USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 549 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 64 ASN : amide:sc= -0.793 K(o=-0.35,f=0.18) USER MOD Set 1.2: A 83 SER OG : rot 67:sc= 0.445 USER MOD Single : A 12 HIS : no HD1:sc= -0.0379 X(o=-0.038,f=-0.0032) USER MOD Single : A 13 SER OG : rot 180:sc= 0.00538 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00829) USER MOD Single : A 47 SER OG : rot -110:sc= 0.213 USER MOD Single : A 48 SER OG : rot 130:sc= -0.15 USER MOD Single : A 55 CYS SG : rot 180:sc= 0.0383 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -67:sc= 0.16 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.171 USER MOD Single : A 73 MET CE :methyl -155:sc= -2.95! (180deg=-7.38!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -40:sc= 0.754 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HE2:sc= -2.88! C(o=-2.9!,f=-3.2!) USER MOD Single : A 88 MET CE :methyl -121:sc= -3.62 (180deg=-8.29!) USER MOD Single : A 89 MET CE :methyl -138:sc= -0.107 (180deg=-2.67) USER MOD ----------------------------------------------------------------- ATOM 89 N ILE A 10 -5.888 -11.204 -13.304 1.00 0.00 N ATOM 90 CA ILE A 10 -6.611 -9.963 -13.082 1.00 0.00 C ATOM 91 C ILE A 10 -5.868 -9.125 -12.040 1.00 0.00 C ATOM 92 O ILE A 10 -5.071 -9.653 -11.266 1.00 0.00 O ATOM 93 CB ILE A 10 -8.068 -10.250 -12.715 1.00 0.00 C ATOM 94 CG1 ILE A 10 -8.785 -10.983 -13.851 1.00 0.00 C ATOM 95 CG2 ILE A 10 -8.796 -8.965 -12.313 1.00 0.00 C ATOM 96 CD1 ILE A 10 -10.262 -10.587 -13.913 1.00 0.00 C ATOM 0 HA ILE A 10 -6.648 -9.374 -13.998 1.00 0.00 H new ATOM 0 HB ILE A 10 -8.078 -10.910 -11.848 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.302 -10.751 -14.800 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.699 -12.060 -13.705 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.830 -9.197 -12.057 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.300 -8.520 -11.450 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.778 -8.261 -13.145 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -10.748 -11.122 -14.729 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.747 -10.843 -12.971 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -10.344 -9.514 -14.083 1.00 0.00 H new ATOM 108 N ILE A 11 -6.156 -7.831 -12.053 1.00 0.00 N ATOM 109 CA ILE A 11 -5.525 -6.915 -11.118 1.00 0.00 C ATOM 110 C ILE A 11 -6.360 -6.844 -9.838 1.00 0.00 C ATOM 111 O ILE A 11 -7.588 -6.839 -9.893 1.00 0.00 O ATOM 112 CB ILE A 11 -5.293 -5.553 -11.777 1.00 0.00 C ATOM 113 CG1 ILE A 11 -4.067 -5.588 -12.691 1.00 0.00 C ATOM 114 CG2 ILE A 11 -5.193 -4.446 -10.726 1.00 0.00 C ATOM 115 CD1 ILE A 11 -2.778 -5.407 -11.886 1.00 0.00 C ATOM 0 H ILE A 11 -6.818 -7.396 -12.696 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.537 -7.280 -10.835 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.155 -5.325 -12.404 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.035 -6.537 -13.227 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.145 -4.801 -13.441 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.028 -3.489 -11.220 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.119 -4.404 -10.153 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.360 -4.656 -10.055 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.921 -5.436 -12.559 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.803 -4.447 -11.371 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.691 -6.209 -11.154 1.00 0.00 H new ATOM 127 N HIS A 12 -5.659 -6.792 -8.715 1.00 0.00 N ATOM 128 CA HIS A 12 -6.319 -6.722 -7.422 1.00 0.00 C ATOM 129 C HIS A 12 -6.331 -5.274 -6.929 1.00 0.00 C ATOM 130 O HIS A 12 -5.332 -4.566 -7.048 1.00 0.00 O ATOM 131 CB HIS A 12 -5.667 -7.683 -6.426 1.00 0.00 C ATOM 132 CG HIS A 12 -5.974 -9.138 -6.685 1.00 0.00 C ATOM 133 ND1 HIS A 12 -6.240 -10.041 -5.669 1.00 0.00 N ATOM 134 CD2 HIS A 12 -6.057 -9.838 -7.853 1.00 0.00 C ATOM 135 CE1 HIS A 12 -6.469 -11.227 -6.213 1.00 0.00 C ATOM 136 NE2 HIS A 12 -6.354 -11.099 -7.567 1.00 0.00 N ATOM 0 H HIS A 12 -4.640 -6.797 -8.674 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.356 -7.043 -7.521 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.587 -7.540 -6.453 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -5.998 -7.426 -5.420 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -5.906 -9.434 -8.843 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.705 -12.136 -5.679 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -6.476 -11.849 -8.247 1.00 0.00 H new ATOM 144 N SER A 13 -7.472 -4.876 -6.387 1.00 0.00 N ATOM 145 CA SER A 13 -7.627 -3.525 -5.876 1.00 0.00 C ATOM 146 C SER A 13 -7.615 -3.540 -4.346 1.00 0.00 C ATOM 147 O SER A 13 -8.314 -4.337 -3.724 1.00 0.00 O ATOM 148 CB SER A 13 -8.919 -2.886 -6.390 1.00 0.00 C ATOM 149 OG SER A 13 -9.934 -3.856 -6.632 1.00 0.00 O ATOM 0 H SER A 13 -8.299 -5.466 -6.290 1.00 0.00 H new ATOM 0 HA SER A 13 -6.790 -2.926 -6.234 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.279 -2.159 -5.662 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.712 -2.340 -7.310 1.00 0.00 H new ATOM 0 HG SER A 13 -10.743 -3.409 -6.957 1.00 0.00 H new ATOM 155 N VAL A 14 -6.812 -2.648 -3.784 1.00 0.00 N ATOM 156 CA VAL A 14 -6.699 -2.549 -2.338 1.00 0.00 C ATOM 157 C VAL A 14 -6.483 -1.086 -1.947 1.00 0.00 C ATOM 158 O VAL A 14 -5.871 -0.324 -2.694 1.00 0.00 O ATOM 159 CB VAL A 14 -5.588 -3.473 -1.836 1.00 0.00 C ATOM 160 CG1 VAL A 14 -4.291 -3.246 -2.616 1.00 0.00 C ATOM 161 CG2 VAL A 14 -5.363 -3.292 -0.333 1.00 0.00 C ATOM 0 H VAL A 14 -6.234 -1.988 -4.303 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.620 -2.881 -1.859 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.905 -4.502 -2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.518 -3.915 -2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.462 -3.448 -3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.968 -2.212 -2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.568 -3.960 -0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.078 -2.260 -0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.282 -3.527 0.203 1.00 0.00 H new ATOM 171 N ARG A 15 -6.997 -0.737 -0.777 1.00 0.00 N ATOM 172 CA ARG A 15 -6.868 0.621 -0.278 1.00 0.00 C ATOM 173 C ARG A 15 -6.329 0.612 1.154 1.00 0.00 C ATOM 174 O ARG A 15 -7.018 0.180 2.077 1.00 0.00 O ATOM 175 CB ARG A 15 -8.214 1.348 -0.304 1.00 0.00 C ATOM 176 CG ARG A 15 -8.718 1.518 -1.739 1.00 0.00 C ATOM 177 CD ARG A 15 -10.247 1.541 -1.784 1.00 0.00 C ATOM 178 NE ARG A 15 -10.709 1.759 -3.173 1.00 0.00 N ATOM 179 CZ ARG A 15 -11.997 1.785 -3.541 1.00 0.00 C ATOM 180 NH1 ARG A 15 -12.959 1.609 -2.625 1.00 0.00 N ATOM 181 NH2 ARG A 15 -12.324 1.989 -4.825 1.00 0.00 N ATOM 0 H ARG A 15 -7.504 -1.372 -0.160 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.171 1.148 -0.929 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.945 0.787 0.278 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.113 2.325 0.168 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.324 2.443 -2.159 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.345 0.702 -2.358 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.644 0.600 -1.403 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.626 2.332 -1.137 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.003 1.898 -3.895 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.711 1.455 -1.648 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.940 1.629 -2.905 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.592 2.124 -5.522 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.305 2.009 -5.105 1.00 0.00 H new ATOM 195 N VAL A 16 -5.103 1.092 1.294 1.00 0.00 N ATOM 196 CA VAL A 16 -4.464 1.145 2.598 1.00 0.00 C ATOM 197 C VAL A 16 -4.382 2.600 3.063 1.00 0.00 C ATOM 198 O VAL A 16 -4.274 3.512 2.245 1.00 0.00 O ATOM 199 CB VAL A 16 -3.097 0.458 2.539 1.00 0.00 C ATOM 200 CG1 VAL A 16 -2.370 0.569 3.880 1.00 0.00 C ATOM 201 CG2 VAL A 16 -3.236 -1.003 2.109 1.00 0.00 C ATOM 0 H VAL A 16 -4.534 1.448 0.526 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.055 0.601 3.335 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.496 0.971 1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.402 0.073 3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.222 1.620 4.128 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.967 0.093 4.658 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.251 -1.468 2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.864 -1.535 2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.693 -1.049 1.121 1.00 0.00 H new ATOM 211 N GLU A 17 -4.437 2.772 4.376 1.00 0.00 N ATOM 212 CA GLU A 17 -4.371 4.101 4.960 1.00 0.00 C ATOM 213 C GLU A 17 -2.921 4.466 5.284 1.00 0.00 C ATOM 214 O GLU A 17 -2.045 3.603 5.283 1.00 0.00 O ATOM 215 CB GLU A 17 -5.252 4.196 6.207 1.00 0.00 C ATOM 216 CG GLU A 17 -6.332 5.266 6.035 1.00 0.00 C ATOM 217 CD GLU A 17 -6.929 5.665 7.386 1.00 0.00 C ATOM 218 OE1 GLU A 17 -7.869 4.964 7.820 1.00 0.00 O ATOM 219 OE2 GLU A 17 -6.433 6.661 7.955 1.00 0.00 O ATOM 0 H GLU A 17 -4.527 2.013 5.052 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.752 4.817 4.231 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.719 3.231 6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.636 4.432 7.075 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.906 6.143 5.549 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.120 4.891 5.382 1.00 0.00 H new ATOM 314 N LEU A 24 4.153 1.104 6.876 1.00 0.00 N ATOM 315 CA LEU A 24 2.915 0.624 6.286 1.00 0.00 C ATOM 316 C LEU A 24 2.368 -0.531 7.127 1.00 0.00 C ATOM 317 O LEU A 24 3.105 -1.147 7.896 1.00 0.00 O ATOM 318 CB LEU A 24 3.126 0.267 4.813 1.00 0.00 C ATOM 319 CG LEU A 24 2.550 1.252 3.794 1.00 0.00 C ATOM 320 CD1 LEU A 24 1.135 1.681 4.186 1.00 0.00 C ATOM 321 CD2 LEU A 24 3.481 2.452 3.605 1.00 0.00 C ATOM 0 HA LEU A 24 2.160 1.410 6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.197 0.173 4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.685 -0.713 4.631 1.00 0.00 H new ATOM 0 HG LEU A 24 2.478 0.745 2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.749 2.381 3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.488 0.805 4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.159 2.163 5.163 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.048 3.137 2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.607 2.968 4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.451 2.107 3.248 1.00 0.00 H new ATOM 333 N GLY A 25 1.081 -0.791 6.952 1.00 0.00 N ATOM 334 CA GLY A 25 0.427 -1.862 7.685 1.00 0.00 C ATOM 335 C GLY A 25 0.967 -3.228 7.258 1.00 0.00 C ATOM 336 O GLY A 25 0.643 -4.246 7.868 1.00 0.00 O ATOM 0 H GLY A 25 0.473 -0.278 6.313 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.583 -1.723 8.755 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.648 -1.822 7.512 1.00 0.00 H new ATOM 340 N PHE A 26 1.780 -3.207 6.212 1.00 0.00 N ATOM 341 CA PHE A 26 2.368 -4.431 5.695 1.00 0.00 C ATOM 342 C PHE A 26 3.874 -4.269 5.483 1.00 0.00 C ATOM 343 O PHE A 26 4.368 -3.152 5.340 1.00 0.00 O ATOM 344 CB PHE A 26 1.702 -4.713 4.347 1.00 0.00 C ATOM 345 CG PHE A 26 1.723 -3.525 3.382 1.00 0.00 C ATOM 346 CD1 PHE A 26 1.010 -2.403 3.669 1.00 0.00 C ATOM 347 CD2 PHE A 26 2.456 -3.592 2.238 1.00 0.00 C ATOM 348 CE1 PHE A 26 1.030 -1.301 2.773 1.00 0.00 C ATOM 349 CE2 PHE A 26 2.476 -2.490 1.343 1.00 0.00 C ATOM 350 CZ PHE A 26 1.763 -1.368 1.630 1.00 0.00 C ATOM 0 H PHE A 26 2.046 -2.361 5.708 1.00 0.00 H new ATOM 0 HA PHE A 26 2.214 -5.245 6.403 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.202 -5.559 3.876 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.667 -5.010 4.519 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.429 -2.350 4.578 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.022 -4.483 2.011 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.463 -0.410 3.000 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.057 -2.543 0.434 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.779 -0.530 0.949 1.00 0.00 H new ATOM 360 N SER A 27 4.562 -5.401 5.469 1.00 0.00 N ATOM 361 CA SER A 27 6.003 -5.399 5.276 1.00 0.00 C ATOM 362 C SER A 27 6.344 -5.920 3.878 1.00 0.00 C ATOM 363 O SER A 27 5.876 -6.984 3.477 1.00 0.00 O ATOM 364 CB SER A 27 6.702 -6.244 6.343 1.00 0.00 C ATOM 365 OG SER A 27 7.947 -5.676 6.742 1.00 0.00 O ATOM 0 H SER A 27 4.149 -6.326 5.588 1.00 0.00 H new ATOM 0 HA SER A 27 6.360 -4.374 5.372 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.052 -6.340 7.213 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.869 -7.250 5.957 1.00 0.00 H new ATOM 0 HG SER A 27 8.361 -6.243 7.425 1.00 0.00 H new ATOM 371 N VAL A 28 7.158 -5.145 3.176 1.00 0.00 N ATOM 372 CA VAL A 28 7.567 -5.514 1.832 1.00 0.00 C ATOM 373 C VAL A 28 9.051 -5.887 1.840 1.00 0.00 C ATOM 374 O VAL A 28 9.815 -5.390 2.666 1.00 0.00 O ATOM 375 CB VAL A 28 7.241 -4.383 0.855 1.00 0.00 C ATOM 376 CG1 VAL A 28 5.734 -4.294 0.603 1.00 0.00 C ATOM 377 CG2 VAL A 28 7.792 -3.047 1.359 1.00 0.00 C ATOM 0 H VAL A 28 7.545 -4.263 3.513 1.00 0.00 H new ATOM 0 HA VAL A 28 7.013 -6.389 1.492 1.00 0.00 H new ATOM 0 HB VAL A 28 7.727 -4.609 -0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.529 -3.482 -0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.380 -5.234 0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.218 -4.102 1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.546 -2.260 0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.348 -2.812 2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.875 -3.116 1.464 1.00 0.00 H new ATOM 387 N ARG A 29 9.414 -6.760 0.911 1.00 0.00 N ATOM 388 CA ARG A 29 10.793 -7.205 0.801 1.00 0.00 C ATOM 389 C ARG A 29 11.495 -6.478 -0.348 1.00 0.00 C ATOM 390 O ARG A 29 10.851 -6.060 -1.309 1.00 0.00 O ATOM 391 CB ARG A 29 10.867 -8.714 0.561 1.00 0.00 C ATOM 392 CG ARG A 29 10.116 -9.104 -0.714 1.00 0.00 C ATOM 393 CD ARG A 29 10.397 -10.560 -1.091 1.00 0.00 C ATOM 394 NE ARG A 29 10.136 -10.768 -2.533 1.00 0.00 N ATOM 395 CZ ARG A 29 10.895 -10.260 -3.515 1.00 0.00 C ATOM 396 NH1 ARG A 29 11.965 -9.512 -3.215 1.00 0.00 N ATOM 397 NH2 ARG A 29 10.583 -10.501 -4.795 1.00 0.00 N ATOM 0 H ARG A 29 8.777 -7.171 0.228 1.00 0.00 H new ATOM 0 HA ARG A 29 11.292 -6.973 1.742 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.909 -9.023 0.482 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.442 -9.243 1.414 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.045 -8.963 -0.568 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.415 -8.448 -1.532 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.432 -10.811 -0.860 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.768 -11.225 -0.499 1.00 0.00 H new ATOM 0 HE ARG A 29 9.329 -11.333 -2.796 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.202 -9.329 -2.240 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.543 -9.125 -3.962 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.768 -11.071 -5.023 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.160 -10.115 -5.542 1.00 0.00 H new ATOM 411 N GLY A 30 12.807 -6.350 -0.210 1.00 0.00 N ATOM 412 CA GLY A 30 13.604 -5.681 -1.225 1.00 0.00 C ATOM 413 C GLY A 30 13.520 -6.418 -2.562 1.00 0.00 C ATOM 414 O GLY A 30 13.565 -7.647 -2.602 1.00 0.00 O ATOM 0 H GLY A 30 13.338 -6.698 0.589 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.256 -4.656 -1.349 1.00 0.00 H new ATOM 0 HA3 GLY A 30 14.643 -5.628 -0.900 1.00 0.00 H new ATOM 494 N GLY A 37 10.104 -5.299 -8.942 1.00 0.00 N ATOM 495 CA GLY A 37 9.721 -4.063 -8.281 1.00 0.00 C ATOM 496 C GLY A 37 9.658 -4.249 -6.763 1.00 0.00 C ATOM 497 O GLY A 37 10.692 -4.334 -6.102 1.00 0.00 O ATOM 0 HA2 GLY A 37 10.437 -3.279 -8.525 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.750 -3.734 -8.651 1.00 0.00 H new ATOM 501 N ILE A 38 8.436 -4.307 -6.256 1.00 0.00 N ATOM 502 CA ILE A 38 8.225 -4.481 -4.829 1.00 0.00 C ATOM 503 C ILE A 38 7.345 -5.710 -4.594 1.00 0.00 C ATOM 504 O ILE A 38 6.482 -6.026 -5.413 1.00 0.00 O ATOM 505 CB ILE A 38 7.668 -3.198 -4.209 1.00 0.00 C ATOM 506 CG1 ILE A 38 8.557 -1.998 -4.541 1.00 0.00 C ATOM 507 CG2 ILE A 38 7.465 -3.361 -2.701 1.00 0.00 C ATOM 508 CD1 ILE A 38 9.932 -2.135 -3.884 1.00 0.00 C ATOM 0 H ILE A 38 7.581 -4.237 -6.808 1.00 0.00 H new ATOM 0 HA ILE A 38 9.173 -4.666 -4.324 1.00 0.00 H new ATOM 0 HB ILE A 38 6.689 -3.004 -4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.673 -1.915 -5.622 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.077 -1.080 -4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.068 -2.435 -2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.762 -4.173 -2.514 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.420 -3.592 -2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.544 -1.269 -4.136 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.814 -2.193 -2.802 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.419 -3.041 -4.245 1.00 0.00 H new ATOM 520 N PHE A 39 7.593 -6.371 -3.473 1.00 0.00 N ATOM 521 CA PHE A 39 6.834 -7.559 -3.121 1.00 0.00 C ATOM 522 C PHE A 39 6.477 -7.560 -1.633 1.00 0.00 C ATOM 523 O PHE A 39 7.211 -7.007 -0.815 1.00 0.00 O ATOM 524 CB PHE A 39 7.726 -8.765 -3.420 1.00 0.00 C ATOM 525 CG PHE A 39 7.630 -9.267 -4.862 1.00 0.00 C ATOM 526 CD1 PHE A 39 8.313 -8.629 -5.851 1.00 0.00 C ATOM 527 CD2 PHE A 39 6.863 -10.351 -5.156 1.00 0.00 C ATOM 528 CE1 PHE A 39 8.224 -9.094 -7.189 1.00 0.00 C ATOM 529 CE2 PHE A 39 6.774 -10.816 -6.495 1.00 0.00 C ATOM 530 CZ PHE A 39 7.457 -10.178 -7.483 1.00 0.00 C ATOM 0 H PHE A 39 8.309 -6.106 -2.796 1.00 0.00 H new ATOM 0 HA PHE A 39 5.905 -7.589 -3.690 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.762 -8.500 -3.206 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.459 -9.578 -2.745 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.923 -7.769 -5.618 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.322 -10.858 -4.371 1.00 0.00 H new ATOM 0 HE1 PHE A 39 8.765 -8.587 -7.974 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.164 -11.676 -6.729 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.390 -10.532 -8.501 1.00 0.00 H new ATOM 540 N VAL A 40 5.351 -8.188 -1.327 1.00 0.00 N ATOM 541 CA VAL A 40 4.888 -8.268 0.048 1.00 0.00 C ATOM 542 C VAL A 40 5.494 -9.505 0.714 1.00 0.00 C ATOM 543 O VAL A 40 5.626 -10.553 0.082 1.00 0.00 O ATOM 544 CB VAL A 40 3.359 -8.256 0.087 1.00 0.00 C ATOM 545 CG1 VAL A 40 2.848 -8.061 1.516 1.00 0.00 C ATOM 546 CG2 VAL A 40 2.795 -7.185 -0.848 1.00 0.00 C ATOM 0 H VAL A 40 4.746 -8.646 -2.008 1.00 0.00 H new ATOM 0 HA VAL A 40 5.220 -7.398 0.614 1.00 0.00 H new ATOM 0 HB VAL A 40 3.008 -9.226 -0.265 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.758 -8.056 1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.207 -8.876 2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.215 -7.112 1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.706 -7.198 -0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.160 -6.205 -0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.117 -7.388 -1.870 1.00 0.00 H new ATOM 556 N SER A 41 5.847 -9.343 1.980 1.00 0.00 N ATOM 557 CA SER A 41 6.436 -10.434 2.739 1.00 0.00 C ATOM 558 C SER A 41 5.601 -10.711 3.991 1.00 0.00 C ATOM 559 O SER A 41 5.352 -11.866 4.332 1.00 0.00 O ATOM 560 CB SER A 41 7.883 -10.119 3.124 1.00 0.00 C ATOM 561 OG SER A 41 8.046 -10.003 4.535 1.00 0.00 O ATOM 0 H SER A 41 5.737 -8.473 2.500 1.00 0.00 H new ATOM 0 HA SER A 41 6.442 -11.324 2.110 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.538 -10.904 2.747 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.191 -9.189 2.646 1.00 0.00 H new ATOM 0 HG SER A 41 8.983 -9.803 4.741 1.00 0.00 H new ATOM 567 N LYS A 42 5.192 -9.632 4.641 1.00 0.00 N ATOM 568 CA LYS A 42 4.390 -9.744 5.848 1.00 0.00 C ATOM 569 C LYS A 42 3.295 -8.677 5.829 1.00 0.00 C ATOM 570 O LYS A 42 3.448 -7.636 5.191 1.00 0.00 O ATOM 571 CB LYS A 42 5.282 -9.688 7.090 1.00 0.00 C ATOM 572 CG LYS A 42 4.475 -9.979 8.357 1.00 0.00 C ATOM 573 CD LYS A 42 4.150 -11.470 8.470 1.00 0.00 C ATOM 574 CE LYS A 42 2.872 -11.693 9.280 1.00 0.00 C ATOM 575 NZ LYS A 42 3.069 -11.275 10.686 1.00 0.00 N ATOM 0 H LYS A 42 5.401 -8.675 4.355 1.00 0.00 H new ATOM 0 HA LYS A 42 3.891 -10.712 5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.090 -10.413 6.995 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.744 -8.704 7.167 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.039 -9.659 9.233 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.551 -9.402 8.344 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.032 -11.897 7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.981 -11.992 8.944 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.051 -11.128 8.838 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.590 -12.745 9.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.215 -11.496 11.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.882 -11.784 11.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.249 -10.251 10.722 1.00 0.00 H new ATOM 589 N VAL A 43 2.213 -8.972 6.535 1.00 0.00 N ATOM 590 CA VAL A 43 1.092 -8.050 6.606 1.00 0.00 C ATOM 591 C VAL A 43 0.582 -7.986 8.048 1.00 0.00 C ATOM 592 O VAL A 43 -0.096 -8.901 8.512 1.00 0.00 O ATOM 593 CB VAL A 43 0.009 -8.464 5.608 1.00 0.00 C ATOM 594 CG1 VAL A 43 -1.298 -7.716 5.875 1.00 0.00 C ATOM 595 CG2 VAL A 43 0.480 -8.249 4.168 1.00 0.00 C ATOM 0 H VAL A 43 2.089 -9.836 7.063 1.00 0.00 H new ATOM 0 HA VAL A 43 1.406 -7.045 6.326 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.182 -9.529 5.743 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.051 -8.029 5.151 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.647 -7.942 6.883 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.129 -6.643 5.782 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.308 -8.551 3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.712 -7.195 4.015 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.372 -8.848 3.984 1.00 0.00 H new ATOM 605 N GLU A 44 0.928 -6.895 8.715 1.00 0.00 N ATOM 606 CA GLU A 44 0.514 -6.699 10.094 1.00 0.00 C ATOM 607 C GLU A 44 -0.974 -7.018 10.252 1.00 0.00 C ATOM 608 O GLU A 44 -1.802 -6.526 9.488 1.00 0.00 O ATOM 609 CB GLU A 44 0.822 -5.275 10.562 1.00 0.00 C ATOM 610 CG GLU A 44 1.510 -5.283 11.929 1.00 0.00 C ATOM 611 CD GLU A 44 1.183 -4.013 12.715 1.00 0.00 C ATOM 612 OE1 GLU A 44 1.254 -2.929 12.098 1.00 0.00 O ATOM 613 OE2 GLU A 44 0.868 -4.155 13.917 1.00 0.00 O ATOM 0 H GLU A 44 1.490 -6.138 8.326 1.00 0.00 H new ATOM 0 HA GLU A 44 1.081 -7.384 10.724 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.462 -4.779 9.832 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.102 -4.700 10.619 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.191 -6.158 12.496 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.589 -5.365 11.797 1.00 0.00 H new ATOM 620 N GLU A 45 -1.267 -7.839 11.250 1.00 0.00 N ATOM 621 CA GLU A 45 -2.641 -8.230 11.518 1.00 0.00 C ATOM 622 C GLU A 45 -3.431 -7.044 12.074 1.00 0.00 C ATOM 623 O GLU A 45 -2.846 -6.051 12.506 1.00 0.00 O ATOM 624 CB GLU A 45 -2.695 -9.422 12.475 1.00 0.00 C ATOM 625 CG GLU A 45 -2.596 -8.962 13.931 1.00 0.00 C ATOM 626 CD GLU A 45 -2.229 -10.128 14.851 1.00 0.00 C ATOM 627 OE1 GLU A 45 -2.611 -11.266 14.504 1.00 0.00 O ATOM 628 OE2 GLU A 45 -1.575 -9.854 15.880 1.00 0.00 O ATOM 0 H GLU A 45 -0.577 -8.244 11.883 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.100 -8.539 10.579 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.625 -9.971 12.326 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.880 -10.110 12.251 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.846 -8.176 14.017 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.547 -8.531 14.245 1.00 0.00 H new ATOM 635 N GLY A 46 -4.748 -7.186 12.046 1.00 0.00 N ATOM 636 CA GLY A 46 -5.625 -6.138 12.542 1.00 0.00 C ATOM 637 C GLY A 46 -5.127 -4.757 12.110 1.00 0.00 C ATOM 638 O GLY A 46 -5.326 -3.772 12.820 1.00 0.00 O ATOM 0 H GLY A 46 -5.229 -8.011 11.688 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.636 -6.297 12.168 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.676 -6.186 13.630 1.00 0.00 H new ATOM 642 N SER A 47 -4.491 -4.729 10.948 1.00 0.00 N ATOM 643 CA SER A 47 -3.964 -3.485 10.414 1.00 0.00 C ATOM 644 C SER A 47 -4.852 -2.989 9.271 1.00 0.00 C ATOM 645 O SER A 47 -5.869 -3.606 8.957 1.00 0.00 O ATOM 646 CB SER A 47 -2.523 -3.661 9.929 1.00 0.00 C ATOM 647 OG SER A 47 -2.449 -3.786 8.511 1.00 0.00 O ATOM 0 H SER A 47 -4.329 -5.548 10.362 1.00 0.00 H new ATOM 0 HA SER A 47 -3.962 -2.743 11.212 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.926 -2.807 10.249 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.089 -4.546 10.394 1.00 0.00 H new ATOM 0 HG SER A 47 -2.197 -4.704 8.276 1.00 0.00 H new ATOM 653 N SER A 48 -4.436 -1.879 8.679 1.00 0.00 N ATOM 654 CA SER A 48 -5.180 -1.293 7.578 1.00 0.00 C ATOM 655 C SER A 48 -4.988 -2.131 6.312 1.00 0.00 C ATOM 656 O SER A 48 -5.908 -2.266 5.507 1.00 0.00 O ATOM 657 CB SER A 48 -4.748 0.153 7.328 1.00 0.00 C ATOM 658 OG SER A 48 -5.818 1.072 7.529 1.00 0.00 O ATOM 0 H SER A 48 -3.592 -1.370 8.942 1.00 0.00 H new ATOM 0 HA SER A 48 -6.237 -1.286 7.845 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.923 0.405 7.995 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.375 0.249 6.308 1.00 0.00 H new ATOM 0 HG SER A 48 -5.521 1.796 8.119 1.00 0.00 H new ATOM 664 N ALA A 49 -3.786 -2.671 6.175 1.00 0.00 N ATOM 665 CA ALA A 49 -3.461 -3.491 5.021 1.00 0.00 C ATOM 666 C ALA A 49 -4.301 -4.770 5.057 1.00 0.00 C ATOM 667 O ALA A 49 -5.159 -4.978 4.200 1.00 0.00 O ATOM 668 CB ALA A 49 -1.959 -3.781 5.006 1.00 0.00 C ATOM 0 H ALA A 49 -3.025 -2.556 6.845 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.700 -2.964 4.097 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.716 -4.396 4.140 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.408 -2.842 4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.682 -4.311 5.917 1.00 0.00 H new ATOM 674 N GLU A 50 -4.024 -5.594 6.057 1.00 0.00 N ATOM 675 CA GLU A 50 -4.743 -6.846 6.216 1.00 0.00 C ATOM 676 C GLU A 50 -6.244 -6.625 6.018 1.00 0.00 C ATOM 677 O GLU A 50 -6.950 -7.517 5.550 1.00 0.00 O ATOM 678 CB GLU A 50 -4.456 -7.474 7.582 1.00 0.00 C ATOM 679 CG GLU A 50 -4.031 -8.936 7.435 1.00 0.00 C ATOM 680 CD GLU A 50 -4.951 -9.858 8.238 1.00 0.00 C ATOM 681 OE1 GLU A 50 -4.827 -9.840 9.481 1.00 0.00 O ATOM 682 OE2 GLU A 50 -5.757 -10.560 7.589 1.00 0.00 O ATOM 0 H GLU A 50 -3.311 -5.419 6.765 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.395 -7.542 5.453 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.670 -6.912 8.087 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.345 -7.411 8.209 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.053 -9.221 6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.003 -9.056 7.776 1.00 0.00 H new ATOM 689 N ARG A 51 -6.688 -5.432 6.385 1.00 0.00 N ATOM 690 CA ARG A 51 -8.092 -5.083 6.254 1.00 0.00 C ATOM 691 C ARG A 51 -8.381 -4.565 4.844 1.00 0.00 C ATOM 692 O ARG A 51 -9.454 -4.812 4.295 1.00 0.00 O ATOM 693 CB ARG A 51 -8.491 -4.014 7.274 1.00 0.00 C ATOM 694 CG ARG A 51 -8.798 -4.643 8.635 1.00 0.00 C ATOM 695 CD ARG A 51 -9.964 -3.926 9.319 1.00 0.00 C ATOM 696 NE ARG A 51 -9.504 -3.302 10.580 1.00 0.00 N ATOM 697 CZ ARG A 51 -10.290 -2.583 11.393 1.00 0.00 C ATOM 698 NH1 ARG A 51 -11.580 -2.393 11.082 1.00 0.00 N ATOM 699 NH2 ARG A 51 -9.787 -2.055 12.517 1.00 0.00 N ATOM 0 H ARG A 51 -6.100 -4.695 6.773 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.676 -5.984 6.441 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.685 -3.287 7.379 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.365 -3.471 6.914 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.040 -5.698 8.506 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.913 -4.594 9.270 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.374 -3.165 8.655 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.767 -4.634 9.525 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.528 -3.427 10.847 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.963 -2.796 10.227 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.179 -1.846 11.701 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.806 -2.200 12.754 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.385 -1.508 13.136 1.00 0.00 H new ATOM 713 N ALA A 52 -7.404 -3.856 4.297 1.00 0.00 N ATOM 714 CA ALA A 52 -7.540 -3.302 2.960 1.00 0.00 C ATOM 715 C ALA A 52 -7.662 -4.443 1.949 1.00 0.00 C ATOM 716 O ALA A 52 -8.192 -4.254 0.855 1.00 0.00 O ATOM 717 CB ALA A 52 -6.350 -2.386 2.665 1.00 0.00 C ATOM 0 H ALA A 52 -6.516 -3.653 4.755 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.444 -2.698 2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.451 -1.970 1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.325 -1.576 3.393 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.425 -2.959 2.729 1.00 0.00 H new ATOM 723 N GLY A 53 -7.163 -5.603 2.351 1.00 0.00 N ATOM 724 CA GLY A 53 -7.210 -6.775 1.493 1.00 0.00 C ATOM 725 C GLY A 53 -5.802 -7.295 1.197 1.00 0.00 C ATOM 726 O GLY A 53 -5.641 -8.388 0.657 1.00 0.00 O ATOM 0 H GLY A 53 -6.724 -5.756 3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.797 -7.558 1.973 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.713 -6.526 0.559 1.00 0.00 H new ATOM 730 N LEU A 54 -4.818 -6.486 1.563 1.00 0.00 N ATOM 731 CA LEU A 54 -3.429 -6.851 1.344 1.00 0.00 C ATOM 732 C LEU A 54 -3.026 -7.933 2.347 1.00 0.00 C ATOM 733 O LEU A 54 -3.191 -7.758 3.554 1.00 0.00 O ATOM 734 CB LEU A 54 -2.536 -5.609 1.386 1.00 0.00 C ATOM 735 CG LEU A 54 -1.089 -5.808 0.933 1.00 0.00 C ATOM 736 CD1 LEU A 54 -0.986 -5.801 -0.594 1.00 0.00 C ATOM 737 CD2 LEU A 54 -0.166 -4.770 1.574 1.00 0.00 C ATOM 0 H LEU A 54 -4.956 -5.579 2.010 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.299 -7.275 0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.989 -4.839 0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.527 -5.227 2.407 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.757 -6.789 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.053 -5.944 -0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.594 -6.608 -1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.344 -4.846 -0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.857 -4.934 1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.488 -3.769 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.209 -4.866 2.659 1.00 0.00 H new ATOM 749 N CYS A 55 -2.504 -9.027 1.812 1.00 0.00 N ATOM 750 CA CYS A 55 -2.076 -10.137 2.646 1.00 0.00 C ATOM 751 C CYS A 55 -0.690 -10.584 2.176 1.00 0.00 C ATOM 752 O CYS A 55 -0.097 -9.960 1.297 1.00 0.00 O ATOM 753 CB CYS A 55 -3.085 -11.286 2.620 1.00 0.00 C ATOM 754 SG CYS A 55 -3.282 -11.984 4.300 1.00 0.00 S ATOM 0 H CYS A 55 -2.368 -9.168 0.811 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.020 -9.814 3.685 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.046 -10.928 2.251 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.748 -12.062 1.932 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.143 -12.958 4.267 1.00 0.00 H new ATOM 760 N VAL A 56 -0.213 -11.661 2.782 1.00 0.00 N ATOM 761 CA VAL A 56 1.091 -12.199 2.437 1.00 0.00 C ATOM 762 C VAL A 56 0.975 -13.025 1.154 1.00 0.00 C ATOM 763 O VAL A 56 -0.002 -13.749 0.964 1.00 0.00 O ATOM 764 CB VAL A 56 1.657 -12.998 3.613 1.00 0.00 C ATOM 765 CG1 VAL A 56 2.700 -14.010 3.137 1.00 0.00 C ATOM 766 CG2 VAL A 56 2.240 -12.067 4.678 1.00 0.00 C ATOM 0 H VAL A 56 -0.707 -12.176 3.511 1.00 0.00 H new ATOM 0 HA VAL A 56 1.796 -11.391 2.241 1.00 0.00 H new ATOM 0 HB VAL A 56 0.836 -13.553 4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.086 -14.564 3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.240 -14.703 2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.519 -13.485 2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.635 -12.660 5.503 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.042 -11.472 4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.458 -11.405 5.050 1.00 0.00 H new ATOM 776 N GLY A 57 1.984 -12.890 0.307 1.00 0.00 N ATOM 777 CA GLY A 57 2.007 -13.615 -0.952 1.00 0.00 C ATOM 778 C GLY A 57 1.454 -12.755 -2.090 1.00 0.00 C ATOM 779 O GLY A 57 0.818 -13.269 -3.009 1.00 0.00 O ATOM 0 H GLY A 57 2.792 -12.289 0.468 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.028 -13.917 -1.183 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.417 -14.527 -0.861 1.00 0.00 H new ATOM 783 N ASP A 58 1.716 -11.460 -1.991 1.00 0.00 N ATOM 784 CA ASP A 58 1.252 -10.524 -3.001 1.00 0.00 C ATOM 785 C ASP A 58 2.459 -9.875 -3.682 1.00 0.00 C ATOM 786 O ASP A 58 3.545 -9.820 -3.108 1.00 0.00 O ATOM 787 CB ASP A 58 0.409 -9.411 -2.375 1.00 0.00 C ATOM 788 CG ASP A 58 -1.050 -9.782 -2.101 1.00 0.00 C ATOM 789 OD1 ASP A 58 -1.298 -10.987 -1.881 1.00 0.00 O ATOM 790 OD2 ASP A 58 -1.885 -8.851 -2.118 1.00 0.00 O ATOM 0 H ASP A 58 2.243 -11.037 -1.227 1.00 0.00 H new ATOM 0 HA ASP A 58 0.645 -11.076 -3.719 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.874 -9.108 -1.437 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.430 -8.544 -3.036 1.00 0.00 H new ATOM 795 N LYS A 59 2.228 -9.401 -4.898 1.00 0.00 N ATOM 796 CA LYS A 59 3.283 -8.759 -5.663 1.00 0.00 C ATOM 797 C LYS A 59 2.780 -7.411 -6.185 1.00 0.00 C ATOM 798 O LYS A 59 2.101 -7.352 -7.209 1.00 0.00 O ATOM 799 CB LYS A 59 3.792 -9.693 -6.763 1.00 0.00 C ATOM 800 CG LYS A 59 4.578 -8.917 -7.821 1.00 0.00 C ATOM 801 CD LYS A 59 4.762 -9.753 -9.090 1.00 0.00 C ATOM 802 CE LYS A 59 3.418 -10.273 -9.603 1.00 0.00 C ATOM 803 NZ LYS A 59 3.414 -10.331 -11.082 1.00 0.00 N ATOM 0 H LYS A 59 1.326 -9.449 -5.372 1.00 0.00 H new ATOM 0 HA LYS A 59 4.144 -8.554 -5.027 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.427 -10.464 -6.326 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.950 -10.202 -7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.054 -7.992 -8.063 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.553 -8.636 -7.422 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.241 -9.150 -9.861 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.426 -10.592 -8.884 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.225 -11.265 -9.194 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.614 -9.624 -9.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.494 -10.686 -11.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.576 -9.379 -11.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.168 -10.969 -11.406 1.00 0.00 H new ATOM 817 N ILE A 60 3.134 -6.362 -5.458 1.00 0.00 N ATOM 818 CA ILE A 60 2.727 -5.019 -5.834 1.00 0.00 C ATOM 819 C ILE A 60 3.516 -4.580 -7.070 1.00 0.00 C ATOM 820 O ILE A 60 4.734 -4.421 -7.009 1.00 0.00 O ATOM 821 CB ILE A 60 2.864 -4.065 -4.646 1.00 0.00 C ATOM 822 CG1 ILE A 60 1.962 -4.498 -3.489 1.00 0.00 C ATOM 823 CG2 ILE A 60 2.598 -2.619 -5.071 1.00 0.00 C ATOM 824 CD1 ILE A 60 2.698 -4.394 -2.151 1.00 0.00 C ATOM 0 H ILE A 60 3.698 -6.415 -4.610 1.00 0.00 H new ATOM 0 HA ILE A 60 1.672 -5.002 -6.106 1.00 0.00 H new ATOM 0 HB ILE A 60 3.892 -4.111 -4.287 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.069 -3.874 -3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.630 -5.524 -3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.702 -1.961 -4.208 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.315 -2.327 -5.838 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.587 -2.537 -5.470 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.034 -4.708 -1.345 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.577 -5.038 -2.168 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.007 -3.362 -1.985 1.00 0.00 H new ATOM 836 N THR A 61 2.789 -4.396 -8.162 1.00 0.00 N ATOM 837 CA THR A 61 3.405 -3.978 -9.410 1.00 0.00 C ATOM 838 C THR A 61 3.258 -2.467 -9.597 1.00 0.00 C ATOM 839 O THR A 61 4.128 -1.822 -10.182 1.00 0.00 O ATOM 840 CB THR A 61 2.780 -4.795 -10.542 1.00 0.00 C ATOM 841 OG1 THR A 61 1.516 -4.174 -10.761 1.00 0.00 O ATOM 842 CG2 THR A 61 2.426 -6.219 -10.111 1.00 0.00 C ATOM 0 H THR A 61 1.779 -4.529 -8.209 1.00 0.00 H new ATOM 0 HA THR A 61 4.478 -4.170 -9.406 1.00 0.00 H new ATOM 0 HB THR A 61 3.469 -4.833 -11.385 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.942 -4.315 -9.979 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.986 -6.755 -10.952 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.329 -6.735 -9.784 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.711 -6.183 -9.289 1.00 0.00 H new ATOM 850 N GLU A 62 2.151 -1.945 -9.090 1.00 0.00 N ATOM 851 CA GLU A 62 1.879 -0.521 -9.195 1.00 0.00 C ATOM 852 C GLU A 62 1.113 -0.036 -7.962 1.00 0.00 C ATOM 853 O GLU A 62 0.422 -0.816 -7.309 1.00 0.00 O ATOM 854 CB GLU A 62 1.109 -0.203 -10.478 1.00 0.00 C ATOM 855 CG GLU A 62 0.468 1.184 -10.404 1.00 0.00 C ATOM 856 CD GLU A 62 -0.331 1.488 -11.673 1.00 0.00 C ATOM 857 OE1 GLU A 62 0.321 1.666 -12.724 1.00 0.00 O ATOM 858 OE2 GLU A 62 -1.575 1.535 -11.563 1.00 0.00 O ATOM 0 H GLU A 62 1.432 -2.482 -8.605 1.00 0.00 H new ATOM 0 HA GLU A 62 2.830 0.009 -9.241 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.784 -0.250 -11.333 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.337 -0.956 -10.639 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.188 1.239 -9.535 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.242 1.939 -10.268 1.00 0.00 H new ATOM 865 N VAL A 63 1.261 1.251 -7.682 1.00 0.00 N ATOM 866 CA VAL A 63 0.593 1.850 -6.540 1.00 0.00 C ATOM 867 C VAL A 63 0.183 3.282 -6.887 1.00 0.00 C ATOM 868 O VAL A 63 0.872 3.962 -7.646 1.00 0.00 O ATOM 869 CB VAL A 63 1.492 1.769 -5.305 1.00 0.00 C ATOM 870 CG1 VAL A 63 0.746 2.229 -4.051 1.00 0.00 C ATOM 871 CG2 VAL A 63 2.049 0.355 -5.124 1.00 0.00 C ATOM 0 H VAL A 63 1.834 1.895 -8.227 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.317 1.300 -6.300 1.00 0.00 H new ATOM 0 HB VAL A 63 2.334 2.444 -5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.408 2.161 -3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.421 3.262 -4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.124 1.592 -3.891 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.685 0.325 -4.239 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.225 -0.348 -5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.635 0.080 -6.001 1.00 0.00 H new ATOM 881 N ASN A 64 -0.938 3.699 -6.316 1.00 0.00 N ATOM 882 CA ASN A 64 -1.448 5.038 -6.556 1.00 0.00 C ATOM 883 C ASN A 64 -1.233 5.405 -8.026 1.00 0.00 C ATOM 884 O ASN A 64 -1.041 6.574 -8.356 1.00 0.00 O ATOM 885 CB ASN A 64 -0.711 6.069 -5.699 1.00 0.00 C ATOM 886 CG ASN A 64 -1.700 6.950 -4.931 1.00 0.00 C ATOM 887 OD1 ASN A 64 -2.445 7.731 -5.498 1.00 0.00 O ATOM 888 ND2 ASN A 64 -1.664 6.780 -3.612 1.00 0.00 N ATOM 0 H ASN A 64 -1.507 3.132 -5.687 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.507 5.047 -6.300 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.051 5.559 -4.997 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -0.081 6.692 -6.334 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.285 7.321 -3.011 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.015 6.108 -3.202 1.00 0.00 H new ATOM 895 N GLY A 65 -1.272 4.384 -8.869 1.00 0.00 N ATOM 896 CA GLY A 65 -1.084 4.584 -10.296 1.00 0.00 C ATOM 897 C GLY A 65 0.395 4.483 -10.674 1.00 0.00 C ATOM 898 O GLY A 65 0.742 3.866 -11.680 1.00 0.00 O ATOM 0 H GLY A 65 -1.431 3.415 -8.591 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.656 3.839 -10.850 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.471 5.562 -10.584 1.00 0.00 H new ATOM 902 N LEU A 66 1.228 5.097 -9.846 1.00 0.00 N ATOM 903 CA LEU A 66 2.662 5.084 -10.081 1.00 0.00 C ATOM 904 C LEU A 66 3.138 3.636 -10.218 1.00 0.00 C ATOM 905 O LEU A 66 2.993 2.840 -9.292 1.00 0.00 O ATOM 906 CB LEU A 66 3.391 5.870 -8.989 1.00 0.00 C ATOM 907 CG LEU A 66 3.537 7.374 -9.229 1.00 0.00 C ATOM 908 CD1 LEU A 66 4.889 7.698 -9.867 1.00 0.00 C ATOM 909 CD2 LEU A 66 2.369 7.913 -10.057 1.00 0.00 C ATOM 0 H LEU A 66 0.937 5.607 -9.012 1.00 0.00 H new ATOM 0 HA LEU A 66 2.900 5.589 -11.017 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.862 5.722 -8.048 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.386 5.444 -8.865 1.00 0.00 H new ATOM 0 HG LEU A 66 3.507 7.879 -8.263 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.967 8.773 -10.027 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.691 7.370 -9.206 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.973 7.182 -10.823 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.497 8.984 -10.213 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.343 7.406 -11.022 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.434 7.733 -9.527 1.00 0.00 H new ATOM 921 N SER A 67 3.697 3.339 -11.382 1.00 0.00 N ATOM 922 CA SER A 67 4.196 2.002 -11.653 1.00 0.00 C ATOM 923 C SER A 67 5.476 1.748 -10.854 1.00 0.00 C ATOM 924 O SER A 67 6.417 2.538 -10.915 1.00 0.00 O ATOM 925 CB SER A 67 4.456 1.803 -13.148 1.00 0.00 C ATOM 926 OG SER A 67 5.273 0.663 -13.401 1.00 0.00 O ATOM 0 H SER A 67 3.815 4.002 -12.148 1.00 0.00 H new ATOM 0 HA SER A 67 3.435 1.285 -11.345 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.505 1.691 -13.669 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.939 2.692 -13.553 1.00 0.00 H new ATOM 0 HG SER A 67 5.414 0.570 -14.366 1.00 0.00 H new ATOM 932 N LEU A 68 5.470 0.643 -10.123 1.00 0.00 N ATOM 933 CA LEU A 68 6.618 0.276 -9.312 1.00 0.00 C ATOM 934 C LEU A 68 7.204 -1.039 -9.831 1.00 0.00 C ATOM 935 O LEU A 68 7.737 -1.833 -9.058 1.00 0.00 O ATOM 936 CB LEU A 68 6.238 0.237 -7.831 1.00 0.00 C ATOM 937 CG LEU A 68 5.386 1.404 -7.326 1.00 0.00 C ATOM 938 CD1 LEU A 68 5.353 1.437 -5.797 1.00 0.00 C ATOM 939 CD2 LEU A 68 5.867 2.730 -7.918 1.00 0.00 C ATOM 0 H LEU A 68 4.688 -0.010 -10.076 1.00 0.00 H new ATOM 0 HA LEU A 68 7.400 1.030 -9.397 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.699 -0.691 -7.639 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.154 0.201 -7.242 1.00 0.00 H new ATOM 0 HG LEU A 68 4.362 1.252 -7.667 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.741 2.275 -5.464 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.928 0.506 -5.422 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.367 1.553 -5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.245 3.543 -7.543 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.903 2.903 -7.628 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.796 2.690 -9.005 1.00 0.00 H new ATOM 951 N GLU A 69 7.085 -1.228 -11.137 1.00 0.00 N ATOM 952 CA GLU A 69 7.596 -2.432 -11.769 1.00 0.00 C ATOM 953 C GLU A 69 9.124 -2.393 -11.829 1.00 0.00 C ATOM 954 O GLU A 69 9.781 -3.426 -11.708 1.00 0.00 O ATOM 955 CB GLU A 69 6.997 -2.616 -13.164 1.00 0.00 C ATOM 956 CG GLU A 69 5.857 -3.637 -13.142 1.00 0.00 C ATOM 957 CD GLU A 69 5.857 -4.487 -14.414 1.00 0.00 C ATOM 958 OE1 GLU A 69 6.970 -4.831 -14.867 1.00 0.00 O ATOM 959 OE2 GLU A 69 4.744 -4.774 -14.905 1.00 0.00 O ATOM 0 H GLU A 69 6.642 -0.567 -11.775 1.00 0.00 H new ATOM 0 HA GLU A 69 7.298 -3.289 -11.166 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.626 -1.660 -13.533 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.772 -2.946 -13.856 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.959 -4.282 -12.269 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.902 -3.120 -13.046 1.00 0.00 H new ATOM 966 N SER A 70 9.646 -1.189 -12.017 1.00 0.00 N ATOM 967 CA SER A 70 11.085 -1.001 -12.094 1.00 0.00 C ATOM 968 C SER A 70 11.509 0.170 -11.206 1.00 0.00 C ATOM 969 O SER A 70 12.278 1.030 -11.631 1.00 0.00 O ATOM 970 CB SER A 70 11.532 -0.761 -13.538 1.00 0.00 C ATOM 971 OG SER A 70 10.875 0.362 -14.120 1.00 0.00 O ATOM 0 H SER A 70 9.098 -0.335 -12.118 1.00 0.00 H new ATOM 0 HA SER A 70 11.568 -1.911 -11.738 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.610 -0.603 -13.562 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.327 -1.650 -14.134 1.00 0.00 H new ATOM 0 HG SER A 70 11.188 0.483 -15.041 1.00 0.00 H new ATOM 977 N THR A 71 10.988 0.165 -9.987 1.00 0.00 N ATOM 978 CA THR A 71 11.303 1.216 -9.035 1.00 0.00 C ATOM 979 C THR A 71 11.875 0.616 -7.748 1.00 0.00 C ATOM 980 O THR A 71 11.504 -0.489 -7.356 1.00 0.00 O ATOM 981 CB THR A 71 10.037 2.044 -8.809 1.00 0.00 C ATOM 982 OG1 THR A 71 9.935 2.849 -9.980 1.00 0.00 O ATOM 983 CG2 THR A 71 10.194 3.057 -7.673 1.00 0.00 C ATOM 0 H THR A 71 10.350 -0.550 -9.638 1.00 0.00 H new ATOM 0 HA THR A 71 12.078 1.879 -9.420 1.00 0.00 H new ATOM 0 HB THR A 71 9.203 1.378 -8.588 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.139 3.417 -9.918 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.267 3.618 -7.555 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.421 2.531 -6.745 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.006 3.744 -7.908 1.00 0.00 H new ATOM 991 N THR A 72 12.768 1.372 -7.127 1.00 0.00 N ATOM 992 CA THR A 72 13.394 0.929 -5.893 1.00 0.00 C ATOM 993 C THR A 72 12.370 0.898 -4.757 1.00 0.00 C ATOM 994 O THR A 72 11.178 1.092 -4.986 1.00 0.00 O ATOM 995 CB THR A 72 14.586 1.847 -5.612 1.00 0.00 C ATOM 996 OG1 THR A 72 15.264 1.214 -4.530 1.00 0.00 O ATOM 997 CG2 THR A 72 14.161 3.202 -5.044 1.00 0.00 C ATOM 0 H THR A 72 13.073 2.288 -7.455 1.00 0.00 H new ATOM 0 HA THR A 72 13.765 -0.092 -5.982 1.00 0.00 H new ATOM 0 HB THR A 72 15.150 2.000 -6.532 1.00 0.00 H new ATOM 0 HG1 THR A 72 16.052 1.742 -4.284 1.00 0.00 H new ATOM 0 HG21 THR A 72 15.045 3.814 -4.863 1.00 0.00 H new ATOM 0 HG22 THR A 72 13.510 3.707 -5.757 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.625 3.052 -4.107 1.00 0.00 H new ATOM 1005 N MET A 73 12.874 0.652 -3.556 1.00 0.00 N ATOM 1006 CA MET A 73 12.018 0.593 -2.383 1.00 0.00 C ATOM 1007 C MET A 73 11.793 1.989 -1.798 1.00 0.00 C ATOM 1008 O MET A 73 10.655 2.439 -1.676 1.00 0.00 O ATOM 1009 CB MET A 73 12.661 -0.307 -1.327 1.00 0.00 C ATOM 1010 CG MET A 73 11.685 -0.595 -0.184 1.00 0.00 C ATOM 1011 SD MET A 73 12.058 -2.177 0.553 1.00 0.00 S ATOM 1012 CE MET A 73 10.713 -3.150 -0.103 1.00 0.00 C ATOM 0 H MET A 73 13.864 0.491 -3.370 1.00 0.00 H new ATOM 0 HA MET A 73 11.052 0.185 -2.681 1.00 0.00 H new ATOM 0 HB2 MET A 73 12.976 -1.244 -1.786 1.00 0.00 H new ATOM 0 HB3 MET A 73 13.557 0.172 -0.933 1.00 0.00 H new ATOM 0 HG2 MET A 73 11.751 0.191 0.569 1.00 0.00 H new ATOM 0 HG3 MET A 73 10.662 -0.592 -0.559 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.517 -3.994 0.559 1.00 0.00 H new ATOM 0 HE2 MET A 73 9.819 -2.531 -0.177 1.00 0.00 H new ATOM 0 HE3 MET A 73 10.981 -3.520 -1.093 1.00 0.00 H new ATOM 1022 N GLY A 74 12.897 2.634 -1.450 1.00 0.00 N ATOM 1023 CA GLY A 74 12.835 3.969 -0.880 1.00 0.00 C ATOM 1024 C GLY A 74 11.790 4.825 -1.599 1.00 0.00 C ATOM 1025 O GLY A 74 10.771 5.188 -1.014 1.00 0.00 O ATOM 0 H GLY A 74 13.839 2.257 -1.552 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.590 3.904 0.180 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.813 4.445 -0.953 1.00 0.00 H new ATOM 1029 N SER A 75 12.079 5.121 -2.857 1.00 0.00 N ATOM 1030 CA SER A 75 11.177 5.927 -3.663 1.00 0.00 C ATOM 1031 C SER A 75 9.735 5.454 -3.465 1.00 0.00 C ATOM 1032 O SER A 75 8.844 6.261 -3.203 1.00 0.00 O ATOM 1033 CB SER A 75 11.557 5.866 -5.143 1.00 0.00 C ATOM 1034 OG SER A 75 11.695 7.165 -5.713 1.00 0.00 O ATOM 0 H SER A 75 12.925 4.817 -3.339 1.00 0.00 H new ATOM 0 HA SER A 75 11.261 6.964 -3.337 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.494 5.320 -5.255 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.796 5.309 -5.690 1.00 0.00 H new ATOM 0 HG SER A 75 11.940 7.083 -6.658 1.00 0.00 H new ATOM 1040 N ALA A 76 9.551 4.149 -3.597 1.00 0.00 N ATOM 1041 CA ALA A 76 8.233 3.559 -3.436 1.00 0.00 C ATOM 1042 C ALA A 76 7.688 3.910 -2.050 1.00 0.00 C ATOM 1043 O ALA A 76 6.509 4.231 -1.905 1.00 0.00 O ATOM 1044 CB ALA A 76 8.317 2.049 -3.664 1.00 0.00 C ATOM 0 H ALA A 76 10.293 3.483 -3.814 1.00 0.00 H new ATOM 0 HA ALA A 76 7.540 3.961 -4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.328 1.607 -3.543 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.681 1.853 -4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.002 1.609 -2.939 1.00 0.00 H new ATOM 1050 N VAL A 77 8.572 3.837 -1.066 1.00 0.00 N ATOM 1051 CA VAL A 77 8.194 4.142 0.304 1.00 0.00 C ATOM 1052 C VAL A 77 7.881 5.635 0.421 1.00 0.00 C ATOM 1053 O VAL A 77 6.823 6.014 0.921 1.00 0.00 O ATOM 1054 CB VAL A 77 9.294 3.686 1.264 1.00 0.00 C ATOM 1055 CG1 VAL A 77 9.008 4.160 2.690 1.00 0.00 C ATOM 1056 CG2 VAL A 77 9.468 2.166 1.216 1.00 0.00 C ATOM 0 H VAL A 77 9.549 3.571 -1.190 1.00 0.00 H new ATOM 0 HA VAL A 77 7.292 3.597 0.582 1.00 0.00 H new ATOM 0 HB VAL A 77 10.230 4.141 0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.805 3.822 3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.958 5.249 2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.057 3.747 3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.256 1.868 1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.533 1.684 1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.739 1.863 0.205 1.00 0.00 H new ATOM 1066 N LYS A 78 8.819 6.443 -0.050 1.00 0.00 N ATOM 1067 CA LYS A 78 8.656 7.886 -0.005 1.00 0.00 C ATOM 1068 C LYS A 78 7.259 8.254 -0.509 1.00 0.00 C ATOM 1069 O LYS A 78 6.673 9.238 -0.061 1.00 0.00 O ATOM 1070 CB LYS A 78 9.787 8.578 -0.769 1.00 0.00 C ATOM 1071 CG LYS A 78 10.536 9.562 0.132 1.00 0.00 C ATOM 1072 CD LYS A 78 11.367 10.542 -0.699 1.00 0.00 C ATOM 1073 CE LYS A 78 11.931 11.663 0.178 1.00 0.00 C ATOM 1074 NZ LYS A 78 12.787 12.566 -0.623 1.00 0.00 N ATOM 0 H LYS A 78 9.695 6.126 -0.465 1.00 0.00 H new ATOM 0 HA LYS A 78 8.730 8.245 1.022 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.481 7.831 -1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.379 9.107 -1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.824 10.113 0.746 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.187 9.014 0.813 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.184 10.010 -1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.750 10.969 -1.489 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.114 12.229 0.626 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.509 11.236 0.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.162 13.321 -0.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.577 12.025 -1.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.225 12.987 -1.390 1.00 0.00 H new ATOM 1088 N VAL A 79 6.766 7.443 -1.433 1.00 0.00 N ATOM 1089 CA VAL A 79 5.449 7.670 -2.003 1.00 0.00 C ATOM 1090 C VAL A 79 4.406 6.903 -1.188 1.00 0.00 C ATOM 1091 O VAL A 79 3.352 7.443 -0.856 1.00 0.00 O ATOM 1092 CB VAL A 79 5.447 7.290 -3.485 1.00 0.00 C ATOM 1093 CG1 VAL A 79 4.511 6.108 -3.747 1.00 0.00 C ATOM 1094 CG2 VAL A 79 5.074 8.489 -4.358 1.00 0.00 C ATOM 0 H VAL A 79 7.255 6.627 -1.801 1.00 0.00 H new ATOM 0 HA VAL A 79 5.188 8.727 -1.952 1.00 0.00 H new ATOM 0 HB VAL A 79 6.458 6.982 -3.753 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.528 5.858 -4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.841 5.247 -3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.496 6.376 -3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.080 8.191 -5.407 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.079 8.841 -4.086 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.797 9.290 -4.204 1.00 0.00 H new ATOM 1104 N LEU A 80 4.737 5.656 -0.888 1.00 0.00 N ATOM 1105 CA LEU A 80 3.842 4.809 -0.118 1.00 0.00 C ATOM 1106 C LEU A 80 3.619 5.432 1.262 1.00 0.00 C ATOM 1107 O LEU A 80 2.711 5.030 1.989 1.00 0.00 O ATOM 1108 CB LEU A 80 4.373 3.375 -0.066 1.00 0.00 C ATOM 1109 CG LEU A 80 3.836 2.422 -1.136 1.00 0.00 C ATOM 1110 CD1 LEU A 80 4.653 1.129 -1.179 1.00 0.00 C ATOM 1111 CD2 LEU A 80 2.344 2.150 -0.928 1.00 0.00 C ATOM 0 H LEU A 80 5.613 5.212 -1.164 1.00 0.00 H new ATOM 0 HA LEU A 80 2.867 4.746 -0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.459 3.408 -0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.140 2.958 0.914 1.00 0.00 H new ATOM 0 HG LEU A 80 3.944 2.904 -2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.250 0.470 -1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.692 1.363 -1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.599 0.632 -0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.987 1.470 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.190 1.698 0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.792 3.088 -0.986 1.00 0.00 H new ATOM 1123 N THR A 81 4.462 6.402 1.581 1.00 0.00 N ATOM 1124 CA THR A 81 4.369 7.085 2.861 1.00 0.00 C ATOM 1125 C THR A 81 3.872 8.519 2.665 1.00 0.00 C ATOM 1126 O THR A 81 3.818 9.296 3.617 1.00 0.00 O ATOM 1127 CB THR A 81 5.736 7.003 3.541 1.00 0.00 C ATOM 1128 OG1 THR A 81 5.512 7.550 4.838 1.00 0.00 O ATOM 1129 CG2 THR A 81 6.762 7.946 2.910 1.00 0.00 C ATOM 0 H THR A 81 5.213 6.732 0.975 1.00 0.00 H new ATOM 0 HA THR A 81 3.637 6.607 3.512 1.00 0.00 H new ATOM 0 HB THR A 81 6.106 5.979 3.490 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.914 8.323 4.768 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.715 7.848 3.430 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.894 7.689 1.859 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.409 8.974 2.990 1.00 0.00 H new ATOM 1137 N SER A 82 3.522 8.826 1.425 1.00 0.00 N ATOM 1138 CA SER A 82 3.032 10.152 1.092 1.00 0.00 C ATOM 1139 C SER A 82 1.744 10.045 0.274 1.00 0.00 C ATOM 1140 O SER A 82 1.777 10.111 -0.954 1.00 0.00 O ATOM 1141 CB SER A 82 4.085 10.952 0.322 1.00 0.00 C ATOM 1142 OG SER A 82 3.921 12.357 0.495 1.00 0.00 O ATOM 0 H SER A 82 3.568 8.179 0.638 1.00 0.00 H new ATOM 0 HA SER A 82 2.821 10.681 2.021 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.080 10.659 0.658 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.022 10.708 -0.738 1.00 0.00 H new ATOM 0 HG SER A 82 4.613 12.832 -0.011 1.00 0.00 H new ATOM 1148 N SER A 83 0.639 9.880 0.987 1.00 0.00 N ATOM 1149 CA SER A 83 -0.657 9.762 0.342 1.00 0.00 C ATOM 1150 C SER A 83 -1.700 9.271 1.348 1.00 0.00 C ATOM 1151 O SER A 83 -1.424 8.377 2.147 1.00 0.00 O ATOM 1152 CB SER A 83 -0.591 8.815 -0.858 1.00 0.00 C ATOM 1153 OG SER A 83 -0.630 9.519 -2.097 1.00 0.00 O ATOM 0 H SER A 83 0.615 9.825 2.005 1.00 0.00 H new ATOM 0 HA SER A 83 -0.948 10.747 -0.022 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.324 8.226 -0.805 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.425 8.114 -0.813 1.00 0.00 H new ATOM 0 HG SER A 83 0.188 10.049 -2.198 1.00 0.00 H new ATOM 1159 N SER A 84 -2.876 9.877 1.277 1.00 0.00 N ATOM 1160 CA SER A 84 -3.961 9.513 2.172 1.00 0.00 C ATOM 1161 C SER A 84 -4.842 8.447 1.519 1.00 0.00 C ATOM 1162 O SER A 84 -6.022 8.327 1.844 1.00 0.00 O ATOM 1163 CB SER A 84 -4.799 10.737 2.548 1.00 0.00 C ATOM 1164 OG SER A 84 -3.998 11.790 3.077 1.00 0.00 O ATOM 0 H SER A 84 -3.101 10.618 0.613 1.00 0.00 H new ATOM 0 HA SER A 84 -3.529 9.108 3.087 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.333 11.095 1.668 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.551 10.450 3.283 1.00 0.00 H new ATOM 0 HG SER A 84 -4.569 12.554 3.303 1.00 0.00 H new ATOM 1170 N ARG A 85 -4.235 7.698 0.610 1.00 0.00 N ATOM 1171 CA ARG A 85 -4.950 6.645 -0.091 1.00 0.00 C ATOM 1172 C ARG A 85 -4.020 5.943 -1.083 1.00 0.00 C ATOM 1173 O ARG A 85 -3.880 6.379 -2.224 1.00 0.00 O ATOM 1174 CB ARG A 85 -6.157 7.207 -0.845 1.00 0.00 C ATOM 1175 CG ARG A 85 -5.730 8.296 -1.830 1.00 0.00 C ATOM 1176 CD ARG A 85 -6.611 9.540 -1.688 1.00 0.00 C ATOM 1177 NE ARG A 85 -5.961 10.698 -2.341 1.00 0.00 N ATOM 1178 CZ ARG A 85 -5.979 10.922 -3.662 1.00 0.00 C ATOM 1179 NH1 ARG A 85 -6.614 10.070 -4.478 1.00 0.00 N ATOM 1180 NH2 ARG A 85 -5.362 11.999 -4.168 1.00 0.00 N ATOM 0 H ARG A 85 -3.256 7.800 0.343 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.301 5.930 0.653 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.661 6.403 -1.382 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.876 7.616 -0.135 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.688 8.562 -1.654 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.794 7.915 -2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.587 9.358 -2.139 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.783 9.756 -0.633 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.469 11.367 -1.749 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.084 9.250 -4.094 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.627 10.241 -5.483 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.879 12.648 -3.547 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.376 12.169 -5.174 1.00 0.00 H new ATOM 1194 N LEU A 86 -3.410 4.865 -0.611 1.00 0.00 N ATOM 1195 CA LEU A 86 -2.498 4.098 -1.443 1.00 0.00 C ATOM 1196 C LEU A 86 -3.287 3.038 -2.213 1.00 0.00 C ATOM 1197 O LEU A 86 -3.894 2.152 -1.613 1.00 0.00 O ATOM 1198 CB LEU A 86 -1.358 3.524 -0.599 1.00 0.00 C ATOM 1199 CG LEU A 86 -0.433 4.546 0.064 1.00 0.00 C ATOM 1200 CD1 LEU A 86 -1.239 5.628 0.786 1.00 0.00 C ATOM 1201 CD2 LEU A 86 0.567 3.858 0.996 1.00 0.00 C ATOM 0 H LEU A 86 -3.529 4.505 0.336 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.023 4.742 -2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.790 2.896 0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.754 2.875 -1.233 1.00 0.00 H new ATOM 0 HG LEU A 86 0.144 5.041 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.557 6.342 1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.876 6.147 0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.859 5.167 1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.212 4.607 1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.027 3.319 1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.175 3.157 0.424 1.00 0.00 H new ATOM 1213 N HIS A 87 -3.253 3.163 -3.532 1.00 0.00 N ATOM 1214 CA HIS A 87 -3.957 2.227 -4.391 1.00 0.00 C ATOM 1215 C HIS A 87 -2.957 1.252 -5.017 1.00 0.00 C ATOM 1216 O HIS A 87 -2.453 1.493 -6.113 1.00 0.00 O ATOM 1217 CB HIS A 87 -4.793 2.970 -5.435 1.00 0.00 C ATOM 1218 CG HIS A 87 -6.074 3.557 -4.892 1.00 0.00 C ATOM 1219 ND1 HIS A 87 -6.781 4.550 -5.548 1.00 0.00 N ATOM 1220 CD2 HIS A 87 -6.767 3.280 -3.750 1.00 0.00 C ATOM 1221 CE1 HIS A 87 -7.849 4.850 -4.824 1.00 0.00 C ATOM 1222 NE2 HIS A 87 -7.838 4.063 -3.710 1.00 0.00 N ATOM 0 H HIS A 87 -2.749 3.899 -4.026 1.00 0.00 H new ATOM 0 HA HIS A 87 -4.659 1.642 -3.798 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.191 3.771 -5.864 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -5.035 2.284 -6.247 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -6.523 4.978 -6.437 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.491 2.548 -3.005 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -8.597 5.588 -5.072 1.00 0.00 H new ATOM 1230 N MET A 88 -2.700 0.173 -4.293 1.00 0.00 N ATOM 1231 CA MET A 88 -1.769 -0.839 -4.763 1.00 0.00 C ATOM 1232 C MET A 88 -2.496 -1.926 -5.558 1.00 0.00 C ATOM 1233 O MET A 88 -3.588 -2.350 -5.182 1.00 0.00 O ATOM 1234 CB MET A 88 -1.056 -1.473 -3.567 1.00 0.00 C ATOM 1235 CG MET A 88 -0.178 -0.448 -2.847 1.00 0.00 C ATOM 1236 SD MET A 88 -0.077 -0.844 -1.109 1.00 0.00 S ATOM 1237 CE MET A 88 -1.797 -0.695 -0.657 1.00 0.00 C ATOM 0 H MET A 88 -3.120 -0.023 -3.384 1.00 0.00 H new ATOM 0 HA MET A 88 -1.042 -0.360 -5.418 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.792 -1.878 -2.873 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.443 -2.309 -3.905 1.00 0.00 H new ATOM 0 HG2 MET A 88 0.820 -0.440 -3.285 1.00 0.00 H new ATOM 0 HG3 MET A 88 -0.591 0.552 -2.977 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.905 0.060 0.121 1.00 0.00 H new ATOM 0 HE2 MET A 88 -2.379 -0.401 -1.531 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.160 -1.653 -0.285 1.00 0.00 H new ATOM 1247 N MET A 89 -1.861 -2.345 -6.643 1.00 0.00 N ATOM 1248 CA MET A 89 -2.434 -3.374 -7.495 1.00 0.00 C ATOM 1249 C MET A 89 -1.443 -4.519 -7.713 1.00 0.00 C ATOM 1250 O MET A 89 -0.356 -4.310 -8.251 1.00 0.00 O ATOM 1251 CB MET A 89 -2.817 -2.764 -8.845 1.00 0.00 C ATOM 1252 CG MET A 89 -3.328 -1.332 -8.675 1.00 0.00 C ATOM 1253 SD MET A 89 -4.700 -1.305 -7.534 1.00 0.00 S ATOM 1254 CE MET A 89 -6.039 -1.688 -8.650 1.00 0.00 C ATOM 0 H MET A 89 -0.956 -1.991 -6.952 1.00 0.00 H new ATOM 0 HA MET A 89 -3.321 -3.775 -7.004 1.00 0.00 H new ATOM 0 HB2 MET A 89 -1.952 -2.769 -9.509 1.00 0.00 H new ATOM 0 HB3 MET A 89 -3.586 -3.374 -9.319 1.00 0.00 H new ATOM 0 HG2 MET A 89 -2.526 -0.692 -8.307 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.639 -0.931 -9.640 1.00 0.00 H new ATOM 0 HE1 MET A 89 -6.896 -1.055 -8.421 1.00 0.00 H new ATOM 0 HE2 MET A 89 -5.720 -1.509 -9.677 1.00 0.00 H new ATOM 0 HE3 MET A 89 -6.320 -2.735 -8.535 1.00 0.00 H new ATOM 1264 N VAL A 90 -1.853 -5.704 -7.286 1.00 0.00 N ATOM 1265 CA VAL A 90 -1.015 -6.882 -7.428 1.00 0.00 C ATOM 1266 C VAL A 90 -1.519 -7.722 -8.603 1.00 0.00 C ATOM 1267 O VAL A 90 -2.690 -7.642 -8.971 1.00 0.00 O ATOM 1268 CB VAL A 90 -0.976 -7.659 -6.111 1.00 0.00 C ATOM 1269 CG1 VAL A 90 -0.341 -6.821 -4.999 1.00 0.00 C ATOM 1270 CG2 VAL A 90 -2.376 -8.130 -5.711 1.00 0.00 C ATOM 0 H VAL A 90 -2.755 -5.874 -6.841 1.00 0.00 H new ATOM 0 HA VAL A 90 0.013 -6.595 -7.650 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.355 -8.542 -6.261 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.325 -7.396 -4.073 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.679 -6.557 -5.279 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.923 -5.912 -4.851 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.320 -8.680 -4.771 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.029 -7.266 -5.588 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.777 -8.780 -6.488 1.00 0.00 H new ATOM 1280 N ARG A 91 -0.610 -8.510 -9.159 1.00 0.00 N ATOM 1281 CA ARG A 91 -0.948 -9.364 -10.285 1.00 0.00 C ATOM 1282 C ARG A 91 -0.942 -10.833 -9.857 1.00 0.00 C ATOM 1283 O ARG A 91 0.066 -11.335 -9.362 1.00 0.00 O ATOM 1284 CB ARG A 91 0.039 -9.172 -11.438 1.00 0.00 C ATOM 1285 CG ARG A 91 -0.415 -8.042 -12.365 1.00 0.00 C ATOM 1286 CD ARG A 91 0.368 -8.065 -13.680 1.00 0.00 C ATOM 1287 NE ARG A 91 -0.178 -7.052 -14.611 1.00 0.00 N ATOM 1288 CZ ARG A 91 0.102 -5.744 -14.547 1.00 0.00 C ATOM 1289 NH1 ARG A 91 0.924 -5.281 -13.596 1.00 0.00 N ATOM 1290 NH2 ARG A 91 -0.439 -4.898 -15.434 1.00 0.00 N ATOM 0 H ARG A 91 0.360 -8.575 -8.851 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.945 -9.085 -10.625 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.029 -8.946 -11.041 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.127 -10.099 -12.005 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.481 -8.141 -12.570 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.274 -7.081 -11.870 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.422 -7.865 -13.489 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.308 -9.055 -14.131 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.807 -7.370 -15.348 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.337 -5.925 -12.921 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.137 -4.285 -13.547 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.065 -5.250 -16.159 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.225 -3.902 -15.385 1.00 0.00 H new ATOM 1304 N ARG A 92 -2.080 -11.481 -10.062 1.00 0.00 N ATOM 1305 CA ARG A 92 -2.218 -12.882 -9.704 1.00 0.00 C ATOM 1306 C ARG A 92 -2.522 -13.720 -10.947 1.00 0.00 C ATOM 1307 O ARG A 92 -3.161 -13.241 -11.883 1.00 0.00 O ATOM 1308 CB ARG A 92 -3.335 -13.080 -8.678 1.00 0.00 C ATOM 1309 CG ARG A 92 -3.222 -14.448 -8.001 1.00 0.00 C ATOM 1310 CD ARG A 92 -4.102 -14.516 -6.751 1.00 0.00 C ATOM 1311 NE ARG A 92 -3.271 -14.803 -5.561 1.00 0.00 N ATOM 1312 CZ ARG A 92 -3.765 -15.030 -4.337 1.00 0.00 C ATOM 1313 NH1 ARG A 92 -5.089 -15.004 -4.133 1.00 0.00 N ATOM 1314 NH2 ARG A 92 -2.935 -15.282 -3.315 1.00 0.00 N ATOM 0 H ARG A 92 -2.915 -11.061 -10.471 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.275 -13.207 -9.265 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.286 -12.293 -7.926 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.304 -12.992 -9.169 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.517 -15.230 -8.701 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.184 -14.639 -7.730 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.630 -13.572 -6.617 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.859 -15.291 -6.871 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.258 -14.830 -5.680 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.721 -14.811 -4.910 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.465 -15.177 -3.201 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -1.927 -15.301 -3.469 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -3.312 -15.455 -2.383 1.00 0.00 H new