USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 434 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 45 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 30 ASN : amide:sc= -3.44! C(o=-6.5!,f=-6.8!) USER MOD Set 2.2: A 41 MET CE :methyl -111:sc= -3.06! (180deg=-6.09!) USER MOD Single : A 12 MET CE :methyl 171:sc= -2.06! (180deg=-2.45!) USER MOD Single : A 13 ASN : amide:sc= -1.31! C(o=-1.3!,f=-4.8!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -160:sc=-0.00476 (180deg=-0.475) USER MOD Single : A 28 GLN : amide:sc= -0.0425 K(o=-0.042,f=-1.1) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 34 HIS :FLIP no HE2:sc= -3.92! C(o=-5.2!,f=-3.9!) USER MOD Single : A 35 ASN : amide:sc= -3.05! C(o=-3!,f=-11!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 80:sc= -1.01 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 147 N MET A 12 -2.191 4.936 -5.653 1.00 0.00 N ATOM 148 CA MET A 12 -2.817 4.105 -4.631 1.00 0.00 C ATOM 149 C MET A 12 -3.365 4.962 -3.494 1.00 0.00 C ATOM 150 O MET A 12 -2.824 6.024 -3.189 1.00 0.00 O ATOM 151 CB MET A 12 -1.813 3.090 -4.082 1.00 0.00 C ATOM 152 CG MET A 12 -0.753 2.678 -5.090 1.00 0.00 C ATOM 153 SD MET A 12 0.038 1.114 -4.666 1.00 0.00 S ATOM 154 CE MET A 12 0.704 1.498 -3.049 1.00 0.00 C ATOM 0 HA MET A 12 -3.647 3.570 -5.092 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.324 3.513 -3.205 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.351 2.202 -3.749 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.208 2.595 -6.077 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.005 3.459 -5.154 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.083 0.587 -2.586 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.516 2.218 -3.151 1.00 0.00 H new ATOM 0 HE3 MET A 12 -0.081 1.923 -2.424 1.00 0.00 H new ATOM 164 N ASN A 13 -4.442 4.493 -2.872 1.00 0.00 N ATOM 165 CA ASN A 13 -5.063 5.218 -1.769 1.00 0.00 C ATOM 166 C ASN A 13 -4.580 4.681 -0.425 1.00 0.00 C ATOM 167 O ASN A 13 -3.684 3.840 -0.367 1.00 0.00 O ATOM 168 CB ASN A 13 -6.587 5.111 -1.856 1.00 0.00 C ATOM 169 CG ASN A 13 -7.074 4.927 -3.280 1.00 0.00 C ATOM 170 OD1 ASN A 13 -6.355 5.220 -4.236 1.00 0.00 O ATOM 171 ND2 ASN A 13 -8.301 4.441 -3.428 1.00 0.00 N ATOM 0 H ASN A 13 -4.902 3.615 -3.113 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.774 6.266 -1.846 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.925 4.272 -1.248 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.036 6.010 -1.435 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -8.683 4.297 -4.363 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.861 4.212 -2.607 1.00 0.00 H new ATOM 178 N ALA A 14 -5.181 5.174 0.653 1.00 0.00 N ATOM 179 CA ALA A 14 -4.815 4.742 1.996 1.00 0.00 C ATOM 180 C ALA A 14 -4.947 3.231 2.142 1.00 0.00 C ATOM 181 O ALA A 14 -4.085 2.575 2.729 1.00 0.00 O ATOM 182 CB ALA A 14 -5.675 5.452 3.032 1.00 0.00 C ATOM 0 H ALA A 14 -5.923 5.873 0.622 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.771 5.007 2.164 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.391 5.120 4.030 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.526 6.529 2.952 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.725 5.217 2.857 1.00 0.00 H new ATOM 188 N PHE A 15 -6.033 2.682 1.606 1.00 0.00 N ATOM 189 CA PHE A 15 -6.279 1.246 1.679 1.00 0.00 C ATOM 190 C PHE A 15 -5.278 0.479 0.820 1.00 0.00 C ATOM 191 O PHE A 15 -4.660 -0.482 1.277 1.00 0.00 O ATOM 192 CB PHE A 15 -7.705 0.928 1.227 1.00 0.00 C ATOM 193 CG PHE A 15 -7.904 -0.508 0.835 1.00 0.00 C ATOM 194 CD1 PHE A 15 -7.610 -0.937 -0.449 1.00 0.00 C ATOM 195 CD2 PHE A 15 -8.386 -1.429 1.751 1.00 0.00 C ATOM 196 CE1 PHE A 15 -7.793 -2.258 -0.812 1.00 0.00 C ATOM 197 CE2 PHE A 15 -8.570 -2.752 1.394 1.00 0.00 C ATOM 198 CZ PHE A 15 -8.272 -3.167 0.111 1.00 0.00 C ATOM 0 H PHE A 15 -6.756 3.210 1.117 1.00 0.00 H new ATOM 0 HA PHE A 15 -6.156 0.934 2.716 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.396 1.175 2.032 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.960 1.566 0.381 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.234 -0.231 -1.175 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.621 -1.110 2.756 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.562 -2.579 -1.817 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.946 -3.460 2.118 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.413 -4.200 -0.170 1.00 0.00 H new ATOM 208 N MET A 16 -5.125 0.911 -0.428 1.00 0.00 N ATOM 209 CA MET A 16 -4.199 0.265 -1.351 1.00 0.00 C ATOM 210 C MET A 16 -2.785 0.245 -0.779 1.00 0.00 C ATOM 211 O MET A 16 -2.150 -0.806 -0.704 1.00 0.00 O ATOM 212 CB MET A 16 -4.205 0.986 -2.701 1.00 0.00 C ATOM 213 CG MET A 16 -5.517 0.849 -3.457 1.00 0.00 C ATOM 214 SD MET A 16 -5.592 -0.653 -4.450 1.00 0.00 S ATOM 215 CE MET A 16 -4.773 -0.111 -5.948 1.00 0.00 C ATOM 0 H MET A 16 -5.630 1.705 -0.823 1.00 0.00 H new ATOM 0 HA MET A 16 -4.528 -0.764 -1.495 1.00 0.00 H new ATOM 0 HB2 MET A 16 -3.997 2.044 -2.540 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.397 0.592 -3.318 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.343 0.852 -2.746 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.651 1.715 -4.105 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.741 -0.933 -6.663 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.322 0.725 -6.381 1.00 0.00 H new ATOM 0 HE3 MET A 16 -3.757 0.205 -5.713 1.00 0.00 H new ATOM 225 N VAL A 17 -2.298 1.415 -0.376 1.00 0.00 N ATOM 226 CA VAL A 17 -0.960 1.531 0.190 1.00 0.00 C ATOM 227 C VAL A 17 -0.747 0.518 1.309 1.00 0.00 C ATOM 228 O VAL A 17 0.120 -0.352 1.216 1.00 0.00 O ATOM 229 CB VAL A 17 -0.704 2.947 0.740 1.00 0.00 C ATOM 230 CG1 VAL A 17 0.678 3.034 1.369 1.00 0.00 C ATOM 231 CG2 VAL A 17 -0.863 3.983 -0.363 1.00 0.00 C ATOM 0 H VAL A 17 -2.810 2.295 -0.431 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.256 1.330 -0.618 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.443 3.157 1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.841 4.041 1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.751 2.318 2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.434 2.804 0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.679 4.978 0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.148 3.778 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.876 3.936 -0.763 1.00 0.00 H new ATOM 241 N TRP A 18 -1.542 0.635 2.366 1.00 0.00 N ATOM 242 CA TRP A 18 -1.441 -0.271 3.504 1.00 0.00 C ATOM 243 C TRP A 18 -1.585 -1.722 3.058 1.00 0.00 C ATOM 244 O TRP A 18 -1.068 -2.634 3.703 1.00 0.00 O ATOM 245 CB TRP A 18 -2.510 0.063 4.545 1.00 0.00 C ATOM 246 CG TRP A 18 -2.847 -1.089 5.442 1.00 0.00 C ATOM 247 CD1 TRP A 18 -2.344 -1.332 6.689 1.00 0.00 C ATOM 248 CD2 TRP A 18 -3.759 -2.157 5.160 1.00 0.00 C ATOM 249 NE1 TRP A 18 -2.889 -2.486 7.199 1.00 0.00 N ATOM 250 CE2 TRP A 18 -3.760 -3.010 6.281 1.00 0.00 C ATOM 251 CE3 TRP A 18 -4.575 -2.473 4.071 1.00 0.00 C ATOM 252 CZ2 TRP A 18 -4.546 -4.158 6.341 1.00 0.00 C ATOM 253 CZ3 TRP A 18 -5.354 -3.613 4.132 1.00 0.00 C ATOM 254 CH2 TRP A 18 -5.336 -4.444 5.260 1.00 0.00 C ATOM 0 H TRP A 18 -2.264 1.349 2.459 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.456 -0.143 3.952 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.165 0.899 5.154 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.414 0.392 4.034 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.624 -0.709 7.199 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.679 -2.887 8.113 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.597 -1.838 3.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.533 -4.800 7.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -5.988 -3.868 3.295 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -5.957 -5.327 5.277 1.00 0.00 H new ATOM 265 N ALA A 19 -2.290 -1.930 1.951 1.00 0.00 N ATOM 266 CA ALA A 19 -2.500 -3.270 1.418 1.00 0.00 C ATOM 267 C ALA A 19 -1.229 -3.807 0.767 1.00 0.00 C ATOM 268 O ALA A 19 -0.879 -4.975 0.934 1.00 0.00 O ATOM 269 CB ALA A 19 -3.647 -3.268 0.419 1.00 0.00 C ATOM 0 H ALA A 19 -2.726 -1.187 1.405 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.758 -3.928 2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.792 -4.276 0.029 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.560 -2.935 0.914 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.412 -2.592 -0.403 1.00 0.00 H new ATOM 275 N LYS A 20 -0.542 -2.946 0.023 1.00 0.00 N ATOM 276 CA LYS A 20 0.690 -3.332 -0.653 1.00 0.00 C ATOM 277 C LYS A 20 1.482 -4.330 0.186 1.00 0.00 C ATOM 278 O LYS A 20 2.139 -5.222 -0.350 1.00 0.00 O ATOM 279 CB LYS A 20 1.547 -2.098 -0.940 1.00 0.00 C ATOM 280 CG LYS A 20 2.433 -1.688 0.223 1.00 0.00 C ATOM 281 CD LYS A 20 2.792 -0.213 0.159 1.00 0.00 C ATOM 282 CE LYS A 20 3.792 0.069 -0.953 1.00 0.00 C ATOM 283 NZ LYS A 20 4.669 1.228 -0.629 1.00 0.00 N ATOM 0 H LYS A 20 -0.818 -1.976 -0.127 1.00 0.00 H new ATOM 0 HA LYS A 20 0.423 -3.809 -1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.173 -2.295 -1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.894 -1.265 -1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.922 -1.898 1.162 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.344 -2.286 0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.889 0.376 -0.004 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.210 0.103 1.115 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.406 -0.815 -1.122 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.256 0.267 -1.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.336 1.388 -1.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.085 2.078 -0.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.199 1.029 0.243 1.00 0.00 H new ATOM 297 N ASP A 21 1.413 -4.173 1.503 1.00 0.00 N ATOM 298 CA ASP A 21 2.122 -5.062 2.417 1.00 0.00 C ATOM 299 C ASP A 21 1.232 -6.225 2.843 1.00 0.00 C ATOM 300 O ASP A 21 1.546 -7.387 2.585 1.00 0.00 O ATOM 301 CB ASP A 21 2.597 -4.290 3.648 1.00 0.00 C ATOM 302 CG ASP A 21 3.586 -5.080 4.482 1.00 0.00 C ATOM 303 OD1 ASP A 21 4.566 -5.597 3.908 1.00 0.00 O ATOM 304 OD2 ASP A 21 3.378 -5.183 5.710 1.00 0.00 O ATOM 0 H ASP A 21 0.874 -3.439 1.962 1.00 0.00 H new ATOM 0 HA ASP A 21 2.989 -5.464 1.893 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.059 -3.355 3.331 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.736 -4.027 4.263 1.00 0.00 H new ATOM 309 N GLU A 22 0.120 -5.904 3.498 1.00 0.00 N ATOM 310 CA GLU A 22 -0.814 -6.923 3.962 1.00 0.00 C ATOM 311 C GLU A 22 -1.022 -7.996 2.897 1.00 0.00 C ATOM 312 O GLU A 22 -0.802 -9.182 3.144 1.00 0.00 O ATOM 313 CB GLU A 22 -2.156 -6.287 4.330 1.00 0.00 C ATOM 314 CG GLU A 22 -2.852 -6.966 5.497 1.00 0.00 C ATOM 315 CD GLU A 22 -3.813 -8.052 5.052 1.00 0.00 C ATOM 316 OE1 GLU A 22 -3.400 -8.919 4.254 1.00 0.00 O ATOM 317 OE2 GLU A 22 -4.978 -8.034 5.501 1.00 0.00 O ATOM 0 H GLU A 22 -0.155 -4.947 3.719 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.388 -7.393 4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.996 -5.237 4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.812 -6.315 3.460 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.103 -7.399 6.160 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.396 -6.219 6.075 1.00 0.00 H new ATOM 324 N ARG A 23 -1.447 -7.570 1.712 1.00 0.00 N ATOM 325 CA ARG A 23 -1.686 -8.493 0.609 1.00 0.00 C ATOM 326 C ARG A 23 -0.577 -9.538 0.524 1.00 0.00 C ATOM 327 O ARG A 23 -0.844 -10.734 0.403 1.00 0.00 O ATOM 328 CB ARG A 23 -1.784 -7.728 -0.712 1.00 0.00 C ATOM 329 CG ARG A 23 -2.186 -8.599 -1.892 1.00 0.00 C ATOM 330 CD ARG A 23 -2.142 -7.822 -3.198 1.00 0.00 C ATOM 331 NE ARG A 23 -3.385 -7.094 -3.444 1.00 0.00 N ATOM 332 CZ ARG A 23 -3.524 -6.177 -4.394 1.00 0.00 C ATOM 333 NH1 ARG A 23 -2.503 -5.877 -5.185 1.00 0.00 N ATOM 334 NH2 ARG A 23 -4.686 -5.558 -4.556 1.00 0.00 N ATOM 0 H ARG A 23 -1.633 -6.592 1.491 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.630 -9.005 0.795 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.510 -6.922 -0.602 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.821 -7.263 -0.925 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.518 -9.458 -1.956 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.192 -8.988 -1.733 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.309 -7.119 -3.174 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.955 -8.510 -4.023 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.190 -7.302 -2.853 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.608 -6.351 -5.064 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.613 -5.172 -5.914 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.474 -5.786 -3.950 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.791 -4.854 -5.286 1.00 0.00 H new ATOM 348 N LYS A 24 0.667 -9.078 0.587 1.00 0.00 N ATOM 349 CA LYS A 24 1.818 -9.971 0.518 1.00 0.00 C ATOM 350 C LYS A 24 1.604 -11.203 1.391 1.00 0.00 C ATOM 351 O LYS A 24 1.894 -12.326 0.979 1.00 0.00 O ATOM 352 CB LYS A 24 3.087 -9.236 0.956 1.00 0.00 C ATOM 353 CG LYS A 24 3.336 -7.946 0.195 1.00 0.00 C ATOM 354 CD LYS A 24 4.807 -7.564 0.212 1.00 0.00 C ATOM 355 CE LYS A 24 5.547 -8.140 -0.985 1.00 0.00 C ATOM 356 NZ LYS A 24 6.145 -9.469 -0.680 1.00 0.00 N ATOM 0 H LYS A 24 0.905 -8.091 0.686 1.00 0.00 H new ATOM 0 HA LYS A 24 1.933 -10.296 -0.516 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.018 -9.012 2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.944 -9.897 0.824 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.001 -8.060 -0.836 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.745 -7.143 0.635 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.902 -6.478 0.211 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.267 -7.924 1.133 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.860 -8.235 -1.825 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.333 -7.450 -1.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.901 -9.675 -1.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.541 -9.459 0.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.411 -10.203 -0.744 1.00 0.00 H new ATOM 370 N ARG A 25 1.093 -10.985 2.599 1.00 0.00 N ATOM 371 CA ARG A 25 0.840 -12.078 3.530 1.00 0.00 C ATOM 372 C ARG A 25 -0.271 -12.987 3.012 1.00 0.00 C ATOM 373 O ARG A 25 -0.261 -14.195 3.250 1.00 0.00 O ATOM 374 CB ARG A 25 0.463 -11.527 4.906 1.00 0.00 C ATOM 375 CG ARG A 25 -1.032 -11.324 5.092 1.00 0.00 C ATOM 376 CD ARG A 25 -1.324 -10.254 6.133 1.00 0.00 C ATOM 377 NE ARG A 25 -0.933 -10.676 7.475 1.00 0.00 N ATOM 378 CZ ARG A 25 0.235 -10.371 8.030 1.00 0.00 C ATOM 379 NH1 ARG A 25 1.121 -9.646 7.362 1.00 0.00 N ATOM 380 NH2 ARG A 25 0.518 -10.791 9.257 1.00 0.00 N ATOM 0 H ARG A 25 0.846 -10.062 2.955 1.00 0.00 H new ATOM 0 HA ARG A 25 1.754 -12.665 3.619 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.827 -12.210 5.674 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.972 -10.575 5.059 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.483 -11.040 4.141 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.493 -12.264 5.396 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.793 -9.339 5.871 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.388 -10.019 6.123 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.592 -11.235 8.016 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.907 -9.321 6.419 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.017 -9.413 7.791 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.161 -11.348 9.775 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.415 -10.556 9.682 1.00 0.00 H new ATOM 394 N LEU A 26 -1.228 -12.398 2.304 1.00 0.00 N ATOM 395 CA LEU A 26 -2.347 -13.154 1.752 1.00 0.00 C ATOM 396 C LEU A 26 -1.873 -14.116 0.667 1.00 0.00 C ATOM 397 O LEU A 26 -2.315 -15.262 0.604 1.00 0.00 O ATOM 398 CB LEU A 26 -3.399 -12.202 1.181 1.00 0.00 C ATOM 399 CG LEU A 26 -3.836 -11.057 2.095 1.00 0.00 C ATOM 400 CD1 LEU A 26 -5.015 -10.310 1.491 1.00 0.00 C ATOM 401 CD2 LEU A 26 -4.188 -11.584 3.479 1.00 0.00 C ATOM 0 H LEU A 26 -1.252 -11.399 2.098 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.792 -13.737 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.009 -11.774 0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.281 -12.785 0.915 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.004 -10.360 2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.311 -9.499 2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.728 -9.899 0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.852 -10.996 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.497 -10.755 4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.003 -12.303 3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.316 -12.072 3.915 1.00 0.00 H new ATOM 413 N ALA A 27 -0.968 -13.641 -0.182 1.00 0.00 N ATOM 414 CA ALA A 27 -0.430 -14.460 -1.262 1.00 0.00 C ATOM 415 C ALA A 27 0.247 -15.713 -0.715 1.00 0.00 C ATOM 416 O ALA A 27 -0.038 -16.825 -1.156 1.00 0.00 O ATOM 417 CB ALA A 27 0.549 -13.652 -2.100 1.00 0.00 C ATOM 0 H ALA A 27 -0.592 -12.694 -0.143 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.260 -14.774 -1.895 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.943 -14.276 -2.902 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.037 -12.791 -2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.370 -13.309 -1.471 1.00 0.00 H new ATOM 423 N GLN A 28 1.144 -15.523 0.247 1.00 0.00 N ATOM 424 CA GLN A 28 1.863 -16.638 0.852 1.00 0.00 C ATOM 425 C GLN A 28 0.910 -17.542 1.628 1.00 0.00 C ATOM 426 O GLN A 28 1.129 -18.749 1.728 1.00 0.00 O ATOM 427 CB GLN A 28 2.963 -16.121 1.779 1.00 0.00 C ATOM 428 CG GLN A 28 2.451 -15.206 2.880 1.00 0.00 C ATOM 429 CD GLN A 28 3.400 -15.124 4.059 1.00 0.00 C ATOM 430 OE1 GLN A 28 4.536 -15.592 3.990 1.00 0.00 O ATOM 431 NE2 GLN A 28 2.937 -14.526 5.151 1.00 0.00 N ATOM 0 H GLN A 28 1.390 -14.608 0.624 1.00 0.00 H new ATOM 0 HA GLN A 28 2.318 -17.221 0.052 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.474 -16.971 2.232 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.703 -15.584 1.186 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.295 -14.207 2.474 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.481 -15.565 3.224 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.988 -14.152 5.164 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.530 -14.441 5.976 1.00 0.00 H new ATOM 440 N GLN A 29 -0.146 -16.949 2.175 1.00 0.00 N ATOM 441 CA GLN A 29 -1.131 -17.702 2.943 1.00 0.00 C ATOM 442 C GLN A 29 -2.087 -18.449 2.019 1.00 0.00 C ATOM 443 O GLN A 29 -2.598 -19.512 2.368 1.00 0.00 O ATOM 444 CB GLN A 29 -1.918 -16.764 3.861 1.00 0.00 C ATOM 445 CG GLN A 29 -1.293 -16.593 5.236 1.00 0.00 C ATOM 446 CD GLN A 29 -2.306 -16.195 6.292 1.00 0.00 C ATOM 447 OE1 GLN A 29 -3.314 -16.875 6.489 1.00 0.00 O ATOM 448 NE2 GLN A 29 -2.043 -15.089 6.978 1.00 0.00 N ATOM 0 H GLN A 29 -0.342 -15.951 2.101 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.599 -18.433 3.552 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.000 -15.787 3.384 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.931 -17.148 3.977 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.813 -17.526 5.531 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.511 -15.835 5.184 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.196 -14.556 6.781 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.688 -14.772 7.702 1.00 0.00 H new ATOM 457 N ASN A 30 -2.324 -17.884 0.840 1.00 0.00 N ATOM 458 CA ASN A 30 -3.219 -18.497 -0.135 1.00 0.00 C ATOM 459 C ASN A 30 -2.606 -18.468 -1.531 1.00 0.00 C ATOM 460 O ASN A 30 -2.890 -17.588 -2.343 1.00 0.00 O ATOM 461 CB ASN A 30 -4.568 -17.775 -0.143 1.00 0.00 C ATOM 462 CG ASN A 30 -5.243 -17.793 1.215 1.00 0.00 C ATOM 463 OD1 ASN A 30 -5.591 -18.855 1.733 1.00 0.00 O ATOM 464 ND2 ASN A 30 -5.430 -16.615 1.799 1.00 0.00 N ATOM 0 H ASN A 30 -1.909 -17.003 0.536 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.372 -19.537 0.153 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.422 -16.742 -0.459 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.223 -18.244 -0.877 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.878 -16.565 2.714 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.125 -15.761 1.333 1.00 0.00 H new ATOM 471 N PRO A 31 -1.744 -19.455 -1.819 1.00 0.00 N ATOM 472 CA PRO A 31 -1.073 -19.566 -3.117 1.00 0.00 C ATOM 473 C PRO A 31 -2.035 -19.948 -4.237 1.00 0.00 C ATOM 474 O PRO A 31 -1.661 -19.971 -5.409 1.00 0.00 O ATOM 475 CB PRO A 31 -0.046 -20.678 -2.892 1.00 0.00 C ATOM 476 CG PRO A 31 -0.612 -21.498 -1.784 1.00 0.00 C ATOM 477 CD PRO A 31 -1.358 -20.538 -0.899 1.00 0.00 C ATOM 0 HA PRO A 31 -0.634 -18.619 -3.431 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.096 -21.274 -3.793 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.928 -20.269 -2.624 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.277 -22.270 -2.170 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.178 -22.005 -1.231 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.230 -21.007 -0.442 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.731 -20.171 -0.086 1.00 0.00 H new ATOM 485 N ASP A 32 -3.275 -20.248 -3.867 1.00 0.00 N ATOM 486 CA ASP A 32 -4.293 -20.628 -4.841 1.00 0.00 C ATOM 487 C ASP A 32 -5.312 -19.508 -5.026 1.00 0.00 C ATOM 488 O ASP A 32 -6.050 -19.483 -6.012 1.00 0.00 O ATOM 489 CB ASP A 32 -5.000 -21.910 -4.397 1.00 0.00 C ATOM 490 CG ASP A 32 -4.323 -23.157 -4.930 1.00 0.00 C ATOM 491 OD1 ASP A 32 -3.203 -23.465 -4.472 1.00 0.00 O ATOM 492 OD2 ASP A 32 -4.913 -23.825 -5.805 1.00 0.00 O ATOM 0 H ASP A 32 -3.600 -20.236 -2.900 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.799 -20.807 -5.796 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.024 -21.950 -3.308 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.035 -21.888 -4.738 1.00 0.00 H new ATOM 497 N LEU A 33 -5.349 -18.584 -4.073 1.00 0.00 N ATOM 498 CA LEU A 33 -6.279 -17.462 -4.130 1.00 0.00 C ATOM 499 C LEU A 33 -5.697 -16.314 -4.950 1.00 0.00 C ATOM 500 O LEU A 33 -4.480 -16.187 -5.083 1.00 0.00 O ATOM 501 CB LEU A 33 -6.612 -16.977 -2.718 1.00 0.00 C ATOM 502 CG LEU A 33 -7.497 -17.903 -1.882 1.00 0.00 C ATOM 503 CD1 LEU A 33 -7.854 -17.247 -0.557 1.00 0.00 C ATOM 504 CD2 LEU A 33 -8.757 -18.274 -2.652 1.00 0.00 C ATOM 0 H LEU A 33 -4.745 -18.590 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.193 -17.804 -4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.677 -16.817 -2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.105 -16.008 -2.795 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.940 -18.816 -1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.484 -17.920 0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.942 -17.032 -0.000 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.392 -16.318 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.375 -18.933 -2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.317 -17.370 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.482 -18.785 -3.575 1.00 0.00 H new ATOM 516 N HIS A 34 -6.576 -15.479 -5.496 1.00 0.00 N ATOM 517 CA HIS A 34 -6.149 -14.340 -6.300 1.00 0.00 C ATOM 518 C HIS A 34 -6.591 -13.027 -5.660 1.00 0.00 C ATOM 519 O HIS A 34 -7.361 -13.022 -4.700 1.00 0.00 O ATOM 520 CB HIS A 34 -6.718 -14.446 -7.716 1.00 0.00 C ATOM 521 CG HIS A 34 -8.203 -14.633 -7.752 1.00 0.00 C ATOM 522 ND1 HIS A 34 -8.963 -15.733 -7.539 1.00 0.00 N flip ATOM 523 CD2 HIS A 34 -9.083 -13.611 -8.037 1.00 0.00 C flip ATOM 524 CE1 HIS A 34 -10.275 -15.359 -7.697 1.00 0.00 C flip ATOM 525 NE2 HIS A 34 -10.320 -14.073 -7.996 1.00 0.00 N flip ATOM 0 H HIS A 34 -7.587 -15.570 -5.396 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.060 -14.351 -6.351 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.460 -13.544 -8.271 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.242 -15.282 -8.228 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -8.624 -16.666 -7.305 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.805 -12.591 -8.259 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.130 -16.010 -7.594 1.00 0.00 H new ATOM 534 N ASN A 35 -6.097 -11.916 -6.198 1.00 0.00 N ATOM 535 CA ASN A 35 -6.440 -10.598 -5.678 1.00 0.00 C ATOM 536 C ASN A 35 -7.877 -10.571 -5.166 1.00 0.00 C ATOM 537 O ASN A 35 -8.116 -10.488 -3.962 1.00 0.00 O ATOM 538 CB ASN A 35 -6.253 -9.534 -6.762 1.00 0.00 C ATOM 539 CG ASN A 35 -5.894 -8.178 -6.187 1.00 0.00 C ATOM 540 OD1 ASN A 35 -4.722 -7.880 -5.956 1.00 0.00 O ATOM 541 ND2 ASN A 35 -6.905 -7.349 -5.952 1.00 0.00 N ATOM 0 H ASN A 35 -5.458 -11.903 -6.993 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.772 -10.380 -4.845 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.469 -9.853 -7.449 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.171 -9.447 -7.344 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.725 -6.423 -5.565 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.861 -7.639 -6.159 1.00 0.00 H new ATOM 548 N ALA A 36 -8.830 -10.644 -6.090 1.00 0.00 N ATOM 549 CA ALA A 36 -10.243 -10.631 -5.732 1.00 0.00 C ATOM 550 C ALA A 36 -10.479 -11.340 -4.403 1.00 0.00 C ATOM 551 O ALA A 36 -11.293 -10.901 -3.592 1.00 0.00 O ATOM 552 CB ALA A 36 -11.071 -11.277 -6.832 1.00 0.00 C ATOM 0 H ALA A 36 -8.649 -10.713 -7.091 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.555 -9.593 -5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.124 -11.261 -6.552 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.934 -10.725 -7.762 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.749 -12.309 -6.972 1.00 0.00 H new ATOM 558 N GLU A 37 -9.763 -12.440 -4.188 1.00 0.00 N ATOM 559 CA GLU A 37 -9.897 -13.210 -2.958 1.00 0.00 C ATOM 560 C GLU A 37 -9.127 -12.552 -1.817 1.00 0.00 C ATOM 561 O GLU A 37 -9.623 -12.451 -0.694 1.00 0.00 O ATOM 562 CB GLU A 37 -9.396 -14.640 -3.168 1.00 0.00 C ATOM 563 CG GLU A 37 -10.286 -15.470 -4.078 1.00 0.00 C ATOM 564 CD GLU A 37 -11.356 -16.227 -3.315 1.00 0.00 C ATOM 565 OE1 GLU A 37 -11.269 -16.283 -2.070 1.00 0.00 O ATOM 566 OE2 GLU A 37 -12.280 -16.762 -3.962 1.00 0.00 O ATOM 0 H GLU A 37 -9.085 -12.817 -4.850 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.953 -13.238 -2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.391 -14.606 -3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.319 -15.135 -2.200 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.761 -14.817 -4.810 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.671 -16.178 -4.634 1.00 0.00 H new ATOM 573 N LEU A 38 -7.911 -12.105 -2.112 1.00 0.00 N ATOM 574 CA LEU A 38 -7.070 -11.456 -1.112 1.00 0.00 C ATOM 575 C LEU A 38 -7.769 -10.235 -0.523 1.00 0.00 C ATOM 576 O LEU A 38 -7.833 -10.073 0.696 1.00 0.00 O ATOM 577 CB LEU A 38 -5.733 -11.044 -1.731 1.00 0.00 C ATOM 578 CG LEU A 38 -5.073 -12.072 -2.650 1.00 0.00 C ATOM 579 CD1 LEU A 38 -3.709 -11.580 -3.109 1.00 0.00 C ATOM 580 CD2 LEU A 38 -4.948 -13.415 -1.945 1.00 0.00 C ATOM 0 H LEU A 38 -7.485 -12.180 -3.036 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.886 -12.169 -0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.886 -10.125 -2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.039 -10.809 -0.924 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.704 -12.203 -3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.254 -12.325 -3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.824 -10.642 -3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.069 -11.420 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.476 -14.135 -2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.339 -13.300 -1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.939 -13.774 -1.667 1.00 0.00 H new ATOM 592 N SER A 39 -8.293 -9.381 -1.395 1.00 0.00 N ATOM 593 CA SER A 39 -8.986 -8.173 -0.961 1.00 0.00 C ATOM 594 C SER A 39 -9.926 -8.475 0.202 1.00 0.00 C ATOM 595 O SER A 39 -9.843 -7.853 1.261 1.00 0.00 O ATOM 596 CB SER A 39 -9.773 -7.566 -2.124 1.00 0.00 C ATOM 597 OG SER A 39 -9.796 -6.151 -2.039 1.00 0.00 O ATOM 0 H SER A 39 -8.251 -9.503 -2.407 1.00 0.00 H new ATOM 0 HA SER A 39 -8.238 -7.455 -0.624 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.324 -7.870 -3.069 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.793 -7.951 -2.118 1.00 0.00 H new ATOM 0 HG SER A 39 -10.303 -5.786 -2.794 1.00 0.00 H new ATOM 603 N LYS A 40 -10.821 -9.436 -0.003 1.00 0.00 N ATOM 604 CA LYS A 40 -11.777 -9.823 1.027 1.00 0.00 C ATOM 605 C LYS A 40 -11.142 -9.760 2.412 1.00 0.00 C ATOM 606 O LYS A 40 -11.818 -9.489 3.403 1.00 0.00 O ATOM 607 CB LYS A 40 -12.302 -11.236 0.759 1.00 0.00 C ATOM 608 CG LYS A 40 -13.191 -11.332 -0.469 1.00 0.00 C ATOM 609 CD LYS A 40 -14.657 -11.153 -0.112 1.00 0.00 C ATOM 610 CE LYS A 40 -15.567 -11.760 -1.169 1.00 0.00 C ATOM 611 NZ LYS A 40 -15.894 -13.181 -0.869 1.00 0.00 N ATOM 0 H LYS A 40 -10.904 -9.961 -0.874 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.609 -9.120 0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.456 -11.912 0.638 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.861 -11.578 1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.896 -10.572 -1.193 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.048 -12.301 -0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.857 -11.619 0.853 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.879 -10.091 -0.005 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -16.488 -11.181 -1.231 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.084 -11.696 -2.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -16.516 -13.559 -1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -15.017 -13.739 -0.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -16.378 -13.239 0.050 1.00 0.00 H new ATOM 625 N MET A 41 -9.838 -10.011 2.471 1.00 0.00 N ATOM 626 CA MET A 41 -9.111 -9.979 3.735 1.00 0.00 C ATOM 627 C MET A 41 -8.474 -8.611 3.962 1.00 0.00 C ATOM 628 O MET A 41 -8.394 -8.133 5.094 1.00 0.00 O ATOM 629 CB MET A 41 -8.034 -11.065 3.756 1.00 0.00 C ATOM 630 CG MET A 41 -8.531 -12.423 3.285 1.00 0.00 C ATOM 631 SD MET A 41 -7.191 -13.600 3.022 1.00 0.00 S ATOM 632 CE MET A 41 -7.373 -13.935 1.272 1.00 0.00 C ATOM 0 H MET A 41 -9.264 -10.239 1.659 1.00 0.00 H new ATOM 0 HA MET A 41 -9.822 -10.167 4.539 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.202 -10.753 3.125 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.646 -11.161 4.770 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.225 -12.827 4.022 1.00 0.00 H new ATOM 0 HG3 MET A 41 -9.088 -12.300 2.356 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.721 -14.959 1.132 1.00 0.00 H new ATOM 0 HE2 MET A 41 -8.098 -13.243 0.843 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.411 -13.807 0.775 1.00 0.00 H new ATOM 642 N LEU A 42 -8.023 -7.987 2.880 1.00 0.00 N ATOM 643 CA LEU A 42 -7.393 -6.674 2.961 1.00 0.00 C ATOM 644 C LEU A 42 -8.390 -5.620 3.431 1.00 0.00 C ATOM 645 O LEU A 42 -8.005 -4.583 3.970 1.00 0.00 O ATOM 646 CB LEU A 42 -6.818 -6.277 1.600 1.00 0.00 C ATOM 647 CG LEU A 42 -5.696 -7.165 1.061 1.00 0.00 C ATOM 648 CD1 LEU A 42 -5.243 -6.681 -0.308 1.00 0.00 C ATOM 649 CD2 LEU A 42 -4.525 -7.192 2.033 1.00 0.00 C ATOM 0 H LEU A 42 -8.082 -8.369 1.936 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.583 -6.732 3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.630 -6.270 0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.444 -5.256 1.670 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.080 -8.180 0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.444 -7.325 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.083 -6.713 -1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.877 -5.657 -0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.735 -7.829 1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.142 -6.181 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.858 -7.586 2.993 1.00 0.00 H new ATOM 661 N GLY A 43 -9.675 -5.894 3.225 1.00 0.00 N ATOM 662 CA GLY A 43 -10.708 -4.960 3.636 1.00 0.00 C ATOM 663 C GLY A 43 -11.046 -5.082 5.108 1.00 0.00 C ATOM 664 O GLY A 43 -11.057 -4.088 5.835 1.00 0.00 O ATOM 0 H GLY A 43 -10.019 -6.745 2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.379 -3.943 3.425 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.607 -5.133 3.044 1.00 0.00 H new ATOM 668 N LYS A 44 -11.325 -6.303 5.551 1.00 0.00 N ATOM 669 CA LYS A 44 -11.666 -6.552 6.947 1.00 0.00 C ATOM 670 C LYS A 44 -10.581 -6.017 7.876 1.00 0.00 C ATOM 671 O LYS A 44 -10.874 -5.488 8.948 1.00 0.00 O ATOM 672 CB LYS A 44 -11.864 -8.051 7.185 1.00 0.00 C ATOM 673 CG LYS A 44 -10.575 -8.852 7.124 1.00 0.00 C ATOM 674 CD LYS A 44 -10.778 -10.273 7.619 1.00 0.00 C ATOM 675 CE LYS A 44 -9.511 -11.102 7.471 1.00 0.00 C ATOM 676 NZ LYS A 44 -8.504 -10.767 8.516 1.00 0.00 N ATOM 0 H LYS A 44 -11.322 -7.136 4.963 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.597 -6.029 7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.327 -8.197 8.161 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.559 -8.440 6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.206 -8.872 6.098 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.812 -8.361 7.728 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.082 -10.255 8.666 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.588 -10.742 7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.761 -12.161 7.533 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.080 -10.934 6.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.655 -11.353 8.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.247 -9.762 8.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.906 -10.952 9.457 1.00 0.00 H new ATOM 690 N SER A 45 -9.328 -6.158 7.457 1.00 0.00 N ATOM 691 CA SER A 45 -8.199 -5.691 8.253 1.00 0.00 C ATOM 692 C SER A 45 -8.062 -4.174 8.165 1.00 0.00 C ATOM 693 O SER A 45 -7.609 -3.525 9.108 1.00 0.00 O ATOM 694 CB SER A 45 -6.905 -6.359 7.784 1.00 0.00 C ATOM 695 OG SER A 45 -6.824 -7.696 8.247 1.00 0.00 O ATOM 0 H SER A 45 -9.069 -6.592 6.571 1.00 0.00 H new ATOM 0 HA SER A 45 -8.383 -5.962 9.293 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.859 -6.345 6.695 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.047 -5.793 8.147 1.00 0.00 H new ATOM 0 HG SER A 45 -5.989 -8.101 7.932 1.00 0.00 H new ATOM 701 N TRP A 46 -8.458 -3.617 7.027 1.00 0.00 N ATOM 702 CA TRP A 46 -8.380 -2.176 6.814 1.00 0.00 C ATOM 703 C TRP A 46 -9.371 -1.439 7.708 1.00 0.00 C ATOM 704 O TRP A 46 -8.980 -0.745 8.647 1.00 0.00 O ATOM 705 CB TRP A 46 -8.651 -1.840 5.347 1.00 0.00 C ATOM 706 CG TRP A 46 -8.610 -0.371 5.056 1.00 0.00 C ATOM 707 CD1 TRP A 46 -9.639 0.403 4.601 1.00 0.00 C ATOM 708 CD2 TRP A 46 -7.483 0.500 5.199 1.00 0.00 C ATOM 709 NE1 TRP A 46 -9.219 1.703 4.452 1.00 0.00 N ATOM 710 CE2 TRP A 46 -7.901 1.789 4.813 1.00 0.00 C ATOM 711 CE3 TRP A 46 -6.162 0.318 5.618 1.00 0.00 C ATOM 712 CZ2 TRP A 46 -7.044 2.886 4.833 1.00 0.00 C ATOM 713 CZ3 TRP A 46 -5.313 1.408 5.636 1.00 0.00 C ATOM 714 CH2 TRP A 46 -5.756 2.679 5.247 1.00 0.00 C ATOM 0 H TRP A 46 -8.836 -4.140 6.237 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.373 -1.850 7.074 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -7.914 -2.347 4.724 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -9.629 -2.231 5.067 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -10.636 0.046 4.389 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.796 2.478 4.125 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -5.811 -0.657 5.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -7.384 3.866 4.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.290 1.278 5.956 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.068 3.511 5.274 1.00 0.00 H new ATOM 725 N LYS A 47 -10.657 -1.594 7.412 1.00 0.00 N ATOM 726 CA LYS A 47 -11.706 -0.945 8.189 1.00 0.00 C ATOM 727 C LYS A 47 -11.457 -1.113 9.685 1.00 0.00 C ATOM 728 O LYS A 47 -11.742 -0.214 10.476 1.00 0.00 O ATOM 729 CB LYS A 47 -13.074 -1.523 7.821 1.00 0.00 C ATOM 730 CG LYS A 47 -13.767 -0.777 6.695 1.00 0.00 C ATOM 731 CD LYS A 47 -14.871 -1.612 6.068 1.00 0.00 C ATOM 732 CE LYS A 47 -14.304 -2.699 5.168 1.00 0.00 C ATOM 733 NZ LYS A 47 -15.280 -3.119 4.124 1.00 0.00 N ATOM 0 H LYS A 47 -10.998 -2.164 6.638 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.693 0.119 7.953 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.952 -2.567 7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.714 -1.509 8.703 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.186 0.153 7.078 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.036 -0.507 5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.475 -2.067 6.853 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.532 -0.967 5.489 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.394 -2.337 4.690 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.025 -3.562 5.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.856 -3.861 3.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.139 -3.488 4.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.527 -2.301 3.531 1.00 0.00 H new ATOM 747 N ALA A 48 -10.922 -2.268 10.066 1.00 0.00 N ATOM 748 CA ALA A 48 -10.632 -2.551 11.466 1.00 0.00 C ATOM 749 C ALA A 48 -9.637 -1.545 12.034 1.00 0.00 C ATOM 750 O ALA A 48 -9.771 -1.100 13.175 1.00 0.00 O ATOM 751 CB ALA A 48 -10.098 -3.968 11.618 1.00 0.00 C ATOM 0 H ALA A 48 -10.681 -3.023 9.424 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.561 -2.462 12.030 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.886 -4.166 12.669 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.843 -4.678 11.258 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.183 -4.076 11.036 1.00 0.00 H new ATOM 757 N LEU A 49 -8.638 -1.190 11.233 1.00 0.00 N ATOM 758 CA LEU A 49 -7.620 -0.236 11.657 1.00 0.00 C ATOM 759 C LEU A 49 -8.259 1.045 12.184 1.00 0.00 C ATOM 760 O LEU A 49 -9.379 1.393 11.809 1.00 0.00 O ATOM 761 CB LEU A 49 -6.682 0.090 10.493 1.00 0.00 C ATOM 762 CG LEU A 49 -5.735 -1.029 10.060 1.00 0.00 C ATOM 763 CD1 LEU A 49 -5.107 -0.706 8.714 1.00 0.00 C ATOM 764 CD2 LEU A 49 -4.659 -1.254 11.113 1.00 0.00 C ATOM 0 H LEU A 49 -8.512 -1.549 10.287 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.045 -0.691 12.463 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.288 0.378 9.634 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.084 0.959 10.767 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.312 -1.948 9.957 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.436 -1.514 8.422 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.890 -0.596 7.964 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.544 0.224 8.789 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.994 -2.054 10.788 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.085 -0.337 11.248 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.127 -1.532 12.057 1.00 0.00 H new ATOM 776 N THR A 50 -7.539 1.744 13.056 1.00 0.00 N ATOM 777 CA THR A 50 -8.034 2.987 13.634 1.00 0.00 C ATOM 778 C THR A 50 -7.572 4.193 12.825 1.00 0.00 C ATOM 779 O THR A 50 -6.831 4.052 11.850 1.00 0.00 O ATOM 780 CB THR A 50 -7.568 3.153 15.093 1.00 0.00 C ATOM 781 OG1 THR A 50 -6.152 2.961 15.180 1.00 0.00 O ATOM 782 CG2 THR A 50 -8.277 2.161 16.003 1.00 0.00 C ATOM 0 H THR A 50 -6.611 1.470 13.377 1.00 0.00 H new ATOM 0 HA THR A 50 -9.122 2.934 13.611 1.00 0.00 H new ATOM 0 HB THR A 50 -7.817 4.163 15.419 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.693 3.779 14.898 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.932 2.297 17.028 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.353 2.330 15.957 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.055 1.145 15.677 1.00 0.00 H new ATOM 790 N LEU A 51 -8.011 5.378 13.234 1.00 0.00 N ATOM 791 CA LEU A 51 -7.641 6.610 12.546 1.00 0.00 C ATOM 792 C LEU A 51 -6.127 6.793 12.533 1.00 0.00 C ATOM 793 O LEU A 51 -5.518 6.932 11.473 1.00 0.00 O ATOM 794 CB LEU A 51 -8.306 7.812 13.219 1.00 0.00 C ATOM 795 CG LEU A 51 -8.204 9.142 12.471 1.00 0.00 C ATOM 796 CD1 LEU A 51 -6.952 9.896 12.892 1.00 0.00 C ATOM 797 CD2 LEU A 51 -8.208 8.909 10.967 1.00 0.00 C ATOM 0 H LEU A 51 -8.624 5.512 14.039 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.988 6.540 11.515 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.361 7.582 13.368 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.865 7.939 14.208 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.072 9.749 12.727 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.896 10.840 12.350 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.990 10.095 13.963 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.072 9.295 12.665 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.135 9.866 10.450 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.359 8.283 10.694 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.134 8.411 10.678 1.00 0.00 H new ATOM 809 N ALA A 52 -5.526 6.789 13.718 1.00 0.00 N ATOM 810 CA ALA A 52 -4.082 6.950 13.843 1.00 0.00 C ATOM 811 C ALA A 52 -3.340 5.899 13.024 1.00 0.00 C ATOM 812 O ALA A 52 -2.211 6.123 12.589 1.00 0.00 O ATOM 813 CB ALA A 52 -3.667 6.874 15.304 1.00 0.00 C ATOM 0 H ALA A 52 -6.016 6.676 14.605 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.815 7.932 13.452 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.587 6.996 15.382 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.163 7.666 15.865 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.954 5.905 15.714 1.00 0.00 H new ATOM 819 N GLU A 53 -3.982 4.753 12.820 1.00 0.00 N ATOM 820 CA GLU A 53 -3.380 3.667 12.055 1.00 0.00 C ATOM 821 C GLU A 53 -3.323 4.015 10.570 1.00 0.00 C ATOM 822 O GLU A 53 -2.376 3.653 9.871 1.00 0.00 O ATOM 823 CB GLU A 53 -4.170 2.373 12.257 1.00 0.00 C ATOM 824 CG GLU A 53 -3.990 1.759 13.635 1.00 0.00 C ATOM 825 CD GLU A 53 -2.658 1.051 13.790 1.00 0.00 C ATOM 826 OE1 GLU A 53 -2.286 0.284 12.878 1.00 0.00 O ATOM 827 OE2 GLU A 53 -1.989 1.265 14.823 1.00 0.00 O ATOM 0 H GLU A 53 -4.918 4.553 13.173 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.362 3.522 12.416 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.229 2.574 12.094 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.863 1.648 11.503 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.071 2.541 14.390 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.797 1.051 13.821 1.00 0.00 H new ATOM 834 N LYS A 54 -4.344 4.719 10.093 1.00 0.00 N ATOM 835 CA LYS A 54 -4.413 5.117 8.692 1.00 0.00 C ATOM 836 C LYS A 54 -3.661 6.424 8.461 1.00 0.00 C ATOM 837 O LYS A 54 -3.480 6.853 7.321 1.00 0.00 O ATOM 838 CB LYS A 54 -5.871 5.270 8.255 1.00 0.00 C ATOM 839 CG LYS A 54 -6.728 4.053 8.557 1.00 0.00 C ATOM 840 CD LYS A 54 -8.208 4.362 8.407 1.00 0.00 C ATOM 841 CE LYS A 54 -8.692 4.095 6.990 1.00 0.00 C ATOM 842 NZ LYS A 54 -10.136 4.422 6.826 1.00 0.00 N ATOM 0 H LYS A 54 -5.136 5.026 10.657 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.942 4.337 8.094 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.301 6.139 8.752 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.901 5.468 7.184 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.455 3.239 7.885 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.528 3.709 9.572 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.780 3.755 9.109 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.391 5.405 8.665 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.104 4.686 6.288 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.526 3.047 6.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.427 4.226 5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.700 3.840 7.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.290 5.428 7.039 1.00 0.00 H new ATOM 856 N ARG A 55 -3.226 7.051 9.548 1.00 0.00 N ATOM 857 CA ARG A 55 -2.494 8.309 9.463 1.00 0.00 C ATOM 858 C ARG A 55 -1.246 8.155 8.598 1.00 0.00 C ATOM 859 O ARG A 55 -0.997 8.935 7.679 1.00 0.00 O ATOM 860 CB ARG A 55 -2.102 8.792 10.861 1.00 0.00 C ATOM 861 CG ARG A 55 -2.113 10.305 11.008 1.00 0.00 C ATOM 862 CD ARG A 55 -3.521 10.833 11.230 1.00 0.00 C ATOM 863 NE ARG A 55 -3.606 12.274 11.012 1.00 0.00 N ATOM 864 CZ ARG A 55 -4.752 12.945 10.974 1.00 0.00 C ATOM 865 NH1 ARG A 55 -5.903 12.309 11.141 1.00 0.00 N ATOM 866 NH2 ARG A 55 -4.748 14.257 10.771 1.00 0.00 N ATOM 0 H ARG A 55 -3.368 6.709 10.498 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.147 9.049 9.000 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.786 8.360 11.591 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.106 8.420 11.099 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.478 10.595 11.845 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.689 10.762 10.114 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.210 10.323 10.556 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.839 10.601 12.246 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.738 12.794 10.882 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.911 11.301 11.299 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.781 12.827 11.111 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.865 14.751 10.644 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.628 14.771 10.742 1.00 0.00 H new ATOM 880 N PRO A 56 -0.441 7.125 8.899 1.00 0.00 N ATOM 881 CA PRO A 56 0.794 6.844 8.162 1.00 0.00 C ATOM 882 C PRO A 56 0.523 6.345 6.746 1.00 0.00 C ATOM 883 O PRO A 56 1.361 6.490 5.856 1.00 0.00 O ATOM 884 CB PRO A 56 1.463 5.748 8.995 1.00 0.00 C ATOM 885 CG PRO A 56 0.342 5.081 9.714 1.00 0.00 C ATOM 886 CD PRO A 56 -0.675 6.155 9.983 1.00 0.00 C ATOM 0 HA PRO A 56 1.406 7.737 8.037 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.002 5.043 8.362 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.187 6.168 9.693 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.086 4.280 9.111 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.688 4.630 10.644 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.691 5.762 9.958 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.532 6.607 10.965 1.00 0.00 H new ATOM 894 N PHE A 57 -0.652 5.759 6.545 1.00 0.00 N ATOM 895 CA PHE A 57 -1.033 5.239 5.237 1.00 0.00 C ATOM 896 C PHE A 57 -1.939 6.223 4.503 1.00 0.00 C ATOM 897 O PHE A 57 -2.227 6.054 3.318 1.00 0.00 O ATOM 898 CB PHE A 57 -1.741 3.891 5.387 1.00 0.00 C ATOM 899 CG PHE A 57 -0.997 2.917 6.256 1.00 0.00 C ATOM 900 CD1 PHE A 57 0.222 2.398 5.852 1.00 0.00 C ATOM 901 CD2 PHE A 57 -1.518 2.520 7.477 1.00 0.00 C ATOM 902 CE1 PHE A 57 0.909 1.502 6.649 1.00 0.00 C ATOM 903 CE2 PHE A 57 -0.836 1.625 8.279 1.00 0.00 C ATOM 904 CZ PHE A 57 0.378 1.114 7.864 1.00 0.00 C ATOM 0 H PHE A 57 -1.357 5.632 7.271 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.125 5.101 4.650 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.733 4.056 5.807 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.881 3.451 4.400 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.641 2.697 4.903 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.468 2.915 7.806 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.859 1.106 6.323 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.252 1.325 9.230 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.911 0.412 8.488 1.00 0.00 H new ATOM 914 N VAL A 58 -2.387 7.251 5.217 1.00 0.00 N ATOM 915 CA VAL A 58 -3.260 8.263 4.635 1.00 0.00 C ATOM 916 C VAL A 58 -2.457 9.452 4.120 1.00 0.00 C ATOM 917 O VAL A 58 -2.785 10.035 3.088 1.00 0.00 O ATOM 918 CB VAL A 58 -4.299 8.763 5.657 1.00 0.00 C ATOM 919 CG1 VAL A 58 -4.866 10.108 5.228 1.00 0.00 C ATOM 920 CG2 VAL A 58 -5.409 7.738 5.832 1.00 0.00 C ATOM 0 H VAL A 58 -2.160 7.405 6.199 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.779 7.791 3.801 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.803 8.895 6.619 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.598 10.445 5.962 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.059 10.838 5.159 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.348 10.006 4.256 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.134 8.107 6.557 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.905 7.572 4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.985 6.800 6.189 1.00 0.00 H new ATOM 930 N GLU A 59 -1.401 9.806 4.847 1.00 0.00 N ATOM 931 CA GLU A 59 -0.551 10.926 4.464 1.00 0.00 C ATOM 932 C GLU A 59 0.360 10.544 3.301 1.00 0.00 C ATOM 933 O GLU A 59 1.007 11.401 2.699 1.00 0.00 O ATOM 934 CB GLU A 59 0.291 11.388 5.655 1.00 0.00 C ATOM 935 CG GLU A 59 -0.533 11.754 6.878 1.00 0.00 C ATOM 936 CD GLU A 59 -0.943 13.214 6.889 1.00 0.00 C ATOM 937 OE1 GLU A 59 -0.063 14.079 6.702 1.00 0.00 O ATOM 938 OE2 GLU A 59 -2.145 13.491 7.086 1.00 0.00 O ATOM 0 H GLU A 59 -1.115 9.333 5.704 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.195 11.745 4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.991 10.597 5.923 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.885 12.252 5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.426 11.129 6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.042 11.535 7.778 1.00 0.00 H new ATOM 945 N GLU A 60 0.405 9.252 2.991 1.00 0.00 N ATOM 946 CA GLU A 60 1.238 8.757 1.901 1.00 0.00 C ATOM 947 C GLU A 60 0.450 8.704 0.595 1.00 0.00 C ATOM 948 O GLU A 60 0.813 9.350 -0.387 1.00 0.00 O ATOM 949 CB GLU A 60 1.783 7.367 2.238 1.00 0.00 C ATOM 950 CG GLU A 60 2.325 6.618 1.032 1.00 0.00 C ATOM 951 CD GLU A 60 3.257 5.486 1.419 1.00 0.00 C ATOM 952 OE1 GLU A 60 3.941 5.609 2.457 1.00 0.00 O ATOM 953 OE2 GLU A 60 3.303 4.478 0.683 1.00 0.00 O ATOM 0 H GLU A 60 -0.125 8.530 3.479 1.00 0.00 H new ATOM 0 HA GLU A 60 2.073 9.446 1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.575 7.467 2.980 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.990 6.776 2.696 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.493 6.217 0.454 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.856 7.316 0.384 1.00 0.00 H new ATOM 960 N ALA A 61 -0.630 7.930 0.594 1.00 0.00 N ATOM 961 CA ALA A 61 -1.470 7.793 -0.590 1.00 0.00 C ATOM 962 C ALA A 61 -1.833 9.158 -1.165 1.00 0.00 C ATOM 963 O ALA A 61 -1.941 9.320 -2.380 1.00 0.00 O ATOM 964 CB ALA A 61 -2.729 7.006 -0.256 1.00 0.00 C ATOM 0 H ALA A 61 -0.944 7.388 1.399 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.905 7.248 -1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.347 6.912 -1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.454 6.014 0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.290 7.528 0.519 1.00 0.00 H new ATOM 970 N GLU A 62 -2.023 10.135 -0.284 1.00 0.00 N ATOM 971 CA GLU A 62 -2.376 11.485 -0.706 1.00 0.00 C ATOM 972 C GLU A 62 -1.239 12.123 -1.500 1.00 0.00 C ATOM 973 O GLU A 62 -1.473 12.850 -2.465 1.00 0.00 O ATOM 974 CB GLU A 62 -2.713 12.352 0.509 1.00 0.00 C ATOM 975 CG GLU A 62 -2.819 13.833 0.189 1.00 0.00 C ATOM 976 CD GLU A 62 -3.751 14.568 1.133 1.00 0.00 C ATOM 977 OE1 GLU A 62 -3.517 14.515 2.359 1.00 0.00 O ATOM 978 OE2 GLU A 62 -4.715 15.197 0.647 1.00 0.00 O ATOM 0 H GLU A 62 -1.938 10.017 0.726 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.253 11.418 -1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.657 12.013 0.936 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.948 12.207 1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.828 14.284 0.239 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.174 13.955 -0.834 1.00 0.00 H new ATOM 985 N ARG A 63 -0.007 11.845 -1.084 1.00 0.00 N ATOM 986 CA ARG A 63 1.167 12.392 -1.754 1.00 0.00 C ATOM 987 C ARG A 63 1.340 11.774 -3.139 1.00 0.00 C ATOM 988 O ARG A 63 1.869 12.409 -4.052 1.00 0.00 O ATOM 989 CB ARG A 63 2.421 12.145 -0.914 1.00 0.00 C ATOM 990 CG ARG A 63 2.494 13.004 0.338 1.00 0.00 C ATOM 991 CD ARG A 63 3.713 12.660 1.180 1.00 0.00 C ATOM 992 NE ARG A 63 4.932 13.263 0.649 1.00 0.00 N ATOM 993 CZ ARG A 63 6.110 13.200 1.261 1.00 0.00 C ATOM 994 NH1 ARG A 63 6.225 12.565 2.419 1.00 0.00 N ATOM 995 NH2 ARG A 63 7.174 13.774 0.715 1.00 0.00 N ATOM 0 H ARG A 63 0.204 11.245 -0.287 1.00 0.00 H new ATOM 0 HA ARG A 63 1.021 13.466 -1.870 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.454 11.094 -0.626 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.302 12.335 -1.527 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.530 14.056 0.057 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.590 12.863 0.930 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.555 13.002 2.203 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.832 11.577 1.220 1.00 0.00 H new ATOM 0 HE ARG A 63 4.876 13.760 -0.240 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.408 12.124 2.842 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.130 12.518 2.887 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.088 14.264 -0.175 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.078 13.725 1.186 1.00 0.00 H new