USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 483 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 Single : A 12 ASN : amide:sc= -0.033 K(o=-0.033,f=-0.93) USER MOD Single : A 13 THR OG1 : rot -170:sc= -0.369 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -154:sc= -0.212 (180deg=-0.405) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -126:sc= -0.0914 (180deg=-0.601) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.806! X(o=-0.81!,f=-0.71) USER MOD Single : A 35 SER OG : rot 180:sc= 0.249 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 MET CE :methyl -173:sc= 0 (180deg=-0.0465) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -150:sc= -1.2 (180deg=-2.45!) USER MOD Single : A 45 ASN : amide:sc= -1.42 K(o=-1.4,f=-2.7!) USER MOD Single : A 49 TYR OH : rot -29:sc= -2.52! USER MOD Single : A 50 SER OG : rot 84:sc= 0.851 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 136:sc= 0.832 (180deg=-0.938!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.6!) USER MOD Single : A 63 ASN : amide:sc= -2.08 X(o=-2.1,f=-2.4) USER MOD Single : A 65 TYR OH : rot -146:sc= 0.448 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 137 N TRP A 11 13.360 0.495 -1.434 1.00 0.00 N ATOM 138 CA TRP A 11 12.855 1.879 -1.661 1.00 0.00 C ATOM 139 C TRP A 11 13.846 2.902 -1.101 1.00 0.00 C ATOM 140 O TRP A 11 14.117 2.935 0.083 1.00 0.00 O ATOM 141 CB TRP A 11 11.529 1.943 -0.903 1.00 0.00 C ATOM 142 CG TRP A 11 10.457 1.298 -1.717 1.00 0.00 C ATOM 143 CD1 TRP A 11 9.717 1.928 -2.653 1.00 0.00 C ATOM 144 CD2 TRP A 11 9.996 -0.084 -1.689 1.00 0.00 C ATOM 145 NE1 TRP A 11 8.817 1.027 -3.191 1.00 0.00 N ATOM 146 CE2 TRP A 11 8.952 -0.227 -2.634 1.00 0.00 C ATOM 147 CE3 TRP A 11 10.373 -1.214 -0.943 1.00 0.00 C ATOM 148 CZ2 TRP A 11 8.306 -1.446 -2.830 1.00 0.00 C ATOM 149 CZ3 TRP A 11 9.726 -2.442 -1.142 1.00 0.00 C ATOM 150 CH2 TRP A 11 8.694 -2.557 -2.081 1.00 0.00 C ATOM 0 HA TRP A 11 12.731 2.107 -2.720 1.00 0.00 H new ATOM 0 HB2 TRP A 11 11.623 1.438 0.059 1.00 0.00 H new ATOM 0 HB3 TRP A 11 11.267 2.980 -0.694 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.812 2.966 -2.936 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.135 1.262 -3.913 1.00 0.00 H new ATOM 0 HE3 TRP A 11 11.165 -1.136 -0.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.511 -1.530 -3.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 10.026 -3.305 -0.567 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.198 -3.506 -2.225 1.00 0.00 H new ATOM 161 N ASN A 12 14.386 3.736 -1.945 1.00 0.00 N ATOM 162 CA ASN A 12 15.360 4.756 -1.463 1.00 0.00 C ATOM 163 C ASN A 12 14.688 6.130 -1.379 1.00 0.00 C ATOM 164 O ASN A 12 15.261 7.081 -0.889 1.00 0.00 O ATOM 165 CB ASN A 12 16.472 4.767 -2.512 1.00 0.00 C ATOM 166 CG ASN A 12 17.805 5.094 -1.840 1.00 0.00 C ATOM 167 OD1 ASN A 12 17.836 5.662 -0.767 1.00 0.00 O ATOM 168 ND2 ASN A 12 18.919 4.758 -2.432 1.00 0.00 N ATOM 0 H ASN A 12 14.196 3.756 -2.947 1.00 0.00 H new ATOM 0 HA ASN A 12 15.740 4.527 -0.468 1.00 0.00 H new ATOM 0 HB2 ASN A 12 16.530 3.797 -3.006 1.00 0.00 H new ATOM 0 HB3 ASN A 12 16.251 5.505 -3.284 1.00 0.00 H new ATOM 0 HD21 ASN A 12 19.815 4.973 -1.993 1.00 0.00 H new ATOM 0 HD22 ASN A 12 18.894 4.281 -3.333 1.00 0.00 H new ATOM 175 N THR A 13 13.478 6.240 -1.855 1.00 0.00 N ATOM 176 CA THR A 13 12.774 7.552 -1.804 1.00 0.00 C ATOM 177 C THR A 13 11.368 7.380 -1.225 1.00 0.00 C ATOM 178 O THR A 13 10.763 6.332 -1.341 1.00 0.00 O ATOM 179 CB THR A 13 12.699 8.018 -3.258 1.00 0.00 C ATOM 180 OG1 THR A 13 12.421 6.904 -4.095 1.00 0.00 O ATOM 181 CG2 THR A 13 14.033 8.643 -3.665 1.00 0.00 C ATOM 0 H THR A 13 12.947 5.478 -2.277 1.00 0.00 H new ATOM 0 HA THR A 13 13.292 8.271 -1.170 1.00 0.00 H new ATOM 0 HB THR A 13 11.907 8.760 -3.362 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.528 7.165 -5.033 1.00 0.00 H new ATOM 0 HG21 THR A 13 13.978 8.975 -4.702 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.246 9.497 -3.022 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.828 7.904 -3.562 1.00 0.00 H new ATOM 189 N LYS A 14 10.843 8.399 -0.603 1.00 0.00 N ATOM 190 CA LYS A 14 9.476 8.294 -0.018 1.00 0.00 C ATOM 191 C LYS A 14 8.437 8.120 -1.128 1.00 0.00 C ATOM 192 O LYS A 14 7.497 7.361 -0.999 1.00 0.00 O ATOM 193 CB LYS A 14 9.256 9.614 0.722 1.00 0.00 C ATOM 194 CG LYS A 14 8.237 9.407 1.844 1.00 0.00 C ATOM 195 CD LYS A 14 8.919 8.741 3.040 1.00 0.00 C ATOM 196 CE LYS A 14 8.135 9.055 4.317 1.00 0.00 C ATOM 197 NZ LYS A 14 9.054 9.895 5.134 1.00 0.00 N ATOM 0 H LYS A 14 11.302 9.301 -0.474 1.00 0.00 H new ATOM 0 HA LYS A 14 9.377 7.435 0.646 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.199 9.973 1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.900 10.376 0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.810 10.365 2.143 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.413 8.787 1.491 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.971 7.663 2.888 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.944 9.099 3.133 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.210 9.586 4.092 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.859 8.143 4.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.588 10.152 6.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.923 9.361 5.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.294 10.759 4.608 1.00 0.00 H new ATOM 211 N GLU A 15 8.597 8.816 -2.221 1.00 0.00 N ATOM 212 CA GLU A 15 7.614 8.687 -3.337 1.00 0.00 C ATOM 213 C GLU A 15 7.529 7.234 -3.799 1.00 0.00 C ATOM 214 O GLU A 15 6.459 6.681 -3.958 1.00 0.00 O ATOM 215 CB GLU A 15 8.160 9.572 -4.459 1.00 0.00 C ATOM 216 CG GLU A 15 7.443 9.234 -5.768 1.00 0.00 C ATOM 217 CD GLU A 15 7.802 10.276 -6.829 1.00 0.00 C ATOM 218 OE1 GLU A 15 8.562 11.176 -6.514 1.00 0.00 O ATOM 219 OE2 GLU A 15 7.310 10.156 -7.939 1.00 0.00 O ATOM 0 H GLU A 15 9.364 9.467 -2.390 1.00 0.00 H new ATOM 0 HA GLU A 15 6.610 8.987 -3.035 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.013 10.623 -4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.233 9.418 -4.569 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.732 8.239 -6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.365 9.216 -5.610 1.00 0.00 H new ATOM 226 N GLU A 16 8.651 6.613 -4.017 1.00 0.00 N ATOM 227 CA GLU A 16 8.643 5.196 -4.473 1.00 0.00 C ATOM 228 C GLU A 16 7.981 4.304 -3.422 1.00 0.00 C ATOM 229 O GLU A 16 7.134 3.490 -3.729 1.00 0.00 O ATOM 230 CB GLU A 16 10.118 4.828 -4.638 1.00 0.00 C ATOM 231 CG GLU A 16 10.644 5.412 -5.950 1.00 0.00 C ATOM 232 CD GLU A 16 10.045 4.642 -7.126 1.00 0.00 C ATOM 233 OE1 GLU A 16 10.026 3.423 -7.061 1.00 0.00 O ATOM 234 OE2 GLU A 16 9.615 5.281 -8.072 1.00 0.00 O ATOM 0 H GLU A 16 9.576 7.025 -3.899 1.00 0.00 H new ATOM 0 HA GLU A 16 8.082 5.062 -5.398 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.696 5.213 -3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.236 3.744 -4.636 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.382 6.468 -6.021 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.732 5.351 -5.978 1.00 0.00 H new ATOM 241 N ALA A 17 8.360 4.454 -2.185 1.00 0.00 N ATOM 242 CA ALA A 17 7.754 3.616 -1.111 1.00 0.00 C ATOM 243 C ALA A 17 6.238 3.815 -1.089 1.00 0.00 C ATOM 244 O ALA A 17 5.473 2.868 -1.051 1.00 0.00 O ATOM 245 CB ALA A 17 8.385 4.120 0.187 1.00 0.00 C ATOM 0 H ALA A 17 9.064 5.121 -1.869 1.00 0.00 H new ATOM 0 HA ALA A 17 7.933 2.551 -1.260 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.989 3.551 1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.466 3.992 0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.150 5.176 0.320 1.00 0.00 H new ATOM 251 N LYS A 18 5.794 5.040 -1.126 1.00 0.00 N ATOM 252 CA LYS A 18 4.328 5.299 -1.119 1.00 0.00 C ATOM 253 C LYS A 18 3.717 4.786 -2.421 1.00 0.00 C ATOM 254 O LYS A 18 2.629 4.244 -2.438 1.00 0.00 O ATOM 255 CB LYS A 18 4.194 6.818 -1.021 1.00 0.00 C ATOM 256 CG LYS A 18 2.910 7.172 -0.266 1.00 0.00 C ATOM 257 CD LYS A 18 3.028 8.585 0.311 1.00 0.00 C ATOM 258 CE LYS A 18 3.506 8.510 1.763 1.00 0.00 C ATOM 259 NZ LYS A 18 4.868 9.114 1.751 1.00 0.00 N ATOM 0 H LYS A 18 6.383 5.872 -1.161 1.00 0.00 H new ATOM 0 HA LYS A 18 3.814 4.798 -0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.058 7.237 -0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.174 7.257 -2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.053 7.112 -0.937 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.738 6.454 0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.728 9.174 -0.283 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.064 9.091 0.261 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.837 9.057 2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.534 7.479 2.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.426 8.728 2.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.339 8.891 0.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.791 10.146 1.855 1.00 0.00 H new ATOM 273 N GLN A 19 4.414 4.945 -3.514 1.00 0.00 N ATOM 274 CA GLN A 19 3.876 4.458 -4.813 1.00 0.00 C ATOM 275 C GLN A 19 3.790 2.930 -4.797 1.00 0.00 C ATOM 276 O GLN A 19 2.870 2.350 -5.335 1.00 0.00 O ATOM 277 CB GLN A 19 4.873 4.932 -5.872 1.00 0.00 C ATOM 278 CG GLN A 19 4.134 5.176 -7.190 1.00 0.00 C ATOM 279 CD GLN A 19 5.139 5.208 -8.343 1.00 0.00 C ATOM 280 OE1 GLN A 19 5.414 6.255 -8.894 1.00 0.00 O ATOM 281 NE2 GLN A 19 5.698 4.098 -8.734 1.00 0.00 N ATOM 0 H GLN A 19 5.330 5.390 -3.562 1.00 0.00 H new ATOM 0 HA GLN A 19 2.874 4.836 -5.013 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.364 5.848 -5.542 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.654 4.185 -6.013 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.398 4.389 -7.357 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.588 6.118 -7.144 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.466 3.219 -8.271 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.367 4.108 -9.504 1.00 0.00 H new ATOM 290 N ALA A 20 4.730 2.268 -4.172 1.00 0.00 N ATOM 291 CA ALA A 20 4.665 0.779 -4.123 1.00 0.00 C ATOM 292 C ALA A 20 3.502 0.362 -3.226 1.00 0.00 C ATOM 293 O ALA A 20 2.836 -0.624 -3.474 1.00 0.00 O ATOM 294 CB ALA A 20 6.001 0.318 -3.531 1.00 0.00 C ATOM 0 H ALA A 20 5.530 2.689 -3.699 1.00 0.00 H new ATOM 0 HA ALA A 20 4.504 0.336 -5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.015 -0.770 -3.469 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.818 0.656 -4.169 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.122 0.740 -2.533 1.00 0.00 H new ATOM 300 N PHE A 21 3.243 1.113 -2.189 1.00 0.00 N ATOM 301 CA PHE A 21 2.110 0.759 -1.287 1.00 0.00 C ATOM 302 C PHE A 21 0.789 0.995 -2.029 1.00 0.00 C ATOM 303 O PHE A 21 -0.104 0.169 -2.012 1.00 0.00 O ATOM 304 CB PHE A 21 2.242 1.704 -0.092 1.00 0.00 C ATOM 305 CG PHE A 21 1.758 1.007 1.160 1.00 0.00 C ATOM 306 CD1 PHE A 21 2.511 -0.042 1.699 1.00 0.00 C ATOM 307 CD2 PHE A 21 0.571 1.413 1.788 1.00 0.00 C ATOM 308 CE1 PHE A 21 2.081 -0.687 2.864 1.00 0.00 C ATOM 309 CE2 PHE A 21 0.144 0.766 2.958 1.00 0.00 C ATOM 310 CZ PHE A 21 0.900 -0.283 3.491 1.00 0.00 C ATOM 0 H PHE A 21 3.763 1.951 -1.929 1.00 0.00 H new ATOM 0 HA PHE A 21 2.126 -0.284 -0.969 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.281 2.011 0.029 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.660 2.609 -0.265 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.425 -0.354 1.215 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.013 2.221 1.372 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.662 -1.497 3.278 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.767 1.078 3.446 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.570 -0.782 4.390 1.00 0.00 H new ATOM 320 N LYS A 22 0.667 2.108 -2.705 1.00 0.00 N ATOM 321 CA LYS A 22 -0.585 2.375 -3.469 1.00 0.00 C ATOM 322 C LYS A 22 -0.671 1.388 -4.632 1.00 0.00 C ATOM 323 O LYS A 22 -1.680 0.743 -4.844 1.00 0.00 O ATOM 324 CB LYS A 22 -0.445 3.807 -3.986 1.00 0.00 C ATOM 325 CG LYS A 22 -1.348 4.734 -3.173 1.00 0.00 C ATOM 326 CD LYS A 22 -2.223 5.556 -4.122 1.00 0.00 C ATOM 327 CE LYS A 22 -1.503 6.857 -4.488 1.00 0.00 C ATOM 328 NZ LYS A 22 -2.575 7.758 -4.993 1.00 0.00 N ATOM 0 H LYS A 22 1.376 2.839 -2.760 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.485 2.260 -2.865 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.592 4.133 -3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.715 3.852 -5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.974 4.150 -2.499 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.743 5.396 -2.553 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.438 4.982 -5.023 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.180 5.779 -3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.000 7.288 -3.622 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.740 6.686 -5.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.161 8.672 -5.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.031 7.325 -5.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.283 7.907 -4.246 1.00 0.00 H new ATOM 342 N GLU A 23 0.397 1.245 -5.370 1.00 0.00 N ATOM 343 CA GLU A 23 0.389 0.277 -6.500 1.00 0.00 C ATOM 344 C GLU A 23 0.113 -1.116 -5.940 1.00 0.00 C ATOM 345 O GLU A 23 -0.513 -1.943 -6.572 1.00 0.00 O ATOM 346 CB GLU A 23 1.791 0.351 -7.105 1.00 0.00 C ATOM 347 CG GLU A 23 1.741 -0.112 -8.563 1.00 0.00 C ATOM 348 CD GLU A 23 3.070 0.207 -9.246 1.00 0.00 C ATOM 349 OE1 GLU A 23 3.758 1.097 -8.772 1.00 0.00 O ATOM 350 OE2 GLU A 23 3.380 -0.444 -10.230 1.00 0.00 O ATOM 0 H GLU A 23 1.270 1.755 -5.239 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.372 0.496 -7.249 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.170 1.372 -7.049 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.478 -0.276 -6.536 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.545 -1.183 -8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.923 0.385 -9.085 1.00 0.00 H new ATOM 357 N LEU A 24 0.563 -1.367 -4.740 1.00 0.00 N ATOM 358 CA LEU A 24 0.312 -2.693 -4.115 1.00 0.00 C ATOM 359 C LEU A 24 -1.196 -2.891 -3.970 1.00 0.00 C ATOM 360 O LEU A 24 -1.738 -3.918 -4.326 1.00 0.00 O ATOM 361 CB LEU A 24 0.985 -2.617 -2.740 1.00 0.00 C ATOM 362 CG LEU A 24 0.735 -3.909 -1.961 1.00 0.00 C ATOM 363 CD1 LEU A 24 0.929 -5.120 -2.876 1.00 0.00 C ATOM 364 CD2 LEU A 24 1.725 -3.993 -0.795 1.00 0.00 C ATOM 0 H LEU A 24 1.093 -0.710 -4.167 1.00 0.00 H new ATOM 0 HA LEU A 24 0.701 -3.525 -4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.057 -2.457 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.595 -1.766 -2.182 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.287 -3.907 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.749 -6.035 -2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.228 -5.063 -3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.949 -5.126 -3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.551 -4.912 -0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.744 -3.991 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.585 -3.136 -0.136 1.00 0.00 H new ATOM 376 N LEU A 25 -1.879 -1.900 -3.465 1.00 0.00 N ATOM 377 CA LEU A 25 -3.357 -2.017 -3.314 1.00 0.00 C ATOM 378 C LEU A 25 -3.997 -2.232 -4.686 1.00 0.00 C ATOM 379 O LEU A 25 -4.935 -2.993 -4.836 1.00 0.00 O ATOM 380 CB LEU A 25 -3.802 -0.682 -2.720 1.00 0.00 C ATOM 381 CG LEU A 25 -3.771 -0.766 -1.197 1.00 0.00 C ATOM 382 CD1 LEU A 25 -2.881 0.347 -0.644 1.00 0.00 C ATOM 383 CD2 LEU A 25 -5.190 -0.601 -0.653 1.00 0.00 C ATOM 0 H LEU A 25 -1.478 -1.016 -3.151 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.649 -2.857 -2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.146 0.118 -3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.808 -0.438 -3.061 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.373 -1.734 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.858 0.288 0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.870 0.232 -1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.279 1.315 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.172 -0.661 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.586 0.368 -0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.826 -1.393 -1.049 1.00 0.00 H new ATOM 395 N LYS A 26 -3.492 -1.569 -5.693 1.00 0.00 N ATOM 396 CA LYS A 26 -4.067 -1.743 -7.057 1.00 0.00 C ATOM 397 C LYS A 26 -3.865 -3.190 -7.509 1.00 0.00 C ATOM 398 O LYS A 26 -4.767 -3.825 -8.016 1.00 0.00 O ATOM 399 CB LYS A 26 -3.282 -0.784 -7.951 1.00 0.00 C ATOM 400 CG LYS A 26 -4.174 -0.315 -9.101 1.00 0.00 C ATOM 401 CD LYS A 26 -3.345 0.512 -10.084 1.00 0.00 C ATOM 402 CE LYS A 26 -3.476 -0.081 -11.489 1.00 0.00 C ATOM 403 NZ LYS A 26 -3.183 1.048 -12.417 1.00 0.00 N ATOM 0 H LYS A 26 -2.710 -0.918 -5.630 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.136 -1.534 -7.093 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.938 0.072 -7.371 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.394 -1.280 -8.344 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.611 -1.174 -9.610 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.001 0.281 -8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.685 1.547 -10.082 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.299 0.520 -9.777 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.776 -0.904 -11.636 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.477 -0.479 -11.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.254 0.717 -13.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.869 1.814 -12.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.222 1.403 -12.240 1.00 0.00 H new ATOM 417 N GLU A 27 -2.691 -3.723 -7.305 1.00 0.00 N ATOM 418 CA GLU A 27 -2.445 -5.136 -7.700 1.00 0.00 C ATOM 419 C GLU A 27 -3.345 -6.040 -6.863 1.00 0.00 C ATOM 420 O GLU A 27 -3.726 -7.118 -7.272 1.00 0.00 O ATOM 421 CB GLU A 27 -0.972 -5.391 -7.378 1.00 0.00 C ATOM 422 CG GLU A 27 -0.095 -4.535 -8.293 1.00 0.00 C ATOM 423 CD GLU A 27 0.305 -5.352 -9.523 1.00 0.00 C ATOM 424 OE1 GLU A 27 0.218 -6.567 -9.457 1.00 0.00 O ATOM 425 OE2 GLU A 27 0.693 -4.748 -10.510 1.00 0.00 O ATOM 0 H GLU A 27 -1.896 -3.242 -6.884 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.658 -5.331 -8.751 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.770 -5.151 -6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.736 -6.447 -7.514 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.635 -3.639 -8.598 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.795 -4.204 -7.757 1.00 0.00 H new ATOM 432 N LYS A 28 -3.695 -5.590 -5.690 1.00 0.00 N ATOM 433 CA LYS A 28 -4.581 -6.393 -4.807 1.00 0.00 C ATOM 434 C LYS A 28 -6.043 -6.137 -5.178 1.00 0.00 C ATOM 435 O LYS A 28 -6.945 -6.780 -4.678 1.00 0.00 O ATOM 436 CB LYS A 28 -4.287 -5.890 -3.394 1.00 0.00 C ATOM 437 CG LYS A 28 -3.171 -6.730 -2.766 1.00 0.00 C ATOM 438 CD LYS A 28 -1.838 -6.438 -3.461 1.00 0.00 C ATOM 439 CE LYS A 28 -0.909 -7.643 -3.305 1.00 0.00 C ATOM 440 NZ LYS A 28 -1.435 -8.659 -4.260 1.00 0.00 N ATOM 0 H LYS A 28 -3.402 -4.693 -5.304 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.408 -7.465 -4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.991 -4.841 -3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.187 -5.949 -2.782 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.092 -6.507 -1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.411 -7.790 -2.852 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.005 -6.228 -4.517 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.376 -5.551 -3.028 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.123 -7.379 -3.537 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.919 -8.020 -2.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.613 -9.551 -3.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.323 -8.315 -4.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.737 -8.821 -5.014 1.00 0.00 H new ATOM 454 N ARG A 29 -6.282 -5.198 -6.054 1.00 0.00 N ATOM 455 CA ARG A 29 -7.682 -4.897 -6.463 1.00 0.00 C ATOM 456 C ARG A 29 -8.508 -4.472 -5.247 1.00 0.00 C ATOM 457 O ARG A 29 -9.681 -4.771 -5.145 1.00 0.00 O ATOM 458 CB ARG A 29 -8.210 -6.205 -7.051 1.00 0.00 C ATOM 459 CG ARG A 29 -8.038 -6.186 -8.571 1.00 0.00 C ATOM 460 CD ARG A 29 -8.655 -7.451 -9.173 1.00 0.00 C ATOM 461 NE ARG A 29 -7.552 -8.086 -9.949 1.00 0.00 N ATOM 462 CZ ARG A 29 -6.572 -8.682 -9.324 1.00 0.00 C ATOM 463 NH1 ARG A 29 -5.348 -8.259 -9.479 1.00 0.00 N ATOM 464 NH2 ARG A 29 -6.816 -9.701 -8.546 1.00 0.00 N ATOM 0 H ARG A 29 -5.567 -4.627 -6.504 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.739 -4.079 -7.181 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.672 -7.052 -6.624 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.262 -6.333 -6.795 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.516 -5.301 -8.990 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.980 -6.128 -8.827 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.025 -8.118 -8.395 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.502 -7.210 -9.816 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.563 -8.055 -10.968 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.157 -7.463 -10.088 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.582 -8.724 -8.991 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.773 -10.033 -8.425 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.050 -10.165 -8.059 1.00 0.00 H new ATOM 478 N VAL A 30 -7.905 -3.773 -4.323 1.00 0.00 N ATOM 479 CA VAL A 30 -8.662 -3.325 -3.118 1.00 0.00 C ATOM 480 C VAL A 30 -9.751 -2.329 -3.529 1.00 0.00 C ATOM 481 O VAL A 30 -9.498 -1.420 -4.293 1.00 0.00 O ATOM 482 CB VAL A 30 -7.621 -2.643 -2.229 1.00 0.00 C ATOM 483 CG1 VAL A 30 -8.316 -1.993 -1.031 1.00 0.00 C ATOM 484 CG2 VAL A 30 -6.613 -3.680 -1.729 1.00 0.00 C ATOM 0 H VAL A 30 -6.924 -3.494 -4.350 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.157 -4.150 -2.605 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.101 -1.879 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.573 -1.508 -0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.032 -1.251 -1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.839 -2.757 -0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.872 -3.192 -1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.134 -4.446 -1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.114 -4.142 -2.581 1.00 0.00 H new ATOM 494 N PRO A 31 -10.932 -2.532 -3.008 1.00 0.00 N ATOM 495 CA PRO A 31 -12.065 -1.634 -3.333 1.00 0.00 C ATOM 496 C PRO A 31 -11.863 -0.268 -2.674 1.00 0.00 C ATOM 497 O PRO A 31 -11.030 -0.103 -1.804 1.00 0.00 O ATOM 498 CB PRO A 31 -13.276 -2.354 -2.748 1.00 0.00 C ATOM 499 CG PRO A 31 -12.721 -3.217 -1.662 1.00 0.00 C ATOM 500 CD PRO A 31 -11.322 -3.599 -2.078 1.00 0.00 C ATOM 0 HA PRO A 31 -12.171 -1.443 -4.401 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.006 -1.646 -2.356 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.785 -2.950 -3.505 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -12.709 -2.683 -0.712 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.338 -4.105 -1.521 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.649 -3.650 -1.222 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.300 -4.577 -2.559 1.00 0.00 H new ATOM 508 N SER A 32 -12.614 0.715 -3.086 1.00 0.00 N ATOM 509 CA SER A 32 -12.461 2.072 -2.489 1.00 0.00 C ATOM 510 C SER A 32 -13.053 2.110 -1.077 1.00 0.00 C ATOM 511 O SER A 32 -12.910 3.082 -0.363 1.00 0.00 O ATOM 512 CB SER A 32 -13.239 3.003 -3.417 1.00 0.00 C ATOM 513 OG SER A 32 -14.630 2.734 -3.295 1.00 0.00 O ATOM 0 H SER A 32 -13.328 0.638 -3.811 1.00 0.00 H new ATOM 0 HA SER A 32 -11.414 2.362 -2.399 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.034 4.043 -3.162 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.918 2.858 -4.449 1.00 0.00 H new ATOM 0 HG SER A 32 -15.132 3.331 -3.888 1.00 0.00 H new ATOM 519 N ASN A 33 -13.722 1.065 -0.668 1.00 0.00 N ATOM 520 CA ASN A 33 -14.325 1.059 0.697 1.00 0.00 C ATOM 521 C ASN A 33 -13.730 -0.067 1.548 1.00 0.00 C ATOM 522 O ASN A 33 -14.299 -0.468 2.543 1.00 0.00 O ATOM 523 CB ASN A 33 -15.817 0.816 0.465 1.00 0.00 C ATOM 524 CG ASN A 33 -16.030 -0.622 -0.009 1.00 0.00 C ATOM 525 OD1 ASN A 33 -16.225 -0.864 -1.185 1.00 0.00 O ATOM 526 ND2 ASN A 33 -15.999 -1.595 0.860 1.00 0.00 N ATOM 0 H ASN A 33 -13.877 0.219 -1.217 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.134 1.990 1.231 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.373 0.993 1.386 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.199 1.516 -0.278 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.138 -2.558 0.553 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -15.836 -1.393 1.846 1.00 0.00 H new ATOM 533 N ALA A 34 -12.593 -0.583 1.169 1.00 0.00 N ATOM 534 CA ALA A 34 -11.979 -1.684 1.968 1.00 0.00 C ATOM 535 C ALA A 34 -11.531 -1.165 3.335 1.00 0.00 C ATOM 536 O ALA A 34 -11.166 -0.016 3.486 1.00 0.00 O ATOM 537 CB ALA A 34 -10.765 -2.145 1.160 1.00 0.00 C ATOM 0 H ALA A 34 -12.065 -0.293 0.346 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.685 -2.495 2.146 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.263 -2.955 1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.092 -2.497 0.181 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.074 -1.311 1.034 1.00 0.00 H new ATOM 543 N SER A 35 -11.536 -2.009 4.327 1.00 0.00 N ATOM 544 CA SER A 35 -11.087 -1.572 5.678 1.00 0.00 C ATOM 545 C SER A 35 -9.574 -1.746 5.773 1.00 0.00 C ATOM 546 O SER A 35 -9.005 -2.594 5.117 1.00 0.00 O ATOM 547 CB SER A 35 -11.790 -2.508 6.656 1.00 0.00 C ATOM 548 OG SER A 35 -11.206 -3.802 6.569 1.00 0.00 O ATOM 0 H SER A 35 -11.832 -2.983 4.261 1.00 0.00 H new ATOM 0 HA SER A 35 -11.321 -0.528 5.886 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.702 -2.124 7.672 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.854 -2.560 6.426 1.00 0.00 H new ATOM 0 HG SER A 35 -11.654 -4.406 7.197 1.00 0.00 H new ATOM 554 N TRP A 36 -8.907 -0.964 6.571 1.00 0.00 N ATOM 555 CA TRP A 36 -7.435 -1.133 6.658 1.00 0.00 C ATOM 556 C TRP A 36 -7.099 -2.607 6.896 1.00 0.00 C ATOM 557 O TRP A 36 -6.072 -3.093 6.473 1.00 0.00 O ATOM 558 CB TRP A 36 -6.965 -0.284 7.838 1.00 0.00 C ATOM 559 CG TRP A 36 -5.516 -0.568 8.052 1.00 0.00 C ATOM 560 CD1 TRP A 36 -4.937 -0.846 9.242 1.00 0.00 C ATOM 561 CD2 TRP A 36 -4.456 -0.629 7.055 1.00 0.00 C ATOM 562 NE1 TRP A 36 -3.587 -1.078 9.037 1.00 0.00 N ATOM 563 CE2 TRP A 36 -3.243 -0.954 7.704 1.00 0.00 C ATOM 564 CE3 TRP A 36 -4.431 -0.434 5.661 1.00 0.00 C ATOM 565 CZ2 TRP A 36 -2.047 -1.087 6.994 1.00 0.00 C ATOM 566 CZ3 TRP A 36 -3.231 -0.566 4.946 1.00 0.00 C ATOM 567 CH2 TRP A 36 -2.043 -0.892 5.612 1.00 0.00 C ATOM 0 H TRP A 36 -9.307 -0.230 7.155 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.943 -0.822 5.737 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.121 0.775 7.633 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.538 -0.523 8.734 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.444 -0.881 10.195 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.927 -1.312 9.779 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.342 -0.181 5.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.133 -1.339 7.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.223 -0.415 3.877 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.123 -0.993 5.056 1.00 0.00 H new ATOM 578 N GLU A 37 -7.957 -3.323 7.570 1.00 0.00 N ATOM 579 CA GLU A 37 -7.681 -4.765 7.828 1.00 0.00 C ATOM 580 C GLU A 37 -7.669 -5.546 6.511 1.00 0.00 C ATOM 581 O GLU A 37 -6.763 -6.308 6.236 1.00 0.00 O ATOM 582 CB GLU A 37 -8.832 -5.235 8.718 1.00 0.00 C ATOM 583 CG GLU A 37 -8.392 -5.209 10.182 1.00 0.00 C ATOM 584 CD GLU A 37 -7.605 -6.482 10.503 1.00 0.00 C ATOM 585 OE1 GLU A 37 -7.263 -7.193 9.574 1.00 0.00 O ATOM 586 OE2 GLU A 37 -7.358 -6.721 11.673 1.00 0.00 O ATOM 0 H GLU A 37 -8.835 -2.973 7.952 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.710 -4.921 8.299 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.700 -4.591 8.577 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.134 -6.244 8.436 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.775 -4.330 10.372 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.263 -5.134 10.833 1.00 0.00 H new ATOM 593 N GLN A 38 -8.670 -5.360 5.694 1.00 0.00 N ATOM 594 CA GLN A 38 -8.718 -6.092 4.395 1.00 0.00 C ATOM 595 C GLN A 38 -7.685 -5.519 3.422 1.00 0.00 C ATOM 596 O GLN A 38 -6.965 -6.246 2.766 1.00 0.00 O ATOM 597 CB GLN A 38 -10.135 -5.861 3.871 1.00 0.00 C ATOM 598 CG GLN A 38 -11.130 -6.632 4.739 1.00 0.00 C ATOM 599 CD GLN A 38 -12.075 -7.433 3.843 1.00 0.00 C ATOM 600 OE1 GLN A 38 -12.012 -8.646 3.803 1.00 0.00 O ATOM 601 NE2 GLN A 38 -12.957 -6.802 3.117 1.00 0.00 N ATOM 0 H GLN A 38 -9.456 -4.734 5.869 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.489 -7.152 4.507 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.371 -4.797 3.886 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.209 -6.190 2.834 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.597 -7.302 5.414 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.699 -5.940 5.360 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.010 -5.784 3.150 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.593 -7.327 2.517 1.00 0.00 H new ATOM 610 N ALA A 39 -7.606 -4.222 3.325 1.00 0.00 N ATOM 611 CA ALA A 39 -6.622 -3.605 2.392 1.00 0.00 C ATOM 612 C ALA A 39 -5.191 -3.895 2.856 1.00 0.00 C ATOM 613 O ALA A 39 -4.323 -4.188 2.061 1.00 0.00 O ATOM 614 CB ALA A 39 -6.909 -2.104 2.448 1.00 0.00 C ATOM 0 H ALA A 39 -8.179 -3.562 3.851 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.712 -4.001 1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.223 -1.577 1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.935 -1.918 2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.774 -1.746 3.469 1.00 0.00 H new ATOM 620 N MET A 40 -4.940 -3.808 4.138 1.00 0.00 N ATOM 621 CA MET A 40 -3.563 -4.070 4.653 1.00 0.00 C ATOM 622 C MET A 40 -3.174 -5.534 4.453 1.00 0.00 C ATOM 623 O MET A 40 -2.107 -5.833 3.971 1.00 0.00 O ATOM 624 CB MET A 40 -3.626 -3.744 6.143 1.00 0.00 C ATOM 625 CG MET A 40 -2.261 -3.996 6.783 1.00 0.00 C ATOM 626 SD MET A 40 -2.379 -3.744 8.572 1.00 0.00 S ATOM 627 CE MET A 40 -2.254 -5.483 9.052 1.00 0.00 C ATOM 0 H MET A 40 -5.630 -3.567 4.850 1.00 0.00 H new ATOM 0 HA MET A 40 -2.818 -3.472 4.127 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.919 -2.704 6.286 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.385 -4.358 6.628 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.929 -5.012 6.569 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.518 -3.321 6.358 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.429 -5.578 10.124 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.999 -6.065 8.509 1.00 0.00 H new ATOM 0 HE3 MET A 40 -1.258 -5.856 8.813 1.00 0.00 H new ATOM 637 N LYS A 41 -4.022 -6.449 4.828 1.00 0.00 N ATOM 638 CA LYS A 41 -3.676 -7.892 4.659 1.00 0.00 C ATOM 639 C LYS A 41 -3.445 -8.209 3.175 1.00 0.00 C ATOM 640 O LYS A 41 -2.453 -8.821 2.800 1.00 0.00 O ATOM 641 CB LYS A 41 -4.905 -8.631 5.196 1.00 0.00 C ATOM 642 CG LYS A 41 -4.887 -10.096 4.751 1.00 0.00 C ATOM 643 CD LYS A 41 -6.314 -10.648 4.787 1.00 0.00 C ATOM 644 CE LYS A 41 -6.349 -12.023 4.114 1.00 0.00 C ATOM 645 NZ LYS A 41 -7.726 -12.536 4.354 1.00 0.00 N ATOM 0 H LYS A 41 -4.936 -6.265 5.242 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.762 -8.179 5.179 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.923 -8.576 6.284 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.813 -8.147 4.837 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.477 -10.178 3.744 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.241 -10.680 5.407 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.658 -10.728 5.818 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.992 -9.964 4.276 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.137 -11.946 3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.600 -12.690 4.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.826 -13.476 3.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.897 -12.606 5.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.418 -11.885 3.931 1.00 0.00 H new ATOM 659 N MET A 42 -4.349 -7.790 2.331 1.00 0.00 N ATOM 660 CA MET A 42 -4.198 -8.059 0.874 1.00 0.00 C ATOM 661 C MET A 42 -2.879 -7.480 0.356 1.00 0.00 C ATOM 662 O MET A 42 -2.266 -8.019 -0.543 1.00 0.00 O ATOM 663 CB MET A 42 -5.382 -7.347 0.216 1.00 0.00 C ATOM 664 CG MET A 42 -6.693 -8.005 0.655 1.00 0.00 C ATOM 665 SD MET A 42 -7.390 -8.941 -0.728 1.00 0.00 S ATOM 666 CE MET A 42 -7.665 -7.538 -1.837 1.00 0.00 C ATOM 0 H MET A 42 -5.188 -7.271 2.590 1.00 0.00 H new ATOM 0 HA MET A 42 -4.184 -9.127 0.655 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.383 -6.293 0.493 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.288 -7.392 -0.869 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.514 -8.667 1.503 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.400 -7.245 0.987 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.520 -7.745 -2.481 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.863 -6.642 -1.248 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.778 -7.380 -2.451 1.00 0.00 H new ATOM 676 N ILE A 43 -2.447 -6.378 0.904 1.00 0.00 N ATOM 677 CA ILE A 43 -1.178 -5.759 0.425 1.00 0.00 C ATOM 678 C ILE A 43 0.021 -6.281 1.222 1.00 0.00 C ATOM 679 O ILE A 43 1.135 -6.298 0.739 1.00 0.00 O ATOM 680 CB ILE A 43 -1.364 -4.259 0.648 1.00 0.00 C ATOM 681 CG1 ILE A 43 -1.395 -3.959 2.146 1.00 0.00 C ATOM 682 CG2 ILE A 43 -2.677 -3.804 0.012 1.00 0.00 C ATOM 683 CD1 ILE A 43 -1.263 -2.449 2.355 1.00 0.00 C ATOM 0 H ILE A 43 -2.916 -5.880 1.661 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.977 -5.998 -0.619 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.533 -3.724 0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.326 -4.319 2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.583 -4.481 2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.807 -2.734 0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.654 -4.010 -1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.508 -4.343 0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.284 -2.226 3.422 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.320 -2.104 1.931 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.091 -1.940 1.861 1.00 0.00 H new ATOM 695 N ILE A 44 -0.190 -6.711 2.433 1.00 0.00 N ATOM 696 CA ILE A 44 0.951 -7.227 3.237 1.00 0.00 C ATOM 697 C ILE A 44 1.479 -8.505 2.586 1.00 0.00 C ATOM 698 O ILE A 44 2.670 -8.735 2.521 1.00 0.00 O ATOM 699 CB ILE A 44 0.378 -7.486 4.642 1.00 0.00 C ATOM 700 CG1 ILE A 44 1.443 -7.151 5.689 1.00 0.00 C ATOM 701 CG2 ILE A 44 -0.038 -8.952 4.798 1.00 0.00 C ATOM 702 CD1 ILE A 44 0.786 -6.449 6.879 1.00 0.00 C ATOM 0 H ILE A 44 -1.097 -6.728 2.899 1.00 0.00 H new ATOM 0 HA ILE A 44 1.789 -6.532 3.293 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.501 -6.857 4.782 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.941 -8.062 6.020 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.209 -6.510 5.252 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.440 -9.112 5.799 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.800 -9.195 4.058 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.830 -9.594 4.649 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.544 -6.210 7.625 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.308 -5.530 6.541 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.037 -7.106 7.321 1.00 0.00 H new ATOM 714 N ASN A 45 0.600 -9.330 2.083 1.00 0.00 N ATOM 715 CA ASN A 45 1.069 -10.578 1.418 1.00 0.00 C ATOM 716 C ASN A 45 2.130 -10.233 0.365 1.00 0.00 C ATOM 717 O ASN A 45 2.910 -11.069 -0.047 1.00 0.00 O ATOM 718 CB ASN A 45 -0.177 -11.166 0.754 1.00 0.00 C ATOM 719 CG ASN A 45 -1.247 -11.425 1.816 1.00 0.00 C ATOM 720 OD1 ASN A 45 -2.377 -11.002 1.672 1.00 0.00 O ATOM 721 ND2 ASN A 45 -0.937 -12.108 2.885 1.00 0.00 N ATOM 0 H ASN A 45 -0.411 -9.196 2.103 1.00 0.00 H new ATOM 0 HA ASN A 45 1.523 -11.281 2.117 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.558 -10.479 -0.001 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.075 -12.095 0.242 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.643 -12.286 3.599 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.011 -12.463 3.006 1.00 0.00 H new ATOM 728 N ASP A 46 2.162 -8.999 -0.070 1.00 0.00 N ATOM 729 CA ASP A 46 3.164 -8.576 -1.093 1.00 0.00 C ATOM 730 C ASP A 46 4.321 -7.828 -0.420 1.00 0.00 C ATOM 731 O ASP A 46 4.122 -7.124 0.551 1.00 0.00 O ATOM 732 CB ASP A 46 2.392 -7.648 -2.032 1.00 0.00 C ATOM 733 CG ASP A 46 3.230 -7.355 -3.275 1.00 0.00 C ATOM 734 OD1 ASP A 46 3.170 -8.142 -4.205 1.00 0.00 O ATOM 735 OD2 ASP A 46 3.921 -6.349 -3.277 1.00 0.00 O ATOM 0 H ASP A 46 1.531 -8.261 0.243 1.00 0.00 H new ATOM 0 HA ASP A 46 3.603 -9.421 -1.624 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.448 -8.110 -2.320 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.148 -6.718 -1.519 1.00 0.00 H new ATOM 740 N PRO A 47 5.500 -8.006 -0.959 1.00 0.00 N ATOM 741 CA PRO A 47 6.707 -7.341 -0.399 1.00 0.00 C ATOM 742 C PRO A 47 6.581 -5.821 -0.504 1.00 0.00 C ATOM 743 O PRO A 47 7.245 -5.084 0.198 1.00 0.00 O ATOM 744 CB PRO A 47 7.846 -7.873 -1.274 1.00 0.00 C ATOM 745 CG PRO A 47 7.176 -8.288 -2.541 1.00 0.00 C ATOM 746 CD PRO A 47 5.826 -8.818 -2.135 1.00 0.00 C ATOM 0 HA PRO A 47 6.863 -7.549 0.659 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.599 -7.106 -1.455 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.353 -8.713 -0.799 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.076 -7.445 -3.225 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.757 -9.052 -3.059 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.088 -8.696 -2.928 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.864 -9.881 -1.895 1.00 0.00 H new ATOM 754 N ARG A 48 5.727 -5.343 -1.364 1.00 0.00 N ATOM 755 CA ARG A 48 5.552 -3.874 -1.498 1.00 0.00 C ATOM 756 C ARG A 48 5.093 -3.276 -0.170 1.00 0.00 C ATOM 757 O ARG A 48 5.294 -2.107 0.096 1.00 0.00 O ATOM 758 CB ARG A 48 4.497 -3.705 -2.582 1.00 0.00 C ATOM 759 CG ARG A 48 5.129 -4.036 -3.930 1.00 0.00 C ATOM 760 CD ARG A 48 5.310 -2.753 -4.736 1.00 0.00 C ATOM 761 NE ARG A 48 4.002 -2.561 -5.413 1.00 0.00 N ATOM 762 CZ ARG A 48 3.960 -2.212 -6.670 1.00 0.00 C ATOM 763 NH1 ARG A 48 4.885 -1.435 -7.163 1.00 0.00 N ATOM 764 NH2 ARG A 48 2.995 -2.642 -7.435 1.00 0.00 N ATOM 0 H ARG A 48 5.143 -5.908 -1.980 1.00 0.00 H new ATOM 0 HA ARG A 48 6.477 -3.360 -1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.649 -4.362 -2.390 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.116 -2.684 -2.583 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.092 -4.524 -3.782 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.498 -4.736 -4.477 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.553 -1.908 -4.091 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.122 -2.847 -5.457 1.00 0.00 H new ATOM 0 HE ARG A 48 3.135 -2.702 -4.895 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.641 -1.100 -6.566 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.852 -1.162 -8.145 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.273 -3.251 -7.051 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.963 -2.369 -8.417 1.00 0.00 H new ATOM 778 N TYR A 49 4.478 -4.063 0.671 1.00 0.00 N ATOM 779 CA TYR A 49 4.015 -3.522 1.979 1.00 0.00 C ATOM 780 C TYR A 49 5.210 -2.974 2.761 1.00 0.00 C ATOM 781 O TYR A 49 5.106 -1.998 3.488 1.00 0.00 O ATOM 782 CB TYR A 49 3.393 -4.710 2.711 1.00 0.00 C ATOM 783 CG TYR A 49 2.600 -4.200 3.887 1.00 0.00 C ATOM 784 CD1 TYR A 49 1.357 -3.602 3.673 1.00 0.00 C ATOM 785 CD2 TYR A 49 3.106 -4.325 5.187 1.00 0.00 C ATOM 786 CE1 TYR A 49 0.614 -3.125 4.755 1.00 0.00 C ATOM 787 CE2 TYR A 49 2.362 -3.848 6.274 1.00 0.00 C ATOM 788 CZ TYR A 49 1.114 -3.248 6.057 1.00 0.00 C ATOM 789 OH TYR A 49 0.380 -2.777 7.126 1.00 0.00 O ATOM 0 H TYR A 49 4.278 -5.050 0.510 1.00 0.00 H new ATOM 0 HA TYR A 49 3.301 -2.707 1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.747 -5.272 2.036 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.172 -5.393 3.050 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.969 -3.508 2.669 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.068 -4.788 5.351 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.347 -2.661 4.587 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.749 -3.942 7.278 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.181 -2.028 6.833 1.00 0.00 H new ATOM 799 N SER A 50 6.353 -3.576 2.601 1.00 0.00 N ATOM 800 CA SER A 50 7.550 -3.077 3.326 1.00 0.00 C ATOM 801 C SER A 50 7.980 -1.740 2.724 1.00 0.00 C ATOM 802 O SER A 50 8.857 -1.070 3.233 1.00 0.00 O ATOM 803 CB SER A 50 8.629 -4.143 3.119 1.00 0.00 C ATOM 804 OG SER A 50 8.095 -5.221 2.359 1.00 0.00 O ATOM 0 H SER A 50 6.509 -4.387 2.003 1.00 0.00 H new ATOM 0 HA SER A 50 7.362 -2.913 4.387 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.487 -3.711 2.604 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.986 -4.506 4.083 1.00 0.00 H new ATOM 0 HG SER A 50 8.147 -5.006 1.404 1.00 0.00 H new ATOM 810 N ALA A 51 7.342 -1.331 1.658 1.00 0.00 N ATOM 811 CA ALA A 51 7.686 -0.022 1.048 1.00 0.00 C ATOM 812 C ALA A 51 7.413 1.073 2.076 1.00 0.00 C ATOM 813 O ALA A 51 7.965 2.153 2.016 1.00 0.00 O ATOM 814 CB ALA A 51 6.750 0.118 -0.153 1.00 0.00 C ATOM 0 H ALA A 51 6.600 -1.849 1.188 1.00 0.00 H new ATOM 0 HA ALA A 51 8.730 0.052 0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.944 1.064 -0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.922 -0.705 -0.847 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.715 0.094 0.188 1.00 0.00 H new ATOM 820 N LEU A 52 6.568 0.789 3.035 1.00 0.00 N ATOM 821 CA LEU A 52 6.266 1.804 4.085 1.00 0.00 C ATOM 822 C LEU A 52 6.643 1.248 5.461 1.00 0.00 C ATOM 823 O LEU A 52 6.156 0.219 5.882 1.00 0.00 O ATOM 824 CB LEU A 52 4.758 2.055 3.987 1.00 0.00 C ATOM 825 CG LEU A 52 4.436 2.847 2.712 1.00 0.00 C ATOM 826 CD1 LEU A 52 3.036 3.452 2.825 1.00 0.00 C ATOM 827 CD2 LEU A 52 5.452 3.976 2.526 1.00 0.00 C ATOM 0 H LEU A 52 6.077 -0.099 3.135 1.00 0.00 H new ATOM 0 HA LEU A 52 6.828 2.728 3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.223 1.105 3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.416 2.606 4.863 1.00 0.00 H new ATOM 0 HG LEU A 52 4.482 2.173 1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.808 4.014 1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.304 2.654 2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.996 4.119 3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.216 4.532 1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.412 4.647 3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.454 3.554 2.442 1.00 0.00 H new ATOM 839 N ALA A 53 7.526 1.914 6.153 1.00 0.00 N ATOM 840 CA ALA A 53 7.958 1.418 7.492 1.00 0.00 C ATOM 841 C ALA A 53 6.904 1.716 8.566 1.00 0.00 C ATOM 842 O ALA A 53 6.681 0.925 9.460 1.00 0.00 O ATOM 843 CB ALA A 53 9.249 2.178 7.790 1.00 0.00 C ATOM 0 H ALA A 53 7.968 2.782 5.849 1.00 0.00 H new ATOM 0 HA ALA A 53 8.097 0.337 7.494 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.636 1.871 8.762 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.988 1.957 7.019 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.046 3.249 7.802 1.00 0.00 H new ATOM 849 N LYS A 54 6.265 2.853 8.502 1.00 0.00 N ATOM 850 CA LYS A 54 5.246 3.187 9.542 1.00 0.00 C ATOM 851 C LYS A 54 3.826 2.915 9.035 1.00 0.00 C ATOM 852 O LYS A 54 3.512 3.106 7.874 1.00 0.00 O ATOM 853 CB LYS A 54 5.436 4.678 9.821 1.00 0.00 C ATOM 854 CG LYS A 54 6.174 4.855 11.150 1.00 0.00 C ATOM 855 CD LYS A 54 5.159 5.048 12.278 1.00 0.00 C ATOM 856 CE LYS A 54 5.863 4.892 13.630 1.00 0.00 C ATOM 857 NZ LYS A 54 5.251 5.928 14.510 1.00 0.00 N ATOM 0 H LYS A 54 6.402 3.561 7.781 1.00 0.00 H new ATOM 0 HA LYS A 54 5.374 2.578 10.437 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.002 5.141 9.013 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.468 5.178 9.860 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.796 3.983 11.352 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.841 5.716 11.096 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.702 6.035 12.206 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.355 4.317 12.188 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.716 3.892 14.038 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.938 5.042 13.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.684 5.881 15.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.413 6.870 14.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.228 5.756 14.589 1.00 0.00 H new ATOM 871 N LEU A 55 2.960 2.476 9.902 1.00 0.00 N ATOM 872 CA LEU A 55 1.563 2.204 9.474 1.00 0.00 C ATOM 873 C LEU A 55 0.840 3.517 9.175 1.00 0.00 C ATOM 874 O LEU A 55 -0.038 3.573 8.338 1.00 0.00 O ATOM 875 CB LEU A 55 0.903 1.477 10.643 1.00 0.00 C ATOM 876 CG LEU A 55 0.214 0.209 10.125 1.00 0.00 C ATOM 877 CD1 LEU A 55 -0.772 -0.305 11.176 1.00 0.00 C ATOM 878 CD2 LEU A 55 -0.546 0.526 8.830 1.00 0.00 C ATOM 0 H LEU A 55 3.159 2.294 10.886 1.00 0.00 H new ATOM 0 HA LEU A 55 1.526 1.604 8.565 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.650 1.218 11.394 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.176 2.128 11.128 1.00 0.00 H new ATOM 0 HG LEU A 55 0.968 -0.553 9.927 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.261 -1.206 10.806 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.236 -0.535 12.097 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.523 0.459 11.375 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.035 -0.377 8.464 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.297 1.291 9.027 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.153 0.890 8.077 1.00 0.00 H new ATOM 890 N SER A 56 1.197 4.578 9.846 1.00 0.00 N ATOM 891 CA SER A 56 0.512 5.872 9.577 1.00 0.00 C ATOM 892 C SER A 56 0.654 6.210 8.095 1.00 0.00 C ATOM 893 O SER A 56 -0.299 6.589 7.440 1.00 0.00 O ATOM 894 CB SER A 56 1.238 6.902 10.439 1.00 0.00 C ATOM 895 OG SER A 56 0.712 8.195 10.167 1.00 0.00 O ATOM 0 H SER A 56 1.925 4.605 10.560 1.00 0.00 H new ATOM 0 HA SER A 56 -0.552 5.844 9.810 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.115 6.661 11.495 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.307 6.880 10.229 1.00 0.00 H new ATOM 0 HG SER A 56 1.174 8.859 10.720 1.00 0.00 H new ATOM 901 N GLU A 57 1.825 6.040 7.546 1.00 0.00 N ATOM 902 CA GLU A 57 1.996 6.316 6.095 1.00 0.00 C ATOM 903 C GLU A 57 1.304 5.204 5.309 1.00 0.00 C ATOM 904 O GLU A 57 0.708 5.438 4.276 1.00 0.00 O ATOM 905 CB GLU A 57 3.506 6.331 5.840 1.00 0.00 C ATOM 906 CG GLU A 57 4.130 5.026 6.323 1.00 0.00 C ATOM 907 CD GLU A 57 5.555 4.914 5.779 1.00 0.00 C ATOM 908 OE1 GLU A 57 6.131 5.943 5.469 1.00 0.00 O ATOM 909 OE2 GLU A 57 6.045 3.801 5.682 1.00 0.00 O ATOM 0 H GLU A 57 2.663 5.725 8.035 1.00 0.00 H new ATOM 0 HA GLU A 57 1.557 7.265 5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.702 6.465 4.776 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.962 7.175 6.357 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.141 4.997 7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.533 4.178 5.987 1.00 0.00 H new ATOM 916 N LYS A 58 1.351 3.992 5.809 1.00 0.00 N ATOM 917 CA LYS A 58 0.663 2.873 5.098 1.00 0.00 C ATOM 918 C LYS A 58 -0.825 3.205 4.961 1.00 0.00 C ATOM 919 O LYS A 58 -1.427 3.003 3.926 1.00 0.00 O ATOM 920 CB LYS A 58 0.841 1.646 6.000 1.00 0.00 C ATOM 921 CG LYS A 58 2.259 1.089 5.857 1.00 0.00 C ATOM 922 CD LYS A 58 2.254 -0.409 6.181 1.00 0.00 C ATOM 923 CE LYS A 58 3.519 -0.768 6.970 1.00 0.00 C ATOM 924 NZ LYS A 58 4.414 -1.469 6.001 1.00 0.00 N ATOM 0 H LYS A 58 1.832 3.733 6.670 1.00 0.00 H new ATOM 0 HA LYS A 58 1.068 2.703 4.100 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.652 1.918 7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.113 0.880 5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.625 1.252 4.843 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.937 1.615 6.529 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.367 -0.663 6.761 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.210 -0.991 5.260 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.998 0.126 7.370 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.282 -1.409 7.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.386 -1.114 6.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.397 -2.492 6.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.084 -1.290 5.031 1.00 0.00 H new ATOM 938 N LYS A 59 -1.416 3.728 6.002 1.00 0.00 N ATOM 939 CA LYS A 59 -2.863 4.090 5.945 1.00 0.00 C ATOM 940 C LYS A 59 -3.054 5.289 5.016 1.00 0.00 C ATOM 941 O LYS A 59 -3.996 5.352 4.253 1.00 0.00 O ATOM 942 CB LYS A 59 -3.238 4.462 7.380 1.00 0.00 C ATOM 943 CG LYS A 59 -3.182 3.215 8.264 1.00 0.00 C ATOM 944 CD LYS A 59 -3.423 3.615 9.722 1.00 0.00 C ATOM 945 CE LYS A 59 -2.579 2.729 10.640 1.00 0.00 C ATOM 946 NZ LYS A 59 -2.296 3.574 11.835 1.00 0.00 N ATOM 0 H LYS A 59 -0.958 3.921 6.893 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.483 3.278 5.564 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.554 5.221 7.760 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.239 4.893 7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.935 2.494 7.944 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.212 2.728 8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.163 4.663 9.871 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.480 3.511 9.969 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.116 1.822 10.916 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.657 2.417 10.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.720 3.035 12.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.778 4.427 11.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.192 3.850 12.285 1.00 0.00 H new ATOM 960 N GLN A 60 -2.158 6.237 5.069 1.00 0.00 N ATOM 961 CA GLN A 60 -2.287 7.423 4.178 1.00 0.00 C ATOM 962 C GLN A 60 -2.237 6.964 2.723 1.00 0.00 C ATOM 963 O GLN A 60 -2.945 7.467 1.873 1.00 0.00 O ATOM 964 CB GLN A 60 -1.080 8.303 4.504 1.00 0.00 C ATOM 965 CG GLN A 60 -1.425 9.226 5.673 1.00 0.00 C ATOM 966 CD GLN A 60 -1.778 10.614 5.137 1.00 0.00 C ATOM 967 OE1 GLN A 60 -2.092 10.766 3.974 1.00 0.00 O ATOM 968 NE2 GLN A 60 -1.739 11.641 5.941 1.00 0.00 N ATOM 0 H GLN A 60 -1.347 6.241 5.687 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.224 7.961 4.324 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.221 7.682 4.758 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.800 8.893 3.631 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.263 8.818 6.238 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.581 9.293 6.359 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.475 11.514 6.918 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.972 12.571 5.592 1.00 0.00 H new ATOM 977 N ALA A 61 -1.411 5.998 2.437 1.00 0.00 N ATOM 978 CA ALA A 61 -1.318 5.486 1.043 1.00 0.00 C ATOM 979 C ALA A 61 -2.572 4.674 0.713 1.00 0.00 C ATOM 980 O ALA A 61 -3.125 4.776 -0.364 1.00 0.00 O ATOM 981 CB ALA A 61 -0.077 4.595 1.028 1.00 0.00 C ATOM 0 H ALA A 61 -0.796 5.540 3.109 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.246 6.285 0.305 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.060 4.178 0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.798 5.186 1.298 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.203 3.784 1.746 1.00 0.00 H new ATOM 987 N PHE A 62 -3.033 3.873 1.638 1.00 0.00 N ATOM 988 CA PHE A 62 -4.258 3.069 1.374 1.00 0.00 C ATOM 989 C PHE A 62 -5.447 4.010 1.173 1.00 0.00 C ATOM 990 O PHE A 62 -6.223 3.863 0.248 1.00 0.00 O ATOM 991 CB PHE A 62 -4.444 2.212 2.627 1.00 0.00 C ATOM 992 CG PHE A 62 -5.810 1.571 2.604 1.00 0.00 C ATOM 993 CD1 PHE A 62 -6.385 1.193 1.385 1.00 0.00 C ATOM 994 CD2 PHE A 62 -6.500 1.352 3.802 1.00 0.00 C ATOM 995 CE1 PHE A 62 -7.647 0.597 1.362 1.00 0.00 C ATOM 996 CE2 PHE A 62 -7.766 0.755 3.780 1.00 0.00 C ATOM 997 CZ PHE A 62 -8.339 0.376 2.559 1.00 0.00 C ATOM 0 H PHE A 62 -2.615 3.743 2.559 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.179 2.453 0.478 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.672 1.444 2.673 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.335 2.827 3.520 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.852 1.363 0.461 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.056 1.643 4.742 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.090 0.306 0.421 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.300 0.587 4.703 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.315 -0.087 2.541 1.00 0.00 H new ATOM 1007 N ASN A 63 -5.582 4.994 2.019 1.00 0.00 N ATOM 1008 CA ASN A 63 -6.706 5.959 1.859 1.00 0.00 C ATOM 1009 C ASN A 63 -6.574 6.657 0.507 1.00 0.00 C ATOM 1010 O ASN A 63 -7.534 6.821 -0.221 1.00 0.00 O ATOM 1011 CB ASN A 63 -6.541 6.961 3.002 1.00 0.00 C ATOM 1012 CG ASN A 63 -6.667 6.236 4.342 1.00 0.00 C ATOM 1013 OD1 ASN A 63 -7.449 5.315 4.477 1.00 0.00 O ATOM 1014 ND2 ASN A 63 -5.926 6.614 5.347 1.00 0.00 N ATOM 0 H ASN A 63 -4.965 5.171 2.812 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.684 5.480 1.890 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.570 7.451 2.932 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.298 7.742 2.927 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.003 6.137 6.245 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.270 7.387 5.234 1.00 0.00 H new ATOM 1021 N ALA A 64 -5.382 7.053 0.162 1.00 0.00 N ATOM 1022 CA ALA A 64 -5.167 7.724 -1.148 1.00 0.00 C ATOM 1023 C ALA A 64 -5.476 6.733 -2.271 1.00 0.00 C ATOM 1024 O ALA A 64 -5.975 7.095 -3.317 1.00 0.00 O ATOM 1025 CB ALA A 64 -3.688 8.111 -1.162 1.00 0.00 C ATOM 0 H ALA A 64 -4.545 6.940 0.733 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.806 8.595 -1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.452 8.613 -2.100 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.480 8.783 -0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.076 7.214 -1.066 1.00 0.00 H new ATOM 1031 N TYR A 65 -5.184 5.480 -2.050 1.00 0.00 N ATOM 1032 CA TYR A 65 -5.461 4.453 -3.091 1.00 0.00 C ATOM 1033 C TYR A 65 -6.962 4.394 -3.372 1.00 0.00 C ATOM 1034 O TYR A 65 -7.390 4.322 -4.507 1.00 0.00 O ATOM 1035 CB TYR A 65 -4.979 3.134 -2.478 1.00 0.00 C ATOM 1036 CG TYR A 65 -5.617 1.977 -3.208 1.00 0.00 C ATOM 1037 CD1 TYR A 65 -5.015 1.470 -4.365 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -6.811 1.415 -2.733 1.00 0.00 C ATOM 1039 CE1 TYR A 65 -5.603 0.401 -5.049 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -7.399 0.346 -3.419 1.00 0.00 C ATOM 1041 CZ TYR A 65 -6.795 -0.160 -4.577 1.00 0.00 C ATOM 1042 OH TYR A 65 -7.374 -1.215 -5.253 1.00 0.00 O ATOM 0 H TYR A 65 -4.765 5.124 -1.191 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.964 4.669 -4.037 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.893 3.065 -2.544 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.237 3.097 -1.420 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.096 1.904 -4.730 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.276 1.806 -1.840 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.137 0.009 -5.941 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.318 -0.089 -3.055 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.350 -1.150 -5.187 1.00 0.00 H new ATOM 1052 N LYS A 66 -7.765 4.426 -2.347 1.00 0.00 N ATOM 1053 CA LYS A 66 -9.235 4.374 -2.560 1.00 0.00 C ATOM 1054 C LYS A 66 -9.704 5.671 -3.223 1.00 0.00 C ATOM 1055 O LYS A 66 -10.558 5.665 -4.087 1.00 0.00 O ATOM 1056 CB LYS A 66 -9.834 4.233 -1.164 1.00 0.00 C ATOM 1057 CG LYS A 66 -9.194 3.045 -0.447 1.00 0.00 C ATOM 1058 CD LYS A 66 -9.911 2.815 0.883 1.00 0.00 C ATOM 1059 CE LYS A 66 -9.547 3.940 1.856 1.00 0.00 C ATOM 1060 NZ LYS A 66 -10.779 4.171 2.658 1.00 0.00 N ATOM 0 H LYS A 66 -7.467 4.486 -1.373 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.536 3.553 -3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.669 5.147 -0.593 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.912 4.091 -1.233 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.259 2.152 -1.068 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.135 3.237 -0.275 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.990 2.788 0.728 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.625 1.850 1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.709 3.655 2.493 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.249 4.842 1.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.607 4.930 3.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.558 4.448 2.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.035 3.297 3.161 1.00 0.00 H new ATOM 1074 N VAL A 67 -9.140 6.782 -2.832 1.00 0.00 N ATOM 1075 CA VAL A 67 -9.542 8.078 -3.446 1.00 0.00 C ATOM 1076 C VAL A 67 -9.139 8.097 -4.922 1.00 0.00 C ATOM 1077 O VAL A 67 -9.748 8.762 -5.736 1.00 0.00 O ATOM 1078 CB VAL A 67 -8.773 9.143 -2.663 1.00 0.00 C ATOM 1079 CG1 VAL A 67 -9.004 10.515 -3.298 1.00 0.00 C ATOM 1080 CG2 VAL A 67 -9.264 9.164 -1.214 1.00 0.00 C ATOM 0 H VAL A 67 -8.418 6.847 -2.114 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.618 8.246 -3.404 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.709 8.909 -2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.455 11.272 -2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.654 10.502 -4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.068 10.750 -3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.716 9.923 -0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.329 9.396 -1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.097 8.188 -0.759 1.00 0.00 H new