USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 287 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 392 THR OG1 : rot 171:sc= 1.01 USER MOD Set 1.2: A 394 THR OG1 : rot 77:sc= 0.77 USER MOD Set 2.1: A 385 ASN : amide:sc= -6.99! C(o=-6.5!,f=-6.9!) USER MOD Set 2.2: A 387 ASN :FLIP amide:sc= 0 X(o=-6.9,f=-6.5) USER MOD Set 2.3: A 388 ASN :FLIP amide:sc= 0.501 X(o=-6.9,f=-6.5) USER MOD Single : A 369 SER OG : rot 49:sc= 0.244 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 378 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 381 THR OG1 : rot 38:sc= 1.18 USER MOD Single : A 382 TYR OH : rot 72:sc= 2.22 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 386 HIS : no HD1:sc= -4.84! C(o=-4.8!,f=-9.3!) USER MOD Single : A 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 391 THR OG1 : rot 77:sc= -0.181! USER MOD Single : B 184 TYR OH : rot -169:sc= -3.49! USER MOD Single : B 186 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 368 8.052 -2.995 3.119 1.00 15.00 N ATOM 28 CA PRO A 368 8.295 -2.732 4.521 1.00 15.00 C ATOM 29 C PRO A 368 7.423 -3.586 5.425 1.00 15.00 C ATOM 30 O PRO A 368 6.261 -3.877 5.125 1.00 15.00 O ATOM 31 CB PRO A 368 7.884 -1.274 4.650 1.00 15.00 C ATOM 32 CG PRO A 368 6.722 -1.180 3.737 1.00 15.00 C ATOM 33 CD PRO A 368 7.087 -2.041 2.560 1.00 15.00 C ATOM 0 HA PRO A 368 9.322 -2.950 4.814 1.00 15.00 H new ATOM 0 HB2 PRO A 368 7.615 -1.019 5.675 1.00 15.00 H new ATOM 0 HB3 PRO A 368 8.687 -0.599 4.354 1.00 15.00 H new ATOM 0 HG2 PRO A 368 5.811 -1.535 4.219 1.00 15.00 H new ATOM 0 HG3 PRO A 368 6.541 -0.149 3.432 1.00 15.00 H new ATOM 0 HD2 PRO A 368 6.215 -2.548 2.148 1.00 15.00 H new ATOM 0 HD3 PRO A 368 7.525 -1.453 1.753 1.00 15.00 H new ATOM 41 N SER A 369 7.991 -3.947 6.543 1.00 15.00 N ATOM 42 CA SER A 369 7.328 -4.804 7.503 1.00 15.00 C ATOM 43 C SER A 369 6.215 -4.040 8.225 1.00 15.00 C ATOM 44 O SER A 369 6.490 -3.074 8.941 1.00 15.00 O ATOM 45 CB SER A 369 8.345 -5.333 8.515 1.00 15.00 C ATOM 46 OG SER A 369 9.122 -4.275 9.058 1.00 15.00 O ATOM 0 H SER A 369 8.929 -3.657 6.820 1.00 15.00 H new ATOM 0 HA SER A 369 6.881 -5.645 6.972 1.00 15.00 H new ATOM 0 HB2 SER A 369 7.826 -5.856 9.318 1.00 15.00 H new ATOM 0 HB3 SER A 369 9.000 -6.059 8.032 1.00 15.00 H new ATOM 0 HG SER A 369 8.530 -3.551 9.350 1.00 15.00 H new ATOM 52 N GLY A 370 4.963 -4.441 8.020 1.00 15.00 N ATOM 53 CA GLY A 370 3.874 -3.798 8.720 1.00 15.00 C ATOM 54 C GLY A 370 2.767 -3.358 7.789 1.00 15.00 C ATOM 55 O GLY A 370 1.753 -2.815 8.233 1.00 15.00 O ATOM 0 H GLY A 370 4.689 -5.193 7.387 1.00 15.00 H new ATOM 0 HA2 GLY A 370 3.468 -4.485 9.463 1.00 15.00 H new ATOM 0 HA3 GLY A 370 4.255 -2.932 9.261 1.00 15.00 H new ATOM 59 N TRP A 371 2.998 -3.487 6.487 1.00 15.00 N ATOM 60 CA TRP A 371 1.977 -3.266 5.510 1.00 15.00 C ATOM 61 C TRP A 371 1.699 -4.541 4.725 1.00 15.00 C ATOM 62 O TRP A 371 2.593 -5.371 4.553 1.00 15.00 O ATOM 63 CB TRP A 371 2.465 -2.220 4.535 1.00 15.00 C ATOM 64 CG TRP A 371 3.051 -0.982 5.151 1.00 15.00 C ATOM 65 CD1 TRP A 371 3.726 -0.837 6.322 1.00 15.00 C ATOM 66 CD2 TRP A 371 3.005 0.291 4.571 1.00 15.00 C ATOM 67 NE1 TRP A 371 4.094 0.469 6.490 1.00 15.00 N ATOM 68 CE2 TRP A 371 3.658 1.189 5.413 1.00 15.00 C ATOM 69 CE3 TRP A 371 2.457 0.725 3.408 1.00 15.00 C ATOM 70 CZ2 TRP A 371 3.770 2.544 5.107 1.00 15.00 C ATOM 71 CZ3 TRP A 371 2.550 2.066 3.078 1.00 15.00 C ATOM 72 CH2 TRP A 371 3.206 2.967 3.931 1.00 15.00 C ATOM 0 H TRP A 371 3.903 -3.748 6.095 1.00 15.00 H new ATOM 0 HA TRP A 371 1.067 -2.947 6.019 1.00 15.00 H new ATOM 0 HB2 TRP A 371 3.217 -2.674 3.889 1.00 15.00 H new ATOM 0 HB3 TRP A 371 1.631 -1.927 3.897 1.00 15.00 H new ATOM 0 HD1 TRP A 371 3.940 -1.636 7.017 1.00 15.00 H new ATOM 0 HE1 TRP A 371 4.609 0.844 7.287 1.00 15.00 H new ATOM 0 HE3 TRP A 371 1.955 0.033 2.748 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 4.279 3.231 5.767 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 2.114 2.422 2.156 1.00 15.00 H new ATOM 0 HH2 TRP A 371 3.268 4.010 3.657 1.00 15.00 H new ATOM 83 N GLU A 372 0.478 -4.683 4.226 1.00 15.00 N ATOM 84 CA GLU A 372 0.198 -5.723 3.250 1.00 15.00 C ATOM 85 C GLU A 372 0.243 -5.077 1.871 1.00 15.00 C ATOM 86 O GLU A 372 -0.040 -3.883 1.741 1.00 15.00 O ATOM 87 CB GLU A 372 -1.164 -6.421 3.480 1.00 15.00 C ATOM 88 CG GLU A 372 -1.460 -6.770 4.930 1.00 15.00 C ATOM 89 CD GLU A 372 -0.361 -7.581 5.583 1.00 15.00 C ATOM 90 OE1 GLU A 372 -0.168 -8.753 5.201 1.00 15.00 O1- ATOM 91 OE2 GLU A 372 0.314 -7.048 6.490 1.00 15.00 O ATOM 0 H GLU A 372 -0.321 -4.101 4.477 1.00 15.00 H new ATOM 0 HA GLU A 372 0.948 -6.508 3.347 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.957 -5.773 3.107 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -1.194 -7.335 2.887 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -1.609 -5.850 5.495 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.394 -7.330 4.979 1.00 15.00 H new ATOM 98 N GLU A 373 0.620 -5.832 0.852 1.00 15.00 N ATOM 99 CA GLU A 373 0.718 -5.264 -0.481 1.00 15.00 C ATOM 100 C GLU A 373 -0.285 -5.877 -1.430 1.00 15.00 C ATOM 101 O GLU A 373 -0.603 -7.065 -1.347 1.00 15.00 O ATOM 102 CB GLU A 373 2.105 -5.450 -1.075 1.00 15.00 C ATOM 103 CG GLU A 373 2.588 -6.895 -1.066 1.00 15.00 C ATOM 104 CD GLU A 373 3.703 -7.156 -2.062 1.00 15.00 C ATOM 105 OE1 GLU A 373 3.529 -6.837 -3.254 1.00 15.00 O ATOM 106 OE2 GLU A 373 4.743 -7.720 -1.664 1.00 15.00 O1- ATOM 0 H GLU A 373 0.859 -6.821 0.919 1.00 15.00 H new ATOM 0 HA GLU A 373 0.509 -4.201 -0.364 1.00 15.00 H new ATOM 0 HB2 GLU A 373 2.103 -5.084 -2.102 1.00 15.00 H new ATOM 0 HB3 GLU A 373 2.814 -4.836 -0.519 1.00 15.00 H new ATOM 0 HG2 GLU A 373 2.936 -7.149 -0.065 1.00 15.00 H new ATOM 0 HG3 GLU A 373 1.749 -7.554 -1.288 1.00 15.00 H new ATOM 113 N ARG A 374 -0.695 -5.075 -2.390 1.00 15.00 N ATOM 114 CA ARG A 374 -1.627 -5.526 -3.412 1.00 15.00 C ATOM 115 C ARG A 374 -1.385 -4.803 -4.728 1.00 15.00 C ATOM 116 O ARG A 374 -1.514 -3.580 -4.817 1.00 15.00 O ATOM 117 CB ARG A 374 -3.090 -5.353 -2.990 1.00 15.00 C ATOM 118 CG ARG A 374 -3.596 -6.469 -2.088 1.00 15.00 C ATOM 119 CD ARG A 374 -5.106 -6.620 -2.168 1.00 15.00 C ATOM 120 NE ARG A 374 -5.814 -5.422 -1.740 1.00 15.00 N ATOM 121 CZ ARG A 374 -7.006 -5.059 -2.208 1.00 15.00 C ATOM 122 NH1 ARG A 374 -7.665 -5.858 -3.039 1.00 15.00 N1+ ATOM 123 NH2 ARG A 374 -7.559 -3.926 -1.807 1.00 15.00 N ATOM 0 H ARG A 374 -0.399 -4.104 -2.487 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.443 -6.592 -3.546 1.00 15.00 H new ATOM 0 HB2 ARG A 374 -3.201 -4.400 -2.473 1.00 15.00 H new ATOM 0 HB3 ARG A 374 -3.714 -5.306 -3.882 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -3.121 -7.408 -2.371 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -3.306 -6.263 -1.058 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -5.389 -6.858 -3.193 1.00 15.00 H new ATOM 0 HD3 ARG A 374 -5.416 -7.461 -1.548 1.00 15.00 H new ATOM 0 HE ARG A 374 -5.371 -4.826 -1.041 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -7.258 -6.750 -3.319 1.00 15.00 H new ATOM 0 HH12 ARG A 374 -8.578 -5.579 -3.397 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -7.072 -3.329 -1.138 1.00 15.00 H new ATOM 0 HH22 ARG A 374 -8.472 -3.649 -2.167 1.00 15.00 H new ATOM 137 N LYS A 375 -1.014 -5.567 -5.741 1.00 15.00 N ATOM 138 CA LYS A 375 -0.897 -5.044 -7.084 1.00 15.00 C ATOM 139 C LYS A 375 -2.219 -5.273 -7.811 1.00 15.00 C ATOM 140 O LYS A 375 -2.643 -6.419 -7.977 1.00 15.00 O ATOM 141 CB LYS A 375 0.269 -5.734 -7.809 1.00 15.00 C ATOM 142 CG LYS A 375 0.516 -5.247 -9.236 1.00 15.00 C ATOM 143 CD LYS A 375 -0.344 -5.986 -10.255 1.00 15.00 C ATOM 144 CE LYS A 375 0.001 -7.466 -10.313 1.00 15.00 C ATOM 145 NZ LYS A 375 -0.859 -8.202 -11.278 1.00 15.00 N1+ ATOM 0 H LYS A 375 -0.788 -6.558 -5.654 1.00 15.00 H new ATOM 0 HA LYS A 375 -0.687 -3.975 -7.062 1.00 15.00 H new ATOM 0 HB2 LYS A 375 1.179 -5.586 -7.227 1.00 15.00 H new ATOM 0 HB3 LYS A 375 0.078 -6.807 -7.834 1.00 15.00 H new ATOM 0 HG2 LYS A 375 0.308 -4.179 -9.294 1.00 15.00 H new ATOM 0 HG3 LYS A 375 1.568 -5.381 -9.486 1.00 15.00 H new ATOM 0 HD2 LYS A 375 -1.396 -5.867 -9.997 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -0.205 -5.541 -11.240 1.00 15.00 H new ATOM 0 HE2 LYS A 375 1.047 -7.583 -10.597 1.00 15.00 H new ATOM 0 HE3 LYS A 375 -0.111 -7.903 -9.321 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 -0.590 -9.207 -11.286 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 -1.855 -8.112 -10.994 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 -0.733 -7.802 -12.230 1.00 15.00 H new ATOM 159 N ASP A 376 -2.892 -4.200 -8.212 1.00 15.00 N ATOM 160 CA ASP A 376 -4.163 -4.337 -8.903 1.00 15.00 C ATOM 161 C ASP A 376 -3.954 -4.225 -10.414 1.00 15.00 C ATOM 162 O ASP A 376 -3.198 -3.360 -10.879 1.00 15.00 O ATOM 163 CB ASP A 376 -5.154 -3.272 -8.434 1.00 15.00 C ATOM 164 CG ASP A 376 -6.572 -3.595 -8.857 1.00 15.00 C ATOM 165 OD1 ASP A 376 -6.849 -3.586 -10.074 1.00 15.00 O1- ATOM 166 OD2 ASP A 376 -7.411 -3.870 -7.974 1.00 15.00 O ATOM 0 H ASP A 376 -2.582 -3.239 -8.072 1.00 15.00 H new ATOM 0 HA ASP A 376 -4.575 -5.319 -8.670 1.00 15.00 H new ATOM 0 HB2 ASP A 376 -5.109 -3.188 -7.348 1.00 15.00 H new ATOM 0 HB3 ASP A 376 -4.865 -2.303 -8.841 1.00 15.00 H new ATOM 171 N ALA A 377 -4.668 -5.061 -11.175 1.00 15.00 N ATOM 172 CA ALA A 377 -4.497 -5.154 -12.621 1.00 15.00 C ATOM 173 C ALA A 377 -4.922 -3.872 -13.332 1.00 15.00 C ATOM 174 O ALA A 377 -4.678 -3.706 -14.529 1.00 15.00 O ATOM 175 CB ALA A 377 -5.285 -6.336 -13.162 1.00 15.00 C ATOM 0 H ALA A 377 -5.379 -5.690 -10.802 1.00 15.00 H new ATOM 0 HA ALA A 377 -3.435 -5.301 -12.818 1.00 15.00 H new ATOM 0 HB1 ALA A 377 -5.152 -6.398 -14.242 1.00 15.00 H new ATOM 0 HB2 ALA A 377 -4.926 -7.255 -12.699 1.00 15.00 H new ATOM 0 HB3 ALA A 377 -6.343 -6.203 -12.934 1.00 15.00 H new ATOM 181 N LYS A 378 -5.560 -2.968 -12.598 1.00 15.00 N ATOM 182 CA LYS A 378 -5.943 -1.677 -13.153 1.00 15.00 C ATOM 183 C LYS A 378 -4.725 -0.764 -13.297 1.00 15.00 C ATOM 184 O LYS A 378 -4.836 0.372 -13.755 1.00 15.00 O ATOM 185 CB LYS A 378 -7.023 -1.016 -12.290 1.00 15.00 C ATOM 186 CG LYS A 378 -6.600 -0.682 -10.864 1.00 15.00 C ATOM 187 CD LYS A 378 -7.810 -0.265 -10.049 1.00 15.00 C ATOM 188 CE LYS A 378 -7.458 0.103 -8.620 1.00 15.00 C ATOM 189 NZ LYS A 378 -8.660 0.571 -7.885 1.00 15.00 N1+ ATOM 0 H LYS A 378 -5.822 -3.105 -11.622 1.00 15.00 H new ATOM 0 HA LYS A 378 -6.358 -1.843 -14.147 1.00 15.00 H new ATOM 0 HB2 LYS A 378 -7.346 -0.098 -12.781 1.00 15.00 H new ATOM 0 HB3 LYS A 378 -7.889 -1.677 -12.250 1.00 15.00 H new ATOM 0 HG2 LYS A 378 -6.123 -1.548 -10.405 1.00 15.00 H new ATOM 0 HG3 LYS A 378 -5.863 0.121 -10.873 1.00 15.00 H new ATOM 0 HD2 LYS A 378 -8.291 0.586 -10.531 1.00 15.00 H new ATOM 0 HD3 LYS A 378 -8.535 -1.079 -10.042 1.00 15.00 H new ATOM 0 HE2 LYS A 378 -7.029 -0.761 -8.112 1.00 15.00 H new ATOM 0 HE3 LYS A 378 -6.698 0.884 -8.618 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 -8.396 0.817 -6.910 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 -9.053 1.409 -8.360 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 -9.374 -0.185 -7.870 1.00 15.00 H new ATOM 203 N GLY A 379 -3.563 -1.276 -12.910 1.00 15.00 N ATOM 204 CA GLY A 379 -2.327 -0.542 -13.086 1.00 15.00 C ATOM 205 C GLY A 379 -2.067 0.419 -11.953 1.00 15.00 C ATOM 206 O GLY A 379 -1.554 1.516 -12.164 1.00 15.00 O ATOM 0 H GLY A 379 -3.456 -2.192 -12.475 1.00 15.00 H new ATOM 0 HA2 GLY A 379 -1.497 -1.245 -13.161 1.00 15.00 H new ATOM 0 HA3 GLY A 379 -2.365 0.009 -14.026 1.00 15.00 H new ATOM 210 N ARG A 380 -2.422 0.008 -10.747 1.00 15.00 N ATOM 211 CA ARG A 380 -2.227 0.846 -9.575 1.00 15.00 C ATOM 212 C ARG A 380 -1.781 0.000 -8.376 1.00 15.00 C ATOM 213 O ARG A 380 -2.537 -0.835 -7.877 1.00 15.00 O ATOM 214 CB ARG A 380 -3.505 1.645 -9.264 1.00 15.00 C ATOM 215 CG ARG A 380 -3.553 3.001 -9.966 1.00 15.00 C ATOM 216 CD ARG A 380 -4.898 3.716 -9.798 1.00 15.00 C ATOM 217 NE ARG A 380 -5.967 3.116 -10.608 1.00 15.00 N ATOM 218 CZ ARG A 380 -5.970 3.056 -11.949 1.00 15.00 C ATOM 219 NH1 ARG A 380 -4.953 3.522 -12.659 1.00 15.00 N1+ ATOM 220 NH2 ARG A 380 -7.001 2.530 -12.588 1.00 15.00 N ATOM 0 H ARG A 380 -2.846 -0.899 -10.554 1.00 15.00 H new ATOM 0 HA ARG A 380 -1.433 1.563 -9.784 1.00 15.00 H new ATOM 0 HB2 ARG A 380 -4.374 1.058 -9.562 1.00 15.00 H new ATOM 0 HB3 ARG A 380 -3.577 1.798 -8.187 1.00 15.00 H new ATOM 0 HG2 ARG A 380 -2.759 3.636 -9.573 1.00 15.00 H new ATOM 0 HG3 ARG A 380 -3.353 2.861 -11.028 1.00 15.00 H new ATOM 0 HD2 ARG A 380 -5.188 3.693 -8.748 1.00 15.00 H new ATOM 0 HD3 ARG A 380 -4.784 4.764 -10.074 1.00 15.00 H new ATOM 0 HE ARG A 380 -6.765 2.716 -10.115 1.00 15.00 H new ATOM 0 HH11 ARG A 380 -4.149 3.936 -12.187 1.00 15.00 H new ATOM 0 HH12 ARG A 380 -4.974 3.467 -13.677 1.00 15.00 H new ATOM 0 HH21 ARG A 380 -7.797 2.169 -12.062 1.00 15.00 H new ATOM 0 HH22 ARG A 380 -7.001 2.486 -13.607 1.00 15.00 H new ATOM 234 N THR A 381 -0.535 0.195 -7.947 1.00 15.00 N ATOM 235 CA THR A 381 0.040 -0.558 -6.839 1.00 15.00 C ATOM 236 C THR A 381 -0.023 0.250 -5.546 1.00 15.00 C ATOM 237 O THR A 381 0.495 1.370 -5.483 1.00 15.00 O ATOM 238 CB THR A 381 1.511 -0.931 -7.137 1.00 15.00 C ATOM 239 OG1 THR A 381 2.261 0.242 -7.491 1.00 15.00 O ATOM 240 CG2 THR A 381 1.598 -1.938 -8.272 1.00 15.00 C ATOM 0 H THR A 381 0.101 0.878 -8.358 1.00 15.00 H new ATOM 0 HA THR A 381 -0.544 -1.470 -6.720 1.00 15.00 H new ATOM 0 HB THR A 381 1.930 -1.376 -6.235 1.00 15.00 H new ATOM 0 HG1 THR A 381 1.966 0.997 -6.941 1.00 15.00 H new ATOM 0 HG21 THR A 381 2.643 -2.183 -8.461 1.00 15.00 H new ATOM 0 HG22 THR A 381 1.057 -2.843 -7.997 1.00 15.00 H new ATOM 0 HG23 THR A 381 1.157 -1.510 -9.172 1.00 15.00 H new ATOM 248 N TYR A 382 -0.647 -0.307 -4.512 1.00 15.00 N ATOM 249 CA TYR A 382 -0.806 0.423 -3.264 1.00 15.00 C ATOM 250 C TYR A 382 -0.435 -0.453 -2.076 1.00 15.00 C ATOM 251 O TYR A 382 -0.564 -1.682 -2.125 1.00 15.00 O ATOM 252 CB TYR A 382 -2.235 0.954 -3.113 1.00 15.00 C ATOM 253 CG TYR A 382 -3.210 0.040 -2.420 1.00 15.00 C ATOM 254 CD1 TYR A 382 -3.630 -1.164 -2.973 1.00 15.00 C ATOM 255 CD2 TYR A 382 -3.719 0.408 -1.192 1.00 15.00 C ATOM 256 CE1 TYR A 382 -4.530 -1.972 -2.307 1.00 15.00 C ATOM 257 CE2 TYR A 382 -4.612 -0.385 -0.523 1.00 15.00 C ATOM 258 CZ TYR A 382 -5.019 -1.575 -1.078 1.00 15.00 C ATOM 259 OH TYR A 382 -5.908 -2.371 -0.396 1.00 15.00 O ATOM 0 H TYR A 382 -1.044 -1.246 -4.514 1.00 15.00 H new ATOM 0 HA TYR A 382 -0.129 1.277 -3.289 1.00 15.00 H new ATOM 0 HB2 TYR A 382 -2.196 1.894 -2.563 1.00 15.00 H new ATOM 0 HB3 TYR A 382 -2.624 1.181 -4.106 1.00 15.00 H new ATOM 0 HD1 TYR A 382 -3.248 -1.471 -3.935 1.00 15.00 H new ATOM 0 HD2 TYR A 382 -3.406 1.342 -0.749 1.00 15.00 H new ATOM 0 HE1 TYR A 382 -4.849 -2.907 -2.744 1.00 15.00 H new ATOM 0 HE2 TYR A 382 -4.996 -0.077 0.438 1.00 15.00 H new ATOM 0 HH TYR A 382 -5.440 -3.156 -0.042 1.00 15.00 H new ATOM 269 N TYR A 383 0.047 0.190 -1.025 1.00 15.00 N ATOM 270 CA TYR A 383 0.458 -0.504 0.181 1.00 15.00 C ATOM 271 C TYR A 383 -0.346 0.005 1.384 1.00 15.00 C ATOM 272 O TYR A 383 -0.575 1.212 1.517 1.00 15.00 O ATOM 273 CB TYR A 383 1.952 -0.285 0.404 1.00 15.00 C ATOM 274 CG TYR A 383 2.811 -0.660 -0.783 1.00 15.00 C ATOM 275 CD1 TYR A 383 3.063 -1.989 -1.100 1.00 15.00 C ATOM 276 CD2 TYR A 383 3.367 0.321 -1.588 1.00 15.00 C ATOM 277 CE1 TYR A 383 3.847 -2.324 -2.188 1.00 15.00 C ATOM 278 CE2 TYR A 383 4.149 -0.007 -2.674 1.00 15.00 C ATOM 279 CZ TYR A 383 4.387 -1.330 -2.971 1.00 15.00 C ATOM 280 OH TYR A 383 5.172 -1.657 -4.052 1.00 15.00 O ATOM 0 H TYR A 383 0.163 1.203 -0.985 1.00 15.00 H new ATOM 0 HA TYR A 383 0.266 -1.571 0.070 1.00 15.00 H new ATOM 0 HB2 TYR A 383 2.123 0.764 0.647 1.00 15.00 H new ATOM 0 HB3 TYR A 383 2.270 -0.868 1.268 1.00 15.00 H new ATOM 0 HD1 TYR A 383 2.640 -2.772 -0.488 1.00 15.00 H new ATOM 0 HD2 TYR A 383 3.184 1.361 -1.360 1.00 15.00 H new ATOM 0 HE1 TYR A 383 4.035 -3.361 -2.422 1.00 15.00 H new ATOM 0 HE2 TYR A 383 4.574 0.771 -3.290 1.00 15.00 H new ATOM 0 HH TYR A 383 5.472 -0.838 -4.498 1.00 15.00 H new ATOM 290 N VAL A 384 -0.753 -0.910 2.263 1.00 15.00 N ATOM 291 CA VAL A 384 -1.598 -0.567 3.408 1.00 15.00 C ATOM 292 C VAL A 384 -0.846 -0.686 4.727 1.00 15.00 C ATOM 293 O VAL A 384 -0.474 -1.782 5.126 1.00 15.00 O ATOM 294 CB VAL A 384 -2.835 -1.481 3.496 1.00 15.00 C ATOM 295 CG1 VAL A 384 -4.096 -0.680 3.299 1.00 15.00 C ATOM 296 CG2 VAL A 384 -2.762 -2.605 2.483 1.00 15.00 C ATOM 0 H VAL A 384 -0.510 -1.899 2.204 1.00 15.00 H new ATOM 0 HA VAL A 384 -1.904 0.467 3.247 1.00 15.00 H new ATOM 0 HB VAL A 384 -2.852 -1.926 4.491 1.00 15.00 H new ATOM 0 HG11 VAL A 384 -4.961 -1.341 3.364 1.00 15.00 H new ATOM 0 HG12 VAL A 384 -4.165 0.086 4.072 1.00 15.00 H new ATOM 0 HG13 VAL A 384 -4.076 -0.205 2.318 1.00 15.00 H new ATOM 0 HG21 VAL A 384 -3.649 -3.232 2.571 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -2.711 -2.186 1.478 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -1.873 -3.207 2.671 1.00 15.00 H new ATOM 306 N ASN A 385 -0.655 0.424 5.426 1.00 15.00 N ATOM 307 CA ASN A 385 0.086 0.406 6.687 1.00 15.00 C ATOM 308 C ASN A 385 -0.853 0.213 7.880 1.00 15.00 C ATOM 309 O ASN A 385 -1.763 1.006 8.059 1.00 15.00 O ATOM 310 CB ASN A 385 0.832 1.719 6.887 1.00 15.00 C ATOM 311 CG ASN A 385 1.676 1.703 8.148 1.00 15.00 C ATOM 312 OD1 ASN A 385 1.895 2.730 8.768 1.00 15.00 O ATOM 313 ND2 ASN A 385 2.159 0.528 8.538 1.00 15.00 N ATOM 0 H ASN A 385 -0.998 1.343 5.147 1.00 15.00 H new ATOM 0 HA ASN A 385 0.788 -0.426 6.633 1.00 15.00 H new ATOM 0 HB2 ASN A 385 1.471 1.909 6.025 1.00 15.00 H new ATOM 0 HB3 ASN A 385 0.116 2.539 6.940 1.00 15.00 H new ATOM 0 HD21 ASN A 385 2.732 0.466 9.379 1.00 15.00 H new ATOM 0 HD22 ASN A 385 1.957 -0.312 7.996 1.00 15.00 H new ATOM 320 N HIS A 386 -0.610 -0.802 8.721 1.00 15.00 N ATOM 321 CA HIS A 386 -1.487 -1.068 9.875 1.00 15.00 C ATOM 322 C HIS A 386 -1.051 -0.218 11.043 1.00 15.00 C ATOM 323 O HIS A 386 -1.754 -0.059 12.037 1.00 15.00 O ATOM 324 CB HIS A 386 -1.457 -2.556 10.287 1.00 15.00 C ATOM 325 CG HIS A 386 -1.192 -3.450 9.133 1.00 15.00 C ATOM 326 ND1 HIS A 386 -1.542 -3.074 7.874 1.00 15.00 N ATOM 327 CD2 HIS A 386 -0.442 -4.565 9.001 1.00 15.00 C ATOM 328 CE1 HIS A 386 -1.007 -3.878 7.014 1.00 15.00 C ATOM 329 NE2 HIS A 386 -0.342 -4.813 7.658 1.00 15.00 N ATOM 0 H HIS A 386 0.175 -1.446 8.628 1.00 15.00 H new ATOM 0 HA HIS A 386 -2.508 -0.820 9.584 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -0.688 -2.706 11.045 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -2.410 -2.825 10.742 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -0.006 -5.148 9.799 1.00 15.00 H new ATOM 0 HE1 HIS A 386 -1.092 -3.795 5.941 1.00 15.00 H new ATOM 0 HE2 HIS A 386 0.162 -5.590 7.230 1.00 15.00 H new ATOM 338 N ASN A 387 0.140 0.309 10.893 1.00 15.00 N ATOM 339 CA ASN A 387 0.833 1.002 11.944 1.00 15.00 C ATOM 340 C ASN A 387 0.406 2.469 12.002 1.00 15.00 C ATOM 341 O ASN A 387 0.491 3.120 13.042 1.00 15.00 O ATOM 342 CB ASN A 387 2.322 0.854 11.654 1.00 15.00 C ATOM 343 CG ASN A 387 3.210 1.406 12.755 1.00 15.00 C ATOM 344 OD1 ASN A 387 3.602 2.667 12.632 1.00 15.00 O flip ATOM 345 ND2 ASN A 387 3.551 0.697 13.702 1.00 15.00 N flip ATOM 0 H ASN A 387 0.662 0.265 10.018 1.00 15.00 H new ATOM 0 HA ASN A 387 0.595 0.582 12.921 1.00 15.00 H new ATOM 0 HB2 ASN A 387 2.552 -0.201 11.507 1.00 15.00 H new ATOM 0 HB3 ASN A 387 2.555 1.365 10.720 1.00 15.00 H new ATOM 0 HD21 ASN A 387 3.227 -0.268 13.759 1.00 15.00 H new ATOM 0 HD22 ASN A 387 4.158 1.075 14.430 1.00 15.00 H new ATOM 352 N ASN A 388 -0.014 2.984 10.857 1.00 15.00 N ATOM 353 CA ASN A 388 -0.533 4.342 10.748 1.00 15.00 C ATOM 354 C ASN A 388 -1.970 4.332 10.239 1.00 15.00 C ATOM 355 O ASN A 388 -2.661 5.348 10.292 1.00 15.00 O ATOM 356 CB ASN A 388 0.352 5.195 9.835 1.00 15.00 C ATOM 357 CG ASN A 388 1.626 5.652 10.522 1.00 15.00 C ATOM 358 OD1 ASN A 388 1.612 6.872 11.037 1.00 15.00 O flip ATOM 359 ND2 ASN A 388 2.620 4.924 10.575 1.00 15.00 N flip ATOM 0 H ASN A 388 -0.005 2.473 9.974 1.00 15.00 H new ATOM 0 HA ASN A 388 -0.523 4.785 11.744 1.00 15.00 H new ATOM 0 HB2 ASN A 388 0.609 4.622 8.944 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -0.210 6.067 9.501 1.00 15.00 H new ATOM 0 HD21 ASN A 388 2.590 3.990 10.166 1.00 15.00 H new ATOM 0 HD22 ASN A 388 3.472 5.256 11.028 1.00 15.00 H new ATOM 366 N ARG A 389 -2.391 3.180 9.700 1.00 15.00 N ATOM 367 CA ARG A 389 -3.728 3.015 9.132 1.00 15.00 C ATOM 368 C ARG A 389 -3.877 3.825 7.851 1.00 15.00 C ATOM 369 O ARG A 389 -4.536 4.864 7.830 1.00 15.00 O ATOM 370 CB ARG A 389 -4.825 3.371 10.138 1.00 15.00 C ATOM 371 CG ARG A 389 -4.927 2.393 11.294 1.00 15.00 C ATOM 372 CD ARG A 389 -6.004 2.818 12.267 1.00 15.00 C ATOM 373 NE ARG A 389 -5.623 4.031 12.990 1.00 15.00 N ATOM 374 CZ ARG A 389 -6.483 4.925 13.475 1.00 15.00 C ATOM 375 NH1 ARG A 389 -7.792 4.749 13.328 1.00 15.00 N1+ ATOM 376 NH2 ARG A 389 -6.027 6.000 14.111 1.00 15.00 N ATOM 0 H ARG A 389 -1.813 2.341 9.647 1.00 15.00 H new ATOM 0 HA ARG A 389 -3.848 1.960 8.886 1.00 15.00 H new ATOM 0 HB2 ARG A 389 -4.635 4.369 10.533 1.00 15.00 H new ATOM 0 HB3 ARG A 389 -5.783 3.410 9.620 1.00 15.00 H new ATOM 0 HG2 ARG A 389 -5.148 1.396 10.913 1.00 15.00 H new ATOM 0 HG3 ARG A 389 -3.969 2.332 11.810 1.00 15.00 H new ATOM 0 HD2 ARG A 389 -6.935 2.992 11.728 1.00 15.00 H new ATOM 0 HD3 ARG A 389 -6.192 2.013 12.978 1.00 15.00 H new ATOM 0 HE ARG A 389 -4.628 4.205 13.133 1.00 15.00 H new ATOM 0 HH11 ARG A 389 -8.144 3.925 12.841 1.00 15.00 H new ATOM 0 HH12 ARG A 389 -8.444 5.438 13.702 1.00 15.00 H new ATOM 0 HH21 ARG A 389 -5.023 6.137 14.226 1.00 15.00 H new ATOM 0 HH22 ARG A 389 -6.681 6.688 14.484 1.00 15.00 H new ATOM 390 N THR A 390 -3.197 3.385 6.801 1.00 15.00 N ATOM 391 CA THR A 390 -3.137 4.153 5.572 1.00 15.00 C ATOM 392 C THR A 390 -3.231 3.271 4.311 1.00 15.00 C ATOM 393 O THR A 390 -2.818 2.113 4.333 1.00 15.00 O ATOM 394 CB THR A 390 -1.819 4.976 5.555 1.00 15.00 C ATOM 395 OG1 THR A 390 -1.960 6.147 6.372 1.00 15.00 O ATOM 396 CG2 THR A 390 -1.370 5.375 4.149 1.00 15.00 C ATOM 0 H THR A 390 -2.683 2.504 6.778 1.00 15.00 H new ATOM 0 HA THR A 390 -4.002 4.816 5.551 1.00 15.00 H new ATOM 0 HB THR A 390 -1.043 4.325 5.958 1.00 15.00 H new ATOM 0 HG1 THR A 390 -1.124 6.659 6.357 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.444 5.947 4.211 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.203 4.478 3.552 1.00 15.00 H new ATOM 0 HG23 THR A 390 -2.142 5.985 3.680 1.00 15.00 H new ATOM 404 N THR A 391 -3.792 3.834 3.229 1.00 15.00 N ATOM 405 CA THR A 391 -3.847 3.190 1.929 1.00 15.00 C ATOM 406 C THR A 391 -3.354 4.190 0.870 1.00 15.00 C ATOM 407 O THR A 391 -3.989 5.222 0.652 1.00 15.00 O ATOM 408 CB THR A 391 -5.291 2.752 1.607 1.00 15.00 C ATOM 409 OG1 THR A 391 -5.421 2.497 0.211 1.00 15.00 O ATOM 410 CG2 THR A 391 -6.297 3.809 2.042 1.00 15.00 C ATOM 0 H THR A 391 -4.222 4.759 3.244 1.00 15.00 H new ATOM 0 HA THR A 391 -3.214 2.302 1.931 1.00 15.00 H new ATOM 0 HB THR A 391 -5.501 1.838 2.162 1.00 15.00 H new ATOM 0 HG1 THR A 391 -5.020 1.628 -0.002 1.00 15.00 H new ATOM 0 HG21 THR A 391 -7.305 3.472 1.802 1.00 15.00 H new ATOM 0 HG22 THR A 391 -6.214 3.970 3.117 1.00 15.00 H new ATOM 0 HG23 THR A 391 -6.092 4.743 1.519 1.00 15.00 H new ATOM 418 N THR A 392 -2.206 3.934 0.246 1.00 15.00 N ATOM 419 CA THR A 392 -1.579 4.964 -0.564 1.00 15.00 C ATOM 420 C THR A 392 -0.765 4.392 -1.726 1.00 15.00 C ATOM 421 O THR A 392 -0.256 3.269 -1.645 1.00 15.00 O ATOM 422 CB THR A 392 -0.691 5.845 0.331 1.00 15.00 C ATOM 423 OG1 THR A 392 -0.258 7.013 -0.377 1.00 15.00 O ATOM 424 CG2 THR A 392 0.519 5.074 0.844 1.00 15.00 C ATOM 0 H THR A 392 -1.706 3.046 0.285 1.00 15.00 H new ATOM 0 HA THR A 392 -2.374 5.562 -1.009 1.00 15.00 H new ATOM 0 HB THR A 392 -1.292 6.150 1.187 1.00 15.00 H new ATOM 0 HG1 THR A 392 0.181 7.629 0.246 1.00 15.00 H new ATOM 0 HG21 THR A 392 1.126 5.725 1.473 1.00 15.00 H new ATOM 0 HG22 THR A 392 0.183 4.216 1.427 1.00 15.00 H new ATOM 0 HG23 THR A 392 1.115 4.728 -0.001 1.00 15.00 H new ATOM 432 N TRP A 393 -0.673 5.157 -2.821 1.00 15.00 N ATOM 433 CA TRP A 393 0.241 4.811 -3.912 1.00 15.00 C ATOM 434 C TRP A 393 1.665 5.159 -3.501 1.00 15.00 C ATOM 435 O TRP A 393 2.632 4.737 -4.139 1.00 15.00 O ATOM 436 CB TRP A 393 -0.045 5.587 -5.213 1.00 15.00 C ATOM 437 CG TRP A 393 -1.456 5.563 -5.719 1.00 15.00 C ATOM 438 CD1 TRP A 393 -2.162 6.633 -6.188 1.00 15.00 C ATOM 439 CD2 TRP A 393 -2.320 4.432 -5.839 1.00 15.00 C ATOM 440 NE1 TRP A 393 -3.414 6.237 -6.577 1.00 15.00 N ATOM 441 CE2 TRP A 393 -3.535 4.892 -6.370 1.00 15.00 C ATOM 442 CE3 TRP A 393 -2.190 3.080 -5.546 1.00 15.00 C ATOM 443 CZ2 TRP A 393 -4.606 4.045 -6.612 1.00 15.00 C ATOM 444 CZ3 TRP A 393 -3.259 2.240 -5.785 1.00 15.00 C ATOM 445 CH2 TRP A 393 -4.454 2.725 -6.311 1.00 15.00 C ATOM 0 H TRP A 393 -1.214 6.009 -2.973 1.00 15.00 H new ATOM 0 HA TRP A 393 0.103 3.746 -4.100 1.00 15.00 H new ATOM 0 HB2 TRP A 393 0.243 6.627 -5.058 1.00 15.00 H new ATOM 0 HB3 TRP A 393 0.603 5.190 -5.995 1.00 15.00 H new ATOM 0 HD1 TRP A 393 -1.788 7.645 -6.244 1.00 15.00 H new ATOM 0 HE1 TRP A 393 -4.137 6.846 -6.959 1.00 15.00 H new ATOM 0 HE3 TRP A 393 -1.268 2.693 -5.138 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 -5.531 4.420 -7.026 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 -3.167 1.188 -5.560 1.00 15.00 H new ATOM 0 HH2 TRP A 393 -5.274 2.043 -6.483 1.00 15.00 H new ATOM 456 N THR A 394 1.779 5.959 -2.451 1.00 15.00 N ATOM 457 CA THR A 394 3.062 6.485 -2.027 1.00 15.00 C ATOM 458 C THR A 394 3.925 5.374 -1.449 1.00 15.00 C ATOM 459 O THR A 394 3.441 4.518 -0.706 1.00 15.00 O ATOM 460 CB THR A 394 2.872 7.595 -0.975 1.00 15.00 C ATOM 461 OG1 THR A 394 1.844 8.500 -1.406 1.00 15.00 O ATOM 462 CG2 THR A 394 4.165 8.365 -0.753 1.00 15.00 C ATOM 0 H THR A 394 0.991 6.258 -1.876 1.00 15.00 H new ATOM 0 HA THR A 394 3.561 6.907 -2.899 1.00 15.00 H new ATOM 0 HB THR A 394 2.583 7.127 -0.034 1.00 15.00 H new ATOM 0 HG1 THR A 394 0.966 8.089 -1.265 1.00 15.00 H new ATOM 0 HG21 THR A 394 4.002 9.142 -0.006 1.00 15.00 H new ATOM 0 HG22 THR A 394 4.940 7.682 -0.404 1.00 15.00 H new ATOM 0 HG23 THR A 394 4.481 8.823 -1.690 1.00 15.00 H new ATOM 470 N ARG A 395 5.196 5.374 -1.815 1.00 15.00 N ATOM 471 CA ARG A 395 6.109 4.354 -1.347 1.00 15.00 C ATOM 472 C ARG A 395 6.412 4.547 0.131 1.00 15.00 C ATOM 473 O ARG A 395 6.608 5.669 0.599 1.00 15.00 O ATOM 474 CB ARG A 395 7.385 4.345 -2.190 1.00 15.00 C ATOM 475 CG ARG A 395 7.132 3.903 -3.625 1.00 15.00 C ATOM 476 CD ARG A 395 6.183 2.711 -3.668 1.00 15.00 C ATOM 477 NE ARG A 395 6.018 2.160 -5.016 1.00 15.00 N ATOM 478 CZ ARG A 395 4.837 1.838 -5.557 1.00 15.00 C ATOM 479 NH1 ARG A 395 3.702 2.158 -4.940 1.00 15.00 N1+ ATOM 480 NH2 ARG A 395 4.794 1.237 -6.737 1.00 15.00 N ATOM 0 H ARG A 395 5.615 6.069 -2.433 1.00 15.00 H new ATOM 0 HA ARG A 395 5.634 3.380 -1.461 1.00 15.00 H new ATOM 0 HB2 ARG A 395 7.822 5.343 -2.192 1.00 15.00 H new ATOM 0 HB3 ARG A 395 8.115 3.678 -1.731 1.00 15.00 H new ATOM 0 HG2 ARG A 395 6.709 4.730 -4.195 1.00 15.00 H new ATOM 0 HG3 ARG A 395 8.077 3.638 -4.100 1.00 15.00 H new ATOM 0 HD2 ARG A 395 6.558 1.931 -3.006 1.00 15.00 H new ATOM 0 HD3 ARG A 395 5.209 3.015 -3.284 1.00 15.00 H new ATOM 0 HE ARG A 395 6.857 2.013 -5.578 1.00 15.00 H new ATOM 0 HH11 ARG A 395 3.728 2.652 -4.048 1.00 15.00 H new ATOM 0 HH12 ARG A 395 2.806 1.909 -5.359 1.00 15.00 H new ATOM 0 HH21 ARG A 395 5.660 1.021 -7.231 1.00 15.00 H new ATOM 0 HH22 ARG A 395 3.895 0.991 -7.151 1.00 15.00 H new ATOM 494 N PRO A 396 6.468 3.437 0.874 1.00 15.00 N ATOM 495 CA PRO A 396 6.560 3.447 2.336 1.00 15.00 C ATOM 496 C PRO A 396 7.901 3.951 2.858 1.00 15.00 C ATOM 497 O PRO A 396 8.966 3.499 2.434 1.00 15.00 O ATOM 498 CB PRO A 396 6.384 1.968 2.707 1.00 15.00 C ATOM 499 CG PRO A 396 5.802 1.330 1.496 1.00 15.00 C ATOM 500 CD PRO A 396 6.403 2.070 0.347 1.00 15.00 C ATOM 0 HA PRO A 396 5.821 4.120 2.771 1.00 15.00 H new ATOM 0 HB2 PRO A 396 7.338 1.512 2.973 1.00 15.00 H new ATOM 0 HB3 PRO A 396 5.725 1.853 3.568 1.00 15.00 H new ATOM 0 HG2 PRO A 396 6.045 0.268 1.453 1.00 15.00 H new ATOM 0 HG3 PRO A 396 4.715 1.409 1.492 1.00 15.00 H new ATOM 0 HD2 PRO A 396 7.388 1.686 0.083 1.00 15.00 H new ATOM 0 HD3 PRO A 396 5.786 2.006 -0.549 1.00 15.00 H new ATOM 616 N PRO B 180 -7.966 6.380 -7.469 1.00 15.00 N ATOM 617 CA PRO B 180 -7.368 5.994 -6.196 1.00 15.00 C ATOM 618 C PRO B 180 -7.610 4.677 -5.514 1.00 15.00 C ATOM 619 O PRO B 180 -8.505 3.884 -5.818 1.00 15.00 O ATOM 620 CB PRO B 180 -7.905 7.092 -5.301 1.00 15.00 C ATOM 621 CG PRO B 180 -7.408 8.147 -6.120 1.00 15.00 C ATOM 622 CD PRO B 180 -8.136 7.851 -7.421 1.00 15.00 C ATOM 0 HA PRO B 180 -6.304 5.864 -6.394 1.00 15.00 H new ATOM 0 HB2 PRO B 180 -8.990 7.087 -5.199 1.00 15.00 H new ATOM 0 HB3 PRO B 180 -7.490 7.083 -4.293 1.00 15.00 H new ATOM 0 HG2 PRO B 180 -7.653 9.132 -5.722 1.00 15.00 H new ATOM 0 HG3 PRO B 180 -6.325 8.109 -6.233 1.00 15.00 H new ATOM 0 HD2 PRO B 180 -9.184 8.151 -7.392 1.00 15.00 H new ATOM 0 HD3 PRO B 180 -7.685 8.353 -8.277 1.00 15.00 H new ATOM 630 N PRO B 181 -6.739 4.544 -4.491 1.00 15.00 N ATOM 631 CA PRO B 181 -6.536 3.356 -3.658 1.00 15.00 C ATOM 632 C PRO B 181 -7.804 2.739 -3.069 1.00 15.00 C ATOM 633 O PRO B 181 -8.749 3.433 -2.691 1.00 15.00 O ATOM 634 CB PRO B 181 -5.651 3.890 -2.515 1.00 15.00 C ATOM 635 CG PRO B 181 -5.690 5.382 -2.632 1.00 15.00 C ATOM 636 CD PRO B 181 -5.857 5.659 -4.049 1.00 15.00 C ATOM 0 HA PRO B 181 -6.114 2.549 -4.256 1.00 15.00 H new ATOM 0 HB2 PRO B 181 -6.026 3.564 -1.545 1.00 15.00 H new ATOM 0 HB3 PRO B 181 -4.631 3.517 -2.604 1.00 15.00 H new ATOM 0 HG2 PRO B 181 -6.513 5.799 -2.051 1.00 15.00 H new ATOM 0 HG3 PRO B 181 -4.772 5.829 -2.251 1.00 15.00 H new ATOM 0 HD2 PRO B 181 -6.316 6.633 -4.221 1.00 15.00 H new ATOM 0 HD3 PRO B 181 -4.904 5.658 -4.578 1.00 15.00 H new ATOM 644 N PRO B 182 -7.794 1.400 -2.980 1.00 15.00 N ATOM 645 CA PRO B 182 -8.783 0.619 -2.229 1.00 15.00 C ATOM 646 C PRO B 182 -8.593 0.829 -0.730 1.00 15.00 C ATOM 647 O PRO B 182 -7.480 1.096 -0.293 1.00 15.00 O ATOM 648 CB PRO B 182 -8.467 -0.840 -2.605 1.00 15.00 C ATOM 649 CG PRO B 182 -7.507 -0.772 -3.747 1.00 15.00 C ATOM 650 CD PRO B 182 -6.795 0.537 -3.616 1.00 15.00 C ATOM 0 HA PRO B 182 -9.810 0.903 -2.461 1.00 15.00 H new ATOM 0 HB2 PRO B 182 -8.032 -1.375 -1.761 1.00 15.00 H new ATOM 0 HB3 PRO B 182 -9.373 -1.375 -2.888 1.00 15.00 H new ATOM 0 HG2 PRO B 182 -6.803 -1.603 -3.714 1.00 15.00 H new ATOM 0 HG3 PRO B 182 -8.031 -0.836 -4.701 1.00 15.00 H new ATOM 0 HD2 PRO B 182 -5.895 0.447 -3.008 1.00 15.00 H new ATOM 0 HD3 PRO B 182 -6.486 0.926 -4.586 1.00 15.00 H new ATOM 658 N GLY B 183 -9.676 0.727 0.042 1.00 15.00 N ATOM 659 CA GLY B 183 -9.630 0.989 1.480 1.00 15.00 C ATOM 660 C GLY B 183 -8.494 0.281 2.219 1.00 15.00 C ATOM 661 O GLY B 183 -7.852 -0.629 1.692 1.00 15.00 O ATOM 0 H GLY B 183 -10.598 0.464 -0.306 1.00 15.00 H new ATOM 0 HA2 GLY B 183 -9.535 2.063 1.638 1.00 15.00 H new ATOM 0 HA3 GLY B 183 -10.579 0.685 1.922 1.00 15.00 H new ATOM 665 N TYR B 184 -8.297 0.654 3.477 1.00 15.00 N ATOM 666 CA TYR B 184 -7.146 0.201 4.242 1.00 15.00 C ATOM 667 C TYR B 184 -7.417 -1.118 4.999 1.00 15.00 C ATOM 668 O TYR B 184 -8.456 -1.276 5.642 1.00 15.00 O ATOM 669 CB TYR B 184 -6.672 1.318 5.200 1.00 15.00 C ATOM 670 CG TYR B 184 -6.050 0.801 6.474 1.00 15.00 C ATOM 671 CD1 TYR B 184 -4.786 0.238 6.492 1.00 15.00 C ATOM 672 CD2 TYR B 184 -6.762 0.863 7.666 1.00 15.00 C ATOM 673 CE1 TYR B 184 -4.247 -0.248 7.663 1.00 15.00 C ATOM 674 CE2 TYR B 184 -6.228 0.380 8.838 1.00 15.00 C ATOM 675 CZ TYR B 184 -4.970 -0.174 8.833 1.00 15.00 C ATOM 676 OH TYR B 184 -4.429 -0.654 10.001 1.00 15.00 O ATOM 0 H TYR B 184 -8.925 1.273 3.990 1.00 15.00 H new ATOM 0 HA TYR B 184 -6.346 -0.017 3.535 1.00 15.00 H new ATOM 0 HB2 TYR B 184 -5.948 1.946 4.681 1.00 15.00 H new ATOM 0 HB3 TYR B 184 -7.521 1.953 5.452 1.00 15.00 H new ATOM 0 HD1 TYR B 184 -4.215 0.179 5.577 1.00 15.00 H new ATOM 0 HD2 TYR B 184 -7.751 1.298 7.672 1.00 15.00 H new ATOM 0 HE1 TYR B 184 -3.260 -0.686 7.664 1.00 15.00 H new ATOM 0 HE2 TYR B 184 -6.794 0.436 9.756 1.00 15.00 H new ATOM 0 HH TYR B 184 -5.122 -0.688 10.693 1.00 15.00 H new ATOM 686 N LEU B 185 -6.431 -2.039 4.925 1.00 15.00 N ATOM 687 CA LEU B 185 -6.527 -3.390 5.473 1.00 15.00 C ATOM 688 C LEU B 185 -7.715 -4.156 4.956 1.00 15.00 C ATOM 689 O LEU B 185 -8.535 -4.687 5.707 1.00 15.00 O ATOM 690 CB LEU B 185 -6.432 -3.431 6.990 1.00 15.00 C ATOM 691 CG LEU B 185 -5.015 -3.595 7.506 1.00 15.00 C ATOM 692 CD1 LEU B 185 -4.998 -3.623 9.026 1.00 15.00 C ATOM 693 CD2 LEU B 185 -4.393 -4.866 6.946 1.00 15.00 C ATOM 0 H LEU B 185 -5.536 -1.851 4.473 1.00 15.00 H new ATOM 0 HA LEU B 185 -5.644 -3.909 5.100 1.00 15.00 H new ATOM 0 HB2 LEU B 185 -6.854 -2.512 7.397 1.00 15.00 H new ATOM 0 HB3 LEU B 185 -7.043 -4.254 7.362 1.00 15.00 H new ATOM 0 HG LEU B 185 -4.426 -2.741 7.172 1.00 15.00 H new ATOM 0 HD11 LEU B 185 -3.973 -3.741 9.376 1.00 15.00 H new ATOM 0 HD12 LEU B 185 -5.408 -2.690 9.412 1.00 15.00 H new ATOM 0 HD13 LEU B 185 -5.601 -4.458 9.381 1.00 15.00 H new ATOM 0 HD21 LEU B 185 -3.376 -4.971 7.325 1.00 15.00 H new ATOM 0 HD22 LEU B 185 -4.986 -5.727 7.254 1.00 15.00 H new ATOM 0 HD23 LEU B 185 -4.371 -4.811 5.858 1.00 15.00 H new ATOM 705 N SER B 186 -7.780 -4.187 3.652 1.00 15.00 N ATOM 706 CA SER B 186 -8.583 -5.133 2.938 1.00 15.00 C ATOM 707 C SER B 186 -7.691 -5.717 1.862 1.00 15.00 C ATOM 708 O SER B 186 -7.456 -5.090 0.837 1.00 15.00 O ATOM 709 CB SER B 186 -9.799 -4.422 2.348 1.00 15.00 C ATOM 710 OG SER B 186 -10.506 -5.234 1.420 1.00 15.00 O ATOM 0 H SER B 186 -7.267 -3.544 3.050 1.00 15.00 H new ATOM 0 HA SER B 186 -8.962 -5.928 3.580 1.00 15.00 H new ATOM 0 HB2 SER B 186 -10.471 -4.128 3.154 1.00 15.00 H new ATOM 0 HB3 SER B 186 -9.476 -3.506 1.853 1.00 15.00 H new ATOM 0 HG SER B 186 -11.276 -4.738 1.071 1.00 15.00 H new ATOM 716 N GLU B 187 -7.158 -6.896 2.128 1.00 15.00 N ATOM 717 CA GLU B 187 -6.129 -7.472 1.280 1.00 15.00 C ATOM 718 C GLU B 187 -6.501 -8.902 0.922 1.00 15.00 C ATOM 719 O GLU B 187 -6.475 -9.794 1.774 1.00 15.00 O ATOM 720 CB GLU B 187 -4.750 -7.395 1.975 1.00 15.00 C ATOM 721 CG GLU B 187 -4.295 -5.976 2.266 1.00 15.00 C ATOM 722 CD GLU B 187 -3.869 -5.236 1.020 1.00 15.00 C ATOM 723 OE1 GLU B 187 -2.711 -5.403 0.602 1.00 15.00 O ATOM 724 OE2 GLU B 187 -4.689 -4.475 0.465 1.00 15.00 O1- ATOM 0 H GLU B 187 -7.421 -7.474 2.926 1.00 15.00 H new ATOM 0 HA GLU B 187 -6.058 -6.899 0.355 1.00 15.00 H new ATOM 0 HB2 GLU B 187 -4.792 -7.953 2.910 1.00 15.00 H new ATOM 0 HB3 GLU B 187 -4.007 -7.884 1.345 1.00 15.00 H new ATOM 0 HG2 GLU B 187 -5.106 -5.430 2.749 1.00 15.00 H new ATOM 0 HG3 GLU B 187 -3.464 -6.002 2.971 1.00 15.00 H new