USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=20 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 : amide:sc= -0.729 K(o=-0.73,f=-1.5!) USER MOD Single : A 15 ASN : amide:sc= -1.93 K(o=-1.9,f=-5.3!) USER MOD Single : A 17 LYS NZ :NH3+ -161:sc= -0.0237 (180deg=-0.57) USER MOD Single : A 21 GLN : amide:sc=-0.00447 X(o=-0.0045,f=-0.0033) USER MOD Single : A 25 SER OG : rot -90:sc= -0.55 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 16:sc= 0.385 USER MOD Single : A 34 CYS SG : rot 90:sc= -2.34 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -135:sc= -3.57! (180deg=-6.19!) USER MOD Single : A 43 THR OG1 : rot -79:sc= -4.42! USER MOD Single : A 44 LYS NZ :NH3+ -108:sc= -3.56! (180deg=-6.4!) USER MOD Single : A 47 LYS NZ :NH3+ -165:sc=-0.00329 (180deg=-0.121) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 148:sc= -0.272 (180deg=-1.3!) USER MOD Single : A 55 LYS NZ :NH3+ 148:sc= -0.255 (180deg=-1.45!) USER MOD Single : A 56 LYS NZ :NH3+ -159:sc= -1.6! (180deg=-2.22!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -151:sc= 0.298 USER MOD Single : A 62 MET CE :methyl -167:sc= -0.834 (180deg=-0.996) USER MOD Single : A 63 LYS NZ :NH3+ -129:sc= -0.224 (180deg=-1.17!) 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+ 133:sc= -2.43! (180deg=-5.26!) USER MOD Single : A 69 SER OG : rot -19:sc= 0.762 USER MOD ----------------------------------------------------------------- ATOM 143 N ASN A 12 -6.741 -1.247 6.472 1.00 0.00 N ATOM 144 CA ASN A 12 -7.610 -0.433 5.630 1.00 0.00 C ATOM 145 C ASN A 12 -7.074 0.993 5.528 1.00 0.00 C ATOM 146 O ASN A 12 -6.965 1.701 6.530 1.00 0.00 O ATOM 147 CB ASN A 12 -9.038 -0.420 6.196 1.00 0.00 C ATOM 148 CG ASN A 12 -9.344 -1.755 6.865 1.00 0.00 C ATOM 149 OD1 ASN A 12 -8.777 -2.782 6.493 1.00 0.00 O ATOM 150 ND2 ASN A 12 -10.214 -1.802 7.836 1.00 0.00 N ATOM 0 HA ASN A 12 -7.630 -0.870 4.631 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.145 0.391 6.917 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -9.754 -0.232 5.396 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -10.426 -2.691 8.289 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -10.683 -0.949 8.143 1.00 0.00 H new ATOM 157 N LEU A 13 -6.745 1.403 4.310 1.00 0.00 N ATOM 158 CA LEU A 13 -6.224 2.743 4.074 1.00 0.00 C ATOM 159 C LEU A 13 -5.052 3.029 5.011 1.00 0.00 C ATOM 160 O LEU A 13 -4.377 2.108 5.474 1.00 0.00 O ATOM 161 CB LEU A 13 -7.334 3.787 4.281 1.00 0.00 C ATOM 162 CG LEU A 13 -8.688 3.217 3.835 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.730 4.339 3.835 1.00 0.00 C ATOM 164 CD2 LEU A 13 -8.577 2.618 2.421 1.00 0.00 C ATOM 0 H LEU A 13 -6.829 0.828 3.472 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.871 2.804 3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.381 4.075 5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.106 4.689 3.713 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.989 2.430 4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.694 3.940 3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.820 4.752 4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.419 5.124 3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.545 2.218 2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.270 3.394 1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.837 1.817 2.422 1.00 0.00 H new ATOM 176 N ALA A 14 -4.817 4.307 5.288 1.00 0.00 N ATOM 177 CA ALA A 14 -3.725 4.697 6.173 1.00 0.00 C ATOM 178 C ALA A 14 -3.946 6.107 6.706 1.00 0.00 C ATOM 179 O ALA A 14 -4.265 7.024 5.948 1.00 0.00 O ATOM 180 CB ALA A 14 -2.393 4.637 5.424 1.00 0.00 C ATOM 0 H ALA A 14 -5.363 5.085 4.916 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.699 4.002 7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.585 4.930 6.094 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.220 3.621 5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.423 5.317 4.573 1.00 0.00 H new ATOM 186 N ASN A 15 -3.777 6.274 8.013 1.00 0.00 N ATOM 187 CA ASN A 15 -3.961 7.577 8.634 1.00 0.00 C ATOM 188 C ASN A 15 -2.802 8.505 8.282 1.00 0.00 C ATOM 189 O ASN A 15 -1.705 8.050 7.956 1.00 0.00 O ATOM 190 CB ASN A 15 -4.051 7.423 10.154 1.00 0.00 C ATOM 191 CG ASN A 15 -2.947 6.494 10.650 1.00 0.00 C ATOM 192 OD1 ASN A 15 -1.764 6.808 10.515 1.00 0.00 O ATOM 193 ND2 ASN A 15 -3.264 5.364 11.219 1.00 0.00 N ATOM 0 H ASN A 15 -3.515 5.528 8.658 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.887 8.011 8.258 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.960 8.398 10.633 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.026 7.022 10.430 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.531 4.738 11.553 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.245 5.106 11.330 1.00 0.00 H new ATOM 200 N ARG A 16 -3.052 9.809 8.349 1.00 0.00 N ATOM 201 CA ARG A 16 -2.024 10.794 8.036 1.00 0.00 C ATOM 202 C ARG A 16 -1.562 10.652 6.587 1.00 0.00 C ATOM 203 O ARG A 16 -2.380 10.674 5.666 1.00 0.00 O ATOM 204 CB ARG A 16 -0.834 10.627 8.985 1.00 0.00 C ATOM 205 CG ARG A 16 -1.344 10.438 10.418 1.00 0.00 C ATOM 206 CD ARG A 16 -0.205 10.689 11.409 1.00 0.00 C ATOM 207 NE ARG A 16 -0.640 10.374 12.765 1.00 0.00 N ATOM 208 CZ ARG A 16 -0.783 9.115 13.168 1.00 0.00 C ATOM 209 NH1 ARG A 16 -0.531 8.136 12.344 1.00 0.00 N ATOM 210 NH2 ARG A 16 -1.174 8.860 14.386 1.00 0.00 N ATOM 0 H ARG A 16 -3.953 10.206 8.616 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.449 11.789 8.165 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.234 9.768 8.685 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.187 11.502 8.931 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.168 11.124 10.615 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.734 9.428 10.545 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.658 10.078 11.145 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.112 11.730 11.354 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.838 11.134 13.416 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.225 8.337 11.392 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.640 7.170 12.652 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.370 9.627 15.030 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.284 7.894 14.695 1.00 0.00 H new ATOM 224 N LYS A 17 -0.254 10.511 6.385 1.00 0.00 N ATOM 225 CA LYS A 17 0.285 10.374 5.035 1.00 0.00 C ATOM 226 C LYS A 17 1.677 9.751 5.056 1.00 0.00 C ATOM 227 O LYS A 17 2.424 9.906 6.021 1.00 0.00 O ATOM 228 CB LYS A 17 0.359 11.746 4.364 1.00 0.00 C ATOM 229 CG LYS A 17 1.252 12.678 5.188 1.00 0.00 C ATOM 230 CD LYS A 17 1.269 14.069 4.548 1.00 0.00 C ATOM 231 CE LYS A 17 2.436 14.881 5.115 1.00 0.00 C ATOM 232 NZ LYS A 17 2.530 14.656 6.585 1.00 0.00 N ATOM 0 H LYS A 17 0.444 10.489 7.128 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.381 9.719 4.473 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.756 11.646 3.354 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.641 12.171 4.273 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.882 12.742 6.211 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.264 12.277 5.239 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.366 13.981 3.466 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.327 14.582 4.743 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.367 14.586 4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.290 15.941 4.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.085 15.421 7.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.575 14.645 6.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.996 13.744 6.768 1.00 0.00 H new ATOM 246 N ILE A 18 2.023 9.055 3.974 1.00 0.00 N ATOM 247 CA ILE A 18 3.334 8.417 3.862 1.00 0.00 C ATOM 248 C ILE A 18 4.343 9.435 3.297 1.00 0.00 C ATOM 249 O ILE A 18 4.010 10.177 2.372 1.00 0.00 O ATOM 250 CB ILE A 18 3.211 7.179 2.924 1.00 0.00 C ATOM 251 CG1 ILE A 18 2.987 5.882 3.745 1.00 0.00 C ATOM 252 CG2 ILE A 18 4.442 7.020 2.012 1.00 0.00 C ATOM 253 CD1 ILE A 18 4.250 5.457 4.524 1.00 0.00 C ATOM 0 H ILE A 18 1.416 8.919 3.165 1.00 0.00 H new ATOM 0 HA ILE A 18 3.685 8.086 4.839 1.00 0.00 H new ATOM 0 HB ILE A 18 2.344 7.350 2.287 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.165 6.035 4.445 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.688 5.077 3.074 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.313 6.145 1.376 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.551 7.908 1.390 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.335 6.895 2.625 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.043 4.544 5.083 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.066 5.277 3.824 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.534 6.250 5.216 1.00 0.00 H new ATOM 265 N PRO A 19 5.560 9.491 3.804 1.00 0.00 N ATOM 266 CA PRO A 19 6.585 10.450 3.285 1.00 0.00 C ATOM 267 C PRO A 19 6.950 10.141 1.829 1.00 0.00 C ATOM 268 O PRO A 19 7.266 9.002 1.487 1.00 0.00 O ATOM 269 CB PRO A 19 7.783 10.252 4.231 1.00 0.00 C ATOM 270 CG PRO A 19 7.606 8.879 4.787 1.00 0.00 C ATOM 271 CD PRO A 19 6.103 8.674 4.910 1.00 0.00 C ATOM 0 HA PRO A 19 6.233 11.481 3.273 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.729 10.344 3.697 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.790 11.001 5.022 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.051 8.131 4.131 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.095 8.783 5.757 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.830 7.624 4.807 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.729 9.007 5.878 1.00 0.00 H new ATOM 279 N LEU A 20 6.889 11.162 0.979 1.00 0.00 N ATOM 280 CA LEU A 20 7.198 10.991 -0.439 1.00 0.00 C ATOM 281 C LEU A 20 8.650 10.535 -0.640 1.00 0.00 C ATOM 282 O LEU A 20 8.934 9.701 -1.501 1.00 0.00 O ATOM 283 CB LEU A 20 6.959 12.324 -1.185 1.00 0.00 C ATOM 284 CG LEU A 20 5.521 12.392 -1.716 1.00 0.00 C ATOM 285 CD1 LEU A 20 4.534 12.298 -0.552 1.00 0.00 C ATOM 286 CD2 LEU A 20 5.313 13.719 -2.450 1.00 0.00 C ATOM 0 H LEU A 20 6.630 12.112 1.244 1.00 0.00 H new ATOM 0 HA LEU A 20 6.542 10.220 -0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.145 13.162 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.663 12.416 -2.012 1.00 0.00 H new ATOM 0 HG LEU A 20 5.351 11.561 -2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.515 12.347 -0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.680 11.354 -0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.703 13.126 0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.292 13.769 -2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.486 14.546 -1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.012 13.787 -3.283 1.00 0.00 H new ATOM 298 N GLN A 21 9.561 11.106 0.140 1.00 0.00 N ATOM 299 CA GLN A 21 10.982 10.777 0.027 1.00 0.00 C ATOM 300 C GLN A 21 11.234 9.265 0.042 1.00 0.00 C ATOM 301 O GLN A 21 12.189 8.788 -0.571 1.00 0.00 O ATOM 302 CB GLN A 21 11.755 11.437 1.173 1.00 0.00 C ATOM 303 CG GLN A 21 10.990 11.241 2.482 1.00 0.00 C ATOM 304 CD GLN A 21 11.813 11.771 3.652 1.00 0.00 C ATOM 305 OE1 GLN A 21 12.049 11.051 4.622 1.00 0.00 O ATOM 306 NE2 GLN A 21 12.266 12.994 3.617 1.00 0.00 N ATOM 0 H GLN A 21 9.344 11.798 0.857 1.00 0.00 H new ATOM 0 HA GLN A 21 11.330 11.157 -0.934 1.00 0.00 H new ATOM 0 HB2 GLN A 21 12.751 11.001 1.253 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.887 12.500 0.972 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.033 11.761 2.435 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.771 10.183 2.630 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.069 13.588 2.812 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.818 13.356 4.395 1.00 0.00 H new ATOM 315 N ARG A 22 10.394 8.516 0.753 1.00 0.00 N ATOM 316 CA ARG A 22 10.563 7.060 0.849 1.00 0.00 C ATOM 317 C ARG A 22 9.641 6.335 -0.127 1.00 0.00 C ATOM 318 O ARG A 22 9.858 5.168 -0.456 1.00 0.00 O ATOM 319 CB ARG A 22 10.258 6.608 2.282 1.00 0.00 C ATOM 320 CG ARG A 22 11.334 7.159 3.250 1.00 0.00 C ATOM 321 CD ARG A 22 10.713 7.478 4.620 1.00 0.00 C ATOM 322 NE ARG A 22 11.730 7.404 5.663 1.00 0.00 N ATOM 323 CZ ARG A 22 12.266 6.241 6.019 1.00 0.00 C ATOM 324 NH1 ARG A 22 11.883 5.139 5.433 1.00 0.00 N ATOM 325 NH2 ARG A 22 13.175 6.200 6.954 1.00 0.00 N ATOM 0 H ARG A 22 9.595 8.885 1.268 1.00 0.00 H new ATOM 0 HA ARG A 22 11.593 6.812 0.591 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.272 6.962 2.582 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.235 5.519 2.332 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.134 6.428 3.368 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.784 8.059 2.830 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.270 8.474 4.604 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.909 6.775 4.836 1.00 0.00 H new ATOM 0 HE ARG A 22 12.035 8.260 6.127 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.172 5.171 4.702 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.294 4.247 5.706 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.475 7.061 7.412 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.586 5.307 7.227 1.00 0.00 H new ATOM 339 N LEU A 23 8.614 7.036 -0.583 1.00 0.00 N ATOM 340 CA LEU A 23 7.653 6.466 -1.522 1.00 0.00 C ATOM 341 C LEU A 23 8.361 6.051 -2.812 1.00 0.00 C ATOM 342 O LEU A 23 9.044 6.858 -3.445 1.00 0.00 O ATOM 343 CB LEU A 23 6.564 7.532 -1.788 1.00 0.00 C ATOM 344 CG LEU A 23 5.497 7.112 -2.834 1.00 0.00 C ATOM 345 CD1 LEU A 23 5.952 7.484 -4.262 1.00 0.00 C ATOM 346 CD2 LEU A 23 5.164 5.612 -2.739 1.00 0.00 C ATOM 0 H LEU A 23 8.422 8.002 -0.319 1.00 0.00 H new ATOM 0 HA LEU A 23 7.190 5.570 -1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.062 7.764 -0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.046 8.449 -2.127 1.00 0.00 H new ATOM 0 HG LEU A 23 4.584 7.664 -2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.188 7.180 -4.978 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.102 8.562 -4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.887 6.973 -4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.413 5.358 -3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.066 5.027 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.776 5.388 -1.745 1.00 0.00 H new ATOM 358 N GLU A 24 8.185 4.789 -3.200 1.00 0.00 N ATOM 359 CA GLU A 24 8.791 4.267 -4.424 1.00 0.00 C ATOM 360 C GLU A 24 7.792 4.351 -5.579 1.00 0.00 C ATOM 361 O GLU A 24 8.051 5.005 -6.590 1.00 0.00 O ATOM 362 CB GLU A 24 9.212 2.811 -4.213 1.00 0.00 C ATOM 363 CG GLU A 24 9.672 2.209 -5.544 1.00 0.00 C ATOM 364 CD GLU A 24 10.417 0.901 -5.295 1.00 0.00 C ATOM 365 OE1 GLU A 24 9.756 -0.106 -5.104 1.00 0.00 O ATOM 366 OE2 GLU A 24 11.637 0.927 -5.300 1.00 0.00 O ATOM 0 H GLU A 24 7.627 4.108 -2.684 1.00 0.00 H new ATOM 0 HA GLU A 24 9.669 4.865 -4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.018 2.758 -3.481 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.378 2.236 -3.811 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.811 2.030 -6.188 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.320 2.913 -6.066 1.00 0.00 H new ATOM 373 N SER A 25 6.650 3.681 -5.422 1.00 0.00 N ATOM 374 CA SER A 25 5.619 3.684 -6.459 1.00 0.00 C ATOM 375 C SER A 25 4.258 3.303 -5.874 1.00 0.00 C ATOM 376 O SER A 25 4.167 2.892 -4.718 1.00 0.00 O ATOM 377 CB SER A 25 5.991 2.698 -7.566 1.00 0.00 C ATOM 378 OG SER A 25 4.843 2.425 -8.358 1.00 0.00 O ATOM 0 H SER A 25 6.417 3.134 -4.594 1.00 0.00 H new ATOM 0 HA SER A 25 5.553 4.691 -6.872 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.785 3.113 -8.187 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.376 1.775 -7.132 1.00 0.00 H new ATOM 0 HG SER A 25 4.364 1.656 -7.985 1.00 0.00 H new ATOM 384 N TYR A 26 3.200 3.439 -6.682 1.00 0.00 N ATOM 385 CA TYR A 26 1.840 3.099 -6.238 1.00 0.00 C ATOM 386 C TYR A 26 1.287 1.929 -7.050 1.00 0.00 C ATOM 387 O TYR A 26 1.885 1.512 -8.043 1.00 0.00 O ATOM 388 CB TYR A 26 0.909 4.312 -6.387 1.00 0.00 C ATOM 389 CG TYR A 26 0.652 4.595 -7.851 1.00 0.00 C ATOM 390 CD1 TYR A 26 1.646 5.196 -8.633 1.00 0.00 C ATOM 391 CD2 TYR A 26 -0.579 4.257 -8.425 1.00 0.00 C ATOM 392 CE1 TYR A 26 1.409 5.459 -9.987 1.00 0.00 C ATOM 393 CE2 TYR A 26 -0.816 4.519 -9.780 1.00 0.00 C ATOM 394 CZ TYR A 26 0.178 5.120 -10.561 1.00 0.00 C ATOM 395 OH TYR A 26 -0.055 5.379 -11.896 1.00 0.00 O ATOM 0 H TYR A 26 3.257 3.780 -7.642 1.00 0.00 H new ATOM 0 HA TYR A 26 1.889 2.811 -5.188 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.034 4.121 -5.875 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.358 5.185 -5.913 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.596 5.457 -8.191 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.346 3.794 -7.823 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.176 5.924 -10.589 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.766 4.257 -10.222 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.958 5.081 -12.134 1.00 0.00 H new ATOM 405 N ARG A 27 0.142 1.409 -6.622 1.00 0.00 N ATOM 406 CA ARG A 27 -0.490 0.289 -7.311 1.00 0.00 C ATOM 407 C ARG A 27 -1.887 0.042 -6.750 1.00 0.00 C ATOM 408 O ARG A 27 -2.121 0.217 -5.557 1.00 0.00 O ATOM 409 CB ARG A 27 0.352 -0.981 -7.141 1.00 0.00 C ATOM 410 CG ARG A 27 -0.127 -2.079 -8.126 1.00 0.00 C ATOM 411 CD ARG A 27 -0.086 -3.454 -7.449 1.00 0.00 C ATOM 412 NE ARG A 27 -0.114 -4.512 -8.452 1.00 0.00 N ATOM 413 CZ ARG A 27 0.947 -4.771 -9.210 1.00 0.00 C ATOM 414 NH1 ARG A 27 2.038 -4.070 -9.065 1.00 0.00 N ATOM 415 NH2 ARG A 27 0.896 -5.725 -10.099 1.00 0.00 N ATOM 0 H ARG A 27 -0.367 1.744 -5.804 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.564 0.537 -8.370 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.403 -0.755 -7.320 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.274 -1.343 -6.116 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.141 -1.860 -8.460 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.507 -2.083 -9.013 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.816 -3.542 -6.843 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.935 -3.560 -6.774 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.963 -5.064 -8.574 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.076 -3.324 -8.370 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.852 -4.268 -9.646 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.042 -6.272 -10.212 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.710 -5.924 -10.681 1.00 0.00 H new ATOM 429 N ARG A 28 -2.813 -0.364 -7.614 1.00 0.00 N ATOM 430 CA ARG A 28 -4.185 -0.630 -7.183 1.00 0.00 C ATOM 431 C ARG A 28 -4.301 -2.049 -6.623 1.00 0.00 C ATOM 432 O ARG A 28 -3.531 -2.937 -6.990 1.00 0.00 O ATOM 433 CB ARG A 28 -5.150 -0.434 -8.381 1.00 0.00 C ATOM 434 CG ARG A 28 -6.262 0.566 -8.026 1.00 0.00 C ATOM 435 CD ARG A 28 -7.261 0.653 -9.183 1.00 0.00 C ATOM 436 NE ARG A 28 -6.563 0.565 -10.460 1.00 0.00 N ATOM 437 CZ ARG A 28 -7.210 0.246 -11.577 1.00 0.00 C ATOM 438 NH1 ARG A 28 -8.493 0.007 -11.542 1.00 0.00 N ATOM 439 NH2 ARG A 28 -6.564 0.173 -12.709 1.00 0.00 N ATOM 0 H ARG A 28 -2.643 -0.515 -8.608 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.456 0.069 -6.392 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.594 -0.075 -9.247 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.591 -1.391 -8.660 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.771 0.251 -7.115 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.833 1.548 -7.828 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.991 -0.152 -9.103 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.813 1.591 -9.126 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.561 0.751 -10.497 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.999 0.065 -10.658 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.990 -0.238 -12.399 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.562 0.361 -12.737 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.061 -0.072 -13.565 1.00 0.00 H new ATOM 453 N ILE A 29 -5.272 -2.251 -5.731 1.00 0.00 N ATOM 454 CA ILE A 29 -5.491 -3.564 -5.119 1.00 0.00 C ATOM 455 C ILE A 29 -6.571 -4.325 -5.890 1.00 0.00 C ATOM 456 O ILE A 29 -6.277 -5.285 -6.602 1.00 0.00 O ATOM 457 CB ILE A 29 -5.903 -3.403 -3.631 1.00 0.00 C ATOM 458 CG1 ILE A 29 -5.354 -2.076 -3.088 1.00 0.00 C ATOM 459 CG2 ILE A 29 -5.336 -4.562 -2.801 1.00 0.00 C ATOM 460 CD1 ILE A 29 -5.703 -1.938 -1.604 1.00 0.00 C ATOM 0 H ILE A 29 -5.917 -1.526 -5.417 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.562 -4.132 -5.161 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.991 -3.409 -3.561 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.273 -2.037 -3.222 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.775 -1.241 -3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.630 -4.441 -1.758 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.726 -5.506 -3.181 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.248 -4.563 -2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.311 -0.995 -1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.786 -1.956 -1.482 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.261 -2.765 -1.048 1.00 0.00 H new ATOM 472 N THR A 30 -7.819 -3.883 -5.745 1.00 0.00 N ATOM 473 CA THR A 30 -8.941 -4.521 -6.431 1.00 0.00 C ATOM 474 C THR A 30 -8.781 -6.040 -6.450 1.00 0.00 C ATOM 475 O THR A 30 -9.142 -6.700 -7.424 1.00 0.00 O ATOM 476 CB THR A 30 -9.039 -3.999 -7.867 1.00 0.00 C ATOM 477 OG1 THR A 30 -7.802 -4.212 -8.531 1.00 0.00 O ATOM 478 CG2 THR A 30 -9.360 -2.503 -7.846 1.00 0.00 C ATOM 0 H THR A 30 -8.078 -3.088 -5.161 1.00 0.00 H new ATOM 0 HA THR A 30 -9.854 -4.276 -5.888 1.00 0.00 H new ATOM 0 HB THR A 30 -9.831 -4.530 -8.395 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.263 -4.852 -8.021 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.430 -2.131 -8.868 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.310 -2.342 -7.336 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.570 -1.969 -7.319 1.00 0.00 H new ATOM 526 N CYS A 34 -10.199 -6.677 -0.995 1.00 0.00 N ATOM 527 CA CYS A 34 -9.870 -5.527 -0.160 1.00 0.00 C ATOM 528 C CYS A 34 -11.159 -4.770 0.211 1.00 0.00 C ATOM 529 O CYS A 34 -12.075 -4.684 -0.608 1.00 0.00 O ATOM 530 CB CYS A 34 -8.894 -4.605 -0.922 1.00 0.00 C ATOM 531 SG CYS A 34 -7.543 -4.071 0.163 1.00 0.00 S ATOM 0 HA CYS A 34 -9.390 -5.862 0.760 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -8.488 -5.131 -1.786 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -9.429 -3.734 -1.301 1.00 0.00 H new ATOM 0 HG CYS A 34 -6.562 -4.921 0.086 1.00 0.00 H new ATOM 536 N PRO A 35 -11.258 -4.224 1.403 1.00 0.00 N ATOM 537 CA PRO A 35 -12.471 -3.473 1.835 1.00 0.00 C ATOM 538 C PRO A 35 -13.073 -2.645 0.700 1.00 0.00 C ATOM 539 O PRO A 35 -14.293 -2.530 0.581 1.00 0.00 O ATOM 540 CB PRO A 35 -11.942 -2.578 2.956 1.00 0.00 C ATOM 541 CG PRO A 35 -10.840 -3.371 3.586 1.00 0.00 C ATOM 542 CD PRO A 35 -10.242 -4.252 2.473 1.00 0.00 C ATOM 0 HA PRO A 35 -13.280 -4.131 2.151 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.574 -1.629 2.565 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -12.724 -2.343 3.678 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -10.081 -2.712 4.009 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -11.221 -3.984 4.403 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -9.286 -3.860 2.125 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.061 -5.268 2.824 1.00 0.00 H new ATOM 550 N GLN A 36 -12.207 -2.071 -0.130 1.00 0.00 N ATOM 551 CA GLN A 36 -12.661 -1.256 -1.250 1.00 0.00 C ATOM 552 C GLN A 36 -11.479 -0.827 -2.112 1.00 0.00 C ATOM 553 O GLN A 36 -10.350 -0.732 -1.631 1.00 0.00 O ATOM 554 CB GLN A 36 -13.395 -0.017 -0.731 1.00 0.00 C ATOM 555 CG GLN A 36 -12.506 0.727 0.267 1.00 0.00 C ATOM 556 CD GLN A 36 -13.288 1.866 0.912 1.00 0.00 C ATOM 557 OE1 GLN A 36 -13.655 1.783 2.084 1.00 0.00 O ATOM 558 NE2 GLN A 36 -13.564 2.933 0.214 1.00 0.00 N ATOM 0 H GLN A 36 -11.194 -2.155 -0.049 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.342 -1.852 -1.858 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -13.654 0.639 -1.562 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.330 -0.310 -0.253 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.151 0.039 1.034 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.626 1.121 -0.241 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.259 3.000 -0.757 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.085 3.700 0.639 1.00 0.00 H new ATOM 567 N LYS A 37 -11.746 -0.565 -3.390 1.00 0.00 N ATOM 568 CA LYS A 37 -10.695 -0.143 -4.310 1.00 0.00 C ATOM 569 C LYS A 37 -9.814 0.920 -3.661 1.00 0.00 C ATOM 570 O LYS A 37 -10.311 1.832 -2.999 1.00 0.00 O ATOM 571 CB LYS A 37 -11.320 0.413 -5.591 1.00 0.00 C ATOM 572 CG LYS A 37 -10.216 0.759 -6.597 1.00 0.00 C ATOM 573 CD LYS A 37 -10.821 0.904 -7.998 1.00 0.00 C ATOM 574 CE LYS A 37 -11.985 1.896 -7.956 1.00 0.00 C ATOM 575 NZ LYS A 37 -12.325 2.323 -9.343 1.00 0.00 N ATOM 0 H LYS A 37 -12.674 -0.637 -3.808 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.077 -1.007 -4.555 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.002 -0.320 -6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.909 1.301 -5.364 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.723 1.686 -6.306 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.454 -0.021 -6.598 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.061 1.249 -8.699 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.169 -0.065 -8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.852 1.435 -7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.716 2.763 -7.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.116 2.997 -9.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.498 2.778 -9.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.599 1.492 -9.905 1.00 0.00 H new ATOM 589 N ALA A 38 -8.503 0.792 -3.844 1.00 0.00 N ATOM 590 CA ALA A 38 -7.566 1.745 -3.260 1.00 0.00 C ATOM 591 C ALA A 38 -6.206 1.655 -3.954 1.00 0.00 C ATOM 592 O ALA A 38 -5.970 0.761 -4.763 1.00 0.00 O ATOM 593 CB ALA A 38 -7.424 1.462 -1.749 1.00 0.00 C ATOM 0 H ALA A 38 -8.069 0.045 -4.387 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.948 2.756 -3.401 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.724 2.173 -1.310 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.396 1.565 -1.267 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.051 0.448 -1.602 1.00 0.00 H new ATOM 599 N VAL A 39 -5.312 2.593 -3.626 1.00 0.00 N ATOM 600 CA VAL A 39 -3.966 2.619 -4.209 1.00 0.00 C ATOM 601 C VAL A 39 -2.925 2.420 -3.108 1.00 0.00 C ATOM 602 O VAL A 39 -2.877 3.175 -2.136 1.00 0.00 O ATOM 603 CB VAL A 39 -3.731 3.946 -4.943 1.00 0.00 C ATOM 604 CG1 VAL A 39 -4.947 4.263 -5.817 1.00 0.00 C ATOM 605 CG2 VAL A 39 -3.513 5.080 -3.934 1.00 0.00 C ATOM 0 H VAL A 39 -5.495 3.344 -2.960 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.872 1.809 -4.932 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.842 3.856 -5.567 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.783 5.205 -6.340 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.090 3.464 -6.545 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.834 4.346 -5.190 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.347 6.016 -4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.393 5.176 -3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.643 4.856 -3.317 1.00 0.00 H new ATOM 615 N ILE A 40 -2.116 1.377 -3.258 1.00 0.00 N ATOM 616 CA ILE A 40 -1.095 1.041 -2.267 1.00 0.00 C ATOM 617 C ILE A 40 0.236 1.741 -2.559 1.00 0.00 C ATOM 618 O ILE A 40 0.902 1.437 -3.548 1.00 0.00 O ATOM 619 CB ILE A 40 -0.901 -0.493 -2.265 1.00 0.00 C ATOM 620 CG1 ILE A 40 -2.032 -1.153 -1.468 1.00 0.00 C ATOM 621 CG2 ILE A 40 0.448 -0.886 -1.644 1.00 0.00 C ATOM 622 CD1 ILE A 40 -2.031 -2.660 -1.735 1.00 0.00 C ATOM 0 H ILE A 40 -2.146 0.746 -4.059 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.429 1.386 -1.288 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.918 -0.836 -3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.901 -0.961 -0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.992 -0.723 -1.754 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.553 -1.971 -1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.258 -0.436 -2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.492 -0.531 -0.615 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.835 -3.130 -1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.183 -2.841 -2.799 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.075 -3.083 -1.428 1.00 0.00 H new ATOM 634 N PHE A 41 0.643 2.643 -1.659 1.00 0.00 N ATOM 635 CA PHE A 41 1.925 3.332 -1.808 1.00 0.00 C ATOM 636 C PHE A 41 3.000 2.508 -1.108 1.00 0.00 C ATOM 637 O PHE A 41 2.921 2.279 0.098 1.00 0.00 O ATOM 638 CB PHE A 41 1.887 4.725 -1.168 1.00 0.00 C ATOM 639 CG PHE A 41 0.816 5.576 -1.812 1.00 0.00 C ATOM 640 CD1 PHE A 41 0.957 6.013 -3.138 1.00 0.00 C ATOM 641 CD2 PHE A 41 -0.311 5.947 -1.073 1.00 0.00 C ATOM 642 CE1 PHE A 41 -0.033 6.816 -3.718 1.00 0.00 C ATOM 643 CE2 PHE A 41 -1.293 6.751 -1.651 1.00 0.00 C ATOM 644 CZ PHE A 41 -1.157 7.186 -2.974 1.00 0.00 C ATOM 0 H PHE A 41 0.110 2.909 -0.831 1.00 0.00 H new ATOM 0 HA PHE A 41 2.138 3.444 -2.871 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.694 4.635 -0.099 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.858 5.208 -1.277 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.828 5.730 -3.711 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.421 5.610 -0.053 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.072 7.149 -4.740 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.161 7.039 -1.076 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.920 7.807 -3.420 1.00 0.00 H new ATOM 654 N LYS A 42 3.998 2.055 -1.860 1.00 0.00 N ATOM 655 CA LYS A 42 5.073 1.249 -1.279 1.00 0.00 C ATOM 656 C LYS A 42 6.306 2.108 -1.022 1.00 0.00 C ATOM 657 O LYS A 42 6.562 3.081 -1.733 1.00 0.00 O ATOM 658 CB LYS A 42 5.426 0.091 -2.224 1.00 0.00 C ATOM 659 CG LYS A 42 5.346 0.570 -3.674 1.00 0.00 C ATOM 660 CD LYS A 42 6.036 -0.446 -4.591 1.00 0.00 C ATOM 661 CE LYS A 42 5.474 -1.848 -4.330 1.00 0.00 C ATOM 662 NZ LYS A 42 6.106 -2.415 -3.105 1.00 0.00 N ATOM 0 H LYS A 42 4.088 2.228 -2.861 1.00 0.00 H new ATOM 0 HA LYS A 42 4.730 0.843 -0.327 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.429 -0.276 -2.007 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.740 -0.742 -2.067 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.304 0.693 -3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.822 1.545 -3.772 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.882 -0.171 -5.634 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.112 -0.437 -4.415 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.392 -1.801 -4.206 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.669 -2.495 -5.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.385 -3.401 -3.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.948 -1.856 -2.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.427 -2.384 -2.318 1.00 0.00 H new ATOM 676 N THR A 43 7.064 1.737 0.004 1.00 0.00 N ATOM 677 CA THR A 43 8.275 2.468 0.369 1.00 0.00 C ATOM 678 C THR A 43 9.287 1.511 0.994 1.00 0.00 C ATOM 679 O THR A 43 8.964 0.363 1.300 1.00 0.00 O ATOM 680 CB THR A 43 7.941 3.612 1.359 1.00 0.00 C ATOM 681 OG1 THR A 43 8.883 3.612 2.423 1.00 0.00 O ATOM 682 CG2 THR A 43 6.529 3.429 1.933 1.00 0.00 C ATOM 0 H THR A 43 6.862 0.934 0.599 1.00 0.00 H new ATOM 0 HA THR A 43 8.705 2.906 -0.531 1.00 0.00 H new ATOM 0 HB THR A 43 7.987 4.561 0.824 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.649 2.912 3.067 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.310 4.241 2.627 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.802 3.440 1.121 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.471 2.476 2.460 1.00 0.00 H new ATOM 690 N LYS A 44 10.513 1.989 1.174 1.00 0.00 N ATOM 691 CA LYS A 44 11.566 1.164 1.756 1.00 0.00 C ATOM 692 C LYS A 44 11.398 1.057 3.269 1.00 0.00 C ATOM 693 O LYS A 44 12.383 0.989 4.004 1.00 0.00 O ATOM 694 CB LYS A 44 12.935 1.765 1.434 1.00 0.00 C ATOM 695 CG LYS A 44 13.126 1.822 -0.084 1.00 0.00 C ATOM 696 CD LYS A 44 14.604 2.061 -0.408 1.00 0.00 C ATOM 697 CE LYS A 44 15.104 3.306 0.332 1.00 0.00 C ATOM 698 NZ LYS A 44 15.392 2.957 1.752 1.00 0.00 N ATOM 0 H LYS A 44 10.801 2.936 0.928 1.00 0.00 H new ATOM 0 HA LYS A 44 11.495 0.165 1.326 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.013 2.766 1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.723 1.164 1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.790 0.890 -0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.517 2.621 -0.507 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.194 1.192 -0.117 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.734 2.189 -1.483 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.003 3.691 -0.149 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.354 4.096 0.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.666 3.377 2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.385 1.923 1.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.327 3.327 2.018 1.00 0.00 H new ATOM 712 N LEU A 45 10.150 1.041 3.729 1.00 0.00 N ATOM 713 CA LEU A 45 9.878 0.938 5.161 1.00 0.00 C ATOM 714 C LEU A 45 10.052 -0.513 5.621 1.00 0.00 C ATOM 715 O LEU A 45 11.115 -0.891 6.114 1.00 0.00 O ATOM 716 CB LEU A 45 8.439 1.443 5.462 1.00 0.00 C ATOM 717 CG LEU A 45 8.441 2.825 6.160 1.00 0.00 C ATOM 718 CD1 LEU A 45 9.232 2.776 7.487 1.00 0.00 C ATOM 719 CD2 LEU A 45 9.033 3.895 5.220 1.00 0.00 C ATOM 0 H LEU A 45 9.319 1.097 3.140 1.00 0.00 H new ATOM 0 HA LEU A 45 10.585 1.561 5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.876 1.508 4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.926 0.719 6.095 1.00 0.00 H new ATOM 0 HG LEU A 45 7.410 3.091 6.393 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.217 3.760 7.956 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.774 2.048 8.157 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.263 2.486 7.285 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.029 4.863 5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.057 3.625 4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.432 3.955 4.312 1.00 0.00 H new ATOM 731 N ALA A 46 9.005 -1.316 5.460 1.00 0.00 N ATOM 732 CA ALA A 46 9.066 -2.715 5.869 1.00 0.00 C ATOM 733 C ALA A 46 7.829 -3.478 5.402 1.00 0.00 C ATOM 734 O ALA A 46 7.792 -4.707 5.462 1.00 0.00 O ATOM 735 CB ALA A 46 9.178 -2.808 7.392 1.00 0.00 C ATOM 0 H ALA A 46 8.115 -1.027 5.055 1.00 0.00 H new ATOM 0 HA ALA A 46 9.945 -3.165 5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.223 -3.855 7.690 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.083 -2.297 7.722 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.308 -2.337 7.850 1.00 0.00 H new ATOM 741 N LYS A 47 6.817 -2.750 4.939 1.00 0.00 N ATOM 742 CA LYS A 47 5.588 -3.385 4.470 1.00 0.00 C ATOM 743 C LYS A 47 4.814 -2.452 3.538 1.00 0.00 C ATOM 744 O LYS A 47 5.219 -1.314 3.300 1.00 0.00 O ATOM 745 CB LYS A 47 4.712 -3.781 5.670 1.00 0.00 C ATOM 746 CG LYS A 47 4.830 -2.724 6.773 1.00 0.00 C ATOM 747 CD LYS A 47 4.456 -1.347 6.217 1.00 0.00 C ATOM 748 CE LYS A 47 4.166 -0.385 7.373 1.00 0.00 C ATOM 749 NZ LYS A 47 2.809 -0.663 7.923 1.00 0.00 N ATOM 0 H LYS A 47 6.822 -1.732 4.878 1.00 0.00 H new ATOM 0 HA LYS A 47 5.855 -4.281 3.910 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.673 -3.878 5.356 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.021 -4.754 6.052 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.175 -2.980 7.606 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.848 -2.704 7.163 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.269 -0.959 5.603 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.581 -1.430 5.572 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.917 -0.501 8.154 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.225 0.646 7.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.508 0.132 8.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.135 -0.782 7.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.836 -1.534 8.491 1.00 0.00 H new ATOM 763 N ASP A 48 3.697 -2.952 3.011 1.00 0.00 N ATOM 764 CA ASP A 48 2.862 -2.171 2.100 1.00 0.00 C ATOM 765 C ASP A 48 1.860 -1.322 2.878 1.00 0.00 C ATOM 766 O ASP A 48 1.433 -1.690 3.971 1.00 0.00 O ATOM 767 CB ASP A 48 2.110 -3.110 1.155 1.00 0.00 C ATOM 768 CG ASP A 48 1.475 -4.248 1.947 1.00 0.00 C ATOM 769 OD1 ASP A 48 2.195 -5.161 2.316 1.00 0.00 O ATOM 770 OD2 ASP A 48 0.278 -4.189 2.175 1.00 0.00 O ATOM 0 H ASP A 48 3.350 -3.893 3.199 1.00 0.00 H new ATOM 0 HA ASP A 48 3.508 -1.509 1.523 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.340 -2.557 0.616 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.795 -3.513 0.409 1.00 0.00 H new ATOM 775 N ILE A 49 1.487 -0.180 2.297 1.00 0.00 N ATOM 776 CA ILE A 49 0.529 0.734 2.927 1.00 0.00 C ATOM 777 C ILE A 49 -0.705 0.896 2.044 1.00 0.00 C ATOM 778 O ILE A 49 -0.601 0.893 0.823 1.00 0.00 O ATOM 779 CB ILE A 49 1.190 2.100 3.143 1.00 0.00 C ATOM 780 CG1 ILE A 49 2.421 1.948 4.074 1.00 0.00 C ATOM 781 CG2 ILE A 49 0.173 3.059 3.772 1.00 0.00 C ATOM 782 CD1 ILE A 49 3.699 1.760 3.245 1.00 0.00 C ATOM 0 H ILE A 49 1.833 0.135 1.391 1.00 0.00 H new ATOM 0 HA ILE A 49 0.223 0.320 3.888 1.00 0.00 H new ATOM 0 HB ILE A 49 1.522 2.500 2.185 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.517 2.830 4.707 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.281 1.094 4.736 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.639 4.032 3.928 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.683 3.169 3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.160 2.659 4.730 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.554 1.655 3.913 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.606 0.864 2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.846 2.627 2.601 1.00 0.00 H new ATOM 794 N CYS A 50 -1.874 1.037 2.667 1.00 0.00 N ATOM 795 CA CYS A 50 -3.126 1.195 1.917 1.00 0.00 C ATOM 796 C CYS A 50 -3.546 2.663 1.879 1.00 0.00 C ATOM 797 O CYS A 50 -3.050 3.478 2.656 1.00 0.00 O ATOM 798 CB CYS A 50 -4.228 0.364 2.576 1.00 0.00 C ATOM 799 SG CYS A 50 -3.593 -1.289 2.955 1.00 0.00 S ATOM 0 H CYS A 50 -1.984 1.046 3.681 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.967 0.849 0.896 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -4.570 0.852 3.489 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.089 0.291 1.912 1.00 0.00 H new ATOM 0 HG CYS A 50 -4.529 -1.995 3.517 1.00 0.00 H new ATOM 804 N ALA A 51 -4.457 2.998 0.966 1.00 0.00 N ATOM 805 CA ALA A 51 -4.919 4.378 0.839 1.00 0.00 C ATOM 806 C ALA A 51 -6.034 4.491 -0.207 1.00 0.00 C ATOM 807 O ALA A 51 -5.925 3.946 -1.303 1.00 0.00 O ATOM 808 CB ALA A 51 -3.733 5.273 0.445 1.00 0.00 C ATOM 0 H ALA A 51 -4.884 2.342 0.312 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.325 4.703 1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.072 6.305 0.349 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.962 5.215 1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.323 4.935 -0.507 1.00 0.00 H new ATOM 814 N ASP A 52 -7.101 5.212 0.143 1.00 0.00 N ATOM 815 CA ASP A 52 -8.236 5.403 -0.768 1.00 0.00 C ATOM 816 C ASP A 52 -8.108 6.745 -1.513 1.00 0.00 C ATOM 817 O ASP A 52 -7.752 7.751 -0.899 1.00 0.00 O ATOM 818 CB ASP A 52 -9.535 5.395 0.046 1.00 0.00 C ATOM 819 CG ASP A 52 -10.733 5.154 -0.866 1.00 0.00 C ATOM 820 OD1 ASP A 52 -10.799 4.088 -1.455 1.00 0.00 O ATOM 821 OD2 ASP A 52 -11.569 6.037 -0.959 1.00 0.00 O ATOM 0 H ASP A 52 -7.205 5.673 1.047 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.246 4.596 -1.501 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.489 4.618 0.809 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.651 6.346 0.566 1.00 0.00 H new ATOM 826 N PRO A 53 -8.385 6.800 -2.806 1.00 0.00 N ATOM 827 CA PRO A 53 -8.278 8.075 -3.586 1.00 0.00 C ATOM 828 C PRO A 53 -9.310 9.114 -3.147 1.00 0.00 C ATOM 829 O PRO A 53 -10.195 9.494 -3.911 1.00 0.00 O ATOM 830 CB PRO A 53 -8.489 7.634 -5.046 1.00 0.00 C ATOM 831 CG PRO A 53 -9.274 6.366 -4.956 1.00 0.00 C ATOM 832 CD PRO A 53 -8.821 5.681 -3.666 1.00 0.00 C ATOM 0 HA PRO A 53 -7.320 8.571 -3.434 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.028 8.393 -5.614 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.537 7.474 -5.552 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.344 6.570 -4.934 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.089 5.730 -5.822 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.633 5.116 -3.207 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.008 4.978 -3.850 1.00 0.00 H new ATOM 840 N LYS A 54 -9.172 9.577 -1.906 1.00 0.00 N ATOM 841 CA LYS A 54 -10.076 10.586 -1.350 1.00 0.00 C ATOM 842 C LYS A 54 -9.276 11.607 -0.550 1.00 0.00 C ATOM 843 O LYS A 54 -9.459 12.814 -0.703 1.00 0.00 O ATOM 844 CB LYS A 54 -11.114 9.931 -0.431 1.00 0.00 C ATOM 845 CG LYS A 54 -11.953 8.901 -1.206 1.00 0.00 C ATOM 846 CD LYS A 54 -12.898 9.608 -2.189 1.00 0.00 C ATOM 847 CE LYS A 54 -14.013 8.646 -2.610 1.00 0.00 C ATOM 848 NZ LYS A 54 -14.771 8.205 -1.405 1.00 0.00 N ATOM 0 H LYS A 54 -8.442 9.270 -1.264 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.591 11.080 -2.174 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.611 9.443 0.404 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.767 10.695 -0.008 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.296 8.222 -1.749 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.531 8.295 -0.508 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.326 10.496 -1.723 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.343 9.944 -3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.684 9.137 -3.315 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.589 7.782 -3.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.765 8.037 -1.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.355 7.326 -1.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.723 8.944 -0.675 1.00 0.00 H new ATOM 862 N LYS A 55 -8.386 11.110 0.302 1.00 0.00 N ATOM 863 CA LYS A 55 -7.554 11.984 1.122 1.00 0.00 C ATOM 864 C LYS A 55 -6.556 12.723 0.225 1.00 0.00 C ATOM 865 O LYS A 55 -6.127 12.201 -0.802 1.00 0.00 O ATOM 866 CB LYS A 55 -6.831 11.167 2.229 1.00 0.00 C ATOM 867 CG LYS A 55 -7.325 9.709 2.208 1.00 0.00 C ATOM 868 CD LYS A 55 -6.753 8.929 3.405 1.00 0.00 C ATOM 869 CE LYS A 55 -7.647 9.114 4.638 1.00 0.00 C ATOM 870 NZ LYS A 55 -9.035 8.673 4.321 1.00 0.00 N ATOM 0 H LYS A 55 -8.222 10.113 0.443 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.182 12.722 1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.753 11.198 2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.023 11.612 3.206 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.414 9.687 2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.023 9.230 1.277 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.680 7.870 3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.743 9.276 3.624 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.254 8.537 5.475 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.648 10.160 4.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.479 8.283 5.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.589 9.486 3.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.007 7.942 3.582 1.00 0.00 H new ATOM 884 N LYS A 56 -6.226 13.950 0.602 1.00 0.00 N ATOM 885 CA LYS A 56 -5.321 14.782 -0.191 1.00 0.00 C ATOM 886 C LYS A 56 -3.985 14.100 -0.505 1.00 0.00 C ATOM 887 O LYS A 56 -3.605 13.996 -1.671 1.00 0.00 O ATOM 888 CB LYS A 56 -5.055 16.095 0.549 1.00 0.00 C ATOM 889 CG LYS A 56 -4.446 17.115 -0.416 1.00 0.00 C ATOM 890 CD LYS A 56 -3.870 18.291 0.377 1.00 0.00 C ATOM 891 CE LYS A 56 -4.957 18.883 1.279 1.00 0.00 C ATOM 892 NZ LYS A 56 -6.247 18.931 0.535 1.00 0.00 N ATOM 0 H LYS A 56 -6.570 14.395 1.453 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.817 14.963 -1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.984 16.484 0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.378 15.922 1.386 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.662 16.645 -1.011 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.205 17.470 -1.113 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.025 17.958 0.979 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.494 19.054 -0.305 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.066 18.279 2.180 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.672 19.885 1.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.878 19.629 0.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.068 19.204 -0.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.697 17.994 0.559 1.00 0.00 H new ATOM 906 N TRP A 57 -3.253 13.678 0.523 1.00 0.00 N ATOM 907 CA TRP A 57 -1.945 13.063 0.294 1.00 0.00 C ATOM 908 C TRP A 57 -2.030 11.863 -0.644 1.00 0.00 C ATOM 909 O TRP A 57 -1.041 11.502 -1.281 1.00 0.00 O ATOM 910 CB TRP A 57 -1.290 12.650 1.618 1.00 0.00 C ATOM 911 CG TRP A 57 -1.933 11.414 2.168 1.00 0.00 C ATOM 912 CD1 TRP A 57 -3.043 11.398 2.939 1.00 0.00 C ATOM 913 CD2 TRP A 57 -1.517 10.022 2.018 1.00 0.00 C ATOM 914 NE1 TRP A 57 -3.336 10.089 3.273 1.00 0.00 N ATOM 915 CE2 TRP A 57 -2.426 9.204 2.729 1.00 0.00 C ATOM 916 CE3 TRP A 57 -0.451 9.395 1.343 1.00 0.00 C ATOM 917 CZ2 TRP A 57 -2.286 7.817 2.768 1.00 0.00 C ATOM 918 CZ3 TRP A 57 -0.308 7.999 1.381 1.00 0.00 C ATOM 919 CH2 TRP A 57 -1.224 7.211 2.093 1.00 0.00 C ATOM 0 H TRP A 57 -3.533 13.747 1.501 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.324 13.819 -0.187 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.226 12.473 1.463 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -1.376 13.462 2.340 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.609 12.266 3.244 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.129 9.810 3.851 1.00 0.00 H new ATOM 0 HE3 TRP A 57 0.261 9.992 0.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -2.995 7.215 3.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 0.512 7.529 0.859 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -1.108 6.138 2.119 1.00 0.00 H new ATOM 930 N VAL A 58 -3.201 11.248 -0.739 1.00 0.00 N ATOM 931 CA VAL A 58 -3.351 10.099 -1.622 1.00 0.00 C ATOM 932 C VAL A 58 -3.378 10.555 -3.073 1.00 0.00 C ATOM 933 O VAL A 58 -2.594 10.081 -3.890 1.00 0.00 O ATOM 934 CB VAL A 58 -4.643 9.341 -1.300 1.00 0.00 C ATOM 935 CG1 VAL A 58 -4.844 8.199 -2.305 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.552 8.765 0.116 1.00 0.00 C ATOM 0 H VAL A 58 -4.043 11.517 -0.229 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.502 9.434 -1.468 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.488 10.026 -1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.764 7.665 -2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.910 8.609 -3.313 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.000 7.511 -2.248 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.470 8.225 0.349 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.704 8.083 0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.417 9.577 0.831 1.00 0.00 H new ATOM 946 N GLN A 59 -4.283 11.476 -3.387 1.00 0.00 N ATOM 947 CA GLN A 59 -4.401 11.982 -4.749 1.00 0.00 C ATOM 948 C GLN A 59 -3.121 12.703 -5.171 1.00 0.00 C ATOM 949 O GLN A 59 -2.745 12.684 -6.343 1.00 0.00 O ATOM 950 CB GLN A 59 -5.604 12.937 -4.860 1.00 0.00 C ATOM 951 CG GLN A 59 -6.756 12.457 -3.950 1.00 0.00 C ATOM 952 CD GLN A 59 -8.106 12.881 -4.528 1.00 0.00 C ATOM 953 OE1 GLN A 59 -8.430 14.068 -4.546 1.00 0.00 O ATOM 954 NE2 GLN A 59 -8.914 11.973 -5.004 1.00 0.00 N ATOM 0 H GLN A 59 -4.940 11.884 -2.723 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.557 11.134 -5.416 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.304 13.946 -4.576 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.945 12.985 -5.894 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.721 11.372 -3.850 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.635 12.873 -2.950 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.643 10.990 -4.988 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.817 12.247 -5.392 1.00 0.00 H new ATOM 963 N ASP A 60 -2.470 13.350 -4.213 1.00 0.00 N ATOM 964 CA ASP A 60 -1.245 14.090 -4.496 1.00 0.00 C ATOM 965 C ASP A 60 -0.056 13.154 -4.710 1.00 0.00 C ATOM 966 O ASP A 60 0.877 13.490 -5.438 1.00 0.00 O ATOM 967 CB ASP A 60 -0.938 15.041 -3.338 1.00 0.00 C ATOM 968 CG ASP A 60 0.079 16.090 -3.775 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.241 16.861 -4.665 1.00 0.00 O ATOM 970 OD2 ASP A 60 1.162 16.107 -3.213 1.00 0.00 O ATOM 0 H ASP A 60 -2.767 13.378 -3.238 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.403 14.654 -5.415 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.854 15.528 -3.005 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.550 14.479 -2.489 1.00 0.00 H new ATOM 975 N SER A 61 -0.078 11.990 -4.064 1.00 0.00 N ATOM 976 CA SER A 61 1.029 11.043 -4.194 1.00 0.00 C ATOM 977 C SER A 61 1.090 10.440 -5.598 1.00 0.00 C ATOM 978 O SER A 61 2.144 10.459 -6.235 1.00 0.00 O ATOM 979 CB SER A 61 0.892 9.924 -3.159 1.00 0.00 C ATOM 980 OG SER A 61 1.659 8.805 -3.580 1.00 0.00 O ATOM 0 H SER A 61 -0.836 11.683 -3.455 1.00 0.00 H new ATOM 0 HA SER A 61 1.954 11.592 -4.019 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.235 10.270 -2.184 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.155 9.642 -3.047 1.00 0.00 H new ATOM 0 HG SER A 61 1.250 7.982 -3.241 1.00 0.00 H new ATOM 986 N MET A 62 -0.030 9.906 -6.082 1.00 0.00 N ATOM 987 CA MET A 62 -0.050 9.311 -7.418 1.00 0.00 C ATOM 988 C MET A 62 0.250 10.379 -8.466 1.00 0.00 C ATOM 989 O MET A 62 1.005 10.143 -9.410 1.00 0.00 O ATOM 990 CB MET A 62 -1.412 8.659 -7.702 1.00 0.00 C ATOM 991 CG MET A 62 -2.531 9.508 -7.099 1.00 0.00 C ATOM 992 SD MET A 62 -4.098 9.101 -7.905 1.00 0.00 S ATOM 993 CE MET A 62 -4.557 7.735 -6.811 1.00 0.00 C ATOM 0 H MET A 62 -0.918 9.872 -5.582 1.00 0.00 H new ATOM 0 HA MET A 62 0.717 8.538 -7.465 1.00 0.00 H new ATOM 0 HB2 MET A 62 -1.559 8.558 -8.777 1.00 0.00 H new ATOM 0 HB3 MET A 62 -1.439 7.654 -7.281 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.603 9.325 -6.027 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.308 10.567 -7.228 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.382 7.177 -7.253 1.00 0.00 H new ATOM 0 HE2 MET A 62 -3.701 7.073 -6.677 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.864 8.131 -5.843 1.00 0.00 H new ATOM 1003 N LYS A 63 -0.339 11.557 -8.287 1.00 0.00 N ATOM 1004 CA LYS A 63 -0.120 12.660 -9.215 1.00 0.00 C ATOM 1005 C LYS A 63 1.360 13.027 -9.236 1.00 0.00 C ATOM 1006 O LYS A 63 1.942 13.262 -10.295 1.00 0.00 O ATOM 1007 CB LYS A 63 -0.956 13.872 -8.782 1.00 0.00 C ATOM 1008 CG LYS A 63 -0.612 15.102 -9.638 1.00 0.00 C ATOM 1009 CD LYS A 63 -0.742 14.762 -11.128 1.00 0.00 C ATOM 1010 CE LYS A 63 -0.887 16.051 -11.942 1.00 0.00 C ATOM 1011 NZ LYS A 63 -2.132 16.759 -11.532 1.00 0.00 N ATOM 0 H LYS A 63 -0.968 11.771 -7.513 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.425 12.357 -10.217 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.017 13.641 -8.878 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.771 14.091 -7.730 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.278 15.927 -9.386 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.403 15.434 -9.420 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.135 14.207 -11.462 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.607 14.119 -11.290 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.021 16.694 -11.783 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.921 15.820 -13.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.693 16.991 -12.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.689 16.146 -10.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.884 17.635 -11.030 1.00 0.00 H new ATOM 1025 N TYR A 64 1.960 13.062 -8.052 1.00 0.00 N ATOM 1026 CA TYR A 64 3.375 13.388 -7.923 1.00 0.00 C ATOM 1027 C TYR A 64 4.212 12.381 -8.718 1.00 0.00 C ATOM 1028 O TYR A 64 5.185 12.749 -9.375 1.00 0.00 O ATOM 1029 CB TYR A 64 3.750 13.383 -6.419 1.00 0.00 C ATOM 1030 CG TYR A 64 5.167 12.883 -6.191 1.00 0.00 C ATOM 1031 CD1 TYR A 64 6.225 13.401 -6.946 1.00 0.00 C ATOM 1032 CD2 TYR A 64 5.414 11.899 -5.223 1.00 0.00 C ATOM 1033 CE1 TYR A 64 7.529 12.938 -6.734 1.00 0.00 C ATOM 1034 CE2 TYR A 64 6.717 11.436 -5.011 1.00 0.00 C ATOM 1035 CZ TYR A 64 7.775 11.955 -5.766 1.00 0.00 C ATOM 1036 OH TYR A 64 9.060 11.498 -5.559 1.00 0.00 O ATOM 0 H TYR A 64 1.489 12.869 -7.168 1.00 0.00 H new ATOM 0 HA TYR A 64 3.579 14.379 -8.329 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.651 14.391 -6.017 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.050 12.752 -5.872 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.036 14.158 -7.692 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.598 11.498 -4.641 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.346 13.338 -7.317 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.906 10.678 -4.265 1.00 0.00 H new ATOM 0 HH TYR A 64 9.056 10.819 -4.852 1.00 0.00 H new ATOM 1046 N LEU A 65 3.828 11.114 -8.643 1.00 0.00 N ATOM 1047 CA LEU A 65 4.550 10.063 -9.350 1.00 0.00 C ATOM 1048 C LEU A 65 4.307 10.156 -10.851 1.00 0.00 C ATOM 1049 O LEU A 65 5.073 9.618 -11.650 1.00 0.00 O ATOM 1050 CB LEU A 65 4.097 8.691 -8.838 1.00 0.00 C ATOM 1051 CG LEU A 65 4.587 8.490 -7.379 1.00 0.00 C ATOM 1052 CD1 LEU A 65 3.686 7.475 -6.627 1.00 0.00 C ATOM 1053 CD2 LEU A 65 6.059 7.993 -7.386 1.00 0.00 C ATOM 0 H LEU A 65 3.026 10.789 -8.103 1.00 0.00 H new ATOM 0 HA LEU A 65 5.616 10.190 -9.163 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.010 8.617 -8.881 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.496 7.904 -9.478 1.00 0.00 H new ATOM 0 HG LEU A 65 4.529 9.446 -6.859 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.050 7.351 -5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.661 7.845 -6.604 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.713 6.514 -7.141 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.401 7.853 -6.360 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.121 7.046 -7.922 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.690 8.731 -7.881 1.00 0.00 H new ATOM 1065 N ASP A 66 3.235 10.838 -11.226 1.00 0.00 N ATOM 1066 CA ASP A 66 2.894 10.995 -12.633 1.00 0.00 C ATOM 1067 C ASP A 66 3.919 11.873 -13.344 1.00 0.00 C ATOM 1068 O ASP A 66 4.205 11.678 -14.525 1.00 0.00 O ATOM 1069 CB ASP A 66 1.502 11.620 -12.751 1.00 0.00 C ATOM 1070 CG ASP A 66 0.921 11.360 -14.138 1.00 0.00 C ATOM 1071 OD1 ASP A 66 0.659 10.208 -14.444 1.00 0.00 O ATOM 1072 OD2 ASP A 66 0.747 12.317 -14.874 1.00 0.00 O ATOM 0 H ASP A 66 2.589 11.290 -10.579 1.00 0.00 H new ATOM 0 HA ASP A 66 2.898 10.013 -13.107 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.843 11.203 -11.989 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.561 12.693 -12.569 1.00 0.00 H new ATOM 1077 N GLN A 67 4.467 12.842 -12.618 1.00 0.00 N ATOM 1078 CA GLN A 67 5.459 13.745 -13.191 1.00 0.00 C ATOM 1079 C GLN A 67 6.723 12.983 -13.576 1.00 0.00 C ATOM 1080 O GLN A 67 7.183 13.061 -14.716 1.00 0.00 O ATOM 1081 CB GLN A 67 5.809 14.843 -12.186 1.00 0.00 C ATOM 1082 CG GLN A 67 4.528 15.534 -11.717 1.00 0.00 C ATOM 1083 CD GLN A 67 4.865 16.646 -10.730 1.00 0.00 C ATOM 1084 OE1 GLN A 67 4.927 16.376 -9.455 1.00 0.00 O flip ATOM 1085 NE2 GLN A 67 5.080 17.790 -11.131 1.00 0.00 N flip ATOM 0 H GLN A 67 4.243 13.022 -11.639 1.00 0.00 H new ATOM 0 HA GLN A 67 5.034 14.195 -14.088 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.337 14.415 -11.334 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.480 15.570 -12.644 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.993 15.946 -12.573 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.865 14.808 -11.247 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.031 17.999 -12.128 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.307 18.529 -10.466 1.00 0.00 H new ATOM 1094 N LYS A 68 7.283 12.249 -12.619 1.00 0.00 N ATOM 1095 CA LYS A 68 8.497 11.480 -12.869 1.00 0.00 C ATOM 1096 C LYS A 68 8.171 10.178 -13.596 1.00 0.00 C ATOM 1097 O LYS A 68 8.997 9.647 -14.338 1.00 0.00 O ATOM 1098 CB LYS A 68 9.207 11.171 -11.547 1.00 0.00 C ATOM 1099 CG LYS A 68 8.262 10.401 -10.617 1.00 0.00 C ATOM 1100 CD LYS A 68 8.776 10.474 -9.174 1.00 0.00 C ATOM 1101 CE LYS A 68 10.118 9.743 -9.063 1.00 0.00 C ATOM 1102 NZ LYS A 68 11.202 10.607 -9.609 1.00 0.00 N ATOM 0 H LYS A 68 6.918 12.171 -11.670 1.00 0.00 H new ATOM 0 HA LYS A 68 9.156 12.077 -13.500 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.106 10.583 -11.735 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.526 12.098 -11.070 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.258 10.821 -10.676 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.192 9.361 -10.935 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.892 11.515 -8.872 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.050 10.025 -8.496 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.325 9.497 -8.022 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.078 8.802 -9.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.005 10.617 -8.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.515 10.233 -10.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.844 11.576 -9.734 1.00 0.00 H new ATOM 1116 N SER A 69 6.959 9.671 -13.386 1.00 0.00 N ATOM 1117 CA SER A 69 6.538 8.433 -14.036 1.00 0.00 C ATOM 1118 C SER A 69 7.579 7.331 -13.829 1.00 0.00 C ATOM 1119 O SER A 69 8.446 7.128 -14.678 1.00 0.00 O ATOM 1120 CB SER A 69 6.355 8.677 -15.534 1.00 0.00 C ATOM 1121 OG SER A 69 5.582 9.855 -15.727 1.00 0.00 O ATOM 0 H SER A 69 6.258 10.093 -12.777 1.00 0.00 H new ATOM 0 HA SER A 69 5.595 8.114 -13.592 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.326 8.782 -16.018 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.859 7.823 -15.995 1.00 0.00 H new ATOM 0 HG SER A 69 5.102 10.071 -14.900 1.00 0.00 H new ATOM 1127 N PRO A 70 7.521 6.624 -12.725 1.00 0.00 N ATOM 1128 CA PRO A 70 8.487 5.532 -12.422 1.00 0.00 C ATOM 1129 C PRO A 70 8.072 4.204 -13.056 1.00 0.00 C ATOM 1130 O PRO A 70 6.885 3.899 -13.161 1.00 0.00 O ATOM 1131 CB PRO A 70 8.443 5.459 -10.895 1.00 0.00 C ATOM 1132 CG PRO A 70 7.032 5.821 -10.540 1.00 0.00 C ATOM 1133 CD PRO A 70 6.532 6.778 -11.640 1.00 0.00 C ATOM 0 HA PRO A 70 9.483 5.724 -12.821 1.00 0.00 H new ATOM 0 HB2 PRO A 70 8.698 4.461 -10.538 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.155 6.150 -10.444 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.405 4.931 -10.487 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.989 6.300 -9.562 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.529 6.513 -11.974 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.488 7.807 -11.284 1.00 0.00 H new ATOM 1368 N ASP B 218 7.850 10.586 12.624 1.00 0.00 N ATOM 1369 CA ASP B 218 8.626 11.620 13.299 1.00 0.00 C ATOM 1370 C ASP B 218 9.646 10.995 14.245 1.00 0.00 C ATOM 1371 O ASP B 218 10.642 11.623 14.603 1.00 0.00 O ATOM 1372 CB ASP B 218 7.693 12.542 14.086 1.00 0.00 C ATOM 1373 CG ASP B 218 8.470 13.746 14.609 1.00 0.00 C ATOM 1374 OD1 ASP B 218 8.927 14.530 13.793 1.00 0.00 O ATOM 1375 OD2 ASP B 218 8.595 13.867 15.816 1.00 0.00 O ATOM 0 HA ASP B 218 9.158 12.200 12.544 1.00 0.00 H new ATOM 0 HB2 ASP B 218 6.875 12.876 13.448 1.00 0.00 H new ATOM 0 HB3 ASP B 218 7.247 11.997 14.918 1.00 0.00 H new ATOM 1380 N ASP B 219 9.389 9.755 14.648 1.00 0.00 N ATOM 1381 CA ASP B 219 10.292 9.055 15.555 1.00 0.00 C ATOM 1382 C ASP B 219 11.511 8.530 14.803 1.00 0.00 C ATOM 1383 O ASP B 219 12.597 8.411 15.369 1.00 0.00 O ATOM 1384 CB ASP B 219 9.560 7.889 16.224 1.00 0.00 C ATOM 1385 CG ASP B 219 8.572 8.420 17.258 1.00 0.00 C ATOM 1386 OD1 ASP B 219 8.946 9.308 18.006 1.00 0.00 O ATOM 1387 OD2 ASP B 219 7.456 7.929 17.286 1.00 0.00 O ATOM 0 H ASP B 219 8.570 9.218 14.364 1.00 0.00 H new ATOM 0 HA ASP B 219 10.627 9.759 16.317 1.00 0.00 H new ATOM 0 HB2 ASP B 219 9.033 7.301 15.473 1.00 0.00 H new ATOM 0 HB3 ASP B 219 10.279 7.224 16.703 1.00 0.00 H new ATOM 1392 N VAL B 220 11.322 8.219 13.524 1.00 0.00 N ATOM 1393 CA VAL B 220 12.411 7.707 12.697 1.00 0.00 C ATOM 1394 C VAL B 220 12.930 6.384 13.251 1.00 0.00 C ATOM 1395 O VAL B 220 12.713 5.325 12.660 1.00 0.00 O ATOM 1396 CB VAL B 220 13.554 8.725 12.646 1.00 0.00 C ATOM 1397 CG1 VAL B 220 14.506 8.371 11.502 1.00 0.00 C ATOM 1398 CG2 VAL B 220 12.979 10.124 12.416 1.00 0.00 C ATOM 0 H VAL B 220 10.429 8.312 13.039 1.00 0.00 H new ATOM 0 HA VAL B 220 12.028 7.541 11.690 1.00 0.00 H new ATOM 0 HB VAL B 220 14.099 8.705 13.590 1.00 0.00 H new ATOM 0 HG11 VAL B 220 15.319 9.097 11.467 1.00 0.00 H new ATOM 0 HG12 VAL B 220 14.916 7.374 11.665 1.00 0.00 H new ATOM 0 HG13 VAL B 220 13.962 8.390 10.557 1.00 0.00 H new ATOM 0 HG21 VAL B 220 13.791 10.850 12.379 1.00 0.00 H new ATOM 0 HG22 VAL B 220 12.433 10.142 11.473 1.00 0.00 H new ATOM 0 HG23 VAL B 220 12.302 10.378 13.232 1.00 0.00 H new ATOM 1408 N GLY B 221 13.615 6.448 14.388 1.00 0.00 N ATOM 1409 CA GLY B 221 14.158 5.248 15.011 1.00 0.00 C ATOM 1410 C GLY B 221 13.089 4.168 15.138 1.00 0.00 C ATOM 1411 O GLY B 221 13.388 3.020 15.470 1.00 0.00 O ATOM 0 H GLY B 221 13.806 7.313 14.894 1.00 0.00 H new ATOM 0 HA2 GLY B 221 14.992 4.872 14.419 1.00 0.00 H new ATOM 0 HA3 GLY B 221 14.552 5.492 15.997 1.00 0.00 H new ATOM 1415 N LEU B 222 11.841 4.543 14.871 1.00 0.00 N ATOM 1416 CA LEU B 222 10.731 3.599 14.957 1.00 0.00 C ATOM 1417 C LEU B 222 11.107 2.272 14.298 1.00 0.00 C ATOM 1418 O LEU B 222 11.104 1.224 14.944 1.00 0.00 O ATOM 1419 CB LEU B 222 9.491 4.199 14.273 1.00 0.00 C ATOM 1420 CG LEU B 222 8.208 3.576 14.843 1.00 0.00 C ATOM 1421 CD1 LEU B 222 6.991 4.282 14.236 1.00 0.00 C ATOM 1422 CD2 LEU B 222 8.158 2.079 14.504 1.00 0.00 C ATOM 0 H LEU B 222 11.574 5.488 14.595 1.00 0.00 H new ATOM 0 HA LEU B 222 10.506 3.410 16.007 1.00 0.00 H new ATOM 0 HB2 LEU B 222 9.474 5.279 14.420 1.00 0.00 H new ATOM 0 HB3 LEU B 222 9.541 4.024 13.198 1.00 0.00 H new ATOM 0 HG LEU B 222 8.199 3.695 15.926 1.00 0.00 H new ATOM 0 HD11 LEU B 222 6.078 3.843 14.638 1.00 0.00 H new ATOM 0 HD12 LEU B 222 7.024 5.343 14.485 1.00 0.00 H new ATOM 0 HD13 LEU B 222 7.004 4.163 13.153 1.00 0.00 H new ATOM 0 HD21 LEU B 222 7.245 1.644 14.911 1.00 0.00 H new ATOM 0 HD22 LEU B 222 8.169 1.950 13.422 1.00 0.00 H new ATOM 0 HD23 LEU B 222 9.024 1.579 14.938 1.00 0.00 H new ATOM 1434 N LEU B 223 11.433 2.327 13.010 1.00 0.00 N ATOM 1435 CA LEU B 223 11.812 1.123 12.277 1.00 0.00 C ATOM 1436 C LEU B 223 12.931 0.389 13.009 1.00 0.00 C ATOM 1437 O LEU B 223 12.869 -0.828 13.072 1.00 0.00 O ATOM 1438 CB LEU B 223 12.271 1.500 10.859 1.00 0.00 C ATOM 1439 CG LEU B 223 12.557 0.222 10.018 1.00 0.00 C ATOM 1440 CD1 LEU B 223 12.099 0.432 8.569 1.00 0.00 C ATOM 1441 CD2 LEU B 223 14.063 -0.095 10.014 1.00 0.00 C ATOM 1442 OXT LEU B 223 13.831 1.053 13.495 1.00 0.00 O ATOM 0 H LEU B 223 11.443 3.184 12.456 1.00 0.00 H new ATOM 0 HA LEU B 223 10.947 0.463 12.210 1.00 0.00 H new ATOM 0 HB2 LEU B 223 11.503 2.100 10.370 1.00 0.00 H new ATOM 0 HB3 LEU B 223 13.169 2.115 10.913 1.00 0.00 H new ATOM 0 HG LEU B 223 12.010 -0.607 10.467 1.00 0.00 H new ATOM 0 HD11 LEU B 223 12.303 -0.468 7.989 1.00 0.00 H new ATOM 0 HD12 LEU B 223 11.029 0.639 8.552 1.00 0.00 H new ATOM 0 HD13 LEU B 223 12.639 1.274 8.135 1.00 0.00 H new ATOM 0 HD21 LEU B 223 14.245 -0.992 9.421 1.00 0.00 H new ATOM 0 HD22 LEU B 223 14.610 0.743 9.582 1.00 0.00 H new ATOM 0 HD23 LEU B 223 14.403 -0.261 11.036 1.00 0.00 H new