USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 434 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 32 GLN : amide:sc= 0.805 K(o=2.1,f=-11!) USER MOD Set 1.2: A 35 LYS NZ :NH3+ 179:sc= 1.25 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.843 K(o=-0.84,f=-2) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 157:sc= 1.06 (180deg=0.524) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 76:sc= 1.27 USER MOD Single : A 39 SER OG : rot 72:sc= -1.02! USER MOD Single : A 42 SER OG : rot -113:sc= 1.16 USER MOD Single : A 43 SER OG : rot 125:sc= 0.0233 USER MOD Single : A 46 GLN : amide:sc= -0.671 K(o=-0.67,f=-1.3) USER MOD Single : A 47 GLN : amide:sc= -0.0128 X(o=-0.013,f=-0.013) USER MOD Single : A 50 LYS NZ :NH3+ 169:sc= 1.92 (180deg=1.6) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 150:sc= 2.32 (180deg=-0.344!) USER MOD ----------------------------------------------------------------- ATOM 117 N ARG A 9 6.105 11.237 5.838 1.00 0.00 N ATOM 118 CA ARG A 9 7.340 10.777 5.217 1.00 0.00 C ATOM 119 C ARG A 9 7.332 9.274 4.944 1.00 0.00 C ATOM 120 O ARG A 9 7.701 8.846 3.863 1.00 0.00 O ATOM 121 CB ARG A 9 8.569 11.173 6.050 1.00 0.00 C ATOM 122 CG ARG A 9 8.610 10.562 7.439 1.00 0.00 C ATOM 123 CD ARG A 9 9.897 10.904 8.152 1.00 0.00 C ATOM 124 NE ARG A 9 10.010 10.222 9.437 1.00 0.00 N ATOM 125 CZ ARG A 9 11.163 10.007 10.066 1.00 0.00 C ATOM 126 NH1 ARG A 9 12.298 10.457 9.545 1.00 0.00 N ATOM 127 NH2 ARG A 9 11.183 9.348 11.219 1.00 0.00 N ATOM 0 HA ARG A 9 7.405 11.279 4.252 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.469 10.878 5.510 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.595 12.259 6.143 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.762 10.922 8.022 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.509 9.479 7.365 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.744 10.632 7.522 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.949 11.982 8.308 1.00 0.00 H new ATOM 0 HE ARG A 9 9.153 9.890 9.880 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.287 10.968 8.662 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.181 10.292 10.027 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.313 9.005 11.625 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.069 9.185 11.698 1.00 0.00 H new ATOM 141 N GLN A 10 6.876 8.488 5.910 1.00 0.00 N ATOM 142 CA GLN A 10 6.867 7.036 5.770 1.00 0.00 C ATOM 143 C GLN A 10 5.980 6.602 4.610 1.00 0.00 C ATOM 144 O GLN A 10 6.374 5.783 3.794 1.00 0.00 O ATOM 145 CB GLN A 10 6.414 6.374 7.085 1.00 0.00 C ATOM 146 CG GLN A 10 6.520 4.847 7.095 1.00 0.00 C ATOM 147 CD GLN A 10 5.344 4.149 6.431 1.00 0.00 C ATOM 148 OE1 GLN A 10 4.216 4.634 6.468 1.00 0.00 O ATOM 149 NE2 GLN A 10 5.607 3.017 5.807 1.00 0.00 N ATOM 0 H GLN A 10 6.508 8.829 6.798 1.00 0.00 H new ATOM 0 HA GLN A 10 7.883 6.708 5.550 1.00 0.00 H new ATOM 0 HB2 GLN A 10 7.013 6.773 7.903 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.379 6.655 7.281 1.00 0.00 H new ATOM 0 HG2 GLN A 10 7.439 4.552 6.589 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.600 4.504 8.126 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.558 2.648 5.800 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.860 2.511 5.332 1.00 0.00 H new ATOM 158 N VAL A 11 4.798 7.172 4.534 1.00 0.00 N ATOM 159 CA VAL A 11 3.846 6.807 3.500 1.00 0.00 C ATOM 160 C VAL A 11 4.225 7.383 2.136 1.00 0.00 C ATOM 161 O VAL A 11 4.160 6.687 1.126 1.00 0.00 O ATOM 162 CB VAL A 11 2.413 7.234 3.885 1.00 0.00 C ATOM 163 CG1 VAL A 11 1.447 7.014 2.736 1.00 0.00 C ATOM 164 CG2 VAL A 11 1.960 6.460 5.107 1.00 0.00 C ATOM 0 H VAL A 11 4.469 7.893 5.176 1.00 0.00 H new ATOM 0 HA VAL A 11 3.875 5.721 3.417 1.00 0.00 H new ATOM 0 HB VAL A 11 2.422 8.300 4.114 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.446 7.324 3.037 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.765 7.602 1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.434 5.957 2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.948 6.764 5.376 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.972 5.393 4.887 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.634 6.666 5.939 1.00 0.00 H new ATOM 174 N CYS A 12 4.636 8.638 2.109 1.00 0.00 N ATOM 175 CA CYS A 12 4.998 9.276 0.847 1.00 0.00 C ATOM 176 C CYS A 12 6.268 8.658 0.273 1.00 0.00 C ATOM 177 O CYS A 12 6.324 8.321 -0.913 1.00 0.00 O ATOM 178 CB CYS A 12 5.168 10.785 1.015 1.00 0.00 C ATOM 179 SG CYS A 12 5.400 11.692 -0.555 1.00 0.00 S ATOM 0 H CYS A 12 4.728 9.233 2.932 1.00 0.00 H new ATOM 0 HA CYS A 12 4.181 9.106 0.146 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.291 11.183 1.526 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.026 10.973 1.661 1.00 0.00 H new ATOM 184 N TRP A 13 7.283 8.489 1.115 1.00 0.00 N ATOM 185 CA TRP A 13 8.518 7.875 0.673 1.00 0.00 C ATOM 186 C TRP A 13 8.283 6.395 0.434 1.00 0.00 C ATOM 187 O TRP A 13 8.893 5.797 -0.441 1.00 0.00 O ATOM 188 CB TRP A 13 9.644 8.090 1.689 1.00 0.00 C ATOM 189 CG TRP A 13 10.989 7.671 1.179 1.00 0.00 C ATOM 190 CD1 TRP A 13 11.614 6.478 1.397 1.00 0.00 C ATOM 191 CD2 TRP A 13 11.871 8.444 0.358 1.00 0.00 C ATOM 192 NE1 TRP A 13 12.830 6.463 0.761 1.00 0.00 N ATOM 193 CE2 TRP A 13 13.013 7.657 0.118 1.00 0.00 C ATOM 194 CE3 TRP A 13 11.806 9.727 -0.198 1.00 0.00 C ATOM 195 CZ2 TRP A 13 14.079 8.108 -0.654 1.00 0.00 C ATOM 196 CZ3 TRP A 13 12.866 10.173 -0.962 1.00 0.00 C ATOM 197 CH2 TRP A 13 13.989 9.366 -1.186 1.00 0.00 C ATOM 0 H TRP A 13 7.270 8.767 2.096 1.00 0.00 H new ATOM 0 HA TRP A 13 8.831 8.347 -0.258 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.680 9.144 1.964 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.417 7.531 2.597 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.211 5.665 1.983 1.00 0.00 H new ATOM 0 HE1 TRP A 13 13.491 5.686 0.767 1.00 0.00 H new ATOM 0 HE3 TRP A 13 10.944 10.356 -0.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 14.946 7.488 -0.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 12.829 11.162 -1.395 1.00 0.00 H new ATOM 0 HH2 TRP A 13 14.800 9.744 -1.791 1.00 0.00 H new ATOM 208 N GLY A 14 7.377 5.817 1.217 1.00 0.00 N ATOM 209 CA GLY A 14 7.013 4.429 1.040 1.00 0.00 C ATOM 210 C GLY A 14 6.399 4.201 -0.317 1.00 0.00 C ATOM 211 O GLY A 14 6.691 3.223 -0.970 1.00 0.00 O ATOM 0 H GLY A 14 6.887 6.292 1.975 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.896 3.800 1.154 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.308 4.132 1.817 1.00 0.00 H new ATOM 215 N ALA A 15 5.554 5.132 -0.741 1.00 0.00 N ATOM 216 CA ALA A 15 4.938 5.084 -2.058 1.00 0.00 C ATOM 217 C ALA A 15 5.995 5.231 -3.134 1.00 0.00 C ATOM 218 O ALA A 15 5.909 4.625 -4.199 1.00 0.00 O ATOM 219 CB ALA A 15 3.909 6.192 -2.192 1.00 0.00 C ATOM 0 H ALA A 15 5.278 5.939 -0.182 1.00 0.00 H new ATOM 0 HA ALA A 15 4.442 4.121 -2.178 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.453 6.148 -3.181 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.138 6.067 -1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.396 7.158 -2.060 1.00 0.00 H new ATOM 225 N ARG A 16 6.997 6.040 -2.842 1.00 0.00 N ATOM 226 CA ARG A 16 8.092 6.267 -3.764 1.00 0.00 C ATOM 227 C ARG A 16 8.951 5.015 -3.848 1.00 0.00 C ATOM 228 O ARG A 16 9.440 4.651 -4.915 1.00 0.00 O ATOM 229 CB ARG A 16 8.939 7.457 -3.302 1.00 0.00 C ATOM 230 CG ARG A 16 9.837 8.041 -4.386 1.00 0.00 C ATOM 231 CD ARG A 16 9.012 8.688 -5.490 1.00 0.00 C ATOM 232 NE ARG A 16 8.124 9.728 -4.961 1.00 0.00 N ATOM 233 CZ ARG A 16 6.887 9.978 -5.408 1.00 0.00 C ATOM 234 NH1 ARG A 16 6.388 9.290 -6.433 1.00 0.00 N ATOM 235 NH2 ARG A 16 6.159 10.925 -4.834 1.00 0.00 N ATOM 0 H ARG A 16 7.074 6.555 -1.965 1.00 0.00 H new ATOM 0 HA ARG A 16 7.687 6.494 -4.750 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.276 8.240 -2.934 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.559 7.143 -2.462 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.508 8.780 -3.948 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.462 7.254 -4.808 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.678 9.122 -6.236 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.420 7.926 -5.997 1.00 0.00 H new ATOM 0 HE ARG A 16 8.475 10.304 -4.196 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.949 8.567 -6.883 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.445 9.486 -6.768 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.542 11.460 -4.055 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.216 11.119 -5.172 1.00 0.00 H new ATOM 249 N ASP A 17 9.120 4.359 -2.711 1.00 0.00 N ATOM 250 CA ASP A 17 9.891 3.132 -2.629 1.00 0.00 C ATOM 251 C ASP A 17 9.128 2.012 -3.318 1.00 0.00 C ATOM 252 O ASP A 17 9.685 1.282 -4.139 1.00 0.00 O ATOM 253 CB ASP A 17 10.151 2.766 -1.162 1.00 0.00 C ATOM 254 CG ASP A 17 11.395 1.917 -0.972 1.00 0.00 C ATOM 255 OD1 ASP A 17 12.369 2.422 -0.369 1.00 0.00 O ATOM 256 OD2 ASP A 17 11.413 0.758 -1.426 1.00 0.00 O ATOM 0 H ASP A 17 8.726 4.663 -1.821 1.00 0.00 H new ATOM 0 HA ASP A 17 10.851 3.276 -3.125 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.250 3.681 -0.577 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.288 2.228 -0.769 1.00 0.00 H new ATOM 261 N GLU A 18 7.829 1.914 -2.998 1.00 0.00 N ATOM 262 CA GLU A 18 6.939 0.911 -3.585 1.00 0.00 C ATOM 263 C GLU A 18 6.814 1.098 -5.082 1.00 0.00 C ATOM 264 O GLU A 18 6.568 0.140 -5.819 1.00 0.00 O ATOM 265 CB GLU A 18 5.541 0.939 -2.932 1.00 0.00 C ATOM 266 CG GLU A 18 5.470 0.303 -1.546 1.00 0.00 C ATOM 267 CD GLU A 18 4.059 -0.159 -1.184 1.00 0.00 C ATOM 268 OE1 GLU A 18 3.731 -1.332 -1.473 1.00 0.00 O ATOM 269 OE2 GLU A 18 3.283 0.637 -0.611 1.00 0.00 O ATOM 0 H GLU A 18 7.370 2.529 -2.326 1.00 0.00 H new ATOM 0 HA GLU A 18 7.387 -0.063 -3.391 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.210 1.975 -2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.838 0.426 -3.588 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.149 -0.549 -1.506 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.815 1.021 -0.802 1.00 0.00 H new ATOM 276 N TYR A 19 6.973 2.336 -5.528 1.00 0.00 N ATOM 277 CA TYR A 19 6.943 2.653 -6.941 1.00 0.00 C ATOM 278 C TYR A 19 7.964 1.790 -7.673 1.00 0.00 C ATOM 279 O TYR A 19 7.684 1.227 -8.736 1.00 0.00 O ATOM 280 CB TYR A 19 7.253 4.140 -7.138 1.00 0.00 C ATOM 281 CG TYR A 19 7.217 4.608 -8.569 1.00 0.00 C ATOM 282 CD1 TYR A 19 6.011 4.812 -9.220 1.00 0.00 C ATOM 283 CD2 TYR A 19 8.391 4.863 -9.266 1.00 0.00 C ATOM 284 CE1 TYR A 19 5.973 5.254 -10.525 1.00 0.00 C ATOM 285 CE2 TYR A 19 8.362 5.304 -10.571 1.00 0.00 C ATOM 286 CZ TYR A 19 7.151 5.498 -11.196 1.00 0.00 C ATOM 287 OH TYR A 19 7.118 5.945 -12.497 1.00 0.00 O ATOM 0 H TYR A 19 7.125 3.142 -4.921 1.00 0.00 H new ATOM 0 HA TYR A 19 5.953 2.447 -7.348 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.537 4.726 -6.561 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.241 4.348 -6.727 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.086 4.622 -8.696 1.00 0.00 H new ATOM 0 HD2 TYR A 19 9.342 4.713 -8.777 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.025 5.408 -11.019 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.284 5.496 -11.100 1.00 0.00 H new ATOM 0 HH TYR A 19 8.034 6.069 -12.824 1.00 0.00 H new ATOM 297 N TRP A 20 9.143 1.687 -7.089 1.00 0.00 N ATOM 298 CA TRP A 20 10.199 0.862 -7.634 1.00 0.00 C ATOM 299 C TRP A 20 10.020 -0.585 -7.188 1.00 0.00 C ATOM 300 O TRP A 20 9.859 -1.488 -8.007 1.00 0.00 O ATOM 301 CB TRP A 20 11.568 1.388 -7.204 1.00 0.00 C ATOM 302 CG TRP A 20 11.837 2.793 -7.648 1.00 0.00 C ATOM 303 CD1 TRP A 20 11.769 3.273 -8.923 1.00 0.00 C ATOM 304 CD2 TRP A 20 12.230 3.894 -6.823 1.00 0.00 C ATOM 305 NE1 TRP A 20 12.085 4.609 -8.939 1.00 0.00 N ATOM 306 CE2 TRP A 20 12.373 5.015 -7.662 1.00 0.00 C ATOM 307 CE3 TRP A 20 12.473 4.045 -5.453 1.00 0.00 C ATOM 308 CZ2 TRP A 20 12.746 6.266 -7.179 1.00 0.00 C ATOM 309 CZ3 TRP A 20 12.843 5.287 -4.975 1.00 0.00 C ATOM 310 CH2 TRP A 20 12.976 6.382 -5.836 1.00 0.00 C ATOM 0 H TRP A 20 9.393 2.172 -6.227 1.00 0.00 H new ATOM 0 HA TRP A 20 10.144 0.902 -8.722 1.00 0.00 H new ATOM 0 HB2 TRP A 20 11.642 1.339 -6.118 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.342 0.734 -7.606 1.00 0.00 H new ATOM 0 HD1 TRP A 20 11.505 2.688 -9.792 1.00 0.00 H new ATOM 0 HE1 TRP A 20 12.103 5.204 -9.768 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.373 3.205 -4.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 12.850 7.114 -7.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 13.033 5.415 -3.920 1.00 0.00 H new ATOM 0 HH2 TRP A 20 13.267 7.340 -5.431 1.00 0.00 H new ATOM 321 N LYS A 21 10.027 -0.779 -5.885 1.00 0.00 N ATOM 322 CA LYS A 21 9.900 -2.087 -5.279 1.00 0.00 C ATOM 323 C LYS A 21 8.632 -2.110 -4.432 1.00 0.00 C ATOM 324 O LYS A 21 8.597 -1.559 -3.332 1.00 0.00 O ATOM 325 CB LYS A 21 11.151 -2.361 -4.420 1.00 0.00 C ATOM 326 CG LYS A 21 11.348 -3.805 -3.958 1.00 0.00 C ATOM 327 CD LYS A 21 10.361 -4.204 -2.877 1.00 0.00 C ATOM 328 CE LYS A 21 10.846 -5.407 -2.100 1.00 0.00 C ATOM 329 NZ LYS A 21 12.086 -5.103 -1.336 1.00 0.00 N ATOM 0 H LYS A 21 10.122 -0.022 -5.209 1.00 0.00 H new ATOM 0 HA LYS A 21 9.826 -2.865 -6.038 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.030 -2.060 -4.989 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.108 -1.722 -3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.240 -4.475 -4.811 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.364 -3.929 -3.583 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.208 -3.367 -2.196 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.395 -4.427 -3.330 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.066 -5.735 -1.413 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.034 -6.232 -2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.177 -5.769 -0.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.911 -5.196 -1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.038 -4.131 -0.969 1.00 0.00 H new ATOM 343 N CYS A 22 7.600 -2.737 -4.950 1.00 0.00 N ATOM 344 CA CYS A 22 6.303 -2.752 -4.291 1.00 0.00 C ATOM 345 C CYS A 22 6.288 -3.683 -3.075 1.00 0.00 C ATOM 346 O CYS A 22 6.975 -4.711 -3.052 1.00 0.00 O ATOM 347 CB CYS A 22 5.218 -3.166 -5.289 1.00 0.00 C ATOM 348 SG CYS A 22 5.451 -4.840 -5.986 1.00 0.00 S ATOM 0 H CYS A 22 7.629 -3.248 -5.832 1.00 0.00 H new ATOM 0 HA CYS A 22 6.102 -1.743 -3.930 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.248 -3.121 -4.795 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.194 -2.444 -6.105 1.00 0.00 H new ATOM 353 N LEU A 23 5.509 -3.293 -2.062 1.00 0.00 N ATOM 354 CA LEU A 23 5.321 -4.074 -0.842 1.00 0.00 C ATOM 355 C LEU A 23 6.631 -4.322 -0.098 1.00 0.00 C ATOM 356 O LEU A 23 6.830 -5.389 0.487 1.00 0.00 O ATOM 357 CB LEU A 23 4.622 -5.401 -1.154 1.00 0.00 C ATOM 358 CG LEU A 23 3.415 -5.731 -0.273 1.00 0.00 C ATOM 359 CD1 LEU A 23 3.827 -5.835 1.182 1.00 0.00 C ATOM 360 CD2 LEU A 23 2.323 -4.684 -0.446 1.00 0.00 C ATOM 0 H LEU A 23 4.987 -2.417 -2.069 1.00 0.00 H new ATOM 0 HA LEU A 23 4.686 -3.483 -0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.297 -5.385 -2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.350 -6.207 -1.060 1.00 0.00 H new ATOM 0 HG LEU A 23 3.018 -6.697 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.954 -6.070 1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.571 -6.624 1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.252 -4.886 1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.473 -4.936 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.709 -3.705 -0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.003 -4.660 -1.488 1.00 0.00 H new ATOM 372 N ASP A 24 7.497 -3.325 -0.086 1.00 0.00 N ATOM 373 CA ASP A 24 8.781 -3.421 0.612 1.00 0.00 C ATOM 374 C ASP A 24 8.583 -3.544 2.129 1.00 0.00 C ATOM 375 O ASP A 24 9.475 -3.972 2.851 1.00 0.00 O ATOM 376 CB ASP A 24 9.650 -2.201 0.301 1.00 0.00 C ATOM 377 CG ASP A 24 11.036 -2.308 0.904 1.00 0.00 C ATOM 378 OD1 ASP A 24 11.896 -3.003 0.311 1.00 0.00 O ATOM 379 OD2 ASP A 24 11.279 -1.703 1.966 1.00 0.00 O ATOM 0 H ASP A 24 7.340 -2.432 -0.552 1.00 0.00 H new ATOM 0 HA ASP A 24 9.284 -4.321 0.257 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.735 -2.085 -0.779 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.160 -1.304 0.680 1.00 0.00 H new ATOM 384 N GLU A 25 7.404 -3.174 2.593 1.00 0.00 N ATOM 385 CA GLU A 25 7.084 -3.214 4.013 1.00 0.00 C ATOM 386 C GLU A 25 7.180 -4.613 4.606 1.00 0.00 C ATOM 387 O GLU A 25 7.964 -4.853 5.517 1.00 0.00 O ATOM 388 CB GLU A 25 5.687 -2.687 4.238 1.00 0.00 C ATOM 389 CG GLU A 25 5.567 -1.195 4.079 1.00 0.00 C ATOM 390 CD GLU A 25 6.392 -0.439 5.108 1.00 0.00 C ATOM 391 OE1 GLU A 25 7.607 -0.238 4.881 1.00 0.00 O ATOM 392 OE2 GLU A 25 5.836 -0.064 6.158 1.00 0.00 O ATOM 0 H GLU A 25 6.643 -2.839 2.002 1.00 0.00 H new ATOM 0 HA GLU A 25 7.823 -2.590 4.515 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.008 -3.173 3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.362 -2.963 5.241 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.890 -0.911 3.077 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.520 -0.905 4.171 1.00 0.00 H new ATOM 399 N ASN A 26 6.383 -5.534 4.092 1.00 0.00 N ATOM 400 CA ASN A 26 6.358 -6.889 4.660 1.00 0.00 C ATOM 401 C ASN A 26 6.701 -7.952 3.633 1.00 0.00 C ATOM 402 O ASN A 26 7.223 -9.006 3.983 1.00 0.00 O ATOM 403 CB ASN A 26 4.974 -7.202 5.255 1.00 0.00 C ATOM 404 CG ASN A 26 4.519 -6.198 6.297 1.00 0.00 C ATOM 405 OD1 ASN A 26 4.849 -6.314 7.471 1.00 0.00 O ATOM 406 ND2 ASN A 26 3.742 -5.211 5.873 1.00 0.00 N ATOM 0 H ASN A 26 5.756 -5.384 3.302 1.00 0.00 H new ATOM 0 HA ASN A 26 7.117 -6.910 5.442 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.240 -7.234 4.449 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.997 -8.195 5.705 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.397 -4.514 6.533 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.489 -5.149 4.887 1.00 0.00 H new ATOM 413 N LEU A 27 6.426 -7.661 2.357 1.00 0.00 N ATOM 414 CA LEU A 27 6.641 -8.622 1.255 1.00 0.00 C ATOM 415 C LEU A 27 5.879 -9.935 1.487 1.00 0.00 C ATOM 416 O LEU A 27 6.171 -10.946 0.855 1.00 0.00 O ATOM 417 CB LEU A 27 8.134 -8.926 1.044 1.00 0.00 C ATOM 418 CG LEU A 27 9.029 -7.757 0.620 1.00 0.00 C ATOM 419 CD1 LEU A 27 9.408 -6.901 1.816 1.00 0.00 C ATOM 420 CD2 LEU A 27 10.269 -8.276 -0.083 1.00 0.00 C ATOM 0 H LEU A 27 6.051 -6.762 2.054 1.00 0.00 H new ATOM 0 HA LEU A 27 6.251 -8.145 0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.531 -9.337 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.217 -9.707 0.289 1.00 0.00 H new ATOM 0 HG LEU A 27 8.470 -7.130 -0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.043 -6.078 1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.505 -6.501 2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.948 -7.509 2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.897 -7.436 -0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.826 -8.925 0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.976 -8.840 -0.968 1.00 0.00 H new ATOM 432 N GLU A 28 4.889 -9.901 2.377 1.00 0.00 N ATOM 433 CA GLU A 28 4.126 -11.094 2.719 1.00 0.00 C ATOM 434 C GLU A 28 3.302 -11.576 1.529 1.00 0.00 C ATOM 435 O GLU A 28 3.250 -12.766 1.243 1.00 0.00 O ATOM 436 CB GLU A 28 3.223 -10.818 3.923 1.00 0.00 C ATOM 437 CG GLU A 28 2.510 -12.048 4.458 1.00 0.00 C ATOM 438 CD GLU A 28 3.473 -13.119 4.911 1.00 0.00 C ATOM 439 OE1 GLU A 28 4.070 -12.963 5.997 1.00 0.00 O ATOM 440 OE2 GLU A 28 3.640 -14.118 4.184 1.00 0.00 O ATOM 0 H GLU A 28 4.598 -9.059 2.873 1.00 0.00 H new ATOM 0 HA GLU A 28 4.828 -11.885 2.983 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.824 -10.383 4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.479 -10.073 3.642 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.872 -11.760 5.293 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.858 -12.453 3.684 1.00 0.00 H new ATOM 447 N ASP A 29 2.669 -10.649 0.837 1.00 0.00 N ATOM 448 CA ASP A 29 1.909 -10.996 -0.349 1.00 0.00 C ATOM 449 C ASP A 29 2.178 -9.981 -1.435 1.00 0.00 C ATOM 450 O ASP A 29 1.427 -9.024 -1.628 1.00 0.00 O ATOM 451 CB ASP A 29 0.415 -11.101 -0.061 1.00 0.00 C ATOM 452 CG ASP A 29 -0.283 -12.002 -1.056 1.00 0.00 C ATOM 453 OD1 ASP A 29 -0.762 -13.080 -0.647 1.00 0.00 O ATOM 454 OD2 ASP A 29 -0.330 -11.659 -2.255 1.00 0.00 O ATOM 0 H ASP A 29 2.665 -9.657 1.073 1.00 0.00 H new ATOM 0 HA ASP A 29 2.234 -11.981 -0.685 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.265 -11.487 0.947 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.033 -10.108 -0.093 1.00 0.00 H new ATOM 459 N ALA A 30 3.279 -10.177 -2.116 1.00 0.00 N ATOM 460 CA ALA A 30 3.735 -9.261 -3.146 1.00 0.00 C ATOM 461 C ALA A 30 2.841 -9.286 -4.381 1.00 0.00 C ATOM 462 O ALA A 30 2.943 -8.424 -5.242 1.00 0.00 O ATOM 463 CB ALA A 30 5.180 -9.557 -3.516 1.00 0.00 C ATOM 0 H ALA A 30 3.892 -10.980 -1.975 1.00 0.00 H new ATOM 0 HA ALA A 30 3.675 -8.253 -2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.507 -8.862 -4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.812 -9.443 -2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.258 -10.578 -3.889 1.00 0.00 H new ATOM 469 N SER A 31 1.973 -10.265 -4.462 1.00 0.00 N ATOM 470 CA SER A 31 1.074 -10.384 -5.593 1.00 0.00 C ATOM 471 C SER A 31 0.017 -9.278 -5.574 1.00 0.00 C ATOM 472 O SER A 31 -0.487 -8.863 -6.617 1.00 0.00 O ATOM 473 CB SER A 31 0.423 -11.754 -5.584 1.00 0.00 C ATOM 474 OG SER A 31 1.411 -12.772 -5.654 1.00 0.00 O ATOM 0 H SER A 31 1.867 -10.995 -3.758 1.00 0.00 H new ATOM 0 HA SER A 31 1.649 -10.271 -6.512 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.170 -11.876 -4.678 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.261 -11.844 -6.428 1.00 0.00 H new ATOM 0 HG SER A 31 0.977 -13.650 -5.646 1.00 0.00 H new ATOM 480 N GLN A 32 -0.298 -8.792 -4.386 1.00 0.00 N ATOM 481 CA GLN A 32 -1.290 -7.737 -4.233 1.00 0.00 C ATOM 482 C GLN A 32 -0.618 -6.364 -4.170 1.00 0.00 C ATOM 483 O GLN A 32 -1.287 -5.334 -4.001 1.00 0.00 O ATOM 484 CB GLN A 32 -2.136 -7.973 -2.977 1.00 0.00 C ATOM 485 CG GLN A 32 -2.813 -9.340 -2.937 1.00 0.00 C ATOM 486 CD GLN A 32 -3.685 -9.604 -4.153 1.00 0.00 C ATOM 487 OE1 GLN A 32 -4.258 -8.683 -4.740 1.00 0.00 O ATOM 488 NE2 GLN A 32 -3.786 -10.857 -4.544 1.00 0.00 N ATOM 0 H GLN A 32 0.118 -9.110 -3.511 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.945 -7.759 -5.104 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.501 -7.867 -2.098 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.900 -7.198 -2.914 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.050 -10.116 -2.868 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.423 -9.412 -2.036 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.297 -11.592 -4.033 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.353 -11.093 -5.358 1.00 0.00 H new ATOM 497 N CYS A 33 0.704 -6.348 -4.324 1.00 0.00 N ATOM 498 CA CYS A 33 1.473 -5.110 -4.218 1.00 0.00 C ATOM 499 C CYS A 33 1.106 -4.127 -5.308 1.00 0.00 C ATOM 500 O CYS A 33 1.160 -2.936 -5.096 1.00 0.00 O ATOM 501 CB CYS A 33 2.969 -5.376 -4.285 1.00 0.00 C ATOM 502 SG CYS A 33 3.595 -5.662 -5.980 1.00 0.00 S ATOM 0 H CYS A 33 1.265 -7.177 -4.522 1.00 0.00 H new ATOM 0 HA CYS A 33 1.224 -4.679 -3.248 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.499 -4.528 -3.851 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.201 -6.246 -3.671 1.00 0.00 H new ATOM 507 N LYS A 34 0.736 -4.629 -6.478 1.00 0.00 N ATOM 508 CA LYS A 34 0.400 -3.762 -7.598 1.00 0.00 C ATOM 509 C LYS A 34 -0.790 -2.877 -7.254 1.00 0.00 C ATOM 510 O LYS A 34 -0.817 -1.693 -7.581 1.00 0.00 O ATOM 511 CB LYS A 34 0.105 -4.588 -8.849 1.00 0.00 C ATOM 512 CG LYS A 34 -0.134 -3.748 -10.092 1.00 0.00 C ATOM 513 CD LYS A 34 -0.409 -4.618 -11.301 1.00 0.00 C ATOM 514 CE LYS A 34 -0.628 -3.774 -12.543 1.00 0.00 C ATOM 515 NZ LYS A 34 -0.933 -4.605 -13.731 1.00 0.00 N ATOM 0 H LYS A 34 0.661 -5.627 -6.676 1.00 0.00 H new ATOM 0 HA LYS A 34 1.258 -3.122 -7.802 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.940 -5.264 -9.033 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.773 -5.208 -8.666 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.977 -3.078 -9.924 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.737 -3.122 -10.283 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.428 -5.297 -11.462 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.289 -5.235 -11.117 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.447 -3.077 -12.368 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.263 -3.177 -12.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.076 -3.990 -14.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.140 -5.253 -13.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.797 -5.156 -13.556 1.00 0.00 H new ATOM 529 N LYS A 35 -1.749 -3.456 -6.562 1.00 0.00 N ATOM 530 CA LYS A 35 -2.945 -2.740 -6.159 1.00 0.00 C ATOM 531 C LYS A 35 -2.617 -1.742 -5.050 1.00 0.00 C ATOM 532 O LYS A 35 -3.038 -0.578 -5.091 1.00 0.00 O ATOM 533 CB LYS A 35 -4.001 -3.741 -5.690 1.00 0.00 C ATOM 534 CG LYS A 35 -4.361 -4.768 -6.750 1.00 0.00 C ATOM 535 CD LYS A 35 -5.207 -5.889 -6.180 1.00 0.00 C ATOM 536 CE LYS A 35 -5.496 -6.943 -7.236 1.00 0.00 C ATOM 537 NZ LYS A 35 -6.149 -8.142 -6.660 1.00 0.00 N ATOM 0 H LYS A 35 -1.724 -4.431 -6.263 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.337 -2.183 -7.010 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.635 -4.257 -4.802 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.901 -3.200 -5.396 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.902 -4.280 -7.561 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.449 -5.183 -7.180 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.691 -6.346 -5.336 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.144 -5.484 -5.799 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.137 -6.517 -8.008 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.565 -7.235 -7.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.344 -8.828 -7.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.520 -8.574 -5.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.042 -7.866 -6.205 1.00 0.00 H new ATOM 551 N LEU A 36 -1.848 -2.199 -4.073 1.00 0.00 N ATOM 552 CA LEU A 36 -1.453 -1.360 -2.947 1.00 0.00 C ATOM 553 C LEU A 36 -0.518 -0.228 -3.390 1.00 0.00 C ATOM 554 O LEU A 36 -0.644 0.902 -2.922 1.00 0.00 O ATOM 555 CB LEU A 36 -0.818 -2.218 -1.845 1.00 0.00 C ATOM 556 CG LEU A 36 -1.797 -3.102 -1.070 1.00 0.00 C ATOM 557 CD1 LEU A 36 -1.059 -4.059 -0.159 1.00 0.00 C ATOM 558 CD2 LEU A 36 -2.744 -2.245 -0.264 1.00 0.00 C ATOM 0 H LEU A 36 -1.483 -3.151 -4.036 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.348 -0.889 -2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.055 -2.854 -2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.310 -1.560 -1.140 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.369 -3.688 -1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.778 -4.676 0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.407 -4.698 -0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.460 -3.493 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.437 -2.884 0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.175 -1.638 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.305 -1.593 -0.934 1.00 0.00 H new ATOM 570 N ARG A 37 0.405 -0.534 -4.296 1.00 0.00 N ATOM 571 CA ARG A 37 1.317 0.473 -4.840 1.00 0.00 C ATOM 572 C ARG A 37 0.521 1.558 -5.544 1.00 0.00 C ATOM 573 O ARG A 37 0.747 2.745 -5.338 1.00 0.00 O ATOM 574 CB ARG A 37 2.281 -0.152 -5.849 1.00 0.00 C ATOM 575 CG ARG A 37 3.450 0.748 -6.214 1.00 0.00 C ATOM 576 CD ARG A 37 3.973 0.460 -7.611 1.00 0.00 C ATOM 577 NE ARG A 37 3.296 1.272 -8.631 1.00 0.00 N ATOM 578 CZ ARG A 37 3.681 1.361 -9.909 1.00 0.00 C ATOM 579 NH1 ARG A 37 4.721 0.659 -10.354 1.00 0.00 N ATOM 580 NH2 ARG A 37 3.023 2.162 -10.735 1.00 0.00 N ATOM 0 H ARG A 37 0.543 -1.472 -4.671 1.00 0.00 H new ATOM 0 HA ARG A 37 1.887 0.894 -4.012 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.667 -1.086 -5.440 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.731 -0.404 -6.756 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.139 1.791 -6.151 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.253 0.611 -5.490 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.045 0.656 -7.644 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.835 -0.597 -7.839 1.00 0.00 H new ATOM 0 HE ARG A 37 2.475 1.805 -8.345 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.232 0.046 -9.719 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.007 0.734 -11.330 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.229 2.705 -10.395 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.310 2.236 -11.711 1.00 0.00 H new ATOM 594 N SER A 38 -0.426 1.123 -6.373 1.00 0.00 N ATOM 595 CA SER A 38 -1.278 2.034 -7.132 1.00 0.00 C ATOM 596 C SER A 38 -2.057 2.973 -6.208 1.00 0.00 C ATOM 597 O SER A 38 -2.368 4.108 -6.574 1.00 0.00 O ATOM 598 CB SER A 38 -2.242 1.245 -8.017 1.00 0.00 C ATOM 599 OG SER A 38 -1.536 0.436 -8.950 1.00 0.00 O ATOM 0 H SER A 38 -0.623 0.136 -6.536 1.00 0.00 H new ATOM 0 HA SER A 38 -0.633 2.645 -7.763 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.879 0.616 -7.395 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.897 1.934 -8.551 1.00 0.00 H new ATOM 0 HG SER A 38 -1.164 -0.345 -8.490 1.00 0.00 H new ATOM 605 N SER A 39 -2.374 2.494 -5.020 1.00 0.00 N ATOM 606 CA SER A 39 -3.095 3.296 -4.055 1.00 0.00 C ATOM 607 C SER A 39 -2.154 4.284 -3.347 1.00 0.00 C ATOM 608 O SER A 39 -2.544 5.401 -3.021 1.00 0.00 O ATOM 609 CB SER A 39 -3.769 2.391 -3.041 1.00 0.00 C ATOM 610 OG SER A 39 -4.469 1.341 -3.693 1.00 0.00 O ATOM 0 H SER A 39 -2.143 1.553 -4.702 1.00 0.00 H new ATOM 0 HA SER A 39 -3.854 3.875 -4.582 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.022 1.973 -2.366 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.461 2.972 -2.431 1.00 0.00 H new ATOM 0 HG SER A 39 -3.827 0.698 -4.059 1.00 0.00 H new ATOM 616 N PHE A 40 -0.919 3.862 -3.124 1.00 0.00 N ATOM 617 CA PHE A 40 0.085 4.697 -2.467 1.00 0.00 C ATOM 618 C PHE A 40 0.601 5.804 -3.392 1.00 0.00 C ATOM 619 O PHE A 40 0.850 6.922 -2.960 1.00 0.00 O ATOM 620 CB PHE A 40 1.247 3.833 -1.972 1.00 0.00 C ATOM 621 CG PHE A 40 1.314 3.697 -0.473 1.00 0.00 C ATOM 622 CD1 PHE A 40 0.175 3.435 0.265 1.00 0.00 C ATOM 623 CD2 PHE A 40 2.519 3.833 0.194 1.00 0.00 C ATOM 624 CE1 PHE A 40 0.236 3.313 1.641 1.00 0.00 C ATOM 625 CE2 PHE A 40 2.587 3.711 1.568 1.00 0.00 C ATOM 626 CZ PHE A 40 1.445 3.451 2.293 1.00 0.00 C ATOM 0 H PHE A 40 -0.582 2.937 -3.390 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.393 5.180 -1.615 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.162 2.840 -2.413 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.183 4.261 -2.330 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.774 3.324 -0.239 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.419 4.037 -0.368 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.662 3.110 2.206 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.535 3.819 2.074 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.495 3.355 3.368 1.00 0.00 H new ATOM 636 N GLU A 41 0.730 5.493 -4.670 1.00 0.00 N ATOM 637 CA GLU A 41 1.257 6.448 -5.656 1.00 0.00 C ATOM 638 C GLU A 41 0.229 7.517 -5.992 1.00 0.00 C ATOM 639 O GLU A 41 0.509 8.440 -6.766 1.00 0.00 O ATOM 640 CB GLU A 41 1.671 5.729 -6.935 1.00 0.00 C ATOM 641 CG GLU A 41 0.519 5.036 -7.641 1.00 0.00 C ATOM 642 CD GLU A 41 0.911 4.417 -8.961 1.00 0.00 C ATOM 643 OE1 GLU A 41 1.245 3.214 -8.987 1.00 0.00 O ATOM 644 OE2 GLU A 41 0.864 5.124 -9.989 1.00 0.00 O ATOM 0 H GLU A 41 0.478 4.585 -5.060 1.00 0.00 H new ATOM 0 HA GLU A 41 2.129 6.926 -5.211 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.124 6.449 -7.617 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.437 4.991 -6.696 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.117 4.260 -6.989 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.281 5.757 -7.809 1.00 0.00 H new ATOM 651 N SER A 42 -0.948 7.383 -5.407 1.00 0.00 N ATOM 652 CA SER A 42 -2.073 8.253 -5.685 1.00 0.00 C ATOM 653 C SER A 42 -1.703 9.725 -5.547 1.00 0.00 C ATOM 654 O SER A 42 -2.065 10.547 -6.390 1.00 0.00 O ATOM 655 CB SER A 42 -3.229 7.901 -4.758 1.00 0.00 C ATOM 656 OG SER A 42 -2.836 7.999 -3.399 1.00 0.00 O ATOM 0 H SER A 42 -1.150 6.658 -4.718 1.00 0.00 H new ATOM 0 HA SER A 42 -2.375 8.097 -6.721 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.069 8.570 -4.947 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.574 6.889 -4.969 1.00 0.00 H new ATOM 0 HG SER A 42 -2.840 7.107 -2.992 1.00 0.00 H new ATOM 662 N SER A 43 -0.976 10.057 -4.495 1.00 0.00 N ATOM 663 CA SER A 43 -0.573 11.432 -4.274 1.00 0.00 C ATOM 664 C SER A 43 0.768 11.512 -3.546 1.00 0.00 C ATOM 665 O SER A 43 1.820 11.628 -4.184 1.00 0.00 O ATOM 666 CB SER A 43 -1.652 12.185 -3.479 1.00 0.00 C ATOM 667 OG SER A 43 -2.913 12.108 -4.121 1.00 0.00 O ATOM 0 H SER A 43 -0.655 9.398 -3.786 1.00 0.00 H new ATOM 0 HA SER A 43 -0.454 11.903 -5.250 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.726 11.766 -2.476 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.362 13.230 -3.367 1.00 0.00 H new ATOM 0 HG SER A 43 -3.577 11.749 -3.496 1.00 0.00 H new ATOM 673 N CYS A 44 0.714 11.400 -2.214 1.00 0.00 N ATOM 674 CA CYS A 44 1.887 11.511 -1.338 1.00 0.00 C ATOM 675 C CYS A 44 1.450 11.594 0.146 1.00 0.00 C ATOM 676 O CYS A 44 1.947 10.837 0.979 1.00 0.00 O ATOM 677 CB CYS A 44 2.766 12.727 -1.712 1.00 0.00 C ATOM 678 SG CYS A 44 4.020 13.180 -0.468 1.00 0.00 S ATOM 0 H CYS A 44 -0.155 11.228 -1.708 1.00 0.00 H new ATOM 0 HA CYS A 44 2.489 10.613 -1.478 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.270 12.516 -2.655 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.118 13.587 -1.883 1.00 0.00 H new ATOM 683 N PRO A 45 0.509 12.524 0.509 1.00 0.00 N ATOM 684 CA PRO A 45 -0.001 12.610 1.880 1.00 0.00 C ATOM 685 C PRO A 45 -0.781 11.351 2.263 1.00 0.00 C ATOM 686 O PRO A 45 -1.608 10.860 1.484 1.00 0.00 O ATOM 687 CB PRO A 45 -0.934 13.830 1.851 1.00 0.00 C ATOM 688 CG PRO A 45 -1.294 14.003 0.418 1.00 0.00 C ATOM 689 CD PRO A 45 -0.092 13.562 -0.359 1.00 0.00 C ATOM 0 HA PRO A 45 0.800 12.701 2.613 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.820 13.664 2.464 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.437 14.717 2.243 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.168 13.405 0.159 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.542 15.042 0.199 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.368 13.161 -1.334 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.598 14.387 -0.537 1.00 0.00 H new ATOM 697 N GLN A 46 -0.526 10.847 3.463 1.00 0.00 N ATOM 698 CA GLN A 46 -1.157 9.622 3.944 1.00 0.00 C ATOM 699 C GLN A 46 -2.659 9.766 4.044 1.00 0.00 C ATOM 700 O GLN A 46 -3.384 8.798 3.874 1.00 0.00 O ATOM 701 CB GLN A 46 -0.594 9.221 5.302 1.00 0.00 C ATOM 702 CG GLN A 46 -1.206 7.945 5.850 1.00 0.00 C ATOM 703 CD GLN A 46 -0.678 7.569 7.216 1.00 0.00 C ATOM 704 OE1 GLN A 46 -0.316 8.428 8.012 1.00 0.00 O ATOM 705 NE2 GLN A 46 -0.626 6.282 7.491 1.00 0.00 N ATOM 0 H GLN A 46 0.120 11.272 4.128 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.935 8.843 3.215 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.485 9.091 5.217 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.763 10.031 6.012 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.288 8.064 5.906 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.011 7.128 5.155 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.937 5.600 6.800 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.274 5.968 8.395 1.00 0.00 H new ATOM 714 N GLN A 47 -3.118 10.970 4.322 1.00 0.00 N ATOM 715 CA GLN A 47 -4.545 11.231 4.455 1.00 0.00 C ATOM 716 C GLN A 47 -5.298 10.742 3.214 1.00 0.00 C ATOM 717 O GLN A 47 -6.182 9.879 3.301 1.00 0.00 O ATOM 718 CB GLN A 47 -4.785 12.726 4.664 1.00 0.00 C ATOM 719 CG GLN A 47 -4.034 13.318 5.853 1.00 0.00 C ATOM 720 CD GLN A 47 -4.445 12.704 7.176 1.00 0.00 C ATOM 721 OE1 GLN A 47 -5.378 13.173 7.822 1.00 0.00 O ATOM 722 NE2 GLN A 47 -3.749 11.664 7.590 1.00 0.00 N ATOM 0 H GLN A 47 -2.525 11.788 4.461 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.920 10.687 5.322 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.491 13.260 3.760 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.853 12.896 4.802 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.963 13.173 5.708 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.209 14.393 5.888 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.981 11.306 7.022 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.978 11.218 8.478 1.00 0.00 H new ATOM 731 N TRP A 48 -4.913 11.262 2.061 1.00 0.00 N ATOM 732 CA TRP A 48 -5.549 10.893 0.809 1.00 0.00 C ATOM 733 C TRP A 48 -5.154 9.472 0.407 1.00 0.00 C ATOM 734 O TRP A 48 -5.995 8.681 -0.043 1.00 0.00 O ATOM 735 CB TRP A 48 -5.158 11.880 -0.288 1.00 0.00 C ATOM 736 CG TRP A 48 -6.050 11.822 -1.485 1.00 0.00 C ATOM 737 CD1 TRP A 48 -5.907 11.026 -2.585 1.00 0.00 C ATOM 738 CD2 TRP A 48 -7.234 12.594 -1.700 1.00 0.00 C ATOM 739 NE1 TRP A 48 -6.928 11.263 -3.471 1.00 0.00 N ATOM 740 CE2 TRP A 48 -7.757 12.221 -2.949 1.00 0.00 C ATOM 741 CE3 TRP A 48 -7.903 13.567 -0.952 1.00 0.00 C ATOM 742 CZ2 TRP A 48 -8.917 12.787 -3.470 1.00 0.00 C ATOM 743 CZ3 TRP A 48 -9.053 14.128 -1.468 1.00 0.00 C ATOM 744 CH2 TRP A 48 -9.550 13.736 -2.715 1.00 0.00 C ATOM 0 H TRP A 48 -4.160 11.944 1.967 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.630 10.926 0.944 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.175 12.891 0.120 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.133 11.679 -0.598 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.108 10.315 -2.736 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.050 10.801 -4.372 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -7.526 13.874 0.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -9.303 12.488 -4.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.578 14.882 -0.900 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -10.454 14.193 -3.090 1.00 0.00 H new ATOM 755 N ILE A 49 -3.871 9.152 0.581 1.00 0.00 N ATOM 756 CA ILE A 49 -3.349 7.836 0.240 1.00 0.00 C ATOM 757 C ILE A 49 -4.084 6.734 0.969 1.00 0.00 C ATOM 758 O ILE A 49 -4.660 5.862 0.344 1.00 0.00 O ATOM 759 CB ILE A 49 -1.839 7.727 0.537 1.00 0.00 C ATOM 760 CG1 ILE A 49 -1.037 8.418 -0.558 1.00 0.00 C ATOM 761 CG2 ILE A 49 -1.408 6.270 0.690 1.00 0.00 C ATOM 762 CD1 ILE A 49 0.448 8.401 -0.316 1.00 0.00 C ATOM 0 H ILE A 49 -3.174 9.793 0.959 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.507 7.713 -0.831 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.641 8.229 1.484 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.247 7.934 -1.512 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.371 9.452 -0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.339 6.227 0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.957 5.813 1.513 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.620 5.729 -0.232 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.956 8.910 -1.135 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.670 8.911 0.622 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.796 7.369 -0.259 1.00 0.00 H new ATOM 774 N LYS A 50 -4.080 6.789 2.294 1.00 0.00 N ATOM 775 CA LYS A 50 -4.709 5.755 3.078 1.00 0.00 C ATOM 776 C LYS A 50 -6.197 5.737 2.891 1.00 0.00 C ATOM 777 O LYS A 50 -6.823 4.718 3.106 1.00 0.00 O ATOM 778 CB LYS A 50 -4.340 5.828 4.558 1.00 0.00 C ATOM 779 CG LYS A 50 -2.979 5.216 4.885 1.00 0.00 C ATOM 780 CD LYS A 50 -2.848 3.772 4.380 1.00 0.00 C ATOM 781 CE LYS A 50 -3.976 2.875 4.889 1.00 0.00 C ATOM 782 NZ LYS A 50 -3.805 1.473 4.437 1.00 0.00 N ATOM 0 H LYS A 50 -3.649 7.536 2.838 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.315 4.811 2.701 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.344 6.872 4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.107 5.317 5.140 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.193 5.826 4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.825 5.236 5.964 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.848 3.769 3.290 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.889 3.363 4.700 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.003 2.906 5.978 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.933 3.258 4.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.473 0.860 4.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.989 1.413 3.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.832 1.161 4.632 1.00 0.00 H new ATOM 796 N TYR A 51 -6.773 6.864 2.503 1.00 0.00 N ATOM 797 CA TYR A 51 -8.198 6.891 2.221 1.00 0.00 C ATOM 798 C TYR A 51 -8.523 5.931 1.069 1.00 0.00 C ATOM 799 O TYR A 51 -9.412 5.083 1.183 1.00 0.00 O ATOM 800 CB TYR A 51 -8.674 8.307 1.883 1.00 0.00 C ATOM 801 CG TYR A 51 -10.158 8.385 1.593 1.00 0.00 C ATOM 802 CD1 TYR A 51 -11.089 8.198 2.605 1.00 0.00 C ATOM 803 CD2 TYR A 51 -10.626 8.645 0.310 1.00 0.00 C ATOM 804 CE1 TYR A 51 -12.443 8.263 2.350 1.00 0.00 C ATOM 805 CE2 TYR A 51 -11.981 8.713 0.047 1.00 0.00 C ATOM 806 CZ TYR A 51 -12.886 8.521 1.072 1.00 0.00 C ATOM 807 OH TYR A 51 -14.238 8.590 0.818 1.00 0.00 O ATOM 0 H TYR A 51 -6.288 7.753 2.378 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.727 6.568 3.118 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.438 8.971 2.715 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.122 8.672 1.017 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.747 7.998 3.610 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.920 8.796 -0.493 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -13.153 8.112 3.150 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -12.330 8.915 -0.955 1.00 0.00 H new ATOM 0 HH TYR A 51 -14.383 8.780 -0.132 1.00 0.00 H new ATOM 817 N PHE A 52 -7.793 6.066 -0.031 1.00 0.00 N ATOM 818 CA PHE A 52 -7.992 5.199 -1.186 1.00 0.00 C ATOM 819 C PHE A 52 -7.390 3.801 -0.948 1.00 0.00 C ATOM 820 O PHE A 52 -8.009 2.780 -1.266 1.00 0.00 O ATOM 821 CB PHE A 52 -7.395 5.838 -2.442 1.00 0.00 C ATOM 822 CG PHE A 52 -7.741 5.110 -3.708 1.00 0.00 C ATOM 823 CD1 PHE A 52 -9.027 5.164 -4.225 1.00 0.00 C ATOM 824 CD2 PHE A 52 -6.785 4.373 -4.384 1.00 0.00 C ATOM 825 CE1 PHE A 52 -9.351 4.497 -5.388 1.00 0.00 C ATOM 826 CE2 PHE A 52 -7.101 3.704 -5.547 1.00 0.00 C ATOM 827 CZ PHE A 52 -8.386 3.766 -6.052 1.00 0.00 C ATOM 0 H PHE A 52 -7.060 6.765 -0.148 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.065 5.076 -1.333 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.745 6.868 -2.517 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.311 5.877 -2.340 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.785 5.736 -3.710 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.779 4.321 -3.996 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.357 4.546 -5.778 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.345 3.132 -6.063 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.635 3.244 -6.964 1.00 0.00 H new ATOM 837 N ASP A 53 -6.188 3.774 -0.373 1.00 0.00 N ATOM 838 CA ASP A 53 -5.451 2.524 -0.102 1.00 0.00 C ATOM 839 C ASP A 53 -6.214 1.624 0.859 1.00 0.00 C ATOM 840 O ASP A 53 -6.099 0.413 0.796 1.00 0.00 O ATOM 841 CB ASP A 53 -4.050 2.852 0.458 1.00 0.00 C ATOM 842 CG ASP A 53 -3.202 1.626 0.779 1.00 0.00 C ATOM 843 OD1 ASP A 53 -3.197 1.198 1.943 1.00 0.00 O ATOM 844 OD2 ASP A 53 -2.508 1.115 -0.124 1.00 0.00 O ATOM 0 H ASP A 53 -5.691 4.615 -0.079 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.343 1.982 -1.041 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.517 3.469 -0.266 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.163 3.448 1.363 1.00 0.00 H new ATOM 849 N LYS A 54 -7.026 2.230 1.720 1.00 0.00 N ATOM 850 CA LYS A 54 -7.817 1.492 2.709 1.00 0.00 C ATOM 851 C LYS A 54 -8.774 0.500 2.037 1.00 0.00 C ATOM 852 O LYS A 54 -9.232 -0.453 2.659 1.00 0.00 O ATOM 853 CB LYS A 54 -8.618 2.470 3.575 1.00 0.00 C ATOM 854 CG LYS A 54 -9.313 1.829 4.759 1.00 0.00 C ATOM 855 CD LYS A 54 -10.103 2.845 5.574 1.00 0.00 C ATOM 856 CE LYS A 54 -11.231 3.468 4.765 1.00 0.00 C ATOM 857 NZ LYS A 54 -12.006 4.448 5.564 1.00 0.00 N ATOM 0 H LYS A 54 -7.156 3.241 1.755 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.125 0.928 3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.947 3.248 3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.366 2.961 2.952 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.984 1.047 4.405 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.572 1.349 5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.516 2.359 6.458 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.432 3.629 5.925 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.818 3.962 3.886 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.897 2.683 4.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.765 4.851 4.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.421 3.972 6.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.375 5.210 5.885 1.00 0.00 H new ATOM 871 N ARG A 55 -9.071 0.729 0.771 1.00 0.00 N ATOM 872 CA ARG A 55 -9.985 -0.138 0.052 1.00 0.00 C ATOM 873 C ARG A 55 -9.283 -1.417 -0.406 1.00 0.00 C ATOM 874 O ARG A 55 -9.897 -2.476 -0.489 1.00 0.00 O ATOM 875 CB ARG A 55 -10.575 0.583 -1.161 1.00 0.00 C ATOM 876 CG ARG A 55 -11.092 1.987 -0.874 1.00 0.00 C ATOM 877 CD ARG A 55 -11.877 2.533 -2.054 1.00 0.00 C ATOM 878 NE ARG A 55 -12.219 3.946 -1.890 1.00 0.00 N ATOM 879 CZ ARG A 55 -13.403 4.401 -1.453 1.00 0.00 C ATOM 880 NH1 ARG A 55 -14.351 3.553 -1.061 1.00 0.00 N ATOM 881 NH2 ARG A 55 -13.630 5.707 -1.401 1.00 0.00 N ATOM 0 H ARG A 55 -8.695 1.503 0.223 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.791 -0.405 0.736 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.813 0.642 -1.938 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.393 -0.016 -1.561 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.726 1.970 0.012 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.254 2.648 -0.653 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.293 2.407 -2.965 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.791 1.953 -2.179 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.505 4.636 -2.125 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.180 2.548 -1.091 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.248 3.908 -0.730 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.905 6.363 -1.693 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.529 6.056 -1.069 1.00 0.00 H new ATOM 895 N ARG A 56 -8.000 -1.301 -0.714 1.00 0.00 N ATOM 896 CA ARG A 56 -7.216 -2.433 -1.215 1.00 0.00 C ATOM 897 C ARG A 56 -6.240 -2.948 -0.164 1.00 0.00 C ATOM 898 O ARG A 56 -5.499 -3.905 -0.415 1.00 0.00 O ATOM 899 CB ARG A 56 -6.439 -2.005 -2.451 1.00 0.00 C ATOM 900 CG ARG A 56 -7.310 -1.516 -3.584 1.00 0.00 C ATOM 901 CD ARG A 56 -6.477 -0.849 -4.650 1.00 0.00 C ATOM 902 NE ARG A 56 -7.273 -0.406 -5.787 1.00 0.00 N ATOM 903 CZ ARG A 56 -6.811 0.402 -6.738 1.00 0.00 C ATOM 904 NH1 ARG A 56 -5.590 0.912 -6.642 1.00 0.00 N ATOM 905 NH2 ARG A 56 -7.576 0.719 -7.769 1.00 0.00 N ATOM 0 H ARG A 56 -7.473 -0.432 -0.627 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.909 -3.238 -1.461 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.742 -1.214 -2.174 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.842 -2.847 -2.802 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.858 -2.354 -4.015 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.051 -0.813 -3.202 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.959 0.007 -4.218 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.712 -1.544 -4.996 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.237 -0.733 -5.858 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.004 0.685 -5.839 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.237 1.531 -7.372 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.522 0.344 -7.836 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.220 1.339 -8.497 1.00 0.00 H new ATOM 919 N ASP A 57 -6.245 -2.308 0.992 1.00 0.00 N ATOM 920 CA ASP A 57 -5.296 -2.597 2.073 1.00 0.00 C ATOM 921 C ASP A 57 -5.254 -4.074 2.440 1.00 0.00 C ATOM 922 O ASP A 57 -6.245 -4.636 2.904 1.00 0.00 O ATOM 923 CB ASP A 57 -5.639 -1.767 3.317 1.00 0.00 C ATOM 924 CG ASP A 57 -4.547 -1.804 4.374 1.00 0.00 C ATOM 925 OD1 ASP A 57 -4.518 -0.891 5.234 1.00 0.00 O ATOM 926 OD2 ASP A 57 -3.698 -2.718 4.333 1.00 0.00 O ATOM 0 H ASP A 57 -6.909 -1.567 1.217 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.307 -2.325 1.703 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.815 -0.733 3.020 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.569 -2.137 3.749 1.00 0.00 H new ATOM 931 N TYR A 58 -4.123 -4.712 2.164 1.00 0.00 N ATOM 932 CA TYR A 58 -3.910 -6.082 2.580 1.00 0.00 C ATOM 933 C TYR A 58 -2.708 -6.181 3.525 1.00 0.00 C ATOM 934 O TYR A 58 -2.850 -6.521 4.697 1.00 0.00 O ATOM 935 CB TYR A 58 -3.705 -6.984 1.369 1.00 0.00 C ATOM 936 CG TYR A 58 -3.698 -8.460 1.707 1.00 0.00 C ATOM 937 CD1 TYR A 58 -4.735 -9.027 2.437 1.00 0.00 C ATOM 938 CD2 TYR A 58 -2.662 -9.285 1.297 1.00 0.00 C ATOM 939 CE1 TYR A 58 -4.736 -10.371 2.750 1.00 0.00 C ATOM 940 CE2 TYR A 58 -2.657 -10.630 1.605 1.00 0.00 C ATOM 941 CZ TYR A 58 -3.695 -11.166 2.333 1.00 0.00 C ATOM 942 OH TYR A 58 -3.695 -12.509 2.645 1.00 0.00 O ATOM 0 H TYR A 58 -3.343 -4.298 1.654 1.00 0.00 H new ATOM 0 HA TYR A 58 -4.799 -6.416 3.116 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.495 -6.790 0.644 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.761 -6.725 0.889 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.555 -8.405 2.765 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.845 -8.868 0.727 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.550 -10.796 3.319 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.843 -11.259 1.277 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.891 -12.930 2.277 1.00 0.00 H new ATOM 952 N LEU A 59 -1.518 -5.898 2.991 1.00 0.00 N ATOM 953 CA LEU A 59 -0.288 -5.913 3.787 1.00 0.00 C ATOM 954 C LEU A 59 -0.105 -4.618 4.573 1.00 0.00 C ATOM 955 O LEU A 59 0.553 -4.591 5.614 1.00 0.00 O ATOM 956 CB LEU A 59 0.941 -6.145 2.911 1.00 0.00 C ATOM 957 CG LEU A 59 1.062 -7.511 2.201 1.00 0.00 C ATOM 958 CD1 LEU A 59 0.514 -8.637 3.055 1.00 0.00 C ATOM 959 CD2 LEU A 59 0.405 -7.484 0.833 1.00 0.00 C ATOM 0 H LEU A 59 -1.380 -5.655 2.010 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.388 -6.740 4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.963 -5.366 2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.827 -6.008 3.531 1.00 0.00 H new ATOM 0 HG LEU A 59 2.124 -7.705 2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.617 -9.582 2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.070 -8.687 3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.539 -8.453 3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.508 -8.461 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.653 -7.244 0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.887 -6.728 0.213 1.00 0.00 H new ATOM 971 N LYS A 60 -0.654 -3.543 4.032 1.00 0.00 N ATOM 972 CA LYS A 60 -0.522 -2.199 4.607 1.00 0.00 C ATOM 973 C LYS A 60 -1.047 -2.146 6.061 1.00 0.00 C ATOM 974 O LYS A 60 -0.647 -1.273 6.840 1.00 0.00 O ATOM 975 CB LYS A 60 -1.242 -1.169 3.713 1.00 0.00 C ATOM 976 CG LYS A 60 -0.520 0.174 3.566 1.00 0.00 C ATOM 977 CD LYS A 60 0.853 0.022 2.900 1.00 0.00 C ATOM 978 CE LYS A 60 0.760 -0.562 1.479 1.00 0.00 C ATOM 979 NZ LYS A 60 0.072 0.352 0.521 1.00 0.00 N ATOM 0 H LYS A 60 -1.209 -3.570 3.176 1.00 0.00 H new ATOM 0 HA LYS A 60 0.538 -1.946 4.644 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.378 -1.602 2.722 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.236 -0.988 4.121 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.135 0.853 2.976 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.397 0.628 4.549 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.342 0.995 2.858 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.481 -0.624 3.514 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.764 -0.776 1.113 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.226 -1.511 1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.452 0.202 -0.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.949 0.153 0.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.233 1.339 0.806 1.00 0.00 H new ATOM 993 N PHE A 61 -1.954 -3.081 6.400 1.00 0.00 N ATOM 994 CA PHE A 61 -2.538 -3.229 7.760 1.00 0.00 C ATOM 995 C PHE A 61 -1.488 -3.188 8.890 1.00 0.00 C ATOM 996 O PHE A 61 -1.838 -2.981 10.051 1.00 0.00 O ATOM 997 CB PHE A 61 -3.308 -4.554 7.864 1.00 0.00 C ATOM 998 CG PHE A 61 -4.736 -4.499 7.395 1.00 0.00 C ATOM 999 CD1 PHE A 61 -5.112 -5.032 6.170 1.00 0.00 C ATOM 1000 CD2 PHE A 61 -5.710 -3.930 8.197 1.00 0.00 C ATOM 1001 CE1 PHE A 61 -6.429 -4.995 5.764 1.00 0.00 C ATOM 1002 CE2 PHE A 61 -7.027 -3.889 7.787 1.00 0.00 C ATOM 1003 CZ PHE A 61 -7.385 -4.423 6.570 1.00 0.00 C ATOM 0 H PHE A 61 -2.311 -3.766 5.734 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.201 -2.374 7.893 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.780 -5.310 7.283 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.295 -4.883 8.903 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.367 -5.480 5.529 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.436 -3.513 9.155 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.711 -5.416 4.810 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.776 -3.438 8.421 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.416 -4.393 6.248 1.00 0.00 H new