USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 253 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 30 ASN : amide:sc= -3.56! C(o=-3.6!,f=-8.6!) USER MOD Set 1.2: A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -160:sc= -0.201 (180deg=-0.605) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -178:sc= -0.436 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 21:sc= -3.37! USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.0838 X(o=-0.084,f=-0.092) USER MOD Single : A 34 ASN : amide:sc= 0.0295 X(o=0.03,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.226 USER MOD Single : A 37 GLN : amide:sc= -4.93! C(o=-4.9!,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 72 N GLY A 14 -10.566 -1.882 -0.429 1.00 15.00 N ATOM 73 CA GLY A 14 -10.324 -0.748 0.435 1.00 15.00 C ATOM 74 C GLY A 14 -8.991 -0.104 0.139 1.00 15.00 C ATOM 75 O GLY A 14 -8.519 0.738 0.890 1.00 15.00 O ATOM 0 HA2 GLY A 14 -11.120 -0.015 0.307 1.00 15.00 H new ATOM 0 HA3 GLY A 14 -10.351 -1.070 1.476 1.00 15.00 H new ATOM 79 N TRP A 15 -8.436 -0.439 -1.011 1.00 15.00 N ATOM 80 CA TRP A 15 -7.063 -0.096 -1.351 1.00 15.00 C ATOM 81 C TRP A 15 -6.879 1.262 -2.053 1.00 15.00 C ATOM 82 O TRP A 15 -7.747 1.746 -2.781 1.00 15.00 O ATOM 83 CB TRP A 15 -6.474 -1.187 -2.243 1.00 15.00 C ATOM 84 CG TRP A 15 -5.755 -2.323 -1.551 1.00 15.00 C ATOM 85 CD1 TRP A 15 -5.511 -3.562 -2.067 1.00 15.00 C ATOM 86 CD2 TRP A 15 -5.106 -2.295 -0.270 1.00 15.00 C ATOM 87 NE1 TRP A 15 -4.690 -4.277 -1.225 1.00 15.00 N ATOM 88 CE2 TRP A 15 -4.440 -3.528 -0.108 1.00 15.00 C ATOM 89 CE3 TRP A 15 -5.008 -1.348 0.746 1.00 15.00 C ATOM 90 CZ2 TRP A 15 -3.675 -3.817 1.026 1.00 15.00 C ATOM 91 CZ3 TRP A 15 -4.273 -1.647 1.868 1.00 15.00 C ATOM 92 CH2 TRP A 15 -3.607 -2.863 1.994 1.00 15.00 C ATOM 0 H TRP A 15 -8.925 -0.959 -1.740 1.00 15.00 H new ATOM 0 HA TRP A 15 -6.544 -0.015 -0.396 1.00 15.00 H new ATOM 0 HB2 TRP A 15 -7.282 -1.610 -2.839 1.00 15.00 H new ATOM 0 HB3 TRP A 15 -5.777 -0.718 -2.938 1.00 15.00 H new ATOM 0 HD1 TRP A 15 -5.906 -3.929 -3.003 1.00 15.00 H new ATOM 0 HE1 TRP A 15 -4.327 -5.213 -1.405 1.00 15.00 H new ATOM 0 HE3 TRP A 15 -5.502 -0.392 0.654 1.00 15.00 H new ATOM 0 HZ2 TRP A 15 -3.159 -4.760 1.130 1.00 15.00 H new ATOM 0 HZ3 TRP A 15 -4.211 -0.924 2.668 1.00 15.00 H new ATOM 0 HH2 TRP A 15 -3.022 -3.054 2.882 1.00 15.00 H new ATOM 103 N GLU A 16 -5.707 1.848 -1.789 1.00 15.00 N ATOM 104 CA GLU A 16 -5.186 3.045 -2.458 1.00 15.00 C ATOM 105 C GLU A 16 -3.722 2.761 -2.823 1.00 15.00 C ATOM 106 O GLU A 16 -2.867 2.659 -1.940 1.00 15.00 O ATOM 107 CB GLU A 16 -5.299 4.278 -1.530 1.00 15.00 C ATOM 108 CG GLU A 16 -4.650 5.553 -2.048 1.00 15.00 C ATOM 109 CD GLU A 16 -5.118 5.909 -3.444 1.00 15.00 C ATOM 110 OE1 GLU A 16 -6.178 6.558 -3.565 1.00 15.00 O1- ATOM 111 OE2 GLU A 16 -4.452 5.519 -4.425 1.00 15.00 O ATOM 0 H GLU A 16 -5.071 1.489 -1.077 1.00 15.00 H new ATOM 0 HA GLU A 16 -5.762 3.269 -3.356 1.00 15.00 H new ATOM 0 HB2 GLU A 16 -6.355 4.477 -1.348 1.00 15.00 H new ATOM 0 HB3 GLU A 16 -4.851 4.029 -0.568 1.00 15.00 H new ATOM 0 HG2 GLU A 16 -4.878 6.375 -1.370 1.00 15.00 H new ATOM 0 HG3 GLU A 16 -3.567 5.432 -2.050 1.00 15.00 H new ATOM 118 N LYS A 17 -3.453 2.588 -4.112 1.00 15.00 N ATOM 119 CA LYS A 17 -2.189 2.013 -4.574 1.00 15.00 C ATOM 120 C LYS A 17 -1.141 3.069 -4.907 1.00 15.00 C ATOM 121 O LYS A 17 -1.277 3.794 -5.895 1.00 15.00 O ATOM 122 CB LYS A 17 -2.448 1.153 -5.818 1.00 15.00 C ATOM 123 CG LYS A 17 -1.194 0.572 -6.458 1.00 15.00 C ATOM 124 CD LYS A 17 -0.581 -0.529 -5.612 1.00 15.00 C ATOM 125 CE LYS A 17 0.585 -1.195 -6.329 1.00 15.00 C ATOM 126 NZ LYS A 17 0.197 -1.687 -7.678 1.00 15.00 N1+ ATOM 0 H LYS A 17 -4.096 2.839 -4.863 1.00 15.00 H new ATOM 0 HA LYS A 17 -1.793 1.411 -3.756 1.00 15.00 H new ATOM 0 HB2 LYS A 17 -3.114 0.334 -5.546 1.00 15.00 H new ATOM 0 HB3 LYS A 17 -2.972 1.757 -6.559 1.00 15.00 H new ATOM 0 HG2 LYS A 17 -1.440 0.177 -7.444 1.00 15.00 H new ATOM 0 HG3 LYS A 17 -0.462 1.366 -6.606 1.00 15.00 H new ATOM 0 HD2 LYS A 17 -0.238 -0.114 -4.664 1.00 15.00 H new ATOM 0 HD3 LYS A 17 -1.340 -1.275 -5.377 1.00 15.00 H new ATOM 0 HE2 LYS A 17 1.407 -0.485 -6.424 1.00 15.00 H new ATOM 0 HE3 LYS A 17 0.952 -2.029 -5.730 1.00 15.00 H new ATOM 0 HZ1 LYS A 17 0.876 -2.409 -7.993 1.00 15.00 H new ATOM 0 HZ2 LYS A 17 -0.756 -2.102 -7.635 1.00 15.00 H new ATOM 0 HZ3 LYS A 17 0.199 -0.894 -8.351 1.00 15.00 H new ATOM 140 N ARG A 18 -0.104 3.176 -4.079 1.00 15.00 N ATOM 141 CA ARG A 18 1.070 3.957 -4.447 1.00 15.00 C ATOM 142 C ARG A 18 2.267 3.315 -3.742 1.00 15.00 C ATOM 143 O ARG A 18 2.222 3.045 -2.549 1.00 15.00 O ATOM 144 CB ARG A 18 0.791 5.436 -4.087 1.00 15.00 C ATOM 145 CG ARG A 18 1.886 6.497 -4.312 1.00 15.00 C ATOM 146 CD ARG A 18 2.791 6.220 -5.493 1.00 15.00 C ATOM 147 NE ARG A 18 3.603 7.395 -5.801 1.00 15.00 N ATOM 148 CZ ARG A 18 4.691 7.386 -6.567 1.00 15.00 C ATOM 149 NH1 ARG A 18 5.115 6.254 -7.119 1.00 15.00 N1+ ATOM 150 NH2 ARG A 18 5.349 8.519 -6.786 1.00 15.00 N ATOM 0 H ARG A 18 -0.054 2.737 -3.160 1.00 15.00 H new ATOM 0 HA ARG A 18 1.300 3.957 -5.513 1.00 15.00 H new ATOM 0 HB2 ARG A 18 -0.086 5.749 -4.653 1.00 15.00 H new ATOM 0 HB3 ARG A 18 0.518 5.468 -3.032 1.00 15.00 H new ATOM 0 HG2 ARG A 18 1.411 7.468 -4.454 1.00 15.00 H new ATOM 0 HG3 ARG A 18 2.496 6.569 -3.411 1.00 15.00 H new ATOM 0 HD2 ARG A 18 3.438 5.371 -5.272 1.00 15.00 H new ATOM 0 HD3 ARG A 18 2.192 5.946 -6.362 1.00 15.00 H new ATOM 0 HE ARG A 18 3.315 8.287 -5.400 1.00 15.00 H new ATOM 0 HH11 ARG A 18 4.606 5.385 -6.957 1.00 15.00 H new ATOM 0 HH12 ARG A 18 5.950 6.254 -7.705 1.00 15.00 H new ATOM 0 HH21 ARG A 18 5.020 9.389 -6.368 1.00 15.00 H new ATOM 0 HH22 ARG A 18 6.184 8.519 -7.372 1.00 15.00 H new ATOM 164 N MET A 19 3.322 3.016 -4.467 1.00 15.00 N ATOM 165 CA MET A 19 4.375 2.198 -3.889 1.00 15.00 C ATOM 166 C MET A 19 5.405 3.077 -3.210 1.00 15.00 C ATOM 167 O MET A 19 5.652 4.203 -3.639 1.00 15.00 O ATOM 168 CB MET A 19 5.048 1.328 -4.958 1.00 15.00 C ATOM 169 CG MET A 19 5.898 2.100 -5.955 1.00 15.00 C ATOM 170 SD MET A 19 6.700 1.021 -7.156 1.00 15.00 S ATOM 171 CE MET A 19 7.662 2.209 -8.090 1.00 15.00 C ATOM 0 H MET A 19 3.476 3.314 -5.430 1.00 15.00 H new ATOM 0 HA MET A 19 3.923 1.538 -3.148 1.00 15.00 H new ATOM 0 HB2 MET A 19 5.675 0.586 -4.463 1.00 15.00 H new ATOM 0 HB3 MET A 19 4.277 0.782 -5.502 1.00 15.00 H new ATOM 0 HG2 MET A 19 5.272 2.821 -6.480 1.00 15.00 H new ATOM 0 HG3 MET A 19 6.657 2.668 -5.418 1.00 15.00 H new ATOM 0 HE1 MET A 19 8.217 1.693 -8.874 1.00 15.00 H new ATOM 0 HE2 MET A 19 6.995 2.943 -8.541 1.00 15.00 H new ATOM 0 HE3 MET A 19 8.361 2.715 -7.424 1.00 15.00 H new ATOM 181 N SER A 20 6.020 2.548 -2.165 1.00 15.00 N ATOM 182 CA SER A 20 7.023 3.295 -1.449 1.00 15.00 C ATOM 183 C SER A 20 8.363 3.014 -2.083 1.00 15.00 C ATOM 184 O SER A 20 8.874 1.883 -2.069 1.00 15.00 O ATOM 185 CB SER A 20 7.046 2.937 0.032 1.00 15.00 C ATOM 186 OG SER A 20 7.957 3.767 0.731 1.00 15.00 O ATOM 0 H SER A 20 5.840 1.612 -1.801 1.00 15.00 H new ATOM 0 HA SER A 20 6.789 4.358 -1.511 1.00 15.00 H new ATOM 0 HB2 SER A 20 6.047 3.048 0.454 1.00 15.00 H new ATOM 0 HB3 SER A 20 7.330 1.892 0.155 1.00 15.00 H new ATOM 0 HG SER A 20 7.981 3.505 1.675 1.00 15.00 H new ATOM 192 N ARG A 21 8.910 4.073 -2.633 1.00 15.00 N ATOM 193 CA ARG A 21 10.031 4.007 -3.543 1.00 15.00 C ATOM 194 C ARG A 21 11.350 3.873 -2.790 1.00 15.00 C ATOM 195 O ARG A 21 12.419 3.787 -3.393 1.00 15.00 O ATOM 196 CB ARG A 21 10.004 5.275 -4.390 1.00 15.00 C ATOM 197 CG ARG A 21 8.632 5.558 -4.991 1.00 15.00 C ATOM 198 CD ARG A 21 8.544 6.971 -5.535 1.00 15.00 C ATOM 199 NE ARG A 21 8.322 7.929 -4.459 1.00 15.00 N ATOM 200 CZ ARG A 21 8.563 9.229 -4.536 1.00 15.00 C ATOM 201 NH1 ARG A 21 9.061 9.761 -5.645 1.00 15.00 N1+ ATOM 202 NH2 ARG A 21 8.308 9.991 -3.483 1.00 15.00 N ATOM 0 H ARG A 21 8.582 5.023 -2.457 1.00 15.00 H new ATOM 0 HA ARG A 21 9.951 3.125 -4.178 1.00 15.00 H new ATOM 0 HB2 ARG A 21 10.308 6.123 -3.776 1.00 15.00 H new ATOM 0 HB3 ARG A 21 10.735 5.185 -5.193 1.00 15.00 H new ATOM 0 HG2 ARG A 21 8.430 4.846 -5.791 1.00 15.00 H new ATOM 0 HG3 ARG A 21 7.864 5.411 -4.232 1.00 15.00 H new ATOM 0 HD2 ARG A 21 9.464 7.219 -6.064 1.00 15.00 H new ATOM 0 HD3 ARG A 21 7.732 7.036 -6.259 1.00 15.00 H new ATOM 0 HE ARG A 21 7.952 7.570 -3.579 1.00 15.00 H new ATOM 0 HH11 ARG A 21 9.262 9.167 -6.450 1.00 15.00 H new ATOM 0 HH12 ARG A 21 9.243 10.764 -5.693 1.00 15.00 H new ATOM 0 HH21 ARG A 21 7.932 9.575 -2.631 1.00 15.00 H new ATOM 0 HH22 ARG A 21 8.487 10.994 -3.524 1.00 15.00 H new ATOM 216 N SER A 22 11.261 3.848 -1.470 1.00 15.00 N ATOM 217 CA SER A 22 12.435 3.723 -0.624 1.00 15.00 C ATOM 218 C SER A 22 12.854 2.256 -0.491 1.00 15.00 C ATOM 219 O SER A 22 13.867 1.832 -1.050 1.00 15.00 O ATOM 220 CB SER A 22 12.143 4.318 0.760 1.00 15.00 C ATOM 221 OG SER A 22 13.295 4.300 1.589 1.00 15.00 O ATOM 0 H SER A 22 10.381 3.913 -0.959 1.00 15.00 H new ATOM 0 HA SER A 22 13.257 4.272 -1.084 1.00 15.00 H new ATOM 0 HB2 SER A 22 11.790 5.343 0.649 1.00 15.00 H new ATOM 0 HB3 SER A 22 11.341 3.754 1.237 1.00 15.00 H new ATOM 0 HG SER A 22 13.076 4.687 2.462 1.00 15.00 H new ATOM 227 N SER A 23 12.045 1.482 0.219 1.00 15.00 N ATOM 228 CA SER A 23 12.391 0.107 0.554 1.00 15.00 C ATOM 229 C SER A 23 11.902 -0.886 -0.504 1.00 15.00 C ATOM 230 O SER A 23 12.255 -2.067 -0.464 1.00 15.00 O ATOM 231 CB SER A 23 11.797 -0.240 1.919 1.00 15.00 C ATOM 232 OG SER A 23 12.178 0.718 2.888 1.00 15.00 O ATOM 0 H SER A 23 11.139 1.785 0.576 1.00 15.00 H new ATOM 0 HA SER A 23 13.478 0.029 0.586 1.00 15.00 H new ATOM 0 HB2 SER A 23 10.710 -0.281 1.848 1.00 15.00 H new ATOM 0 HB3 SER A 23 12.134 -1.230 2.227 1.00 15.00 H new ATOM 0 HG SER A 23 11.787 0.480 3.755 1.00 15.00 H new ATOM 238 N GLY A 24 11.086 -0.418 -1.441 1.00 15.00 N ATOM 239 CA GLY A 24 10.506 -1.317 -2.421 1.00 15.00 C ATOM 240 C GLY A 24 9.358 -2.103 -1.824 1.00 15.00 C ATOM 241 O GLY A 24 9.223 -3.310 -2.040 1.00 15.00 O ATOM 0 H GLY A 24 10.817 0.561 -1.540 1.00 15.00 H new ATOM 0 HA2 GLY A 24 10.153 -0.746 -3.279 1.00 15.00 H new ATOM 0 HA3 GLY A 24 11.270 -2.003 -2.787 1.00 15.00 H new ATOM 245 N ARG A 25 8.526 -1.393 -1.084 1.00 15.00 N ATOM 246 CA ARG A 25 7.446 -1.990 -0.311 1.00 15.00 C ATOM 247 C ARG A 25 6.225 -1.095 -0.501 1.00 15.00 C ATOM 248 O ARG A 25 6.405 0.110 -0.652 1.00 15.00 O ATOM 249 CB ARG A 25 7.909 -2.088 1.153 1.00 15.00 C ATOM 250 CG ARG A 25 7.883 -0.815 1.933 1.00 15.00 C ATOM 251 CD ARG A 25 8.592 -1.022 3.266 1.00 15.00 C ATOM 252 NE ARG A 25 7.898 -1.987 4.121 1.00 15.00 N ATOM 253 CZ ARG A 25 8.455 -2.587 5.176 1.00 15.00 C ATOM 254 NH1 ARG A 25 9.741 -2.389 5.459 1.00 15.00 N1+ ATOM 255 NH2 ARG A 25 7.734 -3.405 5.936 1.00 15.00 N ATOM 0 H ARG A 25 8.579 -0.378 -1.000 1.00 15.00 H new ATOM 0 HA ARG A 25 7.184 -2.998 -0.631 1.00 15.00 H new ATOM 0 HB2 ARG A 25 7.281 -2.817 1.664 1.00 15.00 H new ATOM 0 HB3 ARG A 25 8.926 -2.479 1.166 1.00 15.00 H new ATOM 0 HG2 ARG A 25 8.371 -0.020 1.369 1.00 15.00 H new ATOM 0 HG3 ARG A 25 6.853 -0.500 2.102 1.00 15.00 H new ATOM 0 HD2 ARG A 25 9.610 -1.367 3.084 1.00 15.00 H new ATOM 0 HD3 ARG A 25 8.668 -0.067 3.787 1.00 15.00 H new ATOM 0 HE ARG A 25 6.929 -2.215 3.897 1.00 15.00 H new ATOM 0 HH11 ARG A 25 10.305 -1.777 4.869 1.00 15.00 H new ATOM 0 HH12 ARG A 25 10.162 -2.849 6.266 1.00 15.00 H new ATOM 0 HH21 ARG A 25 6.753 -3.576 5.714 1.00 15.00 H new ATOM 0 HH22 ARG A 25 8.162 -3.862 6.741 1.00 15.00 H new ATOM 269 N VAL A 26 4.988 -1.610 -0.522 1.00 15.00 N ATOM 270 CA VAL A 26 3.938 -0.778 -1.041 1.00 15.00 C ATOM 271 C VAL A 26 3.263 -0.085 0.102 1.00 15.00 C ATOM 272 O VAL A 26 2.938 -0.709 1.109 1.00 15.00 O ATOM 273 CB VAL A 26 2.906 -1.589 -1.859 1.00 15.00 C ATOM 274 CG1 VAL A 26 1.829 -0.678 -2.432 1.00 15.00 C ATOM 275 CG2 VAL A 26 3.594 -2.362 -2.973 1.00 15.00 C ATOM 0 H VAL A 26 4.717 -2.540 -0.204 1.00 15.00 H new ATOM 0 HA VAL A 26 4.379 -0.048 -1.720 1.00 15.00 H new ATOM 0 HB VAL A 26 2.428 -2.301 -1.186 1.00 15.00 H new ATOM 0 HG11 VAL A 26 1.116 -1.272 -3.003 1.00 15.00 H new ATOM 0 HG12 VAL A 26 1.310 -0.171 -1.618 1.00 15.00 H new ATOM 0 HG13 VAL A 26 2.289 0.063 -3.086 1.00 15.00 H new ATOM 0 HG21 VAL A 26 2.851 -2.926 -3.537 1.00 15.00 H new ATOM 0 HG22 VAL A 26 4.103 -1.665 -3.639 1.00 15.00 H new ATOM 0 HG23 VAL A 26 4.322 -3.050 -2.543 1.00 15.00 H new ATOM 285 N TYR A 27 3.065 1.205 0.001 1.00 15.00 N ATOM 286 CA TYR A 27 2.221 1.789 0.973 1.00 15.00 C ATOM 287 C TYR A 27 0.851 1.672 0.320 1.00 15.00 C ATOM 288 O TYR A 27 0.557 2.247 -0.761 1.00 15.00 O ATOM 289 CB TYR A 27 2.623 3.226 1.371 1.00 15.00 C ATOM 290 CG TYR A 27 1.974 4.280 0.552 1.00 15.00 C ATOM 291 CD1 TYR A 27 0.637 4.579 0.774 1.00 15.00 C ATOM 292 CD2 TYR A 27 2.637 4.899 -0.489 1.00 15.00 C ATOM 293 CE1 TYR A 27 -0.022 5.471 -0.010 1.00 15.00 C ATOM 294 CE2 TYR A 27 1.984 5.782 -1.290 1.00 15.00 C ATOM 295 CZ TYR A 27 0.642 6.063 -1.043 1.00 15.00 C ATOM 296 OH TYR A 27 -0.041 6.927 -1.841 1.00 15.00 O ATOM 0 H TYR A 27 3.457 1.828 -0.705 1.00 15.00 H new ATOM 0 HA TYR A 27 2.269 1.292 1.942 1.00 15.00 H new ATOM 0 HB2 TYR A 27 2.370 3.387 2.419 1.00 15.00 H new ATOM 0 HB3 TYR A 27 3.705 3.327 1.285 1.00 15.00 H new ATOM 0 HD1 TYR A 27 0.112 4.094 1.584 1.00 15.00 H new ATOM 0 HD2 TYR A 27 3.679 4.681 -0.668 1.00 15.00 H new ATOM 0 HE1 TYR A 27 -1.058 5.708 0.182 1.00 15.00 H new ATOM 0 HE2 TYR A 27 2.500 6.261 -2.109 1.00 15.00 H new ATOM 0 HH TYR A 27 -0.832 7.255 -1.366 1.00 15.00 H new ATOM 306 N TYR A 28 0.068 0.793 0.858 1.00 15.00 N ATOM 307 CA TYR A 28 -1.158 0.483 0.221 1.00 15.00 C ATOM 308 C TYR A 28 -2.225 0.876 1.221 1.00 15.00 C ATOM 309 O TYR A 28 -2.290 0.348 2.328 1.00 15.00 O ATOM 310 CB TYR A 28 -1.159 -1.003 -0.154 1.00 15.00 C ATOM 311 CG TYR A 28 -1.944 -1.324 -1.404 1.00 15.00 C ATOM 312 CD1 TYR A 28 -2.817 -0.411 -1.967 1.00 15.00 C ATOM 313 CD2 TYR A 28 -1.742 -2.528 -2.066 1.00 15.00 C ATOM 314 CE1 TYR A 28 -3.483 -0.694 -3.145 1.00 15.00 C ATOM 315 CE2 TYR A 28 -2.394 -2.816 -3.248 1.00 15.00 C ATOM 316 CZ TYR A 28 -3.265 -1.896 -3.784 1.00 15.00 C ATOM 317 OH TYR A 28 -3.927 -2.181 -4.956 1.00 15.00 O ATOM 0 H TYR A 28 0.256 0.287 1.724 1.00 15.00 H new ATOM 0 HA TYR A 28 -1.332 1.014 -0.715 1.00 15.00 H new ATOM 0 HB2 TYR A 28 -0.129 -1.333 -0.290 1.00 15.00 H new ATOM 0 HB3 TYR A 28 -1.570 -1.576 0.677 1.00 15.00 H new ATOM 0 HD1 TYR A 28 -2.981 0.538 -1.479 1.00 15.00 H new ATOM 0 HD2 TYR A 28 -1.061 -3.254 -1.647 1.00 15.00 H new ATOM 0 HE1 TYR A 28 -4.172 0.025 -3.564 1.00 15.00 H new ATOM 0 HE2 TYR A 28 -2.222 -3.757 -3.749 1.00 15.00 H new ATOM 0 HH TYR A 28 -3.659 -3.068 -5.276 1.00 15.00 H new ATOM 327 N PHE A 29 -2.975 1.882 0.866 1.00 15.00 N ATOM 328 CA PHE A 29 -3.751 2.634 1.827 1.00 15.00 C ATOM 329 C PHE A 29 -5.197 2.168 1.878 1.00 15.00 C ATOM 330 O PHE A 29 -5.960 2.356 0.940 1.00 15.00 O ATOM 331 CB PHE A 29 -3.613 4.098 1.434 1.00 15.00 C ATOM 332 CG PHE A 29 -4.455 5.110 2.149 1.00 15.00 C ATOM 333 CD1 PHE A 29 -4.023 5.696 3.324 1.00 15.00 C ATOM 334 CD2 PHE A 29 -5.620 5.568 1.567 1.00 15.00 C ATOM 335 CE1 PHE A 29 -4.758 6.709 3.909 1.00 15.00 C ATOM 336 CE2 PHE A 29 -6.340 6.588 2.128 1.00 15.00 C ATOM 337 CZ PHE A 29 -5.914 7.157 3.298 1.00 15.00 C ATOM 0 H PHE A 29 -3.069 2.208 -0.096 1.00 15.00 H new ATOM 0 HA PHE A 29 -3.382 2.480 2.841 1.00 15.00 H new ATOM 0 HB2 PHE A 29 -2.569 4.381 1.568 1.00 15.00 H new ATOM 0 HB3 PHE A 29 -3.831 4.178 0.369 1.00 15.00 H new ATOM 0 HD1 PHE A 29 -3.107 5.360 3.787 1.00 15.00 H new ATOM 0 HD2 PHE A 29 -5.970 5.113 0.652 1.00 15.00 H new ATOM 0 HE1 PHE A 29 -4.431 7.149 4.840 1.00 15.00 H new ATOM 0 HE2 PHE A 29 -7.241 6.943 1.649 1.00 15.00 H new ATOM 0 HZ PHE A 29 -6.483 7.959 3.745 1.00 15.00 H new ATOM 347 N ASN A 30 -5.570 1.563 2.988 1.00 15.00 N ATOM 348 CA ASN A 30 -6.924 1.081 3.159 1.00 15.00 C ATOM 349 C ASN A 30 -7.763 2.185 3.773 1.00 15.00 C ATOM 350 O ASN A 30 -7.633 2.511 4.952 1.00 15.00 O ATOM 351 CB ASN A 30 -6.963 -0.194 4.011 1.00 15.00 C ATOM 352 CG ASN A 30 -8.367 -0.590 4.418 1.00 15.00 C ATOM 353 OD1 ASN A 30 -9.331 -0.325 3.707 1.00 15.00 O ATOM 354 ND2 ASN A 30 -8.495 -1.222 5.578 1.00 15.00 N ATOM 0 H ASN A 30 -4.955 1.394 3.784 1.00 15.00 H new ATOM 0 HA ASN A 30 -7.336 0.815 2.186 1.00 15.00 H new ATOM 0 HB2 ASN A 30 -6.508 -1.012 3.452 1.00 15.00 H new ATOM 0 HB3 ASN A 30 -6.359 -0.045 4.906 1.00 15.00 H new ATOM 0 HD21 ASN A 30 -9.419 -1.505 5.906 1.00 15.00 H new ATOM 0 HD22 ASN A 30 -7.670 -1.425 6.142 1.00 15.00 H new ATOM 361 N HIS A 31 -8.607 2.779 2.941 1.00 15.00 N ATOM 362 CA HIS A 31 -9.343 3.978 3.318 1.00 15.00 C ATOM 363 C HIS A 31 -10.635 3.646 4.054 1.00 15.00 C ATOM 364 O HIS A 31 -11.394 4.542 4.407 1.00 15.00 O ATOM 365 CB HIS A 31 -9.631 4.855 2.084 1.00 15.00 C ATOM 366 CG HIS A 31 -10.392 4.173 0.979 1.00 15.00 C ATOM 367 ND1 HIS A 31 -9.786 3.682 -0.160 1.00 15.00 N ATOM 368 CD2 HIS A 31 -11.717 3.922 0.833 1.00 15.00 C ATOM 369 CE1 HIS A 31 -10.704 3.162 -0.955 1.00 15.00 C ATOM 370 NE2 HIS A 31 -11.882 3.293 -0.375 1.00 15.00 N ATOM 0 H HIS A 31 -8.800 2.448 1.996 1.00 15.00 H new ATOM 0 HA HIS A 31 -8.712 4.541 4.005 1.00 15.00 H new ATOM 0 HB2 HIS A 31 -10.194 5.732 2.404 1.00 15.00 H new ATOM 0 HB3 HIS A 31 -8.683 5.214 1.683 1.00 15.00 H new ATOM 0 HD2 HIS A 31 -12.497 4.171 1.537 1.00 15.00 H new ATOM 0 HE1 HIS A 31 -10.521 2.707 -1.917 1.00 15.00 H new ATOM 0 HE2 HIS A 31 -12.771 2.978 -0.762 1.00 15.00 H new ATOM 379 N ILE A 32 -10.877 2.364 4.296 1.00 15.00 N ATOM 380 CA ILE A 32 -12.051 1.962 5.059 1.00 15.00 C ATOM 381 C ILE A 32 -11.797 2.195 6.541 1.00 15.00 C ATOM 382 O ILE A 32 -12.564 2.877 7.218 1.00 15.00 O ATOM 383 CB ILE A 32 -12.428 0.482 4.838 1.00 15.00 C ATOM 384 CG1 ILE A 32 -12.195 0.090 3.374 1.00 15.00 C ATOM 385 CG2 ILE A 32 -13.881 0.247 5.243 1.00 15.00 C ATOM 386 CD1 ILE A 32 -12.888 -1.192 2.954 1.00 15.00 C ATOM 0 H ILE A 32 -10.286 1.595 3.980 1.00 15.00 H new ATOM 0 HA ILE A 32 -12.885 2.569 4.707 1.00 15.00 H new ATOM 0 HB ILE A 32 -11.793 -0.146 5.463 1.00 15.00 H new ATOM 0 HG12 ILE A 32 -12.539 0.902 2.733 1.00 15.00 H new ATOM 0 HG13 ILE A 32 -11.124 -0.018 3.205 1.00 15.00 H new ATOM 0 HG21 ILE A 32 -14.138 -0.800 5.084 1.00 15.00 H new ATOM 0 HG22 ILE A 32 -14.010 0.496 6.296 1.00 15.00 H new ATOM 0 HG23 ILE A 32 -14.534 0.877 4.639 1.00 15.00 H new ATOM 0 HD11 ILE A 32 -12.671 -1.396 1.905 1.00 15.00 H new ATOM 0 HD12 ILE A 32 -12.527 -2.018 3.567 1.00 15.00 H new ATOM 0 HD13 ILE A 32 -13.964 -1.084 3.088 1.00 15.00 H new ATOM 398 N THR A 33 -10.703 1.630 7.031 1.00 15.00 N ATOM 399 CA THR A 33 -10.283 1.833 8.408 1.00 15.00 C ATOM 400 C THR A 33 -9.362 3.051 8.506 1.00 15.00 C ATOM 401 O THR A 33 -9.040 3.520 9.595 1.00 15.00 O ATOM 402 CB THR A 33 -9.541 0.589 8.929 1.00 15.00 C ATOM 403 OG1 THR A 33 -10.140 -0.593 8.380 1.00 15.00 O ATOM 404 CG2 THR A 33 -9.585 0.520 10.449 1.00 15.00 C ATOM 0 H THR A 33 -10.087 1.023 6.490 1.00 15.00 H new ATOM 0 HA THR A 33 -11.171 2.003 9.017 1.00 15.00 H new ATOM 0 HB THR A 33 -8.499 0.658 8.618 1.00 15.00 H new ATOM 0 HG1 THR A 33 -9.666 -1.384 8.711 1.00 15.00 H new ATOM 0 HG21 THR A 33 -9.053 -0.369 10.788 1.00 15.00 H new ATOM 0 HG22 THR A 33 -9.112 1.408 10.867 1.00 15.00 H new ATOM 0 HG23 THR A 33 -10.622 0.471 10.781 1.00 15.00 H new ATOM 412 N ASN A 34 -8.958 3.548 7.336 1.00 15.00 N ATOM 413 CA ASN A 34 -7.995 4.643 7.216 1.00 15.00 C ATOM 414 C ASN A 34 -6.648 4.235 7.805 1.00 15.00 C ATOM 415 O ASN A 34 -6.342 4.516 8.965 1.00 15.00 O ATOM 416 CB ASN A 34 -8.506 5.934 7.874 1.00 15.00 C ATOM 417 CG ASN A 34 -7.620 7.135 7.581 1.00 15.00 C ATOM 418 OD1 ASN A 34 -7.814 7.833 6.585 1.00 15.00 O ATOM 419 ND2 ASN A 34 -6.649 7.389 8.445 1.00 15.00 N ATOM 0 H ASN A 34 -9.293 3.199 6.438 1.00 15.00 H new ATOM 0 HA ASN A 34 -7.867 4.851 6.154 1.00 15.00 H new ATOM 0 HB2 ASN A 34 -9.517 6.140 7.523 1.00 15.00 H new ATOM 0 HB3 ASN A 34 -8.567 5.787 8.952 1.00 15.00 H new ATOM 0 HD21 ASN A 34 -6.030 8.186 8.297 1.00 15.00 H new ATOM 0 HD22 ASN A 34 -6.520 6.787 9.259 1.00 15.00 H new ATOM 426 N ALA A 35 -5.875 3.511 7.008 1.00 15.00 N ATOM 427 CA ALA A 35 -4.564 3.040 7.424 1.00 15.00 C ATOM 428 C ALA A 35 -3.639 2.918 6.221 1.00 15.00 C ATOM 429 O ALA A 35 -4.058 2.487 5.149 1.00 15.00 O ATOM 430 CB ALA A 35 -4.686 1.698 8.131 1.00 15.00 C ATOM 0 H ALA A 35 -6.137 3.236 6.062 1.00 15.00 H new ATOM 0 HA ALA A 35 -4.139 3.765 8.119 1.00 15.00 H new ATOM 0 HB1 ALA A 35 -3.697 1.357 8.437 1.00 15.00 H new ATOM 0 HB2 ALA A 35 -5.321 1.806 9.010 1.00 15.00 H new ATOM 0 HB3 ALA A 35 -5.128 0.968 7.453 1.00 15.00 H new ATOM 436 N SER A 36 -2.388 3.299 6.398 1.00 15.00 N ATOM 437 CA SER A 36 -1.404 3.201 5.333 1.00 15.00 C ATOM 438 C SER A 36 -0.456 2.048 5.626 1.00 15.00 C ATOM 439 O SER A 36 0.340 2.123 6.560 1.00 15.00 O ATOM 440 CB SER A 36 -0.615 4.508 5.226 1.00 15.00 C ATOM 441 OG SER A 36 -1.478 5.630 5.289 1.00 15.00 O ATOM 0 H SER A 36 -2.027 3.681 7.272 1.00 15.00 H new ATOM 0 HA SER A 36 -1.914 3.020 4.387 1.00 15.00 H new ATOM 0 HB2 SER A 36 0.117 4.562 6.032 1.00 15.00 H new ATOM 0 HB3 SER A 36 -0.059 4.525 4.289 1.00 15.00 H new ATOM 0 HG SER A 36 -0.950 6.453 5.220 1.00 15.00 H new ATOM 447 N GLN A 37 -0.549 0.966 4.863 1.00 15.00 N ATOM 448 CA GLN A 37 0.293 -0.181 5.140 1.00 15.00 C ATOM 449 C GLN A 37 1.562 -0.157 4.293 1.00 15.00 C ATOM 450 O GLN A 37 1.507 -0.120 3.078 1.00 15.00 O ATOM 451 CB GLN A 37 -0.460 -1.513 4.948 1.00 15.00 C ATOM 452 CG GLN A 37 -0.684 -1.930 3.506 1.00 15.00 C ATOM 453 CD GLN A 37 -0.914 -3.422 3.375 1.00 15.00 C ATOM 454 OE1 GLN A 37 -1.465 -4.059 4.269 1.00 15.00 O ATOM 455 NE2 GLN A 37 -0.483 -3.994 2.261 1.00 15.00 N ATOM 0 H GLN A 37 -1.182 0.862 4.070 1.00 15.00 H new ATOM 0 HA GLN A 37 0.579 -0.113 6.190 1.00 15.00 H new ATOM 0 HB2 GLN A 37 0.096 -2.302 5.455 1.00 15.00 H new ATOM 0 HB3 GLN A 37 -1.429 -1.438 5.442 1.00 15.00 H new ATOM 0 HG2 GLN A 37 -1.543 -1.394 3.103 1.00 15.00 H new ATOM 0 HG3 GLN A 37 0.180 -1.643 2.907 1.00 15.00 H new ATOM 0 HE21 GLN A 37 -0.030 -3.431 1.541 1.00 15.00 H new ATOM 0 HE22 GLN A 37 -0.604 -4.997 2.123 1.00 15.00 H new ATOM 464 N TRP A 38 2.682 -0.107 4.994 1.00 15.00 N ATOM 465 CA TRP A 38 4.033 -0.443 4.503 1.00 15.00 C ATOM 466 C TRP A 38 4.173 -1.644 3.527 1.00 15.00 C ATOM 467 O TRP A 38 5.250 -1.882 2.982 1.00 15.00 O ATOM 468 CB TRP A 38 4.962 -0.614 5.692 1.00 15.00 C ATOM 469 CG TRP A 38 5.668 0.645 6.099 1.00 15.00 C ATOM 470 CD1 TRP A 38 5.735 1.267 7.310 1.00 15.00 C ATOM 471 CD2 TRP A 38 6.473 1.402 5.228 1.00 15.00 C ATOM 472 NE1 TRP A 38 6.639 2.306 7.245 1.00 15.00 N ATOM 473 CE2 TRP A 38 7.087 2.402 5.955 1.00 15.00 C ATOM 474 CE3 TRP A 38 6.747 1.295 3.889 1.00 15.00 C ATOM 475 CZ2 TRP A 38 7.977 3.266 5.348 1.00 15.00 C ATOM 476 CZ3 TRP A 38 7.587 2.133 3.296 1.00 15.00 C ATOM 477 CH2 TRP A 38 8.203 3.094 3.998 1.00 15.00 C ATOM 0 H TRP A 38 2.688 0.182 5.972 1.00 15.00 H new ATOM 0 HA TRP A 38 4.308 0.404 3.875 1.00 15.00 H new ATOM 0 HB2 TRP A 38 4.386 -0.986 6.540 1.00 15.00 H new ATOM 0 HB3 TRP A 38 5.705 -1.375 5.453 1.00 15.00 H new ATOM 0 HD1 TRP A 38 5.167 0.989 8.186 1.00 15.00 H new ATOM 0 HE1 TRP A 38 6.925 2.900 8.023 1.00 15.00 H new ATOM 0 HE3 TRP A 38 6.272 0.518 3.309 1.00 15.00 H new ATOM 0 HZ2 TRP A 38 8.475 4.044 5.907 1.00 15.00 H new ATOM 0 HZ3 TRP A 38 7.776 2.040 2.237 1.00 15.00 H new ATOM 0 HH2 TRP A 38 8.895 3.752 3.493 1.00 15.00 H new ATOM 488 N GLU A 39 3.114 -2.377 3.331 1.00 15.00 N ATOM 489 CA GLU A 39 3.144 -3.789 2.957 1.00 15.00 C ATOM 490 C GLU A 39 2.737 -4.011 1.498 1.00 15.00 C ATOM 491 O GLU A 39 2.373 -3.080 0.797 1.00 15.00 O ATOM 492 CB GLU A 39 2.302 -4.632 3.908 1.00 15.00 C ATOM 493 CG GLU A 39 2.891 -4.704 5.307 1.00 15.00 C ATOM 494 CD GLU A 39 4.378 -5.022 5.287 1.00 15.00 C ATOM 495 OE1 GLU A 39 4.749 -6.127 4.841 1.00 15.00 O ATOM 496 OE2 GLU A 39 5.180 -4.163 5.713 1.00 15.00 O1- ATOM 0 H GLU A 39 2.168 -2.009 3.427 1.00 15.00 H new ATOM 0 HA GLU A 39 4.179 -4.120 3.047 1.00 15.00 H new ATOM 0 HB2 GLU A 39 1.296 -4.215 3.963 1.00 15.00 H new ATOM 0 HB3 GLU A 39 2.207 -5.641 3.506 1.00 15.00 H new ATOM 0 HG2 GLU A 39 2.731 -3.754 5.816 1.00 15.00 H new ATOM 0 HG3 GLU A 39 2.366 -5.466 5.882 1.00 15.00 H new ATOM 503 N ARG A 40 3.070 -5.158 0.957 1.00 15.00 N ATOM 504 CA ARG A 40 2.494 -5.549 -0.323 1.00 15.00 C ATOM 505 C ARG A 40 1.704 -6.852 -0.195 1.00 15.00 C ATOM 506 O ARG A 40 2.252 -7.900 0.138 1.00 15.00 O ATOM 507 CB ARG A 40 3.611 -5.647 -1.372 1.00 15.00 C ATOM 508 CG ARG A 40 3.233 -6.351 -2.663 1.00 15.00 C ATOM 509 CD ARG A 40 4.423 -6.403 -3.610 1.00 15.00 C ATOM 510 NE ARG A 40 4.267 -7.424 -4.647 1.00 15.00 N ATOM 511 CZ ARG A 40 5.223 -7.767 -5.510 1.00 15.00 C ATOM 512 NH1 ARG A 40 6.387 -7.130 -5.509 1.00 15.00 N1+ ATOM 513 NH2 ARG A 40 5.009 -8.747 -6.377 1.00 15.00 N ATOM 0 H ARG A 40 3.721 -5.829 1.365 1.00 15.00 H new ATOM 0 HA ARG A 40 1.783 -4.790 -0.650 1.00 15.00 H new ATOM 0 HB2 ARG A 40 3.949 -4.639 -1.613 1.00 15.00 H new ATOM 0 HB3 ARG A 40 4.458 -6.169 -0.928 1.00 15.00 H new ATOM 0 HG2 ARG A 40 2.889 -7.362 -2.445 1.00 15.00 H new ATOM 0 HG3 ARG A 40 2.404 -5.828 -3.140 1.00 15.00 H new ATOM 0 HD2 ARG A 40 4.552 -5.428 -4.080 1.00 15.00 H new ATOM 0 HD3 ARG A 40 5.330 -6.604 -3.039 1.00 15.00 H new ATOM 0 HE ARG A 40 3.369 -7.904 -4.713 1.00 15.00 H new ATOM 0 HH11 ARG A 40 6.554 -6.374 -4.845 1.00 15.00 H new ATOM 0 HH12 ARG A 40 7.115 -7.397 -6.172 1.00 15.00 H new ATOM 0 HH21 ARG A 40 4.114 -9.237 -6.383 1.00 15.00 H new ATOM 0 HH22 ARG A 40 5.739 -9.011 -7.038 1.00 15.00 H new ATOM 527 N PRO A 41 0.382 -6.775 -0.461 1.00 15.00 N ATOM 528 CA PRO A 41 -0.547 -7.908 -0.317 1.00 15.00 C ATOM 529 C PRO A 41 -0.423 -8.932 -1.448 1.00 15.00 C ATOM 530 O PRO A 41 -1.023 -10.006 -1.397 1.00 15.00 O ATOM 531 CB PRO A 41 -1.918 -7.226 -0.381 1.00 15.00 C ATOM 532 CG PRO A 41 -1.693 -6.066 -1.278 1.00 15.00 C ATOM 533 CD PRO A 41 -0.322 -5.560 -0.924 1.00 15.00 C ATOM 0 HA PRO A 41 -0.358 -8.474 0.595 1.00 15.00 H new ATOM 0 HB2 PRO A 41 -2.681 -7.897 -0.777 1.00 15.00 H new ATOM 0 HB3 PRO A 41 -2.254 -6.909 0.606 1.00 15.00 H new ATOM 0 HG2 PRO A 41 -1.746 -6.361 -2.326 1.00 15.00 H new ATOM 0 HG3 PRO A 41 -2.449 -5.296 -1.125 1.00 15.00 H new ATOM 0 HD2 PRO A 41 0.175 -5.111 -1.784 1.00 15.00 H new ATOM 0 HD3 PRO A 41 -0.363 -4.798 -0.146 1.00 15.00 H new ATOM 607 N PRO B 177 -3.036 10.191 0.929 1.00 15.00 N ATOM 608 CA PRO B 177 -1.998 9.173 1.103 1.00 15.00 C ATOM 609 C PRO B 177 -0.959 9.137 -0.008 1.00 15.00 C ATOM 610 O PRO B 177 -1.318 8.983 -1.170 1.00 15.00 O ATOM 611 CB PRO B 177 -2.766 7.845 1.025 1.00 15.00 C ATOM 612 CG PRO B 177 -4.167 8.156 0.590 1.00 15.00 C ATOM 613 CD PRO B 177 -4.285 9.632 0.370 1.00 15.00 C ATOM 0 HA PRO B 177 -1.457 9.371 2.028 1.00 15.00 H new ATOM 0 HB2 PRO B 177 -2.287 7.167 0.318 1.00 15.00 H new ATOM 0 HB3 PRO B 177 -2.768 7.346 1.994 1.00 15.00 H new ATOM 0 HG2 PRO B 177 -4.406 7.617 -0.327 1.00 15.00 H new ATOM 0 HG3 PRO B 177 -4.879 7.829 1.347 1.00 15.00 H new ATOM 0 HD2 PRO B 177 -4.386 9.868 -0.689 1.00 15.00 H new ATOM 0 HD3 PRO B 177 -5.162 10.039 0.873 1.00 15.00 H new ATOM 621 N GLU B 178 0.306 9.422 0.354 1.00 15.00 N ATOM 622 CA GLU B 178 1.481 8.849 -0.325 1.00 15.00 C ATOM 623 C GLU B 178 2.670 8.725 0.644 1.00 15.00 C ATOM 624 O GLU B 178 2.779 9.513 1.582 1.00 15.00 O ATOM 625 CB GLU B 178 1.938 9.614 -1.593 1.00 15.00 C ATOM 626 CG GLU B 178 1.052 9.451 -2.819 1.00 15.00 C ATOM 627 CD GLU B 178 1.540 10.259 -4.006 1.00 15.00 C ATOM 628 OE1 GLU B 178 1.286 11.484 -4.048 1.00 15.00 O1- ATOM 629 OE2 GLU B 178 2.184 9.673 -4.907 1.00 15.00 O ATOM 0 H GLU B 178 0.540 10.052 1.121 1.00 15.00 H new ATOM 0 HA GLU B 178 1.150 7.866 -0.659 1.00 15.00 H new ATOM 0 HB2 GLU B 178 2.001 10.675 -1.352 1.00 15.00 H new ATOM 0 HB3 GLU B 178 2.945 9.286 -1.849 1.00 15.00 H new ATOM 0 HG2 GLU B 178 1.010 8.397 -3.095 1.00 15.00 H new ATOM 0 HG3 GLU B 178 0.035 9.756 -2.571 1.00 15.00 H new ATOM 653 N PRO B 180 5.156 6.438 2.911 1.00 15.00 N ATOM 654 CA PRO B 180 5.288 6.213 4.361 1.00 15.00 C ATOM 655 C PRO B 180 6.722 6.308 4.944 1.00 15.00 C ATOM 656 O PRO B 180 6.833 6.372 6.167 1.00 15.00 O ATOM 657 CB PRO B 180 4.884 4.744 4.561 1.00 15.00 C ATOM 658 CG PRO B 180 4.987 4.098 3.223 1.00 15.00 C ATOM 659 CD PRO B 180 5.193 5.169 2.179 1.00 15.00 C ATOM 0 HA PRO B 180 4.695 6.982 4.856 1.00 15.00 H new ATOM 0 HB2 PRO B 180 5.540 4.255 5.281 1.00 15.00 H new ATOM 0 HB3 PRO B 180 3.869 4.669 4.952 1.00 15.00 H new ATOM 0 HG2 PRO B 180 5.817 3.392 3.208 1.00 15.00 H new ATOM 0 HG3 PRO B 180 4.082 3.530 3.008 1.00 15.00 H new ATOM 0 HD2 PRO B 180 6.146 5.039 1.666 1.00 15.00 H new ATOM 0 HD3 PRO B 180 4.413 5.131 1.418 1.00 15.00 H new ATOM 667 N PRO B 181 7.842 6.290 4.134 1.00 15.00 N ATOM 668 CA PRO B 181 9.131 5.775 4.621 1.00 15.00 C ATOM 669 C PRO B 181 9.578 6.417 5.948 1.00 15.00 C ATOM 670 O PRO B 181 9.247 7.572 6.228 1.00 15.00 O ATOM 671 CB PRO B 181 10.126 6.132 3.512 1.00 15.00 C ATOM 672 CG PRO B 181 9.295 6.268 2.299 1.00 15.00 C ATOM 673 CD PRO B 181 7.997 6.840 2.773 1.00 15.00 C ATOM 0 HA PRO B 181 9.063 4.707 4.828 1.00 15.00 H new ATOM 0 HB2 PRO B 181 10.655 7.058 3.737 1.00 15.00 H new ATOM 0 HB3 PRO B 181 10.881 5.355 3.391 1.00 15.00 H new ATOM 0 HG2 PRO B 181 9.770 6.923 1.568 1.00 15.00 H new ATOM 0 HG3 PRO B 181 9.146 5.303 1.814 1.00 15.00 H new ATOM 0 HD2 PRO B 181 8.021 7.930 2.783 1.00 15.00 H new ATOM 0 HD3 PRO B 181 7.171 6.545 2.126 1.00 15.00 H new