USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 612 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 ASN : amide:sc= -0.803 K(o=-2.3,f=-4.4!) USER MOD Set 1.2: A 59 GLN :FLIP amide:sc= -1.53 F(o=-3.6!,f=-2.3) USER MOD Set 2.1: A 16 ASN : amide:sc= 0.152 K(o=-2.6,f=-4.1) USER MOD Set 2.2: A 85 LYS NZ :NH3+ -177:sc= -2.75! (180deg=-2.98!) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 23:sc= -1.52 USER MOD Single : A 20 HIS : no HD1:sc= -1.12 X(o=-1.1,f=-1) USER MOD Single : A 21 THR OG1 : rot 86:sc= 0.39 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0265 X(o=-0.026,f=-0.51) USER MOD Single : A 52 ASN : amide:sc= -4.27! C(o=-4.3!,f=-7.2!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -112:sc= 0 (180deg=-0.0148) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0481 F(o=-1.1,f=-0.048) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -1.69 K(o=-1.7,f=-3) USER MOD Single : A 75 SER OG : rot 95:sc= 1.04 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 163:sc= -1.85 (180deg=-2.51) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 129 N MET A 9 1.887 12.882 5.354 1.00 1.00 N ATOM 130 CA MET A 9 1.685 11.471 5.049 1.00 1.00 C ATOM 131 C MET A 9 1.998 11.192 3.579 1.00 1.00 C ATOM 132 O MET A 9 1.764 12.036 2.714 1.00 1.00 O ATOM 133 CB MET A 9 0.239 11.069 5.375 1.00 1.00 C ATOM 134 CG MET A 9 -0.705 11.514 4.252 1.00 1.00 C ATOM 135 SD MET A 9 -0.372 13.242 3.823 1.00 1.00 S ATOM 136 CE MET A 9 -1.699 13.979 4.805 1.00 1.00 C ATOM 0 HA MET A 9 2.363 10.877 5.662 1.00 1.00 H new ATOM 0 HB2 MET A 9 0.176 9.989 5.505 1.00 1.00 H new ATOM 0 HB3 MET A 9 -0.068 11.522 6.318 1.00 1.00 H new ATOM 0 HG2 MET A 9 -0.569 10.879 3.376 1.00 1.00 H new ATOM 0 HG3 MET A 9 -1.742 11.401 4.569 1.00 1.00 H new ATOM 0 HE1 MET A 9 -1.680 15.062 4.687 1.00 1.00 H new ATOM 0 HE2 MET A 9 -2.660 13.593 4.465 1.00 1.00 H new ATOM 0 HE3 MET A 9 -1.558 13.726 5.856 1.00 1.00 H new ATOM 146 N ASP A 10 2.533 10.005 3.301 1.00 1.00 N ATOM 147 CA ASP A 10 2.875 9.638 1.932 1.00 1.00 C ATOM 148 C ASP A 10 3.364 8.194 1.865 1.00 1.00 C ATOM 149 O ASP A 10 4.283 7.873 1.113 1.00 1.00 O ATOM 150 CB ASP A 10 3.964 10.571 1.399 1.00 1.00 C ATOM 151 CG ASP A 10 5.056 10.743 2.449 1.00 1.00 C ATOM 152 OD1 ASP A 10 5.087 9.953 3.379 1.00 1.00 O ATOM 153 OD2 ASP A 10 5.844 11.664 2.312 1.00 1.00 O ATOM 0 H ASP A 10 2.737 9.289 3.998 1.00 1.00 H new ATOM 0 HA ASP A 10 1.979 9.733 1.318 1.00 1.00 H new ATOM 0 HB2 ASP A 10 4.389 10.162 0.482 1.00 1.00 H new ATOM 0 HB3 ASP A 10 3.534 11.540 1.146 1.00 1.00 H new ATOM 158 N THR A 11 2.744 7.331 2.662 1.00 1.00 N ATOM 159 CA THR A 11 3.122 5.923 2.691 1.00 1.00 C ATOM 160 C THR A 11 1.935 5.061 3.110 1.00 1.00 C ATOM 161 O THR A 11 1.182 5.424 4.015 1.00 1.00 O ATOM 162 CB THR A 11 4.284 5.721 3.671 1.00 1.00 C ATOM 163 OG1 THR A 11 5.511 5.980 3.003 1.00 1.00 O ATOM 164 CG2 THR A 11 4.283 4.284 4.199 1.00 1.00 C ATOM 0 H THR A 11 1.982 7.579 3.293 1.00 1.00 H new ATOM 0 HA THR A 11 3.435 5.622 1.691 1.00 1.00 H new ATOM 0 HB THR A 11 4.169 6.407 4.510 1.00 1.00 H new ATOM 0 HG1 THR A 11 5.347 6.561 2.231 1.00 1.00 H new ATOM 0 HG21 THR A 11 5.112 4.151 4.894 1.00 1.00 H new ATOM 0 HG22 THR A 11 3.343 4.086 4.714 1.00 1.00 H new ATOM 0 HG23 THR A 11 4.393 3.590 3.366 1.00 1.00 H new ATOM 172 N ILE A 12 1.778 3.918 2.451 1.00 1.00 N ATOM 173 CA ILE A 12 0.684 3.005 2.761 1.00 1.00 C ATOM 174 C ILE A 12 1.214 1.777 3.494 1.00 1.00 C ATOM 175 O ILE A 12 2.399 1.460 3.412 1.00 1.00 O ATOM 176 CB ILE A 12 -0.015 2.571 1.472 1.00 1.00 C ATOM 177 CG1 ILE A 12 1.034 2.302 0.391 1.00 1.00 C ATOM 178 CG2 ILE A 12 -0.956 3.681 1.002 1.00 1.00 C ATOM 179 CD1 ILE A 12 0.400 1.501 -0.747 1.00 1.00 C ATOM 0 H ILE A 12 2.393 3.602 1.701 1.00 1.00 H new ATOM 0 HA ILE A 12 -0.030 3.521 3.402 1.00 1.00 H new ATOM 0 HB ILE A 12 -0.589 1.663 1.658 1.00 1.00 H new ATOM 0 HG12 ILE A 12 1.429 3.244 0.011 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.874 1.751 0.814 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -1.454 3.371 0.083 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -1.703 3.875 1.772 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -0.383 4.589 0.815 1.00 1.00 H new ATOM 0 HD11 ILE A 12 1.147 1.309 -1.517 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.026 0.553 -0.360 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.426 2.069 -1.176 1.00 1.00 H new ATOM 191 N ILE A 13 0.328 1.090 4.212 1.00 1.00 N ATOM 192 CA ILE A 13 0.728 -0.103 4.954 1.00 1.00 C ATOM 193 C ILE A 13 -0.319 -1.204 4.820 1.00 1.00 C ATOM 194 O ILE A 13 -1.519 -0.933 4.761 1.00 1.00 O ATOM 195 CB ILE A 13 0.936 0.239 6.433 1.00 1.00 C ATOM 196 CG1 ILE A 13 1.985 -0.709 7.023 1.00 1.00 C ATOM 197 CG2 ILE A 13 -0.381 0.085 7.200 1.00 1.00 C ATOM 198 CD1 ILE A 13 1.824 -0.776 8.543 1.00 1.00 C ATOM 0 H ILE A 13 -0.659 1.335 4.296 1.00 1.00 H new ATOM 0 HA ILE A 13 1.666 -0.465 4.534 1.00 1.00 H new ATOM 0 HB ILE A 13 1.276 1.271 6.520 1.00 1.00 H new ATOM 0 HG12 ILE A 13 1.873 -1.704 6.592 1.00 1.00 H new ATOM 0 HG13 ILE A 13 2.987 -0.362 6.769 1.00 1.00 H new ATOM 0 HG21 ILE A 13 -0.221 0.331 8.250 1.00 1.00 H new ATOM 0 HG22 ILE A 13 -1.128 0.758 6.779 1.00 1.00 H new ATOM 0 HG23 ILE A 13 -0.732 -0.944 7.117 1.00 1.00 H new ATOM 0 HD11 ILE A 13 2.572 -1.451 8.959 1.00 1.00 H new ATOM 0 HD12 ILE A 13 1.958 0.219 8.967 1.00 1.00 H new ATOM 0 HD13 ILE A 13 0.827 -1.144 8.787 1.00 1.00 H new ATOM 210 N LEU A 14 0.145 -2.449 4.776 1.00 1.00 N ATOM 211 CA LEU A 14 -0.756 -3.588 4.652 1.00 1.00 C ATOM 212 C LEU A 14 -0.943 -4.261 6.011 1.00 1.00 C ATOM 213 O LEU A 14 0.011 -4.405 6.777 1.00 1.00 O ATOM 214 CB LEU A 14 -0.193 -4.600 3.648 1.00 1.00 C ATOM 215 CG LEU A 14 0.577 -3.871 2.543 1.00 1.00 C ATOM 216 CD1 LEU A 14 1.066 -4.886 1.509 1.00 1.00 C ATOM 217 CD2 LEU A 14 -0.343 -2.856 1.859 1.00 1.00 C ATOM 0 H LEU A 14 1.134 -2.693 4.824 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.722 -3.231 4.295 1.00 1.00 H new ATOM 0 HB2 LEU A 14 0.466 -5.303 4.158 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -1.005 -5.183 3.213 1.00 1.00 H new ATOM 0 HG LEU A 14 1.430 -3.352 2.980 1.00 1.00 H new ATOM 0 HD11 LEU A 14 1.614 -4.368 0.722 1.00 1.00 H new ATOM 0 HD12 LEU A 14 1.722 -5.610 1.992 1.00 1.00 H new ATOM 0 HD13 LEU A 14 0.211 -5.404 1.075 1.00 1.00 H new ATOM 0 HD21 LEU A 14 0.207 -2.338 1.073 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -1.197 -3.375 1.423 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -0.695 -2.131 2.593 1.00 1.00 H new ATOM 229 N ARG A 15 -2.182 -4.658 6.303 1.00 1.00 N ATOM 230 CA ARG A 15 -2.497 -5.303 7.575 1.00 1.00 C ATOM 231 C ARG A 15 -3.187 -6.643 7.342 1.00 1.00 C ATOM 232 O ARG A 15 -3.894 -6.823 6.352 1.00 1.00 O ATOM 233 CB ARG A 15 -3.404 -4.378 8.399 1.00 1.00 C ATOM 234 CG ARG A 15 -4.252 -5.187 9.385 1.00 1.00 C ATOM 235 CD ARG A 15 -4.831 -4.244 10.447 1.00 1.00 C ATOM 236 NE ARG A 15 -3.923 -4.155 11.585 1.00 1.00 N ATOM 237 CZ ARG A 15 -3.976 -3.130 12.430 1.00 1.00 C ATOM 238 NH1 ARG A 15 -4.858 -2.185 12.253 1.00 1.00 N ATOM 239 NH2 ARG A 15 -3.147 -3.070 13.436 1.00 1.00 N ATOM 0 H ARG A 15 -2.980 -4.544 5.678 1.00 1.00 H new ATOM 0 HA ARG A 15 -1.571 -5.488 8.120 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -2.796 -3.655 8.943 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -4.054 -3.811 7.733 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -5.058 -5.697 8.857 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -3.644 -5.957 9.859 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -4.988 -3.254 10.019 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -5.805 -4.608 10.776 1.00 1.00 H new ATOM 0 HE ARG A 15 -3.235 -4.893 11.735 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -5.506 -2.233 11.467 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -4.899 -1.398 12.901 1.00 1.00 H new ATOM 0 HH21 ARG A 15 -2.458 -3.810 13.574 1.00 1.00 H new ATOM 0 HH22 ARG A 15 -3.188 -2.284 14.084 1.00 1.00 H new ATOM 253 N ASN A 16 -2.974 -7.577 8.268 1.00 1.00 N ATOM 254 CA ASN A 16 -3.576 -8.905 8.176 1.00 1.00 C ATOM 255 C ASN A 16 -3.066 -9.652 6.947 1.00 1.00 C ATOM 256 O ASN A 16 -3.849 -10.077 6.096 1.00 1.00 O ATOM 257 CB ASN A 16 -5.100 -8.785 8.112 1.00 1.00 C ATOM 258 CG ASN A 16 -5.745 -10.149 8.322 1.00 1.00 C ATOM 259 OD1 ASN A 16 -5.442 -10.839 9.295 1.00 1.00 O ATOM 260 ND2 ASN A 16 -6.633 -10.578 7.467 1.00 1.00 N ATOM 0 H ASN A 16 -2.388 -7.438 9.091 1.00 1.00 H new ATOM 0 HA ASN A 16 -3.293 -9.469 9.065 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -5.449 -8.088 8.874 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -5.400 -8.378 7.146 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -7.077 -11.486 7.605 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -6.883 -10.005 6.661 1.00 1.00 H new ATOM 267 N ILE A 17 -1.751 -9.811 6.864 1.00 1.00 N ATOM 268 CA ILE A 17 -1.142 -10.512 5.739 1.00 1.00 C ATOM 269 C ILE A 17 -0.818 -11.952 6.125 1.00 1.00 C ATOM 270 O ILE A 17 -0.663 -12.267 7.304 1.00 1.00 O ATOM 271 CB ILE A 17 0.144 -9.800 5.301 1.00 1.00 C ATOM 272 CG1 ILE A 17 0.032 -8.287 5.553 1.00 1.00 C ATOM 273 CG2 ILE A 17 0.389 -10.056 3.813 1.00 1.00 C ATOM 274 CD1 ILE A 17 -1.146 -7.698 4.767 1.00 1.00 C ATOM 0 H ILE A 17 -1.088 -9.466 7.558 1.00 1.00 H new ATOM 0 HA ILE A 17 -1.851 -10.513 4.912 1.00 1.00 H new ATOM 0 HB ILE A 17 0.979 -10.191 5.883 1.00 1.00 H new ATOM 0 HG12 ILE A 17 -0.103 -8.099 6.618 1.00 1.00 H new ATOM 0 HG13 ILE A 17 0.958 -7.793 5.257 1.00 1.00 H new ATOM 0 HG21 ILE A 17 1.303 -9.550 3.502 1.00 1.00 H new ATOM 0 HG22 ILE A 17 0.491 -11.127 3.640 1.00 1.00 H new ATOM 0 HG23 ILE A 17 -0.452 -9.674 3.235 1.00 1.00 H new ATOM 0 HD11 ILE A 17 -1.211 -6.627 4.957 1.00 1.00 H new ATOM 0 HD12 ILE A 17 -0.994 -7.869 3.701 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -2.071 -8.179 5.084 1.00 1.00 H new ATOM 286 N ALA A 18 -0.721 -12.824 5.125 1.00 1.00 N ATOM 287 CA ALA A 18 -0.419 -14.229 5.383 1.00 1.00 C ATOM 288 C ALA A 18 1.090 -14.478 5.327 1.00 1.00 C ATOM 289 O ALA A 18 1.833 -13.690 4.740 1.00 1.00 O ATOM 290 CB ALA A 18 -1.121 -15.111 4.350 1.00 1.00 C ATOM 0 H ALA A 18 -0.845 -12.587 4.141 1.00 1.00 H new ATOM 0 HA ALA A 18 -0.778 -14.479 6.381 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -0.891 -16.158 4.549 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -2.198 -14.958 4.413 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -0.775 -14.847 3.351 1.00 1.00 H new ATOM 296 N PRO A 19 1.553 -15.554 5.917 1.00 1.00 N ATOM 297 CA PRO A 19 3.005 -15.909 5.927 1.00 1.00 C ATOM 298 C PRO A 19 3.476 -16.451 4.576 1.00 1.00 C ATOM 299 O PRO A 19 4.633 -16.845 4.425 1.00 1.00 O ATOM 300 CB PRO A 19 3.096 -16.994 6.999 1.00 1.00 C ATOM 301 CG PRO A 19 1.755 -17.644 7.005 1.00 1.00 C ATOM 302 CD PRO A 19 0.747 -16.553 6.644 1.00 1.00 C ATOM 0 HA PRO A 19 3.637 -15.043 6.124 1.00 1.00 H new ATOM 0 HB2 PRO A 19 3.882 -17.713 6.767 1.00 1.00 H new ATOM 0 HB3 PRO A 19 3.332 -16.567 7.974 1.00 1.00 H new ATOM 0 HG2 PRO A 19 1.716 -18.462 6.286 1.00 1.00 H new ATOM 0 HG3 PRO A 19 1.534 -18.069 7.984 1.00 1.00 H new ATOM 0 HD2 PRO A 19 -0.060 -16.944 6.024 1.00 1.00 H new ATOM 0 HD3 PRO A 19 0.286 -16.124 7.534 1.00 1.00 H new ATOM 310 N HIS A 20 2.569 -16.479 3.603 1.00 1.00 N ATOM 311 CA HIS A 20 2.896 -16.989 2.273 1.00 1.00 C ATOM 312 C HIS A 20 3.092 -15.845 1.279 1.00 1.00 C ATOM 313 O HIS A 20 3.009 -16.041 0.068 1.00 1.00 O ATOM 314 CB HIS A 20 1.770 -17.905 1.788 1.00 1.00 C ATOM 315 CG HIS A 20 2.117 -18.467 0.437 1.00 1.00 C ATOM 316 ND1 HIS A 20 3.247 -19.240 0.223 1.00 1.00 N ATOM 317 CD2 HIS A 20 1.486 -18.381 -0.780 1.00 1.00 C ATOM 318 CE1 HIS A 20 3.263 -19.585 -1.078 1.00 1.00 C ATOM 319 NE2 HIS A 20 2.211 -19.086 -1.735 1.00 1.00 N ATOM 0 H HIS A 20 1.607 -16.157 3.709 1.00 1.00 H new ATOM 0 HA HIS A 20 3.829 -17.549 2.337 1.00 1.00 H new ATOM 0 HB2 HIS A 20 1.616 -18.715 2.500 1.00 1.00 H new ATOM 0 HB3 HIS A 20 0.835 -17.348 1.731 1.00 1.00 H new ATOM 0 HD2 HIS A 20 0.566 -17.847 -0.967 1.00 1.00 H new ATOM 0 HE1 HIS A 20 4.032 -20.191 -1.535 1.00 1.00 H new ATOM 0 HE2 HIS A 20 1.988 -19.198 -2.724 1.00 1.00 H new ATOM 327 N THR A 21 3.353 -14.653 1.800 1.00 1.00 N ATOM 328 CA THR A 21 3.561 -13.488 0.950 1.00 1.00 C ATOM 329 C THR A 21 5.025 -13.380 0.536 1.00 1.00 C ATOM 330 O THR A 21 5.925 -13.583 1.350 1.00 1.00 O ATOM 331 CB THR A 21 3.141 -12.221 1.697 1.00 1.00 C ATOM 332 OG1 THR A 21 1.820 -12.387 2.195 1.00 1.00 O ATOM 333 CG2 THR A 21 3.184 -11.025 0.745 1.00 1.00 C ATOM 0 H THR A 21 3.425 -14.468 2.800 1.00 1.00 H new ATOM 0 HA THR A 21 2.953 -13.600 0.053 1.00 1.00 H new ATOM 0 HB THR A 21 3.825 -12.043 2.527 1.00 1.00 H new ATOM 0 HG1 THR A 21 1.853 -12.836 3.065 1.00 1.00 H new ATOM 0 HG21 THR A 21 2.884 -10.124 1.280 1.00 1.00 H new ATOM 0 HG22 THR A 21 4.197 -10.900 0.363 1.00 1.00 H new ATOM 0 HG23 THR A 21 2.501 -11.197 -0.087 1.00 1.00 H new ATOM 341 N VAL A 22 5.253 -13.062 -0.735 1.00 1.00 N ATOM 342 CA VAL A 22 6.613 -12.930 -1.249 1.00 1.00 C ATOM 343 C VAL A 22 6.745 -11.667 -2.093 1.00 1.00 C ATOM 344 O VAL A 22 5.825 -11.296 -2.822 1.00 1.00 O ATOM 345 CB VAL A 22 6.971 -14.151 -2.095 1.00 1.00 C ATOM 346 CG1 VAL A 22 7.952 -15.037 -1.324 1.00 1.00 C ATOM 347 CG2 VAL A 22 5.701 -14.949 -2.402 1.00 1.00 C ATOM 0 H VAL A 22 4.520 -12.892 -1.424 1.00 1.00 H new ATOM 0 HA VAL A 22 7.297 -12.861 -0.403 1.00 1.00 H new ATOM 0 HB VAL A 22 7.431 -13.823 -3.027 1.00 1.00 H new ATOM 0 HG11 VAL A 22 8.207 -15.908 -1.928 1.00 1.00 H new ATOM 0 HG12 VAL A 22 8.857 -14.471 -1.103 1.00 1.00 H new ATOM 0 HG13 VAL A 22 7.492 -15.364 -0.392 1.00 1.00 H new ATOM 0 HG21 VAL A 22 5.956 -15.820 -3.006 1.00 1.00 H new ATOM 0 HG22 VAL A 22 5.242 -15.276 -1.469 1.00 1.00 H new ATOM 0 HG23 VAL A 22 5.000 -14.320 -2.951 1.00 1.00 H new ATOM 357 N VAL A 23 7.895 -11.010 -1.989 1.00 1.00 N ATOM 358 CA VAL A 23 8.139 -9.788 -2.747 1.00 1.00 C ATOM 359 C VAL A 23 7.774 -9.985 -4.216 1.00 1.00 C ATOM 360 O VAL A 23 7.521 -9.022 -4.938 1.00 1.00 O ATOM 361 CB VAL A 23 9.610 -9.388 -2.636 1.00 1.00 C ATOM 362 CG1 VAL A 23 9.861 -8.123 -3.458 1.00 1.00 C ATOM 363 CG2 VAL A 23 9.954 -9.118 -1.170 1.00 1.00 C ATOM 0 H VAL A 23 8.669 -11.301 -1.391 1.00 1.00 H new ATOM 0 HA VAL A 23 7.515 -8.997 -2.332 1.00 1.00 H new ATOM 0 HB VAL A 23 10.235 -10.197 -3.015 1.00 1.00 H new ATOM 0 HG11 VAL A 23 10.910 -7.839 -3.378 1.00 1.00 H new ATOM 0 HG12 VAL A 23 9.615 -8.313 -4.503 1.00 1.00 H new ATOM 0 HG13 VAL A 23 9.236 -7.314 -3.080 1.00 1.00 H new ATOM 0 HG21 VAL A 23 11.003 -8.833 -1.089 1.00 1.00 H new ATOM 0 HG22 VAL A 23 9.328 -8.310 -0.792 1.00 1.00 H new ATOM 0 HG23 VAL A 23 9.777 -10.019 -0.583 1.00 1.00 H new ATOM 373 N ASP A 24 7.749 -11.242 -4.649 1.00 1.00 N ATOM 374 CA ASP A 24 7.416 -11.555 -6.035 1.00 1.00 C ATOM 375 C ASP A 24 5.945 -11.264 -6.314 1.00 1.00 C ATOM 376 O ASP A 24 5.613 -10.528 -7.245 1.00 1.00 O ATOM 377 CB ASP A 24 7.709 -13.029 -6.318 1.00 1.00 C ATOM 378 CG ASP A 24 8.181 -13.203 -7.757 1.00 1.00 C ATOM 379 OD1 ASP A 24 7.339 -13.210 -8.640 1.00 1.00 O ATOM 380 OD2 ASP A 24 9.378 -13.331 -7.955 1.00 1.00 O ATOM 0 H ASP A 24 7.953 -12.054 -4.066 1.00 1.00 H new ATOM 0 HA ASP A 24 8.026 -10.929 -6.687 1.00 1.00 H new ATOM 0 HB2 ASP A 24 8.472 -13.395 -5.630 1.00 1.00 H new ATOM 0 HB3 ASP A 24 6.813 -13.625 -6.147 1.00 1.00 H new ATOM 385 N SER A 25 5.067 -11.845 -5.504 1.00 1.00 N ATOM 386 CA SER A 25 3.632 -11.643 -5.674 1.00 1.00 C ATOM 387 C SER A 25 3.260 -10.181 -5.437 1.00 1.00 C ATOM 388 O SER A 25 2.553 -9.573 -6.240 1.00 1.00 O ATOM 389 CB SER A 25 2.861 -12.529 -4.698 1.00 1.00 C ATOM 390 OG SER A 25 2.842 -13.862 -5.188 1.00 1.00 O ATOM 0 H SER A 25 5.321 -12.456 -4.728 1.00 1.00 H new ATOM 0 HA SER A 25 3.368 -11.911 -6.697 1.00 1.00 H new ATOM 0 HB2 SER A 25 3.328 -12.498 -3.714 1.00 1.00 H new ATOM 0 HB3 SER A 25 1.843 -12.159 -4.579 1.00 1.00 H new ATOM 0 HG SER A 25 2.349 -14.433 -4.563 1.00 1.00 H new ATOM 396 N ILE A 26 3.739 -9.625 -4.330 1.00 1.00 N ATOM 397 CA ILE A 26 3.447 -8.235 -3.997 1.00 1.00 C ATOM 398 C ILE A 26 3.804 -7.313 -5.158 1.00 1.00 C ATOM 399 O ILE A 26 3.169 -6.278 -5.360 1.00 1.00 O ATOM 400 CB ILE A 26 4.240 -7.820 -2.756 1.00 1.00 C ATOM 401 CG1 ILE A 26 3.687 -8.553 -1.525 1.00 1.00 C ATOM 402 CG2 ILE A 26 4.131 -6.305 -2.559 1.00 1.00 C ATOM 403 CD1 ILE A 26 2.561 -7.738 -0.881 1.00 1.00 C ATOM 0 H ILE A 26 4.327 -10.110 -3.652 1.00 1.00 H new ATOM 0 HA ILE A 26 2.379 -8.149 -3.797 1.00 1.00 H new ATOM 0 HB ILE A 26 5.289 -8.086 -2.888 1.00 1.00 H new ATOM 0 HG12 ILE A 26 3.314 -9.535 -1.816 1.00 1.00 H new ATOM 0 HG13 ILE A 26 4.486 -8.717 -0.802 1.00 1.00 H new ATOM 0 HG21 ILE A 26 4.696 -6.011 -1.675 1.00 1.00 H new ATOM 0 HG22 ILE A 26 4.534 -5.794 -3.434 1.00 1.00 H new ATOM 0 HG23 ILE A 26 3.085 -6.029 -2.428 1.00 1.00 H new ATOM 0 HD11 ILE A 26 2.179 -8.270 -0.010 1.00 1.00 H new ATOM 0 HD12 ILE A 26 2.946 -6.766 -0.572 1.00 1.00 H new ATOM 0 HD13 ILE A 26 1.756 -7.597 -1.602 1.00 1.00 H new ATOM 415 N MET A 27 4.826 -7.695 -5.918 1.00 1.00 N ATOM 416 CA MET A 27 5.262 -6.891 -7.055 1.00 1.00 C ATOM 417 C MET A 27 4.268 -6.998 -8.210 1.00 1.00 C ATOM 418 O MET A 27 3.721 -5.992 -8.665 1.00 1.00 O ATOM 419 CB MET A 27 6.642 -7.361 -7.524 1.00 1.00 C ATOM 420 CG MET A 27 7.726 -6.755 -6.630 1.00 1.00 C ATOM 421 SD MET A 27 8.391 -5.266 -7.412 1.00 1.00 S ATOM 422 CE MET A 27 9.426 -4.726 -6.030 1.00 1.00 C ATOM 0 H MET A 27 5.364 -8.549 -5.769 1.00 1.00 H new ATOM 0 HA MET A 27 5.316 -5.850 -6.737 1.00 1.00 H new ATOM 0 HB2 MET A 27 6.697 -8.449 -7.491 1.00 1.00 H new ATOM 0 HB3 MET A 27 6.805 -7.065 -8.560 1.00 1.00 H new ATOM 0 HG2 MET A 27 7.311 -6.511 -5.652 1.00 1.00 H new ATOM 0 HG3 MET A 27 8.524 -7.479 -6.466 1.00 1.00 H new ATOM 0 HE1 MET A 27 9.940 -3.804 -6.299 1.00 1.00 H new ATOM 0 HE2 MET A 27 8.801 -4.551 -5.154 1.00 1.00 H new ATOM 0 HE3 MET A 27 10.161 -5.498 -5.802 1.00 1.00 H new ATOM 432 N THR A 28 4.045 -8.218 -8.682 1.00 1.00 N ATOM 433 CA THR A 28 3.123 -8.444 -9.789 1.00 1.00 C ATOM 434 C THR A 28 1.683 -8.152 -9.373 1.00 1.00 C ATOM 435 O THR A 28 0.833 -7.861 -10.214 1.00 1.00 O ATOM 436 CB THR A 28 3.232 -9.893 -10.269 1.00 1.00 C ATOM 437 OG1 THR A 28 4.586 -10.316 -10.188 1.00 1.00 O ATOM 438 CG2 THR A 28 2.750 -9.991 -11.717 1.00 1.00 C ATOM 0 H THR A 28 4.487 -9.062 -8.318 1.00 1.00 H new ATOM 0 HA THR A 28 3.393 -7.766 -10.599 1.00 1.00 H new ATOM 0 HB THR A 28 2.613 -10.532 -9.639 1.00 1.00 H new ATOM 0 HG1 THR A 28 4.657 -11.244 -10.493 1.00 1.00 H new ATOM 0 HG21 THR A 28 2.828 -11.024 -12.057 1.00 1.00 H new ATOM 0 HG22 THR A 28 1.711 -9.667 -11.777 1.00 1.00 H new ATOM 0 HG23 THR A 28 3.367 -9.353 -12.350 1.00 1.00 H new ATOM 446 N ALA A 29 1.413 -8.244 -8.075 1.00 1.00 N ATOM 447 CA ALA A 29 0.066 -7.999 -7.565 1.00 1.00 C ATOM 448 C ALA A 29 -0.279 -6.510 -7.599 1.00 1.00 C ATOM 449 O ALA A 29 -1.428 -6.138 -7.828 1.00 1.00 O ATOM 450 CB ALA A 29 -0.046 -8.513 -6.129 1.00 1.00 C ATOM 0 H ALA A 29 2.101 -8.484 -7.361 1.00 1.00 H new ATOM 0 HA ALA A 29 -0.638 -8.530 -8.206 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -1.052 -8.328 -5.754 1.00 1.00 H new ATOM 0 HB2 ALA A 29 0.157 -9.584 -6.109 1.00 1.00 H new ATOM 0 HB3 ALA A 29 0.677 -7.994 -5.499 1.00 1.00 H new ATOM 456 N LEU A 30 0.720 -5.667 -7.358 1.00 1.00 N ATOM 457 CA LEU A 30 0.504 -4.222 -7.353 1.00 1.00 C ATOM 458 C LEU A 30 0.987 -3.590 -8.657 1.00 1.00 C ATOM 459 O LEU A 30 1.033 -2.366 -8.784 1.00 1.00 O ATOM 460 CB LEU A 30 1.245 -3.590 -6.170 1.00 1.00 C ATOM 461 CG LEU A 30 0.493 -3.889 -4.867 1.00 1.00 C ATOM 462 CD1 LEU A 30 1.358 -3.471 -3.676 1.00 1.00 C ATOM 463 CD2 LEU A 30 -0.834 -3.116 -4.822 1.00 1.00 C ATOM 0 H LEU A 30 1.679 -5.955 -7.165 1.00 1.00 H new ATOM 0 HA LEU A 30 -0.566 -4.038 -7.257 1.00 1.00 H new ATOM 0 HB2 LEU A 30 2.260 -3.983 -6.113 1.00 1.00 H new ATOM 0 HB3 LEU A 30 1.328 -2.513 -6.314 1.00 1.00 H new ATOM 0 HG LEU A 30 0.282 -4.957 -4.821 1.00 1.00 H new ATOM 0 HD11 LEU A 30 0.826 -3.682 -2.748 1.00 1.00 H new ATOM 0 HD12 LEU A 30 2.294 -4.029 -3.693 1.00 1.00 H new ATOM 0 HD13 LEU A 30 1.570 -2.404 -3.737 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -1.354 -3.340 -3.891 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -0.634 -2.046 -4.877 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -1.457 -3.413 -5.666 1.00 1.00 H new ATOM 475 N SER A 31 1.356 -4.431 -9.617 1.00 1.00 N ATOM 476 CA SER A 31 1.848 -3.945 -10.903 1.00 1.00 C ATOM 477 C SER A 31 0.791 -3.118 -11.641 1.00 1.00 C ATOM 478 O SER A 31 1.062 -1.989 -12.051 1.00 1.00 O ATOM 479 CB SER A 31 2.286 -5.119 -11.778 1.00 1.00 C ATOM 480 OG SER A 31 3.698 -5.084 -11.935 1.00 1.00 O ATOM 0 H SER A 31 1.325 -5.447 -9.531 1.00 1.00 H new ATOM 0 HA SER A 31 2.702 -3.298 -10.703 1.00 1.00 H new ATOM 0 HB2 SER A 31 1.982 -6.061 -11.322 1.00 1.00 H new ATOM 0 HB3 SER A 31 1.798 -5.064 -12.751 1.00 1.00 H new ATOM 0 HG SER A 31 3.984 -5.836 -12.494 1.00 1.00 H new ATOM 486 N PRO A 32 -0.396 -3.645 -11.830 1.00 1.00 N ATOM 487 CA PRO A 32 -1.481 -2.917 -12.548 1.00 1.00 C ATOM 488 C PRO A 32 -2.153 -1.870 -11.666 1.00 1.00 C ATOM 489 O PRO A 32 -3.034 -1.138 -12.116 1.00 1.00 O ATOM 490 CB PRO A 32 -2.463 -4.023 -12.924 1.00 1.00 C ATOM 491 CG PRO A 32 -2.288 -5.079 -11.884 1.00 1.00 C ATOM 492 CD PRO A 32 -0.842 -4.980 -11.385 1.00 1.00 C ATOM 0 HA PRO A 32 -1.105 -2.361 -13.407 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -3.487 -3.651 -12.938 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -2.253 -4.413 -13.920 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -2.990 -4.932 -11.063 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -2.486 -6.067 -12.300 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -0.787 -5.077 -10.301 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -0.220 -5.769 -11.808 1.00 1.00 H new ATOM 500 N TYR A 33 -1.731 -1.811 -10.411 1.00 1.00 N ATOM 501 CA TYR A 33 -2.300 -0.853 -9.470 1.00 1.00 C ATOM 502 C TYR A 33 -1.382 0.355 -9.304 1.00 1.00 C ATOM 503 O TYR A 33 -1.839 1.453 -8.984 1.00 1.00 O ATOM 504 CB TYR A 33 -2.520 -1.527 -8.117 1.00 1.00 C ATOM 505 CG TYR A 33 -3.636 -2.534 -8.237 1.00 1.00 C ATOM 506 CD1 TYR A 33 -4.959 -2.138 -8.010 1.00 1.00 C ATOM 507 CD2 TYR A 33 -3.352 -3.863 -8.578 1.00 1.00 C ATOM 508 CE1 TYR A 33 -5.999 -3.070 -8.124 1.00 1.00 C ATOM 509 CE2 TYR A 33 -4.391 -4.794 -8.690 1.00 1.00 C ATOM 510 CZ TYR A 33 -5.715 -4.398 -8.462 1.00 1.00 C ATOM 511 OH TYR A 33 -6.739 -5.315 -8.574 1.00 1.00 O ATOM 0 H TYR A 33 -1.003 -2.409 -10.022 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.256 -0.507 -9.864 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -1.604 -2.019 -7.790 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -2.768 -0.781 -7.362 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -5.178 -1.114 -7.747 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -2.331 -4.169 -8.754 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -7.020 -2.763 -7.951 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -4.172 -5.818 -8.952 1.00 1.00 H new ATOM 0 HH TYR A 33 -6.370 -6.190 -8.816 1.00 1.00 H new ATOM 521 N ALA A 34 -0.088 0.147 -9.524 1.00 1.00 N ATOM 522 CA ALA A 34 0.881 1.229 -9.397 1.00 1.00 C ATOM 523 C ALA A 34 2.302 0.690 -9.533 1.00 1.00 C ATOM 524 O ALA A 34 2.505 -0.508 -9.732 1.00 1.00 O ATOM 525 CB ALA A 34 0.722 1.916 -8.040 1.00 1.00 C ATOM 0 H ALA A 34 0.311 -0.753 -9.789 1.00 1.00 H new ATOM 0 HA ALA A 34 0.699 1.952 -10.192 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.450 2.723 -7.953 1.00 1.00 H new ATOM 0 HB2 ALA A 34 -0.285 2.325 -7.955 1.00 1.00 H new ATOM 0 HB3 ALA A 34 0.888 1.191 -7.243 1.00 1.00 H new ATOM 531 N SER A 35 3.279 1.586 -9.424 1.00 1.00 N ATOM 532 CA SER A 35 4.681 1.198 -9.533 1.00 1.00 C ATOM 533 C SER A 35 5.379 1.338 -8.185 1.00 1.00 C ATOM 534 O SER A 35 5.226 2.350 -7.502 1.00 1.00 O ATOM 535 CB SER A 35 5.387 2.077 -10.567 1.00 1.00 C ATOM 536 OG SER A 35 6.556 2.639 -9.984 1.00 1.00 O ATOM 0 H SER A 35 3.126 2.581 -9.261 1.00 1.00 H new ATOM 0 HA SER A 35 4.728 0.156 -9.849 1.00 1.00 H new ATOM 0 HB2 SER A 35 5.652 1.486 -11.444 1.00 1.00 H new ATOM 0 HB3 SER A 35 4.719 2.869 -10.906 1.00 1.00 H new ATOM 0 HG SER A 35 7.012 3.202 -10.644 1.00 1.00 H new ATOM 542 N LEU A 36 6.142 0.314 -7.812 1.00 1.00 N ATOM 543 CA LEU A 36 6.863 0.326 -6.545 1.00 1.00 C ATOM 544 C LEU A 36 8.367 0.311 -6.786 1.00 1.00 C ATOM 545 O LEU A 36 8.821 0.224 -7.926 1.00 1.00 O ATOM 546 CB LEU A 36 6.465 -0.890 -5.701 1.00 1.00 C ATOM 547 CG LEU A 36 5.742 -1.919 -6.576 1.00 1.00 C ATOM 548 CD1 LEU A 36 5.653 -3.247 -5.823 1.00 1.00 C ATOM 549 CD2 LEU A 36 4.325 -1.429 -6.898 1.00 1.00 C ATOM 0 H LEU A 36 6.276 -0.531 -8.367 1.00 1.00 H new ATOM 0 HA LEU A 36 6.601 1.238 -6.009 1.00 1.00 H new ATOM 0 HB2 LEU A 36 7.352 -1.339 -5.254 1.00 1.00 H new ATOM 0 HB3 LEU A 36 5.818 -0.578 -4.881 1.00 1.00 H new ATOM 0 HG LEU A 36 6.297 -2.053 -7.505 1.00 1.00 H new ATOM 0 HD11 LEU A 36 5.139 -3.982 -6.442 1.00 1.00 H new ATOM 0 HD12 LEU A 36 6.657 -3.604 -5.594 1.00 1.00 H new ATOM 0 HD13 LEU A 36 5.099 -3.103 -4.895 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.818 -2.166 -7.520 1.00 1.00 H new ATOM 0 HD22 LEU A 36 3.768 -1.292 -5.971 1.00 1.00 H new ATOM 0 HD23 LEU A 36 4.381 -0.480 -7.432 1.00 1.00 H new ATOM 561 N ALA A 37 9.136 0.398 -5.706 1.00 1.00 N ATOM 562 CA ALA A 37 10.590 0.394 -5.815 1.00 1.00 C ATOM 563 C ALA A 37 11.216 -0.331 -4.625 1.00 1.00 C ATOM 564 O ALA A 37 10.880 -0.058 -3.473 1.00 1.00 O ATOM 565 CB ALA A 37 11.112 1.832 -5.885 1.00 1.00 C ATOM 0 H ALA A 37 8.781 0.472 -4.753 1.00 1.00 H new ATOM 0 HA ALA A 37 10.868 -0.133 -6.727 1.00 1.00 H new ATOM 0 HB1 ALA A 37 12.199 1.821 -5.966 1.00 1.00 H new ATOM 0 HB2 ALA A 37 10.688 2.331 -6.756 1.00 1.00 H new ATOM 0 HB3 ALA A 37 10.821 2.369 -4.982 1.00 1.00 H new ATOM 571 N VAL A 38 12.117 -1.265 -4.915 1.00 1.00 N ATOM 572 CA VAL A 38 12.778 -2.038 -3.868 1.00 1.00 C ATOM 573 C VAL A 38 13.316 -1.135 -2.758 1.00 1.00 C ATOM 574 O VAL A 38 13.248 -1.482 -1.579 1.00 1.00 O ATOM 575 CB VAL A 38 13.933 -2.839 -4.473 1.00 1.00 C ATOM 576 CG1 VAL A 38 14.643 -3.625 -3.369 1.00 1.00 C ATOM 577 CG2 VAL A 38 13.384 -3.813 -5.518 1.00 1.00 C ATOM 0 H VAL A 38 12.406 -1.505 -5.863 1.00 1.00 H new ATOM 0 HA VAL A 38 12.040 -2.711 -3.432 1.00 1.00 H new ATOM 0 HB VAL A 38 14.640 -2.157 -4.945 1.00 1.00 H new ATOM 0 HG11 VAL A 38 15.466 -4.196 -3.800 1.00 1.00 H new ATOM 0 HG12 VAL A 38 15.033 -2.933 -2.623 1.00 1.00 H new ATOM 0 HG13 VAL A 38 13.937 -4.307 -2.896 1.00 1.00 H new ATOM 0 HG21 VAL A 38 14.206 -4.384 -5.950 1.00 1.00 H new ATOM 0 HG22 VAL A 38 12.678 -4.495 -5.044 1.00 1.00 H new ATOM 0 HG23 VAL A 38 12.877 -3.255 -6.305 1.00 1.00 H new ATOM 587 N ASN A 39 13.866 0.015 -3.139 1.00 1.00 N ATOM 588 CA ASN A 39 14.431 0.944 -2.161 1.00 1.00 C ATOM 589 C ASN A 39 13.351 1.822 -1.532 1.00 1.00 C ATOM 590 O ASN A 39 13.656 2.719 -0.745 1.00 1.00 O ATOM 591 CB ASN A 39 15.477 1.832 -2.836 1.00 1.00 C ATOM 592 CG ASN A 39 14.788 2.892 -3.691 1.00 1.00 C ATOM 593 OD1 ASN A 39 14.371 2.608 -4.814 1.00 1.00 O ATOM 594 ND2 ASN A 39 14.641 4.101 -3.222 1.00 1.00 N ATOM 0 H ASN A 39 13.933 0.325 -4.108 1.00 1.00 H new ATOM 0 HA ASN A 39 14.895 0.355 -1.370 1.00 1.00 H new ATOM 0 HB2 ASN A 39 16.101 2.311 -2.081 1.00 1.00 H new ATOM 0 HB3 ASN A 39 16.136 1.225 -3.456 1.00 1.00 H new ATOM 0 HD21 ASN A 39 14.179 4.814 -3.786 1.00 1.00 H new ATOM 0 HD22 ASN A 39 14.988 4.333 -2.291 1.00 1.00 H new ATOM 601 N ASN A 40 12.094 1.563 -1.880 1.00 1.00 N ATOM 602 CA ASN A 40 10.976 2.342 -1.340 1.00 1.00 C ATOM 603 C ASN A 40 10.041 1.456 -0.521 1.00 1.00 C ATOM 604 O ASN A 40 9.034 1.929 0.005 1.00 1.00 O ATOM 605 CB ASN A 40 10.188 2.990 -2.486 1.00 1.00 C ATOM 606 CG ASN A 40 9.926 4.467 -2.210 1.00 1.00 C ATOM 607 OD1 ASN A 40 9.938 4.909 -1.061 1.00 1.00 O ATOM 608 ND2 ASN A 40 9.688 5.264 -3.215 1.00 1.00 N ATOM 0 H ASN A 40 11.821 0.825 -2.529 1.00 1.00 H new ATOM 0 HA ASN A 40 11.384 3.116 -0.690 1.00 1.00 H new ATOM 0 HB2 ASN A 40 10.744 2.885 -3.418 1.00 1.00 H new ATOM 0 HB3 ASN A 40 9.240 2.469 -2.619 1.00 1.00 H new ATOM 0 HD21 ASN A 40 9.512 6.255 -3.049 1.00 1.00 H new ATOM 0 HD22 ASN A 40 9.678 4.896 -4.166 1.00 1.00 H new ATOM 615 N ILE A 41 10.377 0.170 -0.415 1.00 1.00 N ATOM 616 CA ILE A 41 9.556 -0.765 0.340 1.00 1.00 C ATOM 617 C ILE A 41 10.416 -1.584 1.295 1.00 1.00 C ATOM 618 O ILE A 41 11.475 -2.085 0.916 1.00 1.00 O ATOM 619 CB ILE A 41 8.812 -1.694 -0.620 1.00 1.00 C ATOM 620 CG1 ILE A 41 9.796 -2.657 -1.293 1.00 1.00 C ATOM 621 CG2 ILE A 41 8.108 -0.862 -1.692 1.00 1.00 C ATOM 622 CD1 ILE A 41 9.080 -3.407 -2.419 1.00 1.00 C ATOM 0 H ILE A 41 11.207 -0.242 -0.841 1.00 1.00 H new ATOM 0 HA ILE A 41 8.832 -0.198 0.926 1.00 1.00 H new ATOM 0 HB ILE A 41 8.077 -2.269 -0.057 1.00 1.00 H new ATOM 0 HG12 ILE A 41 10.647 -2.105 -1.692 1.00 1.00 H new ATOM 0 HG13 ILE A 41 10.188 -3.364 -0.562 1.00 1.00 H new ATOM 0 HG21 ILE A 41 7.578 -1.524 -2.376 1.00 1.00 H new ATOM 0 HG22 ILE A 41 7.397 -0.185 -1.218 1.00 1.00 H new ATOM 0 HG23 ILE A 41 8.847 -0.283 -2.247 1.00 1.00 H new ATOM 0 HD11 ILE A 41 9.777 -4.093 -2.900 1.00 1.00 H new ATOM 0 HD12 ILE A 41 8.243 -3.970 -2.006 1.00 1.00 H new ATOM 0 HD13 ILE A 41 8.709 -2.692 -3.154 1.00 1.00 H new ATOM 634 N ARG A 42 9.949 -1.715 2.534 1.00 1.00 N ATOM 635 CA ARG A 42 10.676 -2.476 3.544 1.00 1.00 C ATOM 636 C ARG A 42 9.795 -3.582 4.115 1.00 1.00 C ATOM 637 O ARG A 42 8.937 -3.334 4.963 1.00 1.00 O ATOM 638 CB ARG A 42 11.129 -1.551 4.676 1.00 1.00 C ATOM 639 CG ARG A 42 12.204 -2.255 5.507 1.00 1.00 C ATOM 640 CD ARG A 42 12.720 -1.306 6.589 1.00 1.00 C ATOM 641 NE ARG A 42 13.790 -0.468 6.063 1.00 1.00 N ATOM 642 CZ ARG A 42 14.971 -0.983 5.737 1.00 1.00 C ATOM 643 NH1 ARG A 42 15.187 -2.263 5.879 1.00 1.00 N ATOM 644 NH2 ARG A 42 15.916 -0.211 5.274 1.00 1.00 N ATOM 0 H ARG A 42 9.074 -1.306 2.861 1.00 1.00 H new ATOM 0 HA ARG A 42 11.550 -2.925 3.072 1.00 1.00 H new ATOM 0 HB2 ARG A 42 11.522 -0.621 4.265 1.00 1.00 H new ATOM 0 HB3 ARG A 42 10.280 -1.287 5.307 1.00 1.00 H new ATOM 0 HG2 ARG A 42 11.793 -3.155 5.964 1.00 1.00 H new ATOM 0 HG3 ARG A 42 13.026 -2.571 4.864 1.00 1.00 H new ATOM 0 HD2 ARG A 42 11.905 -0.680 6.952 1.00 1.00 H new ATOM 0 HD3 ARG A 42 13.085 -1.880 7.441 1.00 1.00 H new ATOM 0 HE ARG A 42 13.630 0.532 5.943 1.00 1.00 H new ATOM 0 HH11 ARG A 42 14.449 -2.868 6.240 1.00 1.00 H new ATOM 0 HH12 ARG A 42 16.093 -2.658 5.629 1.00 1.00 H new ATOM 0 HH21 ARG A 42 15.749 0.789 5.162 1.00 1.00 H new ATOM 0 HH22 ARG A 42 16.822 -0.608 5.024 1.00 1.00 H new ATOM 658 N LEU A 43 10.020 -4.804 3.648 1.00 1.00 N ATOM 659 CA LEU A 43 9.248 -5.949 4.118 1.00 1.00 C ATOM 660 C LEU A 43 9.964 -6.604 5.295 1.00 1.00 C ATOM 661 O LEU A 43 10.930 -7.344 5.114 1.00 1.00 O ATOM 662 CB LEU A 43 9.087 -6.961 2.972 1.00 1.00 C ATOM 663 CG LEU A 43 7.609 -7.319 2.756 1.00 1.00 C ATOM 664 CD1 LEU A 43 7.443 -7.971 1.384 1.00 1.00 C ATOM 665 CD2 LEU A 43 7.160 -8.305 3.834 1.00 1.00 C ATOM 0 H LEU A 43 10.727 -5.028 2.948 1.00 1.00 H new ATOM 0 HA LEU A 43 8.263 -5.615 4.444 1.00 1.00 H new ATOM 0 HB2 LEU A 43 9.502 -6.545 2.054 1.00 1.00 H new ATOM 0 HB3 LEU A 43 9.654 -7.864 3.197 1.00 1.00 H new ATOM 0 HG LEU A 43 7.005 -6.414 2.812 1.00 1.00 H new ATOM 0 HD11 LEU A 43 6.395 -8.227 1.227 1.00 1.00 H new ATOM 0 HD12 LEU A 43 7.767 -7.276 0.609 1.00 1.00 H new ATOM 0 HD13 LEU A 43 8.048 -8.876 1.336 1.00 1.00 H new ATOM 0 HD21 LEU A 43 6.111 -8.559 3.681 1.00 1.00 H new ATOM 0 HD22 LEU A 43 7.765 -9.210 3.774 1.00 1.00 H new ATOM 0 HD23 LEU A 43 7.283 -7.850 4.817 1.00 1.00 H new ATOM 677 N ILE A 44 9.485 -6.318 6.501 1.00 1.00 N ATOM 678 CA ILE A 44 10.089 -6.874 7.706 1.00 1.00 C ATOM 679 C ILE A 44 10.036 -8.397 7.678 1.00 1.00 C ATOM 680 O ILE A 44 8.975 -8.993 7.856 1.00 1.00 O ATOM 681 CB ILE A 44 9.350 -6.357 8.940 1.00 1.00 C ATOM 682 CG1 ILE A 44 10.009 -6.912 10.206 1.00 1.00 C ATOM 683 CG2 ILE A 44 7.891 -6.810 8.888 1.00 1.00 C ATOM 684 CD1 ILE A 44 9.743 -5.965 11.376 1.00 1.00 C ATOM 0 H ILE A 44 8.685 -5.708 6.670 1.00 1.00 H new ATOM 0 HA ILE A 44 11.132 -6.561 7.748 1.00 1.00 H new ATOM 0 HB ILE A 44 9.394 -5.268 8.956 1.00 1.00 H new ATOM 0 HG12 ILE A 44 9.614 -7.903 10.430 1.00 1.00 H new ATOM 0 HG13 ILE A 44 11.082 -7.024 10.051 1.00 1.00 H new ATOM 0 HG21 ILE A 44 7.364 -6.441 9.768 1.00 1.00 H new ATOM 0 HG22 ILE A 44 7.419 -6.413 7.989 1.00 1.00 H new ATOM 0 HG23 ILE A 44 7.849 -7.899 8.869 1.00 1.00 H new ATOM 0 HD11 ILE A 44 10.212 -6.360 12.277 1.00 1.00 H new ATOM 0 HD12 ILE A 44 10.159 -4.983 11.151 1.00 1.00 H new ATOM 0 HD13 ILE A 44 8.668 -5.876 11.535 1.00 1.00 H new ATOM 817 N ASN A 52 7.333 -12.251 5.916 1.00 1.00 N ATOM 818 CA ASN A 52 6.653 -11.180 6.642 1.00 1.00 C ATOM 819 C ASN A 52 5.949 -11.713 7.889 1.00 1.00 C ATOM 820 O ASN A 52 5.424 -12.827 7.890 1.00 1.00 O ATOM 821 CB ASN A 52 5.626 -10.517 5.722 1.00 1.00 C ATOM 822 CG ASN A 52 4.243 -11.108 5.975 1.00 1.00 C ATOM 823 OD1 ASN A 52 3.287 -10.370 6.208 1.00 1.00 O ATOM 824 ND2 ASN A 52 4.078 -12.402 5.935 1.00 1.00 N ATOM 0 HA ASN A 52 7.401 -10.453 6.958 1.00 1.00 H new ATOM 0 HB2 ASN A 52 5.609 -9.441 5.898 1.00 1.00 H new ATOM 0 HB3 ASN A 52 5.909 -10.665 4.680 1.00 1.00 H new ATOM 0 HD21 ASN A 52 3.155 -12.804 6.097 1.00 1.00 H new ATOM 0 HD22 ASN A 52 4.873 -13.012 5.742 1.00 1.00 H new ATOM 831 N ARG A 53 5.939 -10.909 8.951 1.00 1.00 N ATOM 832 CA ARG A 53 5.290 -11.308 10.195 1.00 1.00 C ATOM 833 C ARG A 53 3.834 -10.846 10.213 1.00 1.00 C ATOM 834 O ARG A 53 3.289 -10.528 11.269 1.00 1.00 O ATOM 835 CB ARG A 53 6.029 -10.703 11.392 1.00 1.00 C ATOM 836 CG ARG A 53 6.129 -11.741 12.513 1.00 1.00 C ATOM 837 CD ARG A 53 6.825 -11.117 13.724 1.00 1.00 C ATOM 838 NE ARG A 53 5.852 -10.430 14.565 1.00 1.00 N ATOM 839 CZ ARG A 53 5.124 -11.095 15.458 1.00 1.00 C ATOM 840 NH1 ARG A 53 5.280 -12.384 15.597 1.00 1.00 N ATOM 841 NH2 ARG A 53 4.257 -10.459 16.196 1.00 1.00 N ATOM 0 H ARG A 53 6.370 -9.985 8.974 1.00 1.00 H new ATOM 0 HA ARG A 53 5.319 -12.396 10.261 1.00 1.00 H new ATOM 0 HB2 ARG A 53 7.026 -10.381 11.091 1.00 1.00 H new ATOM 0 HB3 ARG A 53 5.502 -9.818 11.748 1.00 1.00 H new ATOM 0 HG2 ARG A 53 5.134 -12.089 12.791 1.00 1.00 H new ATOM 0 HG3 ARG A 53 6.686 -12.612 12.168 1.00 1.00 H new ATOM 0 HD2 ARG A 53 7.332 -11.891 14.300 1.00 1.00 H new ATOM 0 HD3 ARG A 53 7.589 -10.415 13.391 1.00 1.00 H new ATOM 0 HE ARG A 53 5.727 -9.422 14.467 1.00 1.00 H new ATOM 0 HH11 ARG A 53 5.960 -12.880 15.021 1.00 1.00 H new ATOM 0 HH12 ARG A 53 4.722 -12.894 16.282 1.00 1.00 H new ATOM 0 HH21 ARG A 53 4.137 -9.452 16.088 1.00 1.00 H new ATOM 0 HH22 ARG A 53 3.699 -10.969 16.881 1.00 1.00 H new ATOM 855 N GLY A 54 3.210 -10.812 9.039 1.00 1.00 N ATOM 856 CA GLY A 54 1.820 -10.385 8.939 1.00 1.00 C ATOM 857 C GLY A 54 1.719 -8.870 8.793 1.00 1.00 C ATOM 858 O GLY A 54 0.695 -8.273 9.128 1.00 1.00 O ATOM 0 H GLY A 54 3.641 -11.073 8.152 1.00 1.00 H new ATOM 0 HA2 GLY A 54 1.349 -10.868 8.083 1.00 1.00 H new ATOM 0 HA3 GLY A 54 1.273 -10.705 9.826 1.00 1.00 H new ATOM 862 N PHE A 55 2.784 -8.252 8.291 1.00 1.00 N ATOM 863 CA PHE A 55 2.802 -6.803 8.106 1.00 1.00 C ATOM 864 C PHE A 55 3.855 -6.405 7.076 1.00 1.00 C ATOM 865 O PHE A 55 4.910 -7.031 6.981 1.00 1.00 O ATOM 866 CB PHE A 55 3.098 -6.106 9.437 1.00 1.00 C ATOM 867 CG PHE A 55 1.983 -6.387 10.415 1.00 1.00 C ATOM 868 CD1 PHE A 55 0.790 -5.657 10.346 1.00 1.00 C ATOM 869 CD2 PHE A 55 2.141 -7.378 11.390 1.00 1.00 C ATOM 870 CE1 PHE A 55 -0.244 -5.919 11.251 1.00 1.00 C ATOM 871 CE2 PHE A 55 1.105 -7.640 12.298 1.00 1.00 C ATOM 872 CZ PHE A 55 -0.086 -6.909 12.227 1.00 1.00 C ATOM 0 H PHE A 55 3.641 -8.727 8.007 1.00 1.00 H new ATOM 0 HA PHE A 55 1.822 -6.492 7.745 1.00 1.00 H new ATOM 0 HB2 PHE A 55 4.047 -6.459 9.841 1.00 1.00 H new ATOM 0 HB3 PHE A 55 3.197 -5.032 9.282 1.00 1.00 H new ATOM 0 HD1 PHE A 55 0.668 -4.892 9.594 1.00 1.00 H new ATOM 0 HD2 PHE A 55 3.061 -7.941 11.443 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -1.165 -5.357 11.196 1.00 1.00 H new ATOM 0 HE2 PHE A 55 1.226 -8.405 13.051 1.00 1.00 H new ATOM 0 HZ PHE A 55 -0.884 -7.109 12.926 1.00 1.00 H new ATOM 882 N ALA A 56 3.561 -5.362 6.304 1.00 1.00 N ATOM 883 CA ALA A 56 4.493 -4.896 5.281 1.00 1.00 C ATOM 884 C ALA A 56 4.338 -3.394 5.055 1.00 1.00 C ATOM 885 O ALA A 56 3.223 -2.870 5.050 1.00 1.00 O ATOM 886 CB ALA A 56 4.237 -5.635 3.969 1.00 1.00 C ATOM 0 H ALA A 56 2.694 -4.828 6.366 1.00 1.00 H new ATOM 0 HA ALA A 56 5.508 -5.098 5.624 1.00 1.00 H new ATOM 0 HB1 ALA A 56 4.936 -5.282 3.210 1.00 1.00 H new ATOM 0 HB2 ALA A 56 4.376 -6.705 4.121 1.00 1.00 H new ATOM 0 HB3 ALA A 56 3.216 -5.445 3.638 1.00 1.00 H new ATOM 892 N PHE A 57 5.463 -2.710 4.863 1.00 1.00 N ATOM 893 CA PHE A 57 5.446 -1.270 4.630 1.00 1.00 C ATOM 894 C PHE A 57 5.767 -0.964 3.170 1.00 1.00 C ATOM 895 O PHE A 57 6.701 -1.530 2.600 1.00 1.00 O ATOM 896 CB PHE A 57 6.471 -0.582 5.535 1.00 1.00 C ATOM 897 CG PHE A 57 5.764 0.084 6.692 1.00 1.00 C ATOM 898 CD1 PHE A 57 5.170 1.340 6.519 1.00 1.00 C ATOM 899 CD2 PHE A 57 5.707 -0.553 7.937 1.00 1.00 C ATOM 900 CE1 PHE A 57 4.518 1.959 7.592 1.00 1.00 C ATOM 901 CE2 PHE A 57 5.055 0.067 9.011 1.00 1.00 C ATOM 902 CZ PHE A 57 4.461 1.323 8.837 1.00 1.00 C ATOM 0 H PHE A 57 6.393 -3.128 4.864 1.00 1.00 H new ATOM 0 HA PHE A 57 4.449 -0.893 4.860 1.00 1.00 H new ATOM 0 HB2 PHE A 57 7.190 -1.312 5.907 1.00 1.00 H new ATOM 0 HB3 PHE A 57 7.034 0.158 4.966 1.00 1.00 H new ATOM 0 HD1 PHE A 57 5.215 1.831 5.558 1.00 1.00 H new ATOM 0 HD2 PHE A 57 6.165 -1.522 8.070 1.00 1.00 H new ATOM 0 HE1 PHE A 57 4.059 2.927 7.459 1.00 1.00 H new ATOM 0 HE2 PHE A 57 5.011 -0.423 9.972 1.00 1.00 H new ATOM 0 HZ PHE A 57 3.958 1.801 9.665 1.00 1.00 H new ATOM 912 N VAL A 58 4.986 -0.071 2.568 1.00 1.00 N ATOM 913 CA VAL A 58 5.196 0.298 1.171 1.00 1.00 C ATOM 914 C VAL A 58 5.063 1.806 0.991 1.00 1.00 C ATOM 915 O VAL A 58 4.051 2.394 1.372 1.00 1.00 O ATOM 916 CB VAL A 58 4.171 -0.412 0.281 1.00 1.00 C ATOM 917 CG1 VAL A 58 4.884 -1.095 -0.889 1.00 1.00 C ATOM 918 CG2 VAL A 58 3.418 -1.463 1.099 1.00 1.00 C ATOM 0 H VAL A 58 4.208 0.407 3.021 1.00 1.00 H new ATOM 0 HA VAL A 58 6.202 -0.007 0.883 1.00 1.00 H new ATOM 0 HB VAL A 58 3.465 0.323 -0.105 1.00 1.00 H new ATOM 0 HG11 VAL A 58 4.150 -1.598 -1.518 1.00 1.00 H new ATOM 0 HG12 VAL A 58 5.415 -0.347 -1.478 1.00 1.00 H new ATOM 0 HG13 VAL A 58 5.595 -1.826 -0.505 1.00 1.00 H new ATOM 0 HG21 VAL A 58 2.690 -1.966 0.463 1.00 1.00 H new ATOM 0 HG22 VAL A 58 4.125 -2.195 1.490 1.00 1.00 H new ATOM 0 HG23 VAL A 58 2.902 -0.978 1.928 1.00 1.00 H new ATOM 928 N GLN A 59 6.086 2.424 0.403 1.00 1.00 N ATOM 929 CA GLN A 59 6.067 3.866 0.173 1.00 1.00 C ATOM 930 C GLN A 59 5.989 4.158 -1.321 1.00 1.00 C ATOM 931 O GLN A 59 6.439 3.357 -2.140 1.00 1.00 O ATOM 932 CB GLN A 59 7.326 4.506 0.761 1.00 1.00 C ATOM 933 CG GLN A 59 7.411 4.187 2.255 1.00 1.00 C ATOM 934 CD GLN A 59 8.442 3.090 2.495 1.00 1.00 C ATOM 935 OE1 GLN A 59 9.653 3.233 2.029 1.00 1.00 O flip ATOM 936 NE2 GLN A 59 8.135 2.073 3.118 1.00 1.00 N flip ATOM 0 H GLN A 59 6.931 1.953 0.080 1.00 1.00 H new ATOM 0 HA GLN A 59 5.190 4.288 0.663 1.00 1.00 H new ATOM 0 HB2 GLN A 59 8.211 4.131 0.247 1.00 1.00 H new ATOM 0 HB3 GLN A 59 7.303 5.585 0.610 1.00 1.00 H new ATOM 0 HG2 GLN A 59 7.685 5.083 2.812 1.00 1.00 H new ATOM 0 HG3 GLN A 59 6.436 3.868 2.623 1.00 1.00 H new ATOM 0 HE21 GLN A 59 7.188 1.964 3.481 1.00 1.00 H new ATOM 0 HE22 GLN A 59 8.828 1.340 3.271 1.00 1.00 H new ATOM 945 N LEU A 60 5.412 5.306 -1.668 1.00 1.00 N ATOM 946 CA LEU A 60 5.275 5.691 -3.072 1.00 1.00 C ATOM 947 C LEU A 60 6.200 6.864 -3.387 1.00 1.00 C ATOM 948 O LEU A 60 6.725 7.513 -2.483 1.00 1.00 O ATOM 949 CB LEU A 60 3.820 6.087 -3.372 1.00 1.00 C ATOM 950 CG LEU A 60 2.979 4.865 -3.785 1.00 1.00 C ATOM 951 CD1 LEU A 60 3.490 4.287 -5.108 1.00 1.00 C ATOM 952 CD2 LEU A 60 3.045 3.783 -2.705 1.00 1.00 C ATOM 0 H LEU A 60 5.034 5.981 -1.003 1.00 1.00 H new ATOM 0 HA LEU A 60 5.550 4.840 -3.695 1.00 1.00 H new ATOM 0 HB2 LEU A 60 3.379 6.553 -2.491 1.00 1.00 H new ATOM 0 HB3 LEU A 60 3.801 6.830 -4.169 1.00 1.00 H new ATOM 0 HG LEU A 60 1.946 5.191 -3.908 1.00 1.00 H new ATOM 0 HD11 LEU A 60 2.885 3.424 -5.386 1.00 1.00 H new ATOM 0 HD12 LEU A 60 3.420 5.045 -5.888 1.00 1.00 H new ATOM 0 HD13 LEU A 60 4.529 3.980 -4.993 1.00 1.00 H new ATOM 0 HD21 LEU A 60 2.446 2.926 -3.012 1.00 1.00 H new ATOM 0 HD22 LEU A 60 4.080 3.471 -2.566 1.00 1.00 H new ATOM 0 HD23 LEU A 60 2.657 4.181 -1.767 1.00 1.00 H new ATOM 964 N SER A 61 6.401 7.126 -4.676 1.00 1.00 N ATOM 965 CA SER A 61 7.272 8.219 -5.099 1.00 1.00 C ATOM 966 C SER A 61 6.789 9.555 -4.542 1.00 1.00 C ATOM 967 O SER A 61 7.594 10.406 -4.166 1.00 1.00 O ATOM 968 CB SER A 61 7.318 8.288 -6.625 1.00 1.00 C ATOM 969 OG SER A 61 7.866 7.080 -7.135 1.00 1.00 O ATOM 0 H SER A 61 5.976 6.601 -5.440 1.00 1.00 H new ATOM 0 HA SER A 61 8.271 8.024 -4.710 1.00 1.00 H new ATOM 0 HB2 SER A 61 6.315 8.442 -7.024 1.00 1.00 H new ATOM 0 HB3 SER A 61 7.922 9.138 -6.944 1.00 1.00 H new ATOM 0 HG SER A 61 7.895 7.121 -8.114 1.00 1.00 H new ATOM 975 N SER A 62 5.474 9.728 -4.499 1.00 1.00 N ATOM 976 CA SER A 62 4.886 10.965 -3.993 1.00 1.00 C ATOM 977 C SER A 62 3.837 10.664 -2.930 1.00 1.00 C ATOM 978 O SER A 62 3.608 9.506 -2.577 1.00 1.00 O ATOM 979 CB SER A 62 4.243 11.744 -5.141 1.00 1.00 C ATOM 980 OG SER A 62 5.044 11.605 -6.307 1.00 1.00 O ATOM 0 H SER A 62 4.795 9.031 -4.807 1.00 1.00 H new ATOM 0 HA SER A 62 5.678 11.565 -3.545 1.00 1.00 H new ATOM 0 HB2 SER A 62 3.236 11.371 -5.330 1.00 1.00 H new ATOM 0 HB3 SER A 62 4.148 12.796 -4.874 1.00 1.00 H new ATOM 0 HG SER A 62 4.635 12.101 -7.046 1.00 1.00 H new ATOM 986 N ALA A 63 3.200 11.714 -2.422 1.00 1.00 N ATOM 987 CA ALA A 63 2.176 11.552 -1.397 1.00 1.00 C ATOM 988 C ALA A 63 0.825 11.236 -2.032 1.00 1.00 C ATOM 989 O ALA A 63 0.095 10.367 -1.558 1.00 1.00 O ATOM 990 CB ALA A 63 2.065 12.829 -0.562 1.00 1.00 C ATOM 0 H ALA A 63 3.373 12.680 -2.701 1.00 1.00 H new ATOM 0 HA ALA A 63 2.463 10.721 -0.752 1.00 1.00 H new ATOM 0 HB1 ALA A 63 1.298 12.699 0.201 1.00 1.00 H new ATOM 0 HB2 ALA A 63 3.022 13.035 -0.083 1.00 1.00 H new ATOM 0 HB3 ALA A 63 1.796 13.664 -1.209 1.00 1.00 H new ATOM 996 N MET A 64 0.501 11.946 -3.106 1.00 1.00 N ATOM 997 CA MET A 64 -0.766 11.730 -3.797 1.00 1.00 C ATOM 998 C MET A 64 -0.870 10.288 -4.280 1.00 1.00 C ATOM 999 O MET A 64 -1.953 9.703 -4.293 1.00 1.00 O ATOM 1000 CB MET A 64 -0.880 12.679 -4.991 1.00 1.00 C ATOM 1001 CG MET A 64 0.104 13.838 -4.821 1.00 1.00 C ATOM 1002 SD MET A 64 -0.326 15.169 -5.970 1.00 1.00 S ATOM 1003 CE MET A 64 0.435 14.453 -7.446 1.00 1.00 C ATOM 0 H MET A 64 1.091 12.670 -3.515 1.00 1.00 H new ATOM 0 HA MET A 64 -1.579 11.929 -3.098 1.00 1.00 H new ATOM 0 HB2 MET A 64 -0.669 12.143 -5.916 1.00 1.00 H new ATOM 0 HB3 MET A 64 -1.898 13.061 -5.069 1.00 1.00 H new ATOM 0 HG2 MET A 64 0.076 14.205 -3.795 1.00 1.00 H new ATOM 0 HG3 MET A 64 1.122 13.496 -5.009 1.00 1.00 H new ATOM 0 HE1 MET A 64 1.293 15.056 -7.742 1.00 1.00 H new ATOM 0 HE2 MET A 64 0.764 13.437 -7.229 1.00 1.00 H new ATOM 0 HE3 MET A 64 -0.292 14.434 -8.258 1.00 1.00 H new ATOM 1013 N ASP A 65 0.264 9.719 -4.679 1.00 1.00 N ATOM 1014 CA ASP A 65 0.290 8.346 -5.164 1.00 1.00 C ATOM 1015 C ASP A 65 -0.166 7.381 -4.072 1.00 1.00 C ATOM 1016 O ASP A 65 -0.815 6.374 -4.353 1.00 1.00 O ATOM 1017 CB ASP A 65 1.706 7.978 -5.615 1.00 1.00 C ATOM 1018 CG ASP A 65 1.888 8.330 -7.088 1.00 1.00 C ATOM 1019 OD1 ASP A 65 2.273 9.454 -7.366 1.00 1.00 O ATOM 1020 OD2 ASP A 65 1.640 7.469 -7.916 1.00 1.00 O ATOM 0 H ASP A 65 1.171 10.186 -4.676 1.00 1.00 H new ATOM 0 HA ASP A 65 -0.393 8.267 -6.010 1.00 1.00 H new ATOM 0 HB2 ASP A 65 2.440 8.512 -5.011 1.00 1.00 H new ATOM 0 HB3 ASP A 65 1.881 6.913 -5.462 1.00 1.00 H new ATOM 1025 N ALA A 66 0.181 7.694 -2.827 1.00 1.00 N ATOM 1026 CA ALA A 66 -0.199 6.845 -1.703 1.00 1.00 C ATOM 1027 C ALA A 66 -1.718 6.754 -1.591 1.00 1.00 C ATOM 1028 O ALA A 66 -2.281 5.660 -1.544 1.00 1.00 O ATOM 1029 CB ALA A 66 0.376 7.406 -0.401 1.00 1.00 C ATOM 0 H ALA A 66 0.720 8.522 -2.572 1.00 1.00 H new ATOM 0 HA ALA A 66 0.204 5.847 -1.876 1.00 1.00 H new ATOM 0 HB1 ALA A 66 0.086 6.764 0.431 1.00 1.00 H new ATOM 0 HB2 ALA A 66 1.463 7.442 -0.469 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -0.011 8.411 -0.236 1.00 1.00 H new ATOM 1035 N SER A 67 -2.374 7.908 -1.548 1.00 1.00 N ATOM 1036 CA SER A 67 -3.829 7.943 -1.442 1.00 1.00 C ATOM 1037 C SER A 67 -4.464 7.292 -2.665 1.00 1.00 C ATOM 1038 O SER A 67 -5.460 6.577 -2.554 1.00 1.00 O ATOM 1039 CB SER A 67 -4.309 9.389 -1.324 1.00 1.00 C ATOM 1040 OG SER A 67 -3.611 10.030 -0.264 1.00 1.00 O ATOM 0 H SER A 67 -1.927 8.824 -1.584 1.00 1.00 H new ATOM 0 HA SER A 67 -4.126 7.390 -0.551 1.00 1.00 H new ATOM 0 HB2 SER A 67 -4.137 9.919 -2.261 1.00 1.00 H new ATOM 0 HB3 SER A 67 -5.382 9.414 -1.136 1.00 1.00 H new ATOM 0 HG SER A 67 -3.915 10.958 -0.186 1.00 1.00 H new ATOM 1046 N GLN A 68 -3.881 7.545 -3.831 1.00 1.00 N ATOM 1047 CA GLN A 68 -4.393 6.984 -5.071 1.00 1.00 C ATOM 1048 C GLN A 68 -4.464 5.462 -4.985 1.00 1.00 C ATOM 1049 O GLN A 68 -5.518 4.868 -5.207 1.00 1.00 O ATOM 1050 CB GLN A 68 -3.482 7.388 -6.231 1.00 1.00 C ATOM 1051 CG GLN A 68 -4.303 8.107 -7.301 1.00 1.00 C ATOM 1052 CD GLN A 68 -3.453 8.342 -8.547 1.00 1.00 C ATOM 1053 OE1 GLN A 68 -2.542 7.470 -8.878 1.00 1.00 O flip ATOM 1054 NE2 GLN A 68 -3.627 9.347 -9.235 1.00 1.00 N flip ATOM 0 H GLN A 68 -3.055 8.134 -3.942 1.00 1.00 H new ATOM 0 HA GLN A 68 -5.398 7.371 -5.239 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.685 8.039 -5.871 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -3.005 6.505 -6.656 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -5.180 7.513 -7.557 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -4.665 9.059 -6.914 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -4.341 10.027 -8.973 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -3.058 9.500 -10.067 1.00 1.00 H new ATOM 1063 N LEU A 69 -3.336 4.837 -4.661 1.00 1.00 N ATOM 1064 CA LEU A 69 -3.287 3.383 -4.550 1.00 1.00 C ATOM 1065 C LEU A 69 -4.218 2.905 -3.441 1.00 1.00 C ATOM 1066 O LEU A 69 -4.686 1.767 -3.455 1.00 1.00 O ATOM 1067 CB LEU A 69 -1.854 2.926 -4.253 1.00 1.00 C ATOM 1068 CG LEU A 69 -1.544 1.644 -5.032 1.00 1.00 C ATOM 1069 CD1 LEU A 69 -0.100 1.217 -4.752 1.00 1.00 C ATOM 1070 CD2 LEU A 69 -2.495 0.529 -4.591 1.00 1.00 C ATOM 0 H LEU A 69 -2.452 5.309 -4.472 1.00 1.00 H new ATOM 0 HA LEU A 69 -3.613 2.952 -5.497 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -1.148 3.710 -4.529 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -1.733 2.751 -3.184 1.00 1.00 H new ATOM 0 HG LEU A 69 -1.674 1.830 -6.098 1.00 1.00 H new ATOM 0 HD11 LEU A 69 0.123 0.305 -5.305 1.00 1.00 H new ATOM 0 HD12 LEU A 69 0.581 2.008 -5.066 1.00 1.00 H new ATOM 0 HD13 LEU A 69 0.025 1.034 -3.685 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -2.271 -0.381 -5.147 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -2.368 0.343 -3.525 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -3.524 0.830 -4.787 1.00 1.00 H new ATOM 1082 N LEU A 70 -4.484 3.784 -2.483 1.00 1.00 N ATOM 1083 CA LEU A 70 -5.364 3.443 -1.370 1.00 1.00 C ATOM 1084 C LEU A 70 -6.824 3.569 -1.793 1.00 1.00 C ATOM 1085 O LEU A 70 -7.659 2.749 -1.422 1.00 1.00 O ATOM 1086 CB LEU A 70 -5.084 4.364 -0.176 1.00 1.00 C ATOM 1087 CG LEU A 70 -4.815 3.535 1.091 1.00 1.00 C ATOM 1088 CD1 LEU A 70 -4.364 4.460 2.221 1.00 1.00 C ATOM 1089 CD2 LEU A 70 -6.092 2.809 1.526 1.00 1.00 C ATOM 0 H LEU A 70 -4.107 4.731 -2.453 1.00 1.00 H new ATOM 0 HA LEU A 70 -5.171 2.411 -1.076 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -4.224 4.998 -0.392 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -5.935 5.025 -0.012 1.00 1.00 H new ATOM 0 HG LEU A 70 -4.037 2.804 0.873 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -4.174 3.872 3.119 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -3.451 4.977 1.926 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -5.145 5.192 2.426 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -5.891 2.225 2.424 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -6.873 3.540 1.736 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -6.423 2.145 0.728 1.00 1.00 H new ATOM 1101 N GLN A 71 -7.125 4.598 -2.575 1.00 1.00 N ATOM 1102 CA GLN A 71 -8.489 4.812 -3.042 1.00 1.00 C ATOM 1103 C GLN A 71 -8.780 3.953 -4.269 1.00 1.00 C ATOM 1104 O GLN A 71 -9.927 3.596 -4.532 1.00 1.00 O ATOM 1105 CB GLN A 71 -8.694 6.287 -3.387 1.00 1.00 C ATOM 1106 CG GLN A 71 -10.052 6.465 -4.066 1.00 1.00 C ATOM 1107 CD GLN A 71 -10.655 7.810 -3.674 1.00 1.00 C ATOM 1108 OE1 GLN A 71 -11.343 7.911 -2.657 1.00 1.00 O ATOM 1109 NE2 GLN A 71 -10.431 8.856 -4.420 1.00 1.00 N ATOM 0 H GLN A 71 -6.450 5.292 -2.897 1.00 1.00 H new ATOM 0 HA GLN A 71 -9.175 4.525 -2.245 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -8.645 6.894 -2.483 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -7.897 6.632 -4.046 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -9.937 6.410 -5.149 1.00 1.00 H new ATOM 0 HG3 GLN A 71 -10.723 5.657 -3.775 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -9.861 8.770 -5.261 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -10.826 9.760 -4.162 1.00 1.00 H new ATOM 1118 N ILE A 72 -7.732 3.632 -5.022 1.00 1.00 N ATOM 1119 CA ILE A 72 -7.889 2.821 -6.224 1.00 1.00 C ATOM 1120 C ILE A 72 -8.113 1.354 -5.866 1.00 1.00 C ATOM 1121 O ILE A 72 -8.899 0.663 -6.515 1.00 1.00 O ATOM 1122 CB ILE A 72 -6.645 2.954 -7.106 1.00 1.00 C ATOM 1123 CG1 ILE A 72 -6.665 4.315 -7.808 1.00 1.00 C ATOM 1124 CG2 ILE A 72 -6.638 1.845 -8.157 1.00 1.00 C ATOM 1125 CD1 ILE A 72 -5.284 4.604 -8.405 1.00 1.00 C ATOM 0 H ILE A 72 -6.773 3.918 -4.823 1.00 1.00 H new ATOM 0 HA ILE A 72 -8.762 3.180 -6.769 1.00 1.00 H new ATOM 0 HB ILE A 72 -5.752 2.871 -6.486 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -7.420 4.319 -8.594 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -6.937 5.097 -7.100 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -5.751 1.943 -8.783 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -6.627 0.874 -7.661 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -7.531 1.926 -8.777 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -5.299 5.573 -8.904 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -4.539 4.617 -7.609 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -5.030 3.828 -9.127 1.00 1.00 H new ATOM 1137 N LEU A 73 -7.418 0.883 -4.835 1.00 1.00 N ATOM 1138 CA LEU A 73 -7.556 -0.506 -4.410 1.00 1.00 C ATOM 1139 C LEU A 73 -8.801 -0.686 -3.546 1.00 1.00 C ATOM 1140 O LEU A 73 -9.460 -1.724 -3.603 1.00 1.00 O ATOM 1141 CB LEU A 73 -6.315 -0.939 -3.625 1.00 1.00 C ATOM 1142 CG LEU A 73 -6.303 -2.464 -3.480 1.00 1.00 C ATOM 1143 CD1 LEU A 73 -5.610 -3.093 -4.691 1.00 1.00 C ATOM 1144 CD2 LEU A 73 -5.541 -2.843 -2.210 1.00 1.00 C ATOM 0 H LEU A 73 -6.761 1.435 -4.284 1.00 1.00 H new ATOM 0 HA LEU A 73 -7.657 -1.128 -5.299 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -5.413 -0.606 -4.139 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -6.313 -0.470 -2.641 1.00 1.00 H new ATOM 0 HG LEU A 73 -7.328 -2.830 -3.420 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -5.604 -4.178 -4.584 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -6.147 -2.821 -5.600 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -4.585 -2.729 -4.753 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -5.530 -3.928 -2.102 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.517 -2.474 -2.276 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -6.032 -2.398 -1.345 1.00 1.00 H new ATOM 1156 N GLN A 74 -9.123 0.332 -2.754 1.00 1.00 N ATOM 1157 CA GLN A 74 -10.301 0.269 -1.891 1.00 1.00 C ATOM 1158 C GLN A 74 -11.555 0.617 -2.689 1.00 1.00 C ATOM 1159 O GLN A 74 -12.676 0.439 -2.214 1.00 1.00 O ATOM 1160 CB GLN A 74 -10.165 1.238 -0.712 1.00 1.00 C ATOM 1161 CG GLN A 74 -9.052 0.762 0.224 1.00 1.00 C ATOM 1162 CD GLN A 74 -8.954 1.699 1.423 1.00 1.00 C ATOM 1163 OE1 GLN A 74 -9.214 2.895 1.300 1.00 1.00 O ATOM 1164 NE2 GLN A 74 -8.596 1.222 2.585 1.00 1.00 N ATOM 0 H GLN A 74 -8.593 1.201 -2.691 1.00 1.00 H new ATOM 0 HA GLN A 74 -10.383 -0.747 -1.505 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -9.942 2.240 -1.077 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -11.108 1.299 -0.169 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -9.256 -0.255 0.560 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -8.101 0.737 -0.309 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -8.381 0.230 2.685 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -8.532 1.842 3.393 1.00 1.00 H new ATOM 1173 N SER A 75 -11.352 1.118 -3.905 1.00 1.00 N ATOM 1174 CA SER A 75 -12.468 1.492 -4.765 1.00 1.00 C ATOM 1175 C SER A 75 -13.202 0.249 -5.254 1.00 1.00 C ATOM 1176 O SER A 75 -14.386 0.307 -5.586 1.00 1.00 O ATOM 1177 CB SER A 75 -11.960 2.291 -5.964 1.00 1.00 C ATOM 1178 OG SER A 75 -12.031 3.680 -5.668 1.00 1.00 O ATOM 0 H SER A 75 -10.430 1.273 -4.314 1.00 1.00 H new ATOM 0 HA SER A 75 -13.158 2.107 -4.188 1.00 1.00 H new ATOM 0 HB2 SER A 75 -10.933 2.009 -6.195 1.00 1.00 H new ATOM 0 HB3 SER A 75 -12.559 2.065 -6.846 1.00 1.00 H new ATOM 0 HG SER A 75 -11.166 3.986 -5.323 1.00 1.00 H new ATOM 1184 N LEU A 76 -12.495 -0.877 -5.285 1.00 1.00 N ATOM 1185 CA LEU A 76 -13.100 -2.127 -5.725 1.00 1.00 C ATOM 1186 C LEU A 76 -14.127 -2.587 -4.695 1.00 1.00 C ATOM 1187 O LEU A 76 -13.867 -2.551 -3.492 1.00 1.00 O ATOM 1188 CB LEU A 76 -12.026 -3.206 -5.906 1.00 1.00 C ATOM 1189 CG LEU A 76 -10.977 -2.744 -6.929 1.00 1.00 C ATOM 1190 CD1 LEU A 76 -9.655 -3.472 -6.673 1.00 1.00 C ATOM 1191 CD2 LEU A 76 -11.459 -3.069 -8.348 1.00 1.00 C ATOM 0 H LEU A 76 -11.514 -0.949 -5.014 1.00 1.00 H new ATOM 0 HA LEU A 76 -13.594 -1.963 -6.683 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -11.545 -3.415 -4.950 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -12.487 -4.135 -6.241 1.00 1.00 H new ATOM 0 HG LEU A 76 -10.832 -1.668 -6.829 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -8.912 -3.143 -7.400 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -9.304 -3.245 -5.666 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -9.807 -4.547 -6.770 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -10.712 -2.740 -9.070 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -11.608 -4.145 -8.444 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -12.400 -2.554 -8.539 1.00 1.00 H new ATOM 1203 N HIS A 77 -15.294 -3.009 -5.167 1.00 1.00 N ATOM 1204 CA HIS A 77 -16.346 -3.456 -4.258 1.00 1.00 C ATOM 1205 C HIS A 77 -15.788 -4.431 -3.222 1.00 1.00 C ATOM 1206 O HIS A 77 -15.892 -4.182 -2.021 1.00 1.00 O ATOM 1207 CB HIS A 77 -17.503 -4.100 -5.031 1.00 1.00 C ATOM 1208 CG HIS A 77 -18.701 -3.193 -4.980 1.00 1.00 C ATOM 1209 ND1 HIS A 77 -18.985 -2.282 -5.986 1.00 1.00 N ATOM 1210 CD2 HIS A 77 -19.699 -3.046 -4.049 1.00 1.00 C ATOM 1211 CE1 HIS A 77 -20.112 -1.633 -5.639 1.00 1.00 C ATOM 1212 NE2 HIS A 77 -20.589 -2.060 -4.467 1.00 1.00 N ATOM 0 H HIS A 77 -15.535 -3.052 -6.157 1.00 1.00 H new ATOM 0 HA HIS A 77 -16.731 -2.580 -3.736 1.00 1.00 H new ATOM 0 HB2 HIS A 77 -17.210 -4.277 -6.066 1.00 1.00 H new ATOM 0 HB3 HIS A 77 -17.748 -5.070 -4.599 1.00 1.00 H new ATOM 0 HD2 HIS A 77 -19.781 -3.610 -3.131 1.00 1.00 H new ATOM 0 HE1 HIS A 77 -20.574 -0.861 -6.236 1.00 1.00 H new ATOM 0 HE2 HIS A 77 -21.425 -1.734 -3.982 1.00 1.00 H new ATOM 1220 N PRO A 78 -15.185 -5.519 -3.642 1.00 1.00 N ATOM 1221 CA PRO A 78 -14.598 -6.510 -2.698 1.00 1.00 C ATOM 1222 C PRO A 78 -13.237 -6.042 -2.168 1.00 1.00 C ATOM 1223 O PRO A 78 -12.513 -5.333 -2.869 1.00 1.00 O ATOM 1224 CB PRO A 78 -14.436 -7.761 -3.559 1.00 1.00 C ATOM 1225 CG PRO A 78 -14.205 -7.242 -4.938 1.00 1.00 C ATOM 1226 CD PRO A 78 -14.996 -5.937 -5.048 1.00 1.00 C ATOM 0 HA PRO A 78 -15.219 -6.667 -1.816 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -13.598 -8.370 -3.219 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -15.325 -8.390 -3.516 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -13.143 -7.068 -5.115 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -14.539 -7.962 -5.685 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -14.450 -5.186 -5.619 1.00 1.00 H new ATOM 0 HD3 PRO A 78 -15.951 -6.089 -5.552 1.00 1.00 H new ATOM 1234 N PRO A 79 -12.864 -6.422 -0.969 1.00 1.00 N ATOM 1235 CA PRO A 79 -11.551 -6.022 -0.384 1.00 1.00 C ATOM 1236 C PRO A 79 -10.394 -6.772 -1.044 1.00 1.00 C ATOM 1237 O PRO A 79 -10.611 -7.752 -1.754 1.00 1.00 O ATOM 1238 CB PRO A 79 -11.684 -6.404 1.095 1.00 1.00 C ATOM 1239 CG PRO A 79 -12.683 -7.512 1.125 1.00 1.00 C ATOM 1240 CD PRO A 79 -13.640 -7.266 -0.042 1.00 1.00 C ATOM 0 HA PRO A 79 -11.331 -4.965 -0.532 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -10.727 -6.725 1.506 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -12.019 -5.556 1.692 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -12.192 -8.480 1.026 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -13.222 -7.523 2.073 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -13.944 -8.201 -0.513 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -14.550 -6.765 0.287 1.00 1.00 H new ATOM 1248 N LEU A 80 -9.168 -6.313 -0.806 1.00 1.00 N ATOM 1249 CA LEU A 80 -8.005 -6.968 -1.393 1.00 1.00 C ATOM 1250 C LEU A 80 -7.923 -8.411 -0.908 1.00 1.00 C ATOM 1251 O LEU A 80 -7.876 -8.667 0.296 1.00 1.00 O ATOM 1252 CB LEU A 80 -6.731 -6.202 -1.013 1.00 1.00 C ATOM 1253 CG LEU A 80 -5.502 -6.858 -1.659 1.00 1.00 C ATOM 1254 CD1 LEU A 80 -5.622 -6.806 -3.184 1.00 1.00 C ATOM 1255 CD2 LEU A 80 -4.244 -6.102 -1.227 1.00 1.00 C ATOM 0 H LEU A 80 -8.957 -5.504 -0.221 1.00 1.00 H new ATOM 0 HA LEU A 80 -8.102 -6.970 -2.479 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -6.811 -5.165 -1.339 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -6.617 -6.188 0.071 1.00 1.00 H new ATOM 0 HG LEU A 80 -5.440 -7.898 -1.340 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -4.746 -7.273 -3.634 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.519 -7.340 -3.497 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -5.686 -5.767 -3.509 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -3.368 -6.563 -1.683 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -4.316 -5.063 -1.548 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -4.151 -6.140 -0.142 1.00 1.00 H new ATOM 1267 N LYS A 81 -7.920 -9.349 -1.853 1.00 1.00 N ATOM 1268 CA LYS A 81 -7.854 -10.769 -1.514 1.00 1.00 C ATOM 1269 C LYS A 81 -6.571 -11.393 -2.046 1.00 1.00 C ATOM 1270 O LYS A 81 -6.223 -11.237 -3.217 1.00 1.00 O ATOM 1271 CB LYS A 81 -9.071 -11.502 -2.106 1.00 1.00 C ATOM 1272 CG LYS A 81 -8.980 -13.014 -1.839 1.00 1.00 C ATOM 1273 CD LYS A 81 -8.943 -13.289 -0.334 1.00 1.00 C ATOM 1274 CE LYS A 81 -9.679 -14.598 -0.044 1.00 1.00 C ATOM 1275 NZ LYS A 81 -9.586 -14.910 1.409 1.00 1.00 N ATOM 0 H LYS A 81 -7.962 -9.153 -2.853 1.00 1.00 H new ATOM 0 HA LYS A 81 -7.862 -10.865 -0.428 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -9.988 -11.106 -1.670 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -9.124 -11.320 -3.179 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -9.835 -13.521 -2.287 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -8.085 -13.420 -2.311 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -7.911 -13.354 0.011 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -9.409 -12.467 0.210 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -10.724 -14.514 -0.342 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -9.245 -15.409 -0.629 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -10.306 -15.618 1.659 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -8.641 -15.287 1.623 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -9.747 -14.043 1.961 1.00 1.00 H new ATOM 1289 N ILE A 82 -5.887 -12.117 -1.173 1.00 1.00 N ATOM 1290 CA ILE A 82 -4.653 -12.796 -1.539 1.00 1.00 C ATOM 1291 C ILE A 82 -4.683 -14.210 -0.975 1.00 1.00 C ATOM 1292 O ILE A 82 -5.049 -14.404 0.184 1.00 1.00 O ATOM 1293 CB ILE A 82 -3.445 -12.038 -0.983 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -3.433 -10.615 -1.551 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -2.154 -12.757 -1.387 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -2.323 -9.800 -0.881 1.00 1.00 C ATOM 0 H ILE A 82 -6.167 -12.250 -0.201 1.00 1.00 H new ATOM 0 HA ILE A 82 -4.566 -12.833 -2.625 1.00 1.00 H new ATOM 0 HB ILE A 82 -3.512 -11.999 0.104 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -3.275 -10.645 -2.629 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -4.399 -10.138 -1.384 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -1.296 -12.215 -0.990 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -2.161 -13.770 -0.985 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -2.085 -12.798 -2.474 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -2.318 -8.789 -1.288 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -2.501 -9.758 0.194 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -1.359 -10.272 -1.071 1.00 1.00 H new ATOM 1308 N ASP A 83 -4.317 -15.191 -1.802 1.00 1.00 N ATOM 1309 CA ASP A 83 -4.323 -16.587 -1.371 1.00 1.00 C ATOM 1310 C ASP A 83 -3.944 -16.699 0.101 1.00 1.00 C ATOM 1311 O ASP A 83 -2.774 -16.574 0.464 1.00 1.00 O ATOM 1312 CB ASP A 83 -3.339 -17.394 -2.219 1.00 1.00 C ATOM 1313 CG ASP A 83 -3.649 -17.194 -3.700 1.00 1.00 C ATOM 1314 OD1 ASP A 83 -4.822 -17.165 -4.037 1.00 1.00 O ATOM 1315 OD2 ASP A 83 -2.713 -17.062 -4.470 1.00 1.00 O ATOM 0 H ASP A 83 -4.015 -15.045 -2.765 1.00 1.00 H new ATOM 0 HA ASP A 83 -5.329 -16.985 -1.502 1.00 1.00 H new ATOM 0 HB2 ASP A 83 -2.317 -17.079 -2.006 1.00 1.00 H new ATOM 0 HB3 ASP A 83 -3.406 -18.451 -1.963 1.00 1.00 H new ATOM 1320 N GLY A 84 -4.946 -16.931 0.945 1.00 1.00 N ATOM 1321 CA GLY A 84 -4.709 -17.051 2.376 1.00 1.00 C ATOM 1322 C GLY A 84 -5.856 -16.460 3.192 1.00 1.00 C ATOM 1323 O GLY A 84 -6.353 -17.094 4.122 1.00 1.00 O ATOM 0 H GLY A 84 -5.921 -17.038 0.664 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -4.581 -18.102 2.636 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -3.780 -16.543 2.634 1.00 1.00 H new ATOM 1327 N LYS A 85 -6.269 -15.240 2.852 1.00 1.00 N ATOM 1328 CA LYS A 85 -7.352 -14.586 3.581 1.00 1.00 C ATOM 1329 C LYS A 85 -7.596 -13.177 3.045 1.00 1.00 C ATOM 1330 O LYS A 85 -6.975 -12.758 2.068 1.00 1.00 O ATOM 1331 CB LYS A 85 -7.004 -14.514 5.071 1.00 1.00 C ATOM 1332 CG LYS A 85 -5.498 -14.293 5.238 1.00 1.00 C ATOM 1333 CD LYS A 85 -5.241 -13.446 6.487 1.00 1.00 C ATOM 1334 CE LYS A 85 -3.821 -13.703 6.995 1.00 1.00 C ATOM 1335 NZ LYS A 85 -3.298 -12.472 7.649 1.00 1.00 N ATOM 0 H LYS A 85 -5.876 -14.691 2.087 1.00 1.00 H new ATOM 0 HA LYS A 85 -8.261 -15.172 3.443 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -7.555 -13.702 5.544 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -7.304 -15.436 5.570 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -4.986 -15.252 5.324 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -5.093 -13.794 4.358 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -5.370 -12.389 6.255 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -5.966 -13.693 7.262 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -3.821 -14.532 7.703 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -3.173 -13.991 6.167 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -2.315 -12.629 7.949 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -3.332 -11.680 6.976 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -3.882 -12.245 8.479 1.00 1.00 H new ATOM 1349 N THR A 86 -8.506 -12.452 3.693 1.00 1.00 N ATOM 1350 CA THR A 86 -8.826 -11.091 3.273 1.00 1.00 C ATOM 1351 C THR A 86 -7.704 -10.132 3.656 1.00 1.00 C ATOM 1352 O THR A 86 -7.113 -10.255 4.729 1.00 1.00 O ATOM 1353 CB THR A 86 -10.133 -10.637 3.927 1.00 1.00 C ATOM 1354 OG1 THR A 86 -10.423 -9.306 3.527 1.00 1.00 O ATOM 1355 CG2 THR A 86 -9.993 -10.696 5.448 1.00 1.00 C ATOM 0 H THR A 86 -9.030 -12.781 4.504 1.00 1.00 H new ATOM 0 HA THR A 86 -8.939 -11.083 2.189 1.00 1.00 H new ATOM 0 HB THR A 86 -10.943 -11.295 3.614 1.00 1.00 H new ATOM 0 HG1 THR A 86 -11.261 -9.014 3.944 1.00 1.00 H new ATOM 0 HG21 THR A 86 -10.925 -10.372 5.912 1.00 1.00 H new ATOM 0 HG22 THR A 86 -9.772 -11.719 5.754 1.00 1.00 H new ATOM 0 HG23 THR A 86 -9.183 -10.039 5.765 1.00 1.00 H new ATOM 1363 N ILE A 87 -7.417 -9.182 2.768 1.00 1.00 N ATOM 1364 CA ILE A 87 -6.360 -8.204 3.014 1.00 1.00 C ATOM 1365 C ILE A 87 -6.929 -6.785 2.999 1.00 1.00 C ATOM 1366 O ILE A 87 -7.723 -6.431 2.123 1.00 1.00 O ATOM 1367 CB ILE A 87 -5.270 -8.338 1.948 1.00 1.00 C ATOM 1368 CG1 ILE A 87 -4.704 -9.766 1.960 1.00 1.00 C ATOM 1369 CG2 ILE A 87 -4.150 -7.333 2.228 1.00 1.00 C ATOM 1370 CD1 ILE A 87 -3.549 -9.872 2.960 1.00 1.00 C ATOM 0 H ILE A 87 -7.899 -9.069 1.876 1.00 1.00 H new ATOM 0 HA ILE A 87 -5.929 -8.396 3.997 1.00 1.00 H new ATOM 0 HB ILE A 87 -5.699 -8.133 0.967 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -5.490 -10.474 2.225 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -4.356 -10.035 0.963 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -3.375 -7.430 1.468 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -4.555 -6.321 2.206 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -3.721 -7.531 3.210 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -3.158 -10.889 2.958 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -2.757 -9.178 2.676 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -3.908 -9.624 3.959 1.00 1.00 H new ATOM 1382 N GLY A 88 -6.516 -5.982 3.980 1.00 1.00 N ATOM 1383 CA GLY A 88 -6.989 -4.605 4.085 1.00 1.00 C ATOM 1384 C GLY A 88 -5.863 -3.608 3.830 1.00 1.00 C ATOM 1385 O GLY A 88 -4.699 -3.989 3.699 1.00 1.00 O ATOM 0 H GLY A 88 -5.859 -6.261 4.708 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -7.793 -4.439 3.368 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -7.408 -4.437 5.077 1.00 1.00 H new ATOM 1389 N VAL A 89 -6.221 -2.329 3.767 1.00 1.00 N ATOM 1390 CA VAL A 89 -5.242 -1.272 3.530 1.00 1.00 C ATOM 1391 C VAL A 89 -5.441 -0.132 4.525 1.00 1.00 C ATOM 1392 O VAL A 89 -6.572 0.237 4.843 1.00 1.00 O ATOM 1393 CB VAL A 89 -5.389 -0.733 2.106 1.00 1.00 C ATOM 1394 CG1 VAL A 89 -4.202 0.173 1.777 1.00 1.00 C ATOM 1395 CG2 VAL A 89 -5.422 -1.900 1.119 1.00 1.00 C ATOM 0 H VAL A 89 -7.180 -1.999 3.876 1.00 1.00 H new ATOM 0 HA VAL A 89 -4.244 -1.690 3.660 1.00 1.00 H new ATOM 0 HB VAL A 89 -6.315 -0.163 2.030 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -4.307 0.557 0.762 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -4.175 1.006 2.479 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -3.276 -0.397 1.855 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -5.527 -1.516 0.104 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -4.496 -2.469 1.198 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -6.267 -2.548 1.350 1.00 1.00 H new ATOM 1405 N ASP A 90 -4.337 0.425 5.012 1.00 1.00 N ATOM 1406 CA ASP A 90 -4.408 1.524 5.969 1.00 1.00 C ATOM 1407 C ASP A 90 -3.310 2.545 5.692 1.00 1.00 C ATOM 1408 O ASP A 90 -2.320 2.242 5.024 1.00 1.00 O ATOM 1409 CB ASP A 90 -4.264 0.991 7.396 1.00 1.00 C ATOM 1410 CG ASP A 90 -3.539 2.015 8.263 1.00 1.00 C ATOM 1411 OD1 ASP A 90 -4.093 3.080 8.478 1.00 1.00 O ATOM 1412 OD2 ASP A 90 -2.438 1.719 8.698 1.00 1.00 O ATOM 0 H ASP A 90 -3.391 0.137 4.763 1.00 1.00 H new ATOM 0 HA ASP A 90 -5.378 2.010 5.862 1.00 1.00 H new ATOM 0 HB2 ASP A 90 -5.248 0.779 7.815 1.00 1.00 H new ATOM 0 HB3 ASP A 90 -3.711 0.052 7.388 1.00 1.00 H new ATOM 1417 N PHE A 91 -3.489 3.756 6.211 1.00 1.00 N ATOM 1418 CA PHE A 91 -2.503 4.814 6.014 1.00 1.00 C ATOM 1419 C PHE A 91 -1.318 4.616 6.954 1.00 1.00 C ATOM 1420 O PHE A 91 -1.341 3.744 7.821 1.00 1.00 O ATOM 1421 CB PHE A 91 -3.143 6.177 6.281 1.00 1.00 C ATOM 1422 CG PHE A 91 -3.744 6.717 5.003 1.00 1.00 C ATOM 1423 CD1 PHE A 91 -2.908 7.111 3.951 1.00 1.00 C ATOM 1424 CD2 PHE A 91 -5.132 6.828 4.872 1.00 1.00 C ATOM 1425 CE1 PHE A 91 -3.461 7.613 2.768 1.00 1.00 C ATOM 1426 CE2 PHE A 91 -5.687 7.330 3.690 1.00 1.00 C ATOM 1427 CZ PHE A 91 -4.852 7.723 2.637 1.00 1.00 C ATOM 0 H PHE A 91 -4.300 4.028 6.766 1.00 1.00 H new ATOM 0 HA PHE A 91 -2.150 4.773 4.984 1.00 1.00 H new ATOM 0 HB2 PHE A 91 -3.914 6.084 7.046 1.00 1.00 H new ATOM 0 HB3 PHE A 91 -2.396 6.872 6.665 1.00 1.00 H new ATOM 0 HD1 PHE A 91 -1.836 7.027 4.053 1.00 1.00 H new ATOM 0 HD2 PHE A 91 -5.776 6.526 5.684 1.00 1.00 H new ATOM 0 HE1 PHE A 91 -2.816 7.916 1.956 1.00 1.00 H new ATOM 0 HE2 PHE A 91 -6.759 7.414 3.590 1.00 1.00 H new ATOM 0 HZ PHE A 91 -5.280 8.111 1.724 1.00 1.00 H new ATOM 1437 N ALA A 92 -0.284 5.431 6.774 1.00 1.00 N ATOM 1438 CA ALA A 92 0.905 5.334 7.613 1.00 1.00 C ATOM 1439 C ALA A 92 0.524 5.370 9.088 1.00 1.00 C ATOM 1440 O ALA A 92 -0.043 6.352 9.569 1.00 1.00 O ATOM 1441 CB ALA A 92 1.859 6.490 7.301 1.00 1.00 C ATOM 0 H ALA A 92 -0.245 6.160 6.061 1.00 1.00 H new ATOM 0 HA ALA A 92 1.401 4.387 7.401 1.00 1.00 H new ATOM 0 HB1 ALA A 92 2.745 6.411 7.931 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.154 6.445 6.253 1.00 1.00 H new ATOM 0 HB3 ALA A 92 1.358 7.438 7.496 1.00 1.00 H new