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 388 ASN : amide:sc= -0.0285 K(o=-0.028,f=-0.85) USER MOD Set 1.2: A 390 THR OG1 : rot -160:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 381 THR OG1 : rot -176:sc= -1.7! USER MOD Single : A 382 TYR OH : rot 52:sc= 1.85 USER MOD Single : A 383 TYR OH : rot 165:sc= -0.127 USER MOD Single : A 385 ASN :FLIP amide:sc= -4.33! C(o=-6.9!,f=-4.3!) USER MOD Single : A 386 HIS : no HD1:sc= -7.48! C(o=-7.5!,f=-11!) USER MOD Single : A 387 ASN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 391 THR OG1 : rot 80:sc= 0.0202 USER MOD Single : A 392 THR OG1 : rot 150:sc= -0.949 USER MOD Single : A 394 THR OG1 : rot 180:sc= 0 USER MOD Single : B 184 TYR OH : rot 180:sc= -1.2! USER MOD Single : B 186 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 368 8.411 -2.739 3.100 1.00 15.00 N ATOM 28 CA PRO A 368 8.481 -2.470 4.518 1.00 15.00 C ATOM 29 C PRO A 368 7.430 -3.278 5.272 1.00 15.00 C ATOM 30 O PRO A 368 6.224 -3.141 5.044 1.00 15.00 O ATOM 31 CB PRO A 368 8.171 -0.979 4.594 1.00 15.00 C ATOM 32 CG PRO A 368 7.224 -0.750 3.470 1.00 15.00 C ATOM 33 CD PRO A 368 7.611 -1.733 2.393 1.00 15.00 C ATOM 0 HA PRO A 368 9.439 -2.737 4.963 1.00 15.00 H new ATOM 0 HB2 PRO A 368 7.725 -0.713 5.552 1.00 15.00 H new ATOM 0 HB3 PRO A 368 9.073 -0.378 4.484 1.00 15.00 H new ATOM 0 HG2 PRO A 368 6.194 -0.907 3.790 1.00 15.00 H new ATOM 0 HG3 PRO A 368 7.292 0.275 3.105 1.00 15.00 H new ATOM 0 HD2 PRO A 368 6.733 -2.178 1.925 1.00 15.00 H new ATOM 0 HD3 PRO A 368 8.185 -1.252 1.601 1.00 15.00 H new ATOM 41 N SER A 369 7.905 -4.127 6.157 1.00 15.00 N ATOM 42 CA SER A 369 7.055 -5.067 6.858 1.00 15.00 C ATOM 43 C SER A 369 6.145 -4.333 7.844 1.00 15.00 C ATOM 44 O SER A 369 6.625 -3.610 8.717 1.00 15.00 O ATOM 45 CB SER A 369 7.930 -6.059 7.613 1.00 15.00 C ATOM 46 OG SER A 369 8.939 -6.582 6.768 1.00 15.00 O ATOM 0 H SER A 369 8.891 -4.186 6.412 1.00 15.00 H new ATOM 0 HA SER A 369 6.431 -5.593 6.135 1.00 15.00 H new ATOM 0 HB2 SER A 369 8.387 -5.568 8.472 1.00 15.00 H new ATOM 0 HB3 SER A 369 7.316 -6.872 8.000 1.00 15.00 H new ATOM 0 HG SER A 369 9.491 -7.216 7.272 1.00 15.00 H new ATOM 52 N GLY A 370 4.835 -4.510 7.698 1.00 15.00 N ATOM 53 CA GLY A 370 3.899 -3.784 8.517 1.00 15.00 C ATOM 54 C GLY A 370 2.752 -3.292 7.678 1.00 15.00 C ATOM 55 O GLY A 370 1.729 -2.847 8.194 1.00 15.00 O ATOM 0 H GLY A 370 4.411 -5.147 7.023 1.00 15.00 H new ATOM 0 HA2 GLY A 370 3.527 -4.427 9.315 1.00 15.00 H new ATOM 0 HA3 GLY A 370 4.399 -2.941 8.994 1.00 15.00 H new ATOM 59 N TRP A 371 2.971 -3.283 6.369 1.00 15.00 N ATOM 60 CA TRP A 371 1.921 -3.089 5.411 1.00 15.00 C ATOM 61 C TRP A 371 1.686 -4.377 4.624 1.00 15.00 C ATOM 62 O TRP A 371 2.595 -5.197 4.505 1.00 15.00 O ATOM 63 CB TRP A 371 2.340 -2.007 4.434 1.00 15.00 C ATOM 64 CG TRP A 371 2.940 -0.773 5.048 1.00 15.00 C ATOM 65 CD1 TRP A 371 3.672 -0.657 6.186 1.00 15.00 C ATOM 66 CD2 TRP A 371 2.853 0.524 4.508 1.00 15.00 C ATOM 67 NE1 TRP A 371 4.049 0.642 6.374 1.00 15.00 N ATOM 68 CE2 TRP A 371 3.552 1.397 5.348 1.00 15.00 C ATOM 69 CE3 TRP A 371 2.239 1.007 3.390 1.00 15.00 C ATOM 70 CZ2 TRP A 371 3.648 2.761 5.084 1.00 15.00 C ATOM 71 CZ3 TRP A 371 2.316 2.362 3.109 1.00 15.00 C ATOM 72 CH2 TRP A 371 3.021 3.229 3.959 1.00 15.00 C ATOM 0 H TRP A 371 3.893 -3.412 5.952 1.00 15.00 H new ATOM 0 HA TRP A 371 1.009 -2.806 5.936 1.00 15.00 H new ATOM 0 HB2 TRP A 371 3.062 -2.432 3.737 1.00 15.00 H new ATOM 0 HB3 TRP A 371 1.468 -1.713 3.850 1.00 15.00 H new ATOM 0 HD1 TRP A 371 3.920 -1.474 6.847 1.00 15.00 H new ATOM 0 HE1 TRP A 371 4.609 0.991 7.152 1.00 15.00 H new ATOM 0 HE3 TRP A 371 1.700 0.342 2.732 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 4.194 3.423 5.739 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 1.829 2.754 2.228 1.00 15.00 H new ATOM 0 HH2 TRP A 371 3.070 4.282 3.722 1.00 15.00 H new ATOM 83 N GLU A 372 0.484 -4.551 4.075 1.00 15.00 N ATOM 84 CA GLU A 372 0.270 -5.619 3.108 1.00 15.00 C ATOM 85 C GLU A 372 0.356 -4.994 1.725 1.00 15.00 C ATOM 86 O GLU A 372 -0.159 -3.895 1.518 1.00 15.00 O ATOM 87 CB GLU A 372 -1.094 -6.339 3.272 1.00 15.00 C ATOM 88 CG GLU A 372 -1.607 -6.447 4.697 1.00 15.00 C ATOM 89 CD GLU A 372 -0.809 -7.406 5.556 1.00 15.00 C ATOM 90 OE1 GLU A 372 -1.145 -8.605 5.581 1.00 15.00 O1- ATOM 91 OE2 GLU A 372 0.133 -6.953 6.240 1.00 15.00 O ATOM 0 H GLU A 372 -0.336 -3.980 4.279 1.00 15.00 H new ATOM 0 HA GLU A 372 1.030 -6.384 3.266 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.838 -5.811 2.675 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -1.007 -7.344 2.858 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -1.589 -5.459 5.157 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.648 -6.770 4.676 1.00 15.00 H new ATOM 98 N GLU A 373 1.010 -5.651 0.784 1.00 15.00 N ATOM 99 CA GLU A 373 1.129 -5.071 -0.543 1.00 15.00 C ATOM 100 C GLU A 373 0.120 -5.669 -1.494 1.00 15.00 C ATOM 101 O GLU A 373 -0.234 -6.846 -1.400 1.00 15.00 O ATOM 102 CB GLU A 373 2.518 -5.236 -1.141 1.00 15.00 C ATOM 103 CG GLU A 373 3.005 -6.673 -1.204 1.00 15.00 C ATOM 104 CD GLU A 373 4.019 -6.892 -2.308 1.00 15.00 C ATOM 105 OE1 GLU A 373 3.719 -6.555 -3.471 1.00 15.00 O1- ATOM 106 OE2 GLU A 373 5.119 -7.410 -2.024 1.00 15.00 O ATOM 0 H GLU A 373 1.455 -6.560 0.906 1.00 15.00 H new ATOM 0 HA GLU A 373 0.937 -4.006 -0.414 1.00 15.00 H new ATOM 0 HB2 GLU A 373 2.519 -4.820 -2.149 1.00 15.00 H new ATOM 0 HB3 GLU A 373 3.225 -4.650 -0.554 1.00 15.00 H new ATOM 0 HG2 GLU A 373 3.450 -6.945 -0.247 1.00 15.00 H new ATOM 0 HG3 GLU A 373 2.154 -7.336 -1.360 1.00 15.00 H new ATOM 113 N ARG A 374 -0.282 -4.863 -2.449 1.00 15.00 N ATOM 114 CA ARG A 374 -1.241 -5.286 -3.455 1.00 15.00 C ATOM 115 C ARG A 374 -1.016 -4.557 -4.769 1.00 15.00 C ATOM 116 O ARG A 374 -1.231 -3.348 -4.871 1.00 15.00 O ATOM 117 CB ARG A 374 -2.691 -5.082 -2.995 1.00 15.00 C ATOM 118 CG ARG A 374 -3.214 -6.206 -2.117 1.00 15.00 C ATOM 119 CD ARG A 374 -4.709 -6.405 -2.301 1.00 15.00 C ATOM 120 NE ARG A 374 -5.500 -5.366 -1.649 1.00 15.00 N ATOM 121 CZ ARG A 374 -6.739 -5.040 -2.010 1.00 15.00 C ATOM 122 NH1 ARG A 374 -7.316 -5.649 -3.040 1.00 15.00 N1+ ATOM 123 NH2 ARG A 374 -7.402 -4.105 -1.345 1.00 15.00 N ATOM 0 H ARG A 374 0.041 -3.901 -2.554 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.080 -6.353 -3.605 1.00 15.00 H new ATOM 0 HB2 ARG A 374 -2.761 -4.142 -2.448 1.00 15.00 H new ATOM 0 HB3 ARG A 374 -3.332 -4.989 -3.872 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -2.690 -7.131 -2.358 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -3.001 -5.982 -1.072 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -4.941 -6.418 -3.366 1.00 15.00 H new ATOM 0 HD3 ARG A 374 -4.994 -7.378 -1.900 1.00 15.00 H new ATOM 0 HE ARG A 374 -5.078 -4.860 -0.870 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -6.809 -6.368 -3.556 1.00 15.00 H new ATOM 0 HH12 ARG A 374 -8.266 -5.397 -3.315 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -6.963 -3.633 -0.554 1.00 15.00 H new ATOM 0 HH22 ARG A 374 -8.351 -3.857 -1.624 1.00 15.00 H new ATOM 137 N LYS A 375 -0.553 -5.296 -5.760 1.00 15.00 N ATOM 138 CA LYS A 375 -0.459 -4.783 -7.110 1.00 15.00 C ATOM 139 C LYS A 375 -1.698 -5.207 -7.885 1.00 15.00 C ATOM 140 O LYS A 375 -1.833 -6.373 -8.255 1.00 15.00 O ATOM 141 CB LYS A 375 0.804 -5.306 -7.803 1.00 15.00 C ATOM 142 CG LYS A 375 0.934 -4.862 -9.254 1.00 15.00 C ATOM 143 CD LYS A 375 2.138 -5.498 -9.925 1.00 15.00 C ATOM 144 CE LYS A 375 2.222 -5.121 -11.396 1.00 15.00 C ATOM 145 NZ LYS A 375 3.331 -5.834 -12.082 1.00 15.00 N1+ ATOM 0 H LYS A 375 -0.235 -6.259 -5.652 1.00 15.00 H new ATOM 0 HA LYS A 375 -0.397 -3.695 -7.078 1.00 15.00 H new ATOM 0 HB2 LYS A 375 1.679 -4.967 -7.249 1.00 15.00 H new ATOM 0 HB3 LYS A 375 0.805 -6.395 -7.764 1.00 15.00 H new ATOM 0 HG2 LYS A 375 0.029 -5.129 -9.800 1.00 15.00 H new ATOM 0 HG3 LYS A 375 1.024 -3.777 -9.297 1.00 15.00 H new ATOM 0 HD2 LYS A 375 3.048 -5.183 -9.415 1.00 15.00 H new ATOM 0 HD3 LYS A 375 2.078 -6.582 -9.829 1.00 15.00 H new ATOM 0 HE2 LYS A 375 1.278 -5.357 -11.887 1.00 15.00 H new ATOM 0 HE3 LYS A 375 2.369 -4.045 -11.488 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 3.358 -5.553 -13.083 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 4.234 -5.589 -11.629 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 3.178 -6.860 -12.015 1.00 15.00 H new ATOM 159 N ASP A 376 -2.622 -4.283 -8.102 1.00 15.00 N ATOM 160 CA ASP A 376 -3.855 -4.632 -8.777 1.00 15.00 C ATOM 161 C ASP A 376 -3.675 -4.448 -10.284 1.00 15.00 C ATOM 162 O ASP A 376 -3.119 -3.432 -10.727 1.00 15.00 O ATOM 163 CB ASP A 376 -5.023 -3.778 -8.271 1.00 15.00 C ATOM 164 CG ASP A 376 -6.366 -4.360 -8.670 1.00 15.00 C ATOM 165 OD1 ASP A 376 -6.639 -4.463 -9.884 1.00 15.00 O1- ATOM 166 OD2 ASP A 376 -7.144 -4.734 -7.770 1.00 15.00 O ATOM 0 H ASP A 376 -2.542 -3.305 -7.825 1.00 15.00 H new ATOM 0 HA ASP A 376 -4.090 -5.674 -8.562 1.00 15.00 H new ATOM 0 HB2 ASP A 376 -4.970 -3.698 -7.185 1.00 15.00 H new ATOM 0 HB3 ASP A 376 -4.933 -2.767 -8.669 1.00 15.00 H new ATOM 171 N ALA A 377 -4.177 -5.408 -11.070 1.00 15.00 N ATOM 172 CA ALA A 377 -3.979 -5.421 -12.517 1.00 15.00 C ATOM 173 C ALA A 377 -4.667 -4.241 -13.194 1.00 15.00 C ATOM 174 O ALA A 377 -4.504 -4.029 -14.396 1.00 15.00 O ATOM 175 CB ALA A 377 -4.487 -6.728 -13.103 1.00 15.00 C ATOM 0 H ALA A 377 -4.728 -6.192 -10.720 1.00 15.00 H new ATOM 0 HA ALA A 377 -2.909 -5.331 -12.704 1.00 15.00 H new ATOM 0 HB1 ALA A 377 -4.334 -6.727 -14.182 1.00 15.00 H new ATOM 0 HB2 ALA A 377 -3.942 -7.562 -12.660 1.00 15.00 H new ATOM 0 HB3 ALA A 377 -5.550 -6.835 -12.887 1.00 15.00 H new ATOM 181 N LYS A 378 -5.433 -3.478 -12.423 1.00 15.00 N ATOM 182 CA LYS A 378 -6.042 -2.255 -12.921 1.00 15.00 C ATOM 183 C LYS A 378 -4.977 -1.180 -13.158 1.00 15.00 C ATOM 184 O LYS A 378 -5.271 -0.082 -13.633 1.00 15.00 O ATOM 185 CB LYS A 378 -7.115 -1.763 -11.946 1.00 15.00 C ATOM 186 CG LYS A 378 -6.598 -1.393 -10.561 1.00 15.00 C ATOM 187 CD LYS A 378 -7.755 -1.133 -9.608 1.00 15.00 C ATOM 188 CE LYS A 378 -7.304 -0.488 -8.310 1.00 15.00 C ATOM 189 NZ LYS A 378 -8.456 0.062 -7.543 1.00 15.00 N1+ ATOM 0 H LYS A 378 -5.646 -3.687 -11.448 1.00 15.00 H new ATOM 0 HA LYS A 378 -6.521 -2.466 -13.877 1.00 15.00 H new ATOM 0 HB2 LYS A 378 -7.608 -0.893 -12.379 1.00 15.00 H new ATOM 0 HB3 LYS A 378 -7.873 -2.539 -11.840 1.00 15.00 H new ATOM 0 HG2 LYS A 378 -5.974 -2.198 -10.173 1.00 15.00 H new ATOM 0 HG3 LYS A 378 -5.968 -0.506 -10.627 1.00 15.00 H new ATOM 0 HD2 LYS A 378 -8.486 -0.488 -10.096 1.00 15.00 H new ATOM 0 HD3 LYS A 378 -8.258 -2.074 -9.387 1.00 15.00 H new ATOM 0 HE2 LYS A 378 -6.778 -1.223 -7.701 1.00 15.00 H new ATOM 0 HE3 LYS A 378 -6.595 0.311 -8.527 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 -8.112 0.495 -6.662 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 -8.942 0.781 -8.115 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 -9.119 -0.706 -7.315 1.00 15.00 H new ATOM 203 N GLY A 379 -3.731 -1.519 -12.838 1.00 15.00 N ATOM 204 CA GLY A 379 -2.616 -0.629 -13.101 1.00 15.00 C ATOM 205 C GLY A 379 -2.337 0.302 -11.945 1.00 15.00 C ATOM 206 O GLY A 379 -1.686 1.331 -12.109 1.00 15.00 O ATOM 0 H GLY A 379 -3.474 -2.402 -12.398 1.00 15.00 H new ATOM 0 HA2 GLY A 379 -1.725 -1.220 -13.311 1.00 15.00 H new ATOM 0 HA3 GLY A 379 -2.827 -0.041 -13.995 1.00 15.00 H new ATOM 210 N ARG A 380 -2.808 -0.066 -10.767 1.00 15.00 N ATOM 211 CA ARG A 380 -2.630 0.767 -9.593 1.00 15.00 C ATOM 212 C ARG A 380 -2.155 -0.070 -8.398 1.00 15.00 C ATOM 213 O ARG A 380 -2.903 -0.887 -7.856 1.00 15.00 O ATOM 214 CB ARG A 380 -3.927 1.537 -9.282 1.00 15.00 C ATOM 215 CG ARG A 380 -4.054 2.834 -10.082 1.00 15.00 C ATOM 216 CD ARG A 380 -5.420 3.508 -9.932 1.00 15.00 C ATOM 217 NE ARG A 380 -6.451 2.911 -10.800 1.00 15.00 N ATOM 218 CZ ARG A 380 -6.485 3.034 -12.132 1.00 15.00 C ATOM 219 NH1 ARG A 380 -5.503 3.623 -12.799 1.00 15.00 N1+ ATOM 220 NH2 ARG A 380 -7.518 2.549 -12.793 1.00 15.00 N ATOM 0 H ARG A 380 -3.316 -0.935 -10.599 1.00 15.00 H new ATOM 0 HA ARG A 380 -1.852 1.503 -9.796 1.00 15.00 H new ATOM 0 HB2 ARG A 380 -4.784 0.898 -9.497 1.00 15.00 H new ATOM 0 HB3 ARG A 380 -3.960 1.768 -8.217 1.00 15.00 H new ATOM 0 HG2 ARG A 380 -3.277 3.528 -9.761 1.00 15.00 H new ATOM 0 HG3 ARG A 380 -3.876 2.621 -11.136 1.00 15.00 H new ATOM 0 HD2 ARG A 380 -5.742 3.439 -8.893 1.00 15.00 H new ATOM 0 HD3 ARG A 380 -5.324 4.568 -10.166 1.00 15.00 H new ATOM 0 HE ARG A 380 -7.190 2.367 -10.354 1.00 15.00 H new ATOM 0 HH11 ARG A 380 -4.697 3.995 -12.297 1.00 15.00 H new ATOM 0 HH12 ARG A 380 -5.553 3.704 -13.815 1.00 15.00 H new ATOM 0 HH21 ARG A 380 -8.276 2.088 -12.289 1.00 15.00 H new ATOM 0 HH22 ARG A 380 -7.559 2.634 -13.809 1.00 15.00 H new ATOM 234 N THR A 381 -0.882 0.105 -8.034 1.00 15.00 N ATOM 235 CA THR A 381 -0.273 -0.618 -6.921 1.00 15.00 C ATOM 236 C THR A 381 -0.261 0.254 -5.669 1.00 15.00 C ATOM 237 O THR A 381 0.142 1.417 -5.727 1.00 15.00 O ATOM 238 CB THR A 381 1.174 -1.020 -7.278 1.00 15.00 C ATOM 239 OG1 THR A 381 1.177 -1.831 -8.461 1.00 15.00 O ATOM 240 CG2 THR A 381 1.857 -1.764 -6.130 1.00 15.00 C ATOM 0 H THR A 381 -0.248 0.751 -8.503 1.00 15.00 H new ATOM 0 HA THR A 381 -0.861 -1.515 -6.729 1.00 15.00 H new ATOM 0 HB THR A 381 1.739 -0.105 -7.460 1.00 15.00 H new ATOM 0 HG1 THR A 381 2.090 -2.134 -8.647 1.00 15.00 H new ATOM 0 HG21 THR A 381 2.873 -2.029 -6.422 1.00 15.00 H new ATOM 0 HG22 THR A 381 1.888 -1.123 -5.249 1.00 15.00 H new ATOM 0 HG23 THR A 381 1.297 -2.671 -5.900 1.00 15.00 H new ATOM 248 N TYR A 382 -0.699 -0.296 -4.543 1.00 15.00 N ATOM 249 CA TYR A 382 -0.789 0.483 -3.319 1.00 15.00 C ATOM 250 C TYR A 382 -0.341 -0.335 -2.117 1.00 15.00 C ATOM 251 O TYR A 382 -0.464 -1.564 -2.103 1.00 15.00 O ATOM 252 CB TYR A 382 -2.216 0.997 -3.119 1.00 15.00 C ATOM 253 CG TYR A 382 -3.133 0.088 -2.336 1.00 15.00 C ATOM 254 CD1 TYR A 382 -3.541 -1.149 -2.819 1.00 15.00 C ATOM 255 CD2 TYR A 382 -3.601 0.496 -1.104 1.00 15.00 C ATOM 256 CE1 TYR A 382 -4.391 -1.953 -2.080 1.00 15.00 C ATOM 257 CE2 TYR A 382 -4.448 -0.292 -0.364 1.00 15.00 C ATOM 258 CZ TYR A 382 -4.844 -1.516 -0.852 1.00 15.00 C ATOM 259 OH TYR A 382 -5.695 -2.303 -0.111 1.00 15.00 O ATOM 0 H TYR A 382 -0.994 -1.268 -4.454 1.00 15.00 H new ATOM 0 HA TYR A 382 -0.120 1.339 -3.410 1.00 15.00 H new ATOM 0 HB2 TYR A 382 -2.168 1.960 -2.611 1.00 15.00 H new ATOM 0 HB3 TYR A 382 -2.660 1.175 -4.099 1.00 15.00 H new ATOM 0 HD1 TYR A 382 -3.191 -1.487 -3.783 1.00 15.00 H new ATOM 0 HD2 TYR A 382 -3.295 1.455 -0.713 1.00 15.00 H new ATOM 0 HE1 TYR A 382 -4.698 -2.916 -2.462 1.00 15.00 H new ATOM 0 HE2 TYR A 382 -4.802 0.048 0.598 1.00 15.00 H new ATOM 0 HH TYR A 382 -5.314 -3.201 -0.019 1.00 15.00 H new ATOM 269 N TYR A 383 0.196 0.350 -1.122 1.00 15.00 N ATOM 270 CA TYR A 383 0.641 -0.297 0.098 1.00 15.00 C ATOM 271 C TYR A 383 -0.200 0.190 1.283 1.00 15.00 C ATOM 272 O TYR A 383 -0.458 1.387 1.415 1.00 15.00 O ATOM 273 CB TYR A 383 2.129 -0.019 0.322 1.00 15.00 C ATOM 274 CG TYR A 383 2.992 -0.409 -0.854 1.00 15.00 C ATOM 275 CD1 TYR A 383 3.388 -1.727 -1.034 1.00 15.00 C ATOM 276 CD2 TYR A 383 3.395 0.534 -1.792 1.00 15.00 C ATOM 277 CE1 TYR A 383 4.165 -2.093 -2.113 1.00 15.00 C ATOM 278 CE2 TYR A 383 4.169 0.174 -2.872 1.00 15.00 C ATOM 279 CZ TYR A 383 4.552 -1.142 -3.029 1.00 15.00 C ATOM 280 OH TYR A 383 5.333 -1.511 -4.102 1.00 15.00 O ATOM 0 H TYR A 383 0.335 1.360 -1.137 1.00 15.00 H new ATOM 0 HA TYR A 383 0.508 -1.375 0.008 1.00 15.00 H new ATOM 0 HB2 TYR A 383 2.266 1.042 0.529 1.00 15.00 H new ATOM 0 HB3 TYR A 383 2.464 -0.562 1.206 1.00 15.00 H new ATOM 0 HD1 TYR A 383 3.083 -2.477 -0.319 1.00 15.00 H new ATOM 0 HD2 TYR A 383 3.096 1.565 -1.672 1.00 15.00 H new ATOM 0 HE1 TYR A 383 4.468 -3.122 -2.238 1.00 15.00 H new ATOM 0 HE2 TYR A 383 4.475 0.918 -3.593 1.00 15.00 H new ATOM 0 HH TYR A 383 5.328 -0.796 -4.772 1.00 15.00 H new ATOM 290 N VAL A 384 -0.611 -0.738 2.146 1.00 15.00 N ATOM 291 CA VAL A 384 -1.540 -0.430 3.238 1.00 15.00 C ATOM 292 C VAL A 384 -0.860 -0.525 4.582 1.00 15.00 C ATOM 293 O VAL A 384 -0.524 -1.616 5.023 1.00 15.00 O ATOM 294 CB VAL A 384 -2.703 -1.426 3.272 1.00 15.00 C ATOM 295 CG1 VAL A 384 -4.026 -0.722 3.483 1.00 15.00 C ATOM 296 CG2 VAL A 384 -2.706 -2.258 2.017 1.00 15.00 C ATOM 0 H VAL A 384 -0.315 -1.714 2.112 1.00 15.00 H new ATOM 0 HA VAL A 384 -1.896 0.583 3.054 1.00 15.00 H new ATOM 0 HB VAL A 384 -2.564 -2.094 4.122 1.00 15.00 H new ATOM 0 HG11 VAL A 384 -4.830 -1.457 3.502 1.00 15.00 H new ATOM 0 HG12 VAL A 384 -4.004 -0.183 4.430 1.00 15.00 H new ATOM 0 HG13 VAL A 384 -4.197 -0.018 2.669 1.00 15.00 H new ATOM 0 HG21 VAL A 384 -3.536 -2.963 2.050 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -2.817 -1.607 1.149 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -1.767 -2.806 1.942 1.00 15.00 H new ATOM 306 N ASN A 385 -0.697 0.583 5.264 1.00 15.00 N ATOM 307 CA ASN A 385 0.009 0.564 6.528 1.00 15.00 C ATOM 308 C ASN A 385 -0.943 0.317 7.696 1.00 15.00 C ATOM 309 O ASN A 385 -1.907 1.054 7.854 1.00 15.00 O ATOM 310 CB ASN A 385 0.722 1.881 6.775 1.00 15.00 C ATOM 311 CG ASN A 385 1.523 1.823 8.051 1.00 15.00 C ATOM 312 OD1 ASN A 385 2.035 0.641 8.356 1.00 15.00 O flip ATOM 313 ND2 ASN A 385 1.685 2.812 8.749 1.00 15.00 N flip ATOM 0 H ASN A 385 -1.037 1.499 4.973 1.00 15.00 H new ATOM 0 HA ASN A 385 0.733 -0.248 6.466 1.00 15.00 H new ATOM 0 HB2 ASN A 385 1.381 2.106 5.936 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -0.007 2.689 6.834 1.00 15.00 H new ATOM 0 HD21 ASN A 385 1.272 3.703 8.475 1.00 15.00 H new ATOM 0 HD22 ASN A 385 2.234 2.747 9.606 1.00 15.00 H new ATOM 320 N HIS A 386 -0.660 -0.683 8.540 1.00 15.00 N ATOM 321 CA HIS A 386 -1.530 -0.978 9.680 1.00 15.00 C ATOM 322 C HIS A 386 -1.107 -0.149 10.865 1.00 15.00 C ATOM 323 O HIS A 386 -1.833 -0.004 11.844 1.00 15.00 O ATOM 324 CB HIS A 386 -1.498 -2.466 10.074 1.00 15.00 C ATOM 325 CG HIS A 386 -1.229 -3.357 8.920 1.00 15.00 C ATOM 326 ND1 HIS A 386 -1.496 -2.954 7.648 1.00 15.00 N ATOM 327 CD2 HIS A 386 -0.551 -4.519 8.813 1.00 15.00 C ATOM 328 CE1 HIS A 386 -0.981 -3.790 6.808 1.00 15.00 C ATOM 329 NE2 HIS A 386 -0.409 -4.767 7.477 1.00 15.00 N ATOM 0 H HIS A 386 0.153 -1.293 8.456 1.00 15.00 H new ATOM 0 HA HIS A 386 -2.549 -0.734 9.380 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -0.732 -2.620 10.833 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -2.452 -2.739 10.524 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -0.191 -5.133 9.625 1.00 15.00 H new ATOM 0 HE1 HIS A 386 -1.015 -3.701 5.732 1.00 15.00 H new ATOM 0 HE2 HIS A 386 0.061 -5.574 7.067 1.00 15.00 H new ATOM 338 N ASN A 387 0.081 0.392 10.739 1.00 15.00 N ATOM 339 CA ASN A 387 0.769 1.036 11.822 1.00 15.00 C ATOM 340 C ASN A 387 0.302 2.484 11.969 1.00 15.00 C ATOM 341 O ASN A 387 0.422 3.087 13.035 1.00 15.00 O ATOM 342 CB ASN A 387 2.263 0.940 11.521 1.00 15.00 C ATOM 343 CG ASN A 387 3.147 1.475 12.633 1.00 15.00 C ATOM 344 OD1 ASN A 387 2.753 1.242 13.876 1.00 15.00 O flip ATOM 345 ND2 ASN A 387 4.194 2.067 12.377 1.00 15.00 N flip ATOM 0 H ASN A 387 0.603 0.395 9.863 1.00 15.00 H new ATOM 0 HA ASN A 387 0.554 0.551 12.774 1.00 15.00 H new ATOM 0 HB2 ASN A 387 2.520 -0.103 11.335 1.00 15.00 H new ATOM 0 HB3 ASN A 387 2.476 1.490 10.604 1.00 15.00 H new ATOM 0 HD21 ASN A 387 4.465 2.228 11.407 1.00 15.00 H new ATOM 0 HD22 ASN A 387 4.792 2.397 13.135 1.00 15.00 H new ATOM 352 N ASN A 388 -0.198 3.042 10.874 1.00 15.00 N ATOM 353 CA ASN A 388 -0.811 4.369 10.890 1.00 15.00 C ATOM 354 C ASN A 388 -2.267 4.290 10.432 1.00 15.00 C ATOM 355 O ASN A 388 -3.037 5.238 10.597 1.00 15.00 O ATOM 356 CB ASN A 388 -0.036 5.342 9.999 1.00 15.00 C ATOM 357 CG ASN A 388 -0.474 6.782 10.196 1.00 15.00 C ATOM 358 OD1 ASN A 388 -0.840 7.186 11.299 1.00 15.00 O ATOM 359 ND2 ASN A 388 -0.461 7.561 9.127 1.00 15.00 N ATOM 0 H ASN A 388 -0.192 2.595 9.957 1.00 15.00 H new ATOM 0 HA ASN A 388 -0.780 4.740 11.914 1.00 15.00 H new ATOM 0 HB2 ASN A 388 1.029 5.257 10.213 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -0.174 5.063 8.955 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -0.761 8.533 9.201 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -0.151 7.190 8.229 1.00 15.00 H new ATOM 366 N ARG A 389 -2.621 3.151 9.825 1.00 15.00 N ATOM 367 CA ARG A 389 -3.942 2.944 9.220 1.00 15.00 C ATOM 368 C ARG A 389 -4.077 3.781 7.950 1.00 15.00 C ATOM 369 O ARG A 389 -4.780 4.790 7.929 1.00 15.00 O ATOM 370 CB ARG A 389 -5.086 3.262 10.190 1.00 15.00 C ATOM 371 CG ARG A 389 -4.976 2.566 11.538 1.00 15.00 C ATOM 372 CD ARG A 389 -6.146 2.930 12.434 1.00 15.00 C ATOM 373 NE ARG A 389 -6.351 4.378 12.495 1.00 15.00 N ATOM 374 CZ ARG A 389 -7.142 4.989 13.370 1.00 15.00 C ATOM 375 NH1 ARG A 389 -7.739 4.299 14.334 1.00 15.00 N1+ ATOM 376 NH2 ARG A 389 -7.318 6.302 13.285 1.00 15.00 N ATOM 0 H ARG A 389 -2.000 2.347 9.739 1.00 15.00 H new ATOM 0 HA ARG A 389 -4.019 1.886 8.968 1.00 15.00 H new ATOM 0 HB2 ARG A 389 -5.120 4.339 10.352 1.00 15.00 H new ATOM 0 HB3 ARG A 389 -6.030 2.980 9.725 1.00 15.00 H new ATOM 0 HG2 ARG A 389 -4.947 1.486 11.393 1.00 15.00 H new ATOM 0 HG3 ARG A 389 -4.041 2.848 12.022 1.00 15.00 H new ATOM 0 HD2 ARG A 389 -7.051 2.450 12.063 1.00 15.00 H new ATOM 0 HD3 ARG A 389 -5.969 2.545 13.438 1.00 15.00 H new ATOM 0 HE ARG A 389 -5.852 4.957 11.820 1.00 15.00 H new ATOM 0 HH11 ARG A 389 -7.592 3.292 14.407 1.00 15.00 H new ATOM 0 HH12 ARG A 389 -8.345 4.775 15.002 1.00 15.00 H new ATOM 0 HH21 ARG A 389 -6.848 6.833 12.552 1.00 15.00 H new ATOM 0 HH22 ARG A 389 -7.924 6.780 13.952 1.00 15.00 H new ATOM 390 N THR A 390 -3.349 3.395 6.908 1.00 15.00 N ATOM 391 CA THR A 390 -3.249 4.219 5.713 1.00 15.00 C ATOM 392 C THR A 390 -3.239 3.384 4.416 1.00 15.00 C ATOM 393 O THR A 390 -2.785 2.241 4.419 1.00 15.00 O ATOM 394 CB THR A 390 -1.963 5.084 5.803 1.00 15.00 C ATOM 395 OG1 THR A 390 -2.133 6.114 6.785 1.00 15.00 O ATOM 396 CG2 THR A 390 -1.552 5.700 4.466 1.00 15.00 C ATOM 0 H THR A 390 -2.823 2.522 6.868 1.00 15.00 H new ATOM 0 HA THR A 390 -4.133 4.854 5.669 1.00 15.00 H new ATOM 0 HB THR A 390 -1.156 4.413 6.097 1.00 15.00 H new ATOM 0 HG1 THR A 390 -1.482 6.829 6.625 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.646 6.291 4.601 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.363 4.907 3.743 1.00 15.00 H new ATOM 0 HG23 THR A 390 -2.353 6.342 4.099 1.00 15.00 H new ATOM 404 N THR A 391 -3.759 3.962 3.323 1.00 15.00 N ATOM 405 CA THR A 391 -3.745 3.336 2.009 1.00 15.00 C ATOM 406 C THR A 391 -3.227 4.343 0.969 1.00 15.00 C ATOM 407 O THR A 391 -3.828 5.406 0.788 1.00 15.00 O ATOM 408 CB THR A 391 -5.162 2.866 1.624 1.00 15.00 C ATOM 409 OG1 THR A 391 -5.218 2.570 0.232 1.00 15.00 O ATOM 410 CG2 THR A 391 -6.211 3.916 1.971 1.00 15.00 C ATOM 0 H THR A 391 -4.201 4.881 3.334 1.00 15.00 H new ATOM 0 HA THR A 391 -3.086 2.468 2.035 1.00 15.00 H new ATOM 0 HB THR A 391 -5.382 1.965 2.197 1.00 15.00 H new ATOM 0 HG1 THR A 391 -4.840 1.680 0.071 1.00 15.00 H new ATOM 0 HG21 THR A 391 -7.198 3.552 1.686 1.00 15.00 H new ATOM 0 HG22 THR A 391 -6.191 4.110 3.043 1.00 15.00 H new ATOM 0 HG23 THR A 391 -5.995 4.838 1.432 1.00 15.00 H new ATOM 418 N THR A 392 -2.104 4.058 0.306 1.00 15.00 N ATOM 419 CA THR A 392 -1.477 5.077 -0.522 1.00 15.00 C ATOM 420 C THR A 392 -0.709 4.502 -1.716 1.00 15.00 C ATOM 421 O THR A 392 -0.221 3.370 -1.664 1.00 15.00 O ATOM 422 CB THR A 392 -0.543 5.941 0.340 1.00 15.00 C ATOM 423 OG1 THR A 392 -0.098 7.082 -0.401 1.00 15.00 O ATOM 424 CG2 THR A 392 0.655 5.139 0.830 1.00 15.00 C ATOM 0 H THR A 392 -1.626 3.157 0.327 1.00 15.00 H new ATOM 0 HA THR A 392 -2.280 5.685 -0.937 1.00 15.00 H new ATOM 0 HB THR A 392 -1.107 6.277 1.211 1.00 15.00 H new ATOM 0 HG1 THR A 392 0.065 7.828 0.213 1.00 15.00 H new ATOM 0 HG21 THR A 392 1.297 5.778 1.437 1.00 15.00 H new ATOM 0 HG22 THR A 392 0.309 4.298 1.430 1.00 15.00 H new ATOM 0 HG23 THR A 392 1.218 4.767 -0.026 1.00 15.00 H new ATOM 432 N TRP A 393 -0.643 5.281 -2.805 1.00 15.00 N ATOM 433 CA TRP A 393 0.207 4.933 -3.947 1.00 15.00 C ATOM 434 C TRP A 393 1.673 5.198 -3.612 1.00 15.00 C ATOM 435 O TRP A 393 2.576 4.617 -4.219 1.00 15.00 O ATOM 436 CB TRP A 393 -0.109 5.774 -5.202 1.00 15.00 C ATOM 437 CG TRP A 393 -1.520 5.742 -5.727 1.00 15.00 C ATOM 438 CD1 TRP A 393 -2.198 6.804 -6.259 1.00 15.00 C ATOM 439 CD2 TRP A 393 -2.407 4.621 -5.818 1.00 15.00 C ATOM 440 NE1 TRP A 393 -3.448 6.416 -6.663 1.00 15.00 N ATOM 441 CE2 TRP A 393 -3.602 5.084 -6.403 1.00 15.00 C ATOM 442 CE3 TRP A 393 -2.318 3.279 -5.460 1.00 15.00 C ATOM 443 CZ2 TRP A 393 -4.686 4.250 -6.640 1.00 15.00 C ATOM 444 CZ3 TRP A 393 -3.400 2.452 -5.696 1.00 15.00 C ATOM 445 CH2 TRP A 393 -4.570 2.939 -6.281 1.00 15.00 C ATOM 0 H TRP A 393 -1.165 6.150 -2.917 1.00 15.00 H new ATOM 0 HA TRP A 393 0.014 3.880 -4.151 1.00 15.00 H new ATOM 0 HB2 TRP A 393 0.144 6.811 -4.983 1.00 15.00 H new ATOM 0 HB3 TRP A 393 0.554 5.446 -6.002 1.00 15.00 H new ATOM 0 HD1 TRP A 393 -1.804 7.806 -6.348 1.00 15.00 H new ATOM 0 HE1 TRP A 393 -4.149 7.023 -7.088 1.00 15.00 H new ATOM 0 HE3 TRP A 393 -1.419 2.890 -5.005 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 -5.591 4.626 -7.093 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 -3.339 1.409 -5.423 1.00 15.00 H new ATOM 0 HH2 TRP A 393 -5.398 2.266 -6.452 1.00 15.00 H new ATOM 456 N THR A 394 1.904 6.109 -2.674 1.00 15.00 N ATOM 457 CA THR A 394 3.240 6.620 -2.417 1.00 15.00 C ATOM 458 C THR A 394 4.121 5.565 -1.750 1.00 15.00 C ATOM 459 O THR A 394 3.629 4.682 -1.040 1.00 15.00 O ATOM 460 CB THR A 394 3.210 7.915 -1.570 1.00 15.00 C ATOM 461 OG1 THR A 394 4.433 8.643 -1.743 1.00 15.00 O ATOM 462 CG2 THR A 394 3.012 7.619 -0.089 1.00 15.00 C ATOM 0 H THR A 394 1.179 6.509 -2.078 1.00 15.00 H new ATOM 0 HA THR A 394 3.675 6.867 -3.386 1.00 15.00 H new ATOM 0 HB THR A 394 2.365 8.510 -1.916 1.00 15.00 H new ATOM 0 HG1 THR A 394 4.405 9.462 -1.205 1.00 15.00 H new ATOM 0 HG21 THR A 394 2.997 8.555 0.470 1.00 15.00 H new ATOM 0 HG22 THR A 394 2.067 7.095 0.054 1.00 15.00 H new ATOM 0 HG23 THR A 394 3.831 6.995 0.270 1.00 15.00 H new ATOM 470 N ARG A 395 5.418 5.649 -2.010 1.00 15.00 N ATOM 471 CA ARG A 395 6.369 4.704 -1.459 1.00 15.00 C ATOM 472 C ARG A 395 6.525 4.908 0.040 1.00 15.00 C ATOM 473 O ARG A 395 6.738 6.023 0.515 1.00 15.00 O ATOM 474 CB ARG A 395 7.721 4.843 -2.160 1.00 15.00 C ATOM 475 CG ARG A 395 7.714 4.293 -3.573 1.00 15.00 C ATOM 476 CD ARG A 395 7.468 2.794 -3.578 1.00 15.00 C ATOM 477 NE ARG A 395 8.585 2.050 -2.993 1.00 15.00 N ATOM 478 CZ ARG A 395 8.626 0.721 -2.909 1.00 15.00 C ATOM 479 NH1 ARG A 395 7.658 -0.011 -3.450 1.00 15.00 N1+ ATOM 480 NH2 ARG A 395 9.656 0.122 -2.315 1.00 15.00 N ATOM 0 H ARG A 395 5.834 6.367 -2.603 1.00 15.00 H new ATOM 0 HA ARG A 395 5.989 3.696 -1.628 1.00 15.00 H new ATOM 0 HB2 ARG A 395 8.004 5.895 -2.187 1.00 15.00 H new ATOM 0 HB3 ARG A 395 8.482 4.323 -1.577 1.00 15.00 H new ATOM 0 HG2 ARG A 395 6.941 4.793 -4.157 1.00 15.00 H new ATOM 0 HG3 ARG A 395 8.667 4.509 -4.055 1.00 15.00 H new ATOM 0 HD2 ARG A 395 6.556 2.575 -3.022 1.00 15.00 H new ATOM 0 HD3 ARG A 395 7.305 2.457 -4.602 1.00 15.00 H new ATOM 0 HE ARG A 395 9.377 2.579 -2.629 1.00 15.00 H new ATOM 0 HH11 ARG A 395 6.882 0.444 -3.930 1.00 15.00 H new ATOM 0 HH12 ARG A 395 7.691 -1.028 -3.385 1.00 15.00 H new ATOM 0 HH21 ARG A 395 10.414 0.681 -1.924 1.00 15.00 H new ATOM 0 HH22 ARG A 395 9.687 -0.896 -2.251 1.00 15.00 H new ATOM 494 N PRO A 396 6.440 3.812 0.799 1.00 15.00 N ATOM 495 CA PRO A 396 6.481 3.848 2.260 1.00 15.00 C ATOM 496 C PRO A 396 7.857 4.221 2.799 1.00 15.00 C ATOM 497 O PRO A 396 8.870 3.643 2.408 1.00 15.00 O ATOM 498 CB PRO A 396 6.144 2.403 2.661 1.00 15.00 C ATOM 499 CG PRO A 396 5.560 1.783 1.440 1.00 15.00 C ATOM 500 CD PRO A 396 6.250 2.449 0.293 1.00 15.00 C ATOM 0 HA PRO A 396 5.799 4.598 2.661 1.00 15.00 H new ATOM 0 HB2 PRO A 396 7.036 1.867 2.986 1.00 15.00 H new ATOM 0 HB3 PRO A 396 5.437 2.380 3.491 1.00 15.00 H new ATOM 0 HG2 PRO A 396 5.726 0.706 1.428 1.00 15.00 H new ATOM 0 HG3 PRO A 396 4.482 1.940 1.396 1.00 15.00 H new ATOM 0 HD2 PRO A 396 7.198 1.968 0.052 1.00 15.00 H new ATOM 0 HD3 PRO A 396 5.644 2.431 -0.613 1.00 15.00 H new ATOM 616 N PRO B 180 -8.469 5.883 -7.421 1.00 15.00 N ATOM 617 CA PRO B 180 -7.780 5.668 -6.157 1.00 15.00 C ATOM 618 C PRO B 180 -7.798 4.373 -5.401 1.00 15.00 C ATOM 619 O PRO B 180 -8.528 3.414 -5.664 1.00 15.00 O ATOM 620 CB PRO B 180 -8.440 6.732 -5.306 1.00 15.00 C ATOM 621 CG PRO B 180 -8.130 7.789 -6.208 1.00 15.00 C ATOM 622 CD PRO B 180 -8.863 7.307 -7.448 1.00 15.00 C ATOM 0 HA PRO B 180 -6.714 5.683 -6.386 1.00 15.00 H new ATOM 0 HB2 PRO B 180 -9.509 6.578 -5.156 1.00 15.00 H new ATOM 0 HB3 PRO B 180 -7.993 6.848 -4.319 1.00 15.00 H new ATOM 0 HG2 PRO B 180 -8.495 8.755 -5.858 1.00 15.00 H new ATOM 0 HG3 PRO B 180 -7.058 7.894 -6.373 1.00 15.00 H new ATOM 0 HD2 PRO B 180 -9.942 7.445 -7.378 1.00 15.00 H new ATOM 0 HD3 PRO B 180 -8.535 7.816 -8.354 1.00 15.00 H new ATOM 630 N PRO B 181 -6.913 4.438 -4.388 1.00 15.00 N ATOM 631 CA PRO B 181 -6.577 3.356 -3.469 1.00 15.00 C ATOM 632 C PRO B 181 -7.783 2.679 -2.824 1.00 15.00 C ATOM 633 O PRO B 181 -8.748 3.333 -2.410 1.00 15.00 O ATOM 634 CB PRO B 181 -5.743 4.064 -2.388 1.00 15.00 C ATOM 635 CG PRO B 181 -5.920 5.534 -2.625 1.00 15.00 C ATOM 636 CD PRO B 181 -6.170 5.686 -4.053 1.00 15.00 C ATOM 0 HA PRO B 181 -6.068 2.549 -3.996 1.00 15.00 H new ATOM 0 HB2 PRO B 181 -6.082 3.786 -1.390 1.00 15.00 H new ATOM 0 HB3 PRO B 181 -4.693 3.781 -2.458 1.00 15.00 H new ATOM 0 HG2 PRO B 181 -6.752 5.926 -2.040 1.00 15.00 H new ATOM 0 HG3 PRO B 181 -5.030 6.087 -2.324 1.00 15.00 H new ATOM 0 HD2 PRO B 181 -6.758 6.578 -4.269 1.00 15.00 H new ATOM 0 HD3 PRO B 181 -5.243 5.770 -4.620 1.00 15.00 H new ATOM 644 N PRO B 182 -7.711 1.348 -2.724 1.00 15.00 N ATOM 645 CA PRO B 182 -8.637 0.540 -1.927 1.00 15.00 C ATOM 646 C PRO B 182 -8.394 0.794 -0.438 1.00 15.00 C ATOM 647 O PRO B 182 -7.278 1.118 -0.051 1.00 15.00 O ATOM 648 CB PRO B 182 -8.271 -0.909 -2.306 1.00 15.00 C ATOM 649 CG PRO B 182 -7.441 -0.793 -3.544 1.00 15.00 C ATOM 650 CD PRO B 182 -6.722 0.511 -3.415 1.00 15.00 C ATOM 0 HA PRO B 182 -9.687 0.767 -2.114 1.00 15.00 H new ATOM 0 HB2 PRO B 182 -7.717 -1.397 -1.505 1.00 15.00 H new ATOM 0 HB3 PRO B 182 -9.165 -1.507 -2.486 1.00 15.00 H new ATOM 0 HG2 PRO B 182 -6.739 -1.623 -3.626 1.00 15.00 H new ATOM 0 HG3 PRO B 182 -8.064 -0.812 -4.438 1.00 15.00 H new ATOM 0 HD2 PRO B 182 -5.801 0.412 -2.841 1.00 15.00 H new ATOM 0 HD3 PRO B 182 -6.449 0.923 -4.387 1.00 15.00 H new ATOM 658 N GLY B 183 -9.436 0.672 0.380 1.00 15.00 N ATOM 659 CA GLY B 183 -9.350 1.024 1.799 1.00 15.00 C ATOM 660 C GLY B 183 -8.232 0.322 2.569 1.00 15.00 C ATOM 661 O GLY B 183 -7.529 -0.533 2.038 1.00 15.00 O ATOM 0 H GLY B 183 -10.352 0.332 0.086 1.00 15.00 H new ATOM 0 HA2 GLY B 183 -9.208 2.101 1.883 1.00 15.00 H new ATOM 0 HA3 GLY B 183 -10.302 0.789 2.275 1.00 15.00 H new ATOM 665 N TYR B 184 -8.121 0.649 3.854 1.00 15.00 N ATOM 666 CA TYR B 184 -7.021 0.168 4.683 1.00 15.00 C ATOM 667 C TYR B 184 -7.330 -1.178 5.370 1.00 15.00 C ATOM 668 O TYR B 184 -8.394 -1.351 5.965 1.00 15.00 O ATOM 669 CB TYR B 184 -6.640 1.243 5.722 1.00 15.00 C ATOM 670 CG TYR B 184 -6.111 0.675 7.019 1.00 15.00 C ATOM 671 CD1 TYR B 184 -4.817 0.188 7.134 1.00 15.00 C ATOM 672 CD2 TYR B 184 -6.938 0.603 8.135 1.00 15.00 C ATOM 673 CE1 TYR B 184 -4.369 -0.353 8.326 1.00 15.00 C ATOM 674 CE2 TYR B 184 -6.495 0.069 9.324 1.00 15.00 C ATOM 675 CZ TYR B 184 -5.211 -0.408 9.417 1.00 15.00 C ATOM 676 OH TYR B 184 -4.770 -0.955 10.602 1.00 15.00 O ATOM 0 H TYR B 184 -8.784 1.249 4.345 1.00 15.00 H new ATOM 0 HA TYR B 184 -6.173 -0.016 4.023 1.00 15.00 H new ATOM 0 HB2 TYR B 184 -5.887 1.902 5.290 1.00 15.00 H new ATOM 0 HB3 TYR B 184 -7.516 1.856 5.935 1.00 15.00 H new ATOM 0 HD1 TYR B 184 -4.152 0.232 6.284 1.00 15.00 H new ATOM 0 HD2 TYR B 184 -7.950 0.974 8.067 1.00 15.00 H new ATOM 0 HE1 TYR B 184 -3.361 -0.732 8.402 1.00 15.00 H new ATOM 0 HE2 TYR B 184 -7.154 0.026 10.179 1.00 15.00 H new ATOM 0 HH TYR B 184 -5.488 -0.914 11.268 1.00 15.00 H new ATOM 686 N LEU B 185 -6.354 -2.106 5.302 1.00 15.00 N ATOM 687 CA LEU B 185 -6.467 -3.452 5.852 1.00 15.00 C ATOM 688 C LEU B 185 -7.712 -4.179 5.431 1.00 15.00 C ATOM 689 O LEU B 185 -8.598 -4.491 6.229 1.00 15.00 O ATOM 690 CB LEU B 185 -6.260 -3.518 7.359 1.00 15.00 C ATOM 691 CG LEU B 185 -4.819 -3.747 7.774 1.00 15.00 C ATOM 692 CD1 LEU B 185 -4.700 -3.827 9.286 1.00 15.00 C ATOM 693 CD2 LEU B 185 -4.284 -5.020 7.136 1.00 15.00 C ATOM 0 H LEU B 185 -5.455 -1.928 4.854 1.00 15.00 H new ATOM 0 HA LEU B 185 -5.632 -3.989 5.401 1.00 15.00 H new ATOM 0 HB2 LEU B 185 -6.612 -2.588 7.805 1.00 15.00 H new ATOM 0 HB3 LEU B 185 -6.876 -4.320 7.765 1.00 15.00 H new ATOM 0 HG LEU B 185 -4.224 -2.902 7.428 1.00 15.00 H new ATOM 0 HD11 LEU B 185 -3.658 -3.992 9.561 1.00 15.00 H new ATOM 0 HD12 LEU B 185 -5.049 -2.894 9.728 1.00 15.00 H new ATOM 0 HD13 LEU B 185 -5.307 -4.653 9.656 1.00 15.00 H new ATOM 0 HD21 LEU B 185 -3.249 -5.173 7.442 1.00 15.00 H new ATOM 0 HD22 LEU B 185 -4.887 -5.869 7.458 1.00 15.00 H new ATOM 0 HD23 LEU B 185 -4.332 -4.931 6.051 1.00 15.00 H new ATOM 705 N SER B 186 -7.768 -4.388 4.149 1.00 15.00 N ATOM 706 CA SER B 186 -8.600 -5.386 3.564 1.00 15.00 C ATOM 707 C SER B 186 -7.889 -5.815 2.302 1.00 15.00 C ATOM 708 O SER B 186 -7.952 -5.138 1.278 1.00 15.00 O ATOM 709 CB SER B 186 -9.982 -4.811 3.278 1.00 15.00 C ATOM 710 OG SER B 186 -10.744 -5.662 2.440 1.00 15.00 O ATOM 0 H SER B 186 -7.223 -3.856 3.470 1.00 15.00 H new ATOM 0 HA SER B 186 -8.759 -6.240 4.223 1.00 15.00 H new ATOM 0 HB2 SER B 186 -10.513 -4.656 4.217 1.00 15.00 H new ATOM 0 HB3 SER B 186 -9.878 -3.834 2.806 1.00 15.00 H new ATOM 0 HG SER B 186 -11.624 -5.261 2.280 1.00 15.00 H new ATOM 716 N GLU B 187 -7.186 -6.929 2.384 1.00 15.00 N ATOM 717 CA GLU B 187 -6.268 -7.305 1.327 1.00 15.00 C ATOM 718 C GLU B 187 -6.639 -8.687 0.820 1.00 15.00 C ATOM 719 O GLU B 187 -6.336 -9.702 1.452 1.00 15.00 O ATOM 720 CB GLU B 187 -4.797 -7.233 1.822 1.00 15.00 C ATOM 721 CG GLU B 187 -4.463 -5.965 2.596 1.00 15.00 C ATOM 722 CD GLU B 187 -4.873 -4.697 1.880 1.00 15.00 C ATOM 723 OE1 GLU B 187 -4.561 -4.552 0.677 1.00 15.00 O1- ATOM 724 OE2 GLU B 187 -5.519 -3.843 2.522 1.00 15.00 O ATOM 0 H GLU B 187 -7.232 -7.584 3.165 1.00 15.00 H new ATOM 0 HA GLU B 187 -6.348 -6.602 0.498 1.00 15.00 H new ATOM 0 HB2 GLU B 187 -4.596 -8.096 2.456 1.00 15.00 H new ATOM 0 HB3 GLU B 187 -4.131 -7.307 0.962 1.00 15.00 H new ATOM 0 HG2 GLU B 187 -4.957 -6.001 3.567 1.00 15.00 H new ATOM 0 HG3 GLU B 187 -3.390 -5.936 2.785 1.00 15.00 H new