USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 805 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 25 TYR OH : rot -34:sc= 1.07 USER MOD Set 1.2: A 48 HIS : no HD1:sc= -3.95! C(o=-2.9!,f=-12!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 73:sc= 0.168 USER MOD Single : A 18 CYS SG : rot 70:sc= 0.412 USER MOD Single : A 19 GLN : amide:sc= -0.55 K(o=-0.55,f=-2.7!) USER MOD Single : A 20 GLN : amide:sc= -0.0273 K(o=-0.027,f=-0.86) USER MOD Single : A 21 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 22 THR OG1 : rot -84:sc= 0.998 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.582 F(o=-1.5,f=-0.58) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.99) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -76:sc= -0.436 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -90:sc= 0.0459 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 150:sc= -1.11 USER MOD Single : A 56 ASN : amide:sc= -1.44 X(o=-1.4,f=-1.9!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -4.59! C(o=-4.6!,f=-9.5!) USER MOD Single : A 68 ASN : amide:sc= -3.68! C(o=-3.7!,f=-6.3!) USER MOD Single : A 69 ASN : amide:sc= -1.99 K(o=-2,f=-5) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.62 F(o=-1.1,f=-0.62) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0203 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -163:sc= -0.0379 (180deg=-0.266) USER MOD Single : A 91 MET CE :methyl 172:sc= -2.02 (180deg=-2.13) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot -49:sc= 0.467 USER MOD Single : A 102 MET CE :methyl -157:sc= -2.12 (180deg=-4.25!) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 0:sc= 0 USER MOD Single : A 107 SER OG : rot 79:sc= 1.12 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N SER A 12 -7.548 -7.726 2.489 1.00 0.00 N ATOM 136 CA SER A 12 -7.706 -7.718 3.939 1.00 0.00 C ATOM 137 C SER A 12 -6.741 -6.728 4.585 1.00 0.00 C ATOM 138 O SER A 12 -7.150 -5.852 5.348 1.00 0.00 O ATOM 139 CB SER A 12 -7.473 -9.120 4.507 1.00 0.00 C ATOM 140 OG SER A 12 -7.739 -9.157 5.898 1.00 0.00 O ATOM 0 HA SER A 12 -8.725 -7.407 4.167 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.114 -9.836 3.992 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.443 -9.424 4.322 1.00 0.00 H new ATOM 0 HG SER A 12 -7.584 -10.064 6.237 1.00 0.00 H new ATOM 146 N LYS A 13 -5.458 -6.875 4.274 1.00 0.00 N ATOM 147 CA LYS A 13 -4.432 -5.994 4.822 1.00 0.00 C ATOM 148 C LYS A 13 -4.787 -4.530 4.581 1.00 0.00 C ATOM 149 O LYS A 13 -4.783 -3.720 5.508 1.00 0.00 O ATOM 150 CB LYS A 13 -3.072 -6.310 4.195 1.00 0.00 C ATOM 151 CG LYS A 13 -1.959 -5.386 4.659 1.00 0.00 C ATOM 152 CD LYS A 13 -0.605 -5.843 4.144 1.00 0.00 C ATOM 153 CE LYS A 13 -0.478 -5.630 2.643 1.00 0.00 C ATOM 154 NZ LYS A 13 0.892 -5.945 2.152 1.00 0.00 N ATOM 0 H LYS A 13 -5.103 -7.596 3.645 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.378 -6.164 5.897 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.802 -7.339 4.433 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.158 -6.246 3.110 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.158 -4.372 4.312 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.943 -5.353 5.748 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.185 -5.295 4.658 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.464 -6.899 4.376 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.203 -6.258 2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.722 -4.595 2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.938 -5.787 1.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.582 -5.329 2.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.115 -6.939 2.360 1.00 0.00 H new ATOM 168 N LEU A 14 -5.094 -4.198 3.332 1.00 0.00 N ATOM 169 CA LEU A 14 -5.453 -2.832 2.970 1.00 0.00 C ATOM 170 C LEU A 14 -6.517 -2.280 3.913 1.00 0.00 C ATOM 171 O LEU A 14 -6.353 -1.205 4.491 1.00 0.00 O ATOM 172 CB LEU A 14 -5.958 -2.781 1.527 1.00 0.00 C ATOM 173 CG LEU A 14 -6.687 -1.502 1.115 1.00 0.00 C ATOM 174 CD1 LEU A 14 -5.704 -0.351 0.969 1.00 0.00 C ATOM 175 CD2 LEU A 14 -7.453 -1.718 -0.181 1.00 0.00 C ATOM 0 H LEU A 14 -5.101 -4.856 2.553 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.560 -2.213 3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.107 -2.921 0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.629 -3.625 1.368 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.401 -1.246 1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.241 0.551 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.200 -0.180 1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.965 -0.598 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.966 -0.797 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.758 -1.999 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.185 -2.513 -0.042 1.00 0.00 H new ATOM 187 N LEU A 15 -7.607 -3.023 4.065 1.00 0.00 N ATOM 188 CA LEU A 15 -8.699 -2.610 4.941 1.00 0.00 C ATOM 189 C LEU A 15 -8.185 -2.301 6.343 1.00 0.00 C ATOM 190 O LEU A 15 -8.591 -1.317 6.963 1.00 0.00 O ATOM 191 CB LEU A 15 -9.768 -3.702 5.006 1.00 0.00 C ATOM 192 CG LEU A 15 -11.020 -3.368 5.818 1.00 0.00 C ATOM 193 CD1 LEU A 15 -11.807 -2.251 5.150 1.00 0.00 C ATOM 194 CD2 LEU A 15 -11.889 -4.606 5.990 1.00 0.00 C ATOM 0 H LEU A 15 -7.759 -3.915 3.593 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.140 -1.703 4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.073 -3.945 3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.316 -4.601 5.426 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.710 -3.026 6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.694 -2.027 5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.184 -1.359 5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -12.107 -2.565 4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.776 -4.350 6.570 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.191 -4.978 5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.324 -5.378 6.512 1.00 0.00 H new ATOM 206 N THR A 16 -7.288 -3.148 6.839 1.00 0.00 N ATOM 207 CA THR A 16 -6.717 -2.965 8.167 1.00 0.00 C ATOM 208 C THR A 16 -5.990 -1.630 8.275 1.00 0.00 C ATOM 209 O THR A 16 -6.209 -0.867 9.216 1.00 0.00 O ATOM 210 CB THR A 16 -5.736 -4.100 8.519 1.00 0.00 C ATOM 211 OG1 THR A 16 -6.376 -5.370 8.349 1.00 0.00 O ATOM 212 CG2 THR A 16 -5.241 -3.963 9.950 1.00 0.00 C ATOM 0 H THR A 16 -6.942 -3.968 6.340 1.00 0.00 H new ATOM 0 HA THR A 16 -7.548 -2.981 8.872 1.00 0.00 H new ATOM 0 HB THR A 16 -4.880 -4.032 7.848 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.479 -5.559 7.393 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.550 -4.775 10.175 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.729 -3.008 10.068 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.089 -4.007 10.634 1.00 0.00 H new ATOM 220 N TRP A 17 -5.125 -1.353 7.306 1.00 0.00 N ATOM 221 CA TRP A 17 -4.366 -0.107 7.292 1.00 0.00 C ATOM 222 C TRP A 17 -5.299 1.099 7.283 1.00 0.00 C ATOM 223 O TRP A 17 -5.083 2.067 8.013 1.00 0.00 O ATOM 224 CB TRP A 17 -3.443 -0.062 6.073 1.00 0.00 C ATOM 225 CG TRP A 17 -2.671 1.217 5.960 1.00 0.00 C ATOM 226 CD1 TRP A 17 -1.550 1.562 6.660 1.00 0.00 C ATOM 227 CD2 TRP A 17 -2.963 2.321 5.096 1.00 0.00 C ATOM 228 NE1 TRP A 17 -1.128 2.815 6.284 1.00 0.00 N ATOM 229 CE2 TRP A 17 -1.977 3.301 5.325 1.00 0.00 C ATOM 230 CE3 TRP A 17 -3.959 2.576 4.151 1.00 0.00 C ATOM 231 CZ2 TRP A 17 -1.962 4.515 4.644 1.00 0.00 C ATOM 232 CZ3 TRP A 17 -3.944 3.782 3.475 1.00 0.00 C ATOM 233 CH2 TRP A 17 -2.950 4.739 3.724 1.00 0.00 C ATOM 0 H TRP A 17 -4.932 -1.974 6.520 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.762 -0.069 8.198 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.744 -0.897 6.125 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.038 -0.200 5.170 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -1.066 0.942 7.400 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -0.315 3.304 6.658 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.728 1.844 3.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -1.198 5.254 4.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -4.710 3.990 2.743 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -2.964 5.671 3.179 1.00 0.00 H new ATOM 244 N CYS A 18 -6.335 1.034 6.455 1.00 0.00 N ATOM 245 CA CYS A 18 -7.301 2.122 6.351 1.00 0.00 C ATOM 246 C CYS A 18 -8.080 2.283 7.653 1.00 0.00 C ATOM 247 O CYS A 18 -8.230 3.392 8.164 1.00 0.00 O ATOM 248 CB CYS A 18 -8.267 1.866 5.193 1.00 0.00 C ATOM 249 SG CYS A 18 -7.457 1.640 3.593 1.00 0.00 S ATOM 0 H CYS A 18 -6.528 0.239 5.846 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.753 3.045 6.160 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.859 0.979 5.417 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.962 2.703 5.122 1.00 0.00 H new ATOM 0 HG CYS A 18 -6.828 0.502 3.582 1.00 0.00 H new ATOM 255 N GLN A 19 -8.575 1.168 8.182 1.00 0.00 N ATOM 256 CA GLN A 19 -9.340 1.187 9.423 1.00 0.00 C ATOM 257 C GLN A 19 -8.580 1.924 10.521 1.00 0.00 C ATOM 258 O GLN A 19 -9.166 2.686 11.289 1.00 0.00 O ATOM 259 CB GLN A 19 -9.655 -0.240 9.874 1.00 0.00 C ATOM 260 CG GLN A 19 -10.920 -0.810 9.252 1.00 0.00 C ATOM 261 CD GLN A 19 -10.965 -2.324 9.304 1.00 0.00 C ATOM 262 OE1 GLN A 19 -10.000 -2.972 9.711 1.00 0.00 O ATOM 263 NE2 GLN A 19 -12.089 -2.898 8.890 1.00 0.00 N ATOM 0 H GLN A 19 -8.460 0.242 7.771 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.274 1.716 9.236 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.814 -0.886 9.622 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.755 -0.255 10.959 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.789 -0.406 9.771 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.989 -0.484 8.214 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.864 -2.323 8.561 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.177 -3.914 8.902 1.00 0.00 H new ATOM 272 N GLN A 20 -7.273 1.690 10.588 1.00 0.00 N ATOM 273 CA GLN A 20 -6.434 2.331 11.593 1.00 0.00 C ATOM 274 C GLN A 20 -6.419 3.844 11.405 1.00 0.00 C ATOM 275 O GLN A 20 -6.700 4.597 12.337 1.00 0.00 O ATOM 276 CB GLN A 20 -5.008 1.783 11.522 1.00 0.00 C ATOM 277 CG GLN A 20 -4.911 0.298 11.834 1.00 0.00 C ATOM 278 CD GLN A 20 -5.159 -0.008 13.298 1.00 0.00 C ATOM 279 OE1 GLN A 20 -4.838 0.794 14.175 1.00 0.00 O ATOM 280 NE2 GLN A 20 -5.734 -1.174 13.570 1.00 0.00 N ATOM 0 H GLN A 20 -6.773 1.062 9.959 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.853 2.109 12.575 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.608 1.963 10.524 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.380 2.335 12.222 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.634 -0.245 11.226 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.922 -0.065 11.553 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.984 -1.809 12.812 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.926 -1.435 14.537 1.00 0.00 H new ATOM 289 N GLN A 21 -6.089 4.282 10.194 1.00 0.00 N ATOM 290 CA GLN A 21 -6.037 5.706 9.885 1.00 0.00 C ATOM 291 C GLN A 21 -7.388 6.367 10.135 1.00 0.00 C ATOM 292 O GLN A 21 -7.469 7.418 10.772 1.00 0.00 O ATOM 293 CB GLN A 21 -5.613 5.919 8.431 1.00 0.00 C ATOM 294 CG GLN A 21 -4.289 5.259 8.081 1.00 0.00 C ATOM 295 CD GLN A 21 -3.176 5.638 9.038 1.00 0.00 C ATOM 296 OE1 GLN A 21 -2.887 6.818 9.236 1.00 0.00 O ATOM 297 NE2 GLN A 21 -2.545 4.636 9.639 1.00 0.00 N ATOM 0 H GLN A 21 -5.854 3.671 9.411 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.300 6.168 10.542 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.390 5.528 7.774 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.539 6.989 8.236 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.415 4.176 8.087 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.003 5.541 7.068 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.817 3.672 9.445 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.788 4.830 10.294 1.00 0.00 H new ATOM 306 N THR A 22 -8.448 5.745 9.629 1.00 0.00 N ATOM 307 CA THR A 22 -9.796 6.274 9.796 1.00 0.00 C ATOM 308 C THR A 22 -10.238 6.203 11.253 1.00 0.00 C ATOM 309 O THR A 22 -11.001 7.047 11.721 1.00 0.00 O ATOM 310 CB THR A 22 -10.811 5.509 8.926 1.00 0.00 C ATOM 311 OG1 THR A 22 -10.565 4.101 9.009 1.00 0.00 O ATOM 312 CG2 THR A 22 -10.727 5.959 7.475 1.00 0.00 C ATOM 0 H THR A 22 -8.399 4.874 9.100 1.00 0.00 H new ATOM 0 HA THR A 22 -9.768 7.316 9.478 1.00 0.00 H new ATOM 0 HB THR A 22 -11.812 5.725 9.300 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.867 3.853 8.368 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.453 5.405 6.880 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.944 7.025 7.412 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.724 5.769 7.093 1.00 0.00 H new ATOM 320 N GLU A 23 -9.753 5.190 11.965 1.00 0.00 N ATOM 321 CA GLU A 23 -10.100 5.011 13.370 1.00 0.00 C ATOM 322 C GLU A 23 -10.032 6.337 14.121 1.00 0.00 C ATOM 323 O GLU A 23 -9.095 7.115 13.946 1.00 0.00 O ATOM 324 CB GLU A 23 -9.162 3.993 14.024 1.00 0.00 C ATOM 325 CG GLU A 23 -9.505 3.693 15.473 1.00 0.00 C ATOM 326 CD GLU A 23 -8.700 2.537 16.035 1.00 0.00 C ATOM 327 OE1 GLU A 23 -7.601 2.785 16.573 1.00 0.00 O ATOM 328 OE2 GLU A 23 -9.171 1.385 15.938 1.00 0.00 O ATOM 0 H GLU A 23 -9.120 4.482 11.593 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.123 4.637 13.420 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.191 3.065 13.453 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.140 4.367 13.971 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.326 4.583 16.077 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.568 3.463 15.551 1.00 0.00 H new ATOM 335 N GLY A 24 -11.034 6.588 14.959 1.00 0.00 N ATOM 336 CA GLY A 24 -11.070 7.821 15.724 1.00 0.00 C ATOM 337 C GLY A 24 -12.064 8.820 15.167 1.00 0.00 C ATOM 338 O GLY A 24 -12.781 9.479 15.921 1.00 0.00 O ATOM 0 H GLY A 24 -11.821 5.960 15.121 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.327 7.595 16.759 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.076 8.268 15.733 1.00 0.00 H new ATOM 342 N TYR A 25 -12.108 8.934 13.844 1.00 0.00 N ATOM 343 CA TYR A 25 -13.019 9.864 13.187 1.00 0.00 C ATOM 344 C TYR A 25 -14.465 9.580 13.582 1.00 0.00 C ATOM 345 O TYR A 25 -14.808 8.459 13.957 1.00 0.00 O ATOM 346 CB TYR A 25 -12.866 9.772 11.668 1.00 0.00 C ATOM 347 CG TYR A 25 -11.744 10.625 11.120 1.00 0.00 C ATOM 348 CD1 TYR A 25 -11.851 12.010 11.086 1.00 0.00 C ATOM 349 CD2 TYR A 25 -10.578 10.046 10.634 1.00 0.00 C ATOM 350 CE1 TYR A 25 -10.829 12.793 10.586 1.00 0.00 C ATOM 351 CE2 TYR A 25 -9.551 10.822 10.133 1.00 0.00 C ATOM 352 CZ TYR A 25 -9.681 12.195 10.111 1.00 0.00 C ATOM 353 OH TYR A 25 -8.660 12.971 9.612 1.00 0.00 O ATOM 0 H TYR A 25 -11.524 8.394 13.206 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.764 10.873 13.511 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -12.689 8.733 11.391 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -13.802 10.072 11.198 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.749 12.482 11.457 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.473 8.971 10.648 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.929 13.868 10.567 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.651 10.356 9.760 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.035 13.762 9.171 1.00 0.00 H new ATOM 363 N GLN A 26 -15.308 10.604 13.493 1.00 0.00 N ATOM 364 CA GLN A 26 -16.717 10.465 13.841 1.00 0.00 C ATOM 365 C GLN A 26 -17.555 10.162 12.604 1.00 0.00 C ATOM 366 O GLN A 26 -17.281 10.668 11.515 1.00 0.00 O ATOM 367 CB GLN A 26 -17.225 11.740 14.516 1.00 0.00 C ATOM 368 CG GLN A 26 -16.906 11.812 16.000 1.00 0.00 C ATOM 369 CD GLN A 26 -17.592 10.721 16.798 1.00 0.00 C ATOM 370 OE1 GLN A 26 -16.977 9.545 16.845 1.00 0.00 O flip ATOM 371 NE2 GLN A 26 -18.664 10.933 17.367 1.00 0.00 N flip ATOM 0 H GLN A 26 -15.040 11.538 13.183 1.00 0.00 H new ATOM 0 HA GLN A 26 -16.814 9.631 14.536 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.787 12.604 14.017 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -18.305 11.807 14.381 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.828 11.736 16.140 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -17.210 12.785 16.386 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -19.102 11.852 17.304 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -19.114 10.189 17.901 1.00 0.00 H new ATOM 380 N HIS A 27 -18.579 9.332 12.778 1.00 0.00 N ATOM 381 CA HIS A 27 -19.459 8.961 11.675 1.00 0.00 C ATOM 382 C HIS A 27 -18.663 8.342 10.530 1.00 0.00 C ATOM 383 O HIS A 27 -19.011 8.504 9.360 1.00 0.00 O ATOM 384 CB HIS A 27 -20.228 10.184 11.175 1.00 0.00 C ATOM 385 CG HIS A 27 -21.259 10.680 12.142 1.00 0.00 C ATOM 386 ND1 HIS A 27 -22.533 10.157 12.217 1.00 0.00 N ATOM 387 CD2 HIS A 27 -21.198 11.655 13.078 1.00 0.00 C ATOM 388 CE1 HIS A 27 -23.211 10.791 13.157 1.00 0.00 C ATOM 389 NE2 HIS A 27 -22.424 11.705 13.695 1.00 0.00 N ATOM 0 H HIS A 27 -18.820 8.904 13.672 1.00 0.00 H new ATOM 0 HA HIS A 27 -20.169 8.220 12.042 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -19.521 10.987 10.967 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -20.716 9.936 10.232 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -20.344 12.278 13.299 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -24.235 10.595 13.438 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -22.684 12.344 14.446 1.00 0.00 H new ATOM 398 N VAL A 28 -17.592 7.634 10.875 1.00 0.00 N ATOM 399 CA VAL A 28 -16.746 6.992 9.876 1.00 0.00 C ATOM 400 C VAL A 28 -16.525 5.520 10.208 1.00 0.00 C ATOM 401 O VAL A 28 -15.648 5.177 11.000 1.00 0.00 O ATOM 402 CB VAL A 28 -15.379 7.692 9.763 1.00 0.00 C ATOM 403 CG1 VAL A 28 -14.447 6.902 8.856 1.00 0.00 C ATOM 404 CG2 VAL A 28 -15.551 9.115 9.254 1.00 0.00 C ATOM 0 H VAL A 28 -17.290 7.491 11.839 1.00 0.00 H new ATOM 0 HA VAL A 28 -17.266 7.073 8.922 1.00 0.00 H new ATOM 0 HB VAL A 28 -14.930 7.736 10.755 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.486 7.412 8.788 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -14.299 5.903 9.267 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -14.887 6.824 7.862 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -14.575 9.595 9.180 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -16.021 9.095 8.271 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.180 9.675 9.946 1.00 0.00 H new ATOM 414 N ASN A 29 -17.326 4.654 9.596 1.00 0.00 N ATOM 415 CA ASN A 29 -17.218 3.218 9.826 1.00 0.00 C ATOM 416 C ASN A 29 -16.686 2.506 8.586 1.00 0.00 C ATOM 417 O ASN A 29 -17.403 2.337 7.599 1.00 0.00 O ATOM 418 CB ASN A 29 -18.580 2.639 10.216 1.00 0.00 C ATOM 419 CG ASN A 29 -18.576 1.123 10.248 1.00 0.00 C ATOM 420 OD1 ASN A 29 -17.748 0.507 10.920 1.00 0.00 O ATOM 421 ND2 ASN A 29 -19.503 0.514 9.518 1.00 0.00 N ATOM 0 H ASN A 29 -18.057 4.922 8.937 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.515 3.058 10.644 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -18.866 3.020 11.196 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.334 2.983 9.508 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -19.549 -0.505 9.499 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -20.169 1.065 8.977 1.00 0.00 H new ATOM 428 N VAL A 30 -15.425 2.091 8.644 1.00 0.00 N ATOM 429 CA VAL A 30 -14.797 1.396 7.527 1.00 0.00 C ATOM 430 C VAL A 30 -14.738 -0.107 7.777 1.00 0.00 C ATOM 431 O VAL A 30 -13.919 -0.586 8.562 1.00 0.00 O ATOM 432 CB VAL A 30 -13.371 1.919 7.270 1.00 0.00 C ATOM 433 CG1 VAL A 30 -12.703 1.125 6.158 1.00 0.00 C ATOM 434 CG2 VAL A 30 -13.400 3.402 6.935 1.00 0.00 C ATOM 0 H VAL A 30 -14.818 2.224 9.453 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.411 1.591 6.648 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.785 1.787 8.180 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.697 1.509 5.991 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.648 0.075 6.444 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -13.285 1.222 5.242 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.384 3.755 6.756 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.002 3.561 6.040 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -13.835 3.955 7.768 1.00 0.00 H new ATOM 444 N THR A 31 -15.613 -0.848 7.104 1.00 0.00 N ATOM 445 CA THR A 31 -15.662 -2.297 7.254 1.00 0.00 C ATOM 446 C THR A 31 -15.373 -2.997 5.931 1.00 0.00 C ATOM 447 O THR A 31 -14.748 -4.057 5.901 1.00 0.00 O ATOM 448 CB THR A 31 -17.033 -2.762 7.779 1.00 0.00 C ATOM 449 OG1 THR A 31 -18.079 -2.223 6.962 1.00 0.00 O ATOM 450 CG2 THR A 31 -17.235 -2.327 9.223 1.00 0.00 C ATOM 0 H THR A 31 -16.297 -0.468 6.450 1.00 0.00 H new ATOM 0 HA THR A 31 -14.894 -2.565 7.979 1.00 0.00 H new ATOM 0 HB THR A 31 -17.064 -3.851 7.736 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.947 -2.525 7.301 1.00 0.00 H new ATOM 0 HG21 THR A 31 -18.210 -2.667 9.572 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.454 -2.762 9.847 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.186 -1.240 9.286 1.00 0.00 H new ATOM 458 N ASP A 32 -15.832 -2.397 4.838 1.00 0.00 N ATOM 459 CA ASP A 32 -15.621 -2.962 3.510 1.00 0.00 C ATOM 460 C ASP A 32 -14.875 -1.979 2.613 1.00 0.00 C ATOM 461 O ASP A 32 -14.550 -0.866 3.029 1.00 0.00 O ATOM 462 CB ASP A 32 -16.961 -3.337 2.874 1.00 0.00 C ATOM 463 CG ASP A 32 -16.835 -4.487 1.894 1.00 0.00 C ATOM 464 OD1 ASP A 32 -15.835 -5.230 1.977 1.00 0.00 O ATOM 465 OD2 ASP A 32 -17.735 -4.643 1.043 1.00 0.00 O ATOM 0 H ASP A 32 -16.352 -1.520 4.845 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.014 -3.861 3.616 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -17.669 -3.607 3.658 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -17.371 -2.468 2.359 1.00 0.00 H new ATOM 470 N LEU A 33 -14.607 -2.397 1.381 1.00 0.00 N ATOM 471 CA LEU A 33 -13.898 -1.554 0.425 1.00 0.00 C ATOM 472 C LEU A 33 -14.767 -1.263 -0.794 1.00 0.00 C ATOM 473 O LEU A 33 -14.268 -1.146 -1.914 1.00 0.00 O ATOM 474 CB LEU A 33 -12.596 -2.228 -0.012 1.00 0.00 C ATOM 475 CG LEU A 33 -11.729 -2.802 1.108 1.00 0.00 C ATOM 476 CD1 LEU A 33 -10.775 -3.852 0.560 1.00 0.00 C ATOM 477 CD2 LEU A 33 -10.958 -1.693 1.809 1.00 0.00 C ATOM 0 H LEU A 33 -14.870 -3.314 1.021 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.664 -0.609 0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.842 -3.034 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.003 -1.502 -0.567 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.383 -3.280 1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.166 -4.249 1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.347 -4.661 0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.128 -3.399 -0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.346 -2.121 2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.315 -1.186 1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.659 -0.977 2.237 1.00 0.00 H new ATOM 489 N THR A 34 -16.072 -1.146 -0.570 1.00 0.00 N ATOM 490 CA THR A 34 -17.012 -0.869 -1.649 1.00 0.00 C ATOM 491 C THR A 34 -18.011 0.209 -1.244 1.00 0.00 C ATOM 492 O THR A 34 -18.163 1.220 -1.930 1.00 0.00 O ATOM 493 CB THR A 34 -17.781 -2.137 -2.064 1.00 0.00 C ATOM 494 OG1 THR A 34 -17.922 -3.014 -0.942 1.00 0.00 O ATOM 495 CG2 THR A 34 -17.062 -2.860 -3.193 1.00 0.00 C ATOM 0 H THR A 34 -16.502 -1.239 0.350 1.00 0.00 H new ATOM 0 HA THR A 34 -16.425 -0.516 -2.497 1.00 0.00 H new ATOM 0 HB THR A 34 -18.768 -1.838 -2.416 1.00 0.00 H new ATOM 0 HG1 THR A 34 -17.070 -3.469 -0.773 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.624 -3.752 -3.469 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.983 -2.199 -4.056 1.00 0.00 H new ATOM 0 HG23 THR A 34 -16.064 -3.147 -2.863 1.00 0.00 H new ATOM 503 N THR A 35 -18.692 -0.013 -0.124 1.00 0.00 N ATOM 504 CA THR A 35 -19.678 0.939 0.373 1.00 0.00 C ATOM 505 C THR A 35 -19.024 2.003 1.245 1.00 0.00 C ATOM 506 O THR A 35 -19.384 3.179 1.183 1.00 0.00 O ATOM 507 CB THR A 35 -20.781 0.233 1.184 1.00 0.00 C ATOM 508 OG1 THR A 35 -20.199 -0.508 2.261 1.00 0.00 O ATOM 509 CG2 THR A 35 -21.591 -0.701 0.297 1.00 0.00 C ATOM 0 H THR A 35 -18.579 -0.844 0.456 1.00 0.00 H new ATOM 0 HA THR A 35 -20.126 1.414 -0.500 1.00 0.00 H new ATOM 0 HB THR A 35 -21.449 0.994 1.587 1.00 0.00 H new ATOM 0 HG1 THR A 35 -20.907 -0.952 2.773 1.00 0.00 H new ATOM 0 HG21 THR A 35 -22.364 -1.188 0.892 1.00 0.00 H new ATOM 0 HG22 THR A 35 -22.057 -0.128 -0.505 1.00 0.00 H new ATOM 0 HG23 THR A 35 -20.933 -1.457 -0.132 1.00 0.00 H new ATOM 517 N SER A 36 -18.060 1.584 2.059 1.00 0.00 N ATOM 518 CA SER A 36 -17.356 2.502 2.947 1.00 0.00 C ATOM 519 C SER A 36 -16.733 3.650 2.160 1.00 0.00 C ATOM 520 O SER A 36 -16.562 4.753 2.679 1.00 0.00 O ATOM 521 CB SER A 36 -16.273 1.758 3.730 1.00 0.00 C ATOM 522 OG SER A 36 -16.829 0.701 4.492 1.00 0.00 O ATOM 0 H SER A 36 -17.749 0.615 2.122 1.00 0.00 H new ATOM 0 HA SER A 36 -18.080 2.917 3.648 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.529 1.360 3.040 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.755 2.453 4.391 1.00 0.00 H new ATOM 0 HG SER A 36 -17.075 1.033 5.381 1.00 0.00 H new ATOM 528 N TRP A 37 -16.396 3.383 0.903 1.00 0.00 N ATOM 529 CA TRP A 37 -15.792 4.393 0.042 1.00 0.00 C ATOM 530 C TRP A 37 -16.761 4.827 -1.052 1.00 0.00 C ATOM 531 O TRP A 37 -16.345 5.247 -2.132 1.00 0.00 O ATOM 532 CB TRP A 37 -14.504 3.855 -0.584 1.00 0.00 C ATOM 533 CG TRP A 37 -13.653 3.084 0.378 1.00 0.00 C ATOM 534 CD1 TRP A 37 -13.928 1.860 0.918 1.00 0.00 C ATOM 535 CD2 TRP A 37 -12.388 3.487 0.917 1.00 0.00 C ATOM 536 NE1 TRP A 37 -12.911 1.477 1.759 1.00 0.00 N ATOM 537 CE2 TRP A 37 -11.954 2.458 1.775 1.00 0.00 C ATOM 538 CE3 TRP A 37 -11.580 4.615 0.756 1.00 0.00 C ATOM 539 CZ2 TRP A 37 -10.749 2.526 2.469 1.00 0.00 C ATOM 540 CZ3 TRP A 37 -10.385 4.682 1.445 1.00 0.00 C ATOM 541 CH2 TRP A 37 -9.978 3.643 2.293 1.00 0.00 C ATOM 0 H TRP A 37 -16.531 2.475 0.458 1.00 0.00 H new ATOM 0 HA TRP A 37 -15.554 5.262 0.656 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -14.759 3.213 -1.427 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -13.926 4.689 -0.982 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -14.815 1.278 0.714 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -12.874 0.604 2.286 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -11.884 5.421 0.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.434 1.726 3.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -9.753 5.550 1.328 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -9.038 3.725 2.818 1.00 0.00 H new ATOM 552 N ARG A 38 -18.055 4.723 -0.765 1.00 0.00 N ATOM 553 CA ARG A 38 -19.083 5.104 -1.726 1.00 0.00 C ATOM 554 C ARG A 38 -19.326 6.610 -1.693 1.00 0.00 C ATOM 555 O ARG A 38 -19.566 7.233 -2.728 1.00 0.00 O ATOM 556 CB ARG A 38 -20.387 4.360 -1.432 1.00 0.00 C ATOM 557 CG ARG A 38 -21.230 5.012 -0.349 1.00 0.00 C ATOM 558 CD ARG A 38 -22.517 4.241 -0.104 1.00 0.00 C ATOM 559 NE ARG A 38 -23.461 4.385 -1.210 1.00 0.00 N ATOM 560 CZ ARG A 38 -24.754 4.100 -1.114 1.00 0.00 C ATOM 561 NH1 ARG A 38 -25.256 3.657 0.031 1.00 0.00 N ATOM 562 NH2 ARG A 38 -25.550 4.258 -2.164 1.00 0.00 N ATOM 0 H ARG A 38 -18.416 4.378 0.125 1.00 0.00 H new ATOM 0 HA ARG A 38 -18.733 4.831 -2.722 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -20.974 4.297 -2.348 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -20.153 3.338 -1.132 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -20.656 5.067 0.576 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -21.468 6.036 -0.638 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -22.285 3.186 0.040 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -22.981 4.594 0.817 1.00 0.00 H new ATOM 0 HE ARG A 38 -23.107 4.723 -2.105 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -24.648 3.534 0.841 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -26.250 3.439 0.102 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -25.169 4.599 -3.046 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -26.543 4.039 -2.089 1.00 0.00 H new ATOM 576 N SER A 39 -19.263 7.189 -0.498 1.00 0.00 N ATOM 577 CA SER A 39 -19.481 8.621 -0.330 1.00 0.00 C ATOM 578 C SER A 39 -18.182 9.395 -0.530 1.00 0.00 C ATOM 579 O SER A 39 -18.152 10.412 -1.221 1.00 0.00 O ATOM 580 CB SER A 39 -20.052 8.911 1.059 1.00 0.00 C ATOM 581 OG SER A 39 -19.984 10.295 1.359 1.00 0.00 O ATOM 0 H SER A 39 -19.063 6.688 0.368 1.00 0.00 H new ATOM 0 HA SER A 39 -20.197 8.946 -1.085 1.00 0.00 H new ATOM 0 HB2 SER A 39 -21.088 8.576 1.107 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.499 8.345 1.809 1.00 0.00 H new ATOM 0 HG SER A 39 -20.356 10.455 2.251 1.00 0.00 H new ATOM 587 N GLY A 40 -17.107 8.905 0.082 1.00 0.00 N ATOM 588 CA GLY A 40 -15.819 9.562 -0.041 1.00 0.00 C ATOM 589 C GLY A 40 -15.170 9.821 1.305 1.00 0.00 C ATOM 590 O GLY A 40 -13.951 9.715 1.445 1.00 0.00 O ATOM 0 H GLY A 40 -17.106 8.065 0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.156 8.945 -0.648 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.946 10.508 -0.568 1.00 0.00 H new ATOM 594 N LEU A 41 -15.985 10.162 2.296 1.00 0.00 N ATOM 595 CA LEU A 41 -15.483 10.439 3.638 1.00 0.00 C ATOM 596 C LEU A 41 -14.316 9.520 3.983 1.00 0.00 C ATOM 597 O LEU A 41 -13.255 9.979 4.405 1.00 0.00 O ATOM 598 CB LEU A 41 -16.602 10.270 4.667 1.00 0.00 C ATOM 599 CG LEU A 41 -17.877 11.074 4.411 1.00 0.00 C ATOM 600 CD1 LEU A 41 -18.959 10.691 5.409 1.00 0.00 C ATOM 601 CD2 LEU A 41 -17.589 12.567 4.481 1.00 0.00 C ATOM 0 H LEU A 41 -16.996 10.254 2.197 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.129 11.470 3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.866 9.214 4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.212 10.547 5.647 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.236 10.840 3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -19.859 11.273 5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.185 9.629 5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.609 10.896 6.421 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -18.508 13.124 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.205 12.818 5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.847 12.830 3.727 1.00 0.00 H new ATOM 613 N ALA A 42 -14.519 8.219 3.798 1.00 0.00 N ATOM 614 CA ALA A 42 -13.482 7.236 4.086 1.00 0.00 C ATOM 615 C ALA A 42 -12.124 7.704 3.573 1.00 0.00 C ATOM 616 O ALA A 42 -11.206 7.954 4.355 1.00 0.00 O ATOM 617 CB ALA A 42 -13.845 5.892 3.473 1.00 0.00 C ATOM 0 H ALA A 42 -15.392 7.822 3.450 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.413 7.123 5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.062 5.167 3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.790 5.545 3.891 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.943 5.999 2.393 1.00 0.00 H new ATOM 623 N LEU A 43 -12.003 7.820 2.255 1.00 0.00 N ATOM 624 CA LEU A 43 -10.756 8.257 1.637 1.00 0.00 C ATOM 625 C LEU A 43 -10.361 9.645 2.131 1.00 0.00 C ATOM 626 O LEU A 43 -9.268 9.837 2.665 1.00 0.00 O ATOM 627 CB LEU A 43 -10.894 8.266 0.114 1.00 0.00 C ATOM 628 CG LEU A 43 -9.759 8.937 -0.660 1.00 0.00 C ATOM 629 CD1 LEU A 43 -8.473 8.137 -0.522 1.00 0.00 C ATOM 630 CD2 LEU A 43 -10.135 9.099 -2.125 1.00 0.00 C ATOM 0 H LEU A 43 -12.753 7.618 1.594 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.973 7.554 1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.980 7.235 -0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.827 8.767 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.593 9.928 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.676 8.630 -1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.195 8.074 0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.625 7.133 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.315 9.578 -2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.329 8.119 -2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.030 9.716 -2.205 1.00 0.00 H new ATOM 642 N CYS A 44 -11.258 10.608 1.952 1.00 0.00 N ATOM 643 CA CYS A 44 -11.004 11.979 2.381 1.00 0.00 C ATOM 644 C CYS A 44 -10.298 12.004 3.732 1.00 0.00 C ATOM 645 O CYS A 44 -9.372 12.786 3.946 1.00 0.00 O ATOM 646 CB CYS A 44 -12.316 12.761 2.462 1.00 0.00 C ATOM 647 SG CYS A 44 -13.080 13.091 0.857 1.00 0.00 S ATOM 0 H CYS A 44 -12.167 10.465 1.513 1.00 0.00 H new ATOM 0 HA CYS A 44 -10.354 12.450 1.644 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -13.021 12.204 3.080 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.130 13.710 2.966 1.00 0.00 H new ATOM 0 HG CYS A 44 -14.371 13.149 0.995 1.00 0.00 H new ATOM 653 N ALA A 45 -10.744 11.144 4.643 1.00 0.00 N ATOM 654 CA ALA A 45 -10.155 11.067 5.974 1.00 0.00 C ATOM 655 C ALA A 45 -8.663 10.758 5.897 1.00 0.00 C ATOM 656 O ALA A 45 -7.859 11.355 6.613 1.00 0.00 O ATOM 657 CB ALA A 45 -10.871 10.016 6.808 1.00 0.00 C ATOM 0 H ALA A 45 -11.511 10.491 4.483 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.274 12.038 6.454 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.421 9.969 7.799 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.924 10.280 6.900 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.782 9.044 6.323 1.00 0.00 H new ATOM 663 N ILE A 46 -8.302 9.822 5.026 1.00 0.00 N ATOM 664 CA ILE A 46 -6.907 9.435 4.856 1.00 0.00 C ATOM 665 C ILE A 46 -6.056 10.623 4.421 1.00 0.00 C ATOM 666 O ILE A 46 -5.001 10.889 4.999 1.00 0.00 O ATOM 667 CB ILE A 46 -6.758 8.305 3.820 1.00 0.00 C ATOM 668 CG1 ILE A 46 -7.498 7.051 4.292 1.00 0.00 C ATOM 669 CG2 ILE A 46 -5.288 7.999 3.578 1.00 0.00 C ATOM 670 CD1 ILE A 46 -7.760 6.053 3.186 1.00 0.00 C ATOM 0 H ILE A 46 -8.956 9.318 4.427 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.559 9.077 5.825 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.200 8.633 2.879 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.915 6.568 5.076 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.448 7.346 4.737 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.199 7.198 2.844 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.787 8.892 3.204 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.823 7.687 4.513 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.287 5.190 3.592 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.370 6.519 2.412 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.812 5.730 2.756 1.00 0.00 H new ATOM 682 N ILE A 47 -6.521 11.335 3.400 1.00 0.00 N ATOM 683 CA ILE A 47 -5.803 12.497 2.890 1.00 0.00 C ATOM 684 C ILE A 47 -5.730 13.601 3.938 1.00 0.00 C ATOM 685 O ILE A 47 -4.645 13.978 4.384 1.00 0.00 O ATOM 686 CB ILE A 47 -6.468 13.055 1.618 1.00 0.00 C ATOM 687 CG1 ILE A 47 -6.489 11.991 0.518 1.00 0.00 C ATOM 688 CG2 ILE A 47 -5.739 14.302 1.142 1.00 0.00 C ATOM 689 CD1 ILE A 47 -7.457 12.300 -0.603 1.00 0.00 C ATOM 0 H ILE A 47 -7.391 11.128 2.910 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.794 12.163 2.647 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.497 13.327 1.854 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.486 11.889 0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.751 11.029 0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.221 14.684 0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.772 15.063 1.922 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.701 14.054 0.920 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.419 11.504 -1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.468 12.373 -0.201 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.183 13.246 -1.070 1.00 0.00 H new ATOM 701 N HIS A 48 -6.891 14.117 4.329 1.00 0.00 N ATOM 702 CA HIS A 48 -6.959 15.178 5.328 1.00 0.00 C ATOM 703 C HIS A 48 -5.971 14.920 6.462 1.00 0.00 C ATOM 704 O HIS A 48 -5.242 15.821 6.880 1.00 0.00 O ATOM 705 CB HIS A 48 -8.377 15.291 5.887 1.00 0.00 C ATOM 706 CG HIS A 48 -8.444 15.977 7.217 1.00 0.00 C ATOM 707 ND1 HIS A 48 -8.318 15.308 8.416 1.00 0.00 N ATOM 708 CD2 HIS A 48 -8.623 17.281 7.532 1.00 0.00 C ATOM 709 CE1 HIS A 48 -8.419 16.170 9.412 1.00 0.00 C ATOM 710 NE2 HIS A 48 -8.603 17.375 8.902 1.00 0.00 N ATOM 0 H HIS A 48 -7.797 13.818 3.969 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.692 16.117 4.844 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -8.997 15.836 5.175 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -8.802 14.292 5.981 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.757 18.096 6.836 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.361 15.931 10.464 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -8.712 18.235 9.439 1.00 0.00 H new ATOM 719 N ARG A 49 -5.953 13.687 6.956 1.00 0.00 N ATOM 720 CA ARG A 49 -5.056 13.312 8.043 1.00 0.00 C ATOM 721 C ARG A 49 -3.679 13.940 7.852 1.00 0.00 C ATOM 722 O ARG A 49 -3.240 14.758 8.661 1.00 0.00 O ATOM 723 CB ARG A 49 -4.928 11.790 8.124 1.00 0.00 C ATOM 724 CG ARG A 49 -3.892 11.319 9.132 1.00 0.00 C ATOM 725 CD ARG A 49 -4.505 11.116 10.508 1.00 0.00 C ATOM 726 NE ARG A 49 -3.620 10.367 11.396 1.00 0.00 N ATOM 727 CZ ARG A 49 -2.621 10.919 12.075 1.00 0.00 C ATOM 728 NH1 ARG A 49 -2.381 12.219 11.968 1.00 0.00 N ATOM 729 NH2 ARG A 49 -1.859 10.172 12.863 1.00 0.00 N ATOM 0 H ARG A 49 -6.549 12.930 6.621 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.480 13.684 8.976 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.897 11.366 8.386 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.667 11.403 7.139 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.448 10.385 8.789 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.086 12.050 9.196 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.728 12.086 10.952 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.452 10.586 10.408 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.778 9.365 11.500 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.964 12.797 11.363 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.613 12.641 12.491 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.040 9.172 12.948 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.092 10.598 13.384 1.00 0.00 H new ATOM 743 N PHE A 50 -3.001 13.550 6.777 1.00 0.00 N ATOM 744 CA PHE A 50 -1.672 14.074 6.481 1.00 0.00 C ATOM 745 C PHE A 50 -1.724 15.577 6.223 1.00 0.00 C ATOM 746 O PHE A 50 -0.983 16.348 6.831 1.00 0.00 O ATOM 747 CB PHE A 50 -1.078 13.357 5.267 1.00 0.00 C ATOM 748 CG PHE A 50 -0.825 11.894 5.499 1.00 0.00 C ATOM 749 CD1 PHE A 50 -1.832 10.964 5.302 1.00 0.00 C ATOM 750 CD2 PHE A 50 0.421 11.451 5.914 1.00 0.00 C ATOM 751 CE1 PHE A 50 -1.602 9.617 5.514 1.00 0.00 C ATOM 752 CE2 PHE A 50 0.656 10.106 6.128 1.00 0.00 C ATOM 753 CZ PHE A 50 -0.357 9.188 5.929 1.00 0.00 C ATOM 0 H PHE A 50 -3.349 12.874 6.097 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.036 13.895 7.348 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.755 13.471 4.421 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.141 13.841 4.992 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.808 11.295 4.979 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.216 12.164 6.072 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.395 8.901 5.355 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.631 9.773 6.451 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.175 8.137 6.098 1.00 0.00 H new ATOM 763 N ARG A 51 -2.606 15.985 5.315 1.00 0.00 N ATOM 764 CA ARG A 51 -2.754 17.394 4.975 1.00 0.00 C ATOM 765 C ARG A 51 -4.221 17.812 5.018 1.00 0.00 C ATOM 766 O ARG A 51 -4.955 17.694 4.037 1.00 0.00 O ATOM 767 CB ARG A 51 -2.176 17.669 3.585 1.00 0.00 C ATOM 768 CG ARG A 51 -0.706 18.056 3.603 1.00 0.00 C ATOM 769 CD ARG A 51 0.187 16.842 3.805 1.00 0.00 C ATOM 770 NE ARG A 51 1.601 17.205 3.862 1.00 0.00 N ATOM 771 CZ ARG A 51 2.589 16.354 3.612 1.00 0.00 C ATOM 772 NH1 ARG A 51 2.320 15.097 3.289 1.00 0.00 N ATOM 773 NH2 ARG A 51 3.850 16.760 3.685 1.00 0.00 N ATOM 0 H ARG A 51 -3.228 15.359 4.803 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.204 17.979 5.712 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.302 16.781 2.966 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.748 18.469 3.115 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.447 18.548 2.666 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.528 18.777 4.401 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.094 16.335 4.728 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.027 16.135 2.991 1.00 0.00 H new ATOM 0 HE ARG A 51 1.843 18.165 4.107 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.352 14.781 3.232 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.081 14.446 3.097 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.061 17.727 3.933 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.608 16.106 3.493 1.00 0.00 H new ATOM 787 N PRO A 52 -4.660 18.312 6.183 1.00 0.00 N ATOM 788 CA PRO A 52 -6.042 18.758 6.382 1.00 0.00 C ATOM 789 C PRO A 52 -6.359 20.031 5.604 1.00 0.00 C ATOM 790 O PRO A 52 -7.511 20.458 5.540 1.00 0.00 O ATOM 791 CB PRO A 52 -6.116 19.020 7.889 1.00 0.00 C ATOM 792 CG PRO A 52 -4.713 19.315 8.292 1.00 0.00 C ATOM 793 CD PRO A 52 -3.840 18.482 7.394 1.00 0.00 C ATOM 0 HA PRO A 52 -6.763 18.022 6.027 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.777 19.858 8.113 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.507 18.154 8.423 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.489 20.376 8.179 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.547 19.064 9.340 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.897 18.982 7.174 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.593 17.523 7.850 1.00 0.00 H new ATOM 801 N GLU A 53 -5.329 20.630 5.015 1.00 0.00 N ATOM 802 CA GLU A 53 -5.500 21.854 4.241 1.00 0.00 C ATOM 803 C GLU A 53 -6.222 21.571 2.927 1.00 0.00 C ATOM 804 O GLU A 53 -7.077 22.346 2.495 1.00 0.00 O ATOM 805 CB GLU A 53 -4.142 22.501 3.961 1.00 0.00 C ATOM 806 CG GLU A 53 -4.213 23.675 3.000 1.00 0.00 C ATOM 807 CD GLU A 53 -4.489 24.989 3.704 1.00 0.00 C ATOM 808 OE1 GLU A 53 -3.600 25.468 4.438 1.00 0.00 O ATOM 809 OE2 GLU A 53 -5.596 25.539 3.520 1.00 0.00 O ATOM 0 H GLU A 53 -4.369 20.288 5.059 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.108 22.542 4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.709 22.839 4.903 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.468 21.748 3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.273 23.750 2.454 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.995 23.490 2.264 1.00 0.00 H new ATOM 816 N LEU A 54 -5.871 20.457 2.294 1.00 0.00 N ATOM 817 CA LEU A 54 -6.483 20.071 1.028 1.00 0.00 C ATOM 818 C LEU A 54 -7.961 19.742 1.216 1.00 0.00 C ATOM 819 O LEU A 54 -8.827 20.352 0.588 1.00 0.00 O ATOM 820 CB LEU A 54 -5.753 18.866 0.432 1.00 0.00 C ATOM 821 CG LEU A 54 -4.236 19.002 0.294 1.00 0.00 C ATOM 822 CD1 LEU A 54 -3.609 17.657 -0.040 1.00 0.00 C ATOM 823 CD2 LEU A 54 -3.888 20.034 -0.768 1.00 0.00 C ATOM 0 H LEU A 54 -5.165 19.805 2.637 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.401 20.914 0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.965 17.995 1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.171 18.664 -0.554 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.832 19.342 1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.529 17.772 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.830 16.945 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.018 17.288 -0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.805 20.118 -0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.304 19.724 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.306 21.001 -0.487 1.00 0.00 H new ATOM 835 N ILE A 55 -8.241 18.777 2.085 1.00 0.00 N ATOM 836 CA ILE A 55 -9.614 18.370 2.359 1.00 0.00 C ATOM 837 C ILE A 55 -10.015 18.716 3.788 1.00 0.00 C ATOM 838 O ILE A 55 -9.240 18.526 4.725 1.00 0.00 O ATOM 839 CB ILE A 55 -9.809 16.859 2.133 1.00 0.00 C ATOM 840 CG1 ILE A 55 -9.382 16.474 0.715 1.00 0.00 C ATOM 841 CG2 ILE A 55 -11.259 16.470 2.380 1.00 0.00 C ATOM 842 CD1 ILE A 55 -9.388 14.982 0.467 1.00 0.00 C ATOM 0 H ILE A 55 -7.535 18.262 2.612 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.250 18.917 1.664 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.182 16.316 2.840 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.049 16.956 -0.000 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.380 16.861 0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.381 15.399 2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.531 16.714 3.407 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.905 17.018 1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.075 14.782 -0.558 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.700 14.496 1.158 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.394 14.591 0.622 1.00 0.00 H new ATOM 854 N ASN A 56 -11.233 19.223 3.949 1.00 0.00 N ATOM 855 CA ASN A 56 -11.739 19.594 5.266 1.00 0.00 C ATOM 856 C ASN A 56 -12.961 18.757 5.635 1.00 0.00 C ATOM 857 O ASN A 56 -14.100 19.182 5.439 1.00 0.00 O ATOM 858 CB ASN A 56 -12.097 21.081 5.297 1.00 0.00 C ATOM 859 CG ASN A 56 -12.491 21.551 6.684 1.00 0.00 C ATOM 860 OD1 ASN A 56 -12.264 20.857 7.675 1.00 0.00 O ATOM 861 ND2 ASN A 56 -13.085 22.737 6.760 1.00 0.00 N ATOM 0 H ASN A 56 -11.888 19.386 3.184 1.00 0.00 H new ATOM 0 HA ASN A 56 -10.954 19.401 5.997 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -11.246 21.664 4.947 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -12.918 21.269 4.605 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.373 23.106 7.666 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.253 23.278 5.912 1.00 0.00 H new ATOM 868 N PHE A 57 -12.715 17.566 6.171 1.00 0.00 N ATOM 869 CA PHE A 57 -13.795 16.669 6.567 1.00 0.00 C ATOM 870 C PHE A 57 -14.915 17.439 7.260 1.00 0.00 C ATOM 871 O PHE A 57 -16.082 17.334 6.881 1.00 0.00 O ATOM 872 CB PHE A 57 -13.263 15.575 7.495 1.00 0.00 C ATOM 873 CG PHE A 57 -14.179 14.392 7.614 1.00 0.00 C ATOM 874 CD1 PHE A 57 -15.389 14.500 8.281 1.00 0.00 C ATOM 875 CD2 PHE A 57 -13.832 13.171 7.059 1.00 0.00 C ATOM 876 CE1 PHE A 57 -16.234 13.412 8.392 1.00 0.00 C ATOM 877 CE2 PHE A 57 -14.673 12.079 7.166 1.00 0.00 C ATOM 878 CZ PHE A 57 -15.876 12.200 7.833 1.00 0.00 C ATOM 0 H PHE A 57 -11.778 17.200 6.341 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.199 16.207 5.666 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.294 15.238 7.128 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.099 15.998 8.486 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -15.675 15.445 8.719 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -12.892 13.071 6.536 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -17.174 13.509 8.915 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -14.390 11.133 6.729 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.536 11.349 7.918 1.00 0.00 H new ATOM 888 N ASP A 58 -14.552 18.212 8.277 1.00 0.00 N ATOM 889 CA ASP A 58 -15.525 19.001 9.024 1.00 0.00 C ATOM 890 C ASP A 58 -16.597 19.562 8.095 1.00 0.00 C ATOM 891 O ASP A 58 -17.780 19.577 8.434 1.00 0.00 O ATOM 892 CB ASP A 58 -14.827 20.142 9.766 1.00 0.00 C ATOM 893 CG ASP A 58 -13.535 19.699 10.425 1.00 0.00 C ATOM 894 OD1 ASP A 58 -13.600 18.900 11.382 1.00 0.00 O ATOM 895 OD2 ASP A 58 -12.459 20.151 9.982 1.00 0.00 O ATOM 0 H ASP A 58 -13.591 18.309 8.604 1.00 0.00 H new ATOM 0 HA ASP A 58 -16.006 18.346 9.751 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.616 20.951 9.067 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.499 20.543 10.524 1.00 0.00 H new ATOM 900 N SER A 59 -16.174 20.025 6.923 1.00 0.00 N ATOM 901 CA SER A 59 -17.097 20.592 5.947 1.00 0.00 C ATOM 902 C SER A 59 -17.793 19.490 5.153 1.00 0.00 C ATOM 903 O SER A 59 -19.005 19.533 4.941 1.00 0.00 O ATOM 904 CB SER A 59 -16.352 21.530 4.994 1.00 0.00 C ATOM 905 OG SER A 59 -17.234 22.090 4.037 1.00 0.00 O ATOM 0 H SER A 59 -15.198 20.019 6.626 1.00 0.00 H new ATOM 0 HA SER A 59 -17.854 21.160 6.487 1.00 0.00 H new ATOM 0 HB2 SER A 59 -15.874 22.327 5.563 1.00 0.00 H new ATOM 0 HB3 SER A 59 -15.559 20.982 4.485 1.00 0.00 H new ATOM 0 HG SER A 59 -16.734 22.686 3.441 1.00 0.00 H new ATOM 911 N LEU A 60 -17.017 18.504 4.717 1.00 0.00 N ATOM 912 CA LEU A 60 -17.557 17.390 3.946 1.00 0.00 C ATOM 913 C LEU A 60 -18.765 16.777 4.648 1.00 0.00 C ATOM 914 O LEU A 60 -18.652 16.254 5.756 1.00 0.00 O ATOM 915 CB LEU A 60 -16.482 16.323 3.732 1.00 0.00 C ATOM 916 CG LEU A 60 -15.182 16.801 3.085 1.00 0.00 C ATOM 917 CD1 LEU A 60 -14.130 15.703 3.125 1.00 0.00 C ATOM 918 CD2 LEU A 60 -15.432 17.251 1.653 1.00 0.00 C ATOM 0 H LEU A 60 -16.012 18.453 4.884 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.878 17.773 2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.242 15.879 4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.903 15.531 3.113 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.809 17.654 3.652 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.212 16.062 2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.929 15.429 4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.494 14.830 2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.495 17.588 1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.829 16.417 1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.151 18.071 1.649 1.00 0.00 H new ATOM 930 N ASN A 61 -19.920 16.844 3.994 1.00 0.00 N ATOM 931 CA ASN A 61 -21.149 16.294 4.555 1.00 0.00 C ATOM 932 C ASN A 61 -21.605 15.069 3.768 1.00 0.00 C ATOM 933 O ASN A 61 -21.491 15.028 2.544 1.00 0.00 O ATOM 934 CB ASN A 61 -22.253 17.354 4.556 1.00 0.00 C ATOM 935 CG ASN A 61 -23.639 16.744 4.484 1.00 0.00 C ATOM 936 OD1 ASN A 61 -23.887 15.670 5.031 1.00 0.00 O ATOM 937 ND2 ASN A 61 -24.552 17.430 3.805 1.00 0.00 N ATOM 0 H ASN A 61 -20.031 17.273 3.075 1.00 0.00 H new ATOM 0 HA ASN A 61 -20.946 15.990 5.582 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -22.172 17.959 5.459 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -22.110 18.025 3.709 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -25.503 17.070 3.722 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -24.302 18.317 3.367 1.00 0.00 H new ATOM 944 N GLU A 62 -22.123 14.074 4.482 1.00 0.00 N ATOM 945 CA GLU A 62 -22.597 12.848 3.850 1.00 0.00 C ATOM 946 C GLU A 62 -23.378 13.159 2.576 1.00 0.00 C ATOM 947 O GLU A 62 -23.057 12.655 1.500 1.00 0.00 O ATOM 948 CB GLU A 62 -23.475 12.054 4.819 1.00 0.00 C ATOM 949 CG GLU A 62 -22.798 11.752 6.145 1.00 0.00 C ATOM 950 CD GLU A 62 -23.316 10.479 6.787 1.00 0.00 C ATOM 951 OE1 GLU A 62 -22.830 9.389 6.420 1.00 0.00 O ATOM 952 OE2 GLU A 62 -24.207 10.574 7.657 1.00 0.00 O ATOM 0 H GLU A 62 -22.225 14.093 5.497 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.727 12.247 3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -24.391 12.613 5.008 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -23.766 11.116 4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -21.723 11.664 5.988 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -22.953 12.588 6.827 1.00 0.00 H new ATOM 959 N ASP A 63 -24.405 13.992 2.708 1.00 0.00 N ATOM 960 CA ASP A 63 -25.233 14.371 1.569 1.00 0.00 C ATOM 961 C ASP A 63 -24.368 14.799 0.387 1.00 0.00 C ATOM 962 O ASP A 63 -24.732 14.589 -0.770 1.00 0.00 O ATOM 963 CB ASP A 63 -26.184 15.504 1.957 1.00 0.00 C ATOM 964 CG ASP A 63 -26.795 15.302 3.330 1.00 0.00 C ATOM 965 OD1 ASP A 63 -26.850 14.142 3.789 1.00 0.00 O ATOM 966 OD2 ASP A 63 -27.219 16.303 3.944 1.00 0.00 O ATOM 0 H ASP A 63 -24.684 14.417 3.592 1.00 0.00 H new ATOM 0 HA ASP A 63 -25.819 13.501 1.272 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -25.644 16.450 1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -26.980 15.577 1.215 1.00 0.00 H new ATOM 971 N ASP A 64 -23.222 15.401 0.687 1.00 0.00 N ATOM 972 CA ASP A 64 -22.305 15.859 -0.351 1.00 0.00 C ATOM 973 C ASP A 64 -21.366 14.735 -0.780 1.00 0.00 C ATOM 974 O ASP A 64 -20.168 14.950 -0.960 1.00 0.00 O ATOM 975 CB ASP A 64 -21.493 17.055 0.148 1.00 0.00 C ATOM 976 CG ASP A 64 -22.245 18.364 0.004 1.00 0.00 C ATOM 977 OD1 ASP A 64 -23.489 18.350 0.115 1.00 0.00 O ATOM 978 OD2 ASP A 64 -21.589 19.403 -0.218 1.00 0.00 O ATOM 0 H ASP A 64 -22.906 15.583 1.640 1.00 0.00 H new ATOM 0 HA ASP A 64 -22.896 16.165 -1.214 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -21.232 16.902 1.195 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -20.558 17.113 -0.408 1.00 0.00 H new ATOM 983 N ALA A 65 -21.919 13.538 -0.942 1.00 0.00 N ATOM 984 CA ALA A 65 -21.132 12.382 -1.351 1.00 0.00 C ATOM 985 C ALA A 65 -20.517 12.596 -2.730 1.00 0.00 C ATOM 986 O ALA A 65 -19.320 12.387 -2.927 1.00 0.00 O ATOM 987 CB ALA A 65 -21.993 11.127 -1.344 1.00 0.00 C ATOM 0 H ALA A 65 -22.910 13.344 -0.796 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.320 12.256 -0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.392 10.272 -1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -22.379 10.956 -0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -22.826 11.253 -2.036 1.00 0.00 H new ATOM 993 N VAL A 66 -21.344 13.014 -3.683 1.00 0.00 N ATOM 994 CA VAL A 66 -20.882 13.258 -5.044 1.00 0.00 C ATOM 995 C VAL A 66 -19.711 14.233 -5.060 1.00 0.00 C ATOM 996 O VAL A 66 -18.677 13.967 -5.672 1.00 0.00 O ATOM 997 CB VAL A 66 -22.012 13.814 -5.930 1.00 0.00 C ATOM 998 CG1 VAL A 66 -21.497 14.111 -7.330 1.00 0.00 C ATOM 999 CG2 VAL A 66 -23.180 12.840 -5.978 1.00 0.00 C ATOM 0 H VAL A 66 -22.338 13.191 -3.537 1.00 0.00 H new ATOM 0 HA VAL A 66 -20.557 12.298 -5.445 1.00 0.00 H new ATOM 0 HB VAL A 66 -22.365 14.748 -5.493 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -22.310 14.503 -7.941 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -20.697 14.849 -7.274 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -21.115 13.194 -7.779 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -23.969 13.249 -6.609 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -22.844 11.888 -6.390 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -23.565 12.684 -4.970 1.00 0.00 H new ATOM 1009 N GLU A 67 -19.881 15.365 -4.383 1.00 0.00 N ATOM 1010 CA GLU A 67 -18.837 16.381 -4.320 1.00 0.00 C ATOM 1011 C GLU A 67 -17.617 15.862 -3.565 1.00 0.00 C ATOM 1012 O GLU A 67 -16.485 15.993 -4.029 1.00 0.00 O ATOM 1013 CB GLU A 67 -19.367 17.648 -3.646 1.00 0.00 C ATOM 1014 CG GLU A 67 -20.438 18.364 -4.451 1.00 0.00 C ATOM 1015 CD GLU A 67 -19.872 19.096 -5.652 1.00 0.00 C ATOM 1016 OE1 GLU A 67 -18.672 19.440 -5.625 1.00 0.00 O ATOM 1017 OE2 GLU A 67 -20.629 19.326 -6.618 1.00 0.00 O ATOM 0 H GLU A 67 -20.731 15.601 -3.871 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.537 16.620 -5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.773 17.387 -2.669 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.536 18.332 -3.473 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -21.179 17.640 -4.788 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.956 19.075 -3.808 1.00 0.00 H new ATOM 1024 N ASN A 68 -17.857 15.273 -2.398 1.00 0.00 N ATOM 1025 CA ASN A 68 -16.778 14.735 -1.577 1.00 0.00 C ATOM 1026 C ASN A 68 -15.844 13.862 -2.410 1.00 0.00 C ATOM 1027 O ASN A 68 -14.645 14.123 -2.495 1.00 0.00 O ATOM 1028 CB ASN A 68 -17.351 13.922 -0.414 1.00 0.00 C ATOM 1029 CG ASN A 68 -18.128 14.782 0.564 1.00 0.00 C ATOM 1030 OD1 ASN A 68 -17.993 16.006 0.576 1.00 0.00 O ATOM 1031 ND2 ASN A 68 -18.948 14.144 1.391 1.00 0.00 N ATOM 0 H ASN A 68 -18.789 15.156 -2.000 1.00 0.00 H new ATOM 0 HA ASN A 68 -16.205 15.573 -1.179 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -18.004 13.142 -0.806 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -16.538 13.422 0.112 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.497 14.670 2.071 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -19.029 13.128 1.346 1.00 0.00 H new ATOM 1038 N ASN A 69 -16.404 12.824 -3.024 1.00 0.00 N ATOM 1039 CA ASN A 69 -15.621 11.912 -3.850 1.00 0.00 C ATOM 1040 C ASN A 69 -14.804 12.681 -4.884 1.00 0.00 C ATOM 1041 O ASN A 69 -13.575 12.618 -4.889 1.00 0.00 O ATOM 1042 CB ASN A 69 -16.540 10.911 -4.553 1.00 0.00 C ATOM 1043 CG ASN A 69 -17.034 9.825 -3.617 1.00 0.00 C ATOM 1044 OD1 ASN A 69 -16.257 9.239 -2.863 1.00 0.00 O ATOM 1045 ND2 ASN A 69 -18.333 9.551 -3.661 1.00 0.00 N ATOM 0 H ASN A 69 -17.396 12.594 -2.965 1.00 0.00 H new ATOM 0 HA ASN A 69 -14.935 11.370 -3.199 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -17.395 11.440 -4.975 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -16.006 10.454 -5.386 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -18.723 8.830 -3.054 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -18.941 10.062 -4.302 1.00 0.00 H new ATOM 1052 N GLN A 70 -15.496 13.406 -5.757 1.00 0.00 N ATOM 1053 CA GLN A 70 -14.834 14.187 -6.796 1.00 0.00 C ATOM 1054 C GLN A 70 -13.645 14.953 -6.226 1.00 0.00 C ATOM 1055 O GLN A 70 -12.550 14.932 -6.791 1.00 0.00 O ATOM 1056 CB GLN A 70 -15.822 15.160 -7.440 1.00 0.00 C ATOM 1057 CG GLN A 70 -15.427 15.589 -8.844 1.00 0.00 C ATOM 1058 CD GLN A 70 -15.394 14.429 -9.820 1.00 0.00 C ATOM 1059 OE1 GLN A 70 -14.259 13.743 -9.886 1.00 0.00 O flip ATOM 1060 NE2 GLN A 70 -16.378 14.153 -10.507 1.00 0.00 N flip ATOM 0 H GLN A 70 -16.514 13.469 -5.766 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.468 13.497 -7.556 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.807 14.694 -7.475 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -15.910 16.045 -6.810 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.131 16.340 -9.202 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.445 16.061 -8.813 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -17.230 14.708 -10.424 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -16.341 13.370 -11.159 1.00 0.00 H new ATOM 1069 N LEU A 71 -13.866 15.630 -5.104 1.00 0.00 N ATOM 1070 CA LEU A 71 -12.813 16.404 -4.457 1.00 0.00 C ATOM 1071 C LEU A 71 -11.580 15.542 -4.204 1.00 0.00 C ATOM 1072 O LEU A 71 -10.512 15.790 -4.763 1.00 0.00 O ATOM 1073 CB LEU A 71 -13.319 16.988 -3.137 1.00 0.00 C ATOM 1074 CG LEU A 71 -12.283 17.722 -2.286 1.00 0.00 C ATOM 1075 CD1 LEU A 71 -11.976 19.089 -2.878 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -12.770 17.857 -0.851 1.00 0.00 C ATOM 0 H LEU A 71 -14.765 15.658 -4.624 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.534 17.219 -5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -14.134 17.678 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.740 16.177 -2.542 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.364 17.136 -2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.237 19.596 -2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.582 18.968 -3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.889 19.684 -2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.020 18.382 -0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.703 18.420 -0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.936 16.866 -0.429 1.00 0.00 H new ATOM 1088 N ALA A 72 -11.737 14.527 -3.361 1.00 0.00 N ATOM 1089 CA ALA A 72 -10.638 13.626 -3.037 1.00 0.00 C ATOM 1090 C ALA A 72 -9.899 13.187 -4.297 1.00 0.00 C ATOM 1091 O ALA A 72 -8.670 13.238 -4.358 1.00 0.00 O ATOM 1092 CB ALA A 72 -11.156 12.413 -2.278 1.00 0.00 C ATOM 0 H ALA A 72 -12.615 14.308 -2.890 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.934 14.165 -2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.324 11.749 -2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.633 12.739 -1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -11.882 11.882 -2.893 1.00 0.00 H new ATOM 1098 N PHE A 73 -10.655 12.756 -5.301 1.00 0.00 N ATOM 1099 CA PHE A 73 -10.071 12.307 -6.560 1.00 0.00 C ATOM 1100 C PHE A 73 -9.252 13.419 -7.207 1.00 0.00 C ATOM 1101 O PHE A 73 -8.102 13.213 -7.595 1.00 0.00 O ATOM 1102 CB PHE A 73 -11.170 11.843 -7.519 1.00 0.00 C ATOM 1103 CG PHE A 73 -11.925 10.641 -7.029 1.00 0.00 C ATOM 1104 CD1 PHE A 73 -11.258 9.581 -6.437 1.00 0.00 C ATOM 1105 CD2 PHE A 73 -13.303 10.572 -7.160 1.00 0.00 C ATOM 1106 CE1 PHE A 73 -11.951 8.474 -5.984 1.00 0.00 C ATOM 1107 CE2 PHE A 73 -14.001 9.467 -6.709 1.00 0.00 C ATOM 1108 CZ PHE A 73 -13.324 8.416 -6.121 1.00 0.00 C ATOM 0 H PHE A 73 -11.673 12.708 -5.268 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.407 11.469 -6.346 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.871 12.662 -7.679 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.723 11.612 -8.486 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -10.184 9.620 -6.328 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -13.837 11.390 -7.619 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -11.419 7.655 -5.523 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -15.075 9.425 -6.816 1.00 0.00 H new ATOM 0 HZ PHE A 73 -13.867 7.551 -5.769 1.00 0.00 H new ATOM 1118 N ASP A 74 -9.853 14.599 -7.321 1.00 0.00 N ATOM 1119 CA ASP A 74 -9.179 15.745 -7.920 1.00 0.00 C ATOM 1120 C ASP A 74 -7.893 16.073 -7.170 1.00 0.00 C ATOM 1121 O ASP A 74 -6.812 16.118 -7.758 1.00 0.00 O ATOM 1122 CB ASP A 74 -10.106 16.962 -7.926 1.00 0.00 C ATOM 1123 CG ASP A 74 -9.819 17.903 -9.080 1.00 0.00 C ATOM 1124 OD1 ASP A 74 -9.282 17.436 -10.106 1.00 0.00 O ATOM 1125 OD2 ASP A 74 -10.133 19.105 -8.956 1.00 0.00 O ATOM 0 H ASP A 74 -10.805 14.786 -7.007 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.922 15.488 -8.948 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.141 16.626 -7.984 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.998 17.502 -6.985 1.00 0.00 H new ATOM 1130 N VAL A 75 -8.016 16.304 -5.866 1.00 0.00 N ATOM 1131 CA VAL A 75 -6.863 16.628 -5.034 1.00 0.00 C ATOM 1132 C VAL A 75 -5.738 15.619 -5.237 1.00 0.00 C ATOM 1133 O VAL A 75 -4.565 15.985 -5.296 1.00 0.00 O ATOM 1134 CB VAL A 75 -7.241 16.667 -3.542 1.00 0.00 C ATOM 1135 CG1 VAL A 75 -6.015 16.950 -2.688 1.00 0.00 C ATOM 1136 CG2 VAL A 75 -8.325 17.705 -3.294 1.00 0.00 C ATOM 0 H VAL A 75 -8.903 16.273 -5.363 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.520 17.616 -5.340 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.634 15.690 -3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.302 16.974 -1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.274 16.166 -2.844 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.590 17.913 -2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.580 17.719 -2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.962 18.688 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.211 17.452 -3.877 1.00 0.00 H new ATOM 1146 N ALA A 76 -6.105 14.346 -5.343 1.00 0.00 N ATOM 1147 CA ALA A 76 -5.127 13.283 -5.541 1.00 0.00 C ATOM 1148 C ALA A 76 -4.497 13.369 -6.927 1.00 0.00 C ATOM 1149 O ALA A 76 -3.335 13.008 -7.113 1.00 0.00 O ATOM 1150 CB ALA A 76 -5.777 11.923 -5.338 1.00 0.00 C ATOM 0 H ALA A 76 -7.072 14.026 -5.295 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.336 13.409 -4.802 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.035 11.139 -5.489 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.174 11.857 -4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.589 11.797 -6.054 1.00 0.00 H new ATOM 1156 N GLU A 77 -5.272 13.847 -7.896 1.00 0.00 N ATOM 1157 CA GLU A 77 -4.788 13.978 -9.265 1.00 0.00 C ATOM 1158 C GLU A 77 -4.007 15.276 -9.445 1.00 0.00 C ATOM 1159 O GLU A 77 -3.310 15.461 -10.443 1.00 0.00 O ATOM 1160 CB GLU A 77 -5.959 13.933 -10.249 1.00 0.00 C ATOM 1161 CG GLU A 77 -5.564 13.482 -11.645 1.00 0.00 C ATOM 1162 CD GLU A 77 -6.458 14.065 -12.722 1.00 0.00 C ATOM 1163 OE1 GLU A 77 -6.850 15.244 -12.593 1.00 0.00 O ATOM 1164 OE2 GLU A 77 -6.767 13.343 -13.693 1.00 0.00 O ATOM 0 H GLU A 77 -6.236 14.149 -7.758 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.119 13.142 -9.468 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.723 13.259 -9.861 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.409 14.924 -10.310 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.532 13.773 -11.838 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.603 12.394 -11.696 1.00 0.00 H new ATOM 1171 N ARG A 78 -4.130 16.173 -8.472 1.00 0.00 N ATOM 1172 CA ARG A 78 -3.438 17.456 -8.523 1.00 0.00 C ATOM 1173 C ARG A 78 -2.171 17.424 -7.673 1.00 0.00 C ATOM 1174 O ARG A 78 -1.173 18.061 -8.007 1.00 0.00 O ATOM 1175 CB ARG A 78 -4.361 18.577 -8.041 1.00 0.00 C ATOM 1176 CG ARG A 78 -5.682 18.643 -8.790 1.00 0.00 C ATOM 1177 CD ARG A 78 -6.789 19.211 -7.916 1.00 0.00 C ATOM 1178 NE ARG A 78 -6.576 20.623 -7.611 1.00 0.00 N ATOM 1179 CZ ARG A 78 -6.934 21.613 -8.422 1.00 0.00 C ATOM 1180 NH1 ARG A 78 -7.521 21.345 -9.581 1.00 0.00 N ATOM 1181 NH2 ARG A 78 -6.706 22.873 -8.074 1.00 0.00 N ATOM 0 H ARG A 78 -4.702 16.035 -7.639 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.156 17.648 -9.558 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.562 18.439 -6.979 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.845 19.531 -8.147 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.566 19.261 -9.680 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.960 17.645 -9.129 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.747 19.090 -8.421 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.844 18.644 -6.987 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.128 20.863 -6.727 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.698 20.378 -9.851 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.795 22.106 -10.202 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.255 23.083 -7.183 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.981 23.632 -8.697 1.00 0.00 H new ATOM 1195 N GLU A 79 -2.221 16.678 -6.574 1.00 0.00 N ATOM 1196 CA GLU A 79 -1.078 16.564 -5.676 1.00 0.00 C ATOM 1197 C GLU A 79 -0.320 15.262 -5.921 1.00 0.00 C ATOM 1198 O GLU A 79 0.885 15.270 -6.171 1.00 0.00 O ATOM 1199 CB GLU A 79 -1.537 16.634 -4.218 1.00 0.00 C ATOM 1200 CG GLU A 79 -1.742 18.052 -3.712 1.00 0.00 C ATOM 1201 CD GLU A 79 -0.435 18.770 -3.441 1.00 0.00 C ATOM 1202 OE1 GLU A 79 0.157 18.540 -2.366 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -0.004 19.562 -4.305 1.00 0.00 O ATOM 0 H GLU A 79 -3.040 16.144 -6.284 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.406 17.398 -5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.470 16.081 -4.113 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.799 16.136 -3.589 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.316 18.616 -4.447 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.334 18.025 -2.797 1.00 0.00 H new ATOM 1210 N PHE A 80 -1.037 14.145 -5.846 1.00 0.00 N ATOM 1211 CA PHE A 80 -0.433 12.835 -6.058 1.00 0.00 C ATOM 1212 C PHE A 80 -0.372 12.498 -7.545 1.00 0.00 C ATOM 1213 O PHE A 80 0.421 11.659 -7.970 1.00 0.00 O ATOM 1214 CB PHE A 80 -1.225 11.759 -5.312 1.00 0.00 C ATOM 1215 CG PHE A 80 -1.503 12.106 -3.877 1.00 0.00 C ATOM 1216 CD1 PHE A 80 -0.478 12.508 -3.037 1.00 0.00 C ATOM 1217 CD2 PHE A 80 -2.790 12.030 -3.369 1.00 0.00 C ATOM 1218 CE1 PHE A 80 -0.731 12.827 -1.716 1.00 0.00 C ATOM 1219 CE2 PHE A 80 -3.049 12.349 -2.049 1.00 0.00 C ATOM 1220 CZ PHE A 80 -2.018 12.748 -1.222 1.00 0.00 C ATOM 0 H PHE A 80 -2.036 14.121 -5.640 1.00 0.00 H new ATOM 0 HA PHE A 80 0.585 12.864 -5.668 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -2.171 11.593 -5.827 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.672 10.820 -5.350 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.530 12.573 -3.418 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.600 11.718 -4.012 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.077 13.138 -1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.057 12.286 -1.665 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.218 12.998 -0.190 1.00 0.00 H new ATOM 1230 N GLY A 81 -1.217 13.159 -8.331 1.00 0.00 N ATOM 1231 CA GLY A 81 -1.244 12.916 -9.761 1.00 0.00 C ATOM 1232 C GLY A 81 -1.793 11.546 -10.106 1.00 0.00 C ATOM 1233 O GLY A 81 -1.361 10.923 -11.077 1.00 0.00 O ATOM 0 H GLY A 81 -1.883 13.858 -8.002 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.852 13.680 -10.245 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.235 13.011 -10.162 1.00 0.00 H new ATOM 1237 N ILE A 82 -2.746 11.074 -9.309 1.00 0.00 N ATOM 1238 CA ILE A 82 -3.354 9.769 -9.536 1.00 0.00 C ATOM 1239 C ILE A 82 -4.725 9.907 -10.187 1.00 0.00 C ATOM 1240 O ILE A 82 -5.657 10.473 -9.616 1.00 0.00 O ATOM 1241 CB ILE A 82 -3.499 8.980 -8.221 1.00 0.00 C ATOM 1242 CG1 ILE A 82 -2.143 8.854 -7.523 1.00 0.00 C ATOM 1243 CG2 ILE A 82 -4.091 7.605 -8.491 1.00 0.00 C ATOM 1244 CD1 ILE A 82 -2.218 8.171 -6.176 1.00 0.00 C ATOM 0 H ILE A 82 -3.113 11.576 -8.501 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.690 9.223 -10.207 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.176 9.523 -7.562 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.463 8.296 -8.167 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.716 9.849 -7.394 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.187 7.060 -7.552 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.074 7.716 -8.949 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.437 7.053 -9.166 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.221 8.117 -5.740 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.873 8.740 -5.516 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.615 7.164 -6.301 1.00 0.00 H new ATOM 1256 N PRO A 83 -4.854 9.375 -11.412 1.00 0.00 N ATOM 1257 CA PRO A 83 -6.110 9.424 -12.168 1.00 0.00 C ATOM 1258 C PRO A 83 -7.187 8.532 -11.560 1.00 0.00 C ATOM 1259 O PRO A 83 -6.997 7.331 -11.368 1.00 0.00 O ATOM 1260 CB PRO A 83 -5.710 8.912 -13.553 1.00 0.00 C ATOM 1261 CG PRO A 83 -4.512 8.059 -13.311 1.00 0.00 C ATOM 1262 CD PRO A 83 -3.785 8.686 -12.153 1.00 0.00 C ATOM 0 HA PRO A 83 -6.542 10.425 -12.177 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.517 8.340 -14.012 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.479 9.736 -14.228 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.803 7.034 -13.081 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -3.876 8.019 -14.195 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -3.288 7.936 -11.537 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.017 9.382 -12.490 1.00 0.00 H new ATOM 1270 N PRO A 84 -8.347 9.131 -11.251 1.00 0.00 N ATOM 1271 CA PRO A 84 -9.478 8.408 -10.661 1.00 0.00 C ATOM 1272 C PRO A 84 -10.126 7.443 -11.648 1.00 0.00 C ATOM 1273 O PRO A 84 -10.311 7.769 -12.821 1.00 0.00 O ATOM 1274 CB PRO A 84 -10.455 9.525 -10.285 1.00 0.00 C ATOM 1275 CG PRO A 84 -10.125 10.645 -11.210 1.00 0.00 C ATOM 1276 CD PRO A 84 -8.643 10.559 -11.452 1.00 0.00 C ATOM 0 HA PRO A 84 -9.172 7.789 -9.818 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.489 9.203 -10.406 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.334 9.823 -9.244 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.679 10.555 -12.145 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.394 11.606 -10.771 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.380 10.886 -12.458 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.085 11.187 -10.757 1.00 0.00 H new ATOM 1284 N VAL A 85 -10.472 6.254 -11.165 1.00 0.00 N ATOM 1285 CA VAL A 85 -11.102 5.241 -12.004 1.00 0.00 C ATOM 1286 C VAL A 85 -12.596 5.502 -12.151 1.00 0.00 C ATOM 1287 O VAL A 85 -13.209 5.124 -13.151 1.00 0.00 O ATOM 1288 CB VAL A 85 -10.892 3.827 -11.431 1.00 0.00 C ATOM 1289 CG1 VAL A 85 -9.410 3.492 -11.363 1.00 0.00 C ATOM 1290 CG2 VAL A 85 -11.538 3.708 -10.058 1.00 0.00 C ATOM 0 H VAL A 85 -10.327 5.968 -10.197 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.628 5.301 -12.983 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.371 3.109 -12.097 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.282 2.489 -10.956 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.981 3.534 -12.364 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -8.903 4.212 -10.720 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.380 2.703 -9.668 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.090 4.435 -9.381 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.608 3.901 -10.141 1.00 0.00 H new ATOM 1300 N THR A 86 -13.180 6.151 -11.148 1.00 0.00 N ATOM 1301 CA THR A 86 -14.604 6.462 -11.165 1.00 0.00 C ATOM 1302 C THR A 86 -14.859 7.895 -10.711 1.00 0.00 C ATOM 1303 O THR A 86 -14.070 8.470 -9.960 1.00 0.00 O ATOM 1304 CB THR A 86 -15.399 5.501 -10.262 1.00 0.00 C ATOM 1305 OG1 THR A 86 -16.800 5.784 -10.359 1.00 0.00 O ATOM 1306 CG2 THR A 86 -14.951 5.623 -8.814 1.00 0.00 C ATOM 0 H THR A 86 -12.688 6.471 -10.314 1.00 0.00 H new ATOM 0 HA THR A 86 -14.941 6.344 -12.195 1.00 0.00 H new ATOM 0 HB THR A 86 -15.210 4.482 -10.599 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.299 5.168 -9.783 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.527 4.934 -8.196 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.891 5.378 -8.739 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.113 6.644 -8.468 1.00 0.00 H new ATOM 1314 N THR A 87 -15.966 8.468 -11.171 1.00 0.00 N ATOM 1315 CA THR A 87 -16.325 9.835 -10.813 1.00 0.00 C ATOM 1316 C THR A 87 -17.292 9.858 -9.635 1.00 0.00 C ATOM 1317 O THR A 87 -18.205 9.038 -9.551 1.00 0.00 O ATOM 1318 CB THR A 87 -16.964 10.578 -12.001 1.00 0.00 C ATOM 1319 OG1 THR A 87 -18.139 9.885 -12.438 1.00 0.00 O ATOM 1320 CG2 THR A 87 -15.981 10.698 -13.156 1.00 0.00 C ATOM 0 H THR A 87 -16.630 8.007 -11.793 1.00 0.00 H new ATOM 0 HA THR A 87 -15.401 10.341 -10.532 1.00 0.00 H new ATOM 0 HB THR A 87 -17.236 11.580 -11.670 1.00 0.00 H new ATOM 0 HG1 THR A 87 -18.540 10.365 -13.192 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.455 11.226 -13.983 1.00 0.00 H new ATOM 0 HG22 THR A 87 -15.101 11.251 -12.829 1.00 0.00 H new ATOM 0 HG23 THR A 87 -15.682 9.703 -13.485 1.00 0.00 H new ATOM 1328 N GLY A 88 -17.085 10.805 -8.724 1.00 0.00 N ATOM 1329 CA GLY A 88 -17.947 10.918 -7.562 1.00 0.00 C ATOM 1330 C GLY A 88 -19.387 10.556 -7.871 1.00 0.00 C ATOM 1331 O GLY A 88 -19.994 9.743 -7.173 1.00 0.00 O ATOM 0 H GLY A 88 -16.336 11.496 -8.770 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.573 10.267 -6.772 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -17.906 11.938 -7.181 1.00 0.00 H new ATOM 1335 N LYS A 89 -19.936 11.160 -8.919 1.00 0.00 N ATOM 1336 CA LYS A 89 -21.313 10.898 -9.320 1.00 0.00 C ATOM 1337 C LYS A 89 -21.585 9.398 -9.381 1.00 0.00 C ATOM 1338 O LYS A 89 -22.464 8.889 -8.686 1.00 0.00 O ATOM 1339 CB LYS A 89 -21.600 11.535 -10.681 1.00 0.00 C ATOM 1340 CG LYS A 89 -21.714 13.049 -10.632 1.00 0.00 C ATOM 1341 CD LYS A 89 -23.079 13.489 -10.130 1.00 0.00 C ATOM 1342 CE LYS A 89 -24.148 13.315 -11.197 1.00 0.00 C ATOM 1343 NZ LYS A 89 -23.958 14.260 -12.332 1.00 0.00 N ATOM 0 H LYS A 89 -19.448 11.835 -9.507 1.00 0.00 H new ATOM 0 HA LYS A 89 -21.973 11.340 -8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -20.806 11.261 -11.376 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -22.527 11.122 -11.078 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -20.938 13.452 -9.981 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -21.541 13.460 -11.627 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -23.347 12.909 -9.247 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -23.036 14.534 -9.824 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -24.126 12.291 -11.570 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -25.132 13.472 -10.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -24.837 14.319 -12.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -23.717 15.202 -11.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -23.187 13.920 -12.942 1.00 0.00 H new ATOM 1357 N GLU A 90 -20.825 8.696 -10.216 1.00 0.00 N ATOM 1358 CA GLU A 90 -20.985 7.255 -10.366 1.00 0.00 C ATOM 1359 C GLU A 90 -20.672 6.533 -9.058 1.00 0.00 C ATOM 1360 O GLU A 90 -21.435 5.678 -8.611 1.00 0.00 O ATOM 1361 CB GLU A 90 -20.077 6.732 -11.480 1.00 0.00 C ATOM 1362 CG GLU A 90 -20.506 5.383 -12.033 1.00 0.00 C ATOM 1363 CD GLU A 90 -21.580 5.505 -13.097 1.00 0.00 C ATOM 1364 OE1 GLU A 90 -21.557 6.498 -13.854 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -22.444 4.606 -13.173 1.00 0.00 O ATOM 0 H GLU A 90 -20.093 9.102 -10.799 1.00 0.00 H new ATOM 0 HA GLU A 90 -22.024 7.056 -10.631 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -20.058 7.459 -12.292 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -19.059 6.652 -11.100 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -19.639 4.874 -12.454 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -20.876 4.761 -11.218 1.00 0.00 H new ATOM 1372 N MET A 91 -19.543 6.885 -8.451 1.00 0.00 N ATOM 1373 CA MET A 91 -19.129 6.272 -7.195 1.00 0.00 C ATOM 1374 C MET A 91 -20.279 6.253 -6.194 1.00 0.00 C ATOM 1375 O MET A 91 -20.491 5.261 -5.496 1.00 0.00 O ATOM 1376 CB MET A 91 -17.936 7.025 -6.604 1.00 0.00 C ATOM 1377 CG MET A 91 -17.298 6.320 -5.418 1.00 0.00 C ATOM 1378 SD MET A 91 -16.437 4.808 -5.891 1.00 0.00 S ATOM 1379 CE MET A 91 -17.512 3.568 -5.174 1.00 0.00 C ATOM 0 H MET A 91 -18.899 7.591 -8.809 1.00 0.00 H new ATOM 0 HA MET A 91 -18.834 5.243 -7.402 1.00 0.00 H new ATOM 0 HB2 MET A 91 -17.184 7.164 -7.381 1.00 0.00 H new ATOM 0 HB3 MET A 91 -18.261 8.018 -6.294 1.00 0.00 H new ATOM 0 HG2 MET A 91 -16.595 6.997 -4.933 1.00 0.00 H new ATOM 0 HG3 MET A 91 -18.068 6.081 -4.685 1.00 0.00 H new ATOM 0 HE1 MET A 91 -17.193 2.578 -5.500 1.00 0.00 H new ATOM 0 HE2 MET A 91 -17.460 3.626 -4.087 1.00 0.00 H new ATOM 0 HE3 MET A 91 -18.538 3.744 -5.498 1.00 0.00 H new ATOM 1389 N ALA A 92 -21.020 7.354 -6.128 1.00 0.00 N ATOM 1390 CA ALA A 92 -22.149 7.463 -5.214 1.00 0.00 C ATOM 1391 C ALA A 92 -23.395 6.807 -5.800 1.00 0.00 C ATOM 1392 O ALA A 92 -24.165 6.165 -5.086 1.00 0.00 O ATOM 1393 CB ALA A 92 -22.424 8.922 -4.885 1.00 0.00 C ATOM 0 H ALA A 92 -20.858 8.184 -6.698 1.00 0.00 H new ATOM 0 HA ALA A 92 -21.891 6.938 -4.294 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -23.270 8.988 -4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -21.544 9.361 -4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -22.656 9.464 -5.802 1.00 0.00 H new ATOM 1399 N SER A 93 -23.587 6.973 -7.105 1.00 0.00 N ATOM 1400 CA SER A 93 -24.743 6.401 -7.786 1.00 0.00 C ATOM 1401 C SER A 93 -24.750 4.881 -7.659 1.00 0.00 C ATOM 1402 O SER A 93 -25.685 4.297 -7.110 1.00 0.00 O ATOM 1403 CB SER A 93 -24.740 6.800 -9.263 1.00 0.00 C ATOM 1404 OG SER A 93 -25.443 8.014 -9.465 1.00 0.00 O ATOM 0 H SER A 93 -22.957 7.499 -7.711 1.00 0.00 H new ATOM 0 HA SER A 93 -25.643 6.793 -7.313 1.00 0.00 H new ATOM 0 HB2 SER A 93 -23.713 6.909 -9.611 1.00 0.00 H new ATOM 0 HB3 SER A 93 -25.196 6.009 -9.858 1.00 0.00 H new ATOM 0 HG SER A 93 -25.425 8.248 -10.416 1.00 0.00 H new ATOM 1410 N ALA A 94 -23.701 4.245 -8.170 1.00 0.00 N ATOM 1411 CA ALA A 94 -23.585 2.793 -8.113 1.00 0.00 C ATOM 1412 C ALA A 94 -23.822 2.279 -6.697 1.00 0.00 C ATOM 1413 O ALA A 94 -23.039 2.554 -5.788 1.00 0.00 O ATOM 1414 CB ALA A 94 -22.217 2.353 -8.614 1.00 0.00 C ATOM 0 H ALA A 94 -22.919 4.713 -8.628 1.00 0.00 H new ATOM 0 HA ALA A 94 -24.351 2.366 -8.760 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -22.144 1.267 -8.566 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -22.085 2.680 -9.645 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.441 2.797 -7.990 1.00 0.00 H new ATOM 1420 N GLN A 95 -24.907 1.533 -6.517 1.00 0.00 N ATOM 1421 CA GLN A 95 -25.248 0.982 -5.211 1.00 0.00 C ATOM 1422 C GLN A 95 -24.096 0.153 -4.653 1.00 0.00 C ATOM 1423 O GLN A 95 -23.662 0.360 -3.520 1.00 0.00 O ATOM 1424 CB GLN A 95 -26.510 0.124 -5.309 1.00 0.00 C ATOM 1425 CG GLN A 95 -27.120 -0.218 -3.959 1.00 0.00 C ATOM 1426 CD GLN A 95 -27.888 -1.524 -3.979 1.00 0.00 C ATOM 1427 OE1 GLN A 95 -27.319 -2.588 -4.226 1.00 0.00 O ATOM 1428 NE2 GLN A 95 -29.188 -1.452 -3.719 1.00 0.00 N ATOM 0 H GLN A 95 -25.565 1.296 -7.259 1.00 0.00 H new ATOM 0 HA GLN A 95 -25.436 1.813 -4.531 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -27.251 0.650 -5.910 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -26.271 -0.800 -5.835 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -26.329 -0.278 -3.212 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -27.788 0.587 -3.652 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -29.619 -0.549 -3.519 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -29.756 -2.299 -3.719 1.00 0.00 H new ATOM 1437 N GLU A 96 -23.606 -0.787 -5.456 1.00 0.00 N ATOM 1438 CA GLU A 96 -22.506 -1.648 -5.041 1.00 0.00 C ATOM 1439 C GLU A 96 -21.434 -1.723 -6.125 1.00 0.00 C ATOM 1440 O GLU A 96 -21.558 -2.458 -7.105 1.00 0.00 O ATOM 1441 CB GLU A 96 -23.021 -3.053 -4.720 1.00 0.00 C ATOM 1442 CG GLU A 96 -22.115 -3.834 -3.783 1.00 0.00 C ATOM 1443 CD GLU A 96 -22.804 -5.042 -3.179 1.00 0.00 C ATOM 1444 OE1 GLU A 96 -22.927 -6.067 -3.882 1.00 0.00 O ATOM 1445 OE2 GLU A 96 -23.219 -4.963 -2.004 1.00 0.00 O ATOM 0 H GLU A 96 -23.954 -0.971 -6.397 1.00 0.00 H new ATOM 0 HA GLU A 96 -22.061 -1.218 -4.144 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -24.012 -2.974 -4.272 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -23.135 -3.610 -5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -21.229 -4.160 -4.328 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -21.773 -3.177 -2.983 1.00 0.00 H new ATOM 1452 N PRO A 97 -20.357 -0.943 -5.947 1.00 0.00 N ATOM 1453 CA PRO A 97 -19.243 -0.903 -6.899 1.00 0.00 C ATOM 1454 C PRO A 97 -18.431 -2.194 -6.897 1.00 0.00 C ATOM 1455 O PRO A 97 -18.729 -3.124 -6.147 1.00 0.00 O ATOM 1456 CB PRO A 97 -18.391 0.266 -6.398 1.00 0.00 C ATOM 1457 CG PRO A 97 -18.704 0.368 -4.945 1.00 0.00 C ATOM 1458 CD PRO A 97 -20.144 -0.042 -4.802 1.00 0.00 C ATOM 0 HA PRO A 97 -19.589 -0.787 -7.926 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -17.329 0.081 -6.562 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.638 1.189 -6.922 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -18.053 -0.281 -4.359 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.550 1.384 -4.583 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -20.326 -0.548 -3.854 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -20.812 0.818 -4.838 1.00 0.00 H new ATOM 1466 N ASP A 98 -17.406 -2.243 -7.739 1.00 0.00 N ATOM 1467 CA ASP A 98 -16.549 -3.420 -7.833 1.00 0.00 C ATOM 1468 C ASP A 98 -15.404 -3.340 -6.828 1.00 0.00 C ATOM 1469 O ASP A 98 -14.664 -2.357 -6.790 1.00 0.00 O ATOM 1470 CB ASP A 98 -15.991 -3.560 -9.250 1.00 0.00 C ATOM 1471 CG ASP A 98 -16.887 -4.394 -10.145 1.00 0.00 C ATOM 1472 OD1 ASP A 98 -17.008 -5.611 -9.893 1.00 0.00 O ATOM 1473 OD2 ASP A 98 -17.465 -3.830 -11.098 1.00 0.00 O ATOM 0 H ASP A 98 -17.147 -1.482 -8.367 1.00 0.00 H new ATOM 0 HA ASP A 98 -17.153 -4.297 -7.601 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.866 -2.570 -9.688 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.002 -4.016 -9.205 1.00 0.00 H new ATOM 1478 N LYS A 99 -15.265 -4.381 -6.014 1.00 0.00 N ATOM 1479 CA LYS A 99 -14.211 -4.430 -5.008 1.00 0.00 C ATOM 1480 C LYS A 99 -12.833 -4.355 -5.659 1.00 0.00 C ATOM 1481 O LYS A 99 -11.883 -3.839 -5.068 1.00 0.00 O ATOM 1482 CB LYS A 99 -14.326 -5.713 -4.181 1.00 0.00 C ATOM 1483 CG LYS A 99 -13.852 -6.955 -4.915 1.00 0.00 C ATOM 1484 CD LYS A 99 -14.973 -7.586 -5.724 1.00 0.00 C ATOM 1485 CE LYS A 99 -14.688 -9.050 -6.023 1.00 0.00 C ATOM 1486 NZ LYS A 99 -15.735 -9.652 -6.895 1.00 0.00 N ATOM 0 H LYS A 99 -15.869 -5.202 -6.031 1.00 0.00 H new ATOM 0 HA LYS A 99 -14.331 -3.569 -4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.745 -5.598 -3.266 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -15.365 -5.852 -3.884 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.026 -6.695 -5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.468 -7.679 -4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -15.911 -7.501 -5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -15.100 -7.040 -6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.716 -9.139 -6.508 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.630 -9.607 -5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.505 -10.650 -7.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -16.659 -9.590 -6.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -15.773 -9.137 -7.798 1.00 0.00 H new ATOM 1500 N LEU A 100 -12.732 -4.871 -6.879 1.00 0.00 N ATOM 1501 CA LEU A 100 -11.470 -4.861 -7.611 1.00 0.00 C ATOM 1502 C LEU A 100 -11.069 -3.438 -7.984 1.00 0.00 C ATOM 1503 O LEU A 100 -9.983 -2.976 -7.632 1.00 0.00 O ATOM 1504 CB LEU A 100 -11.584 -5.718 -8.873 1.00 0.00 C ATOM 1505 CG LEU A 100 -11.153 -7.179 -8.733 1.00 0.00 C ATOM 1506 CD1 LEU A 100 -9.729 -7.268 -8.209 1.00 0.00 C ATOM 1507 CD2 LEU A 100 -12.108 -7.931 -7.818 1.00 0.00 C ATOM 0 H LEU A 100 -13.508 -5.301 -7.382 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.699 -5.278 -6.964 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.620 -5.696 -9.210 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.984 -5.256 -9.657 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.185 -7.643 -9.719 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.440 -8.315 -8.116 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.054 -6.766 -8.902 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.670 -6.787 -7.232 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.786 -8.969 -7.730 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.109 -7.466 -6.832 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.114 -7.897 -8.236 1.00 0.00 H new ATOM 1519 N SER A 101 -11.952 -2.746 -8.697 1.00 0.00 N ATOM 1520 CA SER A 101 -11.689 -1.375 -9.119 1.00 0.00 C ATOM 1521 C SER A 101 -11.322 -0.500 -7.925 1.00 0.00 C ATOM 1522 O SER A 101 -10.457 0.369 -8.021 1.00 0.00 O ATOM 1523 CB SER A 101 -12.912 -0.796 -9.833 1.00 0.00 C ATOM 1524 OG SER A 101 -13.902 -0.392 -8.904 1.00 0.00 O ATOM 0 H SER A 101 -12.856 -3.112 -8.995 1.00 0.00 H new ATOM 0 HA SER A 101 -10.846 -1.389 -9.810 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.611 0.056 -10.442 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.328 -1.541 -10.511 1.00 0.00 H new ATOM 0 HG SER A 101 -14.067 -1.117 -8.265 1.00 0.00 H new ATOM 1530 N MET A 102 -11.987 -0.738 -6.799 1.00 0.00 N ATOM 1531 CA MET A 102 -11.730 0.028 -5.584 1.00 0.00 C ATOM 1532 C MET A 102 -10.368 -0.327 -4.996 1.00 0.00 C ATOM 1533 O MET A 102 -9.536 0.549 -4.758 1.00 0.00 O ATOM 1534 CB MET A 102 -12.828 -0.231 -4.551 1.00 0.00 C ATOM 1535 CG MET A 102 -14.077 0.607 -4.769 1.00 0.00 C ATOM 1536 SD MET A 102 -13.730 2.376 -4.805 1.00 0.00 S ATOM 1537 CE MET A 102 -12.766 2.562 -3.306 1.00 0.00 C ATOM 0 H MET A 102 -12.707 -1.454 -6.702 1.00 0.00 H new ATOM 0 HA MET A 102 -11.729 1.086 -5.844 1.00 0.00 H new ATOM 0 HB2 MET A 102 -13.099 -1.286 -4.578 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.434 -0.029 -3.555 1.00 0.00 H new ATOM 0 HG2 MET A 102 -14.547 0.314 -5.708 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.793 0.397 -3.975 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.819 3.596 -2.965 1.00 0.00 H new ATOM 0 HE2 MET A 102 -13.164 1.904 -2.533 1.00 0.00 H new ATOM 0 HE3 MET A 102 -11.727 2.299 -3.506 1.00 0.00 H new ATOM 1547 N VAL A 103 -10.147 -1.617 -4.762 1.00 0.00 N ATOM 1548 CA VAL A 103 -8.886 -2.087 -4.201 1.00 0.00 C ATOM 1549 C VAL A 103 -7.704 -1.634 -5.052 1.00 0.00 C ATOM 1550 O VAL A 103 -6.740 -1.067 -4.540 1.00 0.00 O ATOM 1551 CB VAL A 103 -8.862 -3.623 -4.084 1.00 0.00 C ATOM 1552 CG1 VAL A 103 -7.504 -4.100 -3.593 1.00 0.00 C ATOM 1553 CG2 VAL A 103 -9.971 -4.104 -3.161 1.00 0.00 C ATOM 0 H VAL A 103 -10.825 -2.355 -4.952 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.801 -1.653 -3.205 1.00 0.00 H new ATOM 0 HB VAL A 103 -9.034 -4.048 -5.073 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.506 -5.187 -3.517 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.732 -3.787 -4.296 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.299 -3.668 -2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.939 -5.191 -3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.833 -3.671 -2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.937 -3.795 -3.561 1.00 0.00 H new ATOM 1563 N MET A 104 -7.787 -1.890 -6.353 1.00 0.00 N ATOM 1564 CA MET A 104 -6.724 -1.506 -7.276 1.00 0.00 C ATOM 1565 C MET A 104 -6.416 -0.017 -7.161 1.00 0.00 C ATOM 1566 O MET A 104 -5.259 0.395 -7.246 1.00 0.00 O ATOM 1567 CB MET A 104 -7.120 -1.848 -8.714 1.00 0.00 C ATOM 1568 CG MET A 104 -8.230 -0.967 -9.264 1.00 0.00 C ATOM 1569 SD MET A 104 -8.428 -1.133 -11.049 1.00 0.00 S ATOM 1570 CE MET A 104 -7.198 0.030 -11.635 1.00 0.00 C ATOM 0 H MET A 104 -8.578 -2.361 -6.792 1.00 0.00 H new ATOM 0 HA MET A 104 -5.827 -2.066 -7.011 1.00 0.00 H new ATOM 0 HB2 MET A 104 -6.243 -1.757 -9.355 1.00 0.00 H new ATOM 0 HB3 MET A 104 -7.439 -2.889 -8.757 1.00 0.00 H new ATOM 0 HG2 MET A 104 -9.169 -1.223 -8.773 1.00 0.00 H new ATOM 0 HG3 MET A 104 -8.017 0.074 -9.021 1.00 0.00 H new ATOM 0 HE1 MET A 104 -7.199 0.042 -12.725 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.432 1.027 -11.261 1.00 0.00 H new ATOM 0 HE3 MET A 104 -6.214 -0.270 -11.276 1.00 0.00 H new ATOM 1580 N TYR A 105 -7.457 0.785 -6.968 1.00 0.00 N ATOM 1581 CA TYR A 105 -7.297 2.229 -6.845 1.00 0.00 C ATOM 1582 C TYR A 105 -6.692 2.597 -5.494 1.00 0.00 C ATOM 1583 O TYR A 105 -5.580 3.120 -5.420 1.00 0.00 O ATOM 1584 CB TYR A 105 -8.645 2.930 -7.021 1.00 0.00 C ATOM 1585 CG TYR A 105 -8.538 4.435 -7.116 1.00 0.00 C ATOM 1586 CD1 TYR A 105 -8.019 5.042 -8.253 1.00 0.00 C ATOM 1587 CD2 TYR A 105 -8.954 5.249 -6.070 1.00 0.00 C ATOM 1588 CE1 TYR A 105 -7.918 6.417 -8.345 1.00 0.00 C ATOM 1589 CE2 TYR A 105 -8.858 6.624 -6.154 1.00 0.00 C ATOM 1590 CZ TYR A 105 -8.340 7.204 -7.293 1.00 0.00 C ATOM 1591 OH TYR A 105 -8.241 8.574 -7.380 1.00 0.00 O ATOM 0 H TYR A 105 -8.421 0.460 -6.893 1.00 0.00 H new ATOM 0 HA TYR A 105 -6.617 2.561 -7.630 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -9.127 2.551 -7.922 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.291 2.673 -6.182 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -7.689 4.429 -9.079 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.359 4.799 -5.176 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.511 6.873 -9.235 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -9.187 7.242 -5.332 1.00 0.00 H new ATOM 0 HH TYR A 105 -7.853 8.820 -8.246 1.00 0.00 H new ATOM 1601 N LEU A 106 -7.432 2.318 -4.426 1.00 0.00 N ATOM 1602 CA LEU A 106 -6.970 2.618 -3.076 1.00 0.00 C ATOM 1603 C LEU A 106 -5.530 2.156 -2.877 1.00 0.00 C ATOM 1604 O LEU A 106 -4.707 2.880 -2.318 1.00 0.00 O ATOM 1605 CB LEU A 106 -7.880 1.948 -2.044 1.00 0.00 C ATOM 1606 CG LEU A 106 -9.376 2.228 -2.186 1.00 0.00 C ATOM 1607 CD1 LEU A 106 -10.191 1.099 -1.575 1.00 0.00 C ATOM 1608 CD2 LEU A 106 -9.734 3.557 -1.536 1.00 0.00 C ATOM 0 H LEU A 106 -8.354 1.885 -4.469 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.007 3.699 -2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.726 0.870 -2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.564 2.265 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.615 2.289 -3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.253 1.316 -1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.957 0.164 -2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.948 1.006 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.803 3.740 -1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.479 3.524 -0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -9.177 4.360 -2.018 1.00 0.00 H new ATOM 1620 N SER A 107 -5.234 0.946 -3.341 1.00 0.00 N ATOM 1621 CA SER A 107 -3.893 0.386 -3.213 1.00 0.00 C ATOM 1622 C SER A 107 -2.834 1.424 -3.575 1.00 0.00 C ATOM 1623 O SER A 107 -1.842 1.590 -2.864 1.00 0.00 O ATOM 1624 CB SER A 107 -3.744 -0.845 -4.110 1.00 0.00 C ATOM 1625 OG SER A 107 -4.543 -1.917 -3.640 1.00 0.00 O ATOM 0 H SER A 107 -5.904 0.335 -3.808 1.00 0.00 H new ATOM 0 HA SER A 107 -3.747 0.090 -2.174 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.032 -0.593 -5.130 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.699 -1.152 -4.141 1.00 0.00 H new ATOM 0 HG SER A 107 -5.474 -1.775 -3.912 1.00 0.00 H new ATOM 1631 N LYS A 108 -3.053 2.121 -4.685 1.00 0.00 N ATOM 1632 CA LYS A 108 -2.120 3.144 -5.142 1.00 0.00 C ATOM 1633 C LYS A 108 -1.722 4.069 -3.996 1.00 0.00 C ATOM 1634 O LYS A 108 -0.560 4.458 -3.875 1.00 0.00 O ATOM 1635 CB LYS A 108 -2.743 3.960 -6.277 1.00 0.00 C ATOM 1636 CG LYS A 108 -3.207 3.114 -7.450 1.00 0.00 C ATOM 1637 CD LYS A 108 -3.393 3.953 -8.704 1.00 0.00 C ATOM 1638 CE LYS A 108 -4.264 3.240 -9.727 1.00 0.00 C ATOM 1639 NZ LYS A 108 -4.272 3.948 -11.037 1.00 0.00 N ATOM 0 H LYS A 108 -3.869 1.996 -5.285 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.224 2.645 -5.510 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.592 4.521 -5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -2.015 4.689 -6.631 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.478 2.327 -7.643 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -4.147 2.623 -7.197 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.847 4.908 -8.440 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.420 4.173 -9.143 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.901 2.222 -9.867 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -5.283 3.166 -9.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -4.877 3.431 -11.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -4.642 4.911 -10.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.303 3.996 -11.411 1.00 0.00 H new ATOM 1653 N PHE A 109 -2.692 4.416 -3.158 1.00 0.00 N ATOM 1654 CA PHE A 109 -2.443 5.295 -2.021 1.00 0.00 C ATOM 1655 C PHE A 109 -1.756 4.537 -0.889 1.00 0.00 C ATOM 1656 O PHE A 109 -0.748 4.991 -0.346 1.00 0.00 O ATOM 1657 CB PHE A 109 -3.755 5.902 -1.521 1.00 0.00 C ATOM 1658 CG PHE A 109 -4.384 6.855 -2.497 1.00 0.00 C ATOM 1659 CD1 PHE A 109 -3.696 7.976 -2.933 1.00 0.00 C ATOM 1660 CD2 PHE A 109 -5.665 6.631 -2.976 1.00 0.00 C ATOM 1661 CE1 PHE A 109 -4.272 8.854 -3.831 1.00 0.00 C ATOM 1662 CE2 PHE A 109 -6.246 7.506 -3.875 1.00 0.00 C ATOM 1663 CZ PHE A 109 -5.549 8.620 -4.302 1.00 0.00 C ATOM 0 H PHE A 109 -3.659 4.102 -3.244 1.00 0.00 H new ATOM 0 HA PHE A 109 -1.783 6.097 -2.351 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -4.459 5.098 -1.305 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -3.570 6.425 -0.583 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -2.698 8.166 -2.567 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -6.215 5.763 -2.643 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -3.724 9.723 -4.164 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -7.244 7.319 -4.243 1.00 0.00 H new ATOM 0 HZ PHE A 109 -6.002 9.306 -5.002 1.00 0.00 H new ATOM 1673 N TYR A 110 -2.309 3.382 -0.537 1.00 0.00 N ATOM 1674 CA TYR A 110 -1.752 2.562 0.533 1.00 0.00 C ATOM 1675 C TYR A 110 -0.231 2.495 0.432 1.00 0.00 C ATOM 1676 O TYR A 110 0.478 2.786 1.394 1.00 0.00 O ATOM 1677 CB TYR A 110 -2.340 1.151 0.481 1.00 0.00 C ATOM 1678 CG TYR A 110 -1.597 0.153 1.340 1.00 0.00 C ATOM 1679 CD1 TYR A 110 -1.943 -0.041 2.671 1.00 0.00 C ATOM 1680 CD2 TYR A 110 -0.547 -0.594 0.820 1.00 0.00 C ATOM 1681 CE1 TYR A 110 -1.266 -0.951 3.460 1.00 0.00 C ATOM 1682 CE2 TYR A 110 0.134 -1.508 1.601 1.00 0.00 C ATOM 1683 CZ TYR A 110 -0.228 -1.682 2.920 1.00 0.00 C ATOM 1684 OH TYR A 110 0.449 -2.590 3.701 1.00 0.00 O ATOM 0 H TYR A 110 -3.143 2.992 -0.977 1.00 0.00 H new ATOM 0 HA TYR A 110 -2.015 3.023 1.485 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -3.381 1.189 0.801 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -2.336 0.803 -0.552 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -2.755 0.529 3.097 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.258 -0.458 -0.212 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -1.548 -1.089 4.493 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.946 -2.083 1.180 1.00 0.00 H new ATOM 0 HH TYR A 110 1.150 -3.021 3.169 1.00 0.00 H new ATOM 1694 N GLU A 111 0.262 2.110 -0.741 1.00 0.00 N ATOM 1695 CA GLU A 111 1.698 2.004 -0.968 1.00 0.00 C ATOM 1696 C GLU A 111 2.352 3.383 -0.968 1.00 0.00 C ATOM 1697 O GLU A 111 3.323 3.622 -0.248 1.00 0.00 O ATOM 1698 CB GLU A 111 1.976 1.295 -2.295 1.00 0.00 C ATOM 1699 CG GLU A 111 1.420 -0.117 -2.360 1.00 0.00 C ATOM 1700 CD GLU A 111 1.548 -0.732 -3.740 1.00 0.00 C ATOM 1701 OE1 GLU A 111 2.693 -0.939 -4.194 1.00 0.00 O ATOM 1702 OE2 GLU A 111 0.503 -1.006 -4.366 1.00 0.00 O ATOM 0 H GLU A 111 -0.312 1.866 -1.548 1.00 0.00 H new ATOM 0 HA GLU A 111 2.126 1.418 -0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.548 1.882 -3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.053 1.260 -2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 111 1.944 -0.743 -1.637 1.00 0.00 H new ATOM 0 HG3 GLU A 111 0.370 -0.104 -2.068 1.00 0.00 H new ATOM 1709 N LEU A 112 1.814 4.286 -1.779 1.00 0.00 N ATOM 1710 CA LEU A 112 2.344 5.642 -1.874 1.00 0.00 C ATOM 1711 C LEU A 112 2.652 6.204 -0.490 1.00 0.00 C ATOM 1712 O LEU A 112 3.735 6.740 -0.253 1.00 0.00 O ATOM 1713 CB LEU A 112 1.348 6.551 -2.597 1.00 0.00 C ATOM 1714 CG LEU A 112 1.661 8.047 -2.566 1.00 0.00 C ATOM 1715 CD1 LEU A 112 2.828 8.367 -3.487 1.00 0.00 C ATOM 1716 CD2 LEU A 112 0.433 8.856 -2.957 1.00 0.00 C ATOM 0 H LEU A 112 1.011 4.104 -2.381 1.00 0.00 H new ATOM 0 HA LEU A 112 3.272 5.604 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.287 6.234 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.362 6.397 -2.159 1.00 0.00 H new ATOM 0 HG LEU A 112 1.943 8.319 -1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.036 9.436 -3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.710 7.815 -3.162 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.575 8.080 -4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.674 9.919 -2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.121 8.580 -3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.377 8.649 -2.257 1.00 0.00 H new ATOM 1728 N PHE A 113 1.693 6.077 0.421 1.00 0.00 N ATOM 1729 CA PHE A 113 1.862 6.572 1.782 1.00 0.00 C ATOM 1730 C PHE A 113 2.833 5.692 2.564 1.00 0.00 C ATOM 1731 O PHE A 113 3.779 6.187 3.178 1.00 0.00 O ATOM 1732 CB PHE A 113 0.511 6.623 2.500 1.00 0.00 C ATOM 1733 CG PHE A 113 -0.253 7.892 2.251 1.00 0.00 C ATOM 1734 CD1 PHE A 113 0.316 9.124 2.529 1.00 0.00 C ATOM 1735 CD2 PHE A 113 -1.539 7.852 1.738 1.00 0.00 C ATOM 1736 CE1 PHE A 113 -0.385 10.293 2.302 1.00 0.00 C ATOM 1737 CE2 PHE A 113 -2.245 9.018 1.507 1.00 0.00 C ATOM 1738 CZ PHE A 113 -1.667 10.240 1.789 1.00 0.00 C ATOM 0 H PHE A 113 0.791 5.636 0.241 1.00 0.00 H new ATOM 0 HA PHE A 113 2.275 7.579 1.727 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -0.094 5.775 2.179 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.674 6.511 3.572 1.00 0.00 H new ATOM 0 HD1 PHE A 113 1.319 9.171 2.928 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.996 6.899 1.516 1.00 0.00 H new ATOM 0 HE1 PHE A 113 0.069 11.247 2.525 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -3.247 8.973 1.107 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.216 11.153 1.609 1.00 0.00 H new ATOM 1748 N ARG A 114 2.592 4.386 2.537 1.00 0.00 N ATOM 1749 CA ARG A 114 3.444 3.437 3.244 1.00 0.00 C ATOM 1750 C ARG A 114 4.918 3.766 3.030 1.00 0.00 C ATOM 1751 O ARG A 114 5.707 3.770 3.974 1.00 0.00 O ATOM 1752 CB ARG A 114 3.155 2.010 2.773 1.00 0.00 C ATOM 1753 CG ARG A 114 3.594 0.942 3.760 1.00 0.00 C ATOM 1754 CD ARG A 114 2.710 -0.292 3.677 1.00 0.00 C ATOM 1755 NE ARG A 114 3.343 -1.461 4.280 1.00 0.00 N ATOM 1756 CZ ARG A 114 4.206 -2.242 3.640 1.00 0.00 C ATOM 1757 NH1 ARG A 114 4.538 -1.979 2.383 1.00 0.00 N ATOM 1758 NH2 ARG A 114 4.741 -3.288 4.257 1.00 0.00 N ATOM 0 H ARG A 114 1.814 3.960 2.033 1.00 0.00 H new ATOM 0 HA ARG A 114 3.223 3.512 4.309 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.085 1.906 2.591 1.00 0.00 H new ATOM 0 HB3 ARG A 114 3.658 1.842 1.821 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.629 0.664 3.560 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.563 1.346 4.772 1.00 0.00 H new ATOM 0 HD2 ARG A 114 1.763 -0.094 4.179 1.00 0.00 H new ATOM 0 HD3 ARG A 114 2.479 -0.503 2.633 1.00 0.00 H new ATOM 0 HE ARG A 114 3.110 -1.691 5.246 1.00 0.00 H new ATOM 0 HH11 ARG A 114 4.130 -1.175 1.905 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.201 -2.581 1.894 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.490 -3.493 5.224 1.00 0.00 H new ATOM 0 HH22 ARG A 114 5.404 -3.887 3.764 1.00 0.00 H new