USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 742 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 13 MET CE :methyl -162:sc= -0.103 (180deg=-0.572) USER MOD Single : A 22 ASN : amide:sc= -2.06! K(o=-2.1!,f=-0.46) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.58) USER MOD Single : A 34 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.1!) USER MOD Single : A 35 MET CE :methyl -176:sc= -0.0986 (180deg=-0.142) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc=-0.00995 X(o=-0.01,f=-0.26) USER MOD Single : A 46 GLN : amide:sc= -0.0106 K(o=-0.011,f=-1.2) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0676 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 150:sc= 0.938 (180deg=0.205) USER MOD Single : A 64 LYS NZ :NH3+ -133:sc= -0.0336 (180deg=-0.246) USER MOD Single : A 66 HIS : no HD1:sc= -0.648 K(o=-0.65,f=-0.12) USER MOD Single : A 69 THR OG1 : rot -44:sc= -1.23! USER MOD Single : A 71 MET CE :methyl -128:sc= -5.96! (180deg=-15.2!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -5.92! C(o=-5.9!,f=-14!) USER MOD Single : A 77 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.501) USER MOD Single : A 79 GLN : amide:sc= -0.0496 K(o=-0.05,f=-1.6!) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.305 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.239 X(o=-0.24,f=0) USER MOD Single : A 90 SER OG : rot -100:sc= -0.438 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -6.17! C(o=-6.2!,f=-16!) USER MOD Single : A 96 MET CE :methyl -121:sc= -4.51! (180deg=-7.34!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 137 N MET A 13 -14.575 14.111 4.214 1.00 0.00 N ATOM 138 CA MET A 13 -15.137 14.079 2.869 1.00 0.00 C ATOM 139 C MET A 13 -15.141 12.657 2.315 1.00 0.00 C ATOM 140 O MET A 13 -14.204 11.884 2.517 1.00 0.00 O ATOM 141 CB MET A 13 -14.343 14.999 1.939 1.00 0.00 C ATOM 142 CG MET A 13 -14.261 14.492 0.508 1.00 0.00 C ATOM 143 SD MET A 13 -13.379 15.627 -0.581 1.00 0.00 S ATOM 144 CE MET A 13 -14.493 17.030 -0.581 1.00 0.00 C ATOM 0 HA MET A 13 -16.167 14.432 2.924 1.00 0.00 H new ATOM 0 HB2 MET A 13 -14.803 15.987 1.940 1.00 0.00 H new ATOM 0 HB3 MET A 13 -13.333 15.117 2.333 1.00 0.00 H new ATOM 0 HG2 MET A 13 -13.762 13.523 0.498 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.269 14.335 0.124 1.00 0.00 H new ATOM 0 HE1 MET A 13 -14.269 17.673 -1.432 1.00 0.00 H new ATOM 0 HE2 MET A 13 -15.522 16.678 -0.653 1.00 0.00 H new ATOM 0 HE3 MET A 13 -14.367 17.595 0.343 1.00 0.00 H new ATOM 154 N PRO A 14 -16.219 12.303 1.600 1.00 0.00 N ATOM 155 CA PRO A 14 -16.370 10.973 1.003 1.00 0.00 C ATOM 156 C PRO A 14 -15.405 10.745 -0.156 1.00 0.00 C ATOM 157 O PRO A 14 -14.524 11.564 -0.411 1.00 0.00 O ATOM 158 CB PRO A 14 -17.817 10.971 0.503 1.00 0.00 C ATOM 159 CG PRO A 14 -18.142 12.407 0.279 1.00 0.00 C ATOM 160 CD PRO A 14 -17.373 13.173 1.320 1.00 0.00 C ATOM 0 HA PRO A 14 -16.150 10.178 1.716 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -17.917 10.394 -0.416 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -18.488 10.523 1.235 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -17.857 12.720 -0.725 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -19.213 12.584 0.376 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.060 14.150 0.951 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -17.971 13.347 2.214 1.00 0.00 H new ATOM 168 N GLU A 15 -15.580 9.627 -0.854 1.00 0.00 N ATOM 169 CA GLU A 15 -14.723 9.292 -1.986 1.00 0.00 C ATOM 170 C GLU A 15 -15.241 9.936 -3.269 1.00 0.00 C ATOM 171 O GLU A 15 -14.511 10.651 -3.955 1.00 0.00 O ATOM 172 CB GLU A 15 -14.642 7.775 -2.161 1.00 0.00 C ATOM 173 CG GLU A 15 -13.405 7.315 -2.915 1.00 0.00 C ATOM 174 CD GLU A 15 -13.474 5.853 -3.311 1.00 0.00 C ATOM 175 OE1 GLU A 15 -13.938 5.036 -2.489 1.00 0.00 O ATOM 176 OE2 GLU A 15 -13.064 5.526 -4.445 1.00 0.00 O ATOM 0 H GLU A 15 -16.306 8.939 -0.656 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.725 9.681 -1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.655 7.303 -1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -15.530 7.431 -2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.282 7.925 -3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.524 7.478 -2.294 1.00 0.00 H new ATOM 183 N GLU A 16 -16.506 9.677 -3.586 1.00 0.00 N ATOM 184 CA GLU A 16 -17.121 10.230 -4.787 1.00 0.00 C ATOM 185 C GLU A 16 -16.594 11.634 -5.071 1.00 0.00 C ATOM 186 O GLU A 16 -15.902 11.859 -6.063 1.00 0.00 O ATOM 187 CB GLU A 16 -18.643 10.266 -4.637 1.00 0.00 C ATOM 188 CG GLU A 16 -19.323 8.961 -5.015 1.00 0.00 C ATOM 189 CD GLU A 16 -20.813 8.975 -4.733 1.00 0.00 C ATOM 190 OE1 GLU A 16 -21.191 9.053 -3.546 1.00 0.00 O ATOM 191 OE2 GLU A 16 -21.600 8.909 -5.700 1.00 0.00 O ATOM 0 H GLU A 16 -17.124 9.088 -3.028 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.861 9.586 -5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -18.892 10.510 -3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.042 11.067 -5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.160 8.764 -6.075 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.861 8.142 -4.464 1.00 0.00 H new ATOM 198 N GLU A 17 -16.927 12.574 -4.192 1.00 0.00 N ATOM 199 CA GLU A 17 -16.488 13.956 -4.349 1.00 0.00 C ATOM 200 C GLU A 17 -14.965 14.039 -4.411 1.00 0.00 C ATOM 201 O GLU A 17 -14.398 14.508 -5.399 1.00 0.00 O ATOM 202 CB GLU A 17 -17.010 14.814 -3.195 1.00 0.00 C ATOM 203 CG GLU A 17 -18.526 14.875 -3.119 1.00 0.00 C ATOM 204 CD GLU A 17 -19.020 15.589 -1.875 1.00 0.00 C ATOM 205 OE1 GLU A 17 -18.411 16.611 -1.496 1.00 0.00 O ATOM 206 OE2 GLU A 17 -20.015 15.124 -1.281 1.00 0.00 O ATOM 0 H GLU A 17 -17.499 12.404 -3.365 1.00 0.00 H new ATOM 0 HA GLU A 17 -16.894 14.335 -5.287 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.623 14.419 -2.256 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.619 15.826 -3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -18.910 15.385 -4.003 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.928 13.862 -3.136 1.00 0.00 H new ATOM 213 N PHE A 18 -14.310 13.582 -3.350 1.00 0.00 N ATOM 214 CA PHE A 18 -12.853 13.606 -3.282 1.00 0.00 C ATOM 215 C PHE A 18 -12.240 13.321 -4.651 1.00 0.00 C ATOM 216 O PHE A 18 -11.490 14.135 -5.190 1.00 0.00 O ATOM 217 CB PHE A 18 -12.351 12.582 -2.263 1.00 0.00 C ATOM 218 CG PHE A 18 -10.886 12.706 -1.959 1.00 0.00 C ATOM 219 CD1 PHE A 18 -10.373 13.876 -1.422 1.00 0.00 C ATOM 220 CD2 PHE A 18 -10.021 11.653 -2.211 1.00 0.00 C ATOM 221 CE1 PHE A 18 -9.024 13.993 -1.143 1.00 0.00 C ATOM 222 CE2 PHE A 18 -8.671 11.764 -1.934 1.00 0.00 C ATOM 223 CZ PHE A 18 -8.173 12.935 -1.398 1.00 0.00 C ATOM 0 H PHE A 18 -14.764 13.190 -2.525 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.546 14.603 -2.966 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -12.916 12.695 -1.338 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -12.552 11.579 -2.639 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.034 14.705 -1.219 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -10.406 10.735 -2.629 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.636 14.911 -0.726 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.007 10.936 -2.136 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.119 13.024 -1.178 1.00 0.00 H new ATOM 233 N LEU A 19 -12.565 12.159 -5.206 1.00 0.00 N ATOM 234 CA LEU A 19 -12.047 11.764 -6.512 1.00 0.00 C ATOM 235 C LEU A 19 -12.183 12.902 -7.518 1.00 0.00 C ATOM 236 O LEU A 19 -11.302 13.115 -8.352 1.00 0.00 O ATOM 237 CB LEU A 19 -12.786 10.526 -7.022 1.00 0.00 C ATOM 238 CG LEU A 19 -12.631 9.258 -6.182 1.00 0.00 C ATOM 239 CD1 LEU A 19 -13.398 8.104 -6.810 1.00 0.00 C ATOM 240 CD2 LEU A 19 -11.160 8.900 -6.024 1.00 0.00 C ATOM 0 H LEU A 19 -13.184 11.474 -4.773 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.989 11.527 -6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.847 10.764 -7.092 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.440 10.312 -8.033 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.047 9.447 -5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.276 7.210 -6.198 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.456 8.360 -6.871 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.013 7.913 -7.812 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.068 7.995 -5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.719 8.730 -7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.637 9.719 -5.529 1.00 0.00 H new ATOM 252 N ARG A 20 -13.290 13.632 -7.433 1.00 0.00 N ATOM 253 CA ARG A 20 -13.541 14.749 -8.336 1.00 0.00 C ATOM 254 C ARG A 20 -12.581 15.901 -8.054 1.00 0.00 C ATOM 255 O ARG A 20 -12.259 16.686 -8.946 1.00 0.00 O ATOM 256 CB ARG A 20 -14.986 15.230 -8.198 1.00 0.00 C ATOM 257 CG ARG A 20 -16.017 14.166 -8.538 1.00 0.00 C ATOM 258 CD ARG A 20 -17.427 14.631 -8.209 1.00 0.00 C ATOM 259 NE ARG A 20 -17.930 15.591 -9.188 1.00 0.00 N ATOM 260 CZ ARG A 20 -18.422 15.244 -10.372 1.00 0.00 C ATOM 261 NH1 ARG A 20 -18.477 13.967 -10.722 1.00 0.00 N ATOM 262 NH2 ARG A 20 -18.860 16.176 -11.209 1.00 0.00 N ATOM 0 H ARG A 20 -14.028 13.470 -6.748 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.377 14.403 -9.356 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -15.151 15.570 -7.176 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -15.137 16.091 -8.849 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.952 13.920 -9.598 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.795 13.253 -7.985 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -18.093 13.769 -8.171 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -17.437 15.085 -7.218 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.902 16.582 -8.949 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -18.141 13.248 -10.082 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.855 13.703 -11.632 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.819 17.160 -10.943 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.238 15.908 -12.118 1.00 0.00 H new ATOM 276 N ARG A 21 -12.128 15.996 -6.808 1.00 0.00 N ATOM 277 CA ARG A 21 -11.206 17.053 -6.409 1.00 0.00 C ATOM 278 C ARG A 21 -9.758 16.621 -6.621 1.00 0.00 C ATOM 279 O ARG A 21 -9.031 17.221 -7.410 1.00 0.00 O ATOM 280 CB ARG A 21 -11.429 17.425 -4.942 1.00 0.00 C ATOM 281 CG ARG A 21 -12.451 18.532 -4.742 1.00 0.00 C ATOM 282 CD ARG A 21 -12.476 19.014 -3.300 1.00 0.00 C ATOM 283 NE ARG A 21 -11.467 20.039 -3.048 1.00 0.00 N ATOM 284 CZ ARG A 21 -11.610 21.313 -3.397 1.00 0.00 C ATOM 285 NH1 ARG A 21 -12.715 21.716 -4.009 1.00 0.00 N ATOM 286 NH2 ARG A 21 -10.647 22.187 -3.133 1.00 0.00 N ATOM 0 H ARG A 21 -12.384 15.354 -6.058 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.401 17.926 -7.032 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.755 16.539 -4.397 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.479 17.736 -4.507 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.218 19.368 -5.402 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.440 18.170 -5.023 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.464 19.413 -3.068 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.309 18.169 -2.632 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.605 19.762 -2.578 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.458 21.047 -4.213 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.822 22.695 -4.276 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.796 21.881 -2.662 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.758 23.165 -3.401 1.00 0.00 H new ATOM 300 N ASN A 22 -9.348 15.575 -5.910 1.00 0.00 N ATOM 301 CA ASN A 22 -7.987 15.064 -6.020 1.00 0.00 C ATOM 302 C ASN A 22 -7.899 13.975 -7.085 1.00 0.00 C ATOM 303 O ASN A 22 -8.248 12.820 -6.839 1.00 0.00 O ATOM 304 CB ASN A 22 -7.516 14.513 -4.672 1.00 0.00 C ATOM 305 CG ASN A 22 -7.433 15.588 -3.606 1.00 0.00 C ATOM 306 OD1 ASN A 22 -6.372 15.824 -3.028 1.00 0.00 O ATOM 307 ND2 ASN A 22 -8.556 16.246 -3.340 1.00 0.00 N ATOM 0 H ASN A 22 -9.938 15.066 -5.252 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.339 15.889 -6.315 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.200 13.731 -4.343 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.537 14.050 -4.794 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.561 16.980 -2.632 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.413 16.017 -3.844 1.00 0.00 H new ATOM 314 N LYS A 23 -7.430 14.351 -8.270 1.00 0.00 N ATOM 315 CA LYS A 23 -7.294 13.408 -9.374 1.00 0.00 C ATOM 316 C LYS A 23 -5.964 12.665 -9.294 1.00 0.00 C ATOM 317 O LYS A 23 -5.813 11.580 -9.855 1.00 0.00 O ATOM 318 CB LYS A 23 -7.402 14.140 -10.714 1.00 0.00 C ATOM 319 CG LYS A 23 -7.766 13.232 -11.875 1.00 0.00 C ATOM 320 CD LYS A 23 -8.154 14.031 -13.108 1.00 0.00 C ATOM 321 CE LYS A 23 -8.308 13.136 -14.327 1.00 0.00 C ATOM 322 NZ LYS A 23 -8.563 13.924 -15.565 1.00 0.00 N ATOM 0 H LYS A 23 -7.137 15.303 -8.491 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.102 12.680 -9.299 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.152 14.926 -10.630 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.452 14.628 -10.930 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.921 12.585 -12.111 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.593 12.584 -11.585 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.090 14.558 -12.922 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.396 14.789 -13.305 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.405 12.539 -14.456 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.130 12.439 -14.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.662 13.278 -16.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.438 14.474 -15.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.767 14.571 -15.735 1.00 0.00 H new ATOM 336 N GLY A 24 -5.002 13.256 -8.591 1.00 0.00 N ATOM 337 CA GLY A 24 -3.698 12.635 -8.450 1.00 0.00 C ATOM 338 C GLY A 24 -2.926 12.604 -9.754 1.00 0.00 C ATOM 339 O GLY A 24 -3.194 13.374 -10.677 1.00 0.00 O ATOM 0 H GLY A 24 -5.103 14.153 -8.117 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.120 13.177 -7.702 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.822 11.617 -8.081 1.00 0.00 H new ATOM 343 N PRO A 25 -1.942 11.697 -9.842 1.00 0.00 N ATOM 344 CA PRO A 25 -1.614 10.776 -8.750 1.00 0.00 C ATOM 345 C PRO A 25 -0.983 11.490 -7.559 1.00 0.00 C ATOM 346 O PRO A 25 -0.332 12.523 -7.715 1.00 0.00 O ATOM 347 CB PRO A 25 -0.611 9.812 -9.388 1.00 0.00 C ATOM 348 CG PRO A 25 0.006 10.588 -10.500 1.00 0.00 C ATOM 349 CD PRO A 25 -1.072 11.502 -11.014 1.00 0.00 C ATOM 0 HA PRO A 25 -2.502 10.286 -8.350 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.140 9.488 -8.667 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.106 8.914 -9.759 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.866 11.158 -10.148 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.364 9.925 -11.287 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.661 12.446 -11.371 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.614 11.055 -11.847 1.00 0.00 H new ATOM 357 N VAL A 26 -1.180 10.933 -6.369 1.00 0.00 N ATOM 358 CA VAL A 26 -0.628 11.515 -5.151 1.00 0.00 C ATOM 359 C VAL A 26 0.600 10.745 -4.681 1.00 0.00 C ATOM 360 O VAL A 26 0.592 9.515 -4.628 1.00 0.00 O ATOM 361 CB VAL A 26 -1.671 11.538 -4.018 1.00 0.00 C ATOM 362 CG1 VAL A 26 -2.855 12.414 -4.399 1.00 0.00 C ATOM 363 CG2 VAL A 26 -2.128 10.126 -3.686 1.00 0.00 C ATOM 0 H VAL A 26 -1.718 10.079 -6.222 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.341 12.539 -5.391 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.206 11.964 -3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.581 12.418 -3.586 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.510 13.432 -4.583 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.323 12.021 -5.302 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.865 10.161 -2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.576 9.671 -4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.272 9.532 -3.367 1.00 0.00 H new ATOM 373 N SER A 27 1.656 11.477 -4.339 1.00 0.00 N ATOM 374 CA SER A 27 2.894 10.863 -3.875 1.00 0.00 C ATOM 375 C SER A 27 2.893 10.717 -2.357 1.00 0.00 C ATOM 376 O SER A 27 2.453 11.614 -1.637 1.00 0.00 O ATOM 377 CB SER A 27 4.099 11.697 -4.318 1.00 0.00 C ATOM 378 OG SER A 27 5.304 11.173 -3.787 1.00 0.00 O ATOM 0 H SER A 27 1.678 12.496 -4.375 1.00 0.00 H new ATOM 0 HA SER A 27 2.966 9.870 -4.318 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.154 11.713 -5.406 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.972 12.729 -3.990 1.00 0.00 H new ATOM 0 HG SER A 27 6.059 11.722 -4.086 1.00 0.00 H new ATOM 384 N ILE A 28 3.389 9.581 -1.877 1.00 0.00 N ATOM 385 CA ILE A 28 3.447 9.318 -0.445 1.00 0.00 C ATOM 386 C ILE A 28 4.863 8.957 -0.009 1.00 0.00 C ATOM 387 O ILE A 28 5.712 8.622 -0.834 1.00 0.00 O ATOM 388 CB ILE A 28 2.492 8.178 -0.044 1.00 0.00 C ATOM 389 CG1 ILE A 28 2.848 6.896 -0.799 1.00 0.00 C ATOM 390 CG2 ILE A 28 1.049 8.576 -0.315 1.00 0.00 C ATOM 391 CD1 ILE A 28 2.356 5.637 -0.118 1.00 0.00 C ATOM 0 H ILE A 28 3.756 8.828 -2.459 1.00 0.00 H new ATOM 0 HA ILE A 28 3.138 10.235 0.057 1.00 0.00 H new ATOM 0 HB ILE A 28 2.602 7.990 1.024 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.425 6.946 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.931 6.839 -0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.386 7.760 -0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.802 9.466 0.264 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.923 8.787 -1.377 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.644 4.767 -0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.799 5.564 0.875 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.270 5.672 -0.029 1.00 0.00 H new ATOM 403 N LYS A 29 5.110 9.026 1.295 1.00 0.00 N ATOM 404 CA LYS A 29 6.422 8.704 1.843 1.00 0.00 C ATOM 405 C LYS A 29 6.306 7.669 2.958 1.00 0.00 C ATOM 406 O LYS A 29 5.689 7.922 3.992 1.00 0.00 O ATOM 407 CB LYS A 29 7.099 9.969 2.376 1.00 0.00 C ATOM 408 CG LYS A 29 8.614 9.939 2.269 1.00 0.00 C ATOM 409 CD LYS A 29 9.267 10.751 3.374 1.00 0.00 C ATOM 410 CE LYS A 29 10.782 10.760 3.238 1.00 0.00 C ATOM 411 NZ LYS A 29 11.243 11.770 2.245 1.00 0.00 N ATOM 0 H LYS A 29 4.418 9.302 1.992 1.00 0.00 H new ATOM 0 HA LYS A 29 7.030 8.284 1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.721 10.832 1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.820 10.108 3.420 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.963 8.908 2.319 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.919 10.332 1.299 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.892 11.774 3.345 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.990 10.337 4.344 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.233 10.972 4.208 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.126 9.771 2.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.281 11.745 2.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.833 11.553 1.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.937 12.717 2.546 1.00 0.00 H new ATOM 425 N VAL A 30 6.905 6.502 2.740 1.00 0.00 N ATOM 426 CA VAL A 30 6.872 5.429 3.727 1.00 0.00 C ATOM 427 C VAL A 30 8.071 5.509 4.666 1.00 0.00 C ATOM 428 O VAL A 30 9.200 5.218 4.272 1.00 0.00 O ATOM 429 CB VAL A 30 6.854 4.045 3.051 1.00 0.00 C ATOM 430 CG1 VAL A 30 6.873 2.941 4.096 1.00 0.00 C ATOM 431 CG2 VAL A 30 5.640 3.911 2.144 1.00 0.00 C ATOM 0 H VAL A 30 7.419 6.276 1.888 1.00 0.00 H new ATOM 0 HA VAL A 30 5.955 5.556 4.302 1.00 0.00 H new ATOM 0 HB VAL A 30 7.750 3.948 2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.860 1.970 3.600 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.776 3.028 4.700 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.997 3.032 4.738 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.643 2.927 1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.731 4.029 2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.675 4.681 1.373 1.00 0.00 H new ATOM 441 N GLN A 31 7.816 5.905 5.909 1.00 0.00 N ATOM 442 CA GLN A 31 8.875 6.023 6.904 1.00 0.00 C ATOM 443 C GLN A 31 9.301 4.649 7.411 1.00 0.00 C ATOM 444 O GLN A 31 8.624 4.046 8.244 1.00 0.00 O ATOM 445 CB GLN A 31 8.409 6.890 8.075 1.00 0.00 C ATOM 446 CG GLN A 31 9.550 7.457 8.904 1.00 0.00 C ATOM 447 CD GLN A 31 10.537 8.251 8.073 1.00 0.00 C ATOM 448 OE1 GLN A 31 10.151 8.981 7.158 1.00 0.00 O ATOM 449 NE2 GLN A 31 11.821 8.115 8.386 1.00 0.00 N ATOM 0 H GLN A 31 6.886 6.149 6.251 1.00 0.00 H new ATOM 0 HA GLN A 31 9.734 6.497 6.429 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.807 7.713 7.690 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.762 6.296 8.721 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.142 8.097 9.686 1.00 0.00 H new ATOM 0 HG3 GLN A 31 10.074 6.640 9.401 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.097 7.500 9.151 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.531 8.626 7.861 1.00 0.00 H new ATOM 458 N VAL A 32 10.428 4.159 6.904 1.00 0.00 N ATOM 459 CA VAL A 32 10.945 2.857 7.305 1.00 0.00 C ATOM 460 C VAL A 32 11.764 2.962 8.587 1.00 0.00 C ATOM 461 O VAL A 32 12.859 3.525 8.609 1.00 0.00 O ATOM 462 CB VAL A 32 11.819 2.235 6.200 1.00 0.00 C ATOM 463 CG1 VAL A 32 12.252 0.829 6.589 1.00 0.00 C ATOM 464 CG2 VAL A 32 11.073 2.224 4.874 1.00 0.00 C ATOM 0 H VAL A 32 11.001 4.645 6.214 1.00 0.00 H new ATOM 0 HA VAL A 32 10.082 2.214 7.480 1.00 0.00 H new ATOM 0 HB VAL A 32 12.714 2.846 6.082 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.869 0.406 5.796 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.827 0.868 7.514 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.371 0.204 6.736 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.705 1.781 4.104 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.160 1.638 4.975 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.819 3.245 4.591 1.00 0.00 H new ATOM 474 N PRO A 33 11.223 2.407 9.682 1.00 0.00 N ATOM 475 CA PRO A 33 11.888 2.424 10.988 1.00 0.00 C ATOM 476 C PRO A 33 13.121 1.528 11.024 1.00 0.00 C ATOM 477 O PRO A 33 13.274 0.634 10.193 1.00 0.00 O ATOM 478 CB PRO A 33 10.813 1.893 11.940 1.00 0.00 C ATOM 479 CG PRO A 33 9.924 1.061 11.081 1.00 0.00 C ATOM 480 CD PRO A 33 9.922 1.719 9.728 1.00 0.00 C ATOM 0 HA PRO A 33 12.253 3.418 11.246 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.253 1.302 12.744 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.261 2.708 12.408 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.291 0.037 11.016 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.916 1.013 11.493 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.825 0.988 8.926 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.093 2.419 9.623 1.00 0.00 H new ATOM 488 N ASN A 34 13.998 1.775 11.992 1.00 0.00 N ATOM 489 CA ASN A 34 15.219 0.989 12.135 1.00 0.00 C ATOM 490 C ASN A 34 14.963 -0.267 12.961 1.00 0.00 C ATOM 491 O ASN A 34 14.966 -0.225 14.191 1.00 0.00 O ATOM 492 CB ASN A 34 16.316 1.830 12.790 1.00 0.00 C ATOM 493 CG ASN A 34 17.279 0.988 13.605 1.00 0.00 C ATOM 494 OD1 ASN A 34 17.663 -0.108 13.196 1.00 0.00 O ATOM 495 ND2 ASN A 34 17.675 1.499 14.766 1.00 0.00 N ATOM 0 H ASN A 34 13.886 2.512 12.688 1.00 0.00 H new ATOM 0 HA ASN A 34 15.547 0.687 11.140 1.00 0.00 H new ATOM 0 HB2 ASN A 34 16.869 2.366 12.019 1.00 0.00 H new ATOM 0 HB3 ASN A 34 15.859 2.581 13.434 1.00 0.00 H new ATOM 0 HD21 ASN A 34 18.323 0.979 15.358 1.00 0.00 H new ATOM 0 HD22 ASN A 34 17.331 2.411 15.065 1.00 0.00 H new ATOM 502 N MET A 35 14.743 -1.385 12.276 1.00 0.00 N ATOM 503 CA MET A 35 14.488 -2.654 12.947 1.00 0.00 C ATOM 504 C MET A 35 15.733 -3.142 13.680 1.00 0.00 C ATOM 505 O MET A 35 16.600 -3.785 13.088 1.00 0.00 O ATOM 506 CB MET A 35 14.032 -3.708 11.935 1.00 0.00 C ATOM 507 CG MET A 35 13.617 -5.024 12.573 1.00 0.00 C ATOM 508 SD MET A 35 12.484 -4.798 13.957 1.00 0.00 S ATOM 509 CE MET A 35 11.016 -4.228 13.103 1.00 0.00 C ATOM 0 H MET A 35 14.736 -1.437 11.257 1.00 0.00 H new ATOM 0 HA MET A 35 13.696 -2.496 13.679 1.00 0.00 H new ATOM 0 HB2 MET A 35 13.194 -3.311 11.362 1.00 0.00 H new ATOM 0 HB3 MET A 35 14.841 -3.895 11.229 1.00 0.00 H new ATOM 0 HG2 MET A 35 13.144 -5.655 11.820 1.00 0.00 H new ATOM 0 HG3 MET A 35 14.506 -5.552 12.919 1.00 0.00 H new ATOM 0 HE1 MET A 35 10.246 -3.976 13.832 1.00 0.00 H new ATOM 0 HE2 MET A 35 11.259 -3.345 12.512 1.00 0.00 H new ATOM 0 HE3 MET A 35 10.649 -5.016 12.445 1.00 0.00 H new ATOM 584 N GLU A 40 13.939 -10.453 9.253 1.00 0.00 N ATOM 585 CA GLU A 40 14.074 -10.661 7.816 1.00 0.00 C ATOM 586 C GLU A 40 13.380 -9.547 7.038 1.00 0.00 C ATOM 587 O GLU A 40 12.873 -9.768 5.938 1.00 0.00 O ATOM 588 CB GLU A 40 13.491 -12.018 7.417 1.00 0.00 C ATOM 589 CG GLU A 40 11.976 -12.080 7.510 1.00 0.00 C ATOM 590 CD GLU A 40 11.493 -12.526 8.877 1.00 0.00 C ATOM 591 OE1 GLU A 40 12.298 -13.117 9.627 1.00 0.00 O ATOM 592 OE2 GLU A 40 10.310 -12.283 9.196 1.00 0.00 O ATOM 0 HA GLU A 40 15.136 -10.645 7.570 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.794 -12.248 6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 40 13.918 -12.790 8.057 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.561 -11.097 7.285 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.597 -12.767 6.753 1.00 0.00 H new ATOM 599 N TRP A 41 13.360 -8.352 7.617 1.00 0.00 N ATOM 600 CA TRP A 41 12.727 -7.204 6.978 1.00 0.00 C ATOM 601 C TRP A 41 13.754 -6.121 6.665 1.00 0.00 C ATOM 602 O TRP A 41 14.507 -5.693 7.541 1.00 0.00 O ATOM 603 CB TRP A 41 11.627 -6.637 7.876 1.00 0.00 C ATOM 604 CG TRP A 41 10.546 -7.628 8.189 1.00 0.00 C ATOM 605 CD1 TRP A 41 10.318 -8.818 7.559 1.00 0.00 C ATOM 606 CD2 TRP A 41 9.547 -7.513 9.208 1.00 0.00 C ATOM 607 NE1 TRP A 41 9.237 -9.449 8.124 1.00 0.00 N ATOM 608 CE2 TRP A 41 8.747 -8.670 9.138 1.00 0.00 C ATOM 609 CE3 TRP A 41 9.252 -6.546 10.173 1.00 0.00 C ATOM 610 CZ2 TRP A 41 7.671 -8.883 9.997 1.00 0.00 C ATOM 611 CZ3 TRP A 41 8.184 -6.759 11.024 1.00 0.00 C ATOM 612 CH2 TRP A 41 7.405 -7.920 10.932 1.00 0.00 C ATOM 0 H TRP A 41 13.775 -8.153 8.527 1.00 0.00 H new ATOM 0 HA TRP A 41 12.284 -7.540 6.041 1.00 0.00 H new ATOM 0 HB2 TRP A 41 12.072 -6.289 8.808 1.00 0.00 H new ATOM 0 HB3 TRP A 41 11.184 -5.768 7.391 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.902 -9.206 6.737 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.860 -10.352 7.835 1.00 0.00 H new ATOM 0 HE3 TRP A 41 9.848 -5.649 10.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.068 -9.776 9.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 7.946 -6.018 11.773 1.00 0.00 H new ATOM 0 HH2 TRP A 41 6.578 -8.058 11.613 1.00 0.00 H new ATOM 623 N LYS A 42 13.779 -5.679 5.412 1.00 0.00 N ATOM 624 CA LYS A 42 14.712 -4.644 4.984 1.00 0.00 C ATOM 625 C LYS A 42 14.354 -3.298 5.605 1.00 0.00 C ATOM 626 O LYS A 42 13.882 -2.391 4.918 1.00 0.00 O ATOM 627 CB LYS A 42 14.713 -4.529 3.458 1.00 0.00 C ATOM 628 CG LYS A 42 15.472 -5.647 2.764 1.00 0.00 C ATOM 629 CD LYS A 42 16.032 -5.194 1.426 1.00 0.00 C ATOM 630 CE LYS A 42 16.500 -6.374 0.589 1.00 0.00 C ATOM 631 NZ LYS A 42 16.658 -6.009 -0.846 1.00 0.00 N ATOM 0 H LYS A 42 13.163 -6.022 4.675 1.00 0.00 H new ATOM 0 HA LYS A 42 15.709 -4.927 5.322 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.683 -4.525 3.102 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.152 -3.573 3.174 1.00 0.00 H new ATOM 0 HG2 LYS A 42 16.286 -5.987 3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 42 14.809 -6.499 2.612 1.00 0.00 H new ATOM 0 HD2 LYS A 42 15.269 -4.639 0.880 1.00 0.00 H new ATOM 0 HD3 LYS A 42 16.865 -4.511 1.592 1.00 0.00 H new ATOM 0 HE2 LYS A 42 17.450 -6.740 0.977 1.00 0.00 H new ATOM 0 HE3 LYS A 42 15.783 -7.190 0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 16.978 -6.840 -1.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.745 -5.684 -1.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 17.361 -5.248 -0.935 1.00 0.00 H new ATOM 645 N LEU A 43 14.583 -3.174 6.908 1.00 0.00 N ATOM 646 CA LEU A 43 14.286 -1.937 7.622 1.00 0.00 C ATOM 647 C LEU A 43 15.543 -1.368 8.272 1.00 0.00 C ATOM 648 O LEU A 43 15.985 -1.847 9.316 1.00 0.00 O ATOM 649 CB LEU A 43 13.215 -2.184 8.686 1.00 0.00 C ATOM 650 CG LEU A 43 11.964 -2.928 8.219 1.00 0.00 C ATOM 651 CD1 LEU A 43 11.175 -3.447 9.411 1.00 0.00 C ATOM 652 CD2 LEU A 43 11.096 -2.024 7.356 1.00 0.00 C ATOM 0 H LEU A 43 14.973 -3.914 7.491 1.00 0.00 H new ATOM 0 HA LEU A 43 13.912 -1.211 6.900 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.666 -2.749 9.502 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.909 -1.221 9.095 1.00 0.00 H new ATOM 0 HG LEU A 43 12.276 -3.781 7.617 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.288 -3.974 9.059 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.797 -4.130 9.989 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.874 -2.610 10.040 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.210 -2.571 7.033 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.793 -1.151 7.934 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.662 -1.702 6.482 1.00 0.00 H new ATOM 664 N ASN A 44 16.113 -0.342 7.649 1.00 0.00 N ATOM 665 CA ASN A 44 17.319 0.293 8.168 1.00 0.00 C ATOM 666 C ASN A 44 17.195 1.813 8.123 1.00 0.00 C ATOM 667 O ASN A 44 17.837 2.475 7.309 1.00 0.00 O ATOM 668 CB ASN A 44 18.542 -0.154 7.364 1.00 0.00 C ATOM 669 CG ASN A 44 19.819 -0.103 8.180 1.00 0.00 C ATOM 670 OD1 ASN A 44 19.877 -0.621 9.296 1.00 0.00 O ATOM 671 ND2 ASN A 44 20.851 0.522 7.626 1.00 0.00 N ATOM 0 H ASN A 44 15.759 0.067 6.784 1.00 0.00 H new ATOM 0 HA ASN A 44 17.443 -0.014 9.207 1.00 0.00 H new ATOM 0 HB2 ASN A 44 18.385 -1.170 7.003 1.00 0.00 H new ATOM 0 HB3 ASN A 44 18.649 0.483 6.486 1.00 0.00 H new ATOM 0 HD21 ASN A 44 21.737 0.587 8.128 1.00 0.00 H new ATOM 0 HD22 ASN A 44 20.758 0.937 6.699 1.00 0.00 H new ATOM 678 N GLY A 45 16.364 2.360 9.006 1.00 0.00 N ATOM 679 CA GLY A 45 16.171 3.798 9.051 1.00 0.00 C ATOM 680 C GLY A 45 16.267 4.439 7.681 1.00 0.00 C ATOM 681 O GLY A 45 17.331 4.913 7.285 1.00 0.00 O ATOM 0 H GLY A 45 15.821 1.833 9.690 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.195 4.017 9.484 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.918 4.241 9.709 1.00 0.00 H new ATOM 685 N GLN A 46 15.153 4.452 6.956 1.00 0.00 N ATOM 686 CA GLN A 46 15.118 5.038 5.622 1.00 0.00 C ATOM 687 C GLN A 46 13.701 5.463 5.251 1.00 0.00 C ATOM 688 O GLN A 46 12.765 5.285 6.030 1.00 0.00 O ATOM 689 CB GLN A 46 15.650 4.041 4.590 1.00 0.00 C ATOM 690 CG GLN A 46 14.913 2.711 4.592 1.00 0.00 C ATOM 691 CD GLN A 46 15.597 1.664 3.736 1.00 0.00 C ATOM 692 OE1 GLN A 46 16.805 1.724 3.508 1.00 0.00 O ATOM 693 NE2 GLN A 46 14.825 0.695 3.257 1.00 0.00 N ATOM 0 H GLN A 46 14.264 4.064 7.270 1.00 0.00 H new ATOM 0 HA GLN A 46 15.755 5.923 5.625 1.00 0.00 H new ATOM 0 HB2 GLN A 46 15.578 4.485 3.597 1.00 0.00 H new ATOM 0 HB3 GLN A 46 16.708 3.861 4.783 1.00 0.00 H new ATOM 0 HG2 GLN A 46 14.836 2.344 5.616 1.00 0.00 H new ATOM 0 HG3 GLN A 46 13.896 2.863 4.230 1.00 0.00 H new ATOM 0 HE21 GLN A 46 13.828 0.684 3.471 1.00 0.00 H new ATOM 0 HE22 GLN A 46 15.229 -0.038 2.675 1.00 0.00 H new ATOM 702 N GLY A 47 13.551 6.028 4.057 1.00 0.00 N ATOM 703 CA GLY A 47 12.245 6.471 3.605 1.00 0.00 C ATOM 704 C GLY A 47 12.012 6.182 2.135 1.00 0.00 C ATOM 705 O GLY A 47 12.871 6.458 1.297 1.00 0.00 O ATOM 0 H GLY A 47 14.310 6.187 3.395 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.473 5.978 4.196 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.147 7.542 3.782 1.00 0.00 H new ATOM 709 N LEU A 48 10.848 5.625 1.820 1.00 0.00 N ATOM 710 CA LEU A 48 10.504 5.297 0.441 1.00 0.00 C ATOM 711 C LEU A 48 9.403 6.216 -0.079 1.00 0.00 C ATOM 712 O LEU A 48 8.651 6.803 0.699 1.00 0.00 O ATOM 713 CB LEU A 48 10.057 3.838 0.339 1.00 0.00 C ATOM 714 CG LEU A 48 11.028 2.798 0.899 1.00 0.00 C ATOM 715 CD1 LEU A 48 10.408 1.410 0.853 1.00 0.00 C ATOM 716 CD2 LEU A 48 12.340 2.823 0.128 1.00 0.00 C ATOM 0 H LEU A 48 10.126 5.391 2.501 1.00 0.00 H new ATOM 0 HA LEU A 48 11.393 5.442 -0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.105 3.734 0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.874 3.607 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 48 11.236 3.047 1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.113 0.683 1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.496 1.399 1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.170 1.152 -0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.019 2.076 0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.149 2.600 -0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.793 3.811 0.212 1.00 0.00 H new ATOM 728 N VAL A 49 9.313 6.335 -1.400 1.00 0.00 N ATOM 729 CA VAL A 49 8.302 7.179 -2.025 1.00 0.00 C ATOM 730 C VAL A 49 7.654 6.474 -3.211 1.00 0.00 C ATOM 731 O VAL A 49 8.333 5.831 -4.012 1.00 0.00 O ATOM 732 CB VAL A 49 8.903 8.515 -2.501 1.00 0.00 C ATOM 733 CG1 VAL A 49 7.844 9.360 -3.194 1.00 0.00 C ATOM 734 CG2 VAL A 49 9.517 9.270 -1.331 1.00 0.00 C ATOM 0 H VAL A 49 9.929 5.857 -2.058 1.00 0.00 H new ATOM 0 HA VAL A 49 7.544 7.379 -1.268 1.00 0.00 H new ATOM 0 HB VAL A 49 9.693 8.302 -3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.287 10.300 -3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.455 8.820 -4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.031 9.566 -2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.937 10.211 -1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.748 9.473 -0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.306 8.667 -0.883 1.00 0.00 H new ATOM 744 N PHE A 50 6.335 6.600 -3.319 1.00 0.00 N ATOM 745 CA PHE A 50 5.594 5.974 -4.407 1.00 0.00 C ATOM 746 C PHE A 50 4.411 6.841 -4.829 1.00 0.00 C ATOM 747 O PHE A 50 3.608 7.265 -3.996 1.00 0.00 O ATOM 748 CB PHE A 50 5.100 4.588 -3.987 1.00 0.00 C ATOM 749 CG PHE A 50 6.124 3.792 -3.229 1.00 0.00 C ATOM 750 CD1 PHE A 50 7.329 3.448 -3.820 1.00 0.00 C ATOM 751 CD2 PHE A 50 5.880 3.386 -1.927 1.00 0.00 C ATOM 752 CE1 PHE A 50 8.274 2.716 -3.125 1.00 0.00 C ATOM 753 CE2 PHE A 50 6.821 2.654 -1.227 1.00 0.00 C ATOM 754 CZ PHE A 50 8.019 2.317 -1.828 1.00 0.00 C ATOM 0 H PHE A 50 5.758 7.130 -2.666 1.00 0.00 H new ATOM 0 HA PHE A 50 6.268 5.869 -5.257 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.209 4.700 -3.370 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.804 4.031 -4.876 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.533 3.755 -4.835 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.944 3.644 -1.454 1.00 0.00 H new ATOM 0 HE1 PHE A 50 9.211 2.457 -3.596 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.620 2.346 -0.212 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.754 1.743 -1.284 1.00 0.00 H new ATOM 764 N THR A 51 4.310 7.103 -6.128 1.00 0.00 N ATOM 765 CA THR A 51 3.228 7.921 -6.662 1.00 0.00 C ATOM 766 C THR A 51 2.151 7.055 -7.305 1.00 0.00 C ATOM 767 O THR A 51 2.405 6.359 -8.290 1.00 0.00 O ATOM 768 CB THR A 51 3.748 8.932 -7.701 1.00 0.00 C ATOM 769 OG1 THR A 51 4.779 9.740 -7.125 1.00 0.00 O ATOM 770 CG2 THR A 51 2.619 9.821 -8.202 1.00 0.00 C ATOM 0 H THR A 51 4.965 6.760 -6.831 1.00 0.00 H new ATOM 0 HA THR A 51 2.798 8.465 -5.821 1.00 0.00 H new ATOM 0 HB THR A 51 4.154 8.376 -8.546 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.105 10.379 -7.793 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.010 10.527 -8.935 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.849 9.205 -8.667 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.188 10.369 -7.364 1.00 0.00 H new ATOM 778 N LEU A 52 0.947 7.103 -6.745 1.00 0.00 N ATOM 779 CA LEU A 52 -0.170 6.323 -7.265 1.00 0.00 C ATOM 780 C LEU A 52 -1.481 7.090 -7.126 1.00 0.00 C ATOM 781 O LEU A 52 -1.687 7.850 -6.180 1.00 0.00 O ATOM 782 CB LEU A 52 -0.269 4.984 -6.531 1.00 0.00 C ATOM 783 CG LEU A 52 1.039 4.210 -6.367 1.00 0.00 C ATOM 784 CD1 LEU A 52 0.826 2.978 -5.501 1.00 0.00 C ATOM 785 CD2 LEU A 52 1.601 3.818 -7.726 1.00 0.00 C ATOM 0 H LEU A 52 0.720 7.674 -5.931 1.00 0.00 H new ATOM 0 HA LEU A 52 0.011 6.137 -8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.687 5.165 -5.541 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.978 4.351 -7.065 1.00 0.00 H new ATOM 0 HG LEU A 52 1.762 4.857 -5.870 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.768 2.440 -5.396 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.470 3.282 -4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.087 2.328 -5.969 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.532 3.268 -7.590 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.881 3.189 -8.250 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.793 4.716 -8.313 1.00 0.00 H new ATOM 797 N PRO A 53 -2.391 6.886 -8.090 1.00 0.00 N ATOM 798 CA PRO A 53 -3.699 7.548 -8.096 1.00 0.00 C ATOM 799 C PRO A 53 -4.614 7.035 -6.989 1.00 0.00 C ATOM 800 O PRO A 53 -4.296 6.057 -6.311 1.00 0.00 O ATOM 801 CB PRO A 53 -4.271 7.190 -9.470 1.00 0.00 C ATOM 802 CG PRO A 53 -3.592 5.917 -9.844 1.00 0.00 C ATOM 803 CD PRO A 53 -2.214 5.994 -9.248 1.00 0.00 C ATOM 0 HA PRO A 53 -3.614 8.620 -7.920 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.353 7.064 -9.428 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.070 7.975 -10.199 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.137 5.056 -9.458 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.543 5.804 -10.927 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.852 5.011 -8.946 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.491 6.396 -9.958 1.00 0.00 H new ATOM 811 N LEU A 54 -5.749 7.700 -6.810 1.00 0.00 N ATOM 812 CA LEU A 54 -6.711 7.311 -5.785 1.00 0.00 C ATOM 813 C LEU A 54 -7.759 6.360 -6.353 1.00 0.00 C ATOM 814 O LEU A 54 -8.839 6.784 -6.766 1.00 0.00 O ATOM 815 CB LEU A 54 -7.393 8.550 -5.201 1.00 0.00 C ATOM 816 CG LEU A 54 -6.596 9.321 -4.148 1.00 0.00 C ATOM 817 CD1 LEU A 54 -6.241 8.416 -2.978 1.00 0.00 C ATOM 818 CD2 LEU A 54 -5.339 9.920 -4.762 1.00 0.00 C ATOM 0 H LEU A 54 -6.026 8.512 -7.362 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.170 6.794 -4.993 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.629 9.230 -6.019 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.341 8.244 -4.758 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.217 10.135 -3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.674 8.982 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.155 8.036 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.639 7.580 -3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.785 10.465 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.714 9.122 -5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.616 10.603 -5.565 1.00 0.00 H new ATOM 830 N THR A 55 -7.434 5.071 -6.371 1.00 0.00 N ATOM 831 CA THR A 55 -8.347 4.060 -6.887 1.00 0.00 C ATOM 832 C THR A 55 -8.544 2.931 -5.881 1.00 0.00 C ATOM 833 O THR A 55 -9.632 2.758 -5.333 1.00 0.00 O ATOM 834 CB THR A 55 -7.836 3.467 -8.214 1.00 0.00 C ATOM 835 OG1 THR A 55 -6.425 3.236 -8.136 1.00 0.00 O ATOM 836 CG2 THR A 55 -8.140 4.400 -9.376 1.00 0.00 C ATOM 0 H THR A 55 -6.544 4.703 -6.034 1.00 0.00 H new ATOM 0 HA THR A 55 -9.301 4.556 -7.063 1.00 0.00 H new ATOM 0 HB THR A 55 -8.349 2.521 -8.386 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.108 2.857 -8.983 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.770 3.960 -10.302 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.217 4.550 -9.450 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.651 5.360 -9.209 1.00 0.00 H new ATOM 844 N ASP A 56 -7.484 2.167 -5.643 1.00 0.00 N ATOM 845 CA ASP A 56 -7.539 1.055 -4.701 1.00 0.00 C ATOM 846 C ASP A 56 -7.525 1.561 -3.262 1.00 0.00 C ATOM 847 O ASP A 56 -7.568 2.767 -3.018 1.00 0.00 O ATOM 848 CB ASP A 56 -6.365 0.103 -4.932 1.00 0.00 C ATOM 849 CG ASP A 56 -6.616 -0.860 -6.075 1.00 0.00 C ATOM 850 OD1 ASP A 56 -7.283 -1.891 -5.848 1.00 0.00 O ATOM 851 OD2 ASP A 56 -6.146 -0.582 -7.198 1.00 0.00 O ATOM 0 H ASP A 56 -6.576 2.297 -6.089 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.471 0.515 -4.868 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.466 0.683 -5.141 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.175 -0.462 -4.020 1.00 0.00 H new ATOM 856 N GLN A 57 -7.465 0.632 -2.313 1.00 0.00 N ATOM 857 CA GLN A 57 -7.446 0.984 -0.899 1.00 0.00 C ATOM 858 C GLN A 57 -6.023 0.963 -0.351 1.00 0.00 C ATOM 859 O GLN A 57 -5.071 0.683 -1.079 1.00 0.00 O ATOM 860 CB GLN A 57 -8.328 0.022 -0.100 1.00 0.00 C ATOM 861 CG GLN A 57 -9.790 0.051 -0.515 1.00 0.00 C ATOM 862 CD GLN A 57 -10.492 -1.270 -0.269 1.00 0.00 C ATOM 863 OE1 GLN A 57 -11.153 -1.454 0.754 1.00 0.00 O ATOM 864 NE2 GLN A 57 -10.353 -2.199 -1.207 1.00 0.00 N ATOM 0 H GLN A 57 -7.429 -0.370 -2.498 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.839 1.995 -0.797 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.945 -0.992 -0.218 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -8.254 0.269 0.959 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.304 0.839 0.035 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.859 0.303 -1.573 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.796 -2.004 -2.039 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.803 -3.108 -1.096 1.00 0.00 H new ATOM 873 N VAL A 58 -5.886 1.260 0.937 1.00 0.00 N ATOM 874 CA VAL A 58 -4.579 1.274 1.584 1.00 0.00 C ATOM 875 C VAL A 58 -3.870 -0.065 1.419 1.00 0.00 C ATOM 876 O VAL A 58 -2.649 -0.154 1.551 1.00 0.00 O ATOM 877 CB VAL A 58 -4.699 1.598 3.085 1.00 0.00 C ATOM 878 CG1 VAL A 58 -3.335 1.535 3.755 1.00 0.00 C ATOM 879 CG2 VAL A 58 -5.338 2.963 3.286 1.00 0.00 C ATOM 0 H VAL A 58 -6.664 1.494 1.553 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.993 2.054 1.098 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.341 0.850 3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.439 1.767 4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.920 0.534 3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.667 2.260 3.289 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.415 3.175 4.352 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.724 3.726 2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.334 2.967 2.843 1.00 0.00 H new ATOM 889 N SER A 59 -4.644 -1.106 1.128 1.00 0.00 N ATOM 890 CA SER A 59 -4.090 -2.443 0.947 1.00 0.00 C ATOM 891 C SER A 59 -2.947 -2.426 -0.063 1.00 0.00 C ATOM 892 O SER A 59 -1.966 -3.157 0.079 1.00 0.00 O ATOM 893 CB SER A 59 -5.181 -3.411 0.484 1.00 0.00 C ATOM 894 OG SER A 59 -5.690 -3.037 -0.784 1.00 0.00 O ATOM 0 H SER A 59 -5.656 -1.049 1.013 1.00 0.00 H new ATOM 0 HA SER A 59 -3.698 -2.780 1.907 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.777 -4.422 0.433 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.990 -3.428 1.214 1.00 0.00 H new ATOM 0 HG SER A 59 -6.384 -3.672 -1.058 1.00 0.00 H new ATOM 900 N VAL A 60 -3.081 -1.587 -1.085 1.00 0.00 N ATOM 901 CA VAL A 60 -2.060 -1.472 -2.119 1.00 0.00 C ATOM 902 C VAL A 60 -0.784 -0.849 -1.566 1.00 0.00 C ATOM 903 O VAL A 60 0.296 -1.013 -2.134 1.00 0.00 O ATOM 904 CB VAL A 60 -2.557 -0.627 -3.308 1.00 0.00 C ATOM 905 CG1 VAL A 60 -3.710 -1.325 -4.014 1.00 0.00 C ATOM 906 CG2 VAL A 60 -2.970 0.760 -2.839 1.00 0.00 C ATOM 0 H VAL A 60 -3.887 -0.977 -1.219 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.846 -2.483 -2.465 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.739 -0.517 -4.020 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.048 -0.714 -4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.377 -2.294 -4.384 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.533 -1.468 -3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.318 1.344 -3.691 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.773 0.672 -2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.115 1.259 -2.383 1.00 0.00 H new ATOM 916 N ILE A 61 -0.915 -0.134 -0.453 1.00 0.00 N ATOM 917 CA ILE A 61 0.228 0.512 0.179 1.00 0.00 C ATOM 918 C ILE A 61 1.145 -0.513 0.836 1.00 0.00 C ATOM 919 O ILE A 61 2.342 -0.278 1.000 1.00 0.00 O ATOM 920 CB ILE A 61 -0.219 1.538 1.237 1.00 0.00 C ATOM 921 CG1 ILE A 61 -1.142 2.583 0.607 1.00 0.00 C ATOM 922 CG2 ILE A 61 0.992 2.206 1.871 1.00 0.00 C ATOM 923 CD1 ILE A 61 -1.537 3.691 1.558 1.00 0.00 C ATOM 0 H ILE A 61 -1.802 0.012 0.029 1.00 0.00 H new ATOM 0 HA ILE A 61 0.773 1.030 -0.610 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.772 1.016 2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.646 3.019 -0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.043 2.089 0.244 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.660 2.929 2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.615 1.451 2.350 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.570 2.718 1.101 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.191 4.395 1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.062 3.266 2.414 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.643 4.211 1.902 1.00 0.00 H new ATOM 935 N LYS A 62 0.576 -1.654 1.211 1.00 0.00 N ATOM 936 CA LYS A 62 1.341 -2.719 1.849 1.00 0.00 C ATOM 937 C LYS A 62 2.119 -3.524 0.813 1.00 0.00 C ATOM 938 O LYS A 62 3.341 -3.646 0.897 1.00 0.00 O ATOM 939 CB LYS A 62 0.410 -3.644 2.635 1.00 0.00 C ATOM 940 CG LYS A 62 0.022 -3.099 3.999 1.00 0.00 C ATOM 941 CD LYS A 62 -1.250 -3.749 4.518 1.00 0.00 C ATOM 942 CE LYS A 62 -1.802 -3.009 5.726 1.00 0.00 C ATOM 943 NZ LYS A 62 -2.750 -3.850 6.507 1.00 0.00 N ATOM 0 H LYS A 62 -0.414 -1.865 1.084 1.00 0.00 H new ATOM 0 HA LYS A 62 2.052 -2.260 2.537 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.494 -3.817 2.051 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.896 -4.611 2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.834 -3.272 4.705 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.120 -2.020 3.934 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.000 -3.766 3.727 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.046 -4.786 4.787 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.978 -2.698 6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.309 -2.102 5.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.714 -3.575 7.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.715 -3.713 6.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.484 -4.851 6.413 1.00 0.00 H new ATOM 957 N VAL A 63 1.403 -4.072 -0.164 1.00 0.00 N ATOM 958 CA VAL A 63 2.027 -4.863 -1.218 1.00 0.00 C ATOM 959 C VAL A 63 3.261 -4.162 -1.775 1.00 0.00 C ATOM 960 O VAL A 63 4.246 -4.807 -2.135 1.00 0.00 O ATOM 961 CB VAL A 63 1.043 -5.139 -2.370 1.00 0.00 C ATOM 962 CG1 VAL A 63 1.009 -3.965 -3.336 1.00 0.00 C ATOM 963 CG2 VAL A 63 1.417 -6.425 -3.093 1.00 0.00 C ATOM 0 H VAL A 63 0.390 -3.983 -0.247 1.00 0.00 H new ATOM 0 HA VAL A 63 2.324 -5.811 -0.768 1.00 0.00 H new ATOM 0 HB VAL A 63 0.044 -5.262 -1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.308 -4.178 -4.143 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.690 -3.067 -2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.004 -3.807 -3.752 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.711 -6.605 -3.904 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.423 -6.333 -3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.384 -7.259 -2.392 1.00 0.00 H new ATOM 973 N LYS A 64 3.201 -2.836 -1.843 1.00 0.00 N ATOM 974 CA LYS A 64 4.314 -2.045 -2.354 1.00 0.00 C ATOM 975 C LYS A 64 5.563 -2.248 -1.503 1.00 0.00 C ATOM 976 O LYS A 64 6.656 -2.458 -2.029 1.00 0.00 O ATOM 977 CB LYS A 64 3.940 -0.561 -2.384 1.00 0.00 C ATOM 978 CG LYS A 64 2.765 -0.248 -3.294 1.00 0.00 C ATOM 979 CD LYS A 64 3.227 0.125 -4.692 1.00 0.00 C ATOM 980 CE LYS A 64 3.239 -1.083 -5.616 1.00 0.00 C ATOM 981 NZ LYS A 64 1.861 -1.544 -5.946 1.00 0.00 N ATOM 0 H LYS A 64 2.393 -2.287 -1.550 1.00 0.00 H new ATOM 0 HA LYS A 64 4.529 -2.380 -3.369 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.702 -0.234 -1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.805 0.017 -2.710 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.104 -1.113 -3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.184 0.572 -2.871 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.569 0.891 -5.102 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.227 0.557 -4.643 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.768 -0.831 -6.535 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.790 -1.896 -5.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.803 -2.576 -5.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.180 -1.086 -5.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.637 -1.292 -6.930 1.00 0.00 H new ATOM 995 N ILE A 65 5.393 -2.187 -0.187 1.00 0.00 N ATOM 996 CA ILE A 65 6.506 -2.367 0.736 1.00 0.00 C ATOM 997 C ILE A 65 7.189 -3.713 0.518 1.00 0.00 C ATOM 998 O ILE A 65 8.371 -3.774 0.176 1.00 0.00 O ATOM 999 CB ILE A 65 6.044 -2.271 2.202 1.00 0.00 C ATOM 1000 CG1 ILE A 65 5.286 -0.962 2.436 1.00 0.00 C ATOM 1001 CG2 ILE A 65 7.236 -2.374 3.142 1.00 0.00 C ATOM 1002 CD1 ILE A 65 4.591 -0.898 3.778 1.00 0.00 C ATOM 0 H ILE A 65 4.495 -2.014 0.264 1.00 0.00 H new ATOM 0 HA ILE A 65 7.215 -1.565 0.534 1.00 0.00 H new ATOM 0 HB ILE A 65 5.370 -3.102 2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.984 -0.128 2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.546 -0.834 1.646 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.893 -2.304 4.174 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.738 -3.330 2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.933 -1.562 2.936 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.074 0.057 3.875 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.868 -1.711 3.853 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.329 -0.994 4.575 1.00 0.00 H new ATOM 1014 N HIS A 66 6.437 -4.791 0.715 1.00 0.00 N ATOM 1015 CA HIS A 66 6.969 -6.138 0.537 1.00 0.00 C ATOM 1016 C HIS A 66 7.758 -6.242 -0.765 1.00 0.00 C ATOM 1017 O HIS A 66 8.720 -7.004 -0.858 1.00 0.00 O ATOM 1018 CB HIS A 66 5.834 -7.162 0.543 1.00 0.00 C ATOM 1019 CG HIS A 66 6.304 -8.577 0.404 1.00 0.00 C ATOM 1020 ND1 HIS A 66 6.405 -9.221 -0.811 1.00 0.00 N ATOM 1021 CD2 HIS A 66 6.703 -9.473 1.337 1.00 0.00 C ATOM 1022 CE1 HIS A 66 6.845 -10.452 -0.619 1.00 0.00 C ATOM 1023 NE2 HIS A 66 7.033 -10.630 0.676 1.00 0.00 N ATOM 0 H HIS A 66 5.458 -4.758 0.998 1.00 0.00 H new ATOM 0 HA HIS A 66 7.643 -6.349 1.367 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.272 -7.064 1.472 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.146 -6.935 -0.271 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.753 -9.308 2.403 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.021 -11.188 -1.390 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.369 -11.488 1.114 1.00 0.00 H new ATOM 1032 N GLU A 67 7.343 -5.473 -1.766 1.00 0.00 N ATOM 1033 CA GLU A 67 8.011 -5.481 -3.062 1.00 0.00 C ATOM 1034 C GLU A 67 9.484 -5.108 -2.918 1.00 0.00 C ATOM 1035 O GLU A 67 10.369 -5.883 -3.279 1.00 0.00 O ATOM 1036 CB GLU A 67 7.320 -4.512 -4.023 1.00 0.00 C ATOM 1037 CG GLU A 67 7.335 -4.975 -5.471 1.00 0.00 C ATOM 1038 CD GLU A 67 8.672 -5.563 -5.880 1.00 0.00 C ATOM 1039 OE1 GLU A 67 9.601 -4.780 -6.169 1.00 0.00 O ATOM 1040 OE2 GLU A 67 8.788 -6.806 -5.913 1.00 0.00 O ATOM 0 H GLU A 67 6.548 -4.837 -1.705 1.00 0.00 H new ATOM 0 HA GLU A 67 7.948 -6.491 -3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.286 -4.374 -3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.807 -3.539 -3.957 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.554 -5.721 -5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.098 -4.132 -6.121 1.00 0.00 H new ATOM 1047 N ALA A 68 9.737 -3.916 -2.388 1.00 0.00 N ATOM 1048 CA ALA A 68 11.101 -3.441 -2.194 1.00 0.00 C ATOM 1049 C ALA A 68 11.749 -4.108 -0.986 1.00 0.00 C ATOM 1050 O ALA A 68 12.818 -4.710 -1.094 1.00 0.00 O ATOM 1051 CB ALA A 68 11.114 -1.927 -2.034 1.00 0.00 C ATOM 0 H ALA A 68 9.015 -3.262 -2.085 1.00 0.00 H new ATOM 0 HA ALA A 68 11.681 -3.708 -3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 68 12.139 -1.585 -1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.699 -1.463 -2.929 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.513 -1.647 -1.169 1.00 0.00 H new ATOM 1057 N THR A 69 11.095 -3.998 0.167 1.00 0.00 N ATOM 1058 CA THR A 69 11.609 -4.589 1.396 1.00 0.00 C ATOM 1059 C THR A 69 11.058 -5.996 1.601 1.00 0.00 C ATOM 1060 O THR A 69 10.011 -6.348 1.060 1.00 0.00 O ATOM 1061 CB THR A 69 11.257 -3.728 2.623 1.00 0.00 C ATOM 1062 OG1 THR A 69 9.843 -3.750 2.848 1.00 0.00 O ATOM 1063 CG2 THR A 69 11.722 -2.293 2.429 1.00 0.00 C ATOM 0 H THR A 69 10.209 -3.505 0.275 1.00 0.00 H new ATOM 0 HA THR A 69 12.693 -4.637 1.295 1.00 0.00 H new ATOM 0 HB THR A 69 11.769 -4.145 3.490 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.374 -3.644 1.994 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.462 -1.704 3.309 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.803 -2.277 2.288 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.235 -1.868 1.551 1.00 0.00 H new ATOM 1071 N GLY A 70 11.770 -6.796 2.389 1.00 0.00 N ATOM 1072 CA GLY A 70 11.335 -8.156 2.652 1.00 0.00 C ATOM 1073 C GLY A 70 10.330 -8.234 3.784 1.00 0.00 C ATOM 1074 O GLY A 70 10.372 -9.156 4.598 1.00 0.00 O ATOM 0 H GLY A 70 12.639 -6.527 2.850 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.892 -8.574 1.748 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.201 -8.771 2.896 1.00 0.00 H new ATOM 1078 N MET A 71 9.424 -7.263 3.837 1.00 0.00 N ATOM 1079 CA MET A 71 8.404 -7.226 4.878 1.00 0.00 C ATOM 1080 C MET A 71 7.047 -7.654 4.326 1.00 0.00 C ATOM 1081 O MET A 71 6.641 -7.255 3.235 1.00 0.00 O ATOM 1082 CB MET A 71 8.304 -5.821 5.475 1.00 0.00 C ATOM 1083 CG MET A 71 7.624 -5.785 6.834 1.00 0.00 C ATOM 1084 SD MET A 71 7.759 -4.175 7.635 1.00 0.00 S ATOM 1085 CE MET A 71 7.161 -4.563 9.278 1.00 0.00 C ATOM 0 H MET A 71 9.376 -6.492 3.171 1.00 0.00 H new ATOM 0 HA MET A 71 8.695 -7.926 5.661 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.306 -5.403 5.568 1.00 0.00 H new ATOM 0 HB3 MET A 71 7.754 -5.180 4.786 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.571 -6.041 6.716 1.00 0.00 H new ATOM 0 HG3 MET A 71 8.067 -6.545 7.478 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.374 -3.861 9.554 1.00 0.00 H new ATOM 0 HE2 MET A 71 6.763 -5.578 9.290 1.00 0.00 H new ATOM 0 HE3 MET A 71 7.982 -4.486 9.991 1.00 0.00 H new ATOM 1095 N PRO A 72 6.329 -8.485 5.096 1.00 0.00 N ATOM 1096 CA PRO A 72 5.008 -8.984 4.704 1.00 0.00 C ATOM 1097 C PRO A 72 3.946 -7.890 4.724 1.00 0.00 C ATOM 1098 O PRO A 72 4.148 -6.826 5.308 1.00 0.00 O ATOM 1099 CB PRO A 72 4.702 -10.047 5.762 1.00 0.00 C ATOM 1100 CG PRO A 72 5.503 -9.640 6.950 1.00 0.00 C ATOM 1101 CD PRO A 72 6.752 -9.001 6.409 1.00 0.00 C ATOM 0 HA PRO A 72 5.003 -9.366 3.683 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.638 -10.079 5.994 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.983 -11.042 5.417 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.947 -8.941 7.575 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.744 -10.502 7.572 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.109 -8.202 7.059 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.564 -9.722 6.315 1.00 0.00 H new ATOM 1109 N ALA A 73 2.813 -8.160 4.083 1.00 0.00 N ATOM 1110 CA ALA A 73 1.718 -7.200 4.029 1.00 0.00 C ATOM 1111 C ALA A 73 0.671 -7.502 5.096 1.00 0.00 C ATOM 1112 O ALA A 73 -0.525 -7.546 4.810 1.00 0.00 O ATOM 1113 CB ALA A 73 1.082 -7.200 2.647 1.00 0.00 C ATOM 0 H ALA A 73 2.630 -9.036 3.594 1.00 0.00 H new ATOM 0 HA ALA A 73 2.126 -6.209 4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.266 -6.478 2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.830 -6.928 1.902 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.694 -8.194 2.425 1.00 0.00 H new ATOM 1119 N GLY A 74 1.129 -7.709 6.327 1.00 0.00 N ATOM 1120 CA GLY A 74 0.218 -8.005 7.417 1.00 0.00 C ATOM 1121 C GLY A 74 0.724 -7.493 8.751 1.00 0.00 C ATOM 1122 O GLY A 74 0.239 -6.484 9.262 1.00 0.00 O ATOM 0 H GLY A 74 2.114 -7.677 6.589 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.754 -7.559 7.205 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.068 -9.083 7.478 1.00 0.00 H new ATOM 1126 N LYS A 75 1.702 -8.192 9.318 1.00 0.00 N ATOM 1127 CA LYS A 75 2.275 -7.804 10.602 1.00 0.00 C ATOM 1128 C LYS A 75 2.494 -6.296 10.666 1.00 0.00 C ATOM 1129 O LYS A 75 2.294 -5.675 11.709 1.00 0.00 O ATOM 1130 CB LYS A 75 3.600 -8.533 10.833 1.00 0.00 C ATOM 1131 CG LYS A 75 3.431 -9.965 11.311 1.00 0.00 C ATOM 1132 CD LYS A 75 4.665 -10.801 11.015 1.00 0.00 C ATOM 1133 CE LYS A 75 4.688 -11.268 9.568 1.00 0.00 C ATOM 1134 NZ LYS A 75 3.872 -12.498 9.369 1.00 0.00 N ATOM 0 H LYS A 75 2.114 -9.030 8.908 1.00 0.00 H new ATOM 0 HA LYS A 75 1.572 -8.085 11.386 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.171 -8.534 9.905 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.186 -7.980 11.567 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.235 -9.971 12.383 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.563 -10.411 10.826 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.561 -10.216 11.224 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.687 -11.666 11.678 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.311 -10.474 8.924 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.717 -11.462 9.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.913 -12.784 8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.247 -13.264 9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.885 -12.306 9.634 1.00 0.00 H new ATOM 1148 N GLN A 76 2.906 -5.714 9.544 1.00 0.00 N ATOM 1149 CA GLN A 76 3.152 -4.279 9.473 1.00 0.00 C ATOM 1150 C GLN A 76 1.854 -3.496 9.639 1.00 0.00 C ATOM 1151 O GLN A 76 0.774 -3.984 9.304 1.00 0.00 O ATOM 1152 CB GLN A 76 3.814 -3.918 8.142 1.00 0.00 C ATOM 1153 CG GLN A 76 2.904 -4.108 6.939 1.00 0.00 C ATOM 1154 CD GLN A 76 3.353 -3.305 5.735 1.00 0.00 C ATOM 1155 OE1 GLN A 76 3.018 -2.128 5.598 1.00 0.00 O ATOM 1156 NE2 GLN A 76 4.118 -3.938 4.853 1.00 0.00 N ATOM 0 H GLN A 76 3.076 -6.215 8.672 1.00 0.00 H new ATOM 0 HA GLN A 76 3.824 -4.010 10.288 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.142 -2.879 8.179 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.707 -4.530 8.012 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.873 -5.165 6.675 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.888 -3.817 7.207 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.372 -4.914 5.006 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.452 -3.448 4.023 1.00 0.00 H new ATOM 1165 N LYS A 77 1.966 -2.277 10.157 1.00 0.00 N ATOM 1166 CA LYS A 77 0.801 -1.425 10.366 1.00 0.00 C ATOM 1167 C LYS A 77 1.023 -0.043 9.759 1.00 0.00 C ATOM 1168 O LYS A 77 1.948 0.674 10.142 1.00 0.00 O ATOM 1169 CB LYS A 77 0.502 -1.294 11.861 1.00 0.00 C ATOM 1170 CG LYS A 77 -0.971 -1.086 12.170 1.00 0.00 C ATOM 1171 CD LYS A 77 -1.341 -1.658 13.529 1.00 0.00 C ATOM 1172 CE LYS A 77 -0.811 -0.792 14.661 1.00 0.00 C ATOM 1173 NZ LYS A 77 -0.897 -1.485 15.976 1.00 0.00 N ATOM 0 H LYS A 77 2.852 -1.857 10.440 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.052 -1.889 9.870 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.849 -2.192 12.373 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.071 -0.457 12.265 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.202 -0.021 12.147 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.576 -1.560 11.397 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.425 -1.739 13.608 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.939 -2.667 13.622 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.226 -0.524 14.459 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.378 0.138 14.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.823 -0.786 16.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.808 -1.982 16.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.121 -2.172 16.058 1.00 0.00 H new ATOM 1187 N LEU A 78 0.168 0.325 8.811 1.00 0.00 N ATOM 1188 CA LEU A 78 0.269 1.622 8.151 1.00 0.00 C ATOM 1189 C LEU A 78 -0.499 2.688 8.925 1.00 0.00 C ATOM 1190 O LEU A 78 -1.519 2.400 9.550 1.00 0.00 O ATOM 1191 CB LEU A 78 -0.265 1.531 6.720 1.00 0.00 C ATOM 1192 CG LEU A 78 0.324 0.418 5.853 1.00 0.00 C ATOM 1193 CD1 LEU A 78 -0.372 0.368 4.502 1.00 0.00 C ATOM 1194 CD2 LEU A 78 1.823 0.615 5.677 1.00 0.00 C ATOM 0 H LEU A 78 -0.603 -0.256 8.482 1.00 0.00 H new ATOM 0 HA LEU A 78 1.321 1.907 8.123 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.346 1.396 6.765 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.083 2.485 6.224 1.00 0.00 H new ATOM 0 HG LEU A 78 0.160 -0.534 6.358 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.061 -0.430 3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.435 0.177 4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.241 1.321 3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.225 -0.186 5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.010 1.575 5.195 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.309 0.598 6.652 1.00 0.00 H new ATOM 1206 N GLN A 79 -0.002 3.920 8.877 1.00 0.00 N ATOM 1207 CA GLN A 79 -0.643 5.029 9.574 1.00 0.00 C ATOM 1208 C GLN A 79 -0.450 6.336 8.810 1.00 0.00 C ATOM 1209 O GLN A 79 0.650 6.640 8.349 1.00 0.00 O ATOM 1210 CB GLN A 79 -0.080 5.164 10.989 1.00 0.00 C ATOM 1211 CG GLN A 79 -1.043 5.818 11.968 1.00 0.00 C ATOM 1212 CD GLN A 79 -0.355 6.300 13.229 1.00 0.00 C ATOM 1213 OE1 GLN A 79 0.855 6.529 13.242 1.00 0.00 O ATOM 1214 NE2 GLN A 79 -1.124 6.457 14.300 1.00 0.00 N ATOM 0 H GLN A 79 0.842 4.175 8.363 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.711 4.818 9.635 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.187 4.175 11.361 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.839 5.749 10.951 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.533 6.661 11.481 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.824 5.106 12.234 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.122 6.256 14.245 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.716 6.779 15.178 1.00 0.00 H new ATOM 1223 N TYR A 80 -1.526 7.104 8.681 1.00 0.00 N ATOM 1224 CA TYR A 80 -1.475 8.376 7.971 1.00 0.00 C ATOM 1225 C TYR A 80 -2.048 9.501 8.828 1.00 0.00 C ATOM 1226 O TYR A 80 -3.224 9.482 9.190 1.00 0.00 O ATOM 1227 CB TYR A 80 -2.247 8.280 6.653 1.00 0.00 C ATOM 1228 CG TYR A 80 -2.776 9.609 6.164 1.00 0.00 C ATOM 1229 CD1 TYR A 80 -1.913 10.596 5.702 1.00 0.00 C ATOM 1230 CD2 TYR A 80 -4.139 9.879 6.163 1.00 0.00 C ATOM 1231 CE1 TYR A 80 -2.392 11.812 5.254 1.00 0.00 C ATOM 1232 CE2 TYR A 80 -4.627 11.091 5.715 1.00 0.00 C ATOM 1233 CZ TYR A 80 -3.750 12.054 5.262 1.00 0.00 C ATOM 1234 OH TYR A 80 -4.232 13.264 4.817 1.00 0.00 O ATOM 0 H TYR A 80 -2.444 6.868 9.059 1.00 0.00 H new ATOM 0 HA TYR A 80 -0.430 8.602 7.757 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.595 7.855 5.890 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.082 7.590 6.780 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.849 10.409 5.693 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.829 9.128 6.519 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.707 12.568 4.900 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.690 11.283 5.719 1.00 0.00 H new ATOM 0 HH TYR A 80 -5.209 13.273 4.888 1.00 0.00 H new ATOM 1244 N GLU A 81 -1.207 10.480 9.146 1.00 0.00 N ATOM 1245 CA GLU A 81 -1.629 11.614 9.960 1.00 0.00 C ATOM 1246 C GLU A 81 -2.091 11.152 11.339 1.00 0.00 C ATOM 1247 O GLU A 81 -3.116 11.605 11.847 1.00 0.00 O ATOM 1248 CB GLU A 81 -2.755 12.380 9.263 1.00 0.00 C ATOM 1249 CG GLU A 81 -2.270 13.306 8.161 1.00 0.00 C ATOM 1250 CD GLU A 81 -1.691 14.600 8.699 1.00 0.00 C ATOM 1251 OE1 GLU A 81 -2.477 15.462 9.145 1.00 0.00 O ATOM 1252 OE2 GLU A 81 -0.451 14.751 8.673 1.00 0.00 O ATOM 0 H GLU A 81 -0.231 10.511 8.853 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.773 12.276 10.086 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.462 11.666 8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.298 12.965 10.005 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.513 12.793 7.567 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.100 13.534 7.492 1.00 0.00 H new ATOM 1259 N GLY A 82 -1.327 10.244 11.940 1.00 0.00 N ATOM 1260 CA GLY A 82 -1.674 9.734 13.253 1.00 0.00 C ATOM 1261 C GLY A 82 -2.975 8.956 13.248 1.00 0.00 C ATOM 1262 O GLY A 82 -3.700 8.939 14.243 1.00 0.00 O ATOM 0 H GLY A 82 -0.474 9.853 11.540 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.871 9.091 13.613 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.754 10.566 13.953 1.00 0.00 H new ATOM 1266 N ILE A 83 -3.272 8.311 12.125 1.00 0.00 N ATOM 1267 CA ILE A 83 -4.494 7.528 11.995 1.00 0.00 C ATOM 1268 C ILE A 83 -4.191 6.107 11.532 1.00 0.00 C ATOM 1269 O ILE A 83 -3.568 5.902 10.490 1.00 0.00 O ATOM 1270 CB ILE A 83 -5.477 8.179 11.004 1.00 0.00 C ATOM 1271 CG1 ILE A 83 -6.006 9.499 11.570 1.00 0.00 C ATOM 1272 CG2 ILE A 83 -6.626 7.231 10.697 1.00 0.00 C ATOM 1273 CD1 ILE A 83 -6.738 10.343 10.550 1.00 0.00 C ATOM 0 H ILE A 83 -2.683 8.315 11.292 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.954 7.496 12.983 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.947 8.389 10.075 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.677 9.285 12.402 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.171 10.073 11.973 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.312 7.706 9.995 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.234 6.314 10.257 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.157 6.993 11.618 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.085 11.263 11.021 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.064 10.587 9.729 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.593 9.788 10.165 1.00 0.00 H new ATOM 1285 N PHE A 84 -4.635 5.128 12.314 1.00 0.00 N ATOM 1286 CA PHE A 84 -4.412 3.726 11.984 1.00 0.00 C ATOM 1287 C PHE A 84 -5.197 3.328 10.737 1.00 0.00 C ATOM 1288 O PHE A 84 -6.282 2.754 10.831 1.00 0.00 O ATOM 1289 CB PHE A 84 -4.815 2.833 13.159 1.00 0.00 C ATOM 1290 CG PHE A 84 -3.872 2.917 14.326 1.00 0.00 C ATOM 1291 CD1 PHE A 84 -2.570 2.458 14.215 1.00 0.00 C ATOM 1292 CD2 PHE A 84 -4.289 3.454 15.533 1.00 0.00 C ATOM 1293 CE1 PHE A 84 -1.701 2.533 15.287 1.00 0.00 C ATOM 1294 CE2 PHE A 84 -3.425 3.533 16.609 1.00 0.00 C ATOM 1295 CZ PHE A 84 -2.128 3.072 16.485 1.00 0.00 C ATOM 0 H PHE A 84 -5.151 5.280 13.180 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.349 3.592 11.781 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.816 3.111 13.490 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.868 1.799 12.818 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.230 2.037 13.280 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.302 3.815 15.634 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.689 2.170 15.188 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.763 3.954 17.544 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.450 3.133 17.323 1.00 0.00 H new ATOM 1305 N ILE A 85 -4.641 3.639 9.571 1.00 0.00 N ATOM 1306 CA ILE A 85 -5.287 3.315 8.306 1.00 0.00 C ATOM 1307 C ILE A 85 -5.199 1.821 8.010 1.00 0.00 C ATOM 1308 O ILE A 85 -4.117 1.289 7.761 1.00 0.00 O ATOM 1309 CB ILE A 85 -4.660 4.096 7.136 1.00 0.00 C ATOM 1310 CG1 ILE A 85 -3.138 4.149 7.287 1.00 0.00 C ATOM 1311 CG2 ILE A 85 -5.240 5.501 7.066 1.00 0.00 C ATOM 1312 CD1 ILE A 85 -2.416 4.498 6.005 1.00 0.00 C ATOM 0 H ILE A 85 -3.744 4.115 9.477 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.334 3.603 8.404 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.896 3.580 6.206 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.882 4.884 8.050 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.782 3.182 7.643 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.787 6.041 6.234 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.318 5.443 6.917 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -5.031 6.028 7.997 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.341 4.518 6.186 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.642 3.750 5.245 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.743 5.478 5.658 1.00 0.00 H new ATOM 1324 N LYS A 86 -6.345 1.149 8.038 1.00 0.00 N ATOM 1325 CA LYS A 86 -6.399 -0.283 7.770 1.00 0.00 C ATOM 1326 C LYS A 86 -6.465 -0.554 6.270 1.00 0.00 C ATOM 1327 O LYS A 86 -6.698 0.357 5.475 1.00 0.00 O ATOM 1328 CB LYS A 86 -7.611 -0.907 8.465 1.00 0.00 C ATOM 1329 CG LYS A 86 -7.370 -2.325 8.952 1.00 0.00 C ATOM 1330 CD LYS A 86 -8.610 -2.909 9.607 1.00 0.00 C ATOM 1331 CE LYS A 86 -8.824 -2.341 11.001 1.00 0.00 C ATOM 1332 NZ LYS A 86 -10.182 -2.656 11.526 1.00 0.00 N ATOM 0 H LYS A 86 -7.249 1.574 8.244 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.489 -0.735 8.164 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.893 -0.284 9.313 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.455 -0.907 7.775 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.071 -2.953 8.113 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.545 -2.331 9.664 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.483 -2.698 8.989 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.515 -3.993 9.665 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.071 -2.745 11.677 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.685 -1.260 10.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.288 -2.252 12.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.901 -2.249 10.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.306 -3.688 11.572 1.00 0.00 H new ATOM 1346 N ASP A 87 -6.259 -1.810 5.891 1.00 0.00 N ATOM 1347 CA ASP A 87 -6.297 -2.201 4.487 1.00 0.00 C ATOM 1348 C ASP A 87 -7.725 -2.161 3.950 1.00 0.00 C ATOM 1349 O ASP A 87 -7.946 -1.920 2.763 1.00 0.00 O ATOM 1350 CB ASP A 87 -5.713 -3.603 4.310 1.00 0.00 C ATOM 1351 CG ASP A 87 -6.026 -4.514 5.481 1.00 0.00 C ATOM 1352 OD1 ASP A 87 -5.347 -4.396 6.522 1.00 0.00 O ATOM 1353 OD2 ASP A 87 -6.950 -5.345 5.356 1.00 0.00 O ATOM 0 H ASP A 87 -6.064 -2.575 6.537 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.695 -1.490 3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.107 -4.045 3.395 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.632 -3.530 4.189 1.00 0.00 H new ATOM 1358 N SER A 88 -8.690 -2.398 4.832 1.00 0.00 N ATOM 1359 CA SER A 88 -10.097 -2.394 4.446 1.00 0.00 C ATOM 1360 C SER A 88 -10.569 -0.977 4.133 1.00 0.00 C ATOM 1361 O SER A 88 -11.604 -0.783 3.496 1.00 0.00 O ATOM 1362 CB SER A 88 -10.955 -2.995 5.561 1.00 0.00 C ATOM 1363 OG SER A 88 -10.697 -4.380 5.713 1.00 0.00 O ATOM 0 H SER A 88 -8.524 -2.595 5.819 1.00 0.00 H new ATOM 0 HA SER A 88 -10.204 -3.002 3.547 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.751 -2.479 6.499 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.010 -2.841 5.335 1.00 0.00 H new ATOM 0 HG SER A 88 -11.256 -4.740 6.433 1.00 0.00 H new ATOM 1369 N ASN A 89 -9.802 0.009 4.585 1.00 0.00 N ATOM 1370 CA ASN A 89 -10.142 1.409 4.354 1.00 0.00 C ATOM 1371 C ASN A 89 -9.517 1.913 3.057 1.00 0.00 C ATOM 1372 O ASN A 89 -8.364 1.608 2.751 1.00 0.00 O ATOM 1373 CB ASN A 89 -9.671 2.270 5.528 1.00 0.00 C ATOM 1374 CG ASN A 89 -10.586 2.155 6.732 1.00 0.00 C ATOM 1375 OD1 ASN A 89 -11.317 3.089 7.062 1.00 0.00 O ATOM 1376 ND2 ASN A 89 -10.549 1.005 7.395 1.00 0.00 N ATOM 0 H ASN A 89 -8.941 -0.135 5.113 1.00 0.00 H new ATOM 0 HA ASN A 89 -11.226 1.485 4.268 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.662 1.972 5.812 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.619 3.312 5.213 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.142 0.869 8.214 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -9.928 0.258 7.086 1.00 0.00 H new ATOM 1383 N SER A 90 -10.286 2.687 2.297 1.00 0.00 N ATOM 1384 CA SER A 90 -9.809 3.231 1.031 1.00 0.00 C ATOM 1385 C SER A 90 -8.903 4.437 1.265 1.00 0.00 C ATOM 1386 O SER A 90 -8.960 5.076 2.316 1.00 0.00 O ATOM 1387 CB SER A 90 -10.991 3.631 0.146 1.00 0.00 C ATOM 1388 OG SER A 90 -11.906 2.558 0.001 1.00 0.00 O ATOM 0 H SER A 90 -11.242 2.951 2.536 1.00 0.00 H new ATOM 0 HA SER A 90 -9.231 2.457 0.526 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.500 4.491 0.581 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.628 3.938 -0.835 1.00 0.00 H new ATOM 0 HG SER A 90 -11.758 2.116 -0.861 1.00 0.00 H new ATOM 1394 N LEU A 91 -8.069 4.741 0.277 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.149 5.870 0.373 1.00 0.00 C ATOM 1396 C LEU A 91 -7.886 7.190 0.172 1.00 0.00 C ATOM 1397 O LEU A 91 -7.682 8.146 0.919 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.032 5.733 -0.663 1.00 0.00 C ATOM 1399 CG LEU A 91 -4.836 4.874 -0.250 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -4.134 4.312 -1.477 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -3.866 5.683 0.598 1.00 0.00 C ATOM 0 H LEU A 91 -8.010 4.222 -0.599 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.712 5.867 1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.458 5.313 -1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.669 6.730 -0.911 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.201 4.039 0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.286 3.703 -1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.832 3.697 -2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.781 5.132 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.021 5.056 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.507 6.537 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.374 6.036 1.495 1.00 0.00 H new ATOM 1413 N ALA A 92 -8.744 7.235 -0.842 1.00 0.00 N ATOM 1414 CA ALA A 92 -9.514 8.436 -1.139 1.00 0.00 C ATOM 1415 C ALA A 92 -10.476 8.766 -0.003 1.00 0.00 C ATOM 1416 O ALA A 92 -10.756 9.935 0.266 1.00 0.00 O ATOM 1417 CB ALA A 92 -10.275 8.266 -2.446 1.00 0.00 C ATOM 0 H ALA A 92 -8.923 6.453 -1.472 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.817 9.268 -1.243 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.846 9.171 -2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -9.569 8.086 -3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.956 7.419 -2.363 1.00 0.00 H new ATOM 1423 N TYR A 93 -10.980 7.731 0.659 1.00 0.00 N ATOM 1424 CA TYR A 93 -11.913 7.911 1.764 1.00 0.00 C ATOM 1425 C TYR A 93 -11.320 8.821 2.836 1.00 0.00 C ATOM 1426 O TYR A 93 -11.991 9.720 3.343 1.00 0.00 O ATOM 1427 CB TYR A 93 -12.281 6.558 2.375 1.00 0.00 C ATOM 1428 CG TYR A 93 -12.920 6.664 3.741 1.00 0.00 C ATOM 1429 CD1 TYR A 93 -14.291 6.849 3.876 1.00 0.00 C ATOM 1430 CD2 TYR A 93 -12.154 6.577 4.897 1.00 0.00 C ATOM 1431 CE1 TYR A 93 -14.879 6.947 5.122 1.00 0.00 C ATOM 1432 CE2 TYR A 93 -12.734 6.673 6.147 1.00 0.00 C ATOM 1433 CZ TYR A 93 -14.097 6.858 6.255 1.00 0.00 C ATOM 1434 OH TYR A 93 -14.679 6.954 7.498 1.00 0.00 O ATOM 0 H TYR A 93 -10.758 6.758 0.449 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.814 8.382 1.371 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.964 6.039 1.703 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.382 5.946 2.450 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -14.907 6.917 2.992 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.087 6.432 4.817 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -15.946 7.093 5.209 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.124 6.604 7.035 1.00 0.00 H new ATOM 0 HH TYR A 93 -13.990 6.870 8.189 1.00 0.00 H new ATOM 1444 N TYR A 94 -10.058 8.581 3.174 1.00 0.00 N ATOM 1445 CA TYR A 94 -9.373 9.377 4.186 1.00 0.00 C ATOM 1446 C TYR A 94 -9.027 10.762 3.647 1.00 0.00 C ATOM 1447 O TYR A 94 -8.690 11.669 4.407 1.00 0.00 O ATOM 1448 CB TYR A 94 -8.101 8.665 4.650 1.00 0.00 C ATOM 1449 CG TYR A 94 -8.333 7.686 5.778 1.00 0.00 C ATOM 1450 CD1 TYR A 94 -8.629 8.130 7.061 1.00 0.00 C ATOM 1451 CD2 TYR A 94 -8.256 6.315 5.561 1.00 0.00 C ATOM 1452 CE1 TYR A 94 -8.840 7.239 8.095 1.00 0.00 C ATOM 1453 CE2 TYR A 94 -8.468 5.417 6.589 1.00 0.00 C ATOM 1454 CZ TYR A 94 -8.759 5.883 7.854 1.00 0.00 C ATOM 1455 OH TYR A 94 -8.970 4.993 8.881 1.00 0.00 O ATOM 0 H TYR A 94 -9.488 7.842 2.762 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.045 9.495 5.036 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.662 8.135 3.805 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.374 9.411 4.971 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.695 9.191 7.253 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.027 5.946 4.572 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.067 7.602 9.087 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.406 4.355 6.403 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.878 4.077 8.544 1.00 0.00 H new ATOM 1465 N ASN A 95 -9.113 10.916 2.330 1.00 0.00 N ATOM 1466 CA ASN A 95 -8.810 12.190 1.688 1.00 0.00 C ATOM 1467 C ASN A 95 -7.353 12.580 1.917 1.00 0.00 C ATOM 1468 O ASN A 95 -7.062 13.668 2.414 1.00 0.00 O ATOM 1469 CB ASN A 95 -9.734 13.286 2.221 1.00 0.00 C ATOM 1470 CG ASN A 95 -11.126 13.209 1.627 1.00 0.00 C ATOM 1471 OD1 ASN A 95 -11.578 14.134 0.952 1.00 0.00 O ATOM 1472 ND2 ASN A 95 -11.815 12.101 1.876 1.00 0.00 N ATOM 0 H ASN A 95 -9.390 10.175 1.686 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.973 12.077 0.616 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.800 13.205 3.306 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.301 14.262 2.000 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -12.758 11.992 1.503 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -11.401 11.359 2.441 1.00 0.00 H new ATOM 1479 N MET A 96 -6.441 11.685 1.552 1.00 0.00 N ATOM 1480 CA MET A 96 -5.014 11.938 1.716 1.00 0.00 C ATOM 1481 C MET A 96 -4.546 13.043 0.775 1.00 0.00 C ATOM 1482 O MET A 96 -5.123 13.248 -0.292 1.00 0.00 O ATOM 1483 CB MET A 96 -4.215 10.659 1.457 1.00 0.00 C ATOM 1484 CG MET A 96 -4.158 9.725 2.655 1.00 0.00 C ATOM 1485 SD MET A 96 -3.022 8.347 2.408 1.00 0.00 S ATOM 1486 CE MET A 96 -3.445 7.305 3.803 1.00 0.00 C ATOM 0 H MET A 96 -6.664 10.779 1.141 1.00 0.00 H new ATOM 0 HA MET A 96 -4.843 12.263 2.742 1.00 0.00 H new ATOM 0 HB2 MET A 96 -4.657 10.129 0.614 1.00 0.00 H new ATOM 0 HB3 MET A 96 -3.199 10.927 1.167 1.00 0.00 H new ATOM 0 HG2 MET A 96 -3.853 10.289 3.536 1.00 0.00 H new ATOM 0 HG3 MET A 96 -5.156 9.336 2.856 1.00 0.00 H new ATOM 0 HE1 MET A 96 -2.562 7.152 4.424 1.00 0.00 H new ATOM 0 HE2 MET A 96 -4.225 7.786 4.393 1.00 0.00 H new ATOM 0 HE3 MET A 96 -3.806 6.342 3.442 1.00 0.00 H new ATOM 1496 N ALA A 97 -3.496 13.751 1.178 1.00 0.00 N ATOM 1497 CA ALA A 97 -2.950 14.834 0.369 1.00 0.00 C ATOM 1498 C ALA A 97 -1.678 14.395 -0.349 1.00 0.00 C ATOM 1499 O ALA A 97 -0.971 13.500 0.113 1.00 0.00 O ATOM 1500 CB ALA A 97 -2.674 16.053 1.237 1.00 0.00 C ATOM 0 H ALA A 97 -3.007 13.594 2.059 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.690 15.099 -0.386 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.267 16.854 0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.602 16.388 1.700 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.955 15.792 2.013 1.00 0.00 H new ATOM 1506 N SER A 98 -1.394 15.031 -1.481 1.00 0.00 N ATOM 1507 CA SER A 98 -0.209 14.703 -2.266 1.00 0.00 C ATOM 1508 C SER A 98 1.028 14.630 -1.376 1.00 0.00 C ATOM 1509 O SER A 98 0.993 15.020 -0.210 1.00 0.00 O ATOM 1510 CB SER A 98 0.002 15.742 -3.369 1.00 0.00 C ATOM 1511 OG SER A 98 -0.739 15.411 -4.530 1.00 0.00 O ATOM 0 H SER A 98 -1.968 15.776 -1.875 1.00 0.00 H new ATOM 0 HA SER A 98 -0.365 13.726 -2.723 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.300 16.725 -3.009 1.00 0.00 H new ATOM 0 HB3 SER A 98 1.062 15.805 -3.616 1.00 0.00 H new ATOM 0 HG SER A 98 -0.588 16.091 -5.219 1.00 0.00 H new ATOM 1517 N GLY A 99 2.123 14.125 -1.937 1.00 0.00 N ATOM 1518 CA GLY A 99 3.357 14.009 -1.182 1.00 0.00 C ATOM 1519 C GLY A 99 3.116 13.652 0.272 1.00 0.00 C ATOM 1520 O GLY A 99 3.848 14.094 1.156 1.00 0.00 O ATOM 0 H GLY A 99 2.177 13.794 -2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.989 13.248 -1.640 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.902 14.951 -1.236 1.00 0.00 H new ATOM 1524 N ALA A 100 2.085 12.850 0.519 1.00 0.00 N ATOM 1525 CA ALA A 100 1.749 12.434 1.875 1.00 0.00 C ATOM 1526 C ALA A 100 2.890 11.641 2.504 1.00 0.00 C ATOM 1527 O ALA A 100 3.930 11.431 1.881 1.00 0.00 O ATOM 1528 CB ALA A 100 0.469 11.611 1.873 1.00 0.00 C ATOM 0 H ALA A 100 1.468 12.476 -0.202 1.00 0.00 H new ATOM 0 HA ALA A 100 1.590 13.330 2.475 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.230 11.307 2.892 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.348 12.210 1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.607 10.725 1.253 1.00 0.00 H new ATOM 1534 N VAL A 101 2.687 11.202 3.742 1.00 0.00 N ATOM 1535 CA VAL A 101 3.698 10.431 4.456 1.00 0.00 C ATOM 1536 C VAL A 101 3.060 9.328 5.292 1.00 0.00 C ATOM 1537 O VAL A 101 2.347 9.601 6.258 1.00 0.00 O ATOM 1538 CB VAL A 101 4.546 11.332 5.374 1.00 0.00 C ATOM 1539 CG1 VAL A 101 3.653 12.118 6.322 1.00 0.00 C ATOM 1540 CG2 VAL A 101 5.557 10.500 6.148 1.00 0.00 C ATOM 0 H VAL A 101 1.831 11.367 4.272 1.00 0.00 H new ATOM 0 HA VAL A 101 4.345 9.982 3.702 1.00 0.00 H new ATOM 0 HB VAL A 101 5.092 12.043 4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.269 12.749 6.963 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.971 12.743 5.745 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.078 11.426 6.938 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.148 11.152 6.792 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.032 9.765 6.759 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.216 9.986 5.449 1.00 0.00 H new ATOM 1550 N ILE A 102 3.322 8.081 4.914 1.00 0.00 N ATOM 1551 CA ILE A 102 2.774 6.936 5.630 1.00 0.00 C ATOM 1552 C ILE A 102 3.785 6.374 6.624 1.00 0.00 C ATOM 1553 O ILE A 102 4.812 5.817 6.233 1.00 0.00 O ATOM 1554 CB ILE A 102 2.347 5.818 4.661 1.00 0.00 C ATOM 1555 CG1 ILE A 102 1.367 6.362 3.619 1.00 0.00 C ATOM 1556 CG2 ILE A 102 1.724 4.661 5.429 1.00 0.00 C ATOM 1557 CD1 ILE A 102 0.050 6.816 4.208 1.00 0.00 C ATOM 0 H ILE A 102 3.910 7.838 4.117 1.00 0.00 H new ATOM 0 HA ILE A 102 1.897 7.292 6.170 1.00 0.00 H new ATOM 0 HB ILE A 102 3.232 5.450 4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.831 7.200 3.098 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.176 5.590 2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.427 3.879 4.731 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.451 4.260 6.136 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.847 5.015 5.972 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.595 7.189 3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.435 5.976 4.704 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.230 7.611 4.932 1.00 0.00 H new ATOM 1569 N HIS A 103 3.487 6.522 7.911 1.00 0.00 N ATOM 1570 CA HIS A 103 4.369 6.026 8.962 1.00 0.00 C ATOM 1571 C HIS A 103 4.243 4.513 9.108 1.00 0.00 C ATOM 1572 O HIS A 103 3.157 3.991 9.361 1.00 0.00 O ATOM 1573 CB HIS A 103 4.045 6.707 10.292 1.00 0.00 C ATOM 1574 CG HIS A 103 4.189 8.198 10.252 1.00 0.00 C ATOM 1575 ND1 HIS A 103 5.367 8.831 9.917 1.00 0.00 N ATOM 1576 CD2 HIS A 103 3.294 9.181 10.507 1.00 0.00 C ATOM 1577 CE1 HIS A 103 5.190 10.139 9.969 1.00 0.00 C ATOM 1578 NE2 HIS A 103 3.941 10.378 10.324 1.00 0.00 N ATOM 0 H HIS A 103 2.642 6.981 8.251 1.00 0.00 H new ATOM 0 HA HIS A 103 5.396 6.262 8.682 1.00 0.00 H new ATOM 0 HB2 HIS A 103 3.024 6.456 10.580 1.00 0.00 H new ATOM 0 HB3 HIS A 103 4.701 6.307 11.065 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.263 9.048 10.800 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.940 10.887 9.757 1.00 0.00 H new ATOM 0 HE2 HIS A 103 3.525 11.302 10.443 1.00 0.00 H new ATOM 1587 N LEU A 104 5.361 3.813 8.946 1.00 0.00 N ATOM 1588 CA LEU A 104 5.376 2.359 9.059 1.00 0.00 C ATOM 1589 C LEU A 104 5.668 1.927 10.492 1.00 0.00 C ATOM 1590 O LEU A 104 6.516 2.511 11.166 1.00 0.00 O ATOM 1591 CB LEU A 104 6.421 1.765 8.113 1.00 0.00 C ATOM 1592 CG LEU A 104 6.433 0.240 7.998 1.00 0.00 C ATOM 1593 CD1 LEU A 104 5.130 -0.260 7.395 1.00 0.00 C ATOM 1594 CD2 LEU A 104 7.620 -0.222 7.165 1.00 0.00 C ATOM 0 H LEU A 104 6.268 4.229 8.736 1.00 0.00 H new ATOM 0 HA LEU A 104 4.390 1.988 8.781 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.261 2.183 7.119 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.407 2.092 8.442 1.00 0.00 H new ATOM 0 HG LEU A 104 6.531 -0.180 8.999 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.157 -1.347 7.321 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.296 0.040 8.030 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.001 0.168 6.401 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.613 -1.310 7.094 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.552 0.208 6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.546 0.105 7.639 1.00 0.00 H new ATOM 1606 N ALA A 105 4.960 0.900 10.951 1.00 0.00 N ATOM 1607 CA ALA A 105 5.146 0.387 12.303 1.00 0.00 C ATOM 1608 C ALA A 105 4.952 -1.125 12.348 1.00 0.00 C ATOM 1609 O ALA A 105 4.298 -1.703 11.479 1.00 0.00 O ATOM 1610 CB ALA A 105 4.187 1.073 13.264 1.00 0.00 C ATOM 0 H ALA A 105 4.252 0.407 10.406 1.00 0.00 H new ATOM 0 HA ALA A 105 6.169 0.605 12.610 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.337 0.680 14.270 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.376 2.147 13.262 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.160 0.884 12.950 1.00 0.00 H new ATOM 1616 N LEU A 106 5.524 -1.760 13.365 1.00 0.00 N ATOM 1617 CA LEU A 106 5.415 -3.206 13.523 1.00 0.00 C ATOM 1618 C LEU A 106 4.369 -3.561 14.575 1.00 0.00 C ATOM 1619 O LEU A 106 4.504 -3.203 15.746 1.00 0.00 O ATOM 1620 CB LEU A 106 6.769 -3.800 13.913 1.00 0.00 C ATOM 1621 CG LEU A 106 6.735 -5.195 14.538 1.00 0.00 C ATOM 1622 CD1 LEU A 106 6.051 -6.182 13.604 1.00 0.00 C ATOM 1623 CD2 LEU A 106 8.143 -5.664 14.873 1.00 0.00 C ATOM 0 H LEU A 106 6.068 -1.296 14.093 1.00 0.00 H new ATOM 0 HA LEU A 106 5.102 -3.628 12.568 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.397 -3.838 13.023 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.253 -3.121 14.615 1.00 0.00 H new ATOM 0 HG LEU A 106 6.161 -5.143 15.463 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.036 -7.169 14.066 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.029 -5.855 13.414 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.597 -6.230 12.662 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.099 -6.659 15.317 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.741 -5.699 13.962 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.599 -4.971 15.580 1.00 0.00 H new ATOM 1635 N LYS A 107 3.327 -4.268 14.151 1.00 0.00 N ATOM 1636 CA LYS A 107 2.259 -4.675 15.057 1.00 0.00 C ATOM 1637 C LYS A 107 2.755 -5.725 16.046 1.00 0.00 C ATOM 1638 O LYS A 107 3.516 -6.621 15.684 1.00 0.00 O ATOM 1639 CB LYS A 107 1.073 -5.228 14.263 1.00 0.00 C ATOM 1640 CG LYS A 107 -0.256 -5.103 14.989 1.00 0.00 C ATOM 1641 CD LYS A 107 -1.357 -5.866 14.272 1.00 0.00 C ATOM 1642 CE LYS A 107 -1.280 -7.358 14.562 1.00 0.00 C ATOM 1643 NZ LYS A 107 -1.898 -7.701 15.873 1.00 0.00 N ATOM 0 H LYS A 107 3.199 -4.571 13.186 1.00 0.00 H new ATOM 0 HA LYS A 107 1.937 -3.797 15.617 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.008 -4.703 13.310 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.256 -6.278 14.036 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.153 -5.481 16.006 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.532 -4.051 15.066 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.329 -5.483 14.583 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.278 -5.698 13.198 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.784 -7.909 13.768 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.237 -7.675 14.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.825 -8.726 16.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.401 -7.195 16.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.900 -7.422 15.868 1.00 0.00 H new