USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 741 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 68 THR OG1 : rot 153:sc= 0.702 USER MOD Set 1.2: A 91 GLN :FLIP amide:sc= 0.628 F(o=0.68,f=1.3) USER MOD Set 2.1: A 29 THR OG1 : rot 146:sc= 0.978 USER MOD Set 2.2: A 31 HIS : no HE2:sc= -0.892 K(o=0.086,f=-2.7) USER MOD Single : A 14 GLN : amide:sc= -1.09 K(o=-1.1,f=-5.7!) USER MOD Single : A 15 GLN :FLIP amide:sc= -0.113 F(o=-1.3!,f=-0.11) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 141:sc= -0.0472 (180deg=-1.09) USER MOD Single : A 23 SER OG : rot 180:sc=0.000902 USER MOD Single : A 26 GLN : amide:sc= -0.226 K(o=-0.23,f=-1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 90:sc= -1.39 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 39:sc= 0.213 USER MOD Single : A 43 SER OG : rot 73:sc= 0.553 USER MOD Single : A 67 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.299 K(o=-0.3,f=-1.4) USER MOD Single : A 73 LYS NZ :NH3+ -129:sc= -1.11 (180deg=-3.43!) USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 161:sc= -0.0678 (180deg=-0.472) USER MOD Single : A 79 ASN : amide:sc= -0.206 K(o=-0.21,f=-1) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -96:sc= 0.181 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot 118:sc= 0.227 USER MOD Single : A 112 GLN : amide:sc= -3.53 K(o=-3.5,f=-8.1!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot -89:sc= -1.46 USER MOD ----------------------------------------------------------------- ATOM 112 N GLN A 14 0.723 12.663 -0.961 1.00 0.00 N ATOM 113 CA GLN A 14 1.199 11.816 0.121 1.00 0.00 C ATOM 114 C GLN A 14 2.175 10.764 -0.402 1.00 0.00 C ATOM 115 O GLN A 14 1.784 9.845 -1.124 1.00 0.00 O ATOM 116 CB GLN A 14 0.010 11.143 0.811 1.00 0.00 C ATOM 117 CG GLN A 14 0.396 9.992 1.721 1.00 0.00 C ATOM 118 CD GLN A 14 1.182 10.434 2.941 1.00 0.00 C ATOM 119 OE1 GLN A 14 1.911 11.426 2.905 1.00 0.00 O ATOM 120 NE2 GLN A 14 1.038 9.696 4.035 1.00 0.00 N ATOM 0 HA GLN A 14 1.728 12.437 0.844 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.528 11.890 1.395 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.679 10.776 0.050 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.507 9.475 2.046 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.989 9.273 1.156 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.424 8.881 4.024 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.541 9.943 4.887 1.00 0.00 H new ATOM 129 N GLN A 15 3.445 10.906 -0.036 1.00 0.00 N ATOM 130 CA GLN A 15 4.478 9.970 -0.468 1.00 0.00 C ATOM 131 C GLN A 15 5.396 9.593 0.690 1.00 0.00 C ATOM 132 O GLN A 15 5.660 10.406 1.576 1.00 0.00 O ATOM 133 CB GLN A 15 5.303 10.574 -1.606 1.00 0.00 C ATOM 134 CG GLN A 15 4.488 10.900 -2.847 1.00 0.00 C ATOM 135 CD GLN A 15 5.339 11.448 -3.978 1.00 0.00 C ATOM 136 OE1 GLN A 15 6.591 11.010 -4.045 1.00 0.00 O flip ATOM 137 NE2 GLN A 15 4.875 12.253 -4.784 1.00 0.00 N flip ATOM 0 H GLN A 15 3.784 11.661 0.560 1.00 0.00 H new ATOM 0 HA GLN A 15 3.982 9.067 -0.824 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.785 11.484 -1.250 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.097 9.878 -1.876 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.975 10.000 -3.187 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.719 11.628 -2.591 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.907 12.563 -4.695 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.458 12.610 -5.541 1.00 0.00 H new ATOM 146 N GLY A 16 5.880 8.354 0.675 1.00 0.00 N ATOM 147 CA GLY A 16 6.767 7.888 1.724 1.00 0.00 C ATOM 148 C GLY A 16 7.170 6.438 1.540 1.00 0.00 C ATOM 149 O GLY A 16 7.618 6.043 0.463 1.00 0.00 O ATOM 0 H GLY A 16 5.673 7.664 -0.047 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.661 8.511 1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.276 8.006 2.690 1.00 0.00 H new ATOM 153 N GLU A 17 7.009 5.641 2.593 1.00 0.00 N ATOM 154 CA GLU A 17 7.362 4.226 2.541 1.00 0.00 C ATOM 155 C GLU A 17 6.323 3.376 3.266 1.00 0.00 C ATOM 156 O GLU A 17 5.764 3.790 4.282 1.00 0.00 O ATOM 157 CB GLU A 17 8.742 4.000 3.159 1.00 0.00 C ATOM 158 CG GLU A 17 9.851 4.779 2.472 1.00 0.00 C ATOM 159 CD GLU A 17 11.206 4.557 3.114 1.00 0.00 C ATOM 160 OE1 GLU A 17 11.469 5.164 4.174 1.00 0.00 O ATOM 161 OE2 GLU A 17 12.005 3.775 2.557 1.00 0.00 O ATOM 0 H GLU A 17 6.637 5.951 3.491 1.00 0.00 H new ATOM 0 HA GLU A 17 7.385 3.923 1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.710 4.281 4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.979 2.937 3.120 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.898 4.487 1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.612 5.842 2.497 1.00 0.00 H new ATOM 168 N LEU A 18 6.069 2.183 2.735 1.00 0.00 N ATOM 169 CA LEU A 18 5.100 1.267 3.327 1.00 0.00 C ATOM 170 C LEU A 18 5.566 -0.179 3.184 1.00 0.00 C ATOM 171 O LEU A 18 6.530 -0.461 2.474 1.00 0.00 O ATOM 172 CB LEU A 18 3.730 1.442 2.667 1.00 0.00 C ATOM 173 CG LEU A 18 2.630 1.988 3.583 1.00 0.00 C ATOM 174 CD1 LEU A 18 1.339 2.181 2.805 1.00 0.00 C ATOM 175 CD2 LEU A 18 2.406 1.057 4.766 1.00 0.00 C ATOM 0 H LEU A 18 6.523 1.828 1.893 1.00 0.00 H new ATOM 0 HA LEU A 18 5.015 1.501 4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.838 2.114 1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.408 0.478 2.274 1.00 0.00 H new ATOM 0 HG LEU A 18 2.951 2.957 3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.568 2.569 3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.506 2.887 1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.016 1.225 2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.621 1.462 5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.107 0.073 4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.329 0.967 5.338 1.00 0.00 H new ATOM 187 N TYR A 19 4.876 -1.092 3.862 1.00 0.00 N ATOM 188 CA TYR A 19 5.224 -2.506 3.808 1.00 0.00 C ATOM 189 C TYR A 19 4.156 -3.301 3.065 1.00 0.00 C ATOM 190 O TYR A 19 2.962 -3.030 3.192 1.00 0.00 O ATOM 191 CB TYR A 19 5.401 -3.061 5.222 1.00 0.00 C ATOM 192 CG TYR A 19 6.461 -2.343 6.025 1.00 0.00 C ATOM 193 CD1 TYR A 19 6.167 -1.168 6.704 1.00 0.00 C ATOM 194 CD2 TYR A 19 7.755 -2.842 6.104 1.00 0.00 C ATOM 195 CE1 TYR A 19 7.134 -0.508 7.440 1.00 0.00 C ATOM 196 CE2 TYR A 19 8.727 -2.190 6.839 1.00 0.00 C ATOM 197 CZ TYR A 19 8.412 -1.023 7.504 1.00 0.00 C ATOM 198 OH TYR A 19 9.377 -0.370 8.236 1.00 0.00 O ATOM 0 H TYR A 19 4.074 -0.877 4.454 1.00 0.00 H new ATOM 0 HA TYR A 19 6.165 -2.604 3.266 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.450 -2.996 5.751 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.659 -4.118 5.159 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.167 -0.763 6.657 1.00 0.00 H new ATOM 0 HD2 TYR A 19 8.006 -3.754 5.583 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.890 0.406 7.962 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.728 -2.592 6.893 1.00 0.00 H new ATOM 0 HH TYR A 19 10.221 -0.864 8.179 1.00 0.00 H new ATOM 208 N MET A 20 4.598 -4.283 2.288 1.00 0.00 N ATOM 209 CA MET A 20 3.691 -5.125 1.518 1.00 0.00 C ATOM 210 C MET A 20 4.072 -6.594 1.650 1.00 0.00 C ATOM 211 O MET A 20 5.251 -6.946 1.614 1.00 0.00 O ATOM 212 CB MET A 20 3.705 -4.706 0.048 1.00 0.00 C ATOM 213 CG MET A 20 3.015 -3.376 -0.211 1.00 0.00 C ATOM 214 SD MET A 20 3.317 -2.748 -1.875 1.00 0.00 S ATOM 215 CE MET A 20 2.599 -4.056 -2.867 1.00 0.00 C ATOM 0 H MET A 20 5.584 -4.516 2.175 1.00 0.00 H new ATOM 0 HA MET A 20 2.684 -4.996 1.914 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.738 -4.643 -0.294 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.220 -5.480 -0.547 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.942 -3.493 -0.060 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.362 -2.643 0.518 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.081 -3.622 -3.722 1.00 0.00 H new ATOM 0 HE2 MET A 20 3.388 -4.720 -3.220 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.891 -4.623 -2.263 1.00 0.00 H new ATOM 225 N TRP A 21 3.066 -7.449 1.807 1.00 0.00 N ATOM 226 CA TRP A 21 3.292 -8.882 1.951 1.00 0.00 C ATOM 227 C TRP A 21 3.985 -9.462 0.722 1.00 0.00 C ATOM 228 O TRP A 21 3.490 -9.341 -0.399 1.00 0.00 O ATOM 229 CB TRP A 21 1.964 -9.605 2.194 1.00 0.00 C ATOM 230 CG TRP A 21 2.075 -11.099 2.139 1.00 0.00 C ATOM 231 CD1 TRP A 21 1.393 -11.939 1.305 1.00 0.00 C ATOM 232 CD2 TRP A 21 2.920 -11.929 2.945 1.00 0.00 C ATOM 233 NE1 TRP A 21 1.760 -13.241 1.547 1.00 0.00 N ATOM 234 CE2 TRP A 21 2.695 -13.261 2.548 1.00 0.00 C ATOM 235 CE3 TRP A 21 3.844 -11.679 3.964 1.00 0.00 C ATOM 236 CZ2 TRP A 21 3.359 -14.335 3.134 1.00 0.00 C ATOM 237 CZ3 TRP A 21 4.502 -12.746 4.543 1.00 0.00 C ATOM 238 CH2 TRP A 21 4.256 -14.060 4.127 1.00 0.00 C ATOM 0 H TRP A 21 2.085 -7.173 1.838 1.00 0.00 H new ATOM 0 HA TRP A 21 3.946 -9.032 2.810 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.575 -9.314 3.169 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.239 -9.275 1.450 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.672 -11.626 0.565 1.00 0.00 H new ATOM 0 HE1 TRP A 21 1.395 -14.060 1.060 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.040 -10.669 4.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.172 -15.350 2.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 5.219 -12.564 5.330 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.786 -14.873 4.601 1.00 0.00 H new ATOM 249 N ASP A 22 5.132 -10.093 0.946 1.00 0.00 N ATOM 250 CA ASP A 22 5.897 -10.706 -0.132 1.00 0.00 C ATOM 251 C ASP A 22 5.801 -12.226 -0.057 1.00 0.00 C ATOM 252 O ASP A 22 6.414 -12.850 0.809 1.00 0.00 O ATOM 253 CB ASP A 22 7.363 -10.272 -0.060 1.00 0.00 C ATOM 254 CG ASP A 22 7.540 -8.787 -0.307 1.00 0.00 C ATOM 255 OD1 ASP A 22 7.647 -8.390 -1.486 1.00 0.00 O ATOM 256 OD2 ASP A 22 7.573 -8.022 0.679 1.00 0.00 O ATOM 0 H ASP A 22 5.554 -10.193 1.869 1.00 0.00 H new ATOM 0 HA ASP A 22 5.477 -10.374 -1.081 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.766 -10.525 0.921 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.941 -10.831 -0.796 1.00 0.00 H new ATOM 261 N SER A 23 5.026 -12.814 -0.963 1.00 0.00 N ATOM 262 CA SER A 23 4.846 -14.263 -0.991 1.00 0.00 C ATOM 263 C SER A 23 6.022 -14.953 -1.675 1.00 0.00 C ATOM 264 O SER A 23 6.053 -16.178 -1.788 1.00 0.00 O ATOM 265 CB SER A 23 3.542 -14.625 -1.703 1.00 0.00 C ATOM 266 OG SER A 23 3.472 -14.019 -2.982 1.00 0.00 O ATOM 0 H SER A 23 4.513 -12.311 -1.687 1.00 0.00 H new ATOM 0 HA SER A 23 4.798 -14.612 0.040 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.469 -15.708 -1.806 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.693 -14.304 -1.099 1.00 0.00 H new ATOM 0 HG SER A 23 2.630 -14.268 -3.416 1.00 0.00 H new ATOM 272 N ILE A 24 6.989 -14.162 -2.130 1.00 0.00 N ATOM 273 CA ILE A 24 8.166 -14.707 -2.795 1.00 0.00 C ATOM 274 C ILE A 24 9.128 -15.293 -1.770 1.00 0.00 C ATOM 275 O ILE A 24 9.739 -16.338 -1.995 1.00 0.00 O ATOM 276 CB ILE A 24 8.898 -13.633 -3.624 1.00 0.00 C ATOM 277 CG1 ILE A 24 7.937 -12.991 -4.628 1.00 0.00 C ATOM 278 CG2 ILE A 24 10.095 -14.241 -4.341 1.00 0.00 C ATOM 279 CD1 ILE A 24 8.539 -11.832 -5.393 1.00 0.00 C ATOM 0 H ILE A 24 6.980 -13.145 -2.050 1.00 0.00 H new ATOM 0 HA ILE A 24 7.824 -15.491 -3.471 1.00 0.00 H new ATOM 0 HB ILE A 24 9.260 -12.858 -2.949 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.607 -13.750 -5.337 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.051 -12.643 -4.097 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.601 -13.470 -4.922 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.787 -14.655 -3.607 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.756 -15.034 -5.008 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.799 -11.429 -6.085 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.844 -11.054 -4.694 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.408 -12.178 -5.953 1.00 0.00 H new ATOM 291 N ASP A 25 9.253 -14.604 -0.643 1.00 0.00 N ATOM 292 CA ASP A 25 10.122 -15.042 0.441 1.00 0.00 C ATOM 293 C ASP A 25 9.323 -15.155 1.732 1.00 0.00 C ATOM 294 O ASP A 25 9.858 -15.523 2.778 1.00 0.00 O ATOM 295 CB ASP A 25 11.277 -14.059 0.629 1.00 0.00 C ATOM 296 CG ASP A 25 12.241 -14.068 -0.542 1.00 0.00 C ATOM 297 OD1 ASP A 25 11.994 -13.332 -1.519 1.00 0.00 O ATOM 298 OD2 ASP A 25 13.243 -14.812 -0.479 1.00 0.00 O ATOM 0 H ASP A 25 8.759 -13.732 -0.455 1.00 0.00 H new ATOM 0 HA ASP A 25 10.533 -16.019 0.186 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.877 -13.053 0.759 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.817 -14.308 1.543 1.00 0.00 H new ATOM 303 N GLN A 26 8.035 -14.838 1.641 1.00 0.00 N ATOM 304 CA GLN A 26 7.145 -14.887 2.791 1.00 0.00 C ATOM 305 C GLN A 26 7.711 -14.065 3.938 1.00 0.00 C ATOM 306 O GLN A 26 8.187 -14.607 4.936 1.00 0.00 O ATOM 307 CB GLN A 26 6.902 -16.332 3.221 1.00 0.00 C ATOM 308 CG GLN A 26 6.026 -17.096 2.245 1.00 0.00 C ATOM 309 CD GLN A 26 4.717 -17.549 2.859 1.00 0.00 C ATOM 310 OE1 GLN A 26 4.641 -17.830 4.055 1.00 0.00 O ATOM 311 NE2 GLN A 26 3.674 -17.617 2.038 1.00 0.00 N ATOM 0 H GLN A 26 7.584 -14.543 0.775 1.00 0.00 H new ATOM 0 HA GLN A 26 6.186 -14.455 2.505 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.860 -16.843 3.320 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.434 -16.340 4.205 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.817 -16.465 1.381 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.571 -17.967 1.880 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.783 -17.374 1.053 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.764 -17.912 2.393 1.00 0.00 H new ATOM 320 N LYS A 27 7.658 -12.746 3.779 1.00 0.00 N ATOM 321 CA LYS A 27 8.173 -11.830 4.790 1.00 0.00 C ATOM 322 C LYS A 27 7.767 -10.392 4.480 1.00 0.00 C ATOM 323 O LYS A 27 7.152 -10.119 3.448 1.00 0.00 O ATOM 324 CB LYS A 27 9.698 -11.935 4.861 1.00 0.00 C ATOM 325 CG LYS A 27 10.399 -11.467 3.596 1.00 0.00 C ATOM 326 CD LYS A 27 11.905 -11.654 3.690 1.00 0.00 C ATOM 327 CE LYS A 27 12.609 -11.141 2.444 1.00 0.00 C ATOM 328 NZ LYS A 27 14.085 -11.318 2.529 1.00 0.00 N ATOM 0 H LYS A 27 7.263 -12.287 2.958 1.00 0.00 H new ATOM 0 HA LYS A 27 7.745 -12.108 5.753 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.056 -11.344 5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.974 -12.971 5.057 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.015 -12.022 2.740 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.172 -10.415 3.421 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.284 -11.128 4.566 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.134 -12.711 3.829 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.230 -11.669 1.569 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.377 -10.085 2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.529 -10.956 1.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.451 -10.794 3.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.308 -12.328 2.637 1.00 0.00 H new ATOM 342 N TRP A 28 8.114 -9.478 5.380 1.00 0.00 N ATOM 343 CA TRP A 28 7.796 -8.065 5.200 1.00 0.00 C ATOM 344 C TRP A 28 9.046 -7.273 4.833 1.00 0.00 C ATOM 345 O TRP A 28 10.094 -7.423 5.461 1.00 0.00 O ATOM 346 CB TRP A 28 7.171 -7.489 6.473 1.00 0.00 C ATOM 347 CG TRP A 28 5.773 -7.967 6.722 1.00 0.00 C ATOM 348 CD1 TRP A 28 5.389 -8.989 7.542 1.00 0.00 C ATOM 349 CD2 TRP A 28 4.571 -7.440 6.145 1.00 0.00 C ATOM 350 NE1 TRP A 28 4.022 -9.129 7.513 1.00 0.00 N ATOM 351 CE2 TRP A 28 3.498 -8.193 6.661 1.00 0.00 C ATOM 352 CE3 TRP A 28 4.297 -6.406 5.243 1.00 0.00 C ATOM 353 CZ2 TRP A 28 2.176 -7.943 6.306 1.00 0.00 C ATOM 354 CZ3 TRP A 28 2.984 -6.161 4.893 1.00 0.00 C ATOM 355 CH2 TRP A 28 1.938 -6.927 5.422 1.00 0.00 C ATOM 0 H TRP A 28 8.616 -9.690 6.242 1.00 0.00 H new ATOM 0 HA TRP A 28 7.077 -7.982 4.385 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.795 -7.755 7.327 1.00 0.00 H new ATOM 0 HB3 TRP A 28 7.168 -6.401 6.407 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.061 -9.598 8.128 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.485 -9.818 8.040 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.097 -5.811 4.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.367 -8.530 6.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.760 -5.364 4.199 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.922 -6.711 5.126 1.00 0.00 H new ATOM 366 N THR A 29 8.928 -6.431 3.812 1.00 0.00 N ATOM 367 CA THR A 29 10.049 -5.615 3.359 1.00 0.00 C ATOM 368 C THR A 29 9.643 -4.153 3.212 1.00 0.00 C ATOM 369 O THR A 29 8.456 -3.829 3.192 1.00 0.00 O ATOM 370 CB THR A 29 10.600 -6.121 2.012 1.00 0.00 C ATOM 371 OG1 THR A 29 9.568 -6.090 1.019 1.00 0.00 O ATOM 372 CG2 THR A 29 11.140 -7.536 2.144 1.00 0.00 C ATOM 0 H THR A 29 8.067 -6.296 3.282 1.00 0.00 H new ATOM 0 HA THR A 29 10.827 -5.697 4.118 1.00 0.00 H new ATOM 0 HB THR A 29 11.416 -5.465 1.709 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.960 -5.880 0.146 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.523 -7.871 1.180 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.944 -7.551 2.879 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.340 -8.202 2.467 1.00 0.00 H new ATOM 380 N ARG A 30 10.636 -3.275 3.108 1.00 0.00 N ATOM 381 CA ARG A 30 10.380 -1.848 2.962 1.00 0.00 C ATOM 382 C ARG A 30 10.279 -1.461 1.490 1.00 0.00 C ATOM 383 O ARG A 30 11.215 -1.668 0.717 1.00 0.00 O ATOM 384 CB ARG A 30 11.489 -1.040 3.640 1.00 0.00 C ATOM 385 CG ARG A 30 11.264 0.463 3.597 1.00 0.00 C ATOM 386 CD ARG A 30 12.357 1.211 4.343 1.00 0.00 C ATOM 387 NE ARG A 30 12.381 0.873 5.765 1.00 0.00 N ATOM 388 CZ ARG A 30 13.235 1.401 6.635 1.00 0.00 C ATOM 389 NH1 ARG A 30 14.135 2.289 6.231 1.00 0.00 N ATOM 390 NH2 ARG A 30 13.193 1.043 7.910 1.00 0.00 N ATOM 0 H ARG A 30 11.624 -3.527 3.122 1.00 0.00 H new ATOM 0 HA ARG A 30 9.428 -1.622 3.443 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.573 -1.356 4.680 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.440 -1.270 3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.235 0.798 2.560 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.295 0.700 4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 30 13.324 0.977 3.899 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.205 2.284 4.228 1.00 0.00 H new ATOM 0 HE ARG A 30 11.703 0.193 6.109 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.172 2.568 5.250 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.789 2.693 6.901 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.504 0.360 8.226 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.850 1.450 8.576 1.00 0.00 H new ATOM 404 N HIS A 31 9.137 -0.896 1.110 1.00 0.00 N ATOM 405 CA HIS A 31 8.905 -0.479 -0.269 1.00 0.00 C ATOM 406 C HIS A 31 8.642 1.022 -0.344 1.00 0.00 C ATOM 407 O HIS A 31 7.799 1.548 0.382 1.00 0.00 O ATOM 408 CB HIS A 31 7.716 -1.237 -0.866 1.00 0.00 C ATOM 409 CG HIS A 31 7.970 -2.695 -1.107 1.00 0.00 C ATOM 410 ND1 HIS A 31 7.122 -3.488 -1.852 1.00 0.00 N ATOM 411 CD2 HIS A 31 8.977 -3.505 -0.702 1.00 0.00 C ATOM 412 CE1 HIS A 31 7.594 -4.721 -1.891 1.00 0.00 C ATOM 413 NE2 HIS A 31 8.719 -4.757 -1.201 1.00 0.00 N ATOM 0 H HIS A 31 8.355 -0.716 1.740 1.00 0.00 H new ATOM 0 HA HIS A 31 9.802 -0.710 -0.844 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.862 -1.135 -0.196 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.438 -0.768 -1.810 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.264 -3.171 -2.303 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.826 -3.219 -0.098 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.138 -5.557 -2.400 1.00 0.00 H new ATOM 422 N TYR A 32 9.364 1.706 -1.225 1.00 0.00 N ATOM 423 CA TYR A 32 9.193 3.144 -1.394 1.00 0.00 C ATOM 424 C TYR A 32 7.894 3.438 -2.136 1.00 0.00 C ATOM 425 O TYR A 32 7.810 3.271 -3.353 1.00 0.00 O ATOM 426 CB TYR A 32 10.380 3.740 -2.152 1.00 0.00 C ATOM 427 CG TYR A 32 10.320 5.244 -2.290 1.00 0.00 C ATOM 428 CD1 TYR A 32 10.672 6.072 -1.230 1.00 0.00 C ATOM 429 CD2 TYR A 32 9.910 5.837 -3.477 1.00 0.00 C ATOM 430 CE1 TYR A 32 10.618 7.447 -1.352 1.00 0.00 C ATOM 431 CE2 TYR A 32 9.854 7.212 -3.606 1.00 0.00 C ATOM 432 CZ TYR A 32 10.208 8.012 -2.541 1.00 0.00 C ATOM 433 OH TYR A 32 10.154 9.382 -2.666 1.00 0.00 O ATOM 0 H TYR A 32 10.071 1.289 -1.831 1.00 0.00 H new ATOM 0 HA TYR A 32 9.146 3.604 -0.407 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.302 3.468 -1.638 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.426 3.294 -3.146 1.00 0.00 H new ATOM 0 HD1 TYR A 32 10.993 5.633 -0.297 1.00 0.00 H new ATOM 0 HD2 TYR A 32 9.630 5.213 -4.313 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.896 8.077 -0.520 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.534 7.657 -4.537 1.00 0.00 H new ATOM 0 HH TYR A 32 9.846 9.616 -3.566 1.00 0.00 H new ATOM 443 N CYS A 33 6.882 3.872 -1.392 1.00 0.00 N ATOM 444 CA CYS A 33 5.579 4.173 -1.975 1.00 0.00 C ATOM 445 C CYS A 33 5.451 5.650 -2.335 1.00 0.00 C ATOM 446 O CYS A 33 6.193 6.493 -1.832 1.00 0.00 O ATOM 447 CB CYS A 33 4.467 3.775 -1.006 1.00 0.00 C ATOM 448 SG CYS A 33 4.337 1.995 -0.720 1.00 0.00 S ATOM 0 H CYS A 33 6.939 4.023 -0.385 1.00 0.00 H new ATOM 0 HA CYS A 33 5.485 3.595 -2.895 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.636 4.274 -0.052 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.515 4.140 -1.392 1.00 0.00 H new ATOM 0 HG CYS A 33 5.091 1.661 0.285 1.00 0.00 H new ATOM 454 N ALA A 34 4.498 5.948 -3.213 1.00 0.00 N ATOM 455 CA ALA A 34 4.250 7.315 -3.653 1.00 0.00 C ATOM 456 C ALA A 34 2.924 7.404 -4.401 1.00 0.00 C ATOM 457 O ALA A 34 2.752 6.783 -5.451 1.00 0.00 O ATOM 458 CB ALA A 34 5.391 7.804 -4.534 1.00 0.00 C ATOM 0 H ALA A 34 3.881 5.254 -3.636 1.00 0.00 H new ATOM 0 HA ALA A 34 4.192 7.955 -2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.191 8.826 -4.854 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.323 7.776 -3.970 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.477 7.160 -5.409 1.00 0.00 H new ATOM 464 N ILE A 35 1.990 8.178 -3.859 1.00 0.00 N ATOM 465 CA ILE A 35 0.677 8.333 -4.474 1.00 0.00 C ATOM 466 C ILE A 35 0.665 9.478 -5.482 1.00 0.00 C ATOM 467 O ILE A 35 0.989 10.618 -5.148 1.00 0.00 O ATOM 468 CB ILE A 35 -0.414 8.578 -3.411 1.00 0.00 C ATOM 469 CG1 ILE A 35 -0.492 7.386 -2.452 1.00 0.00 C ATOM 470 CG2 ILE A 35 -1.763 8.823 -4.075 1.00 0.00 C ATOM 471 CD1 ILE A 35 -1.453 7.592 -1.300 1.00 0.00 C ATOM 0 H ILE A 35 2.118 8.707 -2.996 1.00 0.00 H new ATOM 0 HA ILE A 35 0.462 7.401 -4.996 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.151 9.468 -2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.794 6.501 -3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.502 7.187 -2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.520 8.994 -3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.697 9.698 -4.721 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.039 7.953 -4.670 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.454 6.707 -0.664 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.141 8.458 -0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.457 7.760 -1.689 1.00 0.00 H new ATOM 483 N ALA A 36 0.290 9.161 -6.718 1.00 0.00 N ATOM 484 CA ALA A 36 0.230 10.153 -7.784 1.00 0.00 C ATOM 485 C ALA A 36 -0.839 9.788 -8.809 1.00 0.00 C ATOM 486 O ALA A 36 -0.995 8.620 -9.167 1.00 0.00 O ATOM 487 CB ALA A 36 1.587 10.279 -8.459 1.00 0.00 C ATOM 0 H ALA A 36 0.022 8.220 -7.006 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.037 11.113 -7.343 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.530 11.023 -9.254 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.331 10.588 -7.725 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.873 9.316 -8.883 1.00 0.00 H new ATOM 493 N ASP A 37 -1.573 10.795 -9.277 1.00 0.00 N ATOM 494 CA ASP A 37 -2.628 10.584 -10.266 1.00 0.00 C ATOM 495 C ASP A 37 -3.676 9.601 -9.748 1.00 0.00 C ATOM 496 O ASP A 37 -4.121 8.714 -10.475 1.00 0.00 O ATOM 497 CB ASP A 37 -2.032 10.070 -11.578 1.00 0.00 C ATOM 498 CG ASP A 37 -1.029 11.037 -12.176 1.00 0.00 C ATOM 499 OD1 ASP A 37 0.171 10.925 -11.850 1.00 0.00 O ATOM 500 OD2 ASP A 37 -1.444 11.906 -12.971 1.00 0.00 O ATOM 0 H ASP A 37 -1.457 11.766 -8.987 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.116 11.542 -10.448 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.546 9.110 -11.402 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.835 9.894 -12.294 1.00 0.00 H new ATOM 505 N ALA A 38 -4.068 9.773 -8.487 1.00 0.00 N ATOM 506 CA ALA A 38 -5.065 8.906 -7.864 1.00 0.00 C ATOM 507 C ALA A 38 -4.595 7.457 -7.825 1.00 0.00 C ATOM 508 O ALA A 38 -5.394 6.542 -7.629 1.00 0.00 O ATOM 509 CB ALA A 38 -6.395 9.009 -8.597 1.00 0.00 C ATOM 0 H ALA A 38 -3.709 10.507 -7.876 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.201 9.243 -6.837 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.125 8.356 -8.119 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.751 10.039 -8.562 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.262 8.706 -9.636 1.00 0.00 H new ATOM 515 N LYS A 39 -3.295 7.251 -8.011 1.00 0.00 N ATOM 516 CA LYS A 39 -2.726 5.909 -7.991 1.00 0.00 C ATOM 517 C LYS A 39 -1.611 5.806 -6.957 1.00 0.00 C ATOM 518 O LYS A 39 -1.180 6.812 -6.395 1.00 0.00 O ATOM 519 CB LYS A 39 -2.195 5.534 -9.374 1.00 0.00 C ATOM 520 CG LYS A 39 -3.275 5.494 -10.440 1.00 0.00 C ATOM 521 CD LYS A 39 -2.713 5.089 -11.793 1.00 0.00 C ATOM 522 CE LYS A 39 -3.789 5.089 -12.866 1.00 0.00 C ATOM 523 NZ LYS A 39 -3.247 4.694 -14.196 1.00 0.00 N ATOM 0 H LYS A 39 -2.617 7.995 -8.177 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.517 5.211 -7.715 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.429 6.252 -9.669 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.713 4.558 -9.318 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.053 4.791 -10.144 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.745 6.474 -10.519 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.915 5.775 -12.077 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.269 4.096 -11.721 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.586 4.403 -12.581 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.233 6.082 -12.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.012 4.706 -14.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.504 5.363 -14.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.846 3.736 -14.137 1.00 0.00 H new ATOM 537 N LEU A 40 -1.153 4.585 -6.707 1.00 0.00 N ATOM 538 CA LEU A 40 -0.086 4.350 -5.740 1.00 0.00 C ATOM 539 C LEU A 40 1.001 3.463 -6.339 1.00 0.00 C ATOM 540 O LEU A 40 0.753 2.309 -6.682 1.00 0.00 O ATOM 541 CB LEU A 40 -0.658 3.703 -4.475 1.00 0.00 C ATOM 542 CG LEU A 40 0.378 3.105 -3.521 1.00 0.00 C ATOM 543 CD1 LEU A 40 1.296 4.190 -2.978 1.00 0.00 C ATOM 544 CD2 LEU A 40 -0.310 2.367 -2.383 1.00 0.00 C ATOM 0 H LEU A 40 -1.504 3.741 -7.161 1.00 0.00 H new ATOM 0 HA LEU A 40 0.360 5.309 -5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.237 4.451 -3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.352 2.916 -4.771 1.00 0.00 H new ATOM 0 HG LEU A 40 0.985 2.391 -4.077 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.025 3.744 -2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.816 4.674 -3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.705 4.930 -2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.442 1.948 -1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.942 3.061 -1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.923 1.562 -2.789 1.00 0.00 H new ATOM 556 N SER A 41 2.209 4.007 -6.452 1.00 0.00 N ATOM 557 CA SER A 41 3.330 3.263 -7.020 1.00 0.00 C ATOM 558 C SER A 41 4.323 2.843 -5.943 1.00 0.00 C ATOM 559 O SER A 41 4.885 3.681 -5.239 1.00 0.00 O ATOM 560 CB SER A 41 4.047 4.108 -8.075 1.00 0.00 C ATOM 561 OG SER A 41 4.414 5.373 -7.555 1.00 0.00 O ATOM 0 H SER A 41 2.437 4.957 -6.159 1.00 0.00 H new ATOM 0 HA SER A 41 2.926 2.363 -7.485 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.937 3.583 -8.422 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.398 4.242 -8.940 1.00 0.00 H new ATOM 0 HG SER A 41 4.725 5.269 -6.631 1.00 0.00 H new ATOM 567 N PHE A 42 4.534 1.536 -5.821 1.00 0.00 N ATOM 568 CA PHE A 42 5.474 1.001 -4.844 1.00 0.00 C ATOM 569 C PHE A 42 6.753 0.547 -5.540 1.00 0.00 C ATOM 570 O PHE A 42 6.704 -0.046 -6.617 1.00 0.00 O ATOM 571 CB PHE A 42 4.848 -0.160 -4.066 1.00 0.00 C ATOM 572 CG PHE A 42 4.394 -1.302 -4.932 1.00 0.00 C ATOM 573 CD1 PHE A 42 3.130 -1.298 -5.500 1.00 0.00 C ATOM 574 CD2 PHE A 42 5.230 -2.380 -5.174 1.00 0.00 C ATOM 575 CE1 PHE A 42 2.709 -2.349 -6.291 1.00 0.00 C ATOM 576 CE2 PHE A 42 4.815 -3.433 -5.965 1.00 0.00 C ATOM 577 CZ PHE A 42 3.552 -3.418 -6.525 1.00 0.00 C ATOM 0 H PHE A 42 4.066 0.828 -6.387 1.00 0.00 H new ATOM 0 HA PHE A 42 5.721 1.791 -4.135 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.573 -0.532 -3.343 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.995 0.214 -3.499 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.467 -0.464 -5.322 1.00 0.00 H new ATOM 0 HD2 PHE A 42 6.218 -2.397 -4.739 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.721 -2.335 -6.727 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.477 -4.267 -6.146 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.225 -4.240 -7.144 1.00 0.00 H new ATOM 587 N SER A 43 7.895 0.835 -4.926 1.00 0.00 N ATOM 588 CA SER A 43 9.183 0.464 -5.501 1.00 0.00 C ATOM 589 C SER A 43 9.655 -0.889 -4.981 1.00 0.00 C ATOM 590 O SER A 43 9.210 -1.352 -3.929 1.00 0.00 O ATOM 591 CB SER A 43 10.228 1.536 -5.191 1.00 0.00 C ATOM 592 OG SER A 43 9.748 2.827 -5.520 1.00 0.00 O ATOM 0 H SER A 43 7.956 1.323 -4.032 1.00 0.00 H new ATOM 0 HA SER A 43 9.056 0.386 -6.581 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.487 1.500 -4.133 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.141 1.331 -5.750 1.00 0.00 H new ATOM 0 HG SER A 43 9.076 3.104 -4.862 1.00 0.00 H new ATOM 598 N ASP A 44 10.560 -1.517 -5.727 1.00 0.00 N ATOM 599 CA ASP A 44 11.104 -2.816 -5.348 1.00 0.00 C ATOM 600 C ASP A 44 11.832 -2.728 -4.010 1.00 0.00 C ATOM 601 O ASP A 44 12.124 -1.636 -3.525 1.00 0.00 O ATOM 602 CB ASP A 44 12.068 -3.320 -6.424 1.00 0.00 C ATOM 603 CG ASP A 44 13.340 -2.499 -6.491 1.00 0.00 C ATOM 604 OD1 ASP A 44 13.309 -1.402 -7.088 1.00 0.00 O ATOM 605 OD2 ASP A 44 14.368 -2.952 -5.946 1.00 0.00 O ATOM 0 H ASP A 44 10.933 -1.145 -6.601 1.00 0.00 H new ATOM 0 HA ASP A 44 10.274 -3.516 -5.251 1.00 0.00 H new ATOM 0 HB2 ASP A 44 12.321 -4.361 -6.222 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.571 -3.295 -7.394 1.00 0.00 H new ATOM 610 N ASP A 45 12.115 -3.885 -3.417 1.00 0.00 N ATOM 611 CA ASP A 45 12.816 -3.939 -2.138 1.00 0.00 C ATOM 612 C ASP A 45 14.063 -3.060 -2.174 1.00 0.00 C ATOM 613 O ASP A 45 14.944 -3.252 -3.012 1.00 0.00 O ATOM 614 CB ASP A 45 13.206 -5.382 -1.812 1.00 0.00 C ATOM 615 CG ASP A 45 12.033 -6.336 -1.917 1.00 0.00 C ATOM 616 OD1 ASP A 45 11.745 -6.800 -3.041 1.00 0.00 O ATOM 617 OD2 ASP A 45 11.403 -6.621 -0.877 1.00 0.00 O ATOM 0 H ASP A 45 11.870 -4.797 -3.802 1.00 0.00 H new ATOM 0 HA ASP A 45 12.148 -3.566 -1.362 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.995 -5.704 -2.492 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.617 -5.425 -0.803 1.00 0.00 H new ATOM 622 N ILE A 46 14.130 -2.093 -1.264 1.00 0.00 N ATOM 623 CA ILE A 46 15.265 -1.180 -1.203 1.00 0.00 C ATOM 624 C ILE A 46 16.302 -1.639 -0.183 1.00 0.00 C ATOM 625 O ILE A 46 17.498 -1.397 -0.350 1.00 0.00 O ATOM 626 CB ILE A 46 14.816 0.253 -0.856 1.00 0.00 C ATOM 627 CG1 ILE A 46 14.105 0.279 0.499 1.00 0.00 C ATOM 628 CG2 ILE A 46 13.907 0.798 -1.950 1.00 0.00 C ATOM 629 CD1 ILE A 46 13.735 1.670 0.965 1.00 0.00 C ATOM 0 H ILE A 46 13.412 -1.922 -0.560 1.00 0.00 H new ATOM 0 HA ILE A 46 15.719 -1.183 -2.194 1.00 0.00 H new ATOM 0 HB ILE A 46 15.699 0.889 -0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 46 13.201 -0.326 0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 46 14.749 -0.186 1.246 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.596 1.811 -1.694 1.00 0.00 H new ATOM 0 HG22 ILE A 46 14.446 0.813 -2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.027 0.161 -2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.235 1.609 1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 46 14.637 2.274 1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 46 13.066 2.131 0.239 1.00 0.00 H new ATOM 641 N GLU A 47 15.842 -2.301 0.873 1.00 0.00 N ATOM 642 CA GLU A 47 16.737 -2.787 1.918 1.00 0.00 C ATOM 643 C GLU A 47 17.160 -4.226 1.650 1.00 0.00 C ATOM 644 O GLU A 47 18.343 -4.560 1.721 1.00 0.00 O ATOM 645 CB GLU A 47 16.061 -2.688 3.284 1.00 0.00 C ATOM 646 CG GLU A 47 15.564 -1.292 3.614 1.00 0.00 C ATOM 647 CD GLU A 47 15.110 -1.158 5.054 1.00 0.00 C ATOM 648 OE1 GLU A 47 13.966 -1.554 5.356 1.00 0.00 O ATOM 649 OE2 GLU A 47 15.902 -0.657 5.881 1.00 0.00 O ATOM 0 H GLU A 47 14.857 -2.513 1.028 1.00 0.00 H new ATOM 0 HA GLU A 47 17.629 -2.161 1.915 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.220 -3.381 3.316 1.00 0.00 H new ATOM 0 HB3 GLU A 47 16.765 -3.006 4.053 1.00 0.00 H new ATOM 0 HG2 GLU A 47 16.359 -0.572 3.420 1.00 0.00 H new ATOM 0 HG3 GLU A 47 14.736 -1.039 2.951 1.00 0.00 H new ATOM 841 N ARG A 61 7.821 -0.595 -9.300 1.00 0.00 N ATOM 842 CA ARG A 61 7.651 -2.040 -9.190 1.00 0.00 C ATOM 843 C ARG A 61 6.191 -2.423 -9.408 1.00 0.00 C ATOM 844 O ARG A 61 5.865 -3.592 -9.616 1.00 0.00 O ATOM 845 CB ARG A 61 8.127 -2.519 -7.815 1.00 0.00 C ATOM 846 CG ARG A 61 7.998 -4.018 -7.597 1.00 0.00 C ATOM 847 CD ARG A 61 8.809 -4.809 -8.613 1.00 0.00 C ATOM 848 NE ARG A 61 10.162 -4.283 -8.767 1.00 0.00 N ATOM 849 CZ ARG A 61 11.132 -4.924 -9.411 1.00 0.00 C ATOM 850 NH1 ARG A 61 10.901 -6.111 -9.957 1.00 0.00 N ATOM 851 NH2 ARG A 61 12.337 -4.378 -9.511 1.00 0.00 N ATOM 0 HA ARG A 61 8.252 -2.524 -9.960 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.171 -2.233 -7.685 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.556 -2.001 -7.045 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.332 -4.269 -6.590 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.949 -4.306 -7.666 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.860 -5.852 -8.302 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.301 -4.788 -9.577 1.00 0.00 H new ATOM 0 HE ARG A 61 10.375 -3.373 -8.358 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.976 -6.535 -9.883 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.648 -6.600 -10.450 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.520 -3.466 -9.093 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.081 -4.871 -10.005 1.00 0.00 H new ATOM 865 N GLY A 62 5.316 -1.423 -9.364 1.00 0.00 N ATOM 866 CA GLY A 62 3.898 -1.659 -9.557 1.00 0.00 C ATOM 867 C GLY A 62 3.062 -0.473 -9.122 1.00 0.00 C ATOM 868 O GLY A 62 3.485 0.313 -8.275 1.00 0.00 O ATOM 0 H GLY A 62 5.566 -0.448 -9.197 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.706 -1.872 -10.608 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.597 -2.542 -8.993 1.00 0.00 H new ATOM 872 N ILE A 63 1.871 -0.338 -9.700 1.00 0.00 N ATOM 873 CA ILE A 63 0.987 0.769 -9.362 1.00 0.00 C ATOM 874 C ILE A 63 -0.451 0.301 -9.167 1.00 0.00 C ATOM 875 O ILE A 63 -0.931 -0.582 -9.878 1.00 0.00 O ATOM 876 CB ILE A 63 1.000 1.860 -10.452 1.00 0.00 C ATOM 877 CG1 ILE A 63 2.432 2.323 -10.732 1.00 0.00 C ATOM 878 CG2 ILE A 63 0.130 3.036 -10.030 1.00 0.00 C ATOM 879 CD1 ILE A 63 2.524 3.446 -11.744 1.00 0.00 C ATOM 0 H ILE A 63 1.499 -0.979 -10.401 1.00 0.00 H new ATOM 0 HA ILE A 63 1.365 1.183 -8.427 1.00 0.00 H new ATOM 0 HB ILE A 63 0.592 1.439 -11.371 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.887 2.650 -9.797 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.015 1.475 -11.091 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.148 3.799 -10.808 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.894 2.695 -9.879 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.513 3.457 -9.100 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.569 3.720 -11.890 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.099 3.117 -12.692 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.970 4.311 -11.379 1.00 0.00 H new ATOM 891 N LEU A 64 -1.130 0.901 -8.195 1.00 0.00 N ATOM 892 CA LEU A 64 -2.519 0.570 -7.912 1.00 0.00 C ATOM 893 C LEU A 64 -3.433 1.665 -8.448 1.00 0.00 C ATOM 894 O LEU A 64 -3.434 2.785 -7.938 1.00 0.00 O ATOM 895 CB LEU A 64 -2.747 0.401 -6.405 1.00 0.00 C ATOM 896 CG LEU A 64 -2.155 -0.868 -5.777 1.00 0.00 C ATOM 897 CD1 LEU A 64 -2.685 -2.111 -6.475 1.00 0.00 C ATOM 898 CD2 LEU A 64 -0.634 -0.836 -5.824 1.00 0.00 C ATOM 0 H LEU A 64 -0.738 1.621 -7.589 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.751 -0.374 -8.405 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.326 1.267 -5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.820 0.410 -6.216 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.463 -0.904 -4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.253 -2.999 -6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.770 -2.146 -6.382 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.412 -2.080 -7.530 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.237 -1.746 -5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.303 -0.770 -6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.271 0.031 -5.272 1.00 0.00 H new ATOM 910 N ASP A 65 -4.194 1.343 -9.488 1.00 0.00 N ATOM 911 CA ASP A 65 -5.113 2.306 -10.088 1.00 0.00 C ATOM 912 C ASP A 65 -5.999 2.949 -9.024 1.00 0.00 C ATOM 913 O ASP A 65 -6.455 4.082 -9.185 1.00 0.00 O ATOM 914 CB ASP A 65 -5.981 1.622 -11.145 1.00 0.00 C ATOM 915 CG ASP A 65 -5.158 1.016 -12.266 1.00 0.00 C ATOM 916 OD1 ASP A 65 -4.893 1.727 -13.258 1.00 0.00 O ATOM 917 OD2 ASP A 65 -4.778 -0.168 -12.151 1.00 0.00 O ATOM 0 H ASP A 65 -4.194 0.425 -9.933 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.521 3.088 -10.563 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.577 0.841 -10.672 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.680 2.347 -11.562 1.00 0.00 H new ATOM 922 N LEU A 66 -6.238 2.214 -7.939 1.00 0.00 N ATOM 923 CA LEU A 66 -7.070 2.699 -6.839 1.00 0.00 C ATOM 924 C LEU A 66 -8.486 3.016 -7.312 1.00 0.00 C ATOM 925 O LEU A 66 -9.308 3.519 -6.546 1.00 0.00 O ATOM 926 CB LEU A 66 -6.439 3.934 -6.193 1.00 0.00 C ATOM 927 CG LEU A 66 -5.122 3.681 -5.455 1.00 0.00 C ATOM 928 CD1 LEU A 66 -4.516 4.992 -4.979 1.00 0.00 C ATOM 929 CD2 LEU A 66 -5.337 2.734 -4.284 1.00 0.00 C ATOM 0 H LEU A 66 -5.865 1.275 -7.798 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.132 1.905 -6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.266 4.681 -6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.154 4.363 -5.491 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.424 3.213 -6.150 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.580 4.792 -4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.322 5.636 -5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.210 5.489 -4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.389 2.567 -3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.053 3.172 -3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.724 1.783 -4.651 1.00 0.00 H new ATOM 941 N ASN A 67 -8.765 2.722 -8.578 1.00 0.00 N ATOM 942 CA ASN A 67 -10.084 2.964 -9.148 1.00 0.00 C ATOM 943 C ASN A 67 -10.897 1.675 -9.164 1.00 0.00 C ATOM 944 O ASN A 67 -12.109 1.693 -9.384 1.00 0.00 O ATOM 945 CB ASN A 67 -9.957 3.521 -10.567 1.00 0.00 C ATOM 946 CG ASN A 67 -9.199 4.835 -10.610 1.00 0.00 C ATOM 947 OD1 ASN A 67 -9.319 5.626 -9.550 1.00 0.00 O flip ATOM 948 ND2 ASN A 67 -8.515 5.136 -11.589 1.00 0.00 N flip ATOM 0 H ASN A 67 -8.093 2.315 -9.229 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.599 3.698 -8.528 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.448 2.791 -11.196 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.952 3.665 -10.988 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.451 4.498 -12.382 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.013 6.023 -11.607 1.00 0.00 H new ATOM 955 N THR A 68 -10.216 0.556 -8.929 1.00 0.00 N ATOM 956 CA THR A 68 -10.864 -0.748 -8.912 1.00 0.00 C ATOM 957 C THR A 68 -10.319 -1.618 -7.782 1.00 0.00 C ATOM 958 O THR A 68 -9.743 -2.678 -8.026 1.00 0.00 O ATOM 959 CB THR A 68 -10.676 -1.490 -10.249 1.00 0.00 C ATOM 960 OG1 THR A 68 -9.282 -1.597 -10.559 1.00 0.00 O ATOM 961 CG2 THR A 68 -11.396 -0.766 -11.376 1.00 0.00 C ATOM 0 H THR A 68 -9.213 0.529 -8.747 1.00 0.00 H new ATOM 0 HA THR A 68 -11.927 -0.568 -8.752 1.00 0.00 H new ATOM 0 HB THR A 68 -11.103 -2.488 -10.148 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.132 -2.385 -11.122 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.249 -1.309 -12.310 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.461 -0.712 -11.152 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.995 0.243 -11.475 1.00 0.00 H new ATOM 969 N TYR A 69 -10.498 -1.157 -6.549 1.00 0.00 N ATOM 970 CA TYR A 69 -10.031 -1.896 -5.379 1.00 0.00 C ATOM 971 C TYR A 69 -10.894 -1.592 -4.159 1.00 0.00 C ATOM 972 O TYR A 69 -11.733 -0.692 -4.185 1.00 0.00 O ATOM 973 CB TYR A 69 -8.572 -1.556 -5.066 1.00 0.00 C ATOM 974 CG TYR A 69 -7.565 -2.387 -5.829 1.00 0.00 C ATOM 975 CD1 TYR A 69 -7.167 -3.630 -5.354 1.00 0.00 C ATOM 976 CD2 TYR A 69 -7.011 -1.931 -7.018 1.00 0.00 C ATOM 977 CE1 TYR A 69 -6.246 -4.395 -6.042 1.00 0.00 C ATOM 978 CE2 TYR A 69 -6.088 -2.690 -7.713 1.00 0.00 C ATOM 979 CZ TYR A 69 -5.708 -3.921 -7.220 1.00 0.00 C ATOM 980 OH TYR A 69 -4.790 -4.680 -7.909 1.00 0.00 O ATOM 0 H TYR A 69 -10.963 -0.275 -6.333 1.00 0.00 H new ATOM 0 HA TYR A 69 -10.108 -2.958 -5.612 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.400 -0.503 -5.288 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.401 -1.688 -3.998 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.585 -4.004 -4.431 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.306 -0.967 -7.406 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.948 -5.360 -5.659 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.667 -2.321 -8.637 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.511 -4.202 -8.718 1.00 0.00 H new ATOM 990 N ASN A 70 -10.675 -2.352 -3.091 1.00 0.00 N ATOM 991 CA ASN A 70 -11.418 -2.174 -1.849 1.00 0.00 C ATOM 992 C ASN A 70 -10.482 -2.286 -0.649 1.00 0.00 C ATOM 993 O ASN A 70 -9.702 -3.232 -0.547 1.00 0.00 O ATOM 994 CB ASN A 70 -12.532 -3.216 -1.743 1.00 0.00 C ATOM 995 CG ASN A 70 -13.578 -3.063 -2.831 1.00 0.00 C ATOM 996 OD1 ASN A 70 -13.865 -1.954 -3.280 1.00 0.00 O ATOM 997 ND2 ASN A 70 -14.151 -4.180 -3.261 1.00 0.00 N ATOM 0 H ASN A 70 -9.984 -3.102 -3.061 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.865 -1.180 -1.853 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.098 -4.214 -1.799 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.012 -3.132 -0.768 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.861 -4.140 -3.993 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.882 -5.078 -2.860 1.00 0.00 H new ATOM 1004 N VAL A 71 -10.567 -1.321 0.260 1.00 0.00 N ATOM 1005 CA VAL A 71 -9.719 -1.318 1.445 1.00 0.00 C ATOM 1006 C VAL A 71 -10.443 -1.928 2.642 1.00 0.00 C ATOM 1007 O VAL A 71 -11.544 -1.504 2.999 1.00 0.00 O ATOM 1008 CB VAL A 71 -9.260 0.111 1.803 1.00 0.00 C ATOM 1009 CG1 VAL A 71 -8.471 0.116 3.104 1.00 0.00 C ATOM 1010 CG2 VAL A 71 -8.435 0.707 0.673 1.00 0.00 C ATOM 0 H VAL A 71 -11.212 -0.534 0.199 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.843 -1.923 1.211 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.148 0.728 1.943 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.158 1.134 3.336 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.098 -0.264 3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.591 -0.519 2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.121 1.715 0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.556 0.087 0.499 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.037 0.747 -0.235 1.00 0.00 H new ATOM 1020 N VAL A 72 -9.814 -2.924 3.256 1.00 0.00 N ATOM 1021 CA VAL A 72 -10.386 -3.603 4.413 1.00 0.00 C ATOM 1022 C VAL A 72 -9.360 -3.730 5.533 1.00 0.00 C ATOM 1023 O VAL A 72 -8.294 -4.319 5.348 1.00 0.00 O ATOM 1024 CB VAL A 72 -10.911 -5.005 4.045 1.00 0.00 C ATOM 1025 CG1 VAL A 72 -12.324 -4.919 3.488 1.00 0.00 C ATOM 1026 CG2 VAL A 72 -9.979 -5.686 3.057 1.00 0.00 C ATOM 0 H VAL A 72 -8.902 -3.281 2.970 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.223 -2.994 4.756 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.940 -5.609 4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.677 -5.919 3.234 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -12.984 -4.480 4.236 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.325 -4.296 2.594 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.368 -6.674 2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.910 -5.087 2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.989 -5.787 3.501 1.00 0.00 H new ATOM 1036 N LYS A 73 -9.687 -3.174 6.694 1.00 0.00 N ATOM 1037 CA LYS A 73 -8.789 -3.215 7.842 1.00 0.00 C ATOM 1038 C LYS A 73 -8.761 -4.600 8.481 1.00 0.00 C ATOM 1039 O LYS A 73 -9.699 -4.993 9.175 1.00 0.00 O ATOM 1040 CB LYS A 73 -9.211 -2.175 8.882 1.00 0.00 C ATOM 1041 CG LYS A 73 -8.306 -2.131 10.103 1.00 0.00 C ATOM 1042 CD LYS A 73 -8.698 -1.014 11.060 1.00 0.00 C ATOM 1043 CE LYS A 73 -10.066 -1.254 11.683 1.00 0.00 C ATOM 1044 NZ LYS A 73 -11.175 -0.839 10.780 1.00 0.00 N ATOM 0 H LYS A 73 -10.568 -2.689 6.865 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.785 -2.985 7.484 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.224 -1.191 8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.230 -2.388 9.204 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.352 -3.088 10.623 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.273 -1.990 9.784 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.950 -0.932 11.848 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.704 -0.064 10.526 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.173 -2.311 11.925 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.138 -0.704 12.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.830 -0.218 11.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.785 -0.327 9.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.686 -1.682 10.448 1.00 0.00 H new ATOM 1058 N ALA A 74 -7.680 -5.336 8.240 1.00 0.00 N ATOM 1059 CA ALA A 74 -7.521 -6.668 8.809 1.00 0.00 C ATOM 1060 C ALA A 74 -7.092 -6.573 10.274 1.00 0.00 C ATOM 1061 O ALA A 74 -6.039 -6.004 10.582 1.00 0.00 O ATOM 1062 CB ALA A 74 -6.502 -7.468 8.009 1.00 0.00 C ATOM 0 H ALA A 74 -6.902 -5.032 7.655 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.481 -7.183 8.761 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.394 -8.461 8.446 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.841 -7.561 6.977 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.540 -6.956 8.030 1.00 0.00 H new ATOM 1068 N PRO A 75 -7.898 -7.139 11.198 1.00 0.00 N ATOM 1069 CA PRO A 75 -7.608 -7.112 12.633 1.00 0.00 C ATOM 1070 C PRO A 75 -6.524 -8.106 13.028 1.00 0.00 C ATOM 1071 O PRO A 75 -6.289 -9.092 12.329 1.00 0.00 O ATOM 1072 CB PRO A 75 -8.944 -7.497 13.291 1.00 0.00 C ATOM 1073 CG PRO A 75 -9.941 -7.581 12.181 1.00 0.00 C ATOM 1074 CD PRO A 75 -9.158 -7.838 10.929 1.00 0.00 C ATOM 0 HA PRO A 75 -7.233 -6.137 12.943 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -8.861 -8.450 13.814 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -9.244 -6.753 14.029 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.658 -8.382 12.362 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.511 -6.655 12.100 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.003 -8.903 10.758 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.661 -7.443 10.047 1.00 0.00 H new ATOM 1082 N GLN A 76 -5.866 -7.838 14.154 1.00 0.00 N ATOM 1083 CA GLN A 76 -4.804 -8.706 14.652 1.00 0.00 C ATOM 1084 C GLN A 76 -3.706 -8.874 13.608 1.00 0.00 C ATOM 1085 O GLN A 76 -2.844 -9.744 13.731 1.00 0.00 O ATOM 1086 CB GLN A 76 -5.372 -10.072 15.039 1.00 0.00 C ATOM 1087 CG GLN A 76 -6.517 -9.988 16.033 1.00 0.00 C ATOM 1088 CD GLN A 76 -6.945 -11.347 16.553 1.00 0.00 C ATOM 1089 OE1 GLN A 76 -6.804 -12.374 15.722 1.00 0.00 O flip ATOM 1090 NE2 GLN A 76 -7.401 -11.473 17.689 1.00 0.00 N flip ATOM 0 H GLN A 76 -6.051 -7.024 14.740 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.371 -8.239 15.536 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.718 -10.582 14.140 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.575 -10.682 15.465 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.218 -9.361 16.873 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.369 -9.501 15.559 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.492 -10.658 18.295 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.687 -12.393 18.024 1.00 0.00 H new ATOM 1099 N GLY A 77 -3.745 -8.030 12.585 1.00 0.00 N ATOM 1100 CA GLY A 77 -2.756 -8.096 11.527 1.00 0.00 C ATOM 1101 C GLY A 77 -2.753 -9.436 10.821 1.00 0.00 C ATOM 1102 O GLY A 77 -3.632 -10.267 11.047 1.00 0.00 O ATOM 0 H GLY A 77 -4.446 -7.299 12.469 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.951 -7.307 10.801 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.767 -7.907 11.945 1.00 0.00 H new ATOM 1106 N LYS A 78 -1.762 -9.645 9.963 1.00 0.00 N ATOM 1107 CA LYS A 78 -1.642 -10.894 9.223 1.00 0.00 C ATOM 1108 C LYS A 78 -0.186 -11.333 9.139 1.00 0.00 C ATOM 1109 O LYS A 78 0.724 -10.510 9.223 1.00 0.00 O ATOM 1110 CB LYS A 78 -2.230 -10.740 7.820 1.00 0.00 C ATOM 1111 CG LYS A 78 -3.750 -10.757 7.792 1.00 0.00 C ATOM 1112 CD LYS A 78 -4.284 -10.703 6.374 1.00 0.00 C ATOM 1113 CE LYS A 78 -3.980 -11.980 5.615 1.00 0.00 C ATOM 1114 NZ LYS A 78 -4.553 -13.178 6.288 1.00 0.00 N ATOM 0 H LYS A 78 -1.029 -8.964 9.763 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.203 -11.662 9.756 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.877 -9.803 7.388 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.854 -11.544 7.187 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.113 -11.659 8.284 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.134 -9.909 8.358 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.361 -10.540 6.396 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.844 -9.854 5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.381 -11.905 4.604 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.900 -12.098 5.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.612 -13.963 5.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.943 -13.454 7.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.505 -12.955 6.643 1.00 0.00 H new ATOM 1128 N ASN A 79 0.021 -12.638 8.974 1.00 0.00 N ATOM 1129 CA ASN A 79 1.365 -13.204 8.884 1.00 0.00 C ATOM 1130 C ASN A 79 2.116 -13.043 10.204 1.00 0.00 C ATOM 1131 O ASN A 79 2.198 -13.980 10.999 1.00 0.00 O ATOM 1132 CB ASN A 79 2.153 -12.552 7.745 1.00 0.00 C ATOM 1133 CG ASN A 79 1.459 -12.701 6.405 1.00 0.00 C ATOM 1134 OD1 ASN A 79 1.659 -13.686 5.695 1.00 0.00 O ATOM 1135 ND2 ASN A 79 0.639 -11.719 6.051 1.00 0.00 N ATOM 0 H ASN A 79 -0.729 -13.326 8.900 1.00 0.00 H new ATOM 0 HA ASN A 79 1.265 -14.269 8.673 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.293 -11.493 7.963 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.145 -13.000 7.690 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.145 -11.763 5.159 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.502 -10.920 6.671 1.00 0.00 H new ATOM 1142 N GLN A 80 2.661 -11.852 10.433 1.00 0.00 N ATOM 1143 CA GLN A 80 3.405 -11.570 11.657 1.00 0.00 C ATOM 1144 C GLN A 80 3.179 -10.130 12.109 1.00 0.00 C ATOM 1145 O GLN A 80 3.945 -9.593 12.910 1.00 0.00 O ATOM 1146 CB GLN A 80 4.899 -11.817 11.438 1.00 0.00 C ATOM 1147 CG GLN A 80 5.242 -13.268 11.143 1.00 0.00 C ATOM 1148 CD GLN A 80 6.727 -13.485 10.928 1.00 0.00 C ATOM 1149 OE1 GLN A 80 7.469 -13.754 11.873 1.00 0.00 O ATOM 1150 NE2 GLN A 80 7.168 -13.368 9.681 1.00 0.00 N ATOM 0 H GLN A 80 2.601 -11.065 9.786 1.00 0.00 H new ATOM 0 HA GLN A 80 3.042 -12.240 12.437 1.00 0.00 H new ATOM 0 HB2 GLN A 80 5.243 -11.196 10.611 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.445 -11.497 12.326 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.903 -13.893 11.970 1.00 0.00 H new ATOM 0 HG3 GLN A 80 4.699 -13.592 10.255 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.517 -13.144 8.929 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.158 -13.502 9.475 1.00 0.00 H new ATOM 1159 N LYS A 81 2.121 -9.515 11.595 1.00 0.00 N ATOM 1160 CA LYS A 81 1.793 -8.136 11.934 1.00 0.00 C ATOM 1161 C LYS A 81 0.609 -8.064 12.895 1.00 0.00 C ATOM 1162 O LYS A 81 0.008 -9.082 13.237 1.00 0.00 O ATOM 1163 CB LYS A 81 1.470 -7.355 10.661 1.00 0.00 C ATOM 1164 CG LYS A 81 2.666 -7.167 9.749 1.00 0.00 C ATOM 1165 CD LYS A 81 3.685 -6.222 10.362 1.00 0.00 C ATOM 1166 CE LYS A 81 4.916 -6.093 9.484 1.00 0.00 C ATOM 1167 NZ LYS A 81 5.857 -5.058 9.993 1.00 0.00 N ATOM 0 H LYS A 81 1.473 -9.952 10.939 1.00 0.00 H new ATOM 0 HA LYS A 81 2.658 -7.695 12.429 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.684 -7.876 10.114 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.074 -6.377 10.934 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.133 -8.132 9.555 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.335 -6.774 8.788 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.234 -5.240 10.505 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.975 -6.586 11.347 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.427 -7.054 9.433 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.612 -5.839 8.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.684 -5.002 9.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.378 -4.135 10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.168 -5.313 10.952 1.00 0.00 H new ATOM 1181 N SER A 82 0.283 -6.847 13.326 1.00 0.00 N ATOM 1182 CA SER A 82 -0.834 -6.623 14.239 1.00 0.00 C ATOM 1183 C SER A 82 -1.867 -5.706 13.592 1.00 0.00 C ATOM 1184 O SER A 82 -3.052 -5.750 13.921 1.00 0.00 O ATOM 1185 CB SER A 82 -0.338 -6.011 15.550 1.00 0.00 C ATOM 1186 OG SER A 82 -1.411 -5.790 16.449 1.00 0.00 O ATOM 0 H SER A 82 0.780 -5.998 13.056 1.00 0.00 H new ATOM 0 HA SER A 82 -1.301 -7.584 14.457 1.00 0.00 H new ATOM 0 HB2 SER A 82 0.395 -6.674 16.010 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.169 -5.068 15.346 1.00 0.00 H new ATOM 0 HG SER A 82 -1.717 -4.862 16.371 1.00 0.00 H new ATOM 1192 N PHE A 83 -1.397 -4.874 12.667 1.00 0.00 N ATOM 1193 CA PHE A 83 -2.260 -3.945 11.946 1.00 0.00 C ATOM 1194 C PHE A 83 -2.052 -4.116 10.445 1.00 0.00 C ATOM 1195 O PHE A 83 -1.048 -3.657 9.899 1.00 0.00 O ATOM 1196 CB PHE A 83 -1.947 -2.502 12.349 1.00 0.00 C ATOM 1197 CG PHE A 83 -1.698 -2.317 13.820 1.00 0.00 C ATOM 1198 CD1 PHE A 83 -2.679 -2.624 14.751 1.00 0.00 C ATOM 1199 CD2 PHE A 83 -0.480 -1.834 14.270 1.00 0.00 C ATOM 1200 CE1 PHE A 83 -2.447 -2.452 16.102 1.00 0.00 C ATOM 1201 CE2 PHE A 83 -0.243 -1.658 15.618 1.00 0.00 C ATOM 1202 CZ PHE A 83 -1.228 -1.968 16.537 1.00 0.00 C ATOM 0 H PHE A 83 -0.414 -4.825 12.398 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.298 -4.161 12.198 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.070 -2.164 11.797 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.778 -1.864 12.049 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.634 -3.001 14.416 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.294 -1.592 13.557 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.218 -2.696 16.818 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.711 -1.279 15.954 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.045 -1.832 17.593 1.00 0.00 H new ATOM 1212 N VAL A 84 -2.992 -4.778 9.778 1.00 0.00 N ATOM 1213 CA VAL A 84 -2.867 -5.014 8.344 1.00 0.00 C ATOM 1214 C VAL A 84 -4.126 -4.613 7.584 1.00 0.00 C ATOM 1215 O VAL A 84 -5.232 -4.683 8.112 1.00 0.00 O ATOM 1216 CB VAL A 84 -2.558 -6.501 8.055 1.00 0.00 C ATOM 1217 CG1 VAL A 84 -2.746 -6.832 6.581 1.00 0.00 C ATOM 1218 CG2 VAL A 84 -1.149 -6.849 8.504 1.00 0.00 C ATOM 0 H VAL A 84 -3.839 -5.157 10.201 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.042 -4.391 7.999 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.265 -7.104 8.624 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.520 -7.885 6.413 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.778 -6.631 6.292 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.075 -6.217 5.982 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.949 -7.899 8.293 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.432 -6.228 7.967 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.054 -6.670 9.575 1.00 0.00 H new ATOM 1228 N PHE A 85 -3.932 -4.175 6.344 1.00 0.00 N ATOM 1229 CA PHE A 85 -5.031 -3.794 5.469 1.00 0.00 C ATOM 1230 C PHE A 85 -4.932 -4.590 4.175 1.00 0.00 C ATOM 1231 O PHE A 85 -3.840 -4.995 3.778 1.00 0.00 O ATOM 1232 CB PHE A 85 -5.007 -2.293 5.170 1.00 0.00 C ATOM 1233 CG PHE A 85 -5.554 -1.443 6.281 1.00 0.00 C ATOM 1234 CD1 PHE A 85 -4.911 -1.377 7.506 1.00 0.00 C ATOM 1235 CD2 PHE A 85 -6.712 -0.708 6.095 1.00 0.00 C ATOM 1236 CE1 PHE A 85 -5.414 -0.591 8.526 1.00 0.00 C ATOM 1237 CE2 PHE A 85 -7.220 0.080 7.109 1.00 0.00 C ATOM 1238 CZ PHE A 85 -6.570 0.138 8.327 1.00 0.00 C ATOM 0 H PHE A 85 -3.010 -4.075 5.920 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.974 -4.015 5.970 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.980 -1.990 4.965 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.582 -2.104 4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.007 -1.946 7.666 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.225 -0.751 5.145 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.904 -0.547 9.477 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.124 0.650 6.950 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.965 0.753 9.122 1.00 0.00 H new ATOM 1248 N ILE A 86 -6.059 -4.818 3.516 1.00 0.00 N ATOM 1249 CA ILE A 86 -6.054 -5.595 2.284 1.00 0.00 C ATOM 1250 C ILE A 86 -6.802 -4.899 1.154 1.00 0.00 C ATOM 1251 O ILE A 86 -7.909 -4.394 1.338 1.00 0.00 O ATOM 1252 CB ILE A 86 -6.680 -6.985 2.505 1.00 0.00 C ATOM 1253 CG1 ILE A 86 -5.985 -7.704 3.664 1.00 0.00 C ATOM 1254 CG2 ILE A 86 -6.598 -7.813 1.231 1.00 0.00 C ATOM 1255 CD1 ILE A 86 -6.671 -8.988 4.078 1.00 0.00 C ATOM 0 H ILE A 86 -6.977 -4.482 3.808 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.008 -5.697 1.996 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.731 -6.857 2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.957 -7.927 3.378 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.939 -7.033 4.522 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.045 -8.792 1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.137 -7.305 0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.554 -7.936 0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.124 -9.443 4.904 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.691 -8.770 4.395 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.693 -9.677 3.234 1.00 0.00 H new ATOM 1267 N LEU A 87 -6.178 -4.878 -0.017 1.00 0.00 N ATOM 1268 CA LEU A 87 -6.780 -4.285 -1.201 1.00 0.00 C ATOM 1269 C LEU A 87 -7.445 -5.374 -2.032 1.00 0.00 C ATOM 1270 O LEU A 87 -6.808 -6.367 -2.390 1.00 0.00 O ATOM 1271 CB LEU A 87 -5.731 -3.551 -2.041 1.00 0.00 C ATOM 1272 CG LEU A 87 -5.298 -2.184 -1.504 1.00 0.00 C ATOM 1273 CD1 LEU A 87 -4.250 -1.564 -2.416 1.00 0.00 C ATOM 1274 CD2 LEU A 87 -6.496 -1.258 -1.365 1.00 0.00 C ATOM 0 H LEU A 87 -5.248 -5.268 -0.171 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.528 -3.558 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.849 -4.185 -2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.125 -3.418 -3.049 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.859 -2.326 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.952 -0.593 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.379 -2.218 -2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.667 -1.437 -3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.167 -0.292 -0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.965 -1.121 -2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.216 -1.696 -0.674 1.00 0.00 H new ATOM 1286 N GLU A 88 -8.723 -5.189 -2.334 1.00 0.00 N ATOM 1287 CA GLU A 88 -9.471 -6.170 -3.107 1.00 0.00 C ATOM 1288 C GLU A 88 -9.869 -5.603 -4.465 1.00 0.00 C ATOM 1289 O GLU A 88 -10.705 -4.706 -4.545 1.00 0.00 O ATOM 1290 CB GLU A 88 -10.718 -6.610 -2.336 1.00 0.00 C ATOM 1291 CG GLU A 88 -10.409 -7.230 -0.982 1.00 0.00 C ATOM 1292 CD GLU A 88 -11.658 -7.667 -0.243 1.00 0.00 C ATOM 1293 OE1 GLU A 88 -12.220 -6.845 0.511 1.00 0.00 O ATOM 1294 OE2 GLU A 88 -12.075 -8.831 -0.419 1.00 0.00 O ATOM 0 H GLU A 88 -9.263 -4.369 -2.056 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.829 -7.036 -3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.369 -5.748 -2.191 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.272 -7.330 -2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.754 -8.090 -1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.864 -6.509 -0.372 1.00 0.00 H new ATOM 1301 N PRO A 89 -9.284 -6.129 -5.557 1.00 0.00 N ATOM 1302 CA PRO A 89 -9.580 -5.655 -6.914 1.00 0.00 C ATOM 1303 C PRO A 89 -11.045 -5.836 -7.276 1.00 0.00 C ATOM 1304 O PRO A 89 -11.598 -6.929 -7.146 1.00 0.00 O ATOM 1305 CB PRO A 89 -8.699 -6.537 -7.805 1.00 0.00 C ATOM 1306 CG PRO A 89 -8.426 -7.743 -6.977 1.00 0.00 C ATOM 1307 CD PRO A 89 -8.315 -7.238 -5.570 1.00 0.00 C ATOM 0 HA PRO A 89 -9.384 -4.588 -7.024 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.208 -6.799 -8.733 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.776 -6.027 -8.081 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.229 -8.475 -7.070 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.507 -8.237 -7.292 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.568 -8.008 -4.841 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.305 -6.899 -5.338 1.00 0.00 H new ATOM 1315 N LYS A 90 -11.672 -4.759 -7.732 1.00 0.00 N ATOM 1316 CA LYS A 90 -13.074 -4.804 -8.113 1.00 0.00 C ATOM 1317 C LYS A 90 -13.244 -5.477 -9.469 1.00 0.00 C ATOM 1318 O LYS A 90 -14.341 -5.504 -10.027 1.00 0.00 O ATOM 1319 CB LYS A 90 -13.662 -3.391 -8.151 1.00 0.00 C ATOM 1320 CG LYS A 90 -13.542 -2.647 -6.830 1.00 0.00 C ATOM 1321 CD LYS A 90 -14.141 -1.251 -6.917 1.00 0.00 C ATOM 1322 CE LYS A 90 -15.645 -1.297 -7.140 1.00 0.00 C ATOM 1323 NZ LYS A 90 -16.239 0.067 -7.210 1.00 0.00 N ATOM 0 H LYS A 90 -11.231 -3.846 -7.846 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.610 -5.390 -7.366 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.158 -2.817 -8.929 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.714 -3.451 -8.430 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.047 -3.212 -6.046 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.492 -2.576 -6.546 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.926 -0.705 -5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.669 -0.703 -7.732 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.858 -1.834 -8.064 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.115 -1.856 -6.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.265 -0.009 -7.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -16.058 0.571 -6.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.810 0.593 -7.998 1.00 0.00 H new ATOM 1337 N GLN A 91 -12.151 -6.023 -9.994 1.00 0.00 N ATOM 1338 CA GLN A 91 -12.181 -6.700 -11.283 1.00 0.00 C ATOM 1339 C GLN A 91 -11.995 -8.201 -11.103 1.00 0.00 C ATOM 1340 O GLN A 91 -10.946 -8.655 -10.649 1.00 0.00 O ATOM 1341 CB GLN A 91 -11.099 -6.137 -12.204 1.00 0.00 C ATOM 1342 CG GLN A 91 -9.753 -5.977 -11.521 1.00 0.00 C ATOM 1343 CD GLN A 91 -8.747 -5.233 -12.376 1.00 0.00 C ATOM 1344 OE1 GLN A 91 -8.717 -3.912 -12.239 1.00 0.00 O flip ATOM 1345 NE2 GLN A 91 -8.006 -5.837 -13.152 1.00 0.00 N flip ATOM 0 H GLN A 91 -11.235 -6.009 -9.546 1.00 0.00 H new ATOM 0 HA GLN A 91 -13.154 -6.526 -11.742 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.986 -6.796 -13.065 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -11.423 -5.168 -12.584 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -9.889 -5.443 -10.580 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -9.356 -6.962 -11.275 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -8.063 -6.853 -13.225 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -7.335 -5.322 -13.722 1.00 0.00 H new ATOM 1354 N GLN A 92 -13.032 -8.956 -11.459 1.00 0.00 N ATOM 1355 CA GLN A 92 -13.022 -10.417 -11.344 1.00 0.00 C ATOM 1356 C GLN A 92 -12.373 -10.868 -10.037 1.00 0.00 C ATOM 1357 O GLN A 92 -12.336 -10.119 -9.059 1.00 0.00 O ATOM 1358 CB GLN A 92 -12.307 -11.052 -12.544 1.00 0.00 C ATOM 1359 CG GLN A 92 -10.819 -10.753 -12.615 1.00 0.00 C ATOM 1360 CD GLN A 92 -10.146 -11.422 -13.797 1.00 0.00 C ATOM 1361 OE1 GLN A 92 -9.668 -12.552 -13.697 1.00 0.00 O ATOM 1362 NE2 GLN A 92 -10.104 -10.725 -14.926 1.00 0.00 N ATOM 0 H GLN A 92 -13.901 -8.576 -11.834 1.00 0.00 H new ATOM 0 HA GLN A 92 -14.058 -10.754 -11.338 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -12.447 -12.132 -12.506 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.780 -10.702 -13.461 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -10.671 -9.675 -12.680 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.341 -11.085 -11.693 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -10.513 -9.791 -14.964 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -9.663 -11.123 -15.755 1.00 0.00 H new ATOM 1371 N GLY A 93 -11.873 -12.100 -10.019 1.00 0.00 N ATOM 1372 CA GLY A 93 -11.236 -12.623 -8.826 1.00 0.00 C ATOM 1373 C GLY A 93 -9.730 -12.443 -8.846 1.00 0.00 C ATOM 1374 O GLY A 93 -8.985 -13.379 -8.553 1.00 0.00 O ATOM 0 H GLY A 93 -11.898 -12.744 -10.809 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.647 -12.122 -7.949 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -11.471 -13.683 -8.727 1.00 0.00 H new ATOM 1378 N ASP A 94 -9.281 -11.240 -9.192 1.00 0.00 N ATOM 1379 CA ASP A 94 -7.853 -10.947 -9.246 1.00 0.00 C ATOM 1380 C ASP A 94 -7.202 -11.119 -7.873 1.00 0.00 C ATOM 1381 O ASP A 94 -7.887 -11.181 -6.852 1.00 0.00 O ATOM 1382 CB ASP A 94 -7.614 -9.528 -9.770 1.00 0.00 C ATOM 1383 CG ASP A 94 -7.686 -9.451 -11.283 1.00 0.00 C ATOM 1384 OD1 ASP A 94 -6.761 -9.963 -11.947 1.00 0.00 O ATOM 1385 OD2 ASP A 94 -8.663 -8.876 -11.804 1.00 0.00 O ATOM 0 H ASP A 94 -9.884 -10.455 -9.438 1.00 0.00 H new ATOM 0 HA ASP A 94 -7.393 -11.658 -9.933 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.355 -8.855 -9.339 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.636 -9.181 -9.437 1.00 0.00 H new ATOM 1390 N PRO A 95 -5.860 -11.197 -7.842 1.00 0.00 N ATOM 1391 CA PRO A 95 -5.089 -11.374 -6.601 1.00 0.00 C ATOM 1392 C PRO A 95 -5.192 -10.181 -5.647 1.00 0.00 C ATOM 1393 O PRO A 95 -5.226 -9.031 -6.084 1.00 0.00 O ATOM 1394 CB PRO A 95 -3.650 -11.507 -7.106 1.00 0.00 C ATOM 1395 CG PRO A 95 -3.657 -10.798 -8.412 1.00 0.00 C ATOM 1396 CD PRO A 95 -4.980 -11.119 -9.019 1.00 0.00 C ATOM 0 HA PRO A 95 -5.454 -12.225 -6.025 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.941 -11.057 -6.412 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.363 -12.552 -7.221 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.535 -9.723 -8.278 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.839 -11.135 -9.048 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -5.304 -10.347 -9.717 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -4.956 -12.059 -9.571 1.00 0.00 H new ATOM 1404 N PRO A 96 -5.245 -10.446 -4.326 1.00 0.00 N ATOM 1405 CA PRO A 96 -5.323 -9.402 -3.309 1.00 0.00 C ATOM 1406 C PRO A 96 -3.938 -8.913 -2.887 1.00 0.00 C ATOM 1407 O PRO A 96 -2.928 -9.531 -3.224 1.00 0.00 O ATOM 1408 CB PRO A 96 -6.015 -10.118 -2.155 1.00 0.00 C ATOM 1409 CG PRO A 96 -5.556 -11.535 -2.261 1.00 0.00 C ATOM 1410 CD PRO A 96 -5.239 -11.790 -3.717 1.00 0.00 C ATOM 0 HA PRO A 96 -5.845 -8.510 -3.656 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.738 -9.682 -1.195 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -7.100 -10.045 -2.237 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -4.676 -11.703 -1.640 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.329 -12.218 -1.909 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.271 -12.277 -3.835 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.982 -12.441 -4.179 1.00 0.00 H new ATOM 1418 N VAL A 97 -3.893 -7.805 -2.152 1.00 0.00 N ATOM 1419 CA VAL A 97 -2.621 -7.251 -1.691 1.00 0.00 C ATOM 1420 C VAL A 97 -2.694 -6.843 -0.221 1.00 0.00 C ATOM 1421 O VAL A 97 -3.594 -6.109 0.184 1.00 0.00 O ATOM 1422 CB VAL A 97 -2.201 -6.029 -2.533 1.00 0.00 C ATOM 1423 CG1 VAL A 97 -0.789 -5.593 -2.172 1.00 0.00 C ATOM 1424 CG2 VAL A 97 -2.307 -6.337 -4.018 1.00 0.00 C ATOM 0 H VAL A 97 -4.716 -7.275 -1.864 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.875 -8.037 -1.808 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.881 -5.207 -2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.509 -4.730 -2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.750 -5.325 -1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.095 -6.411 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.006 -5.462 -4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.654 -7.175 -4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.337 -6.596 -4.263 1.00 0.00 H new ATOM 1434 N GLU A 98 -1.739 -7.322 0.573 1.00 0.00 N ATOM 1435 CA GLU A 98 -1.697 -7.009 1.998 1.00 0.00 C ATOM 1436 C GLU A 98 -0.663 -5.926 2.298 1.00 0.00 C ATOM 1437 O GLU A 98 0.404 -5.884 1.687 1.00 0.00 O ATOM 1438 CB GLU A 98 -1.369 -8.264 2.809 1.00 0.00 C ATOM 1439 CG GLU A 98 -2.488 -9.291 2.838 1.00 0.00 C ATOM 1440 CD GLU A 98 -2.861 -9.796 1.459 1.00 0.00 C ATOM 1441 OE1 GLU A 98 -2.155 -10.688 0.943 1.00 0.00 O ATOM 1442 OE2 GLU A 98 -3.858 -9.301 0.894 1.00 0.00 O ATOM 0 H GLU A 98 -0.984 -7.928 0.253 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.681 -6.637 2.283 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.474 -8.728 2.395 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.132 -7.971 3.832 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.184 -10.134 3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.367 -8.850 3.308 1.00 0.00 H new ATOM 1449 N PHE A 99 -0.994 -5.052 3.245 1.00 0.00 N ATOM 1450 CA PHE A 99 -0.096 -3.971 3.645 1.00 0.00 C ATOM 1451 C PHE A 99 0.026 -3.911 5.167 1.00 0.00 C ATOM 1452 O PHE A 99 -0.804 -4.469 5.885 1.00 0.00 O ATOM 1453 CB PHE A 99 -0.612 -2.627 3.130 1.00 0.00 C ATOM 1454 CG PHE A 99 -0.776 -2.549 1.640 1.00 0.00 C ATOM 1455 CD1 PHE A 99 -1.862 -3.139 1.017 1.00 0.00 C ATOM 1456 CD2 PHE A 99 0.150 -1.870 0.865 1.00 0.00 C ATOM 1457 CE1 PHE A 99 -2.022 -3.056 -0.351 1.00 0.00 C ATOM 1458 CE2 PHE A 99 -0.004 -1.785 -0.505 1.00 0.00 C ATOM 1459 CZ PHE A 99 -1.091 -2.378 -1.115 1.00 0.00 C ATOM 0 H PHE A 99 -1.879 -5.071 3.751 1.00 0.00 H new ATOM 0 HA PHE A 99 0.884 -4.171 3.212 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.573 -2.418 3.599 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.075 -1.843 3.448 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.593 -3.671 1.609 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.001 -1.402 1.337 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.874 -3.521 -0.824 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.726 -1.255 -1.099 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.214 -2.312 -2.186 1.00 0.00 H new ATOM 1469 N ALA A 100 1.061 -3.230 5.658 1.00 0.00 N ATOM 1470 CA ALA A 100 1.271 -3.101 7.099 1.00 0.00 C ATOM 1471 C ALA A 100 2.168 -1.911 7.432 1.00 0.00 C ATOM 1472 O ALA A 100 2.949 -1.455 6.597 1.00 0.00 O ATOM 1473 CB ALA A 100 1.866 -4.381 7.663 1.00 0.00 C ATOM 0 H ALA A 100 1.762 -2.762 5.084 1.00 0.00 H new ATOM 0 HA ALA A 100 0.299 -2.925 7.560 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.017 -4.270 8.737 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.186 -5.212 7.476 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.823 -4.581 7.181 1.00 0.00 H new ATOM 1479 N THR A 101 2.046 -1.415 8.662 1.00 0.00 N ATOM 1480 CA THR A 101 2.849 -0.285 9.121 1.00 0.00 C ATOM 1481 C THR A 101 3.615 -0.642 10.391 1.00 0.00 C ATOM 1482 O THR A 101 3.601 -1.791 10.833 1.00 0.00 O ATOM 1483 CB THR A 101 1.981 0.957 9.400 1.00 0.00 C ATOM 1484 OG1 THR A 101 0.910 0.617 10.288 1.00 0.00 O ATOM 1485 CG2 THR A 101 1.417 1.532 8.111 1.00 0.00 C ATOM 0 H THR A 101 1.397 -1.779 9.359 1.00 0.00 H new ATOM 0 HA THR A 101 3.550 -0.054 8.319 1.00 0.00 H new ATOM 0 HB THR A 101 2.613 1.714 9.865 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.996 1.133 11.117 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.809 2.407 8.339 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.236 1.821 7.452 1.00 0.00 H new ATOM 0 HG23 THR A 101 0.801 0.781 7.616 1.00 0.00 H new ATOM 1493 N ASP A 102 4.281 0.351 10.972 1.00 0.00 N ATOM 1494 CA ASP A 102 5.050 0.146 12.190 1.00 0.00 C ATOM 1495 C ASP A 102 4.435 0.902 13.363 1.00 0.00 C ATOM 1496 O ASP A 102 4.806 0.684 14.516 1.00 0.00 O ATOM 1497 CB ASP A 102 6.495 0.601 11.979 1.00 0.00 C ATOM 1498 CG ASP A 102 6.586 1.915 11.230 1.00 0.00 C ATOM 1499 OD1 ASP A 102 6.363 1.915 10.001 1.00 0.00 O ATOM 1500 OD2 ASP A 102 6.885 2.944 11.872 1.00 0.00 O ATOM 0 H ASP A 102 4.302 1.307 10.616 1.00 0.00 H new ATOM 0 HA ASP A 102 5.035 -0.918 12.425 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.985 0.704 12.947 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.037 -0.167 11.427 1.00 0.00 H new ATOM 1505 N ARG A 103 3.493 1.792 13.064 1.00 0.00 N ATOM 1506 CA ARG A 103 2.832 2.582 14.097 1.00 0.00 C ATOM 1507 C ARG A 103 1.348 2.750 13.790 1.00 0.00 C ATOM 1508 O ARG A 103 0.880 2.383 12.711 1.00 0.00 O ATOM 1509 CB ARG A 103 3.493 3.956 14.224 1.00 0.00 C ATOM 1510 CG ARG A 103 5.014 3.905 14.241 1.00 0.00 C ATOM 1511 CD ARG A 103 5.611 5.216 14.723 1.00 0.00 C ATOM 1512 NE ARG A 103 5.237 6.337 13.866 1.00 0.00 N ATOM 1513 CZ ARG A 103 5.599 7.596 14.096 1.00 0.00 C ATOM 1514 NH1 ARG A 103 6.343 7.892 15.153 1.00 0.00 N ATOM 1515 NH2 ARG A 103 5.218 8.560 13.269 1.00 0.00 N ATOM 0 H ARG A 103 3.171 1.984 12.115 1.00 0.00 H new ATOM 0 HA ARG A 103 2.933 2.048 15.042 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.169 4.583 13.394 1.00 0.00 H new ATOM 0 HB3 ARG A 103 3.144 4.434 15.140 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.344 3.094 14.890 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.383 3.683 13.240 1.00 0.00 H new ATOM 0 HD2 ARG A 103 5.278 5.412 15.742 1.00 0.00 H new ATOM 0 HD3 ARG A 103 6.697 5.130 14.753 1.00 0.00 H new ATOM 0 HE ARG A 103 4.665 6.144 13.044 1.00 0.00 H new ATOM 0 HH11 ARG A 103 6.639 7.154 15.791 1.00 0.00 H new ATOM 0 HH12 ARG A 103 6.620 8.858 15.328 1.00 0.00 H new ATOM 0 HH21 ARG A 103 4.646 8.337 12.454 1.00 0.00 H new ATOM 0 HH22 ARG A 103 5.497 9.525 13.447 1.00 0.00 H new ATOM 1529 N VAL A 104 0.611 3.308 14.746 1.00 0.00 N ATOM 1530 CA VAL A 104 -0.821 3.527 14.581 1.00 0.00 C ATOM 1531 C VAL A 104 -1.093 4.753 13.714 1.00 0.00 C ATOM 1532 O VAL A 104 -2.004 4.749 12.885 1.00 0.00 O ATOM 1533 CB VAL A 104 -1.521 3.708 15.943 1.00 0.00 C ATOM 1534 CG1 VAL A 104 -3.018 3.899 15.756 1.00 0.00 C ATOM 1535 CG2 VAL A 104 -1.237 2.520 16.849 1.00 0.00 C ATOM 0 H VAL A 104 0.983 3.617 15.644 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.223 2.641 14.089 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.123 4.604 16.419 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -3.493 4.025 16.729 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -3.198 4.785 15.147 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -3.437 3.025 15.258 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.739 2.664 17.806 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.606 1.608 16.380 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.163 2.435 17.012 1.00 0.00 H new ATOM 1545 N GLU A 105 -0.298 5.800 13.910 1.00 0.00 N ATOM 1546 CA GLU A 105 -0.454 7.034 13.145 1.00 0.00 C ATOM 1547 C GLU A 105 -0.205 6.790 11.660 1.00 0.00 C ATOM 1548 O GLU A 105 -1.029 7.146 10.818 1.00 0.00 O ATOM 1549 CB GLU A 105 0.504 8.106 13.666 1.00 0.00 C ATOM 1550 CG GLU A 105 0.288 8.458 15.129 1.00 0.00 C ATOM 1551 CD GLU A 105 1.253 9.518 15.622 1.00 0.00 C ATOM 1552 OE1 GLU A 105 0.919 10.717 15.522 1.00 0.00 O ATOM 1553 OE2 GLU A 105 2.340 9.149 16.111 1.00 0.00 O ATOM 0 H GLU A 105 0.461 5.820 14.591 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.480 7.382 13.270 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.529 7.761 13.532 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.389 9.007 13.064 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.734 8.810 15.267 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.400 7.559 15.736 1.00 0.00 H new ATOM 1560 N GLU A 106 0.936 6.184 11.346 1.00 0.00 N ATOM 1561 CA GLU A 106 1.287 5.890 9.961 1.00 0.00 C ATOM 1562 C GLU A 106 0.242 4.983 9.326 1.00 0.00 C ATOM 1563 O GLU A 106 0.045 4.996 8.111 1.00 0.00 O ATOM 1564 CB GLU A 106 2.662 5.223 9.887 1.00 0.00 C ATOM 1565 CG GLU A 106 3.754 5.989 10.613 1.00 0.00 C ATOM 1566 CD GLU A 106 3.950 7.389 10.063 1.00 0.00 C ATOM 1567 OE1 GLU A 106 4.764 7.552 9.130 1.00 0.00 O ATOM 1568 OE2 GLU A 106 3.290 8.322 10.567 1.00 0.00 O ATOM 0 H GLU A 106 1.632 5.888 12.030 1.00 0.00 H new ATOM 0 HA GLU A 106 1.319 6.831 9.412 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.592 4.220 10.309 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.945 5.110 8.840 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.506 6.051 11.673 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.691 5.438 10.536 1.00 0.00 H new ATOM 1575 N LEU A 107 -0.426 4.193 10.160 1.00 0.00 N ATOM 1576 CA LEU A 107 -1.452 3.273 9.687 1.00 0.00 C ATOM 1577 C LEU A 107 -2.670 4.033 9.179 1.00 0.00 C ATOM 1578 O LEU A 107 -3.079 3.875 8.030 1.00 0.00 O ATOM 1579 CB LEU A 107 -1.878 2.329 10.814 1.00 0.00 C ATOM 1580 CG LEU A 107 -2.819 1.201 10.388 1.00 0.00 C ATOM 1581 CD1 LEU A 107 -2.025 -0.057 10.086 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -3.857 0.925 11.463 1.00 0.00 C ATOM 0 H LEU A 107 -0.274 4.172 11.168 1.00 0.00 H new ATOM 0 HA LEU A 107 -1.030 2.693 8.866 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.984 1.889 11.257 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.366 2.914 11.594 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.342 1.514 9.484 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -2.706 -0.853 9.784 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.320 0.143 9.280 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.479 -0.365 10.978 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.514 0.119 11.136 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.356 0.633 12.386 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.447 1.825 11.639 1.00 0.00 H new ATOM 1594 N PHE A 108 -3.238 4.866 10.042 1.00 0.00 N ATOM 1595 CA PHE A 108 -4.420 5.639 9.688 1.00 0.00 C ATOM 1596 C PHE A 108 -4.110 6.679 8.618 1.00 0.00 C ATOM 1597 O PHE A 108 -4.982 7.056 7.850 1.00 0.00 O ATOM 1598 CB PHE A 108 -4.996 6.327 10.926 1.00 0.00 C ATOM 1599 CG PHE A 108 -6.491 6.221 11.027 1.00 0.00 C ATOM 1600 CD1 PHE A 108 -7.087 5.035 11.426 1.00 0.00 C ATOM 1601 CD2 PHE A 108 -7.297 7.305 10.725 1.00 0.00 C ATOM 1602 CE1 PHE A 108 -8.462 4.934 11.520 1.00 0.00 C ATOM 1603 CE2 PHE A 108 -8.673 7.209 10.817 1.00 0.00 C ATOM 1604 CZ PHE A 108 -9.256 6.021 11.215 1.00 0.00 C ATOM 0 H PHE A 108 -2.899 5.023 10.991 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.157 4.945 9.283 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -4.547 5.889 11.818 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.714 7.380 10.912 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -6.471 4.181 11.666 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.846 8.236 10.414 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -8.915 4.005 11.832 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -9.292 8.061 10.578 1.00 0.00 H new ATOM 0 HZ PHE A 108 -10.331 5.943 11.287 1.00 0.00 H new ATOM 1614 N GLU A 109 -2.871 7.140 8.566 1.00 0.00 N ATOM 1615 CA GLU A 109 -2.483 8.149 7.587 1.00 0.00 C ATOM 1616 C GLU A 109 -2.439 7.574 6.170 1.00 0.00 C ATOM 1617 O GLU A 109 -3.138 8.050 5.271 1.00 0.00 O ATOM 1618 CB GLU A 109 -1.116 8.733 7.953 1.00 0.00 C ATOM 1619 CG GLU A 109 -0.622 9.793 6.984 1.00 0.00 C ATOM 1620 CD GLU A 109 -1.529 11.007 6.932 1.00 0.00 C ATOM 1621 OE1 GLU A 109 -1.303 11.950 7.720 1.00 0.00 O ATOM 1622 OE2 GLU A 109 -2.464 11.015 6.104 1.00 0.00 O ATOM 0 H GLU A 109 -2.119 6.836 9.185 1.00 0.00 H new ATOM 0 HA GLU A 109 -3.236 8.937 7.605 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.172 9.165 8.952 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.386 7.925 7.996 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.381 10.106 7.275 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.544 9.360 5.987 1.00 0.00 H new ATOM 1629 N TRP A 110 -1.629 6.541 5.984 1.00 0.00 N ATOM 1630 CA TRP A 110 -1.468 5.911 4.676 1.00 0.00 C ATOM 1631 C TRP A 110 -2.718 5.157 4.229 1.00 0.00 C ATOM 1632 O TRP A 110 -3.185 5.329 3.104 1.00 0.00 O ATOM 1633 CB TRP A 110 -0.280 4.950 4.706 1.00 0.00 C ATOM 1634 CG TRP A 110 1.000 5.573 4.245 1.00 0.00 C ATOM 1635 CD1 TRP A 110 1.995 6.083 5.029 1.00 0.00 C ATOM 1636 CD2 TRP A 110 1.425 5.751 2.889 1.00 0.00 C ATOM 1637 NE1 TRP A 110 3.012 6.567 4.243 1.00 0.00 N ATOM 1638 CE2 TRP A 110 2.686 6.374 2.926 1.00 0.00 C ATOM 1639 CE3 TRP A 110 0.862 5.443 1.648 1.00 0.00 C ATOM 1640 CZ2 TRP A 110 3.391 6.694 1.770 1.00 0.00 C ATOM 1641 CZ3 TRP A 110 1.563 5.761 0.501 1.00 0.00 C ATOM 1642 CH2 TRP A 110 2.817 6.380 0.569 1.00 0.00 C ATOM 0 H TRP A 110 -1.070 6.118 6.725 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.293 6.711 3.956 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.149 4.578 5.722 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.503 4.088 4.077 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.984 6.103 6.109 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.870 7.000 4.584 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.104 4.965 1.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.357 7.173 1.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.137 5.528 -0.464 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.342 6.614 -0.345 1.00 0.00 H new ATOM 1653 N PHE A 111 -3.255 4.325 5.111 1.00 0.00 N ATOM 1654 CA PHE A 111 -4.425 3.516 4.786 1.00 0.00 C ATOM 1655 C PHE A 111 -5.681 4.354 4.565 1.00 0.00 C ATOM 1656 O PHE A 111 -6.542 3.978 3.769 1.00 0.00 O ATOM 1657 CB PHE A 111 -4.629 2.455 5.865 1.00 0.00 C ATOM 1658 CG PHE A 111 -3.565 1.399 5.792 1.00 0.00 C ATOM 1659 CD1 PHE A 111 -3.351 0.716 4.609 1.00 0.00 C ATOM 1660 CD2 PHE A 111 -2.763 1.112 6.882 1.00 0.00 C ATOM 1661 CE1 PHE A 111 -2.363 -0.239 4.514 1.00 0.00 C ATOM 1662 CE2 PHE A 111 -1.768 0.156 6.791 1.00 0.00 C ATOM 1663 CZ PHE A 111 -1.569 -0.520 5.606 1.00 0.00 C ATOM 0 H PHE A 111 -2.900 4.192 6.058 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.237 3.020 3.834 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.613 2.924 6.849 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.610 1.996 5.747 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.966 0.934 3.749 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.915 1.639 7.812 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.210 -0.768 3.585 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.147 -0.061 7.648 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.793 -1.268 5.533 1.00 0.00 H new ATOM 1673 N GLN A 112 -5.800 5.483 5.257 1.00 0.00 N ATOM 1674 CA GLN A 112 -6.961 6.347 5.073 1.00 0.00 C ATOM 1675 C GLN A 112 -6.889 7.009 3.702 1.00 0.00 C ATOM 1676 O GLN A 112 -7.911 7.217 3.050 1.00 0.00 O ATOM 1677 CB GLN A 112 -7.036 7.401 6.180 1.00 0.00 C ATOM 1678 CG GLN A 112 -8.372 8.121 6.269 1.00 0.00 C ATOM 1679 CD GLN A 112 -8.556 9.162 5.183 1.00 0.00 C ATOM 1680 OE1 GLN A 112 -7.588 9.751 4.702 1.00 0.00 O ATOM 1681 NE2 GLN A 112 -9.804 9.396 4.794 1.00 0.00 N ATOM 0 H GLN A 112 -5.119 5.817 5.939 1.00 0.00 H new ATOM 0 HA GLN A 112 -7.866 5.742 5.130 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -6.831 6.921 7.137 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -6.249 8.138 6.018 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -9.178 7.390 6.204 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -8.455 8.602 7.244 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -10.576 8.884 5.221 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -9.991 10.088 4.068 1.00 0.00 H new ATOM 1690 N SER A 113 -5.669 7.333 3.268 1.00 0.00 N ATOM 1691 CA SER A 113 -5.460 7.953 1.962 1.00 0.00 C ATOM 1692 C SER A 113 -5.773 6.961 0.846 1.00 0.00 C ATOM 1693 O SER A 113 -6.495 7.287 -0.097 1.00 0.00 O ATOM 1694 CB SER A 113 -4.019 8.451 1.831 1.00 0.00 C ATOM 1695 OG SER A 113 -3.804 9.067 0.573 1.00 0.00 O ATOM 0 H SER A 113 -4.814 7.176 3.802 1.00 0.00 H new ATOM 0 HA SER A 113 -6.135 8.805 1.875 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.803 9.161 2.629 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.330 7.615 1.953 1.00 0.00 H new ATOM 0 HG SER A 113 -2.876 9.378 0.515 1.00 0.00 H new ATOM 1701 N ILE A 114 -5.218 5.751 0.945 1.00 0.00 N ATOM 1702 CA ILE A 114 -5.475 4.721 -0.056 1.00 0.00 C ATOM 1703 C ILE A 114 -6.978 4.526 -0.205 1.00 0.00 C ATOM 1704 O ILE A 114 -7.485 4.259 -1.295 1.00 0.00 O ATOM 1705 CB ILE A 114 -4.817 3.372 0.319 1.00 0.00 C ATOM 1706 CG1 ILE A 114 -3.291 3.514 0.369 1.00 0.00 C ATOM 1707 CG2 ILE A 114 -5.224 2.291 -0.675 1.00 0.00 C ATOM 1708 CD1 ILE A 114 -2.564 2.229 0.723 1.00 0.00 C ATOM 0 H ILE A 114 -4.595 5.465 1.700 1.00 0.00 H new ATOM 0 HA ILE A 114 -5.038 5.054 -0.997 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.165 3.079 1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -2.937 3.865 -0.600 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.031 4.280 1.100 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -4.754 1.347 -0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.308 2.174 -0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.902 2.578 -1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.489 2.411 0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -2.888 1.887 1.706 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.792 1.465 -0.021 1.00 0.00 H new ATOM 1720 N ARG A 115 -7.678 4.667 0.914 1.00 0.00 N ATOM 1721 CA ARG A 115 -9.128 4.536 0.949 1.00 0.00 C ATOM 1722 C ARG A 115 -9.787 5.788 0.381 1.00 0.00 C ATOM 1723 O ARG A 115 -10.843 5.720 -0.243 1.00 0.00 O ATOM 1724 CB ARG A 115 -9.584 4.293 2.388 1.00 0.00 C ATOM 1725 CG ARG A 115 -11.069 4.508 2.617 1.00 0.00 C ATOM 1726 CD ARG A 115 -11.512 3.949 3.958 1.00 0.00 C ATOM 1727 NE ARG A 115 -12.927 4.198 4.217 1.00 0.00 N ATOM 1728 CZ ARG A 115 -13.589 3.687 5.251 1.00 0.00 C ATOM 1729 NH1 ARG A 115 -12.966 2.902 6.119 1.00 0.00 N ATOM 1730 NH2 ARG A 115 -14.876 3.962 5.418 1.00 0.00 N ATOM 0 H ARG A 115 -7.257 4.875 1.820 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.427 3.687 0.334 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.329 3.272 2.670 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -9.026 4.955 3.050 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -11.294 5.574 2.573 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -11.635 4.030 1.817 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -11.323 2.876 3.983 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -10.914 4.397 4.752 1.00 0.00 H new ATOM 0 HE ARG A 115 -13.437 4.798 3.568 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -11.976 2.689 5.995 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -13.476 2.512 6.911 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -15.359 4.566 4.753 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -15.383 3.569 6.211 1.00 0.00 H new ATOM 1744 N GLU A 116 -9.143 6.928 0.596 1.00 0.00 N ATOM 1745 CA GLU A 116 -9.651 8.204 0.104 1.00 0.00 C ATOM 1746 C GLU A 116 -9.832 8.168 -1.410 1.00 0.00 C ATOM 1747 O GLU A 116 -10.557 8.983 -1.980 1.00 0.00 O ATOM 1748 CB GLU A 116 -8.689 9.336 0.483 1.00 0.00 C ATOM 1749 CG GLU A 116 -8.915 9.896 1.876 1.00 0.00 C ATOM 1750 CD GLU A 116 -8.061 11.116 2.157 1.00 0.00 C ATOM 1751 OE1 GLU A 116 -6.853 10.947 2.431 1.00 0.00 O ATOM 1752 OE2 GLU A 116 -8.598 12.242 2.104 1.00 0.00 O ATOM 0 H GLU A 116 -8.264 6.996 1.110 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.621 8.385 0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -7.665 8.969 0.412 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.789 10.143 -0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.967 10.158 1.992 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.695 9.125 2.614 1.00 0.00 H new ATOM 1759 N ILE A 117 -9.165 7.217 -2.053 1.00 0.00 N ATOM 1760 CA ILE A 117 -9.238 7.072 -3.502 1.00 0.00 C ATOM 1761 C ILE A 117 -10.026 5.827 -3.913 1.00 0.00 C ATOM 1762 O ILE A 117 -10.530 5.748 -5.034 1.00 0.00 O ATOM 1763 CB ILE A 117 -7.828 7.013 -4.123 1.00 0.00 C ATOM 1764 CG1 ILE A 117 -7.012 8.234 -3.687 1.00 0.00 C ATOM 1765 CG2 ILE A 117 -7.919 6.946 -5.641 1.00 0.00 C ATOM 1766 CD1 ILE A 117 -5.553 8.166 -4.085 1.00 0.00 C ATOM 0 H ILE A 117 -8.565 6.533 -1.592 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.762 7.950 -3.878 1.00 0.00 H new ATOM 0 HB ILE A 117 -7.325 6.112 -3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.456 9.130 -4.121 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -7.079 8.337 -2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.915 6.905 -6.064 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -8.473 6.054 -5.933 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -8.434 7.831 -6.014 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -5.040 9.065 -3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -5.092 7.289 -3.630 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.475 8.095 -5.170 1.00 0.00 H new ATOM 1778 N THR A 118 -10.142 4.859 -3.005 1.00 0.00 N ATOM 1779 CA THR A 118 -10.851 3.620 -3.306 1.00 0.00 C ATOM 1780 C THR A 118 -12.181 3.570 -2.575 1.00 0.00 C ATOM 1781 O THR A 118 -12.838 2.529 -2.521 1.00 0.00 O ATOM 1782 CB THR A 118 -10.020 2.384 -2.915 1.00 0.00 C ATOM 1783 OG1 THR A 118 -9.731 2.414 -1.512 1.00 0.00 O ATOM 1784 CG2 THR A 118 -8.720 2.332 -3.703 1.00 0.00 C ATOM 0 H THR A 118 -9.757 4.909 -2.062 1.00 0.00 H new ATOM 0 HA THR A 118 -11.022 3.604 -4.382 1.00 0.00 H new ATOM 0 HB THR A 118 -10.603 1.493 -3.149 1.00 0.00 H new ATOM 0 HG1 THR A 118 -8.893 2.900 -1.361 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.151 1.450 -3.409 1.00 0.00 H new ATOM 0 HG22 THR A 118 -8.942 2.281 -4.769 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.134 3.227 -3.497 1.00 0.00 H new ATOM 1792 N TRP A 119 -12.573 4.707 -2.022 1.00 0.00 N ATOM 1793 CA TRP A 119 -13.818 4.806 -1.281 1.00 0.00 C ATOM 1794 C TRP A 119 -14.422 6.199 -1.414 1.00 0.00 C ATOM 1795 O TRP A 119 -15.634 6.349 -1.574 1.00 0.00 O ATOM 1796 CB TRP A 119 -13.562 4.482 0.188 1.00 0.00 C ATOM 1797 CG TRP A 119 -13.717 3.030 0.517 1.00 0.00 C ATOM 1798 CD1 TRP A 119 -12.737 2.081 0.503 1.00 0.00 C ATOM 1799 CD2 TRP A 119 -14.921 2.359 0.907 1.00 0.00 C ATOM 1800 NE1 TRP A 119 -13.256 0.860 0.862 1.00 0.00 N ATOM 1801 CE2 TRP A 119 -14.595 1.005 1.114 1.00 0.00 C ATOM 1802 CE3 TRP A 119 -16.243 2.771 1.102 1.00 0.00 C ATOM 1803 CZ2 TRP A 119 -15.542 0.063 1.506 1.00 0.00 C ATOM 1804 CZ3 TRP A 119 -17.182 1.834 1.491 1.00 0.00 C ATOM 1805 CH2 TRP A 119 -16.828 0.494 1.690 1.00 0.00 C ATOM 0 H TRP A 119 -12.043 5.577 -2.073 1.00 0.00 H new ATOM 0 HA TRP A 119 -14.529 4.090 -1.694 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -12.553 4.800 0.451 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -14.250 5.061 0.804 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -11.704 2.263 0.247 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -12.730 -0.012 0.930 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -16.525 3.803 0.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -15.272 -0.971 1.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -18.206 2.141 1.644 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -17.585 -0.214 1.995 1.00 0.00 H new