USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 501 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 92 THR OG1 : rot 180:sc= 0.00143 USER MOD Set 1.2: A 138 LYS NZ :NH3+ -165:sc= 0.985 (180deg=0.556) USER MOD Set 2.1: A 135 CYS SG : rot -31:sc= -0.896 USER MOD Set 2.2: A 136 THR OG1 : rot 80:sc= 0.568 USER MOD Set 3.1: A 102 MET CE :methyl -145:sc= 0 (180deg=-0.863) USER MOD Set 3.2: A 118 GLN : amide:sc= -0.0399 X(o=-0.04,f=-0.52) USER MOD Single : A 89 GLN : amide:sc= -2.13! C(o=-2.1!,f=-1.5!) USER MOD Single : A 94 SER OG : rot 70:sc= 1.25 USER MOD Single : A 97 MET CE :methyl 157:sc= -0.258 (180deg=-1.07) USER MOD Single : A 107 ASN : amide:sc= -0.018 K(o=-0.018,f=-1.4) USER MOD Single : A 108 THR OG1 : rot 45:sc= 0.713 USER MOD Single : A 109 SER OG : rot 38:sc= 0.302 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 15:sc= 0.41! USER MOD Single : A 112 ASN : amide:sc= -0.516 K(o=-0.52,f=-3.9!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 HIS : no HD1:sc= -1.69 X(o=-1.7,f=-2!) USER MOD Single : A 120 SER OG : rot -44:sc= 0.96 USER MOD Single : A 121 SER OG : rot -37:sc= 0.706 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl -165:sc= -0.978 (180deg=-2.08!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 87 10.360 -0.018 10.630 1.00 0.00 N ATOM 109 CA TRP A 87 9.782 -0.280 9.317 1.00 0.00 C ATOM 110 C TRP A 87 10.689 0.243 8.209 1.00 0.00 C ATOM 111 O TRP A 87 10.908 1.448 8.090 1.00 0.00 O ATOM 112 CB TRP A 87 8.399 0.365 9.208 1.00 0.00 C ATOM 113 CG TRP A 87 7.309 -0.460 9.823 1.00 0.00 C ATOM 114 CD1 TRP A 87 6.998 -0.549 11.150 1.00 0.00 C ATOM 115 CD2 TRP A 87 6.387 -1.312 9.134 1.00 0.00 C ATOM 116 NE1 TRP A 87 5.938 -1.406 11.327 1.00 0.00 N ATOM 117 CE2 TRP A 87 5.545 -1.887 10.107 1.00 0.00 C ATOM 118 CE3 TRP A 87 6.191 -1.645 7.792 1.00 0.00 C ATOM 119 CZ2 TRP A 87 4.525 -2.775 9.776 1.00 0.00 C ATOM 120 CZ3 TRP A 87 5.178 -2.527 7.466 1.00 0.00 C ATOM 121 CH2 TRP A 87 4.355 -3.083 8.454 1.00 0.00 C ATOM 0 HA TRP A 87 9.682 -1.359 9.200 1.00 0.00 H new ATOM 0 HB2 TRP A 87 8.422 1.342 9.691 1.00 0.00 H new ATOM 0 HB3 TRP A 87 8.167 0.535 8.157 1.00 0.00 H new ATOM 0 HD1 TRP A 87 7.509 -0.024 11.943 1.00 0.00 H new ATOM 0 HE1 TRP A 87 5.513 -1.645 12.223 1.00 0.00 H new ATOM 0 HE3 TRP A 87 6.820 -1.221 7.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 3.890 -3.206 10.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 5.018 -2.792 6.431 1.00 0.00 H new ATOM 0 HH2 TRP A 87 3.571 -3.768 8.166 1.00 0.00 H new ATOM 132 N VAL A 88 11.214 -0.671 7.399 1.00 0.00 N ATOM 133 CA VAL A 88 12.097 -0.301 6.299 1.00 0.00 C ATOM 134 C VAL A 88 11.298 0.103 5.065 1.00 0.00 C ATOM 135 O VAL A 88 10.298 -0.530 4.727 1.00 0.00 O ATOM 136 CB VAL A 88 13.045 -1.456 5.928 1.00 0.00 C ATOM 137 CG1 VAL A 88 14.165 -1.577 6.949 1.00 0.00 C ATOM 138 CG2 VAL A 88 12.274 -2.762 5.813 1.00 0.00 C ATOM 0 H VAL A 88 11.043 -1.673 7.484 1.00 0.00 H new ATOM 0 HA VAL A 88 12.688 0.549 6.640 1.00 0.00 H new ATOM 0 HB VAL A 88 13.492 -1.238 4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.825 -2.399 6.670 1.00 0.00 H new ATOM 0 HG12 VAL A 88 14.734 -0.648 6.976 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.740 -1.771 7.934 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.960 -3.567 5.550 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.797 -2.988 6.767 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.512 -2.668 5.040 1.00 0.00 H new ATOM 148 N GLN A 89 11.746 1.161 4.397 1.00 0.00 N ATOM 149 CA GLN A 89 11.072 1.649 3.199 1.00 0.00 C ATOM 150 C GLN A 89 10.495 0.493 2.390 1.00 0.00 C ATOM 151 O GLN A 89 9.313 0.491 2.046 1.00 0.00 O ATOM 152 CB GLN A 89 12.042 2.457 2.336 1.00 0.00 C ATOM 153 CG GLN A 89 12.264 3.876 2.836 1.00 0.00 C ATOM 154 CD GLN A 89 12.714 3.921 4.283 1.00 0.00 C ATOM 155 OE1 GLN A 89 12.007 4.438 5.149 1.00 0.00 O ATOM 156 NE2 GLN A 89 13.895 3.377 4.554 1.00 0.00 N ATOM 0 H GLN A 89 12.572 1.696 4.664 1.00 0.00 H new ATOM 0 HA GLN A 89 10.251 2.294 3.512 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.001 1.939 2.300 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.662 2.496 1.315 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.012 4.364 2.211 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.340 4.444 2.729 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.448 2.959 3.806 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.249 3.377 5.511 1.00 0.00 H new ATOM 165 N ASP A 90 11.337 -0.489 2.087 1.00 0.00 N ATOM 166 CA ASP A 90 10.910 -1.653 1.318 1.00 0.00 C ATOM 167 C ASP A 90 9.573 -2.180 1.828 1.00 0.00 C ATOM 168 O ASP A 90 8.626 -2.344 1.059 1.00 0.00 O ATOM 169 CB ASP A 90 11.969 -2.755 1.390 1.00 0.00 C ATOM 170 CG ASP A 90 13.373 -2.224 1.176 1.00 0.00 C ATOM 171 OD1 ASP A 90 13.706 -1.873 0.025 1.00 0.00 O ATOM 172 OD2 ASP A 90 14.138 -2.158 2.161 1.00 0.00 O ATOM 0 H ASP A 90 12.319 -0.502 2.362 1.00 0.00 H new ATOM 0 HA ASP A 90 10.786 -1.347 0.279 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.913 -3.245 2.362 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.752 -3.513 0.638 1.00 0.00 H new ATOM 177 N GLU A 91 9.504 -2.446 3.129 1.00 0.00 N ATOM 178 CA GLU A 91 8.283 -2.957 3.740 1.00 0.00 C ATOM 179 C GLU A 91 7.134 -1.969 3.568 1.00 0.00 C ATOM 180 O GLU A 91 6.073 -2.316 3.046 1.00 0.00 O ATOM 181 CB GLU A 91 8.510 -3.239 5.226 1.00 0.00 C ATOM 182 CG GLU A 91 9.114 -4.606 5.502 1.00 0.00 C ATOM 183 CD GLU A 91 9.498 -4.792 6.957 1.00 0.00 C ATOM 184 OE1 GLU A 91 9.774 -3.778 7.632 1.00 0.00 O ATOM 185 OE2 GLU A 91 9.521 -5.951 7.420 1.00 0.00 O ATOM 0 H GLU A 91 10.279 -2.316 3.779 1.00 0.00 H new ATOM 0 HA GLU A 91 8.017 -3.887 3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 91 9.166 -2.472 5.636 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.558 -3.159 5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 91 8.400 -5.379 5.217 1.00 0.00 H new ATOM 0 HG3 GLU A 91 9.997 -4.742 4.877 1.00 0.00 H new ATOM 192 N THR A 92 7.351 -0.734 4.011 1.00 0.00 N ATOM 193 CA THR A 92 6.334 0.305 3.908 1.00 0.00 C ATOM 194 C THR A 92 5.766 0.380 2.496 1.00 0.00 C ATOM 195 O THR A 92 4.622 -0.008 2.255 1.00 0.00 O ATOM 196 CB THR A 92 6.899 1.684 4.297 1.00 0.00 C ATOM 197 OG1 THR A 92 7.603 1.593 5.540 1.00 0.00 O ATOM 198 CG2 THR A 92 5.784 2.712 4.413 1.00 0.00 C ATOM 0 H THR A 92 8.222 -0.429 4.445 1.00 0.00 H new ATOM 0 HA THR A 92 5.538 0.038 4.603 1.00 0.00 H new ATOM 0 HB THR A 92 7.587 2.004 3.514 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.960 2.474 5.779 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.207 3.678 4.689 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.270 2.801 3.456 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.075 2.395 5.178 1.00 0.00 H new ATOM 206 N ARG A 93 6.571 0.881 1.565 1.00 0.00 N ATOM 207 CA ARG A 93 6.148 1.008 0.176 1.00 0.00 C ATOM 208 C ARG A 93 5.367 -0.226 -0.269 1.00 0.00 C ATOM 209 O ARG A 93 4.245 -0.118 -0.764 1.00 0.00 O ATOM 210 CB ARG A 93 7.361 1.212 -0.733 1.00 0.00 C ATOM 211 CG ARG A 93 6.999 1.647 -2.144 1.00 0.00 C ATOM 212 CD ARG A 93 6.765 0.450 -3.053 1.00 0.00 C ATOM 213 NE ARG A 93 7.995 0.007 -3.703 1.00 0.00 N ATOM 214 CZ ARG A 93 8.681 0.752 -4.564 1.00 0.00 C ATOM 215 NH1 ARG A 93 8.258 1.969 -4.876 1.00 0.00 N ATOM 216 NH2 ARG A 93 9.792 0.279 -5.114 1.00 0.00 N ATOM 0 H ARG A 93 7.520 1.206 1.748 1.00 0.00 H new ATOM 0 HA ARG A 93 5.495 1.878 0.099 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.016 1.961 -0.288 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.928 0.282 -0.783 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.102 2.265 -2.116 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.799 2.264 -2.552 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.347 -0.371 -2.471 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.027 0.710 -3.812 1.00 0.00 H new ATOM 0 HE ARG A 93 8.347 -0.925 -3.484 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.404 2.336 -4.455 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.786 2.539 -5.537 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.120 -0.657 -4.876 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.318 0.851 -5.775 1.00 0.00 H new ATOM 230 N SER A 94 5.969 -1.397 -0.090 1.00 0.00 N ATOM 231 CA SER A 94 5.333 -2.651 -0.477 1.00 0.00 C ATOM 232 C SER A 94 3.940 -2.765 0.136 1.00 0.00 C ATOM 233 O SER A 94 2.935 -2.775 -0.576 1.00 0.00 O ATOM 234 CB SER A 94 6.192 -3.839 -0.042 1.00 0.00 C ATOM 235 OG SER A 94 7.471 -3.794 -0.651 1.00 0.00 O ATOM 0 H SER A 94 6.897 -1.504 0.321 1.00 0.00 H new ATOM 0 HA SER A 94 5.236 -2.660 -1.563 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.302 -3.835 1.042 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.692 -4.770 -0.308 1.00 0.00 H new ATOM 0 HG SER A 94 7.988 -3.053 -0.272 1.00 0.00 H new ATOM 241 N LEU A 95 3.889 -2.850 1.460 1.00 0.00 N ATOM 242 CA LEU A 95 2.620 -2.963 2.171 1.00 0.00 C ATOM 243 C LEU A 95 1.540 -2.126 1.493 1.00 0.00 C ATOM 244 O LEU A 95 0.455 -2.623 1.189 1.00 0.00 O ATOM 245 CB LEU A 95 2.786 -2.521 3.626 1.00 0.00 C ATOM 246 CG LEU A 95 1.495 -2.233 4.392 1.00 0.00 C ATOM 247 CD1 LEU A 95 0.764 -3.528 4.711 1.00 0.00 C ATOM 248 CD2 LEU A 95 1.793 -1.458 5.667 1.00 0.00 C ATOM 0 H LEU A 95 4.711 -2.843 2.063 1.00 0.00 H new ATOM 0 HA LEU A 95 2.311 -4.008 2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.336 -3.296 4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.403 -1.623 3.644 1.00 0.00 H new ATOM 0 HG LEU A 95 0.849 -1.621 3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.153 -3.304 5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.517 -4.044 3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.403 -4.165 5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.862 -1.262 6.199 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.458 -2.044 6.302 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.273 -0.512 5.414 1.00 0.00 H new ATOM 260 N ILE A 96 1.845 -0.854 1.259 1.00 0.00 N ATOM 261 CA ILE A 96 0.901 0.051 0.615 1.00 0.00 C ATOM 262 C ILE A 96 0.509 -0.457 -0.769 1.00 0.00 C ATOM 263 O ILE A 96 -0.668 -0.463 -1.128 1.00 0.00 O ATOM 264 CB ILE A 96 1.483 1.470 0.482 1.00 0.00 C ATOM 265 CG1 ILE A 96 1.756 2.065 1.865 1.00 0.00 C ATOM 266 CG2 ILE A 96 0.534 2.361 -0.306 1.00 0.00 C ATOM 267 CD1 ILE A 96 2.645 3.289 1.832 1.00 0.00 C ATOM 0 H ILE A 96 2.738 -0.427 1.506 1.00 0.00 H new ATOM 0 HA ILE A 96 0.016 0.088 1.250 1.00 0.00 H new ATOM 0 HB ILE A 96 2.427 1.410 -0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.807 2.328 2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.221 1.305 2.493 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.960 3.361 -0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.386 1.944 -1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.424 2.418 0.210 1.00 0.00 H new ATOM 0 HD11 ILE A 96 2.796 3.657 2.847 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.608 3.027 1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 96 2.172 4.066 1.231 1.00 0.00 H new ATOM 279 N MET A 97 1.504 -0.885 -1.540 1.00 0.00 N ATOM 280 CA MET A 97 1.262 -1.399 -2.883 1.00 0.00 C ATOM 281 C MET A 97 0.227 -2.519 -2.859 1.00 0.00 C ATOM 282 O MET A 97 -0.755 -2.486 -3.601 1.00 0.00 O ATOM 283 CB MET A 97 2.567 -1.908 -3.499 1.00 0.00 C ATOM 284 CG MET A 97 3.344 -0.836 -4.246 1.00 0.00 C ATOM 285 SD MET A 97 4.850 -1.473 -5.006 1.00 0.00 S ATOM 286 CE MET A 97 4.186 -2.795 -6.017 1.00 0.00 C ATOM 0 H MET A 97 2.484 -0.886 -1.258 1.00 0.00 H new ATOM 0 HA MET A 97 0.874 -0.583 -3.493 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.197 -2.318 -2.709 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.342 -2.726 -4.184 1.00 0.00 H new ATOM 0 HG2 MET A 97 2.708 -0.402 -5.017 1.00 0.00 H new ATOM 0 HG3 MET A 97 3.602 -0.032 -3.556 1.00 0.00 H new ATOM 0 HE1 MET A 97 4.877 -3.013 -6.831 1.00 0.00 H new ATOM 0 HE2 MET A 97 4.052 -3.688 -5.406 1.00 0.00 H new ATOM 0 HE3 MET A 97 3.224 -2.490 -6.430 1.00 0.00 H new ATOM 296 N PHE A 98 0.452 -3.509 -2.001 1.00 0.00 N ATOM 297 CA PHE A 98 -0.461 -4.639 -1.882 1.00 0.00 C ATOM 298 C PHE A 98 -1.825 -4.185 -1.371 1.00 0.00 C ATOM 299 O PHE A 98 -2.863 -4.642 -1.849 1.00 0.00 O ATOM 300 CB PHE A 98 0.122 -5.696 -0.942 1.00 0.00 C ATOM 301 CG PHE A 98 1.598 -5.912 -1.124 1.00 0.00 C ATOM 302 CD1 PHE A 98 2.135 -6.083 -2.389 1.00 0.00 C ATOM 303 CD2 PHE A 98 2.447 -5.942 -0.030 1.00 0.00 C ATOM 304 CE1 PHE A 98 3.492 -6.283 -2.560 1.00 0.00 C ATOM 305 CE2 PHE A 98 3.805 -6.141 -0.194 1.00 0.00 C ATOM 306 CZ PHE A 98 4.328 -6.310 -1.461 1.00 0.00 C ATOM 0 H PHE A 98 1.259 -3.551 -1.378 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.590 -5.075 -2.873 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.069 -5.399 0.089 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.398 -6.640 -1.103 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.486 -6.060 -3.252 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.043 -5.808 0.963 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.898 -6.418 -3.552 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.456 -6.164 0.667 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.389 -6.463 -1.592 1.00 0.00 H new ATOM 316 N ARG A 99 -1.814 -3.282 -0.395 1.00 0.00 N ATOM 317 CA ARG A 99 -3.049 -2.767 0.183 1.00 0.00 C ATOM 318 C ARG A 99 -3.862 -2.006 -0.861 1.00 0.00 C ATOM 319 O ARG A 99 -4.920 -2.464 -1.292 1.00 0.00 O ATOM 320 CB ARG A 99 -2.740 -1.853 1.369 1.00 0.00 C ATOM 321 CG ARG A 99 -3.980 -1.319 2.067 1.00 0.00 C ATOM 322 CD ARG A 99 -4.554 -2.338 3.039 1.00 0.00 C ATOM 323 NE ARG A 99 -5.629 -1.775 3.851 1.00 0.00 N ATOM 324 CZ ARG A 99 -6.825 -1.457 3.369 1.00 0.00 C ATOM 325 NH1 ARG A 99 -7.099 -1.646 2.086 1.00 0.00 N ATOM 326 NH2 ARG A 99 -7.752 -0.948 4.172 1.00 0.00 N ATOM 0 H ARG A 99 -0.963 -2.892 0.011 1.00 0.00 H new ATOM 0 HA ARG A 99 -3.639 -3.615 0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -2.135 -2.401 2.091 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -2.139 -1.013 1.022 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -3.731 -0.403 2.603 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -4.734 -1.059 1.324 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -4.931 -3.197 2.483 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -3.761 -2.704 3.691 1.00 0.00 H new ATOM 0 HE ARG A 99 -5.452 -1.617 4.843 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -6.390 -2.037 1.465 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -8.019 -1.401 1.719 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -7.546 -0.801 5.160 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -8.670 -0.704 3.801 1.00 0.00 H new ATOM 340 N ARG A 100 -3.360 -0.843 -1.261 1.00 0.00 N ATOM 341 CA ARG A 100 -4.039 -0.018 -2.253 1.00 0.00 C ATOM 342 C ARG A 100 -4.590 -0.875 -3.389 1.00 0.00 C ATOM 343 O ARG A 100 -5.685 -0.629 -3.892 1.00 0.00 O ATOM 344 CB ARG A 100 -3.083 1.036 -2.813 1.00 0.00 C ATOM 345 CG ARG A 100 -1.989 0.459 -3.696 1.00 0.00 C ATOM 346 CD ARG A 100 -0.932 1.500 -4.027 1.00 0.00 C ATOM 347 NE ARG A 100 -0.121 1.110 -5.177 1.00 0.00 N ATOM 348 CZ ARG A 100 -0.593 1.029 -6.416 1.00 0.00 C ATOM 349 NH1 ARG A 100 -1.865 1.309 -6.664 1.00 0.00 N ATOM 350 NH2 ARG A 100 0.207 0.667 -7.410 1.00 0.00 N ATOM 0 H ARG A 100 -2.485 -0.450 -0.913 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.873 0.483 -1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.655 1.765 -3.387 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.623 1.574 -1.984 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -1.522 -0.387 -3.192 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.428 0.078 -4.618 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -1.416 2.455 -4.232 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.286 1.649 -3.162 1.00 0.00 H new ATOM 0 HE ARG A 100 0.862 0.888 -5.020 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -2.484 1.587 -5.902 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -2.225 1.246 -7.616 1.00 0.00 H new ATOM 0 HH21 ARG A 100 1.186 0.450 -7.224 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.157 0.605 -8.361 1.00 0.00 H new ATOM 364 N GLY A 101 -3.821 -1.884 -3.788 1.00 0.00 N ATOM 365 CA GLY A 101 -4.247 -2.762 -4.862 1.00 0.00 C ATOM 366 C GLY A 101 -5.417 -3.640 -4.463 1.00 0.00 C ATOM 367 O GLY A 101 -6.273 -3.957 -5.288 1.00 0.00 O ATOM 0 H GLY A 101 -2.911 -2.109 -3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.526 -2.162 -5.729 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.411 -3.392 -5.166 1.00 0.00 H new ATOM 371 N MET A 102 -5.453 -4.034 -3.194 1.00 0.00 N ATOM 372 CA MET A 102 -6.527 -4.881 -2.688 1.00 0.00 C ATOM 373 C MET A 102 -7.672 -4.036 -2.137 1.00 0.00 C ATOM 374 O MET A 102 -8.659 -4.568 -1.628 1.00 0.00 O ATOM 375 CB MET A 102 -5.997 -5.815 -1.598 1.00 0.00 C ATOM 376 CG MET A 102 -5.426 -7.116 -2.139 1.00 0.00 C ATOM 377 SD MET A 102 -4.683 -8.136 -0.851 1.00 0.00 S ATOM 378 CE MET A 102 -6.138 -8.919 -0.158 1.00 0.00 C ATOM 0 H MET A 102 -4.752 -3.781 -2.498 1.00 0.00 H new ATOM 0 HA MET A 102 -6.906 -5.479 -3.517 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.224 -5.296 -1.031 1.00 0.00 H new ATOM 0 HB3 MET A 102 -6.804 -6.043 -0.902 1.00 0.00 H new ATOM 0 HG2 MET A 102 -6.219 -7.679 -2.631 1.00 0.00 H new ATOM 0 HG3 MET A 102 -4.676 -6.892 -2.897 1.00 0.00 H new ATOM 0 HE1 MET A 102 -6.005 -9.048 0.916 1.00 0.00 H new ATOM 0 HE2 MET A 102 -7.011 -8.293 -0.343 1.00 0.00 H new ATOM 0 HE3 MET A 102 -6.285 -9.893 -0.625 1.00 0.00 H new ATOM 388 N ASP A 103 -7.533 -2.719 -2.242 1.00 0.00 N ATOM 389 CA ASP A 103 -8.557 -1.802 -1.756 1.00 0.00 C ATOM 390 C ASP A 103 -9.936 -2.205 -2.267 1.00 0.00 C ATOM 391 O ASP A 103 -10.887 -2.320 -1.495 1.00 0.00 O ATOM 392 CB ASP A 103 -8.237 -0.370 -2.190 1.00 0.00 C ATOM 393 CG ASP A 103 -8.900 0.665 -1.303 1.00 0.00 C ATOM 394 OD1 ASP A 103 -9.036 0.407 -0.089 1.00 0.00 O ATOM 395 OD2 ASP A 103 -9.284 1.734 -1.823 1.00 0.00 O ATOM 0 H ASP A 103 -6.722 -2.263 -2.659 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.565 -1.851 -0.667 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.157 -0.221 -2.173 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.563 -0.224 -3.220 1.00 0.00 H new ATOM 400 N GLY A 104 -10.038 -2.419 -3.576 1.00 0.00 N ATOM 401 CA GLY A 104 -11.304 -2.806 -4.168 1.00 0.00 C ATOM 402 C GLY A 104 -12.105 -3.731 -3.273 1.00 0.00 C ATOM 403 O GLY A 104 -13.325 -3.600 -3.164 1.00 0.00 O ATOM 0 H GLY A 104 -9.266 -2.331 -4.236 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -11.891 -1.912 -4.379 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -11.119 -3.299 -5.122 1.00 0.00 H new ATOM 407 N LEU A 105 -11.419 -4.669 -2.629 1.00 0.00 N ATOM 408 CA LEU A 105 -12.074 -5.621 -1.739 1.00 0.00 C ATOM 409 C LEU A 105 -12.531 -4.938 -0.453 1.00 0.00 C ATOM 410 O LEU A 105 -13.725 -4.878 -0.160 1.00 0.00 O ATOM 411 CB LEU A 105 -11.126 -6.775 -1.408 1.00 0.00 C ATOM 412 CG LEU A 105 -10.878 -7.783 -2.532 1.00 0.00 C ATOM 413 CD1 LEU A 105 -9.736 -8.718 -2.167 1.00 0.00 C ATOM 414 CD2 LEU A 105 -12.144 -8.574 -2.827 1.00 0.00 C ATOM 0 H LEU A 105 -10.409 -4.791 -2.707 1.00 0.00 H new ATOM 0 HA LEU A 105 -12.952 -6.016 -2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -10.167 -6.355 -1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -11.525 -7.312 -0.547 1.00 0.00 H new ATOM 0 HG LEU A 105 -10.598 -7.235 -3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.574 -9.428 -2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.828 -8.137 -2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.987 -9.260 -1.255 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -11.949 -9.286 -3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.454 -9.112 -1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -12.937 -7.891 -3.133 1.00 0.00 H new ATOM 426 N PHE A 106 -11.572 -4.424 0.310 1.00 0.00 N ATOM 427 CA PHE A 106 -11.876 -3.744 1.564 1.00 0.00 C ATOM 428 C PHE A 106 -13.154 -2.920 1.440 1.00 0.00 C ATOM 429 O PHE A 106 -14.028 -2.977 2.304 1.00 0.00 O ATOM 430 CB PHE A 106 -10.711 -2.840 1.973 1.00 0.00 C ATOM 431 CG PHE A 106 -9.497 -3.598 2.432 1.00 0.00 C ATOM 432 CD1 PHE A 106 -9.343 -3.944 3.764 1.00 0.00 C ATOM 433 CD2 PHE A 106 -8.511 -3.963 1.529 1.00 0.00 C ATOM 434 CE1 PHE A 106 -8.227 -4.641 4.189 1.00 0.00 C ATOM 435 CE2 PHE A 106 -7.394 -4.660 1.948 1.00 0.00 C ATOM 436 CZ PHE A 106 -7.251 -4.999 3.280 1.00 0.00 C ATOM 0 H PHE A 106 -10.579 -4.465 0.082 1.00 0.00 H new ATOM 0 HA PHE A 106 -12.027 -4.502 2.333 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -10.437 -2.209 1.128 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -11.040 -2.177 2.773 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.103 -3.666 4.479 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -8.617 -3.700 0.487 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -8.119 -4.905 5.231 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.633 -4.940 1.235 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.378 -5.543 3.609 1.00 0.00 H new ATOM 446 N ASN A 107 -13.255 -2.154 0.359 1.00 0.00 N ATOM 447 CA ASN A 107 -14.425 -1.317 0.121 1.00 0.00 C ATOM 448 C ASN A 107 -15.705 -2.045 0.521 1.00 0.00 C ATOM 449 O ASN A 107 -16.490 -1.547 1.329 1.00 0.00 O ATOM 450 CB ASN A 107 -14.496 -0.909 -1.352 1.00 0.00 C ATOM 451 CG ASN A 107 -13.445 0.120 -1.718 1.00 0.00 C ATOM 452 OD1 ASN A 107 -12.550 -0.149 -2.520 1.00 0.00 O ATOM 453 ND2 ASN A 107 -13.548 1.307 -1.131 1.00 0.00 N ATOM 0 H ASN A 107 -12.540 -2.096 -0.366 1.00 0.00 H new ATOM 0 HA ASN A 107 -14.330 -0.421 0.735 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -14.369 -1.793 -1.977 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -15.486 -0.506 -1.567 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -12.869 2.039 -1.339 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -14.306 1.486 -0.473 1.00 0.00 H new ATOM 460 N THR A 108 -15.909 -3.228 -0.049 1.00 0.00 N ATOM 461 CA THR A 108 -17.093 -4.025 0.247 1.00 0.00 C ATOM 462 C THR A 108 -16.716 -5.342 0.917 1.00 0.00 C ATOM 463 O THR A 108 -16.416 -6.328 0.244 1.00 0.00 O ATOM 464 CB THR A 108 -17.902 -4.324 -1.029 1.00 0.00 C ATOM 465 OG1 THR A 108 -17.069 -4.973 -1.996 1.00 0.00 O ATOM 466 CG2 THR A 108 -18.473 -3.045 -1.621 1.00 0.00 C ATOM 0 H THR A 108 -15.269 -3.656 -0.719 1.00 0.00 H new ATOM 0 HA THR A 108 -17.708 -3.437 0.928 1.00 0.00 H new ATOM 0 HB THR A 108 -18.729 -4.982 -0.762 1.00 0.00 H new ATOM 0 HG1 THR A 108 -16.544 -5.675 -1.557 1.00 0.00 H new ATOM 0 HG21 THR A 108 -19.040 -3.282 -2.521 1.00 0.00 H new ATOM 0 HG22 THR A 108 -19.130 -2.569 -0.893 1.00 0.00 H new ATOM 0 HG23 THR A 108 -17.659 -2.366 -1.874 1.00 0.00 H new ATOM 474 N SER A 109 -16.733 -5.351 2.246 1.00 0.00 N ATOM 475 CA SER A 109 -16.390 -6.546 3.007 1.00 0.00 C ATOM 476 C SER A 109 -16.647 -6.335 4.496 1.00 0.00 C ATOM 477 O SER A 109 -15.955 -5.558 5.153 1.00 0.00 O ATOM 478 CB SER A 109 -14.924 -6.918 2.778 1.00 0.00 C ATOM 479 OG SER A 109 -14.074 -5.808 3.010 1.00 0.00 O ATOM 0 H SER A 109 -16.981 -4.544 2.818 1.00 0.00 H new ATOM 0 HA SER A 109 -17.023 -7.362 2.660 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.646 -7.738 3.440 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.791 -7.274 1.757 1.00 0.00 H new ATOM 0 HG SER A 109 -14.411 -5.291 3.771 1.00 0.00 H new ATOM 485 N LYS A 110 -17.648 -7.033 5.022 1.00 0.00 N ATOM 486 CA LYS A 110 -17.998 -6.925 6.433 1.00 0.00 C ATOM 487 C LYS A 110 -16.746 -6.888 7.303 1.00 0.00 C ATOM 488 O LYS A 110 -16.554 -5.964 8.093 1.00 0.00 O ATOM 489 CB LYS A 110 -18.888 -8.098 6.851 1.00 0.00 C ATOM 490 CG LYS A 110 -20.287 -8.039 6.262 1.00 0.00 C ATOM 491 CD LYS A 110 -21.248 -8.939 7.020 1.00 0.00 C ATOM 492 CE LYS A 110 -22.661 -8.838 6.465 1.00 0.00 C ATOM 493 NZ LYS A 110 -23.337 -7.582 6.894 1.00 0.00 N ATOM 0 H LYS A 110 -18.231 -7.680 4.492 1.00 0.00 H new ATOM 0 HA LYS A 110 -18.545 -5.993 6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -18.413 -9.030 6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -18.961 -8.119 7.938 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -20.651 -7.012 6.288 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -20.255 -8.339 5.215 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -20.905 -9.972 6.960 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -21.250 -8.665 8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -22.627 -8.879 5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -23.244 -9.696 6.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -24.297 -7.551 6.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -23.392 -7.555 7.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -22.794 -6.762 6.554 1.00 0.00 H new ATOM 507 N SER A 111 -15.895 -7.898 7.151 1.00 0.00 N ATOM 508 CA SER A 111 -14.662 -7.982 7.925 1.00 0.00 C ATOM 509 C SER A 111 -13.459 -8.187 7.009 1.00 0.00 C ATOM 510 O SER A 111 -13.438 -9.106 6.191 1.00 0.00 O ATOM 511 CB SER A 111 -14.747 -9.126 8.938 1.00 0.00 C ATOM 512 OG SER A 111 -14.600 -10.383 8.301 1.00 0.00 O ATOM 0 H SER A 111 -16.037 -8.669 6.499 1.00 0.00 H new ATOM 0 HA SER A 111 -14.533 -7.041 8.460 1.00 0.00 H new ATOM 0 HB2 SER A 111 -13.971 -9.005 9.694 1.00 0.00 H new ATOM 0 HB3 SER A 111 -15.705 -9.087 9.456 1.00 0.00 H new ATOM 0 HG SER A 111 -14.245 -10.252 7.397 1.00 0.00 H new ATOM 518 N ASN A 112 -12.459 -7.324 7.155 1.00 0.00 N ATOM 519 CA ASN A 112 -11.252 -7.410 6.341 1.00 0.00 C ATOM 520 C ASN A 112 -10.238 -8.361 6.969 1.00 0.00 C ATOM 521 O ASN A 112 -9.028 -8.164 6.851 1.00 0.00 O ATOM 522 CB ASN A 112 -10.628 -6.023 6.169 1.00 0.00 C ATOM 523 CG ASN A 112 -10.413 -5.318 7.495 1.00 0.00 C ATOM 524 OD1 ASN A 112 -10.338 -5.956 8.545 1.00 0.00 O ATOM 525 ND2 ASN A 112 -10.313 -3.994 7.451 1.00 0.00 N ATOM 0 H ASN A 112 -12.460 -6.558 7.829 1.00 0.00 H new ATOM 0 HA ASN A 112 -11.531 -7.800 5.362 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -9.673 -6.119 5.652 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -11.273 -5.413 5.537 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -10.168 -3.465 8.311 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -10.381 -3.507 6.557 1.00 0.00 H new ATOM 532 N LYS A 113 -10.739 -9.394 7.638 1.00 0.00 N ATOM 533 CA LYS A 113 -9.879 -10.378 8.285 1.00 0.00 C ATOM 534 C LYS A 113 -9.058 -11.144 7.253 1.00 0.00 C ATOM 535 O LYS A 113 -7.830 -11.190 7.332 1.00 0.00 O ATOM 536 CB LYS A 113 -10.719 -11.354 9.111 1.00 0.00 C ATOM 537 CG LYS A 113 -9.891 -12.277 9.988 1.00 0.00 C ATOM 538 CD LYS A 113 -9.288 -11.533 11.168 1.00 0.00 C ATOM 539 CE LYS A 113 -8.882 -12.487 12.280 1.00 0.00 C ATOM 540 NZ LYS A 113 -8.436 -11.759 13.501 1.00 0.00 N ATOM 0 H LYS A 113 -11.738 -9.572 7.746 1.00 0.00 H new ATOM 0 HA LYS A 113 -9.194 -9.847 8.947 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -11.405 -10.787 9.740 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -11.328 -11.956 8.437 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -10.516 -13.092 10.352 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -9.095 -12.726 9.395 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -8.417 -10.968 10.836 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -10.009 -10.811 11.552 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -9.724 -13.133 12.530 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -8.078 -13.133 11.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -8.168 -12.445 14.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -7.617 -11.162 13.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -9.212 -11.162 13.852 1.00 0.00 H new ATOM 554 N HIS A 114 -9.743 -11.744 6.284 1.00 0.00 N ATOM 555 CA HIS A 114 -9.076 -12.506 5.235 1.00 0.00 C ATOM 556 C HIS A 114 -8.161 -11.607 4.409 1.00 0.00 C ATOM 557 O HIS A 114 -7.071 -12.016 4.006 1.00 0.00 O ATOM 558 CB HIS A 114 -10.109 -13.175 4.327 1.00 0.00 C ATOM 559 CG HIS A 114 -11.392 -12.412 4.215 1.00 0.00 C ATOM 560 ND1 HIS A 114 -12.406 -12.504 5.144 1.00 0.00 N ATOM 561 CD2 HIS A 114 -11.823 -11.537 3.276 1.00 0.00 C ATOM 562 CE1 HIS A 114 -13.406 -11.721 4.781 1.00 0.00 C ATOM 563 NE2 HIS A 114 -13.077 -11.122 3.651 1.00 0.00 N ATOM 0 H HIS A 114 -10.759 -11.717 6.204 1.00 0.00 H new ATOM 0 HA HIS A 114 -8.467 -13.276 5.709 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -9.681 -13.297 3.332 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -10.322 -14.174 4.707 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -11.281 -11.224 2.396 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -14.335 -11.593 5.317 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -13.660 -10.459 3.140 1.00 0.00 H new ATOM 571 N LEU A 115 -8.611 -10.382 4.159 1.00 0.00 N ATOM 572 CA LEU A 115 -7.833 -9.426 3.380 1.00 0.00 C ATOM 573 C LEU A 115 -6.447 -9.230 3.986 1.00 0.00 C ATOM 574 O LEU A 115 -5.445 -9.671 3.423 1.00 0.00 O ATOM 575 CB LEU A 115 -8.564 -8.084 3.306 1.00 0.00 C ATOM 576 CG LEU A 115 -10.026 -8.140 2.864 1.00 0.00 C ATOM 577 CD1 LEU A 115 -10.498 -6.769 2.405 1.00 0.00 C ATOM 578 CD2 LEU A 115 -10.210 -9.167 1.756 1.00 0.00 C ATOM 0 H LEU A 115 -9.510 -10.028 4.485 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.716 -9.825 2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -8.520 -7.614 4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -8.022 -7.435 2.618 1.00 0.00 H new ATOM 0 HG LEU A 115 -10.632 -8.444 3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -11.541 -6.829 2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.404 -6.058 3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -9.888 -6.436 1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.257 -9.193 1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -9.592 -8.894 0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -9.913 -10.151 2.119 1.00 0.00 H new ATOM 590 N TRP A 116 -6.398 -8.568 5.136 1.00 0.00 N ATOM 591 CA TRP A 116 -5.134 -8.316 5.820 1.00 0.00 C ATOM 592 C TRP A 116 -4.259 -9.565 5.824 1.00 0.00 C ATOM 593 O TRP A 116 -3.085 -9.511 5.461 1.00 0.00 O ATOM 594 CB TRP A 116 -5.390 -7.852 7.254 1.00 0.00 C ATOM 595 CG TRP A 116 -5.771 -6.406 7.352 1.00 0.00 C ATOM 596 CD1 TRP A 116 -6.994 -5.901 7.691 1.00 0.00 C ATOM 597 CD2 TRP A 116 -4.924 -5.278 7.106 1.00 0.00 C ATOM 598 NE1 TRP A 116 -6.958 -4.528 7.671 1.00 0.00 N ATOM 599 CE2 TRP A 116 -5.699 -4.121 7.316 1.00 0.00 C ATOM 600 CE3 TRP A 116 -3.585 -5.133 6.732 1.00 0.00 C ATOM 601 CZ2 TRP A 116 -5.179 -2.839 7.162 1.00 0.00 C ATOM 602 CZ3 TRP A 116 -3.070 -3.860 6.578 1.00 0.00 C ATOM 603 CH2 TRP A 116 -3.865 -2.726 6.794 1.00 0.00 C ATOM 0 H TRP A 116 -7.218 -8.196 5.615 1.00 0.00 H new ATOM 0 HA TRP A 116 -4.608 -7.529 5.280 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -6.184 -8.460 7.688 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -4.494 -8.025 7.850 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -7.862 -6.494 7.938 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -7.742 -3.911 7.886 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -2.964 -6.001 6.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -5.790 -1.964 7.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -2.037 -3.737 6.286 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -3.433 -1.744 6.668 1.00 0.00 H new ATOM 614 N GLU A 117 -4.839 -10.687 6.237 1.00 0.00 N ATOM 615 CA GLU A 117 -4.110 -11.949 6.289 1.00 0.00 C ATOM 616 C GLU A 117 -3.457 -12.255 4.944 1.00 0.00 C ATOM 617 O GLU A 117 -2.275 -12.590 4.880 1.00 0.00 O ATOM 618 CB GLU A 117 -5.050 -13.090 6.684 1.00 0.00 C ATOM 619 CG GLU A 117 -5.352 -13.143 8.172 1.00 0.00 C ATOM 620 CD GLU A 117 -5.854 -14.502 8.618 1.00 0.00 C ATOM 621 OE1 GLU A 117 -5.248 -15.519 8.220 1.00 0.00 O ATOM 622 OE2 GLU A 117 -6.853 -14.549 9.366 1.00 0.00 O ATOM 0 H GLU A 117 -5.811 -10.748 6.540 1.00 0.00 H new ATOM 0 HA GLU A 117 -3.327 -11.857 7.041 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -5.986 -12.985 6.136 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -4.606 -14.037 6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -4.451 -12.892 8.731 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -6.099 -12.387 8.414 1.00 0.00 H new ATOM 629 N GLN A 118 -4.236 -12.138 3.874 1.00 0.00 N ATOM 630 CA GLN A 118 -3.734 -12.404 2.531 1.00 0.00 C ATOM 631 C GLN A 118 -2.526 -11.526 2.218 1.00 0.00 C ATOM 632 O GLN A 118 -1.552 -11.985 1.622 1.00 0.00 O ATOM 633 CB GLN A 118 -4.835 -12.165 1.496 1.00 0.00 C ATOM 634 CG GLN A 118 -5.881 -13.266 1.456 1.00 0.00 C ATOM 635 CD GLN A 118 -7.002 -12.971 0.478 1.00 0.00 C ATOM 636 OE1 GLN A 118 -6.771 -12.431 -0.604 1.00 0.00 O ATOM 637 NE2 GLN A 118 -8.225 -13.325 0.855 1.00 0.00 N ATOM 0 H GLN A 118 -5.217 -11.861 3.911 1.00 0.00 H new ATOM 0 HA GLN A 118 -3.423 -13.448 2.486 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -5.326 -11.216 1.713 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -4.381 -12.071 0.510 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -5.403 -14.206 1.182 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -6.300 -13.400 2.453 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -8.371 -13.770 1.761 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -9.019 -13.152 0.239 1.00 0.00 H new ATOM 646 N ILE A 119 -2.598 -10.263 2.624 1.00 0.00 N ATOM 647 CA ILE A 119 -1.510 -9.322 2.387 1.00 0.00 C ATOM 648 C ILE A 119 -0.265 -9.712 3.176 1.00 0.00 C ATOM 649 O ILE A 119 0.775 -10.028 2.598 1.00 0.00 O ATOM 650 CB ILE A 119 -1.916 -7.886 2.765 1.00 0.00 C ATOM 651 CG1 ILE A 119 -3.102 -7.426 1.915 1.00 0.00 C ATOM 652 CG2 ILE A 119 -0.736 -6.940 2.594 1.00 0.00 C ATOM 653 CD1 ILE A 119 -3.793 -6.195 2.458 1.00 0.00 C ATOM 0 H ILE A 119 -3.398 -9.868 3.118 1.00 0.00 H new ATOM 0 HA ILE A 119 -1.287 -9.358 1.321 1.00 0.00 H new ATOM 0 HB ILE A 119 -2.218 -7.874 3.812 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -2.755 -7.221 0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -3.826 -8.238 1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.038 -5.928 2.865 1.00 0.00 H new ATOM 0 HG22 ILE A 119 0.083 -7.259 3.239 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.406 -6.954 1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -4.624 -5.926 1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -4.171 -6.402 3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -3.083 -5.369 2.501 1.00 0.00 H new ATOM 665 N SER A 120 -0.379 -9.689 4.500 1.00 0.00 N ATOM 666 CA SER A 120 0.738 -10.038 5.370 1.00 0.00 C ATOM 667 C SER A 120 1.588 -11.141 4.746 1.00 0.00 C ATOM 668 O SER A 120 2.808 -11.014 4.639 1.00 0.00 O ATOM 669 CB SER A 120 0.225 -10.487 6.740 1.00 0.00 C ATOM 670 OG SER A 120 -0.577 -11.649 6.628 1.00 0.00 O ATOM 0 H SER A 120 -1.234 -9.432 4.994 1.00 0.00 H new ATOM 0 HA SER A 120 1.359 -9.151 5.496 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.069 -10.686 7.400 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.354 -9.684 7.196 1.00 0.00 H new ATOM 0 HG SER A 120 -1.190 -11.551 5.870 1.00 0.00 H new ATOM 676 N SER A 121 0.934 -12.223 4.337 1.00 0.00 N ATOM 677 CA SER A 121 1.629 -13.351 3.728 1.00 0.00 C ATOM 678 C SER A 121 2.346 -12.922 2.451 1.00 0.00 C ATOM 679 O SER A 121 3.526 -13.218 2.258 1.00 0.00 O ATOM 680 CB SER A 121 0.642 -14.478 3.417 1.00 0.00 C ATOM 681 OG SER A 121 -0.331 -14.058 2.476 1.00 0.00 O ATOM 0 H SER A 121 -0.076 -12.343 4.416 1.00 0.00 H new ATOM 0 HA SER A 121 2.372 -13.714 4.438 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.182 -15.341 3.027 1.00 0.00 H new ATOM 0 HB3 SER A 121 0.150 -14.799 4.335 1.00 0.00 H new ATOM 0 HG SER A 121 -0.564 -13.121 2.642 1.00 0.00 H new ATOM 687 N LYS A 122 1.626 -12.222 1.582 1.00 0.00 N ATOM 688 CA LYS A 122 2.191 -11.750 0.323 1.00 0.00 C ATOM 689 C LYS A 122 3.450 -10.925 0.568 1.00 0.00 C ATOM 690 O LYS A 122 4.532 -11.272 0.096 1.00 0.00 O ATOM 691 CB LYS A 122 1.161 -10.914 -0.440 1.00 0.00 C ATOM 692 CG LYS A 122 0.083 -11.744 -1.114 1.00 0.00 C ATOM 693 CD LYS A 122 -0.449 -11.061 -2.363 1.00 0.00 C ATOM 694 CE LYS A 122 -1.419 -9.942 -2.016 1.00 0.00 C ATOM 695 NZ LYS A 122 -1.510 -8.929 -3.104 1.00 0.00 N ATOM 0 H LYS A 122 0.649 -11.968 1.726 1.00 0.00 H new ATOM 0 HA LYS A 122 2.459 -12.621 -0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 122 0.690 -10.214 0.250 1.00 0.00 H new ATOM 0 HB3 LYS A 122 1.675 -10.320 -1.195 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.487 -12.722 -1.377 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.736 -11.915 -0.415 1.00 0.00 H new ATOM 0 HD2 LYS A 122 0.383 -10.657 -2.940 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.949 -11.795 -2.995 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -2.407 -10.363 -1.828 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -1.099 -9.457 -1.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -2.181 -8.183 -2.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -0.573 -8.509 -3.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -1.840 -9.387 -3.978 1.00 0.00 H new ATOM 709 N MET A 123 3.302 -9.833 1.311 1.00 0.00 N ATOM 710 CA MET A 123 4.429 -8.961 1.620 1.00 0.00 C ATOM 711 C MET A 123 5.529 -9.730 2.345 1.00 0.00 C ATOM 712 O MET A 123 6.709 -9.399 2.231 1.00 0.00 O ATOM 713 CB MET A 123 3.967 -7.780 2.477 1.00 0.00 C ATOM 714 CG MET A 123 3.307 -8.197 3.781 1.00 0.00 C ATOM 715 SD MET A 123 3.381 -6.908 5.040 1.00 0.00 S ATOM 716 CE MET A 123 5.131 -6.524 5.028 1.00 0.00 C ATOM 0 H MET A 123 2.413 -9.531 1.710 1.00 0.00 H new ATOM 0 HA MET A 123 4.833 -8.584 0.680 1.00 0.00 H new ATOM 0 HB2 MET A 123 4.825 -7.146 2.700 1.00 0.00 H new ATOM 0 HB3 MET A 123 3.266 -7.176 1.901 1.00 0.00 H new ATOM 0 HG2 MET A 123 2.265 -8.454 3.590 1.00 0.00 H new ATOM 0 HG3 MET A 123 3.793 -9.097 4.158 1.00 0.00 H new ATOM 0 HE1 MET A 123 5.384 -5.949 5.919 1.00 0.00 H new ATOM 0 HE2 MET A 123 5.707 -7.450 5.018 1.00 0.00 H new ATOM 0 HE3 MET A 123 5.369 -5.939 4.140 1.00 0.00 H new ATOM 726 N ARG A 124 5.134 -10.758 3.089 1.00 0.00 N ATOM 727 CA ARG A 124 6.087 -11.573 3.833 1.00 0.00 C ATOM 728 C ARG A 124 6.993 -12.352 2.884 1.00 0.00 C ATOM 729 O ARG A 124 8.215 -12.335 3.024 1.00 0.00 O ATOM 730 CB ARG A 124 5.349 -12.540 4.760 1.00 0.00 C ATOM 731 CG ARG A 124 6.269 -13.315 5.689 1.00 0.00 C ATOM 732 CD ARG A 124 6.486 -12.578 7.001 1.00 0.00 C ATOM 733 NE ARG A 124 5.268 -12.522 7.805 1.00 0.00 N ATOM 734 CZ ARG A 124 4.742 -13.578 8.416 1.00 0.00 C ATOM 735 NH1 ARG A 124 5.324 -14.765 8.315 1.00 0.00 N ATOM 736 NH2 ARG A 124 3.631 -13.448 9.131 1.00 0.00 N ATOM 0 H ARG A 124 4.161 -11.046 3.193 1.00 0.00 H new ATOM 0 HA ARG A 124 6.706 -10.907 4.434 1.00 0.00 H new ATOM 0 HB2 ARG A 124 4.631 -11.979 5.358 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.779 -13.245 4.156 1.00 0.00 H new ATOM 0 HG2 ARG A 124 5.842 -14.298 5.889 1.00 0.00 H new ATOM 0 HG3 ARG A 124 7.229 -13.478 5.199 1.00 0.00 H new ATOM 0 HD2 ARG A 124 7.273 -13.074 7.569 1.00 0.00 H new ATOM 0 HD3 ARG A 124 6.831 -11.565 6.795 1.00 0.00 H new ATOM 0 HE ARG A 124 4.796 -11.623 7.903 1.00 0.00 H new ATOM 0 HH11 ARG A 124 6.178 -14.869 7.767 1.00 0.00 H new ATOM 0 HH12 ARG A 124 4.918 -15.574 8.785 1.00 0.00 H new ATOM 0 HH21 ARG A 124 3.180 -12.537 9.212 1.00 0.00 H new ATOM 0 HH22 ARG A 124 3.228 -14.260 9.600 1.00 0.00 H new ATOM 750 N GLU A 125 6.384 -13.034 1.920 1.00 0.00 N ATOM 751 CA GLU A 125 7.136 -13.821 0.949 1.00 0.00 C ATOM 752 C GLU A 125 8.254 -12.990 0.325 1.00 0.00 C ATOM 753 O GLU A 125 9.372 -13.472 0.140 1.00 0.00 O ATOM 754 CB GLU A 125 6.205 -14.348 -0.145 1.00 0.00 C ATOM 755 CG GLU A 125 5.277 -15.455 0.326 1.00 0.00 C ATOM 756 CD GLU A 125 6.005 -16.765 0.561 1.00 0.00 C ATOM 757 OE1 GLU A 125 6.927 -16.788 1.403 1.00 0.00 O ATOM 758 OE2 GLU A 125 5.652 -17.766 -0.097 1.00 0.00 O ATOM 0 H GLU A 125 5.373 -13.058 1.790 1.00 0.00 H new ATOM 0 HA GLU A 125 7.583 -14.666 1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 125 5.606 -13.522 -0.529 1.00 0.00 H new ATOM 0 HB3 GLU A 125 6.807 -14.719 -0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 125 4.787 -15.145 1.249 1.00 0.00 H new ATOM 0 HG3 GLU A 125 4.493 -15.607 -0.416 1.00 0.00 H new ATOM 765 N LYS A 126 7.944 -11.739 0.002 1.00 0.00 N ATOM 766 CA LYS A 126 8.920 -10.840 -0.601 1.00 0.00 C ATOM 767 C LYS A 126 10.259 -10.924 0.126 1.00 0.00 C ATOM 768 O LYS A 126 11.315 -10.728 -0.474 1.00 0.00 O ATOM 769 CB LYS A 126 8.402 -9.400 -0.573 1.00 0.00 C ATOM 770 CG LYS A 126 7.060 -9.222 -1.261 1.00 0.00 C ATOM 771 CD LYS A 126 7.194 -9.300 -2.773 1.00 0.00 C ATOM 772 CE LYS A 126 7.790 -8.023 -3.346 1.00 0.00 C ATOM 773 NZ LYS A 126 7.499 -7.879 -4.799 1.00 0.00 N ATOM 0 H LYS A 126 7.023 -11.325 0.148 1.00 0.00 H new ATOM 0 HA LYS A 126 9.069 -11.147 -1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 126 8.315 -9.074 0.464 1.00 0.00 H new ATOM 0 HB3 LYS A 126 9.135 -8.750 -1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 126 6.368 -9.991 -0.916 1.00 0.00 H new ATOM 0 HG3 LYS A 126 6.632 -8.259 -0.982 1.00 0.00 H new ATOM 0 HD2 LYS A 126 7.824 -10.149 -3.040 1.00 0.00 H new ATOM 0 HD3 LYS A 126 6.215 -9.477 -3.218 1.00 0.00 H new ATOM 0 HE2 LYS A 126 7.391 -7.163 -2.809 1.00 0.00 H new ATOM 0 HE3 LYS A 126 8.869 -8.024 -3.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 7.922 -6.997 -5.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 7.902 -8.687 -5.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 6.470 -7.853 -4.946 1.00 0.00 H new ATOM 787 N GLY A 127 10.207 -11.219 1.421 1.00 0.00 N ATOM 788 CA GLY A 127 11.422 -11.326 2.207 1.00 0.00 C ATOM 789 C GLY A 127 11.453 -10.346 3.363 1.00 0.00 C ATOM 790 O GLY A 127 12.485 -9.733 3.639 1.00 0.00 O ATOM 0 H GLY A 127 9.345 -11.386 1.940 1.00 0.00 H new ATOM 0 HA2 GLY A 127 11.513 -12.341 2.593 1.00 0.00 H new ATOM 0 HA3 GLY A 127 12.284 -11.151 1.563 1.00 0.00 H new ATOM 794 N PHE A 128 10.319 -10.195 4.039 1.00 0.00 N ATOM 795 CA PHE A 128 10.220 -9.280 5.170 1.00 0.00 C ATOM 796 C PHE A 128 9.357 -9.877 6.278 1.00 0.00 C ATOM 797 O PHE A 128 8.132 -9.924 6.169 1.00 0.00 O ATOM 798 CB PHE A 128 9.635 -7.940 4.719 1.00 0.00 C ATOM 799 CG PHE A 128 10.266 -7.401 3.467 1.00 0.00 C ATOM 800 CD1 PHE A 128 11.453 -6.689 3.525 1.00 0.00 C ATOM 801 CD2 PHE A 128 9.672 -7.607 2.232 1.00 0.00 C ATOM 802 CE1 PHE A 128 12.036 -6.192 2.374 1.00 0.00 C ATOM 803 CE2 PHE A 128 10.250 -7.112 1.078 1.00 0.00 C ATOM 804 CZ PHE A 128 11.434 -6.405 1.149 1.00 0.00 C ATOM 0 H PHE A 128 9.456 -10.694 3.823 1.00 0.00 H new ATOM 0 HA PHE A 128 11.224 -9.117 5.563 1.00 0.00 H new ATOM 0 HB2 PHE A 128 8.564 -8.057 4.555 1.00 0.00 H new ATOM 0 HB3 PHE A 128 9.757 -7.211 5.520 1.00 0.00 H new ATOM 0 HD1 PHE A 128 11.928 -6.520 4.480 1.00 0.00 H new ATOM 0 HD2 PHE A 128 8.747 -8.161 2.170 1.00 0.00 H new ATOM 0 HE1 PHE A 128 12.961 -5.638 2.433 1.00 0.00 H new ATOM 0 HE2 PHE A 128 9.776 -7.278 0.122 1.00 0.00 H new ATOM 0 HZ PHE A 128 11.889 -6.019 0.248 1.00 0.00 H new ATOM 814 N ASP A 129 10.007 -10.331 7.344 1.00 0.00 N ATOM 815 CA ASP A 129 9.300 -10.925 8.474 1.00 0.00 C ATOM 816 C ASP A 129 8.430 -9.888 9.177 1.00 0.00 C ATOM 817 O ASP A 129 8.939 -8.970 9.820 1.00 0.00 O ATOM 818 CB ASP A 129 10.296 -11.529 9.465 1.00 0.00 C ATOM 819 CG ASP A 129 9.666 -12.592 10.343 1.00 0.00 C ATOM 820 OD1 ASP A 129 8.492 -12.421 10.733 1.00 0.00 O ATOM 821 OD2 ASP A 129 10.348 -13.595 10.641 1.00 0.00 O ATOM 0 H ASP A 129 11.021 -10.299 7.450 1.00 0.00 H new ATOM 0 HA ASP A 129 8.654 -11.716 8.092 1.00 0.00 H new ATOM 0 HB2 ASP A 129 11.132 -11.963 8.917 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.704 -10.738 10.094 1.00 0.00 H new ATOM 826 N ARG A 130 7.116 -10.040 9.048 1.00 0.00 N ATOM 827 CA ARG A 130 6.175 -9.115 9.668 1.00 0.00 C ATOM 828 C ARG A 130 4.939 -9.854 10.172 1.00 0.00 C ATOM 829 O ARG A 130 4.641 -10.962 9.726 1.00 0.00 O ATOM 830 CB ARG A 130 5.763 -8.029 8.673 1.00 0.00 C ATOM 831 CG ARG A 130 6.711 -6.841 8.641 1.00 0.00 C ATOM 832 CD ARG A 130 6.298 -5.772 9.640 1.00 0.00 C ATOM 833 NE ARG A 130 6.823 -6.039 10.976 1.00 0.00 N ATOM 834 CZ ARG A 130 8.114 -5.981 11.284 1.00 0.00 C ATOM 835 NH1 ARG A 130 9.006 -5.667 10.355 1.00 0.00 N ATOM 836 NH2 ARG A 130 8.514 -6.238 12.522 1.00 0.00 N ATOM 0 H ARG A 130 6.679 -10.795 8.520 1.00 0.00 H new ATOM 0 HA ARG A 130 6.671 -8.648 10.519 1.00 0.00 H new ATOM 0 HB2 ARG A 130 5.706 -8.465 7.675 1.00 0.00 H new ATOM 0 HB3 ARG A 130 4.762 -7.678 8.925 1.00 0.00 H new ATOM 0 HG2 ARG A 130 7.724 -7.176 8.863 1.00 0.00 H new ATOM 0 HG3 ARG A 130 6.729 -6.415 7.638 1.00 0.00 H new ATOM 0 HD2 ARG A 130 6.654 -4.800 9.298 1.00 0.00 H new ATOM 0 HD3 ARG A 130 5.210 -5.716 9.682 1.00 0.00 H new ATOM 0 HE ARG A 130 6.162 -6.284 11.713 1.00 0.00 H new ATOM 0 HH11 ARG A 130 8.702 -5.469 9.402 1.00 0.00 H new ATOM 0 HH12 ARG A 130 9.997 -5.623 10.593 1.00 0.00 H new ATOM 0 HH21 ARG A 130 7.830 -6.481 13.239 1.00 0.00 H new ATOM 0 HH22 ARG A 130 9.505 -6.193 12.757 1.00 0.00 H new ATOM 850 N SER A 131 4.224 -9.233 11.105 1.00 0.00 N ATOM 851 CA SER A 131 3.022 -9.834 11.673 1.00 0.00 C ATOM 852 C SER A 131 1.770 -9.118 11.176 1.00 0.00 C ATOM 853 O SER A 131 1.822 -7.987 10.691 1.00 0.00 O ATOM 854 CB SER A 131 3.077 -9.788 13.201 1.00 0.00 C ATOM 855 OG SER A 131 3.693 -10.952 13.725 1.00 0.00 O ATOM 0 H SER A 131 4.456 -8.315 11.484 1.00 0.00 H new ATOM 0 HA SER A 131 2.977 -10.874 11.349 1.00 0.00 H new ATOM 0 HB2 SER A 131 3.630 -8.905 13.522 1.00 0.00 H new ATOM 0 HB3 SER A 131 2.068 -9.695 13.602 1.00 0.00 H new ATOM 0 HG SER A 131 3.717 -10.897 14.703 1.00 0.00 H new ATOM 861 N PRO A 132 0.617 -9.791 11.298 1.00 0.00 N ATOM 862 CA PRO A 132 -0.671 -9.239 10.868 1.00 0.00 C ATOM 863 C PRO A 132 -1.135 -8.089 11.755 1.00 0.00 C ATOM 864 O PRO A 132 -1.673 -7.094 11.268 1.00 0.00 O ATOM 865 CB PRO A 132 -1.626 -10.429 10.993 1.00 0.00 C ATOM 866 CG PRO A 132 -1.005 -11.307 12.024 1.00 0.00 C ATOM 867 CD PRO A 132 0.481 -11.142 11.867 1.00 0.00 C ATOM 0 HA PRO A 132 -0.619 -8.819 9.863 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -2.622 -10.107 11.296 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -1.735 -10.951 10.042 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -1.326 -11.020 13.025 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -1.300 -12.347 11.880 1.00 0.00 H new ATOM 0 HD2 PRO A 132 0.998 -11.229 12.823 1.00 0.00 H new ATOM 0 HD3 PRO A 132 0.902 -11.900 11.207 1.00 0.00 H new ATOM 875 N ASP A 133 -0.923 -8.231 13.059 1.00 0.00 N ATOM 876 CA ASP A 133 -1.318 -7.202 14.014 1.00 0.00 C ATOM 877 C ASP A 133 -0.587 -5.893 13.735 1.00 0.00 C ATOM 878 O ASP A 133 -1.077 -4.814 14.069 1.00 0.00 O ATOM 879 CB ASP A 133 -1.031 -7.666 15.443 1.00 0.00 C ATOM 880 CG ASP A 133 -1.905 -8.833 15.859 1.00 0.00 C ATOM 881 OD1 ASP A 133 -3.129 -8.773 15.620 1.00 0.00 O ATOM 882 OD2 ASP A 133 -1.365 -9.807 16.426 1.00 0.00 O ATOM 0 H ASP A 133 -0.480 -9.048 13.479 1.00 0.00 H new ATOM 0 HA ASP A 133 -2.389 -7.030 13.904 1.00 0.00 H new ATOM 0 HB2 ASP A 133 0.017 -7.953 15.525 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -1.188 -6.835 16.130 1.00 0.00 H new ATOM 887 N MET A 134 0.587 -5.995 13.122 1.00 0.00 N ATOM 888 CA MET A 134 1.385 -4.818 12.798 1.00 0.00 C ATOM 889 C MET A 134 0.744 -4.021 11.667 1.00 0.00 C ATOM 890 O MET A 134 0.270 -2.903 11.874 1.00 0.00 O ATOM 891 CB MET A 134 2.805 -5.230 12.406 1.00 0.00 C ATOM 892 CG MET A 134 3.587 -5.874 13.540 1.00 0.00 C ATOM 893 SD MET A 134 3.845 -4.752 14.929 1.00 0.00 S ATOM 894 CE MET A 134 5.565 -4.312 14.692 1.00 0.00 C ATOM 0 H MET A 134 1.007 -6.880 12.839 1.00 0.00 H new ATOM 0 HA MET A 134 1.430 -4.185 13.684 1.00 0.00 H new ATOM 0 HB2 MET A 134 2.754 -5.927 11.569 1.00 0.00 H new ATOM 0 HB3 MET A 134 3.346 -4.351 12.056 1.00 0.00 H new ATOM 0 HG2 MET A 134 3.054 -6.759 13.887 1.00 0.00 H new ATOM 0 HG3 MET A 134 4.554 -6.210 13.165 1.00 0.00 H new ATOM 0 HE1 MET A 134 5.875 -3.620 15.475 1.00 0.00 H new ATOM 0 HE2 MET A 134 6.180 -5.211 14.737 1.00 0.00 H new ATOM 0 HE3 MET A 134 5.688 -3.837 13.719 1.00 0.00 H new ATOM 904 N CYS A 135 0.733 -4.602 10.472 1.00 0.00 N ATOM 905 CA CYS A 135 0.150 -3.945 9.308 1.00 0.00 C ATOM 906 C CYS A 135 -1.166 -3.265 9.669 1.00 0.00 C ATOM 907 O CYS A 135 -1.429 -2.135 9.255 1.00 0.00 O ATOM 908 CB CYS A 135 -0.076 -4.958 8.185 1.00 0.00 C ATOM 909 SG CYS A 135 -1.218 -6.292 8.613 1.00 0.00 S ATOM 0 H CYS A 135 1.121 -5.526 10.284 1.00 0.00 H new ATOM 0 HA CYS A 135 0.849 -3.182 8.964 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -0.458 -4.434 7.309 1.00 0.00 H new ATOM 0 HB3 CYS A 135 0.883 -5.392 7.903 1.00 0.00 H new ATOM 0 HG CYS A 135 -1.140 -6.538 9.887 1.00 0.00 H new ATOM 915 N THR A 136 -1.993 -3.962 10.443 1.00 0.00 N ATOM 916 CA THR A 136 -3.284 -3.427 10.858 1.00 0.00 C ATOM 917 C THR A 136 -3.118 -2.118 11.621 1.00 0.00 C ATOM 918 O THR A 136 -3.712 -1.101 11.263 1.00 0.00 O ATOM 919 CB THR A 136 -4.049 -4.430 11.742 1.00 0.00 C ATOM 920 OG1 THR A 136 -4.252 -5.656 11.031 1.00 0.00 O ATOM 921 CG2 THR A 136 -5.392 -3.858 12.171 1.00 0.00 C ATOM 0 H THR A 136 -1.791 -4.898 10.795 1.00 0.00 H new ATOM 0 HA THR A 136 -3.857 -3.244 9.949 1.00 0.00 H new ATOM 0 HB THR A 136 -3.452 -4.623 12.633 1.00 0.00 H new ATOM 0 HG1 THR A 136 -3.432 -6.192 11.063 1.00 0.00 H new ATOM 0 HG21 THR A 136 -5.914 -4.584 12.794 1.00 0.00 H new ATOM 0 HG22 THR A 136 -5.232 -2.941 12.738 1.00 0.00 H new ATOM 0 HG23 THR A 136 -5.993 -3.639 11.288 1.00 0.00 H new ATOM 929 N ASP A 137 -2.306 -2.150 12.672 1.00 0.00 N ATOM 930 CA ASP A 137 -2.060 -0.964 13.484 1.00 0.00 C ATOM 931 C ASP A 137 -1.350 0.114 12.671 1.00 0.00 C ATOM 932 O ASP A 137 -1.848 1.231 12.532 1.00 0.00 O ATOM 933 CB ASP A 137 -1.225 -1.327 14.713 1.00 0.00 C ATOM 934 CG ASP A 137 -1.501 -0.413 15.891 1.00 0.00 C ATOM 935 OD1 ASP A 137 -2.688 -0.122 16.151 1.00 0.00 O ATOM 936 OD2 ASP A 137 -0.531 0.011 16.553 1.00 0.00 O ATOM 0 H ASP A 137 -1.807 -2.984 12.982 1.00 0.00 H new ATOM 0 HA ASP A 137 -3.023 -0.571 13.811 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -1.435 -2.358 15.000 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -0.167 -1.276 14.458 1.00 0.00 H new ATOM 941 N LYS A 138 -0.183 -0.228 12.137 1.00 0.00 N ATOM 942 CA LYS A 138 0.597 0.709 11.338 1.00 0.00 C ATOM 943 C LYS A 138 -0.296 1.464 10.359 1.00 0.00 C ATOM 944 O LYS A 138 -0.411 2.688 10.426 1.00 0.00 O ATOM 945 CB LYS A 138 1.697 -0.032 10.573 1.00 0.00 C ATOM 946 CG LYS A 138 2.420 0.833 9.556 1.00 0.00 C ATOM 947 CD LYS A 138 3.616 1.538 10.173 1.00 0.00 C ATOM 948 CE LYS A 138 4.500 2.171 9.110 1.00 0.00 C ATOM 949 NZ LYS A 138 5.066 1.153 8.182 1.00 0.00 N ATOM 0 H LYS A 138 0.244 -1.148 12.243 1.00 0.00 H new ATOM 0 HA LYS A 138 1.056 1.430 12.015 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.423 -0.423 11.286 1.00 0.00 H new ATOM 0 HB3 LYS A 138 1.258 -0.889 10.062 1.00 0.00 H new ATOM 0 HG2 LYS A 138 2.752 0.215 8.722 1.00 0.00 H new ATOM 0 HG3 LYS A 138 1.730 1.573 9.150 1.00 0.00 H new ATOM 0 HD2 LYS A 138 3.270 2.306 10.864 1.00 0.00 H new ATOM 0 HD3 LYS A 138 4.199 0.825 10.755 1.00 0.00 H new ATOM 0 HE2 LYS A 138 3.920 2.898 8.542 1.00 0.00 H new ATOM 0 HE3 LYS A 138 5.312 2.716 9.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 5.848 1.573 7.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 5.420 0.343 8.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 4.326 0.831 7.527 1.00 0.00 H new ATOM 963 N TRP A 139 -0.927 0.727 9.452 1.00 0.00 N ATOM 964 CA TRP A 139 -1.812 1.328 8.460 1.00 0.00 C ATOM 965 C TRP A 139 -2.732 2.359 9.105 1.00 0.00 C ATOM 966 O TRP A 139 -2.810 3.502 8.656 1.00 0.00 O ATOM 967 CB TRP A 139 -2.642 0.248 7.766 1.00 0.00 C ATOM 968 CG TRP A 139 -3.508 0.780 6.665 1.00 0.00 C ATOM 969 CD1 TRP A 139 -4.840 1.072 6.738 1.00 0.00 C ATOM 970 CD2 TRP A 139 -3.102 1.082 5.325 1.00 0.00 C ATOM 971 NE1 TRP A 139 -5.287 1.537 5.524 1.00 0.00 N ATOM 972 CE2 TRP A 139 -4.240 1.553 4.641 1.00 0.00 C ATOM 973 CE3 TRP A 139 -1.888 1.002 4.638 1.00 0.00 C ATOM 974 CZ2 TRP A 139 -4.197 1.941 3.305 1.00 0.00 C ATOM 975 CZ3 TRP A 139 -1.848 1.387 3.311 1.00 0.00 C ATOM 976 CH2 TRP A 139 -2.996 1.852 2.656 1.00 0.00 C ATOM 0 H TRP A 139 -0.843 -0.287 9.383 1.00 0.00 H new ATOM 0 HA TRP A 139 -1.195 1.834 7.718 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -1.972 -0.509 7.358 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -3.271 -0.248 8.505 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -5.452 0.955 7.620 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -6.243 1.824 5.315 1.00 0.00 H new ATOM 0 HE3 TRP A 139 -0.997 0.646 5.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -5.081 2.300 2.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -0.915 1.328 2.770 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.932 2.146 1.619 1.00 0.00 H new ATOM 987 N ARG A 140 -3.427 1.947 10.160 1.00 0.00 N ATOM 988 CA ARG A 140 -4.343 2.835 10.866 1.00 0.00 C ATOM 989 C ARG A 140 -3.658 4.151 11.222 1.00 0.00 C ATOM 990 O ARG A 140 -4.192 5.229 10.965 1.00 0.00 O ATOM 991 CB ARG A 140 -4.865 2.159 12.135 1.00 0.00 C ATOM 992 CG ARG A 140 -6.056 1.246 11.894 1.00 0.00 C ATOM 993 CD ARG A 140 -6.954 1.166 13.117 1.00 0.00 C ATOM 994 NE ARG A 140 -8.166 0.393 12.858 1.00 0.00 N ATOM 995 CZ ARG A 140 -9.149 0.249 13.739 1.00 0.00 C ATOM 996 NH1 ARG A 140 -9.064 0.822 14.932 1.00 0.00 N ATOM 997 NH2 ARG A 140 -10.220 -0.470 13.429 1.00 0.00 N ATOM 0 H ARG A 140 -3.373 1.004 10.545 1.00 0.00 H new ATOM 0 HA ARG A 140 -5.183 3.050 10.205 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -4.059 1.579 12.585 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -5.147 2.927 12.856 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -6.630 1.613 11.043 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -5.704 0.248 11.634 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -6.404 0.712 13.941 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -7.227 2.173 13.432 1.00 0.00 H new ATOM 0 HE ARG A 140 -8.263 -0.061 11.950 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -8.242 1.375 15.175 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -9.821 0.710 15.607 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -10.289 -0.913 12.513 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -10.974 -0.580 14.107 1.00 0.00 H new ATOM 1011 N ASN A 141 -2.473 4.053 11.816 1.00 0.00 N ATOM 1012 CA ASN A 141 -1.715 5.236 12.208 1.00 0.00 C ATOM 1013 C ASN A 141 -1.378 6.094 10.993 1.00 0.00 C ATOM 1014 O ASN A 141 -1.502 7.319 11.030 1.00 0.00 O ATOM 1015 CB ASN A 141 -0.430 4.827 12.930 1.00 0.00 C ATOM 1016 CG ASN A 141 0.040 5.881 13.915 1.00 0.00 C ATOM 1017 OD1 ASN A 141 -0.659 6.205 14.875 1.00 0.00 O ATOM 1018 ND2 ASN A 141 1.231 6.420 13.680 1.00 0.00 N ATOM 0 H ASN A 141 -2.017 3.168 12.036 1.00 0.00 H new ATOM 0 HA ASN A 141 -2.333 5.825 12.886 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -0.596 3.888 13.458 1.00 0.00 H new ATOM 0 HB3 ASN A 141 0.354 4.645 12.195 1.00 0.00 H new ATOM 0 HD21 ASN A 141 1.601 7.133 14.308 1.00 0.00 H new ATOM 0 HD22 ASN A 141 1.776 6.120 12.871 1.00 0.00 H new ATOM 1025 N LEU A 142 -0.952 5.444 9.916 1.00 0.00 N ATOM 1026 CA LEU A 142 -0.597 6.146 8.688 1.00 0.00 C ATOM 1027 C LEU A 142 -1.697 7.123 8.282 1.00 0.00 C ATOM 1028 O LEU A 142 -1.432 8.295 8.013 1.00 0.00 O ATOM 1029 CB LEU A 142 -0.346 5.146 7.558 1.00 0.00 C ATOM 1030 CG LEU A 142 0.872 4.236 7.726 1.00 0.00 C ATOM 1031 CD1 LEU A 142 0.749 3.010 6.835 1.00 0.00 C ATOM 1032 CD2 LEU A 142 2.152 4.997 7.416 1.00 0.00 C ATOM 0 H LEU A 142 -0.844 4.431 9.868 1.00 0.00 H new ATOM 0 HA LEU A 142 0.316 6.711 8.874 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -1.231 4.519 7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -0.234 5.701 6.627 1.00 0.00 H new ATOM 0 HG LEU A 142 0.913 3.903 8.763 1.00 0.00 H new ATOM 0 HD11 LEU A 142 1.624 2.374 6.968 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.148 2.453 7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 142 0.683 3.323 5.793 1.00 0.00 H new ATOM 0 HD21 LEU A 142 3.008 4.334 7.541 1.00 0.00 H new ATOM 0 HD22 LEU A 142 2.120 5.359 6.389 1.00 0.00 H new ATOM 0 HD23 LEU A 142 2.246 5.843 8.096 1.00 0.00 H new ATOM 1044 N LEU A 143 -2.931 6.632 8.243 1.00 0.00 N ATOM 1045 CA LEU A 143 -4.072 7.462 7.873 1.00 0.00 C ATOM 1046 C LEU A 143 -4.221 8.641 8.829 1.00 0.00 C ATOM 1047 O LEU A 143 -4.388 9.784 8.402 1.00 0.00 O ATOM 1048 CB LEU A 143 -5.354 6.628 7.870 1.00 0.00 C ATOM 1049 CG LEU A 143 -5.397 5.466 6.877 1.00 0.00 C ATOM 1050 CD1 LEU A 143 -6.507 4.493 7.241 1.00 0.00 C ATOM 1051 CD2 LEU A 143 -5.584 5.984 5.458 1.00 0.00 C ATOM 0 H LEU A 143 -3.167 5.664 8.463 1.00 0.00 H new ATOM 0 HA LEU A 143 -3.897 7.852 6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -5.506 6.228 8.873 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -6.194 7.290 7.660 1.00 0.00 H new ATOM 0 HG LEU A 143 -4.446 4.935 6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -6.522 3.673 6.523 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -6.330 4.097 8.241 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -7.466 5.011 7.220 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -5.612 5.143 4.765 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -6.520 6.539 5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -4.754 6.641 5.198 1.00 0.00 H new ATOM 1063 N LYS A 144 -4.157 8.357 10.125 1.00 0.00 N ATOM 1064 CA LYS A 144 -4.281 9.393 11.144 1.00 0.00 C ATOM 1065 C LYS A 144 -3.396 10.590 10.812 1.00 0.00 C ATOM 1066 O LYS A 144 -3.867 11.726 10.762 1.00 0.00 O ATOM 1067 CB LYS A 144 -3.908 8.833 12.518 1.00 0.00 C ATOM 1068 CG LYS A 144 -4.826 7.720 12.992 1.00 0.00 C ATOM 1069 CD LYS A 144 -6.175 8.260 13.435 1.00 0.00 C ATOM 1070 CE LYS A 144 -6.082 8.951 14.787 1.00 0.00 C ATOM 1071 NZ LYS A 144 -6.102 7.975 15.911 1.00 0.00 N ATOM 0 H LYS A 144 -4.020 7.417 10.495 1.00 0.00 H new ATOM 0 HA LYS A 144 -5.319 9.726 11.165 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -2.885 8.458 12.483 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -3.926 9.642 13.248 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -4.968 6.998 12.188 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -4.357 7.188 13.819 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -6.549 8.963 12.691 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -6.894 7.443 13.491 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -5.165 9.538 14.832 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -6.913 9.648 14.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -6.037 8.485 16.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -6.988 7.432 15.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -5.295 7.325 15.821 1.00 0.00 H new ATOM 1085 N GLU A 145 -2.113 10.327 10.586 1.00 0.00 N ATOM 1086 CA GLU A 145 -1.163 11.384 10.259 1.00 0.00 C ATOM 1087 C GLU A 145 -1.554 12.085 8.961 1.00 0.00 C ATOM 1088 O GLU A 145 -1.572 13.313 8.887 1.00 0.00 O ATOM 1089 CB GLU A 145 0.250 10.810 10.136 1.00 0.00 C ATOM 1090 CG GLU A 145 0.825 10.320 11.454 1.00 0.00 C ATOM 1091 CD GLU A 145 1.032 11.442 12.454 1.00 0.00 C ATOM 1092 OE1 GLU A 145 1.747 12.410 12.120 1.00 0.00 O ATOM 1093 OE2 GLU A 145 0.477 11.352 13.569 1.00 0.00 O ATOM 0 H GLU A 145 -1.708 9.392 10.623 1.00 0.00 H new ATOM 0 HA GLU A 145 -1.181 12.116 11.066 1.00 0.00 H new ATOM 0 HB2 GLU A 145 0.237 9.983 9.426 1.00 0.00 H new ATOM 0 HB3 GLU A 145 0.909 11.574 9.724 1.00 0.00 H new ATOM 0 HG2 GLU A 145 0.155 9.575 11.883 1.00 0.00 H new ATOM 0 HG3 GLU A 145 1.777 9.824 11.268 1.00 0.00 H new ATOM 1100 N PHE A 146 -1.867 11.294 7.940 1.00 0.00 N ATOM 1101 CA PHE A 146 -2.257 11.837 6.644 1.00 0.00 C ATOM 1102 C PHE A 146 -3.380 12.858 6.798 1.00 0.00 C ATOM 1103 O PHE A 146 -3.336 13.941 6.213 1.00 0.00 O ATOM 1104 CB PHE A 146 -2.701 10.711 5.708 1.00 0.00 C ATOM 1105 CG PHE A 146 -1.556 9.954 5.096 1.00 0.00 C ATOM 1106 CD1 PHE A 146 -0.611 10.607 4.323 1.00 0.00 C ATOM 1107 CD2 PHE A 146 -1.427 8.589 5.295 1.00 0.00 C ATOM 1108 CE1 PHE A 146 0.444 9.914 3.759 1.00 0.00 C ATOM 1109 CE2 PHE A 146 -0.375 7.890 4.734 1.00 0.00 C ATOM 1110 CZ PHE A 146 0.561 8.553 3.964 1.00 0.00 C ATOM 0 H PHE A 146 -1.858 10.275 7.985 1.00 0.00 H new ATOM 0 HA PHE A 146 -1.391 12.338 6.213 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -3.331 10.015 6.262 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.315 11.132 4.912 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -0.699 11.671 4.159 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -2.157 8.065 5.895 1.00 0.00 H new ATOM 0 HE1 PHE A 146 1.175 10.436 3.159 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.285 6.826 4.897 1.00 0.00 H new ATOM 0 HZ PHE A 146 1.383 8.008 3.523 1.00 0.00 H new