674 1.00 15.00 C ATOM 7 CD PRO A 365 -16.737 -3.951 -4.766 1.00 15.00 C ATOM 0 HA PRO A 365 -14.826 -3.270 -2.739 1.00 15.00 H new ATOM 0 HB2 PRO A 365 -14.473 -1.634 -5.140 1.00 15.00 H new ATOM 0 HB3 PRO A 365 -13.760 -3.190 -4.765 1.00 15.00 H new ATOM 0 HG2 PRO A 365 -16.172 -2.593 -6.345 1.00 15.00 H new ATOM 0 HG3 PRO A 365 -15.224 -4.066 -6.299 1.00 15.00 H new ATOM 0 HD2 PRO A 365 -17.716 -3.990 -5.243 1.00 15.00 H new ATOM 0 HD3 PRO A 365 -16.465 -4.975 -4.511 1.00 15.00 H new ATOM 17 N GLY A 366 -14.651 -1.052 -1.721 1.00 15.00 N ATOM 18 CA GLY A 366 -14.634 0.224 -1.040 1.00 15.00 C ATOM 19 C GLY A 366 -13.232 0.732 -0.783 1.00 15.00 C ATOM 20 O GLY A 366 -12.396 0.017 -0.232 1.00 15.00 O ATOM 0 H GLY A 366 -14.097 -1.784 -1.276 1.00 15.00 H new ATOM 0 HA2 GLY A 366 -15.177 0.957 -1.637 1.00 15.00 H new ATOM 0 HA3 GLY A 366 -15.162 0.131 -0.091 1.00 15.00 H new ATOM 24 N LEU A 367 -12.978 1.964 -1.199 1.00 15.00 N ATOM 25 CA LEU A 367 -11.698 2.609 -0.958 1.00 15.00 C ATOM 26 C LEU A 367 -11.829 3.551 0.239 1.00 15.00 C ATOM 27 O LEU A 367 -12.656 4.465 0.224 1.00 15.00 O ATOM 28 CB LEU A 367 -11.256 3.379 -2.216 1.00 15.00 C ATOM 29 CG LEU A 367 -9.799 3.868 -2.234 1.00 15.00 C ATOM 30 CD1 LEU A 367 -9.343 4.109 -3.664 1.00 15.00 C ATOM 31 CD2 LEU A 367 -9.634 5.144 -1.420 1.00 15.00 C ATOM 0 H LEU A 367 -13.648 2.540 -1.709 1.00 15.00 H new ATOM 0 HA LEU A 367 -10.940 1.858 -0.735 1.00 15.00 H new ATOM 0 HB2 LEU A 367 -11.413 2.738 -3.083 1.00 15.00 H new ATOM 0 HB3 LEU A 367 -11.909 4.243 -2.336 1.00 15.00 H new ATOM 0 HG LEU A 367 -9.181 3.091 -1.783 1.00 15.00 H new ATOM 0 HD11 LEU A 367 -8.309 4.455 -3.663 1.00 15.00 H new ATOM 0 HD12 LEU A 367 -9.414 3.180 -4.230 1.00 15.00 H new ATOM 0 HD13 LEU A 367 -9.978 4.865 -4.126 1.00 15.00 H new ATOM 0 HD21 LEU A 367 -8.593 5.464 -1.452 1.00 15.00 H new ATOM 0 HD22 LEU A 367 -10.267 5.927 -1.838 1.00 15.00 H new ATOM 0 HD23 LEU A 367 -9.924 4.956 -0.386 1.00 15.00 H new ATOM 43 N PRO A 368 -11.030 3.342 1.294 1.00 15.00 N ATOM 44 CA PRO A 368 -11.073 4.178 2.486 1.00 15.00 C ATOM 45 C PRO A 368 -10.125 5.374 2.393 1.00 15.00 C ATOM 46 O PRO A 368 -8.994 5.258 1.919 1.00 15.00 O ATOM 47 CB PRO A 368 -10.619 3.213 3.582 1.00 15.00 C ATOM 48 CG PRO A 368 -9.706 2.243 2.902 1.00 15.00 C ATOM 49 CD PRO A 368 -10.058 2.241 1.434 1.00 15.00 C ATOM 0 HA PRO A 368 -12.056 4.617 2.655 1.00 15.00 H new ATOM 0 HB2 PRO A 368 -10.104 3.743 4.383 1.00 15.00 H new ATOM 0 HB3 PRO A 368 -11.470 2.702 4.033 1.00 15.00 H new ATOM 0 HG2 PRO A 368 -8.665 2.531 3.046 1.00 15.00 H new ATOM 0 HG3 PRO A 368 -9.822 1.245 3.326 1.00 15.00 H new ATOM 0 HD2 PRO A 368 -9.177 2.406 0.813 1.00 15.00 H new ATOM 0 HD3 PRO A 368 -10.489 1.288 1.129 1.00 15.00 H new ATOM 57 N SER A 369 -10.588 6.521 2.873 1.00 15.00 N ATOM 58 CA SER A 369 -9.817 7.750 2.788 1.00 15.00 C ATOM 59 C SER A 369 -8.607 7.689 3.716 1.00 15.00 C ATOM 60 O SER A 369 -8.729 7.387 4.907 1.00 15.00 O ATOM 61 CB SER A 369 -10.707 8.938 3.152 1.00 15.00 C ATOM 62 OG SER A 369 -11.886 8.944 2.364 1.00 15.00 O ATOM 0 H SER A 369 -11.496 6.624 3.326 1.00 15.00 H new ATOM 0 HA SER A 369 -9.456 7.872 1.767 1.00 15.00 H new ATOM 0 HB2 SER A 369 -10.971 8.890 4.209 1.00 15.00 H new ATOM 0 HB3 SER A 369 -10.159 9.868 3.002 1.00 15.00 H new ATOM 0 HG SER A 369 -12.442 9.711 2.614 1.00 15.00 H new ATOM 68 N GLY A 370 -7.444 7.985 3.160 1.00 15.00 N ATOM 69 CA GLY A 370 -6.208 7.849 3.901 1.00 15.00 C ATOM 70 C GLY A 370 -5.365 6.732 3.333 1.00 15.00 C ATOM 71 O GLY A 370 -4.142 6.711 3.493 1.00 15.00 O ATOM 0 H GLY A 370 -7.333 8.319 2.203 1.00 15.00 H new ATOM 0 HA2 GLY A 370 -5.652 8.786 3.865 1.00 15.00 H new ATOM 0 HA3 GLY A 370 -6.427 7.649 4.950 1.00 15.00 H new ATOM 75 N TRP A 371 -6.033 5.810 2.657 1.00 15.00 N ATOM 76 CA TRP A 371 -5.369 4.696 2.012 1.00 15.00 C ATOM 77 C TRP A 371 -5.052 5.027 0.563 1.00 15.00 C ATOM 78 O TRP A 371 -5.934 5.411 -0.206 1.00 15.00 O ATOM 79 CB TRP A 371 -6.245 3.445 2.066 1.00 15.00 C ATOM 80 CG TRP A 371 -6.306 2.797 3.414 1.00 15.00 C ATOM 81 CD1 TRP A 371 -6.861 3.309 4.551 1.00 15.00 C ATOM 82 CD2 TRP A 371 -5.812 1.497 3.755 1.00 15.00 C ATOM 83 NE1 TRP A 371 -6.731 2.411 5.582 1.00 15.00 N ATOM 84 CE2 TRP A 371 -6.092 1.290 5.118 1.00 15.00 C ATOM 85 CE3 TRP A 371 -5.156 0.491 3.039 1.00 15.00 C ATOM 86 CZ2 TRP A 371 -5.740 0.115 5.779 1.00 15.00 C ATOM 87 CZ3 TRP A 371 -4.807 -0.675 3.697 1.00 15.00 C ATOM 88 CH2 TRP A 371 -5.099 -0.853 5.054 1.00 15.00 C ATOM 0 H TRP A 371 -7.047 5.816 2.542 1.00 15.00 H new ATOM 0 HA TRP A 371 -4.438 4.506 2.547 1.00 15.00 H new ATOM 0 HB2 TRP A 371 -7.256 3.709 1.756 1.00 15.00 H new ATOM 0 HB3 TRP A 371 -5.869 2.720 1.344 1.00 15.00 H new ATOM 0 HD1 TRP A 371 -7.333 4.277 4.629 1.00 15.00 H new ATOM 0 HE1 TRP A 371 -7.057 2.555 6.538 1.00 15.00 H new ATOM 0 HE3 TRP A 371 -4.926 0.622 1.992 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 -5.965 -0.027 6.826 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 -4.301 -1.460 3.155 1.00 15.00 H new ATOM 0 HH2 TRP A 371 -4.812 -1.774 5.540 1.00 15.00 H new ATOM 99 N GLU A 372 -3.794 4.887 0.194 1.00 15.00 N ATOM 100 CA GLU A 372 -3.405 5.039 -1.188 1.00 15.00 C ATOM 101 C GLU A 372 -3.045 3.688 -1.782 1.00 15.00 C ATOM 102 O GLU A 372 -2.024 3.087 -1.441 1.00 15.00 O ATOM 103 CB GLU A 372 -2.257 6.030 -1.346 1.00 15.00 C ATOM 104 CG GLU A 372 -2.701 7.477 -1.392 1.00 15.00 C ATOM 105 CD GLU A 372 -1.614 8.377 -1.929 1.00 15.00 C ATOM 106 OE1 GLU A 372 -1.411 8.389 -3.159 1.00 15.00 O1- ATOM 107 OE2 GLU A 372 -0.949 9.061 -1.125 1.00 15.00 O ATOM 0 H GLU A 372 -3.028 4.669 0.832 1.00 15.00 H new ATOM 0 HA GLU A 372 -4.256 5.446 -1.734 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.560 5.900 -0.518 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -1.712 5.798 -2.261 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -3.589 7.566 -2.018 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.982 7.803 -0.391 1.00 15.00 H new ATOM 114 N GLU A 373 -3.914 3.209 -2.647 1.00 15.00 N ATOM 115 CA GLU A 373 -3.746 1.914 -3.279 1.00 15.00 C ATOM 116 C GLU A 373 -3.085 2.119 -4.615 1.00 15.00 C ATOM 117 O GLU A 373 -3.729 2.523 -5.586 1.00 15.00 O ATOM 118 CB GLU A 373 -5.101 1.264 -3.466 1.00 15.00 C ATOM 119 CG GLU A 373 -6.075 1.695 -2.398 1.00 15.00 C ATOM 120 CD GLU A 373 -7.492 1.269 -2.700 1.00 15.00 C ATOM 121 OE1 GLU A 373 -7.777 0.916 -3.868 1.00 15.00 O1- ATOM 122 OE2 GLU A 373 -8.324 1.247 -1.773 1.00 15.00 O ATOM 0 H GLU A 373 -4.758 3.705 -2.933 1.00 15.00 H new ATOM 0 HA GLU A 373 -3.129 1.266 -2.657 1.00 15.00 H new ATOM 0 HB2 GLU A 373 -5.498 1.524 -4.447 1.00 15.00 H new ATOM 0 HB3 GLU A 373 -4.991 0.180 -3.443 1.00 15.00 H new ATOM 0 HG2 GLU A 373 -5.769 1.274 -1.440 1.00 15.00 H new ATOM 0 HG3 GLU A 373 -6.039 2.780 -2.295 1.00 15.00 H new ATOM 129 N ARG A 374 -1.797 1.887 -4.659 1.00 15.00 N ATOM 130 CA ARG A 374 -1.016 2.322 -5.785 1.00 15.00 C ATOM 131 C ARG A 374 -0.284 1.159 -6.432 1.00 15.00 C ATOM 132 O ARG A 374 0.447 0.407 -5.780 1.00 15.00 O ATOM 133 CB ARG A 374 -0.086 3.435 -5.321 1.00 15.00 C ATOM 134 CG ARG A 374 -0.871 4.644 -4.818 1.00 15.00 C ATOM 135 CD ARG A 374 0.030 5.690 -4.182 1.00 15.00 C ATOM 136 NE ARG A 374 1.059 6.167 -5.107 1.00 15.00 N ATOM 137 CZ ARG A 374 1.461 7.435 -5.192 1.00 15.00 C ATOM 138 NH1 ARG A 374 0.838 8.389 -4.512 1.00 15.00 N1+ ATOM 139 NH2 ARG A 374 2.470 7.754 -5.988 1.00 15.00 N ATOM 0 H ARG A 374 -1.271 1.402 -3.932 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.664 2.720 -6.566 1.00 15.00 H new ATOM 0 HB2 ARG A 374 0.561 3.063 -4.526 1.00 15.00 H new ATOM 0 HB3 ARG A 374 0.562 3.737 -6.144 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -1.415 5.093 -5.649 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -1.613 4.316 -4.091 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -0.574 6.533 -3.847 1.00 15.00 H new ATOM 0 HD3 ARG A 374 0.506 5.268 -3.297 1.00 15.00 H new ATOM 0 HE ARG A 374 1.497 5.485 -5.727 1.00 15.00 H new ATOM 0 HH11 ARG A 374 0.043 8.155 -3.917 1.00 15.00 H new ATOM 0 HH12 ARG A 374 1.154 9.356 -4.584 1.00 15.00 H new ATOM 0 HH21 ARG A 374 2.937 7.030 -6.534 1.00 15.00 H new ATOM 0 HH22 ARG A 374 2.780 8.723 -6.055 1.00 15.00 H new ATOM 153 N LYS A 375 -0.522 1.015 -7.725 1.00 15.00 N ATOM 154 CA LYS A 375 -0.026 -0.114 -8.492 1.00 15.00 C ATOM 155 C LYS A 375 1.062 0.346 -9.454 1.00 15.00 C ATOM 156 O LYS A 375 0.800 1.125 -10.374 1.00 15.00 O ATOM 157 CB LYS A 375 -1.176 -0.781 -9.266 1.00 15.00 C ATOM 158 CG LYS A 375 -2.164 -1.571 -8.401 1.00 15.00 C ATOM 159 CD LYS A 375 -2.948 -0.688 -7.435 1.00 15.00 C ATOM 160 CE LYS A 375 -3.965 0.195 -8.148 1.00 15.00 C ATOM 161 NZ LYS A 375 -5.166 -0.569 -8.579 1.00 15.00 N1+ ATOM 0 H LYS A 375 -1.067 1.680 -8.274 1.00 15.00 H new ATOM 0 HA LYS A 375 0.399 -0.846 -7.805 1.00 15.00 H new ATOM 0 HB2 LYS A 375 -1.725 -0.010 -9.807 1.00 15.00 H new ATOM 0 HB3 LYS A 375 -0.751 -1.453 -10.012 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -2.862 -2.101 -9.049 1.00 15.00 H new ATOM 0 HG3 LYS A 375 -1.619 -2.326 -7.834 1.00 15.00 H new ATOM 0 HD2 LYS A 375 -3.463 -1.317 -6.709 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -2.254 -0.060 -6.877 1.00 15.00 H new ATOM 0 HE2 LYS A 375 -4.270 1.004 -7.484 1.00 15.00 H new ATOM 0 HE3 LYS A 375 -3.497 0.655 -9.018 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 -5.831 0.071 -9.059 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 -4.880 -1.325 -9.233 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 -5.628 -0.987 -7.747 1.00 15.00 H new ATOM 175 N ASP A 376 2.277 -0.127 -9.229 1.00 15.00 N ATOM 176 CA ASP A 376 3.424 0.278 -10.035 1.00 15.00 C ATOM 177 C ASP A 376 3.646 -0.700 -11.187 1.00 15.00 C ATOM 178 O ASP A 376 3.356 -1.888 -11.058 1.00 15.00 O ATOM 179 CB ASP A 376 4.683 0.391 -9.181 1.00 15.00 C ATOM 180 CG ASP A 376 5.695 1.325 -9.811 1.00 15.00 C ATOM 181 OD1 ASP A 376 6.449 0.885 -10.695 1.00 15.00 O ATOM 182 OD2 ASP A 376 5.731 2.509 -9.431 1.00 15.00 O1- ATOM 0 H ASP A 376 2.498 -0.796 -8.491 1.00 15.00 H new ATOM 0 HA ASP A 376 3.209 1.262 -10.452 1.00 15.00 H new ATOM 0 HB2 ASP A 376 4.419 0.754 -8.188 1.00 15.00 H new ATOM 0 HB3 ASP A 376 5.127 -0.596 -9.052 1.00 15.00 H new ATOM 187 N ALA A 377 4.192 -0.191 -12.292 1.00 15.00 N ATOM 188 CA ALA A 377 4.242 -0.907 -13.576 1.00 15.00 C ATOM 189 C ALA A 377 4.997 -2.246 -13.540 1.00 15.00 C ATOM 190 O ALA A 377 4.858 -3.048 -14.461 1.00 15.00 O ATOM 191 CB ALA A 377 4.842 -0.005 -14.643 1.00 15.00 C ATOM 0 H ALA A 377 4.616 0.736 -12.326 1.00 15.00 H new ATOM 0 HA ALA A 377 3.209 -1.161 -13.812 1.00 15.00 H new ATOM 0 HB1 ALA A 377 4.877 -0.539 -15.593 1.00 15.00 H new ATOM 0 HB2 ALA A 377 4.227 0.889 -14.752 1.00 15.00 H new ATOM 0 HB3 ALA A 377 5.852 0.283 -14.351 1.00 15.00 H new ATOM 197 N LYS A 378 5.796 -2.502 -12.503 1.00 15.00 N ATOM 198 CA LYS A 378 6.440 -3.820 -12.357 1.00 15.00 C ATOM 199 C LYS A 378 5.393 -4.856 -11.988 1.00 15.00 C ATOM 200 O LYS A 378 5.637 -6.061 -12.031 1.00 15.00 O ATOM 201 CB LYS A 378 7.534 -3.858 -11.286 1.00 15.00 C ATOM 202 CG LYS A 378 8.536 -2.727 -11.339 1.00 15.00 C ATOM 203 CD LYS A 378 8.012 -1.530 -10.585 1.00 15.00 C ATOM 204 CE LYS A 378 9.140 -0.690 -10.008 1.00 15.00 C ATOM 205 NZ LYS A 378 8.630 0.359 -9.090 1.00 15.00 N1+ ATOM 0 H LYS A 378 6.013 -1.834 -11.763 1.00 15.00 H new ATOM 0 HA LYS A 378 6.909 -4.033 -13.317 1.00 15.00 H new ATOM 0 HB2 LYS A 378 7.058 -3.853 -10.305 1.00 15.00 H new ATOM 0 HB3 LYS A 378 8.072 -4.802 -11.375 1.00 15.00 H new ATOM 0 HG2 LYS A 378 9.484 -3.051 -10.908 1.00 15.00 H new ATOM 0 HG3 LYS A 378 8.733 -2.455 -12.376 1.00 15.00 H new ATOM 0 HD2 LYS A 378 7.406 -0.917 -11.252 1.00 15.00 H new ATOM 0 HD3 LYS A 378 7.359 -1.865 -9.779 1.00 15.00 H new ATOM 0 HE2 LYS A 378 9.836 -1.335 -9.472 1.00 15.00 H new ATOM 0 HE3 LYS A 378 9.698 -0.223 -10.820 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 9.429 0.810 -8.600 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 8.109 1.075 -9.636 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 7.994 -0.072 -8.389 1.00 15.00 H new ATOM 219 N GLY A 379 4.241 -4.354 -11.585 1.00 15.00 N ATOM 220 CA GLY A 379 3.194 -5.182 -11.055 1.00 15.00 C ATOM 221 C GLY A 379 3.310 -5.326 -9.558 1.00 15.00 C ATOM 222 O GLY A 379 3.252 -6.430 -9.015 1.00 15.00 O ATOM 0 H GLY A 379 4.013 -3.360 -11.619 1.00 15.00 H new ATOM 0 HA2 GLY A 379 2.225 -4.751 -11.306 1.00 15.00 H new ATOM 0 HA3 GLY A 379 3.236 -6.166 -11.521 1.00 15.00 H new ATOM 226 N ARG A 380 3.481 -4.193 -8.893 1.00 15.00 N ATOM 227 CA ARG A 380 3.556 -4.153 -7.444 1.00 15.00 C ATOM 228 C ARG A 380 2.290 -3.508 -6.898 1.00 15.00 C ATOM 229 O ARG A 380 2.078 -2.306 -7.071 1.00 15.00 O ATOM 230 CB ARG A 380 4.785 -3.359 -6.986 1.00 15.00 C ATOM 231 CG ARG A 380 6.079 -3.776 -7.670 1.00 15.00 C ATOM 232 CD ARG A 380 6.449 -5.217 -7.365 1.00 15.00 C ATOM 233 NE ARG A 380 6.872 -5.405 -5.976 1.00 15.00 N ATOM 234 CZ ARG A 380 7.109 -6.601 -5.433 1.00 15.00 C ATOM 235 NH1 ARG A 380 6.965 -7.700 -6.164 1.00 15.00 N1+ ATOM 236 NH2 ARG A 380 7.507 -6.697 -4.169 1.00 15.00 N ATOM 0 H ARG A 380 3.571 -3.281 -9.342 1.00 15.00 H new ATOM 0 HA ARG A 380 3.647 -5.171 -7.064 1.00 15.00 H new ATOM 0 HB2 ARG A 380 4.611 -2.299 -7.174 1.00 15.00 H new ATOM 0 HB3 ARG A 380 4.901 -3.477 -5.909 1.00 15.00 H new ATOM 0 HG2 ARG A 380 5.976 -3.649 -8.748 1.00 15.00 H new ATOM 0 HG3 ARG A 380 6.887 -3.119 -7.348 1.00 15.00 H new ATOM 0 HD2 ARG A 380 5.593 -5.860 -7.571 1.00 15.00 H new ATOM 0 HD3 ARG A 380 7.252 -5.532 -8.032 1.00 15.00 H new ATOM 0 HE ARG A 380 6.992 -4.577 -5.392 1.00 15.00 H new ATOM 0 HH11 ARG A 380 6.674 -7.629 -7.139 1.00 15.00 H new ATOM 0 HH12 ARG A 380 7.146 -8.615 -5.751 1.00 15.00 H new ATOM 0 HH21 ARG A 380 7.633 -5.854 -3.609 1.00 15.00 H new ATOM 0 HH22 ARG A 380 7.687 -7.614 -3.759 1.00 15.00 H new ATOM 250 N THR A 381 1.431 -4.312 -6.293 1.00 15.00 N ATOM 251 CA THR A 381 0.179 -3.818 -5.750 1.00 15.00 C ATOM 252 C THR A 381 0.286 -3.604 -4.244 1.00 15.00 C ATOM 253 O THR A 381 0.022 -4.515 -3.459 1.00 15.00 O ATOM 254 CB THR A 381 -0.970 -4.804 -6.041 1.00 15.00 C ATOM 255 OG1 THR A 381 -0.605 -6.120 -5.599 1.00 15.00 O ATOM 256 CG2 THR A 381 -1.292 -4.843 -7.526 1.00 15.00 C ATOM 0 H THR A 381 1.580 -5.313 -6.166 1.00 15.00 H new ATOM 0 HA THR A 381 -0.034 -2.864 -6.233 1.00 15.00 H new ATOM 0 HB THR A 381 -1.854 -4.464 -5.502 1.00 15.00 H new ATOM 0 HG1 THR A 381 -0.216 -6.067 -4.701 1.00 15.00 H new ATOM 0 HG21 THR A 381 -2.106 -5.546 -7.704 1.00 15.00 H new ATOM 0 HG22 THR A 381 -1.592 -3.849 -7.860 1.00 15.00 H new ATOM 0 HG23 THR A 381 -0.410 -5.161 -8.081 1.00 15.00 H new ATOM 264 N TYR A 382 0.688 -2.409 -3.838 1.00 15.00 N ATOM 265 CA TYR A 382 0.857 -2.126 -2.426 1.00 15.00 C ATOM 266 C TYR A 382 -0.144 -1.083 -1.952 1.00 15.00 C ATOM 267 O TYR A 382 -0.205 0.036 -2.467 1.00 15.00 O ATOM 268 CB TYR A 382 2.301 -1.695 -2.121 1.00 15.00 C ATOM 269 CG TYR A 382 2.827 -0.545 -2.962 1.00 15.00 C ATOM 270 CD1 TYR A 382 3.362 -0.768 -4.228 1.00 15.00 C ATOM 271 CD2 TYR A 382 2.805 0.758 -2.482 1.00 15.00 C ATOM 272 CE1 TYR A 382 3.857 0.276 -4.987 1.00 15.00 C ATOM 273 CE2 TYR A 382 3.295 1.804 -3.237 1.00 15.00 C ATOM 274 CZ TYR A 382 3.819 1.560 -4.487 1.00 15.00 C ATOM 275 OH TYR A 382 4.311 2.605 -5.234 1.00 15.00 O ATOM 0 H TYR A 382 0.901 -1.629 -4.460 1.00 15.00 H new ATOM 0 HA TYR A 382 0.661 -3.045 -1.873 1.00 15.00 H new ATOM 0 HB2 TYR A 382 2.364 -1.413 -1.070 1.00 15.00 H new ATOM 0 HB3 TYR A 382 2.956 -2.555 -2.260 1.00 15.00 H new ATOM 0 HD1 TYR A 382 3.391 -1.773 -4.623 1.00 15.00 H new ATOM 0 HD2 TYR A 382 2.398 0.956 -1.502 1.00 15.00 H new ATOM 0 HE1 TYR A 382 4.271 0.087 -5.966 1.00 15.00 H new ATOM 0 HE2 TYR A 382 3.268 2.811 -2.849 1.00 15.00 H new ATOM 0 HH TYR A 382 4.206 3.442 -4.735 1.00 15.00 H new ATOM 285 N TYR A 383 -0.949 -1.476 -0.980 1.00 15.00 N ATOM 286 CA TYR A 383 -1.900 -0.572 -0.361 1.00 15.00 C ATOM 287 C TYR A 383 -1.223 0.106 0.823 1.00 15.00 C ATOM 288 O TYR A 383 -0.941 -0.543 1.828 1.00 15.00 O ATOM 289 CB TYR A 383 -3.142 -1.335 0.124 1.00 15.00 C ATOM 290 CG TYR A 383 -3.830 -2.174 -0.938 1.00 15.00 C ATOM 291 CD1 TYR A 383 -3.260 -3.355 -1.398 1.00 15.00 C ATOM 292 CD2 TYR A 383 -5.057 -1.794 -1.463 1.00 15.00 C ATOM 293 CE1 TYR A 383 -3.887 -4.127 -2.355 1.00 15.00 C ATOM 294 CE2 TYR A 383 -5.693 -2.564 -2.419 1.00 15.00 C ATOM 295 CZ TYR A 383 -5.103 -3.729 -2.860 1.00 15.00 C ATOM 296 OH TYR A 383 -5.733 -4.497 -3.813 1.00 15.00 O ATOM 0 H TYR A 383 -0.962 -2.423 -0.601 1.00 15.00 H new ATOM 0 HA TYR A 383 -2.220 0.169 -1.093 1.00 15.00 H new ATOM 0 HB2 TYR A 383 -2.852 -1.985 0.949 1.00 15.00 H new ATOM 0 HB3 TYR A 383 -3.860 -0.617 0.521 1.00 15.00 H new ATOM 0 HD1 TYR A 383 -2.309 -3.675 -0.999 1.00 15.00 H new ATOM 0 HD2 TYR A 383 -5.523 -0.882 -1.119 1.00 15.00 H new ATOM 0 HE1 TYR A 383 -3.425 -5.038 -2.705 1.00 15.00 H new ATOM 0 HE2 TYR A 383 -6.647 -2.254 -2.818 1.00 15.00 H new ATOM 0 HH TYR A 383 -6.582 -4.077 -4.063 1.00 15.00 H new ATOM 306 N VAL A 384 -0.912 1.387 0.690 1.00 15.00 N ATOM 307 CA VAL A 384 -0.210 2.098 1.750 1.00 15.00 C ATOM 308 C VAL A 384 -1.122 3.104 2.445 1.00 15.00 C ATOM 309 O VAL A 384 -1.700 3.992 1.816 1.00 15.00 O ATOM 310 CB VAL A 384 1.071 2.802 1.241 1.00 15.00 C ATOM 311 CG1 VAL A 384 2.130 1.786 0.859 1.00 15.00 C ATOM 312 CG2 VAL A 384 0.784 3.713 0.066 1.00 15.00 C ATOM 0 H VAL A 384 -1.131 1.951 -0.131 1.00 15.00 H new ATOM 0 HA VAL A 384 0.094 1.343 2.475 1.00 15.00 H new ATOM 0 HB VAL A 384 1.445 3.416 2.061 1.00 15.00 H new ATOM 0 HG11 VAL A 384 3.021 2.305 0.504 1.00 15.00 H new ATOM 0 HG12 VAL A 384 2.385 1.181 1.729 1.00 15.00 H new ATOM 0 HG13 VAL A 384 1.747 1.141 0.068 1.00 15.00 H new ATOM 0 HG21 VAL A 384 1.709 4.188 -0.261 1.00 15.00 H new ATOM 0 HG22 VAL A 384 0.367 3.129 -0.754 1.00 15.00 H new ATOM 0 HG23 VAL A 384 0.069 4.479 0.366 1.00 15.00 H new ATOM 322 N ASN A 385 -1.255 2.942 3.749 1.00 15.00 N ATOM 323 CA ASN A 385 -2.136 3.780 4.548 1.00 15.00 C ATOM 324 C ASN A 385 -1.362 4.894 5.235 1.00 15.00 C ATOM 325 O ASN A 385 -0.419 4.630 5.984 1.00 15.00 O ATOM 326 CB ASN A 385 -2.858 2.928 5.589 1.00 15.00 C ATOM 327 CG ASN A 385 -3.803 3.736 6.458 1.00 15.00 C ATOM 328 OD1 ASN A 385 -4.319 4.771 6.044 1.00 15.00 O ATOM 329 ND2 ASN A 385 -4.028 3.270 7.677 1.00 15.00 N ATOM 0 H ASN A 385 -0.758 2.229 4.284 1.00 15.00 H new ATOM 0 HA ASN A 385 -2.867 4.238 3.882 1.00 15.00 H new ATOM 0 HB2 ASN A 385 -3.419 2.143 5.083 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -2.121 2.435 6.223 1.00 15.00 H new ATOM 0 HD21 ASN A 385 -4.649 3.775 8.309 1.00 15.00 H new ATOM 0 HD22 ASN A 385 -3.580 2.406 7.984 1.00 15.00 H new ATOM 336 N HIS A 386 -1.790 6.133 4.993 1.00 15.00 N ATOM 337 CA HIS A 386 -1.164 7.306 5.599 1.00 15.00 C ATOM 338 C HIS A 386 -1.570 7.447 7.059 1.00 15.00 C ATOM 339 O HIS A 386 -0.885 8.104 7.840 1.00 15.00 O ATOM 340 CB HIS A 386 -1.560 8.594 4.868 1.00 15.00 C ATOM 341 CG HIS A 386 -0.908 8.803 3.536 1.00 15.00 C ATOM 342 ND1 HIS A 386 0.239 9.547 3.374 1.00 15.00 N ATOM 343 CD2 HIS A 386 -1.282 8.415 2.295 1.00 15.00 C ATOM 344 CE1 HIS A 386 0.542 9.612 2.091 1.00 15.00 C ATOM 345 NE2 HIS A 386 -0.367 8.933 1.411 1.00 15.00 N ATOM 0 H HIS A 386 -2.573 6.350 4.377 1.00 15.00 H new ATOM 0 HA HIS A 386 -0.087 7.159 5.522 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -2.641 8.595 4.728 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -1.321 9.443 5.508 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -2.141 7.810 2.046 1.00 15.00 H new ATOM 0 HE1 HIS A 386 1.389 10.132 1.668 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.385 8.814 0.398 1.00 15.00 H new ATOM 354 N ASN A 387 -2.703 6.850 7.409 1.00 15.00 N ATOM 355 CA ASN A 387 -3.260 6.983 8.754 1.00 15.00 C ATOM 356 C ASN A 387 -2.298 6.458 9.806 1.00 15.00 C ATOM 357 O ASN A 387 -1.840 7.205 10.668 1.00 15.00 O ATOM 358 CB ASN A 387 -4.590 6.231 8.864 1.00 15.00 C ATOM 359 CG ASN A 387 -5.724 6.916 8.122 1.00 15.00 C ATOM 360 OD1 ASN A 387 -5.735 8.135 7.960 1.00 15.00 O ATOM 361 ND2 ASN A 387 -6.688 6.130 7.667 1.00 15.00 N ATOM 0 H ASN A 387 -3.256 6.268 6.781 1.00 15.00 H new ATOM 0 HA ASN A 387 -3.427 8.045 8.932 1.00 15.00 H new ATOM 0 HB2 ASN A 387 -4.464 5.222 8.471 1.00 15.00 H new ATOM 0 HB3 ASN A 387 -4.859 6.132 9.916 1.00 15.00 H new ATOM 0 HD21 ASN A 387 -7.477 6.532 7.161 1.00 15.00 H new ATOM 0 HD22 ASN A 387 -6.641 5.123 7.823 1.00 15.00 H new ATOM 368 N ASN A 388 -1.990 5.174 9.723 1.00 15.00 N ATOM 369 CA ASN A 388 -1.157 4.519 10.721 1.00 15.00 C ATOM 370 C ASN A 388 0.235 4.220 10.168 1.00 15.00 C ATOM 371 O ASN A 388 1.143 3.873 10.922 1.00 15.00 O ATOM 372 CB ASN A 388 -1.833 3.242 11.237 1.00 15.00 C ATOM 373 CG ASN A 388 -1.836 2.103 10.236 1.00 15.00 C ATOM 374 OD1 ASN A 388 -1.819 2.311 9.021 1.00 15.00 O ATOM 375 ND2 ASN A 388 -1.885 0.886 10.746 1.00 15.00 N ATOM 0 H ASN A 388 -2.306 4.561 8.971 1.00 15.00 H new ATOM 0 HA ASN A 388 -1.037 5.202 11.562 1.00 15.00 H new ATOM 0 HB2 ASN A 388 -1.325 2.915 12.144 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -2.862 3.473 11.513 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -1.910 0.075 10.128 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -1.897 0.757 11.758 1.00 15.00 H new ATOM 382 N ARG A 389 0.365 4.319 8.843 1.00 15.00 N ATOM 383 CA ARG A 389 1.615 4.035 8.130 1.00 15.00 C ATOM 384 C ARG A 389 1.861 2.536 8.038 1.00 15.00 C ATOM 385 O ARG A 389 2.720 1.983 8.725 1.00 15.00 O ATOM 386 CB ARG A 389 2.843 4.746 8.730 1.00 15.00 C ATOM 387 CG ARG A 389 2.901 6.247 8.465 1.00 15.00 C ATOM 388 CD ARG A 389 2.013 7.027 9.422 1.00 15.00 C ATOM 389 NE ARG A 389 2.395 6.809 10.820 1.00 15.00 N ATOM 390 CZ ARG A 389 1.767 7.357 11.861 1.00 15.00 C ATOM 391 NH1 ARG A 389 0.753 8.189 11.668 1.00 15.00 N1+ ATOM 392 NH2 ARG A 389 2.163 7.075 13.095 1.00 15.00 N ATOM 0 H ARG A 389 -0.399 4.601 8.229 1.00 15.00 H new ATOM 0 HA ARG A 389 1.484 4.441 7.127 1.00 15.00 H new ATOM 0 HB2 ARG A 389 2.852 4.580 9.807 1.00 15.00 H new ATOM 0 HB3 ARG A 389 3.745 4.285 8.329 1.00 15.00 H new ATOM 0 HG2 ARG A 389 3.930 6.593 8.561 1.00 15.00 H new ATOM 0 HG3 ARG A 389 2.592 6.447 7.439 1.00 15.00 H new ATOM 0 HD2 ARG A 389 2.075 8.090 9.190 1.00 15.00 H new ATOM 0 HD3 ARG A 389 0.974 6.729 9.278 1.00 15.00 H new ATOM 0 HE ARG A 389 3.191 6.200 11.009 1.00 15.00 H new ATOM 0 HH11 ARG A 389 0.450 8.412 10.720 1.00 15.00 H new ATOM 0 HH12 ARG A 389 0.276 8.606 12.467 1.00 15.00 H new ATOM 0 HH21 ARG A 389 2.947 6.440 13.247 1.00 15.00 H new ATOM 0 HH22 ARG A 389 1.684 7.493 13.892 1.00 15.00 H new ATOM 406 N THR A 390 1.051 1.873 7.229 1.00 15.00 N ATOM 407 CA THR A 390 1.187 0.442 7.023 1.00 15.00 C ATOM 408 C THR A 390 0.834 0.086 5.585 1.00 15.00 C ATOM 409 O THR A 390 0.045 0.780 4.946 1.00 15.00 O ATOM 410 CB THR A 390 0.312 -0.376 8.005 1.00 15.00 C ATOM 411 OG1 THR A 390 0.876 -1.680 8.182 1.00 15.00 O ATOM 412 CG2 THR A 390 -1.123 -0.517 7.509 1.00 15.00 C ATOM 0 H THR A 390 0.291 2.305 6.703 1.00 15.00 H new ATOM 0 HA THR A 390 2.227 0.181 7.220 1.00 15.00 H new ATOM 0 HB THR A 390 0.292 0.163 8.952 1.00 15.00 H new ATOM 0 HG1 THR A 390 0.321 -2.194 8.805 1.00 15.00 H new ATOM 0 HG21 THR A 390 -1.701 -1.097 8.228 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.569 0.472 7.399 1.00 15.00 H new ATOM 0 HG23 THR A 390 -1.126 -1.026 6.545 1.00 15.00 H new ATOM 420 N THR A 391 1.446 -0.965 5.065 1.00 15.00 N ATOM 421 CA THR A 391 1.178 -1.395 3.705 1.00 15.00 C ATOM 422 C THR A 391 0.986 -2.911 3.639 1.00 15.00 C ATOM 423 O THR A 391 1.580 -3.660 4.418 1.00 15.00 O ATOM 424 CB THR A 391 2.300 -0.945 2.740 1.00 15.00 C ATOM 425 OG1 THR A 391 2.054 -1.441 1.418 1.00 15.00 O ATOM 426 CG2 THR A 391 3.667 -1.402 3.224 1.00 15.00 C ATOM 0 H THR A 391 2.130 -1.534 5.564 1.00 15.00 H new ATOM 0 HA THR A 391 0.251 -0.918 3.386 1.00 15.00 H new ATOM 0 HB THR A 391 2.298 0.145 2.717 1.00 15.00 H new ATOM 0 HG1 THR A 391 1.114 -1.296 1.184 1.00 15.00 H new ATOM 0 HG21 THR A 391 4.432 -1.069 2.522 1.00 15.00 H new ATOM 0 HG22 THR A 391 3.866 -0.976 4.207 1.00 15.00 H new ATOM 0 HG23 THR A 391 3.685 -2.490 3.290 1.00 15.00 H new ATOM 434 N THR A 392 0.134 -3.348 2.720 1.00 15.00 N ATOM 435 CA THR A 392 -0.213 -4.752 2.586 1.00 15.00 C ATOM 436 C THR A 392 -0.503 -5.102 1.128 1.00 15.00 C ATOM 437 O THR A 392 -0.911 -4.240 0.347 1.00 15.00 O ATOM 438 CB THR A 392 -1.437 -5.111 3.460 1.00 15.00 C ATOM 439 OG1 THR A 392 -1.757 -6.502 3.316 1.00 15.00 O ATOM 440 CG2 THR A 392 -2.648 -4.263 3.085 1.00 15.00 C ATOM 0 H THR A 392 -0.334 -2.738 2.049 1.00 15.00 H new ATOM 0 HA THR A 392 0.643 -5.334 2.928 1.00 15.00 H new ATOM 0 HB THR A 392 -1.180 -4.904 4.499 1.00 15.00 H new ATOM 0 HG1 THR A 392 -2.532 -6.719 3.875 1.00 15.00 H new ATOM 0 HG21 THR A 392 -3.494 -4.537 3.716 1.00 15.00 H new ATOM 0 HG22 THR A 392 -2.413 -3.209 3.231 1.00 15.00 H new ATOM 0 HG23 THR A 392 -2.904 -4.436 2.040 1.00 15.00 H new ATOM 448 N TRP A 393 -0.236 -6.353 0.754 1.00 15.00 N ATOM 449 CA TRP A 393 -0.563 -6.841 -0.584 1.00 15.00 C ATOM 450 C TRP A 393 -2.030 -7.261 -0.654 1.00 15.00 C ATOM 451 O TRP A 393 -2.558 -7.535 -1.732 1.00 15.00 O ATOM 452 CB TRP A 393 0.296 -8.052 -0.968 1.00 15.00 C ATOM 453 CG TRP A 393 1.772 -7.854 -0.822 1.00 15.00 C ATOM 454 CD1 TRP A 393 2.585 -8.456 0.095 1.00 15.00 C ATOM 455 CD2 TRP A 393 2.619 -7.012 -1.616 1.00 15.00 C ATOM 456 NE1 TRP A 393 3.878 -8.047 -0.084 1.00 15.00 N ATOM 457 CE2 TRP A 393 3.925 -7.158 -1.123 1.00 15.00 C ATOM 458 CE3 TRP A 393 2.403 -6.150 -2.693 1.00 15.00 C ATOM 459 CZ2 TRP A 393 5.009 -6.478 -1.662 1.00 15.00 C ATOM 460 CZ3 TRP A 393 3.482 -5.471 -3.231 1.00 15.00 C ATOM 461 CH2 TRP A 393 4.771 -5.639 -2.714 1.00 15.00 C ATOM 0 H TRP A 393 0.205 -7.046 1.359 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.366 -6.023 -1.277 1.00 15.00 H new ATOM 0 HB2 TRP A 393 -0.004 -8.900 -0.353 1.00 15.00 H new ATOM 0 HB3 TRP A 393 0.081 -8.317 -2.003 1.00 15.00 H new ATOM 0 HD1 TRP A 393 2.255 -9.153 0.851 1.00 15.00 H new ATOM 0 HE1 TRP A 393 4.678 -8.355 0.468 1.00 15.00 H new ATOM 0 HE3 TRP A 393 1.411 -6.016 -3.099 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 6.005 -6.608 -1.264 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 3.327 -4.801 -4.063 1.00 15.00 H new ATOM 0 HH2 TRP A 393 5.594 -5.095 -3.155 1.00 15.00 H new ATOM 472 N THR A 394 -2.670 -7.339 0.504 1.00 15.00 N ATOM 473 CA THR A 394 -4.034 -7.836 0.593 1.00 15.00 C ATOM 474 C THR A 394 -5.043 -6.701 0.430 1.00 15.00 C ATOM 475 O THR A 394 -4.817 -5.585 0.899 1.00 15.00 O ATOM 476 CB THR A 394 -4.259 -8.540 1.948 1.00 15.00 C ATOM 477 OG1 THR A 394 -3.202 -9.483 2.186 1.00 15.00 O ATOM 478 CG2 THR A 394 -5.596 -9.267 1.978 1.00 15.00 C ATOM 0 H THR A 394 -2.264 -7.063 1.398 1.00 15.00 H new ATOM 0 HA THR A 394 -4.184 -8.552 -0.215 1.00 15.00 H new ATOM 0 HB THR A 394 -4.263 -7.777 2.727 1.00 15.00 H new ATOM 0 HG1 THR A 394 -3.347 -9.927 3.048 1.00 15.00 H new ATOM 0 HG21 THR A 394 -5.725 -9.753 2.945 1.00 15.00 H new ATOM 0 HG22 THR A 394 -6.403 -8.551 1.821 1.00 15.00 H new ATOM 0 HG23 THR A 394 -5.619 -10.019 1.189 1.00 15.00 H new ATOM 486 N ARG A 395 -6.147 -6.986 -0.255 1.00 15.00 N ATOM 487 CA ARG A 395 -7.211 -6.006 -0.439 1.00 15.00 C ATOM 488 C ARG A 395 -7.985 -5.796 0.862 1.00 15.00 C ATOM 489 O ARG A 395 -8.581 -6.732 1.388 1.00 15.00 O ATOM 490 CB ARG A 395 -8.174 -6.461 -1.541 1.00 15.00 C ATOM 491 CG ARG A 395 -9.336 -5.508 -1.763 1.00 15.00 C ATOM 492 CD ARG A 395 -8.844 -4.150 -2.224 1.00 15.00 C ATOM 493 NE ARG A 395 -9.515 -3.053 -1.537 1.00 15.00 N ATOM 494 CZ ARG A 395 -9.328 -1.779 -1.856 1.00 15.00 C ATOM 495 NH1 ARG A 395 -8.657 -1.468 -2.956 1.00 15.00 N1+ ATOM 496 NH2 ARG A 395 -9.848 -0.817 -1.113 1.00 15.00 N ATOM 0 H ARG A 395 -6.327 -7.890 -0.692 1.00 15.00 H new ATOM 0 HA ARG A 395 -6.751 -5.062 -0.732 1.00 15.00 H new ATOM 0 HB2 ARG A 395 -7.621 -6.570 -2.474 1.00 15.00 H new ATOM 0 HB3 ARG A 395 -8.566 -7.446 -1.286 1.00 15.00 H new ATOM 0 HG2 ARG A 395 -10.016 -5.924 -2.507 1.00 15.00 H new ATOM 0 HG3 ARG A 395 -9.903 -5.399 -0.839 1.00 15.00 H new ATOM 0 HD2 ARG A 395 -7.770 -4.079 -2.054 1.00 15.00 H new ATOM 0 HD3 ARG A 395 -9.003 -4.054 -3.298 1.00 15.00 H new ATOM 0 HE ARG A 395 -10.157 -3.275 -0.777 1.00 15.00 H new ATOM 0 HH11 ARG A 395 -8.287 -2.207 -3.554 1.00 15.00 H new ATOM 0 HH12 ARG A 395 -8.511 -0.490 -3.205 1.00 15.00 H new ATOM 0 HH21 ARG A 395 -10.398 -1.052 -0.287 1.00 15.00 H new ATOM 0 HH22 ARG A 395 -9.699 0.160 -1.366 1.00 15.00 H new ATOM 510 N PRO A 396 -7.971 -4.569 1.406 1.00 15.00 N ATOM 511 CA PRO A 396 -8.773 -4.225 2.578 1.00 15.00 C ATOM 512 C PRO A 396 -10.254 -4.082 2.229 1.00 15.00 C ATOM 513 O PRO A 396 -10.620 -3.340 1.311 1.00 15.00 O ATOM 514 CB PRO A 396 -8.190 -2.882 3.028 1.00 15.00 C ATOM 515 CG PRO A 396 -7.617 -2.281 1.792 1.00 15.00 C ATOM 516 CD PRO A 396 -7.155 -3.431 0.938 1.00 15.00 C ATOM 0 HA PRO A 396 -8.732 -4.994 3.349 1.00 15.00 H new ATOM 0 HB2 PRO A 396 -8.960 -2.242 3.459 1.00 15.00 H new ATOM 0 HB3 PRO A 396 -7.425 -3.019 3.792 1.00 15.00 H new ATOM 0 HG2 PRO A 396 -8.363 -1.683 1.268 1.00 15.00 H new ATOM 0 HG3 PRO A 396 -6.787 -1.617 2.032 1.00 15.00 H new ATOM 0 HD2 PRO A 396 -7.316 -3.232 -0.122 1.00 15.00 H new ATOM 0 HD3 PRO A 396 -6.090 -3.623 1.068 1.00 15.00 H new ATOM 524 N ILE A 397 -11.092 -4.825 2.936 1.00 15.00 N ATOM 525 CA ILE A 397 -12.535 -4.747 2.743 1.00 15.00 C ATOM 526 C ILE A 397 -13.127 -3.690 3.669 1.00 15.00 C ATOM 527 O ILE A 397 -13.840 -2.787 3.230 1.00 15.00 O ATOM 528 CB ILE A 397 -13.242 -6.105 3.005 1.00 15.00 C ATOM 529 CG1 ILE A 397 -12.798 -7.173 1.998 1.00 15.00 C ATOM 530 CG2 ILE A 397 -14.756 -5.943 2.954 1.00 15.00 C ATOM 531 CD1 ILE A 397 -11.449 -7.789 2.301 1.00 15.00 C ATOM 0 H ILE A 397 -10.798 -5.491 3.651 1.00 15.00 H new ATOM 0 HA ILE A 397 -12.703 -4.478 1.700 1.00 15.00 H new ATOM 0 HB ILE A 397 -12.953 -6.435 4.003 1.00 15.00 H new ATOM 0 HG12 ILE A 397 -13.548 -7.964 1.970 1.00 15.00 H new ATOM 0 HG13 ILE A 397 -12.766 -6.728 1.004 1.00 15.00 H new ATOM 0 HG21 ILE A 397 -15.231 -6.906 3.140 1.00 15.00 H new ATOM 0 HG22 ILE A 397 -15.071 -5.229 3.715 1.00 15.00 H new ATOM 0 HG23 ILE A 397 -15.050 -5.577 1.970 1.00 15.00 H new ATOM 0 HD11 ILE A 397 -11.210 -8.534 1.542 1.00 15.00 H new ATOM 0 HD12 ILE A 397 -10.685 -7.011 2.299 1.00 15.00 H new ATOM 0 HD13 ILE A 397 -11.479 -8.266 3.280 1.00 15.00 H new ATOM 543 N GLY A 398 -12.824 -3.816 4.953 1.00 15.00 N ATOM 544 CA GLY A 398 -13.329 -2.884 5.934 1.00 15.00 C ATOM 545 C GLY A 398 -12.393 -1.714 6.129 1.00 15.00 C ATOM 546 O GLY A 398 -11.176 -1.891 5.912 1.00 15.00 O ATOM 547 OXT GLY A 398 -12.868 -0.629 6.524 1.00 15.00 O ATOM 0 H GLY A 398 -12.232 -4.555 5.333 1.00 15.00 H new ATOM 0 HA2 GLY A 398 -14.307 -2.519 5.619 1.00 15.00 H new ATOM 0 HA3 GLY A 398 -13.471 -3.398 6.885 1.00 15.00 H new TER 551 GLY A 398 ATOM 552 N GLU B 203 -0.324 -11.115 -2.392 1.00 15.00 N ATOM 553 CA GLU B 203 0.303 -11.538 -3.667 1.00 15.00 C ATOM 554 C GLU B 203 1.416 -12.557 -3.427 1.00 15.00 C ATOM 555 O GLU B 203 2.174 -12.870 -4.346 1.00 15.00 O ATOM 556 CB GLU B 203 0.871 -10.319 -4.400 1.00 15.00 C ATOM 557 CG GLU B 203 -0.145 -9.211 -4.615 1.00 15.00 C ATOM 558 CD GLU B 203 -1.443 -9.728 -5.193 1.00 15.00 C ATOM 559 OE1 GLU B 203 -2.336 -10.094 -4.401 1.00 15.00 O ATOM 560 OE2 GLU B 203 -1.567 -9.793 -6.433 1.00 15.00 O1- ATOM 0 HA GLU B 203 -0.466 -12.009 -4.279 1.00 15.00 H new ATOM 0 HB2 GLU B 203 1.713 -9.923 -3.832 1.00 15.00 H new ATOM 0 HB3 GLU B 203 1.261 -10.636 -5.367 1.00 15.00 H new ATOM 0 HG2 GLU B 203 -0.345 -8.715 -3.665 1.00 15.00 H new ATOM 0 HG3 GLU B 203 0.275 -8.461 -5.285 1.00 15.00 H new ATOM 569 N LEU B 204 1.507 -13.077 -2.194 1.00 15.00 N ATOM 570 CA LEU B 204 2.537 -14.063 -1.829 1.00 15.00 C ATOM 571 C LEU B 204 3.939 -13.462 -1.939 1.00 15.00 C ATOM 572 O LEU B 204 4.940 -14.177 -1.922 1.00 15.00 O ATOM 573 CB LEU B 204 2.433 -15.327 -2.704 1.00 15.00 C ATOM 574 CG LEU B 204 1.288 -16.294 -2.359 1.00 15.00 C ATOM 575 CD1 LEU B 204 -0.068 -15.695 -2.698 1.00 15.00 C ATOM 576 CD2 LEU B 204 1.480 -17.619 -3.082 1.00 15.00 C ATOM 0 H LEU B 204 0.878 -12.831 -1.430 1.00 15.00 H new ATOM 0 HA LEU B 204 2.362 -14.347 -0.791 1.00 15.00 H new ATOM 0 HB2 LEU B 204 2.320 -15.017 -3.743 1.00 15.00 H new ATOM 0 HB3 LEU B 204 3.375 -15.871 -2.635 1.00 15.00 H new ATOM 0 HG LEU B 204 1.312 -16.471 -1.284 1.00 15.00 H new ATOM 0 HD11 LEU B 204 -0.854 -16.405 -2.441 1.00 15.00 H new ATOM 0 HD12 LEU B 204 -0.211 -14.775 -2.131 1.00 15.00 H new ATOM 0 HD13 LEU B 204 -0.112 -15.475 -3.765 1.00 15.00 H new ATOM 0 HD21 LEU B 204 0.662 -18.294 -2.828 1.00 15.00 H new ATOM 0 HD22 LEU B 204 1.489 -17.448 -4.158 1.00 15.00 H new ATOM 0 HD23 LEU B 204 2.427 -18.066 -2.778 1.00 15.00 H new ATOM 588 N GLU B 205 3.998 -12.139 -2.008 1.00 15.00 N ATOM 589 CA GLU B 205 5.255 -11.423 -2.156 1.00 15.00 C ATOM 590 C GLU B 205 5.805 -11.013 -0.802 1.00 15.00 C ATOM 591 O GLU B 205 5.044 -10.808 0.147 1.00 15.00 O ATOM 592 CB GLU B 205 5.047 -10.177 -3.017 1.00 15.00 C ATOM 593 CG GLU B 205 4.872 -10.480 -4.494 1.00 15.00 C ATOM 594 CD GLU B 205 6.129 -11.057 -5.105 1.00 15.00 C ATOM 595 OE1 GLU B 205 7.033 -10.272 -5.460 1.00 15.00 O1- ATOM 596 OE2 GLU B 205 6.223 -12.299 -5.216 1.00 15.00 O ATOM 0 H GLU B 205 3.178 -11.535 -1.963 1.00 15.00 H new ATOM 0 HA GLU B 205 5.971 -12.088 -2.639 1.00 15.00 H new ATOM 0 HB2 GLU B 205 4.169 -9.641 -2.658 1.00 15.00 H new ATOM 0 HB3 GLU B 205 5.901 -9.511 -2.890 1.00 15.00 H new ATOM 0 HG2 GLU B 205 4.049 -11.183 -4.625 1.00 15.00 H new ATOM 0 HG3 GLU B 205 4.598 -9.566 -5.022 1.00 15.00 H new ATOM 603 N SER B 206 7.124 -10.884 -0.730 1.00 15.00 N ATOM 604 CA SER B 206 7.788 -10.348 0.449 1.00 15.00 C ATOM 605 C SER B 206 7.179 -8.996 0.822 1.00 15.00 C ATOM 606 O SER B 206 6.769 -8.243 -0.058 1.00 15.00 O ATOM 607 CB SER B 206 9.277 -10.178 0.153 1.00 15.00 C ATOM 608 OG SER B 206 9.800 -11.328 -0.491 1.00 15.00 O ATOM 0 H SER B 206 7.760 -11.147 -1.483 1.00 15.00 H new ATOM 0 HA SER B 206 7.656 -11.037 1.283 1.00 15.00 H new ATOM 0 HB2 SER B 206 9.429 -9.302 -0.478 1.00 15.00 H new ATOM 0 HB3 SER B 206 9.818 -9.999 1.082 1.00 15.00 H new ATOM 0 HG SER B 206 10.754 -11.196 -0.672 1.00 15.00 H new ATOM 614 N PRO B 207 7.135 -8.668 2.125 1.00 15.00 N ATOM 615 CA PRO B 207 6.523 -7.424 2.621 1.00 15.00 C ATOM 616 C PRO B 207 6.987 -6.181 1.858 1.00 15.00 C ATOM 617 O PRO B 207 8.182 -6.023 1.591 1.00 15.00 O ATOM 618 CB PRO B 207 7.001 -7.367 4.070 1.00 15.00 C ATOM 619 CG PRO B 207 7.157 -8.792 4.453 1.00 15.00 C ATOM 620 CD PRO B 207 7.667 -9.489 3.226 1.00 15.00 C ATOM 0 HA PRO B 207 5.440 -7.429 2.502 1.00 15.00 H new ATOM 0 HB2 PRO B 207 7.942 -6.825 4.159 1.00 15.00 H new ATOM 0 HB3 PRO B 207 6.279 -6.859 4.709 1.00 15.00 H new ATOM 0 HG2 PRO B 207 7.855 -8.900 5.283 1.00 15.00 H new ATOM 0 HG3 PRO B 207 6.207 -9.216 4.778 1.00 15.00 H new ATOM 0 HD2 PRO B 207 8.756 -9.528 3.209 1.00 15.00 H new ATOM 0 HD3 PRO B 207 7.310 -10.517 3.170 1.00 15.00 H new ATOM 628 N PRO B 208 6.039 -5.290 1.491 1.00 15.00 N ATOM 629 CA PRO B 208 6.333 -4.071 0.723 1.00 15.00 C ATOM 630 C PRO B 208 7.429 -3.212 1.333 1.00 15.00 C ATOM 631 O PRO B 208 7.721 -3.301 2.530 1.00 15.00 O ATOM 632 CB PRO B 208 5.013 -3.303 0.759 1.00 15.00 C ATOM 633 CG PRO B 208 3.984 -4.352 0.891 1.00 15.00 C ATOM 634 CD PRO B 208 4.591 -5.403 1.777 1.00 15.00 C ATOM 0 HA PRO B 208 6.694 -4.322 -0.274 1.00 15.00 H new ATOM 0 HB2 PRO B 208 4.981 -2.607 1.597 1.00 15.00 H new ATOM 0 HB3 PRO B 208 4.869 -2.717 -0.149 1.00 15.00 H new ATOM 0 HG2 PRO B 208 3.069 -3.951 1.328 1.00 15.00 H new ATOM 0 HG3 PRO B 208 3.718 -4.765 -0.082 1.00 15.00 H new ATOM 0 HD2 PRO B 208 4.373 -5.218 2.829 1.00 15.00 H new ATOM 0 HD3 PRO B 208 4.210 -6.397 1.542 1.00 15.00 H new ATOM 642 N PRO B 209 8.017 -2.337 0.506 1.00 15.00 N ATOM 643 CA PRO B 209 9.043 -1.389 0.942 1.00 15.00 C ATOM 644 C PRO B 209 8.570 -0.580 2.148 1.00 15.00 C ATOM 645 O PRO B 209 7.467 -0.031 2.131 1.00 15.00 O ATOM 646 CB PRO B 209 9.224 -0.488 -0.284 1.00 15.00 C ATOM 647 CG PRO B 209 8.829 -1.345 -1.435 1.00 15.00 C ATOM 648 CD PRO B 209 7.704 -2.193 -0.929 1.00 15.00 C ATOM 0 HA PRO B 209 9.965 -1.875 1.261 1.00 15.00 H new ATOM 0 HB2 PRO B 209 8.599 0.402 -0.219 1.00 15.00 H new ATOM 0 HB3 PRO B 209 10.255 -0.147 -0.378 1.00 15.00 H new ATOM 0 HG2 PRO B 209 8.514 -0.740 -2.286 1.00 15.00 H new ATOM 0 HG3 PRO B 209 9.664 -1.959 -1.772 1.00 15.00 H new ATOM 0 HD2 PRO B 209 6.737 -1.716 -1.085 1.00 15.00 H new ATOM 0 HD3 PRO B 209 7.668 -3.159 -1.433 1.00 15.00 H new ATOM 656 N PRO B 210 9.393 -0.516 3.215 1.00 15.00 N ATOM 657 CA PRO B 210 9.023 0.158 4.465 1.00 15.00 C ATOM 658 C PRO B 210 8.464 1.559 4.233 1.00 15.00 C ATOM 659 O PRO B 210 9.138 2.432 3.690 1.00 15.00 O ATOM 660 CB PRO B 210 10.341 0.229 5.232 1.00 15.00 C ATOM 661 CG PRO B 210 11.138 -0.920 4.722 1.00 15.00 C ATOM 662 CD PRO B 210 10.744 -1.101 3.282 1.00 15.00 C ATOM 0 HA PRO B 210 8.233 -0.375 4.994 1.00 15.00 H new ATOM 0 HB2 PRO B 210 10.852 1.175 5.054 1.00 15.00 H new ATOM 0 HB3 PRO B 210 10.178 0.152 6.307 1.00 15.00 H new ATOM 0 HG2 PRO B 210 12.206 -0.722 4.811 1.00 15.00 H new ATOM 0 HG3 PRO B 210 10.932 -1.822 5.298 1.00 15.00 H new ATOM 0 HD2 PRO B 210 11.435 -0.592 2.610 1.00 15.00 H new ATOM 0 HD3 PRO B 210 10.740 -2.153 2.997 1.00 15.00 H new ATOM 670 N TYR B 211 7.228 1.759 4.665 1.00 15.00 N ATOM 671 CA TYR B 211 6.518 3.000 4.408 1.00 15.00 C ATOM 672 C TYR B 211 6.905 4.065 5.422 1.00 15.00 C ATOM 673 O TYR B 211 6.702 3.896 6.625 1.00 15.00 O ATOM 674 CB TYR B 211 5.010 2.745 4.453 1.00 15.00 C ATOM 675 CG TYR B 211 4.183 3.887 3.911 1.00 15.00 C ATOM 676 CD1 TYR B 211 4.225 4.210 2.562 1.00 15.00 C ATOM 677 CD2 TYR B 211 3.349 4.627 4.739 1.00 15.00 C ATOM 678 CE1 TYR B 211 3.462 5.237 2.053 1.00 15.00 C ATOM 679 CE2 TYR B 211 2.583 5.661 4.237 1.00 15.00 C ATOM 680 CZ TYR B 211 2.643 5.958 2.891 1.00 15.00 C ATOM 681 OH TYR B 211 1.875 6.973 2.383 1.00 15.00 O ATOM 0 H TYR B 211 6.694 1.072 5.198 1.00 15.00 H new ATOM 0 HA TYR B 211 6.793 3.364 3.418 1.00 15.00 H new ATOM 0 HB2 TYR B 211 4.786 1.844 3.883 1.00 15.00 H new ATOM 0 HB3 TYR B 211 4.714 2.552 5.484 1.00 15.00 H new ATOM 0 HD1 TYR B 211 4.867 3.647 1.901 1.00 15.00 H new ATOM 0 HD2 TYR B 211 3.299 4.390 5.792 1.00 15.00 H new ATOM 0 HE1 TYR B 211 3.506 5.475 1.001 1.00 15.00 H new ATOM 0 HE2 TYR B 211 1.942 6.232 4.893 1.00 15.00 H new ATOM 0 HH TYR B 211 1.056 7.060 2.914 1.00 15.00 H new ATOM 691 N SER B 212 7.468 5.159 4.932 1.00 15.00 N ATOM 692 CA SER B 212 7.885 6.248 5.800 1.00 15.00 C ATOM 693 C SER B 212 6.963 7.456 5.630 1.00 15.00 C ATOM 694 O SER B 212 6.103 7.709 6.473 1.00 15.00 O ATOM 695 CB SER B 212 9.338 6.627 5.507 1.00 15.00 C ATOM 696 OG SER B 212 9.813 7.615 6.412 1.00 15.00 O ATOM 0 H SER B 212 7.646 5.316 3.940 1.00 15.00 H new ATOM 0 HA SER B 212 7.816 5.916 6.836 1.00 15.00 H new ATOM 0 HB2 SER B 212 9.967 5.739 5.574 1.00 15.00 H new ATOM 0 HB3 SER B 212 9.419 6.999 4.486 1.00 15.00 H new ATOM 0 HG SER B 212 10.744 7.833 6.199 1.00 15.00 H new ATOM 702 N ARG B 213 7.118 8.182 4.524 1.00 15.00 N ATOM 703 CA ARG B 213 6.302 9.369 4.277 1.00 15.00 C ATOM 704 C ARG B 213 5.471 9.215 3.012 1.00 15.00 C ATOM 705 O ARG B 213 4.254 9.390 3.033 1.00 15.00 O ATOM 706 CB ARG B 213 7.176 10.621 4.156 1.00 15.00 C ATOM 707 CG ARG B 213 7.948 10.967 5.419 1.00 15.00 C ATOM 708 CD ARG B 213 8.771 12.230 5.227 1.00 15.00 C ATOM 709 NE ARG B 213 9.760 12.085 4.158 1.00 15.00 N ATOM 710 CZ ARG B 213 10.052 13.035 3.271 1.00 15.00 C ATOM 711 NH1 ARG B 213 9.441 14.213 3.322 1.00 15.00 N1+ ATOM 712 NH2 ARG B 213 10.961 12.804 2.334 1.00 15.00 N ATOM 0 H ARG B 213 7.795 7.972 3.791 1.00 15.00 H new ATOM 0 HA ARG B 213 5.632 9.479 5.130 1.00 15.00 H new ATOM 0 HB2 ARG B 213 7.883 10.479 3.339 1.00 15.00 H new ATOM 0 HB3 ARG B 213 6.544 11.467 3.887 1.00 15.00 H new ATOM 0 HG2 ARG B 213 7.253 11.104 6.248 1.00 15.00 H new ATOM 0 HG3 ARG B 213 8.604 10.139 5.687 1.00 15.00 H new ATOM 0 HD2 ARG B 213 8.107 13.063 4.996 1.00 15.00 H new ATOM 0 HD3 ARG B 213 9.279 12.476 6.159 1.00 15.00 H new ATOM 0 HE ARG B 213 10.259 11.198 4.087 1.00 15.00 H new ATOM 0 HH11 ARG B 213 8.743 14.395 4.044 1.00 15.00 H new ATOM 0 HH12 ARG B 213 9.669 14.936 2.640 1.00 15.00 H new ATOM 0 HH21 ARG B 213 11.434 11.901 2.294 1.00 15.00 H new ATOM 0 HH22 ARG B 213 11.187 13.529 1.653 1.00 15.00 H new ATOM 726 N TYR B 214 6.143 8.927 1.905 1.00 15.00 N ATOM 727 CA TYR B 214 5.475 8.784 0.620 1.00 15.00 C ATOM 728 C TYR B 214 5.707 7.376 0.068 1.00 15.00 C ATOM 729 O TYR B 214 6.690 6.738 0.434 1.00 15.00 O ATOM 730 CB TYR B 214 5.998 9.837 -0.364 1.00 15.00 C ATOM 731 CG TYR B 214 5.780 11.261 0.102 1.00 15.00 C ATOM 732 CD1 TYR B 214 4.535 11.870 -0.014 1.00 15.00 C ATOM 733 CD2 TYR B 214 6.818 11.995 0.662 1.00 15.00 C ATOM 734 CE1 TYR B 214 4.333 13.170 0.415 1.00 15.00 C ATOM 735 CE2 TYR B 214 6.623 13.293 1.095 1.00 15.00 C ATOM 736 CZ TYR B 214 5.380 13.877 0.968 1.00 15.00 C ATOM 737 OH TYR B 214 5.183 15.171 1.397 1.00 15.00 O ATOM 0 H TYR B 214 7.153 8.788 1.872 1.00 15.00 H new ATOM 0 HA TYR B 214 4.404 8.936 0.755 1.00 15.00 H new ATOM 0 HB2 TYR B 214 7.064 9.675 -0.525 1.00 15.00 H new ATOM 0 HB3 TYR B 214 5.506 9.699 -1.327 1.00 15.00 H new ATOM 0 HD1 TYR B 214 3.712 11.319 -0.446 1.00 15.00 H new ATOM 0 HD2 TYR B 214 7.794 11.544 0.761 1.00 15.00 H new ATOM 0 HE1 TYR B 214 3.360 13.629 0.317 1.00 15.00 H new ATOM 0 HE2 TYR B 214 7.441 13.848 1.531 1.00 15.00 H new ATOM 0 HH TYR B 214 6.020 15.526 1.762 1.00 15.00 H new ATOM 747 N PRO B 215 4.828 6.869 -0.825 1.00 15.00 N ATOM 748 CA PRO B 215 4.968 5.520 -1.378 1.00 15.00 C ATOM 749 C PRO B 215 6.048 5.437 -2.458 1.00 15.00 C ATOM 750 O PRO B 215 5.956 6.096 -3.498 1.00 15.00 O ATOM 751 CB PRO B 215 3.590 5.220 -1.990 1.00 15.00 C ATOM 752 CG PRO B 215 2.726 6.400 -1.679 1.00 15.00 C ATOM 753 CD PRO B 215 3.646 7.544 -1.381 1.00 15.00 C ATOM 0 HA PRO B 215 5.271 4.809 -0.609 1.00 15.00 H new ATOM 0 HB2 PRO B 215 3.668 5.068 -3.067 1.00 15.00 H new ATOM 0 HB3 PRO B 215 3.168 4.307 -1.569 1.00 15.00 H new ATOM 0 HG2 PRO B 215 2.076 6.636 -2.522 1.00 15.00 H new ATOM 0 HG3 PRO B 215 2.080 6.192 -0.826 1.00 15.00 H new ATOM 0 HD2 PRO B 215 3.889 8.113 -2.278 1.00 15.00 H new ATOM 0 HD3 PRO B 215 3.206 8.243 -0.670 1.00 15.00 H new ATOM 761 N MET B 216 7.074 4.636 -2.203 1.00 15.00 N ATOM 762 CA MET B 216 8.134 4.412 -3.177 1.00 15.00 C ATOM 763 C MET B 216 8.380 2.916 -3.355 1.00 15.00 C ATOM 764 O MET B 216 8.414 2.161 -2.384 1.00 15.00 O ATOM 765 CB MET B 216 9.432 5.120 -2.758 1.00 15.00 C ATOM 766 CG MET B 216 10.128 4.521 -1.543 1.00 15.00 C ATOM 767 SD MET B 216 9.206 4.751 -0.012 1.00 15.00 S ATOM 768 CE MET B 216 10.287 3.923 1.148 1.00 15.00 C ATOM 0 H MET B 216 7.195 4.129 -1.326 1.00 15.00 H new ATOM 0 HA MET B 216 7.813 4.834 -4.129 1.00 15.00 H new ATOM 0 HB2 MET B 216 10.125 5.104 -3.599 1.00 15.00 H new ATOM 0 HB3 MET B 216 9.207 6.166 -2.550 1.00 15.00 H new ATOM 0 HG2 MET B 216 10.283 3.455 -1.710 1.00 15.00 H new ATOM 0 HG3 MET B 216 11.114 4.973 -1.437 1.00 15.00 H new ATOM 0 HE1 MET B 216 10.078 4.278 2.157 1.00 15.00 H new ATOM 0 HE2 MET B 216 10.117 2.847 1.100 1.00 15.00 H new ATOM 0 HE3 MET B 216 11.325 4.138 0.895 1.00 15.00 H new ATOM 778 N ASP B 217 8.551 2.502 -4.598 1.00 15.00 N ATOM 779 CA ASP B 217 8.801 1.101 -4.914 1.00 15.00 C ATOM 780 C ASP B 217 10.012 0.987 -5.831 1.00 15.00 C ATOM 781 O ASP B 217 9.907 1.384 -7.010 1.00 15.00 O ATOM 782 CB ASP B 217 7.567 0.465 -5.567 1.00 15.00 C ATOM 783 CG ASP B 217 7.779 -0.995 -5.930 1.00 15.00 C ATOM 784 OD1 ASP B 217 7.624 -1.866 -5.049 1.00 15.00 O1- ATOM 785 OD2 ASP B 217 8.089 -1.276 -7.108 1.00 15.00 O ATOM 786 OXT ASP B 217 11.075 0.532 -5.364 1.00 15.00 O ATOM 0 H ASP B 217 8.522 3.117 -5.411 1.00 15.00 H new ATOM 0 HA ASP B 217 9.007 0.563 -3.989 1.00 15.00 H new ATOM 0 HB2 ASP B 217 6.719 0.546 -4.887 1.00 15.00 H new ATOM 0 HB3 ASP B 217 7.309 1.024 -6.466 1.00 15.00 H new TER 791 ASP B 217