USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 510 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 58 GLN :FLIP amide:sc= 0.826 F(o=0.79,f=1.8) USER MOD Set 1.2: A 73 TYR OH : rot -138:sc= 1 USER MOD Set 2.1: A 64 THR OG1 : rot -88:sc= -1.35! USER MOD Set 2.2: A 69 LYS NZ :NH3+ 162:sc= -6.69! (180deg=-6.65!) USER MOD Set 3.1: A 39 THR OG1 : rot 180:sc= 0.0248 USER MOD Set 3.2: A 40 HIS :FLIP no HD1:sc= -5.67! C(o=-6.6!,f=-5.6!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -111:sc= 1.01 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -141:sc= -4.71! USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.686 X(o=-0.69,f=-0.95) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 23 GLN :FLIP amide:sc= -19.4! C(o=-23!,f=-19!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 165:sc= -1.26 USER MOD Single : A 27 SER OG : rot 180:sc= 0.129 USER MOD Single : A 28 THR OG1 : rot -120:sc= 0.726 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS :FLIP no HD1:sc= -5.89! C(o=-6.7!,f=-5.9!) USER MOD Single : A 36 SER OG : rot -53:sc= 0.788 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.0955! C(o=0.096!,f=-6.9!) USER MOD Single : A 49 TYR OH : rot 180:sc= -1.38 USER MOD Single : A 52 ASN : amide:sc= 1.1 K(o=1.1,f=-6.8!) USER MOD Single : A 55 ASN :FLIP amide:sc= -0.327 F(o=-1.4,f=-0.33) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.181 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N TYR A 9 16.426 5.259 -3.257 1.00 0.00 N ATOM 114 CA TYR A 9 16.656 4.028 -2.425 1.00 0.00 C ATOM 115 C TYR A 9 17.811 4.240 -1.438 1.00 0.00 C ATOM 116 O TYR A 9 18.641 5.101 -1.636 1.00 0.00 O ATOM 117 CB TYR A 9 17.031 2.882 -3.389 1.00 0.00 C ATOM 118 CG TYR A 9 16.195 3.033 -4.655 1.00 0.00 C ATOM 119 CD1 TYR A 9 14.825 2.939 -4.594 1.00 0.00 C ATOM 120 CD2 TYR A 9 16.792 3.321 -5.865 1.00 0.00 C ATOM 121 CE1 TYR A 9 14.060 3.135 -5.718 1.00 0.00 C ATOM 122 CE2 TYR A 9 16.024 3.517 -6.990 1.00 0.00 C ATOM 123 CZ TYR A 9 14.651 3.426 -6.922 1.00 0.00 C ATOM 124 OH TYR A 9 13.876 3.649 -8.040 1.00 0.00 O ATOM 0 HA TYR A 9 15.756 3.799 -1.854 1.00 0.00 H new ATOM 0 HB2 TYR A 9 18.094 2.919 -3.628 1.00 0.00 H new ATOM 0 HB3 TYR A 9 16.843 1.915 -2.922 1.00 0.00 H new ATOM 0 HD1 TYR A 9 14.346 2.709 -3.654 1.00 0.00 H new ATOM 0 HD2 TYR A 9 17.868 3.393 -5.930 1.00 0.00 H new ATOM 0 HE1 TYR A 9 12.985 3.059 -5.654 1.00 0.00 H new ATOM 0 HE2 TYR A 9 16.501 3.744 -7.932 1.00 0.00 H new ATOM 0 HH TYR A 9 14.455 3.843 -8.806 1.00 0.00 H new ATOM 134 N ARG A 10 17.838 3.448 -0.394 1.00 0.00 N ATOM 135 CA ARG A 10 18.933 3.592 0.613 1.00 0.00 C ATOM 136 C ARG A 10 19.107 2.305 1.430 1.00 0.00 C ATOM 137 O ARG A 10 20.108 1.626 1.309 1.00 0.00 O ATOM 138 CB ARG A 10 18.583 4.759 1.563 1.00 0.00 C ATOM 139 CG ARG A 10 19.669 5.836 1.433 1.00 0.00 C ATOM 140 CD ARG A 10 19.391 6.979 2.414 1.00 0.00 C ATOM 141 NE ARG A 10 20.158 8.184 1.962 1.00 0.00 N ATOM 142 CZ ARG A 10 20.648 8.999 2.832 1.00 0.00 C ATOM 143 NH1 ARG A 10 21.721 8.666 3.450 1.00 0.00 N ATOM 144 NH2 ARG A 10 20.045 10.112 3.042 1.00 0.00 N ATOM 0 H ARG A 10 17.156 2.715 -0.197 1.00 0.00 H new ATOM 0 HA ARG A 10 19.868 3.791 0.089 1.00 0.00 H new ATOM 0 HB2 ARG A 10 17.607 5.173 1.311 1.00 0.00 H new ATOM 0 HB3 ARG A 10 18.522 4.405 2.592 1.00 0.00 H new ATOM 0 HG2 ARG A 10 20.649 5.403 1.634 1.00 0.00 H new ATOM 0 HG3 ARG A 10 19.693 6.219 0.413 1.00 0.00 H new ATOM 0 HD2 ARG A 10 18.324 7.199 2.448 1.00 0.00 H new ATOM 0 HD3 ARG A 10 19.690 6.695 3.423 1.00 0.00 H new ATOM 0 HE ARG A 10 20.292 8.359 0.966 1.00 0.00 H new ATOM 0 HH11 ARG A 10 22.169 7.772 3.249 1.00 0.00 H new ATOM 0 HH12 ARG A 10 22.127 9.295 4.143 1.00 0.00 H new ATOM 0 HH21 ARG A 10 19.195 10.337 2.525 1.00 0.00 H new ATOM 0 HH22 ARG A 10 20.416 10.772 3.726 1.00 0.00 H new ATOM 158 N GLY A 11 18.121 1.990 2.238 1.00 0.00 N ATOM 159 CA GLY A 11 18.209 0.745 3.076 1.00 0.00 C ATOM 160 C GLY A 11 18.481 -0.483 2.206 1.00 0.00 C ATOM 161 O GLY A 11 18.993 -1.482 2.684 1.00 0.00 O ATOM 0 H GLY A 11 17.266 2.534 2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 11 19.003 0.855 3.815 1.00 0.00 H new ATOM 0 HA3 GLY A 11 17.278 0.606 3.626 1.00 0.00 H new ATOM 165 N THR A 12 18.126 -0.385 0.945 1.00 0.00 N ATOM 166 CA THR A 12 18.353 -1.533 0.017 1.00 0.00 C ATOM 167 C THR A 12 19.764 -2.075 0.175 1.00 0.00 C ATOM 168 O THR A 12 20.000 -3.242 -0.059 1.00 0.00 O ATOM 169 CB THR A 12 18.152 -1.031 -1.420 1.00 0.00 C ATOM 170 OG1 THR A 12 18.084 -2.189 -2.220 1.00 0.00 O ATOM 171 CG2 THR A 12 19.380 -0.272 -1.937 1.00 0.00 C ATOM 0 H THR A 12 17.692 0.436 0.524 1.00 0.00 H new ATOM 0 HA THR A 12 17.652 -2.336 0.246 1.00 0.00 H new ATOM 0 HB THR A 12 17.276 -0.383 -1.451 1.00 0.00 H new ATOM 0 HG1 THR A 12 18.879 -2.240 -2.791 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.196 0.066 -2.957 1.00 0.00 H new ATOM 0 HG22 THR A 12 19.571 0.590 -1.298 1.00 0.00 H new ATOM 0 HG23 THR A 12 20.248 -0.932 -1.924 1.00 0.00 H new ATOM 179 N MET A 13 20.674 -1.199 0.572 1.00 0.00 N ATOM 180 CA MET A 13 22.093 -1.618 0.765 1.00 0.00 C ATOM 181 C MET A 13 22.162 -3.083 1.122 1.00 0.00 C ATOM 182 O MET A 13 22.693 -3.890 0.388 1.00 0.00 O ATOM 183 CB MET A 13 22.683 -0.791 1.934 1.00 0.00 C ATOM 184 CG MET A 13 23.301 0.512 1.401 1.00 0.00 C ATOM 185 SD MET A 13 24.986 0.907 1.943 1.00 0.00 S ATOM 186 CE MET A 13 24.864 2.711 1.809 1.00 0.00 C ATOM 0 H MET A 13 20.485 -0.216 0.768 1.00 0.00 H new ATOM 0 HA MET A 13 22.653 -1.452 -0.155 1.00 0.00 H new ATOM 0 HB2 MET A 13 21.901 -0.562 2.658 1.00 0.00 H new ATOM 0 HB3 MET A 13 23.441 -1.375 2.456 1.00 0.00 H new ATOM 0 HG2 MET A 13 23.297 0.468 0.312 1.00 0.00 H new ATOM 0 HG3 MET A 13 22.650 1.338 1.689 1.00 0.00 H new ATOM 0 HE1 MET A 13 25.812 3.163 2.102 1.00 0.00 H new ATOM 0 HE2 MET A 13 24.635 2.985 0.779 1.00 0.00 H new ATOM 0 HE3 MET A 13 24.072 3.072 2.465 1.00 0.00 H new ATOM 196 N SER A 14 21.598 -3.377 2.247 1.00 0.00 N ATOM 197 CA SER A 14 21.579 -4.780 2.740 1.00 0.00 C ATOM 198 C SER A 14 21.030 -4.868 4.166 1.00 0.00 C ATOM 199 O SER A 14 21.522 -5.630 4.979 1.00 0.00 O ATOM 200 CB SER A 14 23.011 -5.333 2.716 1.00 0.00 C ATOM 201 OG SER A 14 23.776 -4.372 3.443 1.00 0.00 O ATOM 0 H SER A 14 21.142 -2.700 2.859 1.00 0.00 H new ATOM 0 HA SER A 14 20.927 -5.364 2.091 1.00 0.00 H new ATOM 0 HB2 SER A 14 23.064 -6.317 3.181 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.377 -5.442 1.695 1.00 0.00 H new ATOM 0 HG SER A 14 24.713 -4.656 3.475 1.00 0.00 H new ATOM 207 N LYS A 15 20.013 -4.089 4.438 1.00 0.00 N ATOM 208 CA LYS A 15 19.409 -4.107 5.799 1.00 0.00 C ATOM 209 C LYS A 15 17.941 -4.555 5.721 1.00 0.00 C ATOM 210 O LYS A 15 17.270 -4.289 4.749 1.00 0.00 O ATOM 211 CB LYS A 15 19.473 -2.680 6.362 1.00 0.00 C ATOM 212 CG LYS A 15 20.830 -2.476 7.049 1.00 0.00 C ATOM 213 CD LYS A 15 21.209 -0.992 6.990 1.00 0.00 C ATOM 214 CE LYS A 15 22.268 -0.706 8.053 1.00 0.00 C ATOM 215 NZ LYS A 15 21.621 -0.193 9.294 1.00 0.00 N ATOM 0 H LYS A 15 19.578 -3.445 3.777 1.00 0.00 H new ATOM 0 HA LYS A 15 19.952 -4.802 6.439 1.00 0.00 H new ATOM 0 HB2 LYS A 15 19.343 -1.953 5.561 1.00 0.00 H new ATOM 0 HB3 LYS A 15 18.663 -2.519 7.073 1.00 0.00 H new ATOM 0 HG2 LYS A 15 20.780 -2.809 8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.594 -3.078 6.557 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.591 -0.740 6.001 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.329 -0.372 7.159 1.00 0.00 H new ATOM 0 HE2 LYS A 15 22.828 -1.615 8.274 1.00 0.00 H new ATOM 0 HE3 LYS A 15 22.984 0.025 7.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 22.349 -0.001 10.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 21.106 0.685 9.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.955 -0.904 9.658 1.00 0.00 H new ATOM 229 N THR A 16 17.474 -5.233 6.744 1.00 0.00 N ATOM 230 CA THR A 16 16.057 -5.697 6.724 1.00 0.00 C ATOM 231 C THR A 16 15.126 -4.721 7.475 1.00 0.00 C ATOM 232 O THR A 16 15.425 -4.312 8.585 1.00 0.00 O ATOM 233 CB THR A 16 15.974 -7.097 7.369 1.00 0.00 C ATOM 234 OG1 THR A 16 17.304 -7.526 7.556 1.00 0.00 O ATOM 235 CG2 THR A 16 15.424 -8.119 6.383 1.00 0.00 C ATOM 0 H THR A 16 18.006 -5.480 7.578 1.00 0.00 H new ATOM 0 HA THR A 16 15.725 -5.738 5.687 1.00 0.00 H new ATOM 0 HB THR A 16 15.361 -7.031 8.268 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.370 -8.483 7.357 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.376 -9.097 6.862 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.425 -7.819 6.068 1.00 0.00 H new ATOM 0 HG23 THR A 16 16.078 -8.173 5.513 1.00 0.00 H new ATOM 243 N LYS A 17 14.004 -4.398 6.825 1.00 0.00 N ATOM 244 CA LYS A 17 12.961 -3.453 7.391 1.00 0.00 C ATOM 245 C LYS A 17 13.375 -2.823 8.724 1.00 0.00 C ATOM 246 O LYS A 17 12.707 -3.003 9.726 1.00 0.00 O ATOM 247 CB LYS A 17 11.627 -4.234 7.583 1.00 0.00 C ATOM 248 CG LYS A 17 10.496 -3.231 7.888 1.00 0.00 C ATOM 249 CD LYS A 17 9.388 -3.926 8.697 1.00 0.00 C ATOM 250 CE LYS A 17 8.398 -2.863 9.199 1.00 0.00 C ATOM 251 NZ LYS A 17 7.104 -3.498 9.608 1.00 0.00 N ATOM 0 H LYS A 17 13.769 -4.763 5.902 1.00 0.00 H new ATOM 0 HA LYS A 17 12.845 -2.636 6.679 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.392 -4.804 6.684 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.725 -4.951 8.399 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.891 -2.383 8.448 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.087 -2.836 6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.872 -4.659 8.077 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.819 -4.467 9.539 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.829 -2.327 10.044 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.217 -2.128 8.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.448 -2.764 9.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.685 -3.989 8.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.279 -4.182 10.372 1.00 0.00 H new ATOM 265 N ASN A 18 14.463 -2.074 8.696 1.00 0.00 N ATOM 266 CA ASN A 18 14.967 -1.403 9.942 1.00 0.00 C ATOM 267 C ASN A 18 16.469 -1.242 9.904 1.00 0.00 C ATOM 268 O ASN A 18 17.000 -0.154 9.938 1.00 0.00 O ATOM 269 CB ASN A 18 14.706 -2.294 11.143 1.00 0.00 C ATOM 270 CG ASN A 18 13.612 -1.690 12.022 1.00 0.00 C ATOM 271 OD1 ASN A 18 13.582 -0.507 12.275 1.00 0.00 O ATOM 272 ND2 ASN A 18 12.696 -2.468 12.508 1.00 0.00 N ATOM 0 H ASN A 18 15.022 -1.901 7.860 1.00 0.00 H new ATOM 0 HA ASN A 18 14.461 -0.440 10.008 1.00 0.00 H new ATOM 0 HB2 ASN A 18 14.407 -3.288 10.809 1.00 0.00 H new ATOM 0 HB3 ASN A 18 15.622 -2.414 11.721 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.959 -2.082 13.098 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.712 -3.467 12.301 1.00 0.00 H new ATOM 279 N GLY A 19 17.125 -2.361 9.862 1.00 0.00 N ATOM 280 CA GLY A 19 18.585 -2.351 9.824 1.00 0.00 C ATOM 281 C GLY A 19 19.182 -3.757 10.039 1.00 0.00 C ATOM 282 O GLY A 19 20.377 -3.890 10.184 1.00 0.00 O ATOM 0 H GLY A 19 16.697 -3.287 9.853 1.00 0.00 H new ATOM 0 HA2 GLY A 19 18.919 -1.959 8.863 1.00 0.00 H new ATOM 0 HA3 GLY A 19 18.962 -1.676 10.592 1.00 0.00 H new ATOM 286 N ILE A 20 18.349 -4.777 10.047 1.00 0.00 N ATOM 287 CA ILE A 20 18.881 -6.159 10.253 1.00 0.00 C ATOM 288 C ILE A 20 19.806 -6.562 9.097 1.00 0.00 C ATOM 289 O ILE A 20 19.403 -6.574 7.955 1.00 0.00 O ATOM 290 CB ILE A 20 17.680 -7.124 10.316 1.00 0.00 C ATOM 291 CG1 ILE A 20 17.044 -7.070 11.698 1.00 0.00 C ATOM 292 CG2 ILE A 20 18.150 -8.580 10.052 1.00 0.00 C ATOM 293 CD1 ILE A 20 15.855 -8.037 11.743 1.00 0.00 C ATOM 0 H ILE A 20 17.339 -4.710 9.921 1.00 0.00 H new ATOM 0 HA ILE A 20 19.459 -6.198 11.177 1.00 0.00 H new ATOM 0 HB ILE A 20 16.957 -6.823 9.557 1.00 0.00 H new ATOM 0 HG12 ILE A 20 17.776 -7.339 12.459 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.712 -6.056 11.919 1.00 0.00 H new ATOM 0 HG21 ILE A 20 17.294 -9.253 10.099 1.00 0.00 H new ATOM 0 HG22 ILE A 20 18.606 -8.642 9.064 1.00 0.00 H new ATOM 0 HG23 ILE A 20 18.880 -8.869 10.808 1.00 0.00 H new ATOM 0 HD11 ILE A 20 15.395 -8.003 12.731 1.00 0.00 H new ATOM 0 HD12 ILE A 20 15.121 -7.747 10.991 1.00 0.00 H new ATOM 0 HD13 ILE A 20 16.202 -9.050 11.539 1.00 0.00 H new ATOM 305 N THR A 21 21.038 -6.864 9.401 1.00 0.00 N ATOM 306 CA THR A 21 21.963 -7.259 8.316 1.00 0.00 C ATOM 307 C THR A 21 21.331 -8.362 7.476 1.00 0.00 C ATOM 308 O THR A 21 21.045 -9.432 7.983 1.00 0.00 O ATOM 309 CB THR A 21 23.270 -7.790 8.931 1.00 0.00 C ATOM 310 OG1 THR A 21 23.364 -7.193 10.214 1.00 0.00 O ATOM 311 CG2 THR A 21 24.486 -7.250 8.171 1.00 0.00 C ATOM 0 H THR A 21 21.435 -6.853 10.341 1.00 0.00 H new ATOM 0 HA THR A 21 22.169 -6.393 7.688 1.00 0.00 H new ATOM 0 HB THR A 21 23.260 -8.880 8.922 1.00 0.00 H new ATOM 0 HG1 THR A 21 24.183 -7.498 10.658 1.00 0.00 H new ATOM 0 HG21 THR A 21 25.399 -7.638 8.623 1.00 0.00 H new ATOM 0 HG22 THR A 21 24.434 -7.566 7.129 1.00 0.00 H new ATOM 0 HG23 THR A 21 24.491 -6.161 8.220 1.00 0.00 H new ATOM 319 N CYS A 22 21.110 -8.083 6.210 1.00 0.00 N ATOM 320 CA CYS A 22 20.492 -9.119 5.333 1.00 0.00 C ATOM 321 C CYS A 22 21.418 -10.346 5.106 1.00 0.00 C ATOM 322 O CYS A 22 21.812 -10.990 6.058 1.00 0.00 O ATOM 323 CB CYS A 22 20.072 -8.458 4.000 1.00 0.00 C ATOM 324 SG CYS A 22 18.521 -7.487 4.028 1.00 0.00 S ATOM 0 H CYS A 22 21.329 -7.196 5.757 1.00 0.00 H new ATOM 0 HA CYS A 22 19.610 -9.516 5.835 1.00 0.00 H new ATOM 0 HB2 CYS A 22 20.880 -7.803 3.674 1.00 0.00 H new ATOM 0 HB3 CYS A 22 19.972 -9.240 3.247 1.00 0.00 H new ATOM 329 N GLN A 23 21.760 -10.661 3.875 1.00 0.00 N ATOM 330 CA GLN A 23 22.659 -11.863 3.664 1.00 0.00 C ATOM 331 C GLN A 23 23.645 -11.690 2.493 1.00 0.00 C ATOM 332 O GLN A 23 24.582 -10.924 2.587 1.00 0.00 O ATOM 333 CB GLN A 23 21.732 -13.059 3.369 1.00 0.00 C ATOM 334 CG GLN A 23 20.491 -12.562 2.598 1.00 0.00 C ATOM 335 CD GLN A 23 19.467 -13.705 2.486 1.00 0.00 C ATOM 336 OE1 GLN A 23 19.292 -14.534 3.492 1.00 0.00 O flip ATOM 337 NE2 GLN A 23 18.828 -13.866 1.483 1.00 0.00 N flip ATOM 0 H GLN A 23 21.472 -10.164 3.032 1.00 0.00 H new ATOM 0 HA GLN A 23 23.268 -12.005 4.557 1.00 0.00 H new ATOM 0 HB2 GLN A 23 22.262 -13.809 2.783 1.00 0.00 H new ATOM 0 HB3 GLN A 23 21.429 -13.538 4.300 1.00 0.00 H new ATOM 0 HG2 GLN A 23 20.047 -11.710 3.113 1.00 0.00 H new ATOM 0 HG3 GLN A 23 20.780 -12.219 1.604 1.00 0.00 H new ATOM 0 HE21 GLN A 23 18.951 -13.233 0.693 1.00 0.00 H new ATOM 0 HE22 GLN A 23 18.162 -14.636 1.421 1.00 0.00 H new ATOM 346 N LYS A 24 23.443 -12.459 1.437 1.00 0.00 N ATOM 347 CA LYS A 24 24.330 -12.370 0.258 1.00 0.00 C ATOM 348 C LYS A 24 23.726 -13.186 -0.890 1.00 0.00 C ATOM 349 O LYS A 24 24.348 -13.431 -1.901 1.00 0.00 O ATOM 350 CB LYS A 24 25.674 -12.966 0.666 1.00 0.00 C ATOM 351 CG LYS A 24 25.699 -14.477 0.386 1.00 0.00 C ATOM 352 CD LYS A 24 26.398 -14.740 -0.960 1.00 0.00 C ATOM 353 CE LYS A 24 27.770 -15.372 -0.717 1.00 0.00 C ATOM 354 NZ LYS A 24 28.673 -15.083 -1.868 1.00 0.00 N ATOM 0 H LYS A 24 22.691 -13.144 1.358 1.00 0.00 H new ATOM 0 HA LYS A 24 24.449 -11.338 -0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 24 26.478 -12.475 0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 24 25.853 -12.783 1.726 1.00 0.00 H new ATOM 0 HG2 LYS A 24 26.223 -14.997 1.188 1.00 0.00 H new ATOM 0 HG3 LYS A 24 24.683 -14.870 0.363 1.00 0.00 H new ATOM 0 HD2 LYS A 24 25.787 -15.401 -1.575 1.00 0.00 H new ATOM 0 HD3 LYS A 24 26.510 -13.806 -1.511 1.00 0.00 H new ATOM 0 HE2 LYS A 24 28.203 -14.980 0.203 1.00 0.00 H new ATOM 0 HE3 LYS A 24 27.666 -16.449 -0.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 29.603 -15.515 -1.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 28.263 -15.478 -2.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 28.783 -14.054 -1.973 1.00 0.00 H new ATOM 368 N TRP A 25 22.504 -13.568 -0.683 1.00 0.00 N ATOM 369 CA TRP A 25 21.772 -14.374 -1.697 1.00 0.00 C ATOM 370 C TRP A 25 22.525 -15.674 -1.900 1.00 0.00 C ATOM 371 O TRP A 25 22.649 -16.177 -2.997 1.00 0.00 O ATOM 372 CB TRP A 25 21.672 -13.623 -3.050 1.00 0.00 C ATOM 373 CG TRP A 25 20.962 -12.244 -2.919 1.00 0.00 C ATOM 374 CD1 TRP A 25 21.347 -11.175 -3.606 1.00 0.00 C ATOM 375 CD2 TRP A 25 19.877 -11.958 -2.178 1.00 0.00 C ATOM 376 NE1 TRP A 25 20.465 -10.227 -3.264 1.00 0.00 N ATOM 377 CE2 TRP A 25 19.508 -10.630 -2.378 1.00 0.00 C ATOM 378 CE3 TRP A 25 19.123 -12.723 -1.298 1.00 0.00 C ATOM 379 CZ2 TRP A 25 18.418 -10.094 -1.722 1.00 0.00 C ATOM 380 CZ3 TRP A 25 18.043 -12.177 -0.642 1.00 0.00 C ATOM 381 CH2 TRP A 25 17.691 -10.866 -0.855 1.00 0.00 C ATOM 0 H TRP A 25 21.970 -13.354 0.159 1.00 0.00 H new ATOM 0 HA TRP A 25 20.759 -14.559 -1.341 1.00 0.00 H new ATOM 0 HB2 TRP A 25 22.674 -13.475 -3.454 1.00 0.00 H new ATOM 0 HB3 TRP A 25 21.128 -14.241 -3.765 1.00 0.00 H new ATOM 0 HD1 TRP A 25 22.182 -11.089 -4.286 1.00 0.00 H new ATOM 0 HE1 TRP A 25 20.505 -9.278 -3.636 1.00 0.00 H new ATOM 0 HE3 TRP A 25 19.386 -13.756 -1.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 18.138 -9.065 -1.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 17.469 -12.782 0.044 1.00 0.00 H new ATOM 0 HH2 TRP A 25 16.841 -10.444 -0.339 1.00 0.00 H new ATOM 392 N SER A 26 23.029 -16.179 -0.805 1.00 0.00 N ATOM 393 CA SER A 26 23.792 -17.447 -0.842 1.00 0.00 C ATOM 394 C SER A 26 22.823 -18.631 -0.976 1.00 0.00 C ATOM 395 O SER A 26 22.506 -19.020 -2.069 1.00 0.00 O ATOM 396 CB SER A 26 24.601 -17.532 0.467 1.00 0.00 C ATOM 397 OG SER A 26 25.953 -17.662 0.037 1.00 0.00 O ATOM 0 H SER A 26 22.940 -15.758 0.120 1.00 0.00 H new ATOM 0 HA SER A 26 24.467 -17.480 -1.697 1.00 0.00 H new ATOM 0 HB2 SER A 26 24.462 -16.641 1.079 1.00 0.00 H new ATOM 0 HB3 SER A 26 24.292 -18.385 1.071 1.00 0.00 H new ATOM 0 HG SER A 26 26.554 -17.482 0.790 1.00 0.00 H new ATOM 403 N SER A 27 22.366 -19.194 0.128 1.00 0.00 N ATOM 404 CA SER A 27 21.411 -20.356 0.009 1.00 0.00 C ATOM 405 C SER A 27 21.058 -20.970 1.342 1.00 0.00 C ATOM 406 O SER A 27 21.509 -20.535 2.387 1.00 0.00 O ATOM 407 CB SER A 27 22.029 -21.463 -0.874 1.00 0.00 C ATOM 408 OG SER A 27 20.903 -22.233 -1.286 1.00 0.00 O ATOM 0 H SER A 27 22.604 -18.910 1.079 1.00 0.00 H new ATOM 0 HA SER A 27 20.501 -19.954 -0.436 1.00 0.00 H new ATOM 0 HB2 SER A 27 22.562 -21.044 -1.728 1.00 0.00 H new ATOM 0 HB3 SER A 27 22.745 -22.067 -0.317 1.00 0.00 H new ATOM 0 HG SER A 27 21.202 -22.969 -1.860 1.00 0.00 H new ATOM 414 N THR A 28 20.257 -22.003 1.254 1.00 0.00 N ATOM 415 CA THR A 28 19.802 -22.730 2.462 1.00 0.00 C ATOM 416 C THR A 28 20.915 -22.907 3.496 1.00 0.00 C ATOM 417 O THR A 28 20.643 -23.111 4.660 1.00 0.00 O ATOM 418 CB THR A 28 19.310 -24.114 2.043 1.00 0.00 C ATOM 419 OG1 THR A 28 18.193 -23.888 1.191 1.00 0.00 O ATOM 420 CG2 THR A 28 18.726 -24.843 3.256 1.00 0.00 C ATOM 0 H THR A 28 19.897 -22.374 0.375 1.00 0.00 H new ATOM 0 HA THR A 28 19.010 -22.140 2.922 1.00 0.00 H new ATOM 0 HB THR A 28 20.124 -24.682 1.592 1.00 0.00 H new ATOM 0 HG1 THR A 28 17.397 -24.312 1.575 1.00 0.00 H new ATOM 0 HG21 THR A 28 18.376 -25.830 2.954 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.495 -24.949 4.021 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.891 -24.269 3.658 1.00 0.00 H new ATOM 428 N SER A 29 22.141 -22.835 3.059 1.00 0.00 N ATOM 429 CA SER A 29 23.266 -23.000 4.017 1.00 0.00 C ATOM 430 C SER A 29 24.227 -21.795 3.988 1.00 0.00 C ATOM 431 O SER A 29 24.696 -21.390 2.939 1.00 0.00 O ATOM 432 CB SER A 29 24.043 -24.254 3.616 1.00 0.00 C ATOM 433 OG SER A 29 24.965 -24.426 4.678 1.00 0.00 O ATOM 0 H SER A 29 22.410 -22.671 2.089 1.00 0.00 H new ATOM 0 HA SER A 29 22.858 -23.079 5.025 1.00 0.00 H new ATOM 0 HB2 SER A 29 23.386 -25.117 3.512 1.00 0.00 H new ATOM 0 HB3 SER A 29 24.551 -24.123 2.661 1.00 0.00 H new ATOM 0 HG SER A 29 25.515 -25.219 4.508 1.00 0.00 H new ATOM 439 N PRO A 30 24.493 -21.232 5.162 1.00 0.00 N ATOM 440 CA PRO A 30 23.895 -21.690 6.430 1.00 0.00 C ATOM 441 C PRO A 30 22.389 -21.439 6.455 1.00 0.00 C ATOM 442 O PRO A 30 21.668 -22.054 7.209 1.00 0.00 O ATOM 443 CB PRO A 30 24.587 -20.840 7.519 1.00 0.00 C ATOM 444 CG PRO A 30 25.562 -19.863 6.799 1.00 0.00 C ATOM 445 CD PRO A 30 25.446 -20.124 5.287 1.00 0.00 C ATOM 0 HA PRO A 30 24.034 -22.761 6.575 1.00 0.00 H new ATOM 0 HB2 PRO A 30 23.849 -20.287 8.100 1.00 0.00 H new ATOM 0 HB3 PRO A 30 25.129 -21.478 8.217 1.00 0.00 H new ATOM 0 HG2 PRO A 30 25.308 -18.828 7.030 1.00 0.00 H new ATOM 0 HG3 PRO A 30 26.585 -20.023 7.138 1.00 0.00 H new ATOM 0 HD2 PRO A 30 25.092 -19.238 4.760 1.00 0.00 H new ATOM 0 HD3 PRO A 30 26.413 -20.385 4.857 1.00 0.00 H new ATOM 453 N HIS A 31 21.960 -20.534 5.618 1.00 0.00 N ATOM 454 CA HIS A 31 20.507 -20.200 5.547 1.00 0.00 C ATOM 455 C HIS A 31 20.241 -19.037 4.595 1.00 0.00 C ATOM 456 O HIS A 31 20.589 -17.916 4.895 1.00 0.00 O ATOM 457 CB HIS A 31 19.988 -19.784 6.928 1.00 0.00 C ATOM 458 CG HIS A 31 18.493 -19.466 6.784 1.00 0.00 C ATOM 459 ND1 HIS A 31 17.863 -18.516 5.996 1.00 0.00 N flip ATOM 460 CD2 HIS A 31 17.568 -20.079 7.359 1.00 0.00 C flip ATOM 461 CE1 HIS A 31 16.525 -18.620 6.151 1.00 0.00 C flip ATOM 462 NE2 HIS A 31 16.431 -19.620 7.016 1.00 0.00 N flip ATOM 0 H HIS A 31 22.555 -20.009 4.977 1.00 0.00 H new ATOM 0 HA HIS A 31 19.998 -21.095 5.188 1.00 0.00 H new ATOM 0 HB2 HIS A 31 20.142 -20.584 7.652 1.00 0.00 H new ATOM 0 HB3 HIS A 31 20.531 -18.913 7.295 1.00 0.00 H new ATOM 0 HD2 HIS A 31 17.714 -20.891 8.055 1.00 0.00 H new ATOM 0 HE1 HIS A 31 15.738 -18.040 5.691 1.00 0.00 H new ATOM 0 HE2 HIS A 31 15.545 -19.982 7.368 1.00 0.00 H new ATOM 470 N ARG A 32 19.624 -19.324 3.472 1.00 0.00 N ATOM 471 CA ARG A 32 19.325 -18.243 2.489 1.00 0.00 C ATOM 472 C ARG A 32 18.445 -18.782 1.343 1.00 0.00 C ATOM 473 O ARG A 32 18.493 -19.951 1.015 1.00 0.00 O ATOM 474 CB ARG A 32 20.650 -17.696 1.920 1.00 0.00 C ATOM 475 CG ARG A 32 21.008 -16.390 2.632 1.00 0.00 C ATOM 476 CD ARG A 32 22.502 -16.370 2.947 1.00 0.00 C ATOM 477 NE ARG A 32 22.847 -17.551 3.798 1.00 0.00 N ATOM 478 CZ ARG A 32 23.540 -17.378 4.861 1.00 0.00 C ATOM 479 NH1 ARG A 32 24.737 -16.929 4.746 1.00 0.00 N ATOM 480 NH2 ARG A 32 23.007 -17.652 5.994 1.00 0.00 N ATOM 0 H ARG A 32 19.317 -20.257 3.198 1.00 0.00 H new ATOM 0 HA ARG A 32 18.782 -17.443 2.992 1.00 0.00 H new ATOM 0 HB2 ARG A 32 21.447 -18.427 2.056 1.00 0.00 H new ATOM 0 HB3 ARG A 32 20.555 -17.524 0.848 1.00 0.00 H new ATOM 0 HG2 ARG A 32 20.747 -15.538 2.004 1.00 0.00 H new ATOM 0 HG3 ARG A 32 20.431 -16.296 3.552 1.00 0.00 H new ATOM 0 HD2 ARG A 32 23.080 -16.393 2.023 1.00 0.00 H new ATOM 0 HD3 ARG A 32 22.763 -15.447 3.464 1.00 0.00 H new ATOM 0 HE ARG A 32 22.533 -18.485 3.534 1.00 0.00 H new ATOM 0 HH11 ARG A 32 25.116 -16.718 3.823 1.00 0.00 H new ATOM 0 HH12 ARG A 32 25.309 -16.783 5.578 1.00 0.00 H new ATOM 0 HH21 ARG A 32 22.049 -18.000 6.036 1.00 0.00 H new ATOM 0 HH22 ARG A 32 23.541 -17.522 6.853 1.00 0.00 H new ATOM 494 N PRO A 33 17.650 -17.900 0.767 1.00 0.00 N ATOM 495 CA PRO A 33 16.745 -18.259 -0.344 1.00 0.00 C ATOM 496 C PRO A 33 17.486 -18.596 -1.652 1.00 0.00 C ATOM 497 O PRO A 33 18.656 -18.305 -1.808 1.00 0.00 O ATOM 498 CB PRO A 33 15.889 -16.990 -0.564 1.00 0.00 C ATOM 499 CG PRO A 33 16.485 -15.862 0.326 1.00 0.00 C ATOM 500 CD PRO A 33 17.591 -16.493 1.187 1.00 0.00 C ATOM 0 HA PRO A 33 16.174 -19.152 -0.091 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.901 -16.697 -1.614 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.849 -17.179 -0.298 1.00 0.00 H new ATOM 0 HG2 PRO A 33 16.889 -15.060 -0.291 1.00 0.00 H new ATOM 0 HG3 PRO A 33 15.712 -15.421 0.956 1.00 0.00 H new ATOM 0 HD2 PRO A 33 18.547 -15.994 1.028 1.00 0.00 H new ATOM 0 HD3 PRO A 33 17.360 -16.408 2.249 1.00 0.00 H new ATOM 508 N ARG A 34 16.758 -19.200 -2.568 1.00 0.00 N ATOM 509 CA ARG A 34 17.351 -19.584 -3.887 1.00 0.00 C ATOM 510 C ARG A 34 16.817 -18.628 -4.959 1.00 0.00 C ATOM 511 O ARG A 34 16.477 -19.009 -6.066 1.00 0.00 O ATOM 512 CB ARG A 34 16.939 -21.040 -4.222 1.00 0.00 C ATOM 513 CG ARG A 34 15.545 -21.348 -3.643 1.00 0.00 C ATOM 514 CD ARG A 34 15.692 -21.900 -2.217 1.00 0.00 C ATOM 515 NE ARG A 34 16.390 -23.222 -2.279 1.00 0.00 N ATOM 516 CZ ARG A 34 15.815 -24.271 -1.801 1.00 0.00 C ATOM 517 NH1 ARG A 34 14.781 -24.740 -2.406 1.00 0.00 N ATOM 518 NH2 ARG A 34 16.296 -24.810 -0.735 1.00 0.00 N ATOM 0 H ARG A 34 15.774 -19.443 -2.454 1.00 0.00 H new ATOM 0 HA ARG A 34 18.439 -19.521 -3.850 1.00 0.00 H new ATOM 0 HB2 ARG A 34 16.931 -21.183 -5.302 1.00 0.00 H new ATOM 0 HB3 ARG A 34 17.672 -21.736 -3.813 1.00 0.00 H new ATOM 0 HG2 ARG A 34 14.936 -20.444 -3.633 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.030 -22.073 -4.273 1.00 0.00 H new ATOM 0 HD2 ARG A 34 16.259 -21.203 -1.600 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.712 -22.012 -1.753 1.00 0.00 H new ATOM 0 HE ARG A 34 17.317 -23.292 -2.698 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.431 -24.282 -3.248 1.00 0.00 H new ATOM 0 HH12 ARG A 34 14.311 -25.570 -2.044 1.00 0.00 H new ATOM 0 HH21 ARG A 34 17.117 -24.406 -0.285 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.856 -25.641 -0.340 1.00 0.00 H new ATOM 532 N PHE A 35 16.754 -17.398 -4.557 1.00 0.00 N ATOM 533 CA PHE A 35 16.263 -16.302 -5.437 1.00 0.00 C ATOM 534 C PHE A 35 17.050 -16.192 -6.754 1.00 0.00 C ATOM 535 O PHE A 35 17.982 -16.931 -6.988 1.00 0.00 O ATOM 536 CB PHE A 35 16.481 -15.010 -4.645 1.00 0.00 C ATOM 537 CG PHE A 35 15.265 -14.097 -4.744 1.00 0.00 C ATOM 538 CD1 PHE A 35 15.143 -13.210 -5.792 1.00 0.00 C ATOM 539 CD2 PHE A 35 14.319 -14.080 -3.735 1.00 0.00 C ATOM 540 CE1 PHE A 35 14.102 -12.318 -5.830 1.00 0.00 C ATOM 541 CE2 PHE A 35 13.276 -13.182 -3.775 1.00 0.00 C ATOM 542 CZ PHE A 35 13.170 -12.301 -4.818 1.00 0.00 C ATOM 0 H PHE A 35 17.031 -17.093 -3.624 1.00 0.00 H new ATOM 0 HA PHE A 35 15.223 -16.491 -5.703 1.00 0.00 H new ATOM 0 HB2 PHE A 35 16.677 -15.249 -3.600 1.00 0.00 H new ATOM 0 HB3 PHE A 35 17.362 -14.491 -5.024 1.00 0.00 H new ATOM 0 HD1 PHE A 35 15.872 -13.218 -6.589 1.00 0.00 H new ATOM 0 HD2 PHE A 35 14.399 -14.774 -2.912 1.00 0.00 H new ATOM 0 HE1 PHE A 35 14.014 -11.628 -6.656 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.541 -13.172 -2.984 1.00 0.00 H new ATOM 0 HZ PHE A 35 12.355 -11.593 -4.846 1.00 0.00 H new ATOM 552 N SER A 36 16.618 -15.244 -7.581 1.00 0.00 N ATOM 553 CA SER A 36 17.269 -14.985 -8.921 1.00 0.00 C ATOM 554 C SER A 36 16.458 -15.481 -10.159 1.00 0.00 C ATOM 555 O SER A 36 16.972 -15.437 -11.263 1.00 0.00 O ATOM 556 CB SER A 36 18.665 -15.638 -8.955 1.00 0.00 C ATOM 557 OG SER A 36 19.332 -14.970 -10.016 1.00 0.00 O ATOM 0 H SER A 36 15.828 -14.632 -7.376 1.00 0.00 H new ATOM 0 HA SER A 36 17.322 -13.900 -9.005 1.00 0.00 H new ATOM 0 HB2 SER A 36 19.190 -15.507 -8.009 1.00 0.00 H new ATOM 0 HB3 SER A 36 18.599 -16.711 -9.137 1.00 0.00 H new ATOM 0 HG SER A 36 18.782 -15.012 -10.826 1.00 0.00 H new ATOM 563 N PRO A 37 15.221 -15.955 -9.974 1.00 0.00 N ATOM 564 CA PRO A 37 14.415 -16.432 -11.113 1.00 0.00 C ATOM 565 C PRO A 37 14.052 -15.277 -12.075 1.00 0.00 C ATOM 566 O PRO A 37 13.405 -14.322 -11.691 1.00 0.00 O ATOM 567 CB PRO A 37 13.132 -17.001 -10.473 1.00 0.00 C ATOM 568 CG PRO A 37 13.265 -16.824 -8.932 1.00 0.00 C ATOM 569 CD PRO A 37 14.574 -16.086 -8.664 1.00 0.00 C ATOM 0 HA PRO A 37 14.960 -17.167 -11.705 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.252 -16.477 -10.845 1.00 0.00 H new ATOM 0 HB3 PRO A 37 13.009 -18.053 -10.730 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.420 -16.260 -8.537 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.263 -17.793 -8.434 1.00 0.00 H new ATOM 0 HD2 PRO A 37 14.390 -15.109 -8.217 1.00 0.00 H new ATOM 0 HD3 PRO A 37 15.203 -16.641 -7.969 1.00 0.00 H new ATOM 577 N ALA A 38 14.466 -15.407 -13.313 1.00 0.00 N ATOM 578 CA ALA A 38 14.167 -14.339 -14.327 1.00 0.00 C ATOM 579 C ALA A 38 12.659 -14.135 -14.547 1.00 0.00 C ATOM 580 O ALA A 38 12.254 -13.219 -15.229 1.00 0.00 O ATOM 581 CB ALA A 38 14.794 -14.769 -15.659 1.00 0.00 C ATOM 0 H ALA A 38 14.997 -16.203 -13.667 1.00 0.00 H new ATOM 0 HA ALA A 38 14.576 -13.398 -13.958 1.00 0.00 H new ATOM 0 HB1 ALA A 38 14.593 -14.012 -16.417 1.00 0.00 H new ATOM 0 HB2 ALA A 38 15.871 -14.881 -15.535 1.00 0.00 H new ATOM 0 HB3 ALA A 38 14.364 -15.720 -15.973 1.00 0.00 H new ATOM 587 N THR A 39 11.864 -14.984 -13.966 1.00 0.00 N ATOM 588 CA THR A 39 10.391 -14.853 -14.131 1.00 0.00 C ATOM 589 C THR A 39 9.841 -13.754 -13.228 1.00 0.00 C ATOM 590 O THR A 39 8.669 -13.737 -12.903 1.00 0.00 O ATOM 591 CB THR A 39 9.742 -16.188 -13.728 1.00 0.00 C ATOM 592 OG1 THR A 39 10.306 -16.513 -12.473 1.00 0.00 O ATOM 593 CG2 THR A 39 10.199 -17.325 -14.647 1.00 0.00 C ATOM 0 H THR A 39 12.169 -15.764 -13.383 1.00 0.00 H new ATOM 0 HA THR A 39 10.168 -14.600 -15.168 1.00 0.00 H new ATOM 0 HB THR A 39 8.657 -16.087 -13.753 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.930 -17.360 -12.155 1.00 0.00 H new ATOM 0 HG21 THR A 39 9.724 -18.256 -14.338 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.917 -17.098 -15.675 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.282 -17.432 -14.583 1.00 0.00 H new ATOM 601 N HIS A 40 10.701 -12.856 -12.845 1.00 0.00 N ATOM 602 CA HIS A 40 10.263 -11.737 -11.957 1.00 0.00 C ATOM 603 C HIS A 40 10.281 -10.373 -12.669 1.00 0.00 C ATOM 604 O HIS A 40 10.975 -10.179 -13.646 1.00 0.00 O ATOM 605 CB HIS A 40 11.246 -11.693 -10.784 1.00 0.00 C ATOM 606 CG HIS A 40 11.027 -12.923 -9.922 1.00 0.00 C ATOM 607 ND1 HIS A 40 10.850 -13.011 -8.571 1.00 0.00 N flip ATOM 608 CD2 HIS A 40 10.953 -14.097 -10.348 1.00 0.00 C flip ATOM 609 CE1 HIS A 40 10.665 -14.309 -8.223 1.00 0.00 C flip ATOM 610 NE2 HIS A 40 10.745 -14.915 -9.404 1.00 0.00 N flip ATOM 0 H HIS A 40 11.687 -12.845 -13.105 1.00 0.00 H new ATOM 0 HA HIS A 40 9.235 -11.917 -11.641 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.272 -11.666 -11.151 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.094 -10.787 -10.197 1.00 0.00 H new ATOM 0 HD2 HIS A 40 11.053 -14.377 -11.386 1.00 0.00 H new ATOM 0 HE1 HIS A 40 10.497 -14.737 -7.246 1.00 0.00 H new ATOM 0 HE2 HIS A 40 10.650 -15.922 -9.534 1.00 0.00 H new ATOM 618 N PRO A 41 9.493 -9.442 -12.129 1.00 0.00 N ATOM 619 CA PRO A 41 9.390 -8.082 -12.682 1.00 0.00 C ATOM 620 C PRO A 41 10.755 -7.394 -12.717 1.00 0.00 C ATOM 621 O PRO A 41 11.101 -6.722 -13.669 1.00 0.00 O ATOM 622 CB PRO A 41 8.459 -7.333 -11.699 1.00 0.00 C ATOM 623 CG PRO A 41 8.037 -8.337 -10.587 1.00 0.00 C ATOM 624 CD PRO A 41 8.654 -9.695 -10.941 1.00 0.00 C ATOM 0 HA PRO A 41 9.016 -8.092 -13.706 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.972 -6.475 -11.265 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.582 -6.949 -12.220 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.386 -7.999 -9.611 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.951 -8.412 -10.529 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.249 -10.084 -10.115 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.882 -10.434 -11.154 1.00 0.00 H new ATOM 632 N SER A 42 11.497 -7.578 -11.662 1.00 0.00 N ATOM 633 CA SER A 42 12.849 -6.959 -11.578 1.00 0.00 C ATOM 634 C SER A 42 13.808 -7.908 -10.865 1.00 0.00 C ATOM 635 O SER A 42 13.382 -8.879 -10.272 1.00 0.00 O ATOM 636 CB SER A 42 12.739 -5.641 -10.781 1.00 0.00 C ATOM 637 OG SER A 42 12.936 -6.019 -9.418 1.00 0.00 O ATOM 0 H SER A 42 11.224 -8.133 -10.851 1.00 0.00 H new ATOM 0 HA SER A 42 13.228 -6.760 -12.580 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.490 -4.920 -11.104 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.765 -5.173 -10.924 1.00 0.00 H new ATOM 0 HG SER A 42 12.881 -5.224 -8.847 1.00 0.00 H new ATOM 643 N GLU A 43 15.074 -7.612 -10.917 1.00 0.00 N ATOM 644 CA GLU A 43 16.051 -8.506 -10.240 1.00 0.00 C ATOM 645 C GLU A 43 17.138 -7.706 -9.517 1.00 0.00 C ATOM 646 O GLU A 43 18.316 -7.918 -9.722 1.00 0.00 O ATOM 647 CB GLU A 43 16.696 -9.405 -11.316 1.00 0.00 C ATOM 648 CG GLU A 43 16.752 -8.642 -12.655 1.00 0.00 C ATOM 649 CD GLU A 43 17.804 -9.269 -13.576 1.00 0.00 C ATOM 650 OE1 GLU A 43 17.907 -10.486 -13.547 1.00 0.00 O ATOM 651 OE2 GLU A 43 18.446 -8.493 -14.260 1.00 0.00 O ATOM 0 H GLU A 43 15.471 -6.801 -11.392 1.00 0.00 H new ATOM 0 HA GLU A 43 15.532 -9.103 -9.490 1.00 0.00 H new ATOM 0 HB2 GLU A 43 17.700 -9.696 -11.008 1.00 0.00 H new ATOM 0 HB3 GLU A 43 16.120 -10.323 -11.432 1.00 0.00 H new ATOM 0 HG2 GLU A 43 15.775 -8.666 -13.137 1.00 0.00 H new ATOM 0 HG3 GLU A 43 16.993 -7.594 -12.475 1.00 0.00 H new ATOM 658 N GLY A 44 16.720 -6.803 -8.668 1.00 0.00 N ATOM 659 CA GLY A 44 17.728 -5.979 -7.920 1.00 0.00 C ATOM 660 C GLY A 44 18.350 -6.795 -6.777 1.00 0.00 C ATOM 661 O GLY A 44 18.958 -6.251 -5.886 1.00 0.00 O ATOM 0 H GLY A 44 15.743 -6.599 -8.459 1.00 0.00 H new ATOM 0 HA2 GLY A 44 18.509 -5.643 -8.602 1.00 0.00 H new ATOM 0 HA3 GLY A 44 17.250 -5.086 -7.518 1.00 0.00 H new ATOM 665 N LEU A 45 18.177 -8.090 -6.834 1.00 0.00 N ATOM 666 CA LEU A 45 18.734 -8.963 -5.784 1.00 0.00 C ATOM 667 C LEU A 45 20.255 -9.052 -5.829 1.00 0.00 C ATOM 668 O LEU A 45 20.812 -10.085 -6.153 1.00 0.00 O ATOM 669 CB LEU A 45 18.160 -10.360 -6.005 1.00 0.00 C ATOM 670 CG LEU A 45 16.771 -10.486 -5.380 1.00 0.00 C ATOM 671 CD1 LEU A 45 16.863 -11.551 -4.296 1.00 0.00 C ATOM 672 CD2 LEU A 45 16.306 -9.166 -4.744 1.00 0.00 C ATOM 0 H LEU A 45 17.668 -8.575 -7.573 1.00 0.00 H new ATOM 0 HA LEU A 45 18.467 -8.545 -4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 45 18.102 -10.569 -7.073 1.00 0.00 H new ATOM 0 HB3 LEU A 45 18.827 -11.104 -5.570 1.00 0.00 H new ATOM 0 HG LEU A 45 16.050 -10.747 -6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 45 15.889 -11.673 -3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 45 17.171 -12.497 -4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.595 -11.246 -3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 45 15.314 -9.300 -4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 45 17.006 -8.872 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 45 16.267 -8.388 -5.507 1.00 0.00 H new ATOM 684 N GLU A 46 20.895 -7.977 -5.501 1.00 0.00 N ATOM 685 CA GLU A 46 22.362 -7.973 -5.512 1.00 0.00 C ATOM 686 C GLU A 46 22.874 -8.475 -4.158 1.00 0.00 C ATOM 687 O GLU A 46 22.173 -8.358 -3.170 1.00 0.00 O ATOM 688 CB GLU A 46 22.831 -6.525 -5.765 1.00 0.00 C ATOM 689 CG GLU A 46 23.460 -5.928 -4.493 1.00 0.00 C ATOM 690 CD GLU A 46 23.826 -4.457 -4.742 1.00 0.00 C ATOM 691 OE1 GLU A 46 23.981 -4.115 -5.909 1.00 0.00 O ATOM 692 OE2 GLU A 46 23.928 -3.758 -3.754 1.00 0.00 O ATOM 0 H GLU A 46 20.458 -7.098 -5.225 1.00 0.00 H new ATOM 0 HA GLU A 46 22.751 -8.626 -6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 46 23.557 -6.509 -6.578 1.00 0.00 H new ATOM 0 HB3 GLU A 46 21.986 -5.913 -6.081 1.00 0.00 H new ATOM 0 HG2 GLU A 46 22.762 -6.004 -3.660 1.00 0.00 H new ATOM 0 HG3 GLU A 46 24.350 -6.493 -4.215 1.00 0.00 H new ATOM 699 N GLU A 47 24.075 -9.025 -4.146 1.00 0.00 N ATOM 700 CA GLU A 47 24.672 -9.553 -2.862 1.00 0.00 C ATOM 701 C GLU A 47 23.597 -9.789 -1.784 1.00 0.00 C ATOM 702 O GLU A 47 23.064 -10.863 -1.665 1.00 0.00 O ATOM 703 CB GLU A 47 25.727 -8.527 -2.358 1.00 0.00 C ATOM 704 CG GLU A 47 27.137 -9.187 -2.380 1.00 0.00 C ATOM 705 CD GLU A 47 28.182 -8.194 -2.925 1.00 0.00 C ATOM 706 OE1 GLU A 47 28.025 -7.821 -4.076 1.00 0.00 O ATOM 707 OE2 GLU A 47 29.082 -7.871 -2.159 1.00 0.00 O ATOM 0 H GLU A 47 24.668 -9.131 -4.969 1.00 0.00 H new ATOM 0 HA GLU A 47 25.139 -10.518 -3.058 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.718 -7.639 -2.990 1.00 0.00 H new ATOM 0 HB3 GLU A 47 25.481 -8.201 -1.347 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.414 -9.502 -1.374 1.00 0.00 H new ATOM 0 HG3 GLU A 47 27.117 -10.083 -3.001 1.00 0.00 H new ATOM 714 N ASN A 48 23.316 -8.785 -1.031 1.00 0.00 N ATOM 715 CA ASN A 48 22.277 -8.908 0.052 1.00 0.00 C ATOM 716 C ASN A 48 21.326 -7.751 -0.067 1.00 0.00 C ATOM 717 O ASN A 48 21.234 -6.923 0.809 1.00 0.00 O ATOM 718 CB ASN A 48 22.962 -8.826 1.418 1.00 0.00 C ATOM 719 CG ASN A 48 24.302 -8.087 1.303 1.00 0.00 C ATOM 720 OD1 ASN A 48 24.462 -7.170 0.525 1.00 0.00 O ATOM 721 ND2 ASN A 48 25.285 -8.454 2.063 1.00 0.00 N ATOM 0 H ASN A 48 23.755 -7.867 -1.104 1.00 0.00 H new ATOM 0 HA ASN A 48 21.749 -9.856 -0.047 1.00 0.00 H new ATOM 0 HB2 ASN A 48 22.314 -8.309 2.126 1.00 0.00 H new ATOM 0 HB3 ASN A 48 23.126 -9.830 1.810 1.00 0.00 H new ATOM 0 HD21 ASN A 48 26.183 -7.973 2.004 1.00 0.00 H new ATOM 0 HD22 ASN A 48 25.161 -9.224 2.721 1.00 0.00 H new ATOM 728 N TYR A 49 20.618 -7.730 -1.130 1.00 0.00 N ATOM 729 CA TYR A 49 19.676 -6.648 -1.341 1.00 0.00 C ATOM 730 C TYR A 49 18.261 -6.883 -0.901 1.00 0.00 C ATOM 731 O TYR A 49 17.904 -7.861 -0.285 1.00 0.00 O ATOM 732 CB TYR A 49 19.610 -6.434 -2.849 1.00 0.00 C ATOM 733 CG TYR A 49 20.000 -5.009 -3.139 1.00 0.00 C ATOM 734 CD1 TYR A 49 21.076 -4.458 -2.493 1.00 0.00 C ATOM 735 CD2 TYR A 49 19.290 -4.253 -4.035 1.00 0.00 C ATOM 736 CE1 TYR A 49 21.441 -3.157 -2.741 1.00 0.00 C ATOM 737 CE2 TYR A 49 19.653 -2.952 -4.287 1.00 0.00 C ATOM 738 CZ TYR A 49 20.731 -2.396 -3.642 1.00 0.00 C ATOM 739 OH TYR A 49 21.111 -1.107 -3.913 1.00 0.00 O ATOM 0 H TYR A 49 20.655 -8.429 -1.872 1.00 0.00 H new ATOM 0 HA TYR A 49 20.044 -5.816 -0.740 1.00 0.00 H new ATOM 0 HB2 TYR A 49 20.281 -7.124 -3.361 1.00 0.00 H new ATOM 0 HB3 TYR A 49 18.604 -6.636 -3.218 1.00 0.00 H new ATOM 0 HD1 TYR A 49 21.639 -5.049 -1.786 1.00 0.00 H new ATOM 0 HD2 TYR A 49 18.441 -4.682 -4.546 1.00 0.00 H new ATOM 0 HE1 TYR A 49 22.289 -2.729 -2.227 1.00 0.00 H new ATOM 0 HE2 TYR A 49 19.088 -2.364 -4.995 1.00 0.00 H new ATOM 0 HH TYR A 49 20.500 -0.717 -4.572 1.00 0.00 H new ATOM 749 N CYS A 50 17.497 -5.903 -1.249 1.00 0.00 N ATOM 750 CA CYS A 50 16.080 -5.879 -0.954 1.00 0.00 C ATOM 751 C CYS A 50 15.430 -5.236 -2.118 1.00 0.00 C ATOM 752 O CYS A 50 15.868 -4.194 -2.564 1.00 0.00 O ATOM 753 CB CYS A 50 15.782 -4.990 0.227 1.00 0.00 C ATOM 754 SG CYS A 50 16.795 -5.116 1.703 1.00 0.00 S ATOM 0 H CYS A 50 17.830 -5.081 -1.752 1.00 0.00 H new ATOM 0 HA CYS A 50 15.736 -6.892 -0.746 1.00 0.00 H new ATOM 0 HB2 CYS A 50 15.835 -3.958 -0.119 1.00 0.00 H new ATOM 0 HB3 CYS A 50 14.749 -5.174 0.523 1.00 0.00 H new ATOM 759 N ARG A 51 14.423 -5.821 -2.598 1.00 0.00 N ATOM 760 CA ARG A 51 13.750 -5.194 -3.769 1.00 0.00 C ATOM 761 C ARG A 51 12.322 -5.688 -3.898 1.00 0.00 C ATOM 762 O ARG A 51 11.656 -5.873 -2.901 1.00 0.00 O ATOM 763 CB ARG A 51 14.580 -5.547 -5.029 1.00 0.00 C ATOM 764 CG ARG A 51 14.623 -4.338 -5.965 1.00 0.00 C ATOM 765 CD ARG A 51 15.602 -3.303 -5.409 1.00 0.00 C ATOM 766 NE ARG A 51 15.627 -2.138 -6.340 1.00 0.00 N ATOM 767 CZ ARG A 51 15.857 -0.965 -5.884 1.00 0.00 C ATOM 768 NH1 ARG A 51 15.102 -0.504 -4.968 1.00 0.00 N ATOM 769 NH2 ARG A 51 16.832 -0.293 -6.367 1.00 0.00 N ATOM 0 H ARG A 51 14.018 -6.694 -2.258 1.00 0.00 H new ATOM 0 HA ARG A 51 13.699 -4.112 -3.645 1.00 0.00 H new ATOM 0 HB2 ARG A 51 15.591 -5.835 -4.743 1.00 0.00 H new ATOM 0 HB3 ARG A 51 14.138 -6.402 -5.541 1.00 0.00 H new ATOM 0 HG2 ARG A 51 14.931 -4.648 -6.964 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.629 -3.901 -6.059 1.00 0.00 H new ATOM 0 HD2 ARG A 51 15.295 -2.986 -4.412 1.00 0.00 H new ATOM 0 HD3 ARG A 51 16.598 -3.735 -5.314 1.00 0.00 H new ATOM 0 HE ARG A 51 15.461 -2.276 -7.337 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.331 -1.068 -4.611 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.269 0.429 -4.591 1.00 0.00 H new ATOM 0 HH21 ARG A 51 17.412 -0.694 -7.104 1.00 0.00 H new ATOM 0 HH22 ARG A 51 17.030 0.644 -6.015 1.00 0.00 H new ATOM 783 N ASN A 52 11.845 -5.865 -5.102 1.00 0.00 N ATOM 784 CA ASN A 52 10.451 -6.351 -5.230 1.00 0.00 C ATOM 785 C ASN A 52 10.232 -7.369 -6.380 1.00 0.00 C ATOM 786 O ASN A 52 9.204 -7.346 -7.030 1.00 0.00 O ATOM 787 CB ASN A 52 9.537 -5.150 -5.500 1.00 0.00 C ATOM 788 CG ASN A 52 8.481 -5.069 -4.403 1.00 0.00 C ATOM 789 OD1 ASN A 52 8.201 -6.025 -3.726 1.00 0.00 O ATOM 790 ND2 ASN A 52 7.880 -3.944 -4.191 1.00 0.00 N ATOM 0 H ASN A 52 12.346 -5.699 -5.975 1.00 0.00 H new ATOM 0 HA ASN A 52 10.222 -6.863 -4.295 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.122 -4.231 -5.527 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.060 -5.253 -6.474 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.176 -3.872 -3.456 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.110 -3.128 -4.759 1.00 0.00 H new ATOM 797 N PRO A 53 11.178 -8.258 -6.605 1.00 0.00 N ATOM 798 CA PRO A 53 11.041 -9.240 -7.662 1.00 0.00 C ATOM 799 C PRO A 53 9.908 -10.163 -7.285 1.00 0.00 C ATOM 800 O PRO A 53 9.147 -10.615 -8.106 1.00 0.00 O ATOM 801 CB PRO A 53 12.388 -10.003 -7.656 1.00 0.00 C ATOM 802 CG PRO A 53 13.313 -9.221 -6.692 1.00 0.00 C ATOM 803 CD PRO A 53 12.383 -8.389 -5.819 1.00 0.00 C ATOM 0 HA PRO A 53 10.828 -8.814 -8.642 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.253 -11.031 -7.320 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.816 -10.048 -8.657 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.914 -9.900 -6.088 1.00 0.00 H new ATOM 0 HG3 PRO A 53 14.006 -8.586 -7.243 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.185 -8.881 -4.867 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.817 -7.415 -5.591 1.00 0.00 H new ATOM 811 N ASP A 54 9.831 -10.399 -6.019 1.00 0.00 N ATOM 812 CA ASP A 54 8.784 -11.276 -5.477 1.00 0.00 C ATOM 813 C ASP A 54 7.401 -10.600 -5.619 1.00 0.00 C ATOM 814 O ASP A 54 6.377 -11.255 -5.582 1.00 0.00 O ATOM 815 CB ASP A 54 9.142 -11.512 -3.991 1.00 0.00 C ATOM 816 CG ASP A 54 8.125 -10.825 -3.089 1.00 0.00 C ATOM 817 OD1 ASP A 54 8.258 -9.620 -2.956 1.00 0.00 O ATOM 818 OD2 ASP A 54 7.281 -11.543 -2.582 1.00 0.00 O ATOM 0 H ASP A 54 10.466 -10.011 -5.322 1.00 0.00 H new ATOM 0 HA ASP A 54 8.731 -12.223 -6.014 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.163 -12.581 -3.780 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.141 -11.127 -3.784 1.00 0.00 H new ATOM 823 N ASN A 55 7.425 -9.288 -5.783 1.00 0.00 N ATOM 824 CA ASN A 55 6.153 -8.506 -5.937 1.00 0.00 C ATOM 825 C ASN A 55 5.414 -8.318 -4.598 1.00 0.00 C ATOM 826 O ASN A 55 4.382 -8.915 -4.357 1.00 0.00 O ATOM 827 CB ASN A 55 5.237 -9.260 -6.933 1.00 0.00 C ATOM 828 CG ASN A 55 4.748 -8.298 -8.009 1.00 0.00 C ATOM 829 OD1 ASN A 55 5.620 -7.644 -8.715 1.00 0.00 O flip ATOM 830 ND2 ASN A 55 3.569 -8.137 -8.224 1.00 0.00 N flip ATOM 0 H ASN A 55 8.277 -8.728 -5.816 1.00 0.00 H new ATOM 0 HA ASN A 55 6.404 -7.512 -6.306 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.782 -10.086 -7.390 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.387 -9.693 -6.405 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.876 -8.646 -7.675 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.267 -7.492 -8.954 1.00 0.00 H new ATOM 837 N ASP A 56 5.957 -7.471 -3.767 1.00 0.00 N ATOM 838 CA ASP A 56 5.321 -7.211 -2.439 1.00 0.00 C ATOM 839 C ASP A 56 4.901 -5.724 -2.342 1.00 0.00 C ATOM 840 O ASP A 56 5.731 -4.831 -2.199 1.00 0.00 O ATOM 841 CB ASP A 56 6.339 -7.537 -1.326 1.00 0.00 C ATOM 842 CG ASP A 56 5.596 -8.063 -0.103 1.00 0.00 C ATOM 843 OD1 ASP A 56 5.061 -9.148 -0.216 1.00 0.00 O ATOM 844 OD2 ASP A 56 5.604 -7.351 0.874 1.00 0.00 O ATOM 0 H ASP A 56 6.813 -6.947 -3.948 1.00 0.00 H new ATOM 0 HA ASP A 56 4.436 -7.837 -2.326 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.055 -8.280 -1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.908 -6.645 -1.065 1.00 0.00 H new ATOM 849 N PRO A 57 3.602 -5.494 -2.433 1.00 0.00 N ATOM 850 CA PRO A 57 3.032 -4.133 -2.364 1.00 0.00 C ATOM 851 C PRO A 57 3.134 -3.472 -0.970 1.00 0.00 C ATOM 852 O PRO A 57 2.262 -2.708 -0.590 1.00 0.00 O ATOM 853 CB PRO A 57 1.538 -4.327 -2.725 1.00 0.00 C ATOM 854 CG PRO A 57 1.281 -5.858 -2.867 1.00 0.00 C ATOM 855 CD PRO A 57 2.620 -6.573 -2.634 1.00 0.00 C ATOM 0 HA PRO A 57 3.582 -3.469 -3.031 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.899 -3.902 -1.951 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.299 -3.811 -3.655 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.537 -6.191 -2.143 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.889 -6.091 -3.857 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.571 -7.228 -1.764 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.888 -7.196 -3.487 1.00 0.00 H new ATOM 863 N GLN A 58 4.179 -3.753 -0.232 1.00 0.00 N ATOM 864 CA GLN A 58 4.285 -3.119 1.112 1.00 0.00 C ATOM 865 C GLN A 58 5.736 -2.853 1.532 1.00 0.00 C ATOM 866 O GLN A 58 5.980 -2.372 2.622 1.00 0.00 O ATOM 867 CB GLN A 58 3.593 -4.021 2.162 1.00 0.00 C ATOM 868 CG GLN A 58 4.029 -5.476 1.977 1.00 0.00 C ATOM 869 CD GLN A 58 3.079 -6.392 2.763 1.00 0.00 C ATOM 870 OE1 GLN A 58 3.475 -6.902 3.891 1.00 0.00 O flip ATOM 871 NE2 GLN A 58 1.967 -6.647 2.357 1.00 0.00 N flip ATOM 0 H GLN A 58 4.942 -4.377 -0.494 1.00 0.00 H new ATOM 0 HA GLN A 58 3.789 -2.150 1.054 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.846 -3.683 3.167 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.510 -3.943 2.063 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.016 -5.740 0.920 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.053 -5.609 2.326 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.644 -6.253 1.473 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.353 -7.256 2.899 1.00 0.00 H new ATOM 880 N GLY A 59 6.679 -3.160 0.673 1.00 0.00 N ATOM 881 CA GLY A 59 8.111 -2.908 1.056 1.00 0.00 C ATOM 882 C GLY A 59 9.080 -3.858 0.335 1.00 0.00 C ATOM 883 O GLY A 59 8.742 -4.968 -0.017 1.00 0.00 O ATOM 0 H GLY A 59 6.530 -3.563 -0.252 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.373 -1.877 0.819 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.223 -3.026 2.134 1.00 0.00 H new ATOM 887 N PRO A 60 10.288 -3.372 0.112 1.00 0.00 N ATOM 888 CA PRO A 60 11.312 -4.163 -0.558 1.00 0.00 C ATOM 889 C PRO A 60 11.799 -5.254 0.395 1.00 0.00 C ATOM 890 O PRO A 60 12.600 -4.995 1.286 1.00 0.00 O ATOM 891 CB PRO A 60 12.458 -3.164 -0.845 1.00 0.00 C ATOM 892 CG PRO A 60 12.115 -1.844 -0.088 1.00 0.00 C ATOM 893 CD PRO A 60 10.694 -2.006 0.487 1.00 0.00 C ATOM 0 HA PRO A 60 10.951 -4.644 -1.467 1.00 0.00 H new ATOM 0 HB2 PRO A 60 13.413 -3.565 -0.506 1.00 0.00 H new ATOM 0 HB3 PRO A 60 12.551 -2.981 -1.916 1.00 0.00 H new ATOM 0 HG2 PRO A 60 12.834 -1.660 0.710 1.00 0.00 H new ATOM 0 HG3 PRO A 60 12.162 -0.990 -0.763 1.00 0.00 H new ATOM 0 HD2 PRO A 60 10.688 -1.875 1.569 1.00 0.00 H new ATOM 0 HD3 PRO A 60 10.013 -1.263 0.072 1.00 0.00 H new ATOM 901 N TRP A 61 11.284 -6.441 0.192 1.00 0.00 N ATOM 902 CA TRP A 61 11.679 -7.618 1.066 1.00 0.00 C ATOM 903 C TRP A 61 13.204 -7.832 1.066 1.00 0.00 C ATOM 904 O TRP A 61 13.927 -7.226 0.286 1.00 0.00 O ATOM 905 CB TRP A 61 11.075 -8.886 0.458 1.00 0.00 C ATOM 906 CG TRP A 61 11.915 -9.156 -0.750 1.00 0.00 C ATOM 907 CD1 TRP A 61 11.993 -8.307 -1.730 1.00 0.00 C ATOM 908 CD2 TRP A 61 12.787 -10.127 -0.889 1.00 0.00 C ATOM 909 NE1 TRP A 61 12.979 -8.774 -2.488 1.00 0.00 N ATOM 910 CE2 TRP A 61 13.524 -9.928 -2.033 1.00 0.00 C ATOM 911 CE3 TRP A 61 13.044 -11.235 -0.105 1.00 0.00 C ATOM 912 CZ2 TRP A 61 14.485 -10.805 -2.404 1.00 0.00 C ATOM 913 CZ3 TRP A 61 14.027 -12.130 -0.487 1.00 0.00 C ATOM 914 CH2 TRP A 61 14.744 -11.910 -1.639 1.00 0.00 C ATOM 0 H TRP A 61 10.606 -6.658 -0.538 1.00 0.00 H new ATOM 0 HA TRP A 61 11.330 -7.418 2.079 1.00 0.00 H new ATOM 0 HB2 TRP A 61 11.110 -9.719 1.160 1.00 0.00 H new ATOM 0 HB3 TRP A 61 10.029 -8.739 0.190 1.00 0.00 H new ATOM 0 HD1 TRP A 61 11.393 -7.423 -1.892 1.00 0.00 H new ATOM 0 HE1 TRP A 61 13.297 -8.306 -3.336 1.00 0.00 H new ATOM 0 HE3 TRP A 61 12.481 -11.401 0.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 15.050 -10.632 -3.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 14.231 -13.000 0.119 1.00 0.00 H new ATOM 0 HH2 TRP A 61 15.511 -12.608 -1.940 1.00 0.00 H new ATOM 925 N CYS A 62 13.647 -8.715 1.930 1.00 0.00 N ATOM 926 CA CYS A 62 15.114 -9.026 2.033 1.00 0.00 C ATOM 927 C CYS A 62 15.358 -10.104 3.073 1.00 0.00 C ATOM 928 O CYS A 62 14.900 -9.999 4.188 1.00 0.00 O ATOM 929 CB CYS A 62 15.883 -7.776 2.469 1.00 0.00 C ATOM 930 SG CYS A 62 17.689 -7.782 2.205 1.00 0.00 S ATOM 0 H CYS A 62 13.053 -9.238 2.573 1.00 0.00 H new ATOM 0 HA CYS A 62 15.454 -9.366 1.055 1.00 0.00 H new ATOM 0 HB2 CYS A 62 15.466 -6.919 1.939 1.00 0.00 H new ATOM 0 HB3 CYS A 62 15.696 -7.616 3.531 1.00 0.00 H new ATOM 935 N TYR A 63 16.063 -11.127 2.693 1.00 0.00 N ATOM 936 CA TYR A 63 16.332 -12.205 3.669 1.00 0.00 C ATOM 937 C TYR A 63 17.667 -11.957 4.357 1.00 0.00 C ATOM 938 O TYR A 63 18.316 -10.951 4.108 1.00 0.00 O ATOM 939 CB TYR A 63 16.367 -13.554 2.935 1.00 0.00 C ATOM 940 CG TYR A 63 14.953 -14.138 2.864 1.00 0.00 C ATOM 941 CD1 TYR A 63 13.916 -13.397 2.348 1.00 0.00 C ATOM 942 CD2 TYR A 63 14.699 -15.421 3.309 1.00 0.00 C ATOM 943 CE1 TYR A 63 12.646 -13.926 2.271 1.00 0.00 C ATOM 944 CE2 TYR A 63 13.427 -15.948 3.231 1.00 0.00 C ATOM 945 CZ TYR A 63 12.392 -15.202 2.712 1.00 0.00 C ATOM 946 OH TYR A 63 11.123 -15.727 2.636 1.00 0.00 O ATOM 0 H TYR A 63 16.459 -11.261 1.762 1.00 0.00 H new ATOM 0 HA TYR A 63 15.544 -12.220 4.422 1.00 0.00 H new ATOM 0 HB2 TYR A 63 16.768 -13.422 1.930 1.00 0.00 H new ATOM 0 HB3 TYR A 63 17.031 -14.245 3.455 1.00 0.00 H new ATOM 0 HD1 TYR A 63 14.099 -12.391 2.000 1.00 0.00 H new ATOM 0 HD2 TYR A 63 15.502 -16.015 3.721 1.00 0.00 H new ATOM 0 HE1 TYR A 63 11.843 -13.332 1.860 1.00 0.00 H new ATOM 0 HE2 TYR A 63 13.241 -16.953 3.579 1.00 0.00 H new ATOM 0 HH TYR A 63 11.125 -16.640 2.991 1.00 0.00 H new ATOM 956 N THR A 64 18.068 -12.851 5.217 1.00 0.00 N ATOM 957 CA THR A 64 19.363 -12.627 5.897 1.00 0.00 C ATOM 958 C THR A 64 20.129 -13.911 6.160 1.00 0.00 C ATOM 959 O THR A 64 19.637 -15.001 5.971 1.00 0.00 O ATOM 960 CB THR A 64 19.132 -11.892 7.216 1.00 0.00 C ATOM 961 OG1 THR A 64 19.214 -12.890 8.234 1.00 0.00 O ATOM 962 CG2 THR A 64 17.701 -11.325 7.299 1.00 0.00 C ATOM 0 H THR A 64 17.568 -13.703 5.471 1.00 0.00 H new ATOM 0 HA THR A 64 19.972 -12.025 5.223 1.00 0.00 H new ATOM 0 HB THR A 64 19.852 -11.079 7.313 1.00 0.00 H new ATOM 0 HG1 THR A 64 18.331 -13.295 8.367 1.00 0.00 H new ATOM 0 HG21 THR A 64 17.569 -10.808 8.249 1.00 0.00 H new ATOM 0 HG22 THR A 64 17.539 -10.625 6.480 1.00 0.00 H new ATOM 0 HG23 THR A 64 16.982 -12.141 7.227 1.00 0.00 H new ATOM 970 N THR A 65 21.328 -13.727 6.592 1.00 0.00 N ATOM 971 CA THR A 65 22.226 -14.872 6.898 1.00 0.00 C ATOM 972 C THR A 65 21.713 -15.808 7.998 1.00 0.00 C ATOM 973 O THR A 65 22.367 -16.796 8.288 1.00 0.00 O ATOM 974 CB THR A 65 23.563 -14.280 7.367 1.00 0.00 C ATOM 975 OG1 THR A 65 23.267 -12.946 7.748 1.00 0.00 O ATOM 976 CG2 THR A 65 24.538 -14.129 6.197 1.00 0.00 C ATOM 0 H THR A 65 21.743 -12.809 6.753 1.00 0.00 H new ATOM 0 HA THR A 65 22.301 -15.475 5.993 1.00 0.00 H new ATOM 0 HB THR A 65 23.992 -14.913 8.144 1.00 0.00 H new ATOM 0 HG1 THR A 65 24.085 -12.506 8.062 1.00 0.00 H new ATOM 0 HG21 THR A 65 25.476 -13.708 6.557 1.00 0.00 H new ATOM 0 HG22 THR A 65 24.726 -15.106 5.752 1.00 0.00 H new ATOM 0 HG23 THR A 65 24.107 -13.466 5.447 1.00 0.00 H new ATOM 984 N ASP A 66 20.574 -15.525 8.582 1.00 0.00 N ATOM 985 CA ASP A 66 20.097 -16.446 9.652 1.00 0.00 C ATOM 986 C ASP A 66 18.578 -16.726 9.622 1.00 0.00 C ATOM 987 O ASP A 66 17.779 -15.857 9.368 1.00 0.00 O ATOM 988 CB ASP A 66 20.411 -15.770 10.978 1.00 0.00 C ATOM 989 CG ASP A 66 21.591 -16.463 11.658 1.00 0.00 C ATOM 990 OD1 ASP A 66 21.321 -17.415 12.377 1.00 0.00 O ATOM 991 OD2 ASP A 66 22.691 -15.998 11.427 1.00 0.00 O ATOM 0 H ASP A 66 19.975 -14.726 8.373 1.00 0.00 H new ATOM 0 HA ASP A 66 20.594 -17.405 9.506 1.00 0.00 H new ATOM 0 HB2 ASP A 66 20.644 -14.718 10.812 1.00 0.00 H new ATOM 0 HB3 ASP A 66 19.536 -15.804 11.628 1.00 0.00 H new ATOM 996 N PRO A 67 18.238 -17.974 9.907 1.00 0.00 N ATOM 997 CA PRO A 67 16.844 -18.444 9.935 1.00 0.00 C ATOM 998 C PRO A 67 15.964 -17.580 10.854 1.00 0.00 C ATOM 999 O PRO A 67 14.949 -17.069 10.424 1.00 0.00 O ATOM 1000 CB PRO A 67 16.934 -19.885 10.497 1.00 0.00 C ATOM 1001 CG PRO A 67 18.439 -20.169 10.786 1.00 0.00 C ATOM 1002 CD PRO A 67 19.235 -18.994 10.197 1.00 0.00 C ATOM 0 HA PRO A 67 16.389 -18.393 8.946 1.00 0.00 H new ATOM 0 HB2 PRO A 67 16.342 -19.982 11.407 1.00 0.00 H new ATOM 0 HB3 PRO A 67 16.537 -20.604 9.780 1.00 0.00 H new ATOM 0 HG2 PRO A 67 18.617 -20.257 11.858 1.00 0.00 H new ATOM 0 HG3 PRO A 67 18.748 -21.111 10.333 1.00 0.00 H new ATOM 0 HD2 PRO A 67 19.980 -18.628 10.903 1.00 0.00 H new ATOM 0 HD3 PRO A 67 19.770 -19.292 9.295 1.00 0.00 H new ATOM 1010 N GLU A 68 16.357 -17.442 12.105 1.00 0.00 N ATOM 1011 CA GLU A 68 15.534 -16.606 13.045 1.00 0.00 C ATOM 1012 C GLU A 68 15.217 -15.266 12.387 1.00 0.00 C ATOM 1013 O GLU A 68 14.093 -14.803 12.385 1.00 0.00 O ATOM 1014 CB GLU A 68 16.367 -16.350 14.318 1.00 0.00 C ATOM 1015 CG GLU A 68 16.513 -17.661 15.108 1.00 0.00 C ATOM 1016 CD GLU A 68 16.579 -17.349 16.609 1.00 0.00 C ATOM 1017 OE1 GLU A 68 15.532 -17.022 17.139 1.00 0.00 O ATOM 1018 OE2 GLU A 68 17.674 -17.459 17.140 1.00 0.00 O ATOM 0 H GLU A 68 17.194 -17.863 12.508 1.00 0.00 H new ATOM 0 HA GLU A 68 14.605 -17.121 13.289 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.350 -15.963 14.050 1.00 0.00 H new ATOM 0 HB3 GLU A 68 15.884 -15.593 14.935 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.670 -18.320 14.899 1.00 0.00 H new ATOM 0 HG3 GLU A 68 17.414 -18.188 14.795 1.00 0.00 H new ATOM 1025 N LYS A 69 16.236 -14.693 11.840 1.00 0.00 N ATOM 1026 CA LYS A 69 16.117 -13.389 11.153 1.00 0.00 C ATOM 1027 C LYS A 69 16.201 -13.635 9.665 1.00 0.00 C ATOM 1028 O LYS A 69 16.804 -12.890 8.955 1.00 0.00 O ATOM 1029 CB LYS A 69 17.327 -12.541 11.564 1.00 0.00 C ATOM 1030 CG LYS A 69 18.612 -13.341 11.256 1.00 0.00 C ATOM 1031 CD LYS A 69 19.835 -12.550 11.758 1.00 0.00 C ATOM 1032 CE LYS A 69 20.581 -11.949 10.566 1.00 0.00 C ATOM 1033 NZ LYS A 69 19.683 -11.027 9.820 1.00 0.00 N ATOM 0 H LYS A 69 17.178 -15.085 11.839 1.00 0.00 H new ATOM 0 HA LYS A 69 15.181 -12.892 11.408 1.00 0.00 H new ATOM 0 HB2 LYS A 69 17.330 -11.596 11.021 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.277 -12.298 12.625 1.00 0.00 H new ATOM 0 HG2 LYS A 69 18.572 -14.317 11.740 1.00 0.00 H new ATOM 0 HG3 LYS A 69 18.695 -13.520 10.184 1.00 0.00 H new ATOM 0 HD2 LYS A 69 19.516 -11.759 12.437 1.00 0.00 H new ATOM 0 HD3 LYS A 69 20.498 -13.206 12.322 1.00 0.00 H new ATOM 0 HE2 LYS A 69 21.463 -11.411 10.912 1.00 0.00 H new ATOM 0 HE3 LYS A 69 20.930 -12.743 9.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 20.253 -10.401 9.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 19.032 -11.581 9.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 19.136 -10.454 10.494 1.00 0.00 H new ATOM 1047 N ARG A 70 15.587 -14.686 9.229 1.00 0.00 N ATOM 1048 CA ARG A 70 15.622 -15.011 7.782 1.00 0.00 C ATOM 1049 C ARG A 70 15.253 -13.850 6.864 1.00 0.00 C ATOM 1050 O ARG A 70 15.798 -13.760 5.793 1.00 0.00 O ATOM 1051 CB ARG A 70 14.654 -16.153 7.516 1.00 0.00 C ATOM 1052 CG ARG A 70 13.245 -15.591 7.382 1.00 0.00 C ATOM 1053 CD ARG A 70 12.318 -16.726 6.968 1.00 0.00 C ATOM 1054 NE ARG A 70 11.981 -17.531 8.182 1.00 0.00 N ATOM 1055 CZ ARG A 70 11.900 -18.811 8.096 1.00 0.00 C ATOM 1056 NH1 ARG A 70 10.948 -19.322 7.396 1.00 0.00 N ATOM 1057 NH2 ARG A 70 12.772 -19.526 8.710 1.00 0.00 N ATOM 0 H ARG A 70 15.060 -15.338 9.810 1.00 0.00 H new ATOM 0 HA ARG A 70 16.655 -15.273 7.554 1.00 0.00 H new ATOM 0 HB2 ARG A 70 14.936 -16.681 6.605 1.00 0.00 H new ATOM 0 HB3 ARG A 70 14.694 -16.877 8.330 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.917 -15.158 8.327 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.223 -14.792 6.640 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.411 -16.327 6.514 1.00 0.00 H new ATOM 0 HD3 ARG A 70 12.800 -17.354 6.219 1.00 0.00 H new ATOM 0 HE ARG A 70 11.816 -17.066 9.075 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.279 -18.714 6.924 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.863 -20.335 7.313 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.510 -19.076 9.252 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.727 -20.544 8.656 1.00 0.00 H new ATOM 1071 N TYR A 71 14.339 -12.981 7.262 1.00 0.00 N ATOM 1072 CA TYR A 71 14.007 -11.866 6.335 1.00 0.00 C ATOM 1073 C TYR A 71 13.063 -10.783 6.892 1.00 0.00 C ATOM 1074 O TYR A 71 12.604 -10.816 8.015 1.00 0.00 O ATOM 1075 CB TYR A 71 13.313 -12.485 5.089 1.00 0.00 C ATOM 1076 CG TYR A 71 11.796 -12.574 5.325 1.00 0.00 C ATOM 1077 CD1 TYR A 71 11.293 -12.970 6.550 1.00 0.00 C ATOM 1078 CD2 TYR A 71 10.913 -12.246 4.318 1.00 0.00 C ATOM 1079 CE1 TYR A 71 9.932 -13.034 6.759 1.00 0.00 C ATOM 1080 CE2 TYR A 71 9.551 -12.312 4.531 1.00 0.00 C ATOM 1081 CZ TYR A 71 9.052 -12.704 5.752 1.00 0.00 C ATOM 1082 OH TYR A 71 7.692 -12.759 5.965 1.00 0.00 O ATOM 0 H TYR A 71 13.835 -13.000 8.149 1.00 0.00 H new ATOM 0 HA TYR A 71 14.952 -11.363 6.128 1.00 0.00 H new ATOM 0 HB2 TYR A 71 13.518 -11.877 4.208 1.00 0.00 H new ATOM 0 HB3 TYR A 71 13.718 -13.478 4.892 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.971 -13.231 7.349 1.00 0.00 H new ATOM 0 HD2 TYR A 71 11.290 -11.935 3.355 1.00 0.00 H new ATOM 0 HE1 TYR A 71 9.552 -13.346 7.721 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.871 -12.054 3.733 1.00 0.00 H new ATOM 0 HH TYR A 71 7.222 -12.492 5.148 1.00 0.00 H new ATOM 1092 N ASP A 72 12.822 -9.865 6.000 1.00 0.00 N ATOM 1093 CA ASP A 72 11.945 -8.670 6.212 1.00 0.00 C ATOM 1094 C ASP A 72 12.272 -7.704 5.063 1.00 0.00 C ATOM 1095 O ASP A 72 13.134 -8.004 4.263 1.00 0.00 O ATOM 1096 CB ASP A 72 12.239 -7.978 7.579 1.00 0.00 C ATOM 1097 CG ASP A 72 10.962 -7.276 8.093 1.00 0.00 C ATOM 1098 OD1 ASP A 72 10.120 -6.985 7.254 1.00 0.00 O ATOM 1099 OD2 ASP A 72 10.909 -7.061 9.294 1.00 0.00 O ATOM 0 H ASP A 72 13.227 -9.897 5.064 1.00 0.00 H new ATOM 0 HA ASP A 72 10.895 -8.962 6.226 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.577 -8.716 8.306 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.044 -7.252 7.464 1.00 0.00 H new ATOM 1104 N TYR A 73 11.604 -6.595 4.966 1.00 0.00 N ATOM 1105 CA TYR A 73 11.941 -5.664 3.835 1.00 0.00 C ATOM 1106 C TYR A 73 13.254 -4.992 4.078 1.00 0.00 C ATOM 1107 O TYR A 73 14.183 -5.608 4.515 1.00 0.00 O ATOM 1108 CB TYR A 73 10.830 -4.607 3.706 1.00 0.00 C ATOM 1109 CG TYR A 73 9.503 -5.328 3.676 1.00 0.00 C ATOM 1110 CD1 TYR A 73 9.138 -6.045 2.566 1.00 0.00 C ATOM 1111 CD2 TYR A 73 8.676 -5.318 4.772 1.00 0.00 C ATOM 1112 CE1 TYR A 73 7.971 -6.746 2.546 1.00 0.00 C ATOM 1113 CE2 TYR A 73 7.500 -6.024 4.751 1.00 0.00 C ATOM 1114 CZ TYR A 73 7.143 -6.743 3.636 1.00 0.00 C ATOM 1115 OH TYR A 73 5.960 -7.452 3.613 1.00 0.00 O ATOM 0 H TYR A 73 10.860 -6.289 5.593 1.00 0.00 H new ATOM 0 HA TYR A 73 12.016 -6.238 2.912 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.867 -3.911 4.544 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.966 -4.020 2.798 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.782 -6.054 1.699 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.951 -4.754 5.651 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.697 -7.308 1.665 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.852 -6.015 5.615 1.00 0.00 H new ATOM 0 HH TYR A 73 5.250 -6.918 4.027 1.00 0.00 H new ATOM 1125 N CYS A 74 13.334 -3.768 3.726 1.00 0.00 N ATOM 1126 CA CYS A 74 14.612 -3.037 3.948 1.00 0.00 C ATOM 1127 C CYS A 74 14.382 -1.748 4.683 1.00 0.00 C ATOM 1128 O CYS A 74 13.289 -1.224 4.703 1.00 0.00 O ATOM 1129 CB CYS A 74 15.237 -2.678 2.613 1.00 0.00 C ATOM 1130 SG CYS A 74 16.946 -3.207 2.324 1.00 0.00 S ATOM 0 H CYS A 74 12.584 -3.228 3.295 1.00 0.00 H new ATOM 0 HA CYS A 74 15.260 -3.690 4.532 1.00 0.00 H new ATOM 0 HB2 CYS A 74 14.615 -3.102 1.825 1.00 0.00 H new ATOM 0 HB3 CYS A 74 15.196 -1.594 2.502 1.00 0.00 H new ATOM 1135 N ASP A 75 15.422 -1.258 5.268 1.00 0.00 N ATOM 1136 CA ASP A 75 15.313 -0.005 6.006 1.00 0.00 C ATOM 1137 C ASP A 75 15.403 1.159 4.991 1.00 0.00 C ATOM 1138 O ASP A 75 16.246 2.029 5.080 1.00 0.00 O ATOM 1139 CB ASP A 75 16.484 0.031 7.025 1.00 0.00 C ATOM 1140 CG ASP A 75 16.550 1.396 7.705 1.00 0.00 C ATOM 1141 OD1 ASP A 75 15.492 1.860 8.084 1.00 0.00 O ATOM 1142 OD2 ASP A 75 17.663 1.892 7.812 1.00 0.00 O ATOM 0 H ASP A 75 16.350 -1.682 5.262 1.00 0.00 H new ATOM 0 HA ASP A 75 14.369 0.084 6.544 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.349 -0.750 7.773 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.425 -0.175 6.516 1.00 0.00 H new ATOM 1147 N ILE A 76 14.520 1.108 4.009 1.00 0.00 N ATOM 1148 CA ILE A 76 14.485 2.159 2.951 1.00 0.00 C ATOM 1149 C ILE A 76 13.428 3.203 3.289 1.00 0.00 C ATOM 1150 O ILE A 76 12.450 2.910 3.947 1.00 0.00 O ATOM 1151 CB ILE A 76 14.109 1.480 1.612 1.00 0.00 C ATOM 1152 CG1 ILE A 76 15.372 0.976 0.904 1.00 0.00 C ATOM 1153 CG2 ILE A 76 13.403 2.518 0.693 1.00 0.00 C ATOM 1154 CD1 ILE A 76 15.001 0.440 -0.478 1.00 0.00 C ATOM 0 H ILE A 76 13.821 0.373 3.903 1.00 0.00 H new ATOM 0 HA ILE A 76 15.457 2.647 2.881 1.00 0.00 H new ATOM 0 HB ILE A 76 13.446 0.639 1.815 1.00 0.00 H new ATOM 0 HG12 ILE A 76 16.096 1.785 0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 76 15.845 0.192 1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 76 13.136 2.045 -0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 76 12.501 2.884 1.183 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.077 3.353 0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 76 15.898 0.081 -0.982 1.00 0.00 H new ATOM 0 HD12 ILE A 76 14.292 -0.381 -0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 76 14.547 1.237 -1.068 1.00 0.00 H new ATOM 1166 N LEU A 77 13.634 4.401 2.826 1.00 0.00 N ATOM 1167 CA LEU A 77 12.648 5.471 3.112 1.00 0.00 C ATOM 1168 C LEU A 77 11.302 5.139 2.457 1.00 0.00 C ATOM 1169 O LEU A 77 11.057 5.497 1.313 1.00 0.00 O ATOM 1170 CB LEU A 77 13.197 6.795 2.535 1.00 0.00 C ATOM 1171 CG LEU A 77 14.660 6.980 2.985 1.00 0.00 C ATOM 1172 CD1 LEU A 77 15.219 8.279 2.392 1.00 0.00 C ATOM 1173 CD2 LEU A 77 14.708 7.065 4.513 1.00 0.00 C ATOM 0 H LEU A 77 14.438 4.683 2.265 1.00 0.00 H new ATOM 0 HA LEU A 77 12.494 5.559 4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 77 13.138 6.783 1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 77 12.590 7.633 2.878 1.00 0.00 H new ATOM 0 HG LEU A 77 15.257 6.135 2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 77 16.253 8.409 2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 77 15.178 8.229 1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 77 14.624 9.123 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.740 7.196 4.838 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.111 7.913 4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 77 14.307 6.147 4.941 1.00 0.00 H new