USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 538 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 ASN :FLIP amide:sc= -0.304! F(o=-1.2,f=-0.3!) USER MOD Single : A 15 ASN :FLIP amide:sc= -1.07! C(o=-5.2!,f=-1.1!) USER MOD Single : A 17 LYS NZ :NH3+ -152:sc= -0.781 (180deg=-1.95!) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.723 F(o=-2.4,f=-0.72) USER MOD Single : A 25 SER OG : rot 180:sc= 0.111 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc=0.000975 USER MOD Single : A 34 CYS SG : rot 35:sc= -2.46 USER MOD Single : A 36 GLN :FLIP amide:sc= -9.36! C(o=-11!,f=-9.4!) USER MOD Single : A 37 LYS NZ :NH3+ -144:sc= -4.04! (180deg=-6.87!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -1.81 USER MOD Single : A 44 LYS NZ :NH3+ 162:sc=-0.00567 (180deg=-0.143) USER MOD Single : A 47 LYS NZ :NH3+ -133:sc= -2.35 (180deg=-4.9!) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 165:sc= -1.28 (180deg=-1.77) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 61 SER OG : rot -144:sc= 1.28 USER MOD Single : A 62 MET CE :methyl -178:sc= -0.384 (180deg=-0.399) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 135:sc= -2.7! (180deg=-5.33!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 143 N ASN A 12 -6.875 -1.585 6.107 1.00 0.00 N ATOM 144 CA ASN A 12 -7.750 -0.698 5.341 1.00 0.00 C ATOM 145 C ASN A 12 -7.252 0.747 5.372 1.00 0.00 C ATOM 146 O ASN A 12 -7.409 1.454 6.368 1.00 0.00 O ATOM 147 CB ASN A 12 -9.185 -0.763 5.879 1.00 0.00 C ATOM 148 CG ASN A 12 -9.191 -0.645 7.399 1.00 0.00 C ATOM 149 OD1 ASN A 12 -9.425 -1.703 8.125 1.00 0.00 O flip ATOM 150 ND2 ASN A 12 -8.977 0.441 7.939 1.00 0.00 N flip ATOM 0 HA ASN A 12 -7.737 -1.041 4.306 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.780 0.040 5.444 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -9.650 -1.702 5.579 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -8.794 1.267 7.369 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -8.982 0.515 8.956 1.00 0.00 H new ATOM 157 N LEU A 13 -6.669 1.180 4.259 1.00 0.00 N ATOM 158 CA LEU A 13 -6.161 2.545 4.140 1.00 0.00 C ATOM 159 C LEU A 13 -5.052 2.807 5.156 1.00 0.00 C ATOM 160 O LEU A 13 -4.584 1.890 5.831 1.00 0.00 O ATOM 161 CB LEU A 13 -7.297 3.556 4.346 1.00 0.00 C ATOM 162 CG LEU A 13 -8.571 3.080 3.635 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.597 4.215 3.628 1.00 0.00 C ATOM 164 CD2 LEU A 13 -8.253 2.683 2.188 1.00 0.00 C ATOM 0 H LEU A 13 -6.536 0.607 3.426 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.750 2.663 3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.492 3.681 5.411 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.000 4.531 3.960 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.971 2.215 4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.504 3.882 3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.834 4.497 4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.184 5.075 3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.165 2.347 1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.848 3.543 1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.520 1.876 2.185 1.00 0.00 H new ATOM 176 N ALA A 14 -4.637 4.069 5.253 1.00 0.00 N ATOM 177 CA ALA A 14 -3.579 4.458 6.184 1.00 0.00 C ATOM 178 C ALA A 14 -3.793 5.889 6.663 1.00 0.00 C ATOM 179 O ALA A 14 -4.200 6.758 5.892 1.00 0.00 O ATOM 180 CB ALA A 14 -2.217 4.351 5.499 1.00 0.00 C ATOM 0 H ALA A 14 -5.016 4.838 4.700 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.609 3.787 7.042 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.434 4.642 6.199 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.052 3.323 5.177 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.193 5.011 4.632 1.00 0.00 H new ATOM 186 N ASN A 15 -3.519 6.126 7.943 1.00 0.00 N ATOM 187 CA ASN A 15 -3.688 7.456 8.519 1.00 0.00 C ATOM 188 C ASN A 15 -2.455 8.320 8.260 1.00 0.00 C ATOM 189 O ASN A 15 -1.425 7.829 7.799 1.00 0.00 O ATOM 190 CB ASN A 15 -3.917 7.344 10.028 1.00 0.00 C ATOM 191 CG ASN A 15 -4.982 6.293 10.323 1.00 0.00 C ATOM 192 OD1 ASN A 15 -4.876 5.103 9.798 1.00 0.00 O flip ATOM 193 ND2 ASN A 15 -5.935 6.563 11.053 1.00 0.00 N flip ATOM 0 H ASN A 15 -3.181 5.420 8.597 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.552 7.924 8.048 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.985 7.077 10.526 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.227 8.309 10.429 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.016 7.494 11.462 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.644 5.856 11.249 1.00 0.00 H new ATOM 200 N ARG A 16 -2.572 9.608 8.568 1.00 0.00 N ATOM 201 CA ARG A 16 -1.465 10.543 8.377 1.00 0.00 C ATOM 202 C ARG A 16 -0.921 10.469 6.950 1.00 0.00 C ATOM 203 O ARG A 16 -1.256 9.558 6.192 1.00 0.00 O ATOM 204 CB ARG A 16 -0.353 10.248 9.391 1.00 0.00 C ATOM 205 CG ARG A 16 -0.958 10.142 10.808 1.00 0.00 C ATOM 206 CD ARG A 16 0.085 10.512 11.872 1.00 0.00 C ATOM 207 NE ARG A 16 -0.542 10.581 13.187 1.00 0.00 N ATOM 208 CZ ARG A 16 0.165 10.885 14.270 1.00 0.00 C ATOM 209 NH1 ARG A 16 1.444 11.128 14.168 1.00 0.00 N ATOM 210 NH2 ARG A 16 -0.418 10.940 15.436 1.00 0.00 N ATOM 0 H ARG A 16 -3.419 10.029 8.950 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.837 11.555 8.539 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.153 9.319 9.130 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.397 11.038 9.363 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.820 10.804 10.891 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.317 9.127 10.981 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.885 9.772 11.881 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.541 11.471 11.627 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.540 10.393 13.277 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.900 11.084 13.257 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.987 11.361 15.000 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.417 10.750 15.516 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.125 11.173 16.267 1.00 0.00 H new ATOM 224 N LYS A 17 -0.096 11.453 6.587 1.00 0.00 N ATOM 225 CA LYS A 17 0.480 11.521 5.241 1.00 0.00 C ATOM 226 C LYS A 17 1.818 10.783 5.162 1.00 0.00 C ATOM 227 O LYS A 17 2.723 11.026 5.959 1.00 0.00 O ATOM 228 CB LYS A 17 0.677 12.997 4.854 1.00 0.00 C ATOM 229 CG LYS A 17 1.565 13.111 3.606 1.00 0.00 C ATOM 230 CD LYS A 17 1.398 14.496 2.975 1.00 0.00 C ATOM 231 CE LYS A 17 2.317 14.618 1.759 1.00 0.00 C ATOM 232 NZ LYS A 17 3.726 14.783 2.217 1.00 0.00 N ATOM 0 H LYS A 17 0.188 12.213 7.205 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.207 11.036 4.548 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.290 13.461 4.663 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.133 13.539 5.683 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.609 12.947 3.875 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.296 12.338 2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.361 14.648 2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.637 15.270 3.704 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.228 13.731 1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.019 15.471 1.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.262 15.318 1.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.739 15.299 3.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.161 13.847 2.347 1.00 0.00 H new ATOM 246 N ILE A 18 1.937 9.900 4.172 1.00 0.00 N ATOM 247 CA ILE A 18 3.170 9.145 3.966 1.00 0.00 C ATOM 248 C ILE A 18 4.262 10.102 3.443 1.00 0.00 C ATOM 249 O ILE A 18 3.996 10.888 2.535 1.00 0.00 O ATOM 250 CB ILE A 18 2.903 8.017 2.932 1.00 0.00 C ATOM 251 CG1 ILE A 18 2.345 6.757 3.642 1.00 0.00 C ATOM 252 CG2 ILE A 18 4.178 7.659 2.139 1.00 0.00 C ATOM 253 CD1 ILE A 18 3.475 5.879 4.194 1.00 0.00 C ATOM 0 H ILE A 18 1.197 9.691 3.502 1.00 0.00 H new ATOM 0 HA ILE A 18 3.505 8.699 4.903 1.00 0.00 H new ATOM 0 HB ILE A 18 2.162 8.387 2.223 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.686 7.058 4.456 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.743 6.179 2.941 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.952 6.866 1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.532 8.540 1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.951 7.318 2.828 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.049 5.004 4.685 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.119 5.558 3.375 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.061 6.450 4.914 1.00 0.00 H new ATOM 265 N PRO A 19 5.472 10.059 3.966 1.00 0.00 N ATOM 266 CA PRO A 19 6.569 10.956 3.485 1.00 0.00 C ATOM 267 C PRO A 19 6.970 10.620 2.044 1.00 0.00 C ATOM 268 O PRO A 19 7.470 9.530 1.765 1.00 0.00 O ATOM 269 CB PRO A 19 7.713 10.685 4.477 1.00 0.00 C ATOM 270 CG PRO A 19 7.456 9.306 4.974 1.00 0.00 C ATOM 271 CD PRO A 19 5.943 9.180 5.054 1.00 0.00 C ATOM 0 HA PRO A 19 6.281 12.007 3.457 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.686 10.757 3.990 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.711 11.408 5.293 1.00 0.00 H new ATOM 0 HG2 PRO A 19 7.877 8.561 4.299 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.915 9.148 5.950 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.617 8.150 4.909 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.563 9.501 6.024 1.00 0.00 H new ATOM 279 N LEU A 20 6.721 11.559 1.134 1.00 0.00 N ATOM 280 CA LEU A 20 7.030 11.359 -0.282 1.00 0.00 C ATOM 281 C LEU A 20 8.461 10.836 -0.486 1.00 0.00 C ATOM 282 O LEU A 20 8.693 9.956 -1.314 1.00 0.00 O ATOM 283 CB LEU A 20 6.839 12.688 -1.048 1.00 0.00 C ATOM 284 CG LEU A 20 5.392 12.805 -1.553 1.00 0.00 C ATOM 285 CD1 LEU A 20 4.425 12.780 -0.368 1.00 0.00 C ATOM 286 CD2 LEU A 20 5.222 14.119 -2.318 1.00 0.00 C ATOM 0 H LEU A 20 6.307 12.466 1.350 1.00 0.00 H new ATOM 0 HA LEU A 20 6.346 10.606 -0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.074 13.529 -0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.531 12.734 -1.889 1.00 0.00 H new ATOM 0 HG LEU A 20 5.175 11.966 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.401 12.863 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.541 11.843 0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.643 13.616 0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.196 14.201 -2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.444 14.956 -1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.905 14.137 -3.167 1.00 0.00 H new ATOM 298 N GLN A 21 9.412 11.397 0.253 1.00 0.00 N ATOM 299 CA GLN A 21 10.815 10.998 0.123 1.00 0.00 C ATOM 300 C GLN A 21 10.987 9.475 0.087 1.00 0.00 C ATOM 301 O GLN A 21 11.744 8.953 -0.731 1.00 0.00 O ATOM 302 CB GLN A 21 11.632 11.577 1.287 1.00 0.00 C ATOM 303 CG GLN A 21 10.848 11.430 2.590 1.00 0.00 C ATOM 304 CD GLN A 21 11.681 11.940 3.760 1.00 0.00 C ATOM 305 OE1 GLN A 21 12.947 11.630 3.832 1.00 0.00 O flip ATOM 306 NE2 GLN A 21 11.166 12.640 4.632 1.00 0.00 N flip ATOM 0 H GLN A 21 9.242 12.126 0.946 1.00 0.00 H new ATOM 0 HA GLN A 21 11.177 11.394 -0.826 1.00 0.00 H new ATOM 0 HB2 GLN A 21 12.588 11.059 1.366 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.853 12.628 1.101 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.914 11.989 2.527 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.584 10.385 2.749 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.177 12.881 4.574 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.729 12.979 5.412 1.00 0.00 H new ATOM 315 N ARG A 22 10.312 8.772 0.990 1.00 0.00 N ATOM 316 CA ARG A 22 10.435 7.316 1.060 1.00 0.00 C ATOM 317 C ARG A 22 9.576 6.622 0.003 1.00 0.00 C ATOM 318 O ARG A 22 10.053 5.745 -0.717 1.00 0.00 O ATOM 319 CB ARG A 22 10.035 6.843 2.463 1.00 0.00 C ATOM 320 CG ARG A 22 11.125 7.251 3.485 1.00 0.00 C ATOM 321 CD ARG A 22 10.488 7.581 4.842 1.00 0.00 C ATOM 322 NE ARG A 22 11.468 7.430 5.910 1.00 0.00 N ATOM 323 CZ ARG A 22 12.431 8.327 6.091 1.00 0.00 C ATOM 324 NH1 ARG A 22 12.512 9.366 5.304 1.00 0.00 N ATOM 325 NH2 ARG A 22 13.296 8.171 7.056 1.00 0.00 N ATOM 0 H ARG A 22 9.679 9.179 1.679 1.00 0.00 H new ATOM 0 HA ARG A 22 11.473 7.049 0.859 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.077 7.280 2.745 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.905 5.761 2.469 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.845 6.441 3.601 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.675 8.116 3.114 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.104 8.601 4.833 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.639 6.922 5.023 1.00 0.00 H new ATOM 0 HE ARG A 22 11.414 6.621 6.529 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.836 9.489 4.550 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.251 10.055 5.443 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.233 7.360 7.671 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.035 8.860 7.195 1.00 0.00 H new ATOM 339 N LEU A 23 8.313 7.021 -0.085 1.00 0.00 N ATOM 340 CA LEU A 23 7.385 6.437 -1.057 1.00 0.00 C ATOM 341 C LEU A 23 8.093 6.196 -2.397 1.00 0.00 C ATOM 342 O LEU A 23 8.876 7.028 -2.854 1.00 0.00 O ATOM 343 CB LEU A 23 6.178 7.396 -1.192 1.00 0.00 C ATOM 344 CG LEU A 23 5.442 7.300 -2.552 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.283 7.920 -3.696 1.00 0.00 C ATOM 346 CD2 LEU A 23 5.043 5.835 -2.871 1.00 0.00 C ATOM 0 H LEU A 23 7.904 7.747 0.503 1.00 0.00 H new ATOM 0 HA LEU A 23 7.029 5.463 -0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.469 7.185 -0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.524 8.420 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 23 4.524 7.882 -2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.737 7.836 -4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.473 8.971 -3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.232 7.390 -3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.528 5.799 -3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.939 5.215 -2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.381 5.460 -2.090 1.00 0.00 H new ATOM 358 N GLU A 24 7.822 5.042 -3.016 1.00 0.00 N ATOM 359 CA GLU A 24 8.441 4.686 -4.302 1.00 0.00 C ATOM 360 C GLU A 24 7.405 4.718 -5.426 1.00 0.00 C ATOM 361 O GLU A 24 7.538 5.484 -6.379 1.00 0.00 O ATOM 362 CB GLU A 24 9.064 3.286 -4.206 1.00 0.00 C ATOM 363 CG GLU A 24 9.531 2.808 -5.588 1.00 0.00 C ATOM 364 CD GLU A 24 10.398 3.871 -6.254 1.00 0.00 C ATOM 365 OE1 GLU A 24 9.838 4.796 -6.820 1.00 0.00 O ATOM 366 OE2 GLU A 24 11.610 3.747 -6.188 1.00 0.00 O ATOM 0 H GLU A 24 7.180 4.339 -2.650 1.00 0.00 H new ATOM 0 HA GLU A 24 9.219 5.415 -4.529 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.908 3.304 -3.517 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.335 2.585 -3.799 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.095 1.881 -5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.667 2.589 -6.215 1.00 0.00 H new ATOM 373 N SER A 25 6.373 3.879 -5.309 1.00 0.00 N ATOM 374 CA SER A 25 5.314 3.819 -6.322 1.00 0.00 C ATOM 375 C SER A 25 3.985 3.425 -5.681 1.00 0.00 C ATOM 376 O SER A 25 3.882 3.335 -4.458 1.00 0.00 O ATOM 377 CB SER A 25 5.685 2.804 -7.404 1.00 0.00 C ATOM 378 OG SER A 25 4.880 3.031 -8.553 1.00 0.00 O ATOM 0 H SER A 25 6.247 3.235 -4.528 1.00 0.00 H new ATOM 0 HA SER A 25 5.208 4.806 -6.773 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.740 2.897 -7.660 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.535 1.790 -7.035 1.00 0.00 H new ATOM 0 HG SER A 25 5.115 2.384 -9.250 1.00 0.00 H new ATOM 384 N TYR A 26 2.964 3.186 -6.514 1.00 0.00 N ATOM 385 CA TYR A 26 1.639 2.797 -6.011 1.00 0.00 C ATOM 386 C TYR A 26 1.121 1.559 -6.747 1.00 0.00 C ATOM 387 O TYR A 26 1.652 1.179 -7.790 1.00 0.00 O ATOM 388 CB TYR A 26 0.651 3.959 -6.160 1.00 0.00 C ATOM 389 CG TYR A 26 0.317 4.172 -7.615 1.00 0.00 C ATOM 390 CD1 TYR A 26 1.163 4.942 -8.422 1.00 0.00 C ATOM 391 CD2 TYR A 26 -0.838 3.601 -8.156 1.00 0.00 C ATOM 392 CE1 TYR A 26 0.853 5.140 -9.771 1.00 0.00 C ATOM 393 CE2 TYR A 26 -1.149 3.796 -9.506 1.00 0.00 C ATOM 394 CZ TYR A 26 -0.304 4.567 -10.315 1.00 0.00 C ATOM 395 OH TYR A 26 -0.610 4.760 -11.647 1.00 0.00 O ATOM 0 H TYR A 26 3.028 3.254 -7.530 1.00 0.00 H new ATOM 0 HA TYR A 26 1.733 2.551 -4.953 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.258 3.748 -5.597 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.081 4.868 -5.741 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.055 5.383 -8.003 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.491 3.009 -7.532 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.505 5.735 -10.393 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.040 3.352 -9.924 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.445 4.294 -11.862 1.00 0.00 H new ATOM 405 N ARG A 27 0.095 0.920 -6.180 1.00 0.00 N ATOM 406 CA ARG A 27 -0.471 -0.291 -6.775 1.00 0.00 C ATOM 407 C ARG A 27 -1.916 -0.496 -6.307 1.00 0.00 C ATOM 408 O ARG A 27 -2.188 -0.539 -5.110 1.00 0.00 O ATOM 409 CB ARG A 27 0.410 -1.490 -6.368 1.00 0.00 C ATOM 410 CG ARG A 27 -0.289 -2.832 -6.633 1.00 0.00 C ATOM 411 CD ARG A 27 -0.663 -2.938 -8.108 1.00 0.00 C ATOM 412 NE ARG A 27 0.490 -2.624 -8.945 1.00 0.00 N ATOM 413 CZ ARG A 27 0.365 -2.483 -10.260 1.00 0.00 C ATOM 414 NH1 ARG A 27 -0.802 -2.628 -10.825 1.00 0.00 N ATOM 415 NH2 ARG A 27 1.412 -2.201 -10.988 1.00 0.00 N ATOM 0 H ARG A 27 -0.357 1.219 -5.316 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.488 -0.198 -7.861 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.349 -1.455 -6.921 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.660 -1.414 -5.310 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.368 -3.656 -6.355 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.183 -2.915 -6.015 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.018 -3.944 -8.329 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.482 -2.254 -8.333 1.00 0.00 H new ATOM 0 HE ARG A 27 1.407 -2.511 -8.513 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.620 -2.850 -10.257 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.897 -2.519 -11.835 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.325 -2.089 -10.547 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.317 -2.093 -11.998 1.00 0.00 H new ATOM 429 N ARG A 28 -2.838 -0.628 -7.261 1.00 0.00 N ATOM 430 CA ARG A 28 -4.247 -0.830 -6.928 1.00 0.00 C ATOM 431 C ARG A 28 -4.469 -2.238 -6.364 1.00 0.00 C ATOM 432 O ARG A 28 -3.637 -3.127 -6.547 1.00 0.00 O ATOM 433 CB ARG A 28 -5.122 -0.596 -8.184 1.00 0.00 C ATOM 434 CG ARG A 28 -6.324 0.305 -7.845 1.00 0.00 C ATOM 435 CD ARG A 28 -7.304 0.325 -9.021 1.00 0.00 C ATOM 436 NE ARG A 28 -6.748 1.093 -10.128 1.00 0.00 N ATOM 437 CZ ARG A 28 -7.415 1.239 -11.268 1.00 0.00 C ATOM 438 NH1 ARG A 28 -8.591 0.690 -11.410 1.00 0.00 N ATOM 439 NH2 ARG A 28 -6.897 1.932 -12.244 1.00 0.00 N ATOM 0 H ARG A 28 -2.637 -0.599 -8.261 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.537 -0.111 -6.162 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.524 -0.134 -8.970 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.475 -1.552 -8.572 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.824 -0.062 -6.949 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.982 1.317 -7.627 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.514 -0.694 -9.346 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.252 0.761 -8.706 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.830 1.526 -10.026 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.997 0.150 -10.646 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.104 0.802 -12.285 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.979 2.363 -12.133 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.410 2.043 -13.119 1.00 0.00 H new ATOM 453 N ILE A 29 -5.594 -2.427 -5.664 1.00 0.00 N ATOM 454 CA ILE A 29 -5.925 -3.728 -5.056 1.00 0.00 C ATOM 455 C ILE A 29 -7.276 -4.231 -5.573 1.00 0.00 C ATOM 456 O ILE A 29 -7.875 -5.132 -4.986 1.00 0.00 O ATOM 457 CB ILE A 29 -5.956 -3.612 -3.497 1.00 0.00 C ATOM 458 CG1 ILE A 29 -5.513 -2.199 -3.076 1.00 0.00 C ATOM 459 CG2 ILE A 29 -5.015 -4.656 -2.869 1.00 0.00 C ATOM 460 CD1 ILE A 29 -5.614 -2.035 -1.554 1.00 0.00 C ATOM 0 H ILE A 29 -6.291 -1.700 -5.503 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.153 -4.444 -5.337 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.972 -3.795 -3.148 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.487 -2.022 -3.399 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.136 -1.454 -3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.045 -4.566 -1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.336 -5.656 -3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.997 -4.486 -3.220 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.297 -1.030 -1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.646 -2.191 -1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.971 -2.767 -1.066 1.00 0.00 H new ATOM 472 N THR A 30 -7.750 -3.649 -6.668 1.00 0.00 N ATOM 473 CA THR A 30 -9.028 -4.059 -7.238 1.00 0.00 C ATOM 474 C THR A 30 -9.044 -5.567 -7.478 1.00 0.00 C ATOM 475 O THR A 30 -10.101 -6.197 -7.451 1.00 0.00 O ATOM 476 CB THR A 30 -9.278 -3.323 -8.559 1.00 0.00 C ATOM 477 OG1 THR A 30 -8.093 -3.348 -9.343 1.00 0.00 O ATOM 478 CG2 THR A 30 -9.671 -1.872 -8.271 1.00 0.00 C ATOM 0 H THR A 30 -7.276 -2.901 -7.174 1.00 0.00 H new ATOM 0 HA THR A 30 -9.818 -3.805 -6.532 1.00 0.00 H new ATOM 0 HB THR A 30 -10.085 -3.814 -9.102 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.251 -2.879 -10.189 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.848 -1.350 -9.211 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.579 -1.854 -7.669 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.865 -1.378 -7.728 1.00 0.00 H new ATOM 526 N CYS A 34 -10.004 -6.316 -2.088 1.00 0.00 N ATOM 527 CA CYS A 34 -9.968 -5.574 -0.831 1.00 0.00 C ATOM 528 C CYS A 34 -11.375 -5.090 -0.467 1.00 0.00 C ATOM 529 O CYS A 34 -12.220 -4.920 -1.346 1.00 0.00 O ATOM 530 CB CYS A 34 -9.013 -4.380 -0.974 1.00 0.00 C ATOM 531 SG CYS A 34 -7.321 -4.920 -0.629 1.00 0.00 S ATOM 0 HA CYS A 34 -9.610 -6.225 -0.034 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.077 -3.968 -1.981 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -9.301 -3.586 -0.285 1.00 0.00 H new ATOM 0 HG CYS A 34 -7.156 -6.134 -1.063 1.00 0.00 H new ATOM 536 N PRO A 35 -11.649 -4.866 0.798 1.00 0.00 N ATOM 537 CA PRO A 35 -12.993 -4.393 1.247 1.00 0.00 C ATOM 538 C PRO A 35 -13.424 -3.130 0.500 1.00 0.00 C ATOM 539 O PRO A 35 -14.549 -2.658 0.659 1.00 0.00 O ATOM 540 CB PRO A 35 -12.818 -4.137 2.763 1.00 0.00 C ATOM 541 CG PRO A 35 -11.337 -4.128 3.005 1.00 0.00 C ATOM 542 CD PRO A 35 -10.728 -5.029 1.935 1.00 0.00 C ATOM 0 HA PRO A 35 -13.780 -5.119 1.042 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.268 -3.188 3.054 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -13.306 -4.915 3.350 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -10.937 -3.116 2.936 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -11.103 -4.496 4.004 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -9.714 -4.723 1.679 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.674 -6.067 2.265 1.00 0.00 H new ATOM 550 N GLN A 36 -12.520 -2.597 -0.317 1.00 0.00 N ATOM 551 CA GLN A 36 -12.813 -1.394 -1.090 1.00 0.00 C ATOM 552 C GLN A 36 -11.639 -1.043 -2.000 1.00 0.00 C ATOM 553 O GLN A 36 -10.480 -1.254 -1.642 1.00 0.00 O ATOM 554 CB GLN A 36 -13.108 -0.214 -0.155 1.00 0.00 C ATOM 555 CG GLN A 36 -11.977 -0.053 0.869 1.00 0.00 C ATOM 556 CD GLN A 36 -10.755 0.574 0.208 1.00 0.00 C ATOM 557 OE1 GLN A 36 -9.588 0.008 0.348 1.00 0.00 O flip ATOM 558 NE2 GLN A 36 -10.867 1.607 -0.453 1.00 0.00 N flip ATOM 0 H GLN A 36 -11.584 -2.976 -0.461 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.692 -1.592 -1.704 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -13.215 0.702 -0.736 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.054 -0.377 0.360 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.312 0.571 1.697 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.715 -1.024 1.288 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.781 2.047 -0.561 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.046 2.022 -0.893 1.00 0.00 H new ATOM 567 N LYS A 37 -11.947 -0.501 -3.174 1.00 0.00 N ATOM 568 CA LYS A 37 -10.906 -0.117 -4.121 1.00 0.00 C ATOM 569 C LYS A 37 -9.958 0.884 -3.470 1.00 0.00 C ATOM 570 O LYS A 37 -10.395 1.795 -2.768 1.00 0.00 O ATOM 571 CB LYS A 37 -11.543 0.503 -5.370 1.00 0.00 C ATOM 572 CG LYS A 37 -10.453 1.086 -6.277 1.00 0.00 C ATOM 573 CD LYS A 37 -11.018 1.321 -7.682 1.00 0.00 C ATOM 574 CE LYS A 37 -12.289 2.170 -7.594 1.00 0.00 C ATOM 575 NZ LYS A 37 -13.429 1.314 -7.158 1.00 0.00 N ATOM 0 H LYS A 37 -12.899 -0.319 -3.490 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.342 -1.003 -4.412 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.113 -0.252 -5.911 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.245 1.285 -5.081 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.085 2.024 -5.862 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.604 0.404 -6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.276 1.823 -8.303 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.240 0.366 -8.159 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.144 2.988 -6.889 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.507 2.619 -8.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.298 1.621 -7.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.230 0.322 -7.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.555 1.401 -6.129 1.00 0.00 H new ATOM 589 N ALA A 38 -8.660 0.712 -3.700 1.00 0.00 N ATOM 590 CA ALA A 38 -7.678 1.616 -3.114 1.00 0.00 C ATOM 591 C ALA A 38 -6.325 1.493 -3.812 1.00 0.00 C ATOM 592 O ALA A 38 -6.118 0.603 -4.633 1.00 0.00 O ATOM 593 CB ALA A 38 -7.533 1.314 -1.613 1.00 0.00 C ATOM 0 H ALA A 38 -8.269 -0.032 -4.278 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.028 2.640 -3.248 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.799 1.990 -1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.495 1.454 -1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.203 0.284 -1.479 1.00 0.00 H new ATOM 599 N VAL A 39 -5.408 2.402 -3.468 1.00 0.00 N ATOM 600 CA VAL A 39 -4.062 2.411 -4.048 1.00 0.00 C ATOM 601 C VAL A 39 -3.023 2.180 -2.952 1.00 0.00 C ATOM 602 O VAL A 39 -2.987 2.896 -1.951 1.00 0.00 O ATOM 603 CB VAL A 39 -3.807 3.743 -4.763 1.00 0.00 C ATOM 604 CG1 VAL A 39 -4.997 4.065 -5.670 1.00 0.00 C ATOM 605 CG2 VAL A 39 -3.632 4.865 -3.736 1.00 0.00 C ATOM 0 H VAL A 39 -5.574 3.144 -2.788 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.981 1.607 -4.779 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.898 3.662 -5.359 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.820 5.012 -6.180 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.117 3.272 -6.408 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.903 4.141 -5.068 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.451 5.807 -4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.536 4.950 -3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.784 4.638 -3.090 1.00 0.00 H new ATOM 615 N ILE A 40 -2.200 1.153 -3.141 1.00 0.00 N ATOM 616 CA ILE A 40 -1.176 0.790 -2.162 1.00 0.00 C ATOM 617 C ILE A 40 0.137 1.522 -2.420 1.00 0.00 C ATOM 618 O ILE A 40 0.878 1.154 -3.327 1.00 0.00 O ATOM 619 CB ILE A 40 -0.927 -0.728 -2.237 1.00 0.00 C ATOM 620 CG1 ILE A 40 -2.126 -1.477 -1.646 1.00 0.00 C ATOM 621 CG2 ILE A 40 0.341 -1.114 -1.460 1.00 0.00 C ATOM 622 CD1 ILE A 40 -2.108 -2.927 -2.139 1.00 0.00 C ATOM 0 H ILE A 40 -2.221 0.554 -3.966 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.535 1.077 -1.174 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.795 -1.001 -3.284 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.086 -1.450 -0.557 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.056 -0.991 -1.943 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.496 -2.191 -1.528 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.200 -0.597 -1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.228 -0.829 -0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.959 -3.464 -1.721 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.168 -2.942 -3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.183 -3.408 -1.820 1.00 0.00 H new ATOM 634 N PHE A 41 0.456 2.521 -1.595 1.00 0.00 N ATOM 635 CA PHE A 41 1.724 3.223 -1.760 1.00 0.00 C ATOM 636 C PHE A 41 2.831 2.369 -1.160 1.00 0.00 C ATOM 637 O PHE A 41 2.818 2.072 0.034 1.00 0.00 O ATOM 638 CB PHE A 41 1.704 4.588 -1.061 1.00 0.00 C ATOM 639 CG PHE A 41 0.690 5.487 -1.727 1.00 0.00 C ATOM 640 CD1 PHE A 41 0.873 5.892 -3.057 1.00 0.00 C ATOM 641 CD2 PHE A 41 -0.426 5.928 -1.010 1.00 0.00 C ATOM 642 CE1 PHE A 41 -0.065 6.734 -3.665 1.00 0.00 C ATOM 643 CE2 PHE A 41 -1.358 6.769 -1.617 1.00 0.00 C ATOM 644 CZ PHE A 41 -1.179 7.172 -2.945 1.00 0.00 C ATOM 0 H PHE A 41 -0.129 2.853 -0.828 1.00 0.00 H new ATOM 0 HA PHE A 41 1.895 3.391 -2.823 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.457 4.464 -0.007 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.693 5.044 -1.105 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.736 5.555 -3.611 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.566 5.617 0.015 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.072 7.045 -4.690 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.219 7.110 -1.061 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.903 7.822 -3.414 1.00 0.00 H new ATOM 654 N LYS A 42 3.785 1.963 -1.995 1.00 0.00 N ATOM 655 CA LYS A 42 4.892 1.130 -1.530 1.00 0.00 C ATOM 656 C LYS A 42 6.137 1.975 -1.320 1.00 0.00 C ATOM 657 O LYS A 42 6.605 2.654 -2.232 1.00 0.00 O ATOM 658 CB LYS A 42 5.173 0.014 -2.544 1.00 0.00 C ATOM 659 CG LYS A 42 5.823 0.594 -3.807 1.00 0.00 C ATOM 660 CD LYS A 42 5.684 -0.402 -4.964 1.00 0.00 C ATOM 661 CE LYS A 42 6.196 -1.776 -4.526 1.00 0.00 C ATOM 662 NZ LYS A 42 6.378 -2.645 -5.723 1.00 0.00 N ATOM 0 H LYS A 42 3.815 2.194 -2.988 1.00 0.00 H new ATOM 0 HA LYS A 42 4.614 0.679 -0.578 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.830 -0.734 -2.099 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.244 -0.492 -2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.349 1.540 -4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.876 0.806 -3.621 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.641 -0.473 -5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.248 -0.051 -5.828 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.141 -1.671 -3.993 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.490 -2.235 -3.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.726 -3.579 -5.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.468 -2.755 -6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.068 -2.208 -6.367 1.00 0.00 H new ATOM 676 N THR A 43 6.666 1.932 -0.101 1.00 0.00 N ATOM 677 CA THR A 43 7.859 2.699 0.248 1.00 0.00 C ATOM 678 C THR A 43 9.036 1.754 0.488 1.00 0.00 C ATOM 679 O THR A 43 8.866 0.535 0.518 1.00 0.00 O ATOM 680 CB THR A 43 7.594 3.516 1.521 1.00 0.00 C ATOM 681 OG1 THR A 43 7.956 2.741 2.650 1.00 0.00 O ATOM 682 CG2 THR A 43 6.108 3.877 1.630 1.00 0.00 C ATOM 0 H THR A 43 6.287 1.373 0.664 1.00 0.00 H new ATOM 0 HA THR A 43 8.100 3.372 -0.575 1.00 0.00 H new ATOM 0 HB THR A 43 8.182 4.433 1.478 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.791 3.256 3.467 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.940 4.456 2.538 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.813 4.468 0.763 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.514 2.964 1.666 1.00 0.00 H new ATOM 690 N LYS A 44 10.225 2.321 0.664 1.00 0.00 N ATOM 691 CA LYS A 44 11.417 1.512 0.906 1.00 0.00 C ATOM 692 C LYS A 44 11.411 0.982 2.336 1.00 0.00 C ATOM 693 O LYS A 44 12.445 0.949 3.004 1.00 0.00 O ATOM 694 CB LYS A 44 12.678 2.349 0.675 1.00 0.00 C ATOM 695 CG LYS A 44 12.524 3.174 -0.605 1.00 0.00 C ATOM 696 CD LYS A 44 12.296 2.238 -1.797 1.00 0.00 C ATOM 697 CE LYS A 44 12.554 2.995 -3.101 1.00 0.00 C ATOM 698 NZ LYS A 44 14.023 3.131 -3.315 1.00 0.00 N ATOM 0 H LYS A 44 10.390 3.327 0.644 1.00 0.00 H new ATOM 0 HA LYS A 44 11.413 0.671 0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.849 3.009 1.526 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.549 1.698 0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.686 3.864 -0.506 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.416 3.778 -0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.960 1.376 -1.728 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.275 1.856 -1.782 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.102 2.463 -3.938 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.089 3.980 -3.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.209 3.360 -4.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.393 3.892 -2.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.494 2.236 -3.072 1.00 0.00 H new ATOM 712 N LEU A 45 10.231 0.576 2.803 1.00 0.00 N ATOM 713 CA LEU A 45 10.071 0.055 4.162 1.00 0.00 C ATOM 714 C LEU A 45 9.924 -1.470 4.126 1.00 0.00 C ATOM 715 O LEU A 45 10.145 -2.099 3.092 1.00 0.00 O ATOM 716 CB LEU A 45 8.827 0.698 4.812 1.00 0.00 C ATOM 717 CG LEU A 45 9.160 2.048 5.500 1.00 0.00 C ATOM 718 CD1 LEU A 45 9.687 1.806 6.917 1.00 0.00 C ATOM 719 CD2 LEU A 45 10.206 2.860 4.710 1.00 0.00 C ATOM 0 H LEU A 45 9.368 0.598 2.259 1.00 0.00 H new ATOM 0 HA LEU A 45 10.953 0.303 4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.063 0.858 4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.406 0.011 5.547 1.00 0.00 H new ATOM 0 HG LEU A 45 8.234 2.623 5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.917 2.762 7.388 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.930 1.285 7.503 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.591 1.198 6.870 1.00 0.00 H new ATOM 0 HD21 LEU A 45 10.407 3.797 5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.128 2.284 4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.823 3.074 3.712 1.00 0.00 H new ATOM 731 N ALA A 46 9.564 -2.052 5.269 1.00 0.00 N ATOM 732 CA ALA A 46 9.404 -3.503 5.378 1.00 0.00 C ATOM 733 C ALA A 46 7.940 -3.918 5.251 1.00 0.00 C ATOM 734 O ALA A 46 7.569 -5.021 5.651 1.00 0.00 O ATOM 735 CB ALA A 46 9.936 -3.971 6.732 1.00 0.00 C ATOM 0 H ALA A 46 9.378 -1.542 6.133 1.00 0.00 H new ATOM 0 HA ALA A 46 9.964 -3.964 4.565 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.818 -5.051 6.816 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.992 -3.714 6.817 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.378 -3.482 7.531 1.00 0.00 H new ATOM 741 N LYS A 47 7.107 -3.041 4.699 1.00 0.00 N ATOM 742 CA LYS A 47 5.690 -3.359 4.546 1.00 0.00 C ATOM 743 C LYS A 47 5.018 -2.429 3.533 1.00 0.00 C ATOM 744 O LYS A 47 5.625 -1.475 3.046 1.00 0.00 O ATOM 745 CB LYS A 47 4.979 -3.273 5.911 1.00 0.00 C ATOM 746 CG LYS A 47 5.627 -2.185 6.775 1.00 0.00 C ATOM 747 CD LYS A 47 5.576 -0.839 6.049 1.00 0.00 C ATOM 748 CE LYS A 47 5.974 0.273 7.019 1.00 0.00 C ATOM 749 NZ LYS A 47 5.956 1.582 6.309 1.00 0.00 N ATOM 0 H LYS A 47 7.381 -2.120 4.355 1.00 0.00 H new ATOM 0 HA LYS A 47 5.609 -4.378 4.166 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.922 -3.051 5.766 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.036 -4.235 6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.108 -2.112 7.731 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.661 -2.451 6.993 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.250 -0.849 5.193 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.573 -0.659 5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.286 0.296 7.864 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.968 0.080 7.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.828 2.106 6.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.895 1.420 5.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.132 2.135 6.621 1.00 0.00 H new ATOM 763 N ASP A 48 3.757 -2.732 3.218 1.00 0.00 N ATOM 764 CA ASP A 48 2.982 -1.941 2.257 1.00 0.00 C ATOM 765 C ASP A 48 1.961 -1.064 2.977 1.00 0.00 C ATOM 766 O ASP A 48 1.476 -1.412 4.053 1.00 0.00 O ATOM 767 CB ASP A 48 2.254 -2.876 1.292 1.00 0.00 C ATOM 768 CG ASP A 48 3.208 -3.956 0.792 1.00 0.00 C ATOM 769 OD1 ASP A 48 4.237 -3.600 0.241 1.00 0.00 O ATOM 770 OD2 ASP A 48 2.895 -5.122 0.967 1.00 0.00 O ATOM 0 H ASP A 48 3.249 -3.522 3.615 1.00 0.00 H new ATOM 0 HA ASP A 48 3.669 -1.299 1.705 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.401 -3.336 1.792 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.861 -2.308 0.449 1.00 0.00 H new ATOM 775 N ILE A 49 1.639 0.079 2.370 1.00 0.00 N ATOM 776 CA ILE A 49 0.671 1.021 2.945 1.00 0.00 C ATOM 777 C ILE A 49 -0.547 1.133 2.030 1.00 0.00 C ATOM 778 O ILE A 49 -0.402 1.175 0.814 1.00 0.00 O ATOM 779 CB ILE A 49 1.313 2.411 3.095 1.00 0.00 C ATOM 780 CG1 ILE A 49 2.718 2.306 3.733 1.00 0.00 C ATOM 781 CG2 ILE A 49 0.411 3.308 3.951 1.00 0.00 C ATOM 782 CD1 ILE A 49 2.626 2.117 5.254 1.00 0.00 C ATOM 0 H ILE A 49 2.034 0.378 1.478 1.00 0.00 H new ATOM 0 HA ILE A 49 0.365 0.654 3.924 1.00 0.00 H new ATOM 0 HB ILE A 49 1.423 2.850 2.103 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.258 1.468 3.292 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.290 3.207 3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.869 4.292 4.055 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.562 3.410 3.471 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.284 2.861 4.937 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.630 2.047 5.673 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.107 2.968 5.696 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.076 1.202 5.474 1.00 0.00 H new ATOM 794 N CYS A 50 -1.745 1.183 2.618 1.00 0.00 N ATOM 795 CA CYS A 50 -2.985 1.291 1.835 1.00 0.00 C ATOM 796 C CYS A 50 -3.488 2.733 1.830 1.00 0.00 C ATOM 797 O CYS A 50 -3.039 3.557 2.627 1.00 0.00 O ATOM 798 CB CYS A 50 -4.056 0.383 2.438 1.00 0.00 C ATOM 799 SG CYS A 50 -3.372 -1.272 2.696 1.00 0.00 S ATOM 0 H CYS A 50 -1.886 1.151 3.628 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.778 0.984 0.810 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -4.406 0.795 3.385 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -4.919 0.332 1.775 1.00 0.00 H new ATOM 0 HG CYS A 50 -4.283 -2.043 3.211 1.00 0.00 H new ATOM 804 N ALA A 51 -4.416 3.041 0.923 1.00 0.00 N ATOM 805 CA ALA A 51 -4.953 4.398 0.833 1.00 0.00 C ATOM 806 C ALA A 51 -6.072 4.482 -0.213 1.00 0.00 C ATOM 807 O ALA A 51 -5.970 3.902 -1.290 1.00 0.00 O ATOM 808 CB ALA A 51 -3.810 5.364 0.474 1.00 0.00 C ATOM 0 H ALA A 51 -4.806 2.381 0.250 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.382 4.675 1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.200 6.379 0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.042 5.322 1.247 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.377 5.075 -0.484 1.00 0.00 H new ATOM 814 N ASP A 52 -7.134 5.222 0.115 1.00 0.00 N ATOM 815 CA ASP A 52 -8.268 5.389 -0.800 1.00 0.00 C ATOM 816 C ASP A 52 -8.129 6.700 -1.598 1.00 0.00 C ATOM 817 O ASP A 52 -7.746 7.724 -1.031 1.00 0.00 O ATOM 818 CB ASP A 52 -9.569 5.427 0.008 1.00 0.00 C ATOM 819 CG ASP A 52 -10.748 5.755 -0.902 1.00 0.00 C ATOM 820 OD1 ASP A 52 -10.745 6.829 -1.478 1.00 0.00 O ATOM 821 OD2 ASP A 52 -11.637 4.926 -1.010 1.00 0.00 O ATOM 0 H ASP A 52 -7.233 5.714 1.003 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.284 4.551 -1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.732 4.465 0.493 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.492 6.173 0.799 1.00 0.00 H new ATOM 826 N PRO A 53 -8.426 6.703 -2.887 1.00 0.00 N ATOM 827 CA PRO A 53 -8.312 7.937 -3.730 1.00 0.00 C ATOM 828 C PRO A 53 -9.367 8.984 -3.378 1.00 0.00 C ATOM 829 O PRO A 53 -10.269 9.265 -4.167 1.00 0.00 O ATOM 830 CB PRO A 53 -8.491 7.412 -5.164 1.00 0.00 C ATOM 831 CG PRO A 53 -9.321 6.181 -5.013 1.00 0.00 C ATOM 832 CD PRO A 53 -8.898 5.553 -3.685 1.00 0.00 C ATOM 0 HA PRO A 53 -7.363 8.452 -3.580 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.986 8.149 -5.797 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.530 7.188 -5.627 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.384 6.424 -5.010 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.154 5.493 -5.842 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.731 5.044 -3.200 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.110 4.813 -3.825 1.00 0.00 H new ATOM 840 N LYS A 54 -9.233 9.568 -2.191 1.00 0.00 N ATOM 841 CA LYS A 54 -10.162 10.598 -1.729 1.00 0.00 C ATOM 842 C LYS A 54 -9.409 11.634 -0.903 1.00 0.00 C ATOM 843 O LYS A 54 -9.669 12.833 -1.004 1.00 0.00 O ATOM 844 CB LYS A 54 -11.275 9.964 -0.883 1.00 0.00 C ATOM 845 CG LYS A 54 -12.307 9.297 -1.803 1.00 0.00 C ATOM 846 CD LYS A 54 -13.283 8.460 -0.971 1.00 0.00 C ATOM 847 CE LYS A 54 -14.075 7.533 -1.896 1.00 0.00 C ATOM 848 NZ LYS A 54 -14.943 6.638 -1.079 1.00 0.00 N ATOM 0 H LYS A 54 -8.489 9.346 -1.529 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.612 11.085 -2.594 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.852 9.227 -0.201 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.758 10.725 -0.270 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.852 10.057 -2.364 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.802 8.664 -2.532 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.738 7.874 -0.231 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.963 9.112 -0.423 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.685 8.121 -2.582 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.393 6.939 -2.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.481 6.008 -1.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.351 6.068 -0.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.603 7.213 -0.517 1.00 0.00 H new ATOM 862 N LYS A 55 -8.464 11.161 -0.096 1.00 0.00 N ATOM 863 CA LYS A 55 -7.663 12.056 0.734 1.00 0.00 C ATOM 864 C LYS A 55 -6.612 12.741 -0.146 1.00 0.00 C ATOM 865 O LYS A 55 -6.107 12.152 -1.099 1.00 0.00 O ATOM 866 CB LYS A 55 -7.008 11.276 1.907 1.00 0.00 C ATOM 867 CG LYS A 55 -7.516 9.824 1.915 1.00 0.00 C ATOM 868 CD LYS A 55 -7.003 9.081 3.157 1.00 0.00 C ATOM 869 CE LYS A 55 -7.561 9.717 4.444 1.00 0.00 C ATOM 870 NZ LYS A 55 -8.908 10.301 4.186 1.00 0.00 N ATOM 0 H LYS A 55 -8.235 10.172 0.001 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.302 12.820 1.177 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.923 11.291 1.805 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.245 11.759 2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.606 9.814 1.902 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.182 9.311 1.013 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.298 8.033 3.107 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.913 9.105 3.177 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.627 8.966 5.231 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.882 10.492 4.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.381 10.496 5.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.806 11.187 3.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.479 9.628 3.636 1.00 0.00 H new ATOM 884 N LYS A 56 -6.325 13.999 0.156 1.00 0.00 N ATOM 885 CA LYS A 56 -5.376 14.781 -0.637 1.00 0.00 C ATOM 886 C LYS A 56 -4.041 14.067 -0.871 1.00 0.00 C ATOM 887 O LYS A 56 -3.616 13.915 -2.016 1.00 0.00 O ATOM 888 CB LYS A 56 -5.116 16.122 0.051 1.00 0.00 C ATOM 889 CG LYS A 56 -4.458 17.089 -0.937 1.00 0.00 C ATOM 890 CD LYS A 56 -3.969 18.331 -0.191 1.00 0.00 C ATOM 891 CE LYS A 56 -3.656 19.442 -1.194 1.00 0.00 C ATOM 892 NZ LYS A 56 -3.236 20.670 -0.461 1.00 0.00 N ATOM 0 H LYS A 56 -6.733 14.503 0.943 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.834 14.925 -1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.053 16.542 0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.471 15.978 0.918 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.622 16.600 -1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.170 17.374 -1.711 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.730 18.667 0.514 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.079 18.091 0.391 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.865 19.122 -1.872 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.534 19.653 -1.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.023 21.426 -1.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.004 20.978 0.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.387 20.464 0.104 1.00 0.00 H new ATOM 906 N TRP A 57 -3.358 13.669 0.199 1.00 0.00 N ATOM 907 CA TRP A 57 -2.051 13.027 0.043 1.00 0.00 C ATOM 908 C TRP A 57 -2.120 11.798 -0.858 1.00 0.00 C ATOM 909 O TRP A 57 -1.112 11.403 -1.443 1.00 0.00 O ATOM 910 CB TRP A 57 -1.454 12.651 1.406 1.00 0.00 C ATOM 911 CG TRP A 57 -2.117 11.431 1.969 1.00 0.00 C ATOM 912 CD1 TRP A 57 -3.264 11.436 2.682 1.00 0.00 C ATOM 913 CD2 TRP A 57 -1.683 10.037 1.896 1.00 0.00 C ATOM 914 NE1 TRP A 57 -3.566 10.138 3.054 1.00 0.00 N ATOM 915 CE2 TRP A 57 -2.623 9.241 2.593 1.00 0.00 C ATOM 916 CE3 TRP A 57 -0.580 9.388 1.301 1.00 0.00 C ATOM 917 CZ2 TRP A 57 -2.476 7.858 2.699 1.00 0.00 C ATOM 918 CZ3 TRP A 57 -0.432 7.995 1.406 1.00 0.00 C ATOM 919 CH2 TRP A 57 -1.377 7.233 2.104 1.00 0.00 C ATOM 0 H TRP A 57 -3.676 13.775 1.163 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.398 13.756 -0.438 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.384 12.471 1.300 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -1.570 13.484 2.099 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.850 12.311 2.923 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.385 9.876 3.602 1.00 0.00 H new ATOM 0 HE3 TRP A 57 0.155 9.966 0.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.207 7.274 3.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 0.416 7.509 0.946 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -1.256 6.163 2.182 1.00 0.00 H new ATOM 930 N VAL A 58 -3.296 11.197 -0.980 1.00 0.00 N ATOM 931 CA VAL A 58 -3.427 10.024 -1.835 1.00 0.00 C ATOM 932 C VAL A 58 -3.409 10.440 -3.297 1.00 0.00 C ATOM 933 O VAL A 58 -2.602 9.946 -4.077 1.00 0.00 O ATOM 934 CB VAL A 58 -4.730 9.283 -1.529 1.00 0.00 C ATOM 935 CG1 VAL A 58 -4.875 8.085 -2.476 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.705 8.796 -0.078 1.00 0.00 C ATOM 0 H VAL A 58 -4.153 11.492 -0.512 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.587 9.358 -1.639 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.576 9.955 -1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.804 7.558 -2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.892 8.437 -3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.032 7.408 -2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.632 8.267 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.860 8.123 0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.605 9.651 0.591 1.00 0.00 H new ATOM 946 N GLN A 59 -4.295 11.357 -3.660 1.00 0.00 N ATOM 947 CA GLN A 59 -4.361 11.829 -5.035 1.00 0.00 C ATOM 948 C GLN A 59 -3.091 12.601 -5.391 1.00 0.00 C ATOM 949 O GLN A 59 -2.633 12.575 -6.533 1.00 0.00 O ATOM 950 CB GLN A 59 -5.602 12.722 -5.231 1.00 0.00 C ATOM 951 CG GLN A 59 -6.730 12.270 -4.287 1.00 0.00 C ATOM 952 CD GLN A 59 -8.090 12.688 -4.844 1.00 0.00 C ATOM 953 OE1 GLN A 59 -8.523 12.173 -5.876 1.00 0.00 O ATOM 954 NE2 GLN A 59 -8.791 13.594 -4.220 1.00 0.00 N ATOM 0 H GLN A 59 -4.972 11.785 -3.028 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.442 10.967 -5.698 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.346 13.763 -5.033 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.939 12.668 -6.266 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.698 11.188 -4.163 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.584 12.708 -3.300 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.430 14.019 -3.366 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.700 13.877 -4.586 1.00 0.00 H new ATOM 963 N ASP A 60 -2.536 13.294 -4.403 1.00 0.00 N ATOM 964 CA ASP A 60 -1.328 14.082 -4.614 1.00 0.00 C ATOM 965 C ASP A 60 -0.085 13.193 -4.672 1.00 0.00 C ATOM 966 O ASP A 60 0.909 13.552 -5.301 1.00 0.00 O ATOM 967 CB ASP A 60 -1.173 15.100 -3.477 1.00 0.00 C ATOM 968 CG ASP A 60 -0.225 16.220 -3.896 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.568 16.945 -4.817 1.00 0.00 O ATOM 970 OD2 ASP A 60 0.829 16.337 -3.292 1.00 0.00 O ATOM 0 H ASP A 60 -2.902 13.326 -3.451 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.424 14.598 -5.569 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.146 15.516 -3.217 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.790 14.604 -2.585 1.00 0.00 H new ATOM 975 N SER A 61 -0.137 12.046 -4.000 1.00 0.00 N ATOM 976 CA SER A 61 1.007 11.138 -3.975 1.00 0.00 C ATOM 977 C SER A 61 1.251 10.501 -5.343 1.00 0.00 C ATOM 978 O SER A 61 2.369 10.534 -5.855 1.00 0.00 O ATOM 979 CB SER A 61 0.780 10.037 -2.936 1.00 0.00 C ATOM 980 OG SER A 61 1.561 8.899 -3.281 1.00 0.00 O ATOM 0 H SER A 61 -0.948 11.725 -3.471 1.00 0.00 H new ATOM 0 HA SER A 61 1.887 11.724 -3.709 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.055 10.395 -1.944 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.276 9.770 -2.897 1.00 0.00 H new ATOM 0 HG SER A 61 1.067 8.083 -3.058 1.00 0.00 H new ATOM 986 N MET A 62 0.210 9.915 -5.932 1.00 0.00 N ATOM 987 CA MET A 62 0.360 9.277 -7.238 1.00 0.00 C ATOM 988 C MET A 62 0.607 10.325 -8.317 1.00 0.00 C ATOM 989 O MET A 62 1.339 10.078 -9.276 1.00 0.00 O ATOM 990 CB MET A 62 -0.886 8.455 -7.587 1.00 0.00 C ATOM 991 CG MET A 62 -2.149 9.269 -7.301 1.00 0.00 C ATOM 992 SD MET A 62 -3.537 8.578 -8.240 1.00 0.00 S ATOM 993 CE MET A 62 -4.184 7.498 -6.941 1.00 0.00 C ATOM 0 H MET A 62 -0.729 9.869 -5.535 1.00 0.00 H new ATOM 0 HA MET A 62 1.219 8.607 -7.190 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.859 8.168 -8.638 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.898 7.533 -7.005 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.373 9.251 -6.234 1.00 0.00 H new ATOM 0 HG3 MET A 62 -1.993 10.312 -7.576 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.038 6.939 -7.324 1.00 0.00 H new ATOM 0 HE2 MET A 62 -3.407 6.802 -6.626 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.498 8.101 -6.089 1.00 0.00 H new ATOM 1003 N LYS A 63 0.001 11.496 -8.155 1.00 0.00 N ATOM 1004 CA LYS A 63 0.178 12.568 -9.124 1.00 0.00 C ATOM 1005 C LYS A 63 1.636 13.009 -9.135 1.00 0.00 C ATOM 1006 O LYS A 63 2.220 13.246 -10.192 1.00 0.00 O ATOM 1007 CB LYS A 63 -0.729 13.753 -8.770 1.00 0.00 C ATOM 1008 CG LYS A 63 -0.441 14.947 -9.695 1.00 0.00 C ATOM 1009 CD LYS A 63 -0.529 14.512 -11.166 1.00 0.00 C ATOM 1010 CE LYS A 63 -0.736 15.736 -12.059 1.00 0.00 C ATOM 1011 NZ LYS A 63 -0.918 15.295 -13.471 1.00 0.00 N ATOM 0 H LYS A 63 -0.610 11.725 -7.371 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.094 12.205 -10.115 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.774 13.458 -8.862 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.569 14.043 -7.732 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.156 15.747 -9.501 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.551 15.348 -9.485 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.383 13.990 -11.455 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.353 13.811 -11.298 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.609 16.298 -11.727 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.122 16.404 -11.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.059 16.127 -14.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.073 14.776 -13.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.750 14.674 -13.536 1.00 0.00 H new ATOM 1025 N TYR A 64 2.220 13.100 -7.945 1.00 0.00 N ATOM 1026 CA TYR A 64 3.616 13.492 -7.816 1.00 0.00 C ATOM 1027 C TYR A 64 4.490 12.451 -8.517 1.00 0.00 C ATOM 1028 O TYR A 64 5.529 12.776 -9.091 1.00 0.00 O ATOM 1029 CB TYR A 64 3.960 13.633 -6.308 1.00 0.00 C ATOM 1030 CG TYR A 64 5.298 13.000 -5.962 1.00 0.00 C ATOM 1031 CD1 TYR A 64 6.458 13.400 -6.637 1.00 0.00 C ATOM 1032 CD2 TYR A 64 5.375 12.017 -4.965 1.00 0.00 C ATOM 1033 CE1 TYR A 64 7.690 12.818 -6.317 1.00 0.00 C ATOM 1034 CE2 TYR A 64 6.606 11.437 -4.645 1.00 0.00 C ATOM 1035 CZ TYR A 64 7.765 11.837 -5.320 1.00 0.00 C ATOM 1036 OH TYR A 64 8.981 11.265 -5.006 1.00 0.00 O ATOM 0 H TYR A 64 1.750 12.908 -7.060 1.00 0.00 H new ATOM 0 HA TYR A 64 3.802 14.455 -8.291 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.979 14.689 -6.039 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.175 13.167 -5.713 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.402 14.158 -7.405 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.481 11.707 -4.443 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.584 13.126 -6.839 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.663 10.680 -3.877 1.00 0.00 H new ATOM 0 HH TYR A 64 8.857 10.604 -4.293 1.00 0.00 H new ATOM 1046 N LEU A 65 4.046 11.200 -8.472 1.00 0.00 N ATOM 1047 CA LEU A 65 4.779 10.114 -9.111 1.00 0.00 C ATOM 1048 C LEU A 65 4.602 10.180 -10.626 1.00 0.00 C ATOM 1049 O LEU A 65 5.388 9.606 -11.380 1.00 0.00 O ATOM 1050 CB LEU A 65 4.278 8.759 -8.573 1.00 0.00 C ATOM 1051 CG LEU A 65 4.964 8.440 -7.223 1.00 0.00 C ATOM 1052 CD1 LEU A 65 4.057 7.539 -6.367 1.00 0.00 C ATOM 1053 CD2 LEU A 65 6.299 7.726 -7.483 1.00 0.00 C ATOM 0 H LEU A 65 3.187 10.914 -8.002 1.00 0.00 H new ATOM 0 HA LEU A 65 5.839 10.216 -8.881 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.196 8.787 -8.443 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.492 7.970 -9.294 1.00 0.00 H new ATOM 0 HG LEU A 65 5.145 9.372 -6.687 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.550 7.321 -5.420 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.113 8.050 -6.176 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.864 6.607 -6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.783 7.501 -6.532 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.116 6.798 -8.025 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.947 8.371 -8.076 1.00 0.00 H new ATOM 1065 N ASP A 66 3.564 10.883 -11.058 1.00 0.00 N ATOM 1066 CA ASP A 66 3.282 11.024 -12.481 1.00 0.00 C ATOM 1067 C ASP A 66 4.382 11.826 -13.173 1.00 0.00 C ATOM 1068 O ASP A 66 4.844 11.459 -14.254 1.00 0.00 O ATOM 1069 CB ASP A 66 1.932 11.727 -12.665 1.00 0.00 C ATOM 1070 CG ASP A 66 1.356 11.419 -14.045 1.00 0.00 C ATOM 1071 OD1 ASP A 66 0.909 10.301 -14.242 1.00 0.00 O ATOM 1072 OD2 ASP A 66 1.371 12.305 -14.883 1.00 0.00 O ATOM 0 H ASP A 66 2.905 11.364 -10.446 1.00 0.00 H new ATOM 0 HA ASP A 66 3.245 10.032 -12.932 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.236 11.400 -11.892 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.056 12.804 -12.548 1.00 0.00 H new ATOM 1077 N GLN A 67 4.791 12.923 -12.545 1.00 0.00 N ATOM 1078 CA GLN A 67 5.831 13.775 -13.111 1.00 0.00 C ATOM 1079 C GLN A 67 7.084 12.966 -13.432 1.00 0.00 C ATOM 1080 O GLN A 67 7.582 12.998 -14.556 1.00 0.00 O ATOM 1081 CB GLN A 67 6.181 14.892 -12.126 1.00 0.00 C ATOM 1082 CG GLN A 67 4.906 15.629 -11.713 1.00 0.00 C ATOM 1083 CD GLN A 67 5.246 16.759 -10.749 1.00 0.00 C ATOM 1084 OE1 GLN A 67 5.082 16.582 -9.467 1.00 0.00 O flip ATOM 1085 NE2 GLN A 67 5.673 17.832 -11.175 1.00 0.00 N flip ATOM 0 H GLN A 67 4.421 13.242 -11.649 1.00 0.00 H new ATOM 0 HA GLN A 67 5.451 14.208 -14.036 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.673 14.475 -11.247 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.883 15.588 -12.584 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.406 16.030 -12.595 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.211 14.934 -11.241 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.800 17.968 -12.178 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.899 18.585 -10.525 1.00 0.00 H new ATOM 1094 N LYS A 68 7.591 12.244 -12.436 1.00 0.00 N ATOM 1095 CA LYS A 68 8.791 11.434 -12.627 1.00 0.00 C ATOM 1096 C LYS A 68 8.446 10.108 -13.299 1.00 0.00 C ATOM 1097 O LYS A 68 7.284 9.833 -13.595 1.00 0.00 O ATOM 1098 CB LYS A 68 9.464 11.170 -11.277 1.00 0.00 C ATOM 1099 CG LYS A 68 8.490 10.441 -10.345 1.00 0.00 C ATOM 1100 CD LYS A 68 8.971 10.561 -8.895 1.00 0.00 C ATOM 1101 CE LYS A 68 10.322 9.859 -8.735 1.00 0.00 C ATOM 1102 NZ LYS A 68 11.404 10.731 -9.274 1.00 0.00 N ATOM 0 H LYS A 68 7.194 12.203 -11.497 1.00 0.00 H new ATOM 0 HA LYS A 68 9.477 11.983 -13.272 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.363 10.570 -11.420 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.777 12.112 -10.826 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.491 10.867 -10.443 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.418 9.391 -10.628 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.062 11.611 -8.619 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.238 10.117 -8.222 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.507 9.640 -7.683 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.313 8.905 -9.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.204 10.743 -8.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.723 10.361 -10.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.041 11.698 -9.397 1.00 0.00 H new ATOM 1116 N SER A 69 9.471 9.289 -13.538 1.00 0.00 N ATOM 1117 CA SER A 69 9.290 7.984 -14.180 1.00 0.00 C ATOM 1118 C SER A 69 9.656 6.858 -13.210 1.00 0.00 C ATOM 1119 O SER A 69 10.790 6.380 -13.214 1.00 0.00 O ATOM 1120 CB SER A 69 10.189 7.891 -15.414 1.00 0.00 C ATOM 1121 OG SER A 69 9.978 6.641 -16.056 1.00 0.00 O ATOM 0 H SER A 69 10.438 9.506 -13.296 1.00 0.00 H new ATOM 0 HA SER A 69 8.245 7.881 -14.471 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.968 8.708 -16.101 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.235 7.992 -15.124 1.00 0.00 H new ATOM 0 HG SER A 69 10.552 6.579 -16.848 1.00 0.00 H new ATOM 1127 N PRO A 70 8.734 6.430 -12.381 1.00 0.00 N ATOM 1128 CA PRO A 70 8.992 5.347 -11.393 1.00 0.00 C ATOM 1129 C PRO A 70 8.837 3.956 -12.011 1.00 0.00 C ATOM 1130 O PRO A 70 9.763 3.441 -12.639 1.00 0.00 O ATOM 1131 CB PRO A 70 7.934 5.608 -10.318 1.00 0.00 C ATOM 1132 CG PRO A 70 6.769 6.188 -11.061 1.00 0.00 C ATOM 1133 CD PRO A 70 7.347 6.924 -12.284 1.00 0.00 C ATOM 0 HA PRO A 70 10.011 5.359 -11.007 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.657 4.688 -9.804 1.00 0.00 H new ATOM 0 HB3 PRO A 70 8.303 6.298 -9.559 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.079 5.404 -11.372 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.208 6.874 -10.426 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.780 6.700 -13.188 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.318 8.005 -12.149 1.00 0.00 H new ATOM 1368 N ASP B 218 6.711 10.339 12.410 1.00 0.00 N ATOM 1369 CA ASP B 218 6.842 11.069 13.665 1.00 0.00 C ATOM 1370 C ASP B 218 7.734 10.304 14.637 1.00 0.00 C ATOM 1371 O ASP B 218 7.557 10.384 15.852 1.00 0.00 O ATOM 1372 CB ASP B 218 5.463 11.281 14.294 1.00 0.00 C ATOM 1373 CG ASP B 218 5.556 12.298 15.425 1.00 0.00 C ATOM 1374 OD1 ASP B 218 5.956 13.418 15.156 1.00 0.00 O ATOM 1375 OD2 ASP B 218 5.227 11.942 16.544 1.00 0.00 O ATOM 0 HA ASP B 218 7.297 12.037 13.455 1.00 0.00 H new ATOM 0 HB2 ASP B 218 4.759 11.629 13.538 1.00 0.00 H new ATOM 0 HB3 ASP B 218 5.079 10.335 14.675 1.00 0.00 H new ATOM 1380 N ASP B 219 8.694 9.564 14.090 1.00 0.00 N ATOM 1381 CA ASP B 219 9.613 8.785 14.916 1.00 0.00 C ATOM 1382 C ASP B 219 10.894 8.484 14.149 1.00 0.00 C ATOM 1383 O ASP B 219 11.985 8.506 14.716 1.00 0.00 O ATOM 1384 CB ASP B 219 8.949 7.474 15.342 1.00 0.00 C ATOM 1385 CG ASP B 219 7.840 7.755 16.351 1.00 0.00 C ATOM 1386 OD1 ASP B 219 8.121 8.407 17.344 1.00 0.00 O ATOM 1387 OD2 ASP B 219 6.727 7.314 16.116 1.00 0.00 O ATOM 0 H ASP B 219 8.856 9.487 13.086 1.00 0.00 H new ATOM 0 HA ASP B 219 9.862 9.369 15.802 1.00 0.00 H new ATOM 0 HB2 ASP B 219 8.538 6.965 14.470 1.00 0.00 H new ATOM 0 HB3 ASP B 219 9.691 6.807 15.781 1.00 0.00 H new ATOM 1392 N VAL B 220 10.746 8.205 12.856 1.00 0.00 N ATOM 1393 CA VAL B 220 11.888 7.897 11.994 1.00 0.00 C ATOM 1394 C VAL B 220 12.535 6.570 12.388 1.00 0.00 C ATOM 1395 O VAL B 220 12.991 5.817 11.528 1.00 0.00 O ATOM 1396 CB VAL B 220 12.928 9.022 12.060 1.00 0.00 C ATOM 1397 CG1 VAL B 220 13.909 8.880 10.893 1.00 0.00 C ATOM 1398 CG2 VAL B 220 12.222 10.380 11.968 1.00 0.00 C ATOM 0 H VAL B 220 9.844 8.186 12.380 1.00 0.00 H new ATOM 0 HA VAL B 220 11.519 7.810 10.972 1.00 0.00 H new ATOM 0 HB VAL B 220 13.471 8.957 13.003 1.00 0.00 H new ATOM 0 HG11 VAL B 220 14.648 9.680 10.940 1.00 0.00 H new ATOM 0 HG12 VAL B 220 14.413 7.916 10.957 1.00 0.00 H new ATOM 0 HG13 VAL B 220 13.365 8.944 9.951 1.00 0.00 H new ATOM 0 HG21 VAL B 220 12.962 11.179 12.015 1.00 0.00 H new ATOM 0 HG22 VAL B 220 11.678 10.444 11.026 1.00 0.00 H new ATOM 0 HG23 VAL B 220 11.523 10.484 12.798 1.00 0.00 H new ATOM 1408 N GLY B 221 12.570 6.282 13.686 1.00 0.00 N ATOM 1409 CA GLY B 221 13.161 5.039 14.165 1.00 0.00 C ATOM 1410 C GLY B 221 12.197 3.875 13.973 1.00 0.00 C ATOM 1411 O GLY B 221 12.547 2.718 14.210 1.00 0.00 O ATOM 0 H GLY B 221 12.199 6.887 14.418 1.00 0.00 H new ATOM 0 HA2 GLY B 221 14.089 4.841 13.628 1.00 0.00 H new ATOM 0 HA3 GLY B 221 13.417 5.135 15.220 1.00 0.00 H new ATOM 1415 N LEU B 222 10.980 4.191 13.542 1.00 0.00 N ATOM 1416 CA LEU B 222 9.967 3.166 13.319 1.00 0.00 C ATOM 1417 C LEU B 222 10.556 2.003 12.525 1.00 0.00 C ATOM 1418 O LEU B 222 10.261 0.838 12.798 1.00 0.00 O ATOM 1419 CB LEU B 222 8.779 3.774 12.560 1.00 0.00 C ATOM 1420 CG LEU B 222 7.760 2.686 12.183 1.00 0.00 C ATOM 1421 CD1 LEU B 222 7.342 1.897 13.431 1.00 0.00 C ATOM 1422 CD2 LEU B 222 6.528 3.353 11.563 1.00 0.00 C ATOM 0 H LEU B 222 10.673 5.143 13.341 1.00 0.00 H new ATOM 0 HA LEU B 222 9.624 2.789 14.283 1.00 0.00 H new ATOM 0 HB2 LEU B 222 8.297 4.533 13.177 1.00 0.00 H new ATOM 0 HB3 LEU B 222 9.134 4.274 11.659 1.00 0.00 H new ATOM 0 HG LEU B 222 8.212 1.999 11.468 1.00 0.00 H new ATOM 0 HD11 LEU B 222 6.620 1.130 13.151 1.00 0.00 H new ATOM 0 HD12 LEU B 222 8.219 1.426 13.874 1.00 0.00 H new ATOM 0 HD13 LEU B 222 6.889 2.574 14.155 1.00 0.00 H new ATOM 0 HD21 LEU B 222 5.799 2.590 11.292 1.00 0.00 H new ATOM 0 HD22 LEU B 222 6.084 4.039 12.284 1.00 0.00 H new ATOM 0 HD23 LEU B 222 6.824 3.905 10.671 1.00 0.00 H new ATOM 1434 N LEU B 223 11.393 2.327 11.544 1.00 0.00 N ATOM 1435 CA LEU B 223 12.020 1.302 10.717 1.00 0.00 C ATOM 1436 C LEU B 223 12.567 0.174 11.591 1.00 0.00 C ATOM 1437 O LEU B 223 13.505 0.425 12.330 1.00 0.00 O ATOM 1438 CB LEU B 223 13.158 1.930 9.892 1.00 0.00 C ATOM 1439 CG LEU B 223 13.413 1.108 8.622 1.00 0.00 C ATOM 1440 CD1 LEU B 223 14.561 1.743 7.831 1.00 0.00 C ATOM 1441 CD2 LEU B 223 13.784 -0.333 8.997 1.00 0.00 C ATOM 1442 OXT LEU B 223 12.040 -0.922 11.507 1.00 0.00 O ATOM 0 H LEU B 223 11.651 3.284 11.304 1.00 0.00 H new ATOM 0 HA LEU B 223 11.273 0.885 10.042 1.00 0.00 H new ATOM 0 HB2 LEU B 223 12.899 2.954 9.624 1.00 0.00 H new ATOM 0 HB3 LEU B 223 14.067 1.977 10.491 1.00 0.00 H new ATOM 0 HG LEU B 223 12.509 1.096 8.013 1.00 0.00 H new ATOM 0 HD11 LEU B 223 14.746 1.162 6.928 1.00 0.00 H new ATOM 0 HD12 LEU B 223 14.294 2.764 7.558 1.00 0.00 H new ATOM 0 HD13 LEU B 223 15.462 1.756 8.444 1.00 0.00 H new ATOM 0 HD21 LEU B 223 13.963 -0.910 8.090 1.00 0.00 H new ATOM 0 HD22 LEU B 223 14.686 -0.329 9.609 1.00 0.00 H new ATOM 0 HD23 LEU B 223 12.966 -0.785 9.559 1.00 0.00 H new