USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 845 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 71 LYS NZ :NH3+ -134:sc= 0.00198 (180deg=-2.38!) USER MOD Set 1.2: A 85 TYR OH : rot -129:sc= 0.0778! USER MOD Single : A 2 THR OG1 : rot -30:sc= 0.122 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -105:sc= 0.472 (180deg=-2.23!) USER MOD Single : A 9 SER OG : rot -159:sc= -1.3 USER MOD Single : A 17 LYS NZ :NH3+ -116:sc= -1.21 (180deg=-2.24!) USER MOD Single : A 19 GLN : amide:sc= -1.5 X(o=-1.5,f=-2) USER MOD Single : A 25 SER OG : rot 180:sc= -0.173 USER MOD Single : A 35 HIS : no HD1:sc= -2.89! C(o=-2.9!,f=-8.3!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.805 K(o=0.8,f=-6.3!) USER MOD Single : A 43 GLN : amide:sc= -2.13! K(o=-2.1!,f=-1.5) USER MOD Single : A 45 THR OG1 : rot 84:sc= 0.95 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.108 USER MOD Single : A 83 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-5!) USER MOD Single : A 91 SER OG : rot -35:sc= 0.382 USER MOD Single : A 94 THR OG1 : rot -18:sc= -1.68! USER MOD Single : A 108 GLN : amide:sc= -1.25 K(o=-1.2,f=-0.086) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 8.236 -4.715 10.810 1.00 0.00 N ATOM 21 CA THR A 2 7.290 -5.198 9.789 1.00 0.00 C ATOM 22 C THR A 2 6.393 -4.079 9.214 1.00 0.00 C ATOM 23 O THR A 2 5.272 -4.341 8.773 1.00 0.00 O ATOM 24 CB THR A 2 6.383 -6.296 10.390 1.00 0.00 C ATOM 25 OG1 THR A 2 5.714 -5.789 11.560 1.00 0.00 O ATOM 26 CG2 THR A 2 7.193 -7.539 10.757 1.00 0.00 C ATOM 0 HA THR A 2 7.895 -5.591 8.972 1.00 0.00 H new ATOM 0 HB THR A 2 5.645 -6.578 9.639 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.276 -5.111 11.990 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.529 -8.295 11.177 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.675 -7.936 9.864 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.953 -7.274 11.492 1.00 0.00 H new ATOM 34 N LEU A 3 6.892 -2.845 9.184 1.00 0.00 N ATOM 35 CA LEU A 3 6.109 -1.710 8.675 1.00 0.00 C ATOM 36 C LEU A 3 6.162 -1.635 7.139 1.00 0.00 C ATOM 37 O LEU A 3 7.178 -1.250 6.559 1.00 0.00 O ATOM 38 CB LEU A 3 6.619 -0.393 9.279 1.00 0.00 C ATOM 39 CG LEU A 3 6.489 -0.270 10.806 1.00 0.00 C ATOM 40 CD1 LEU A 3 7.072 1.055 11.299 1.00 0.00 C ATOM 41 CD2 LEU A 3 5.030 -0.410 11.234 1.00 0.00 C ATOM 0 H LEU A 3 7.830 -2.601 9.503 1.00 0.00 H new ATOM 0 HA LEU A 3 5.072 -1.864 8.973 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.669 -0.273 9.011 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.076 0.432 8.818 1.00 0.00 H new ATOM 0 HG LEU A 3 7.060 -1.080 11.261 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.968 1.118 12.382 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.127 1.110 11.032 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.537 1.883 10.834 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.959 -0.320 12.318 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.436 0.375 10.765 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.652 -1.385 10.925 1.00 0.00 H new ATOM 53 N ILE A 4 5.062 -2.010 6.490 1.00 0.00 N ATOM 54 CA ILE A 4 4.974 -1.991 5.025 1.00 0.00 C ATOM 55 C ILE A 4 4.400 -0.660 4.521 1.00 0.00 C ATOM 56 O ILE A 4 3.489 -0.101 5.136 1.00 0.00 O ATOM 57 CB ILE A 4 4.065 -3.125 4.510 1.00 0.00 C ATOM 58 CG1 ILE A 4 4.372 -4.449 5.229 1.00 0.00 C ATOM 59 CG2 ILE A 4 4.225 -3.288 3.003 1.00 0.00 C ATOM 60 CD1 ILE A 4 3.510 -5.606 4.766 1.00 0.00 C ATOM 0 H ILE A 4 4.213 -2.333 6.955 1.00 0.00 H new ATOM 0 HA ILE A 4 5.988 -2.124 4.648 1.00 0.00 H new ATOM 0 HB ILE A 4 3.031 -2.856 4.726 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.420 -4.703 5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.234 -4.311 6.301 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.577 -4.092 2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.950 -2.358 2.505 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.262 -3.531 2.771 1.00 0.00 H new ATOM 0 HD11 ILE A 4 3.783 -6.506 5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.461 -5.373 4.948 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.666 -5.772 3.700 1.00 0.00 H new ATOM 72 N TYR A 5 4.912 -0.167 3.390 1.00 0.00 N ATOM 73 CA TYR A 5 4.482 1.130 2.849 1.00 0.00 C ATOM 74 C TYR A 5 4.126 1.031 1.355 1.00 0.00 C ATOM 75 O TYR A 5 4.974 0.699 0.529 1.00 0.00 O ATOM 76 CB TYR A 5 5.589 2.178 3.029 1.00 0.00 C ATOM 77 CG TYR A 5 6.181 2.246 4.428 1.00 0.00 C ATOM 78 CD1 TYR A 5 5.374 2.199 5.563 1.00 0.00 C ATOM 79 CD2 TYR A 5 7.552 2.376 4.609 1.00 0.00 C ATOM 80 CE1 TYR A 5 5.921 2.284 6.830 1.00 0.00 C ATOM 81 CE2 TYR A 5 8.103 2.453 5.871 1.00 0.00 C ATOM 82 CZ TYR A 5 7.286 2.409 6.976 1.00 0.00 C ATOM 83 OH TYR A 5 7.836 2.506 8.233 1.00 0.00 O ATOM 0 H TYR A 5 5.621 -0.642 2.832 1.00 0.00 H new ATOM 0 HA TYR A 5 3.592 1.431 3.401 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.390 1.965 2.321 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.187 3.158 2.772 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.305 2.095 5.451 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.199 2.418 3.745 1.00 0.00 H new ATOM 0 HE1 TYR A 5 5.282 2.253 7.700 1.00 0.00 H new ATOM 0 HE2 TYR A 5 9.172 2.547 5.991 1.00 0.00 H new ATOM 0 HH TYR A 5 8.810 2.587 8.159 1.00 0.00 H new ATOM 93 N LYS A 6 2.875 1.340 1.011 1.00 0.00 N ATOM 94 CA LYS A 6 2.428 1.317 -0.392 1.00 0.00 C ATOM 95 C LYS A 6 1.764 2.645 -0.799 1.00 0.00 C ATOM 96 O LYS A 6 0.786 3.071 -0.186 1.00 0.00 O ATOM 97 CB LYS A 6 1.464 0.145 -0.624 1.00 0.00 C ATOM 98 CG LYS A 6 0.840 0.120 -2.024 1.00 0.00 C ATOM 99 CD LYS A 6 0.212 -1.230 -2.348 1.00 0.00 C ATOM 100 CE LYS A 6 -0.801 -1.666 -1.299 1.00 0.00 C ATOM 101 NZ LYS A 6 -1.296 -3.040 -1.569 1.00 0.00 N ATOM 0 H LYS A 6 2.152 1.609 1.678 1.00 0.00 H new ATOM 0 HA LYS A 6 3.310 1.183 -1.019 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.999 -0.790 -0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.666 0.191 0.118 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.081 0.899 -2.096 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.605 0.351 -2.765 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.277 -1.176 -3.321 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.996 -1.983 -2.427 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.343 -1.629 -0.310 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.640 -0.970 -1.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.260 -2.992 -1.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.670 -3.505 -2.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.304 -3.586 -0.684 1.00 0.00 H new ATOM 115 N ILE A 7 2.293 3.286 -1.847 1.00 0.00 N ATOM 116 CA ILE A 7 1.773 4.581 -2.318 1.00 0.00 C ATOM 117 C ILE A 7 0.697 4.402 -3.403 1.00 0.00 C ATOM 118 O ILE A 7 0.834 3.572 -4.302 1.00 0.00 O ATOM 119 CB ILE A 7 2.901 5.496 -2.887 1.00 0.00 C ATOM 120 CG1 ILE A 7 3.991 5.760 -1.831 1.00 0.00 C ATOM 121 CG2 ILE A 7 2.326 6.821 -3.393 1.00 0.00 C ATOM 122 CD1 ILE A 7 4.970 4.620 -1.657 1.00 0.00 C ATOM 0 H ILE A 7 3.082 2.931 -2.388 1.00 0.00 H new ATOM 0 HA ILE A 7 1.333 5.058 -1.442 1.00 0.00 H new ATOM 0 HB ILE A 7 3.357 4.971 -3.726 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.542 6.659 -2.109 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.512 5.963 -0.873 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.132 7.441 -3.785 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.602 6.625 -4.184 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.834 7.342 -2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.705 4.884 -0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.433 3.724 -1.347 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.478 4.430 -2.602 1.00 0.00 H new ATOM 134 N LEU A 8 -0.367 5.196 -3.309 1.00 0.00 N ATOM 135 CA LEU A 8 -1.434 5.214 -4.318 1.00 0.00 C ATOM 136 C LEU A 8 -2.067 6.613 -4.396 1.00 0.00 C ATOM 137 O LEU A 8 -1.734 7.495 -3.607 1.00 0.00 O ATOM 138 CB LEU A 8 -2.515 4.158 -4.006 1.00 0.00 C ATOM 139 CG LEU A 8 -3.433 4.449 -2.798 1.00 0.00 C ATOM 140 CD1 LEU A 8 -4.482 3.351 -2.649 1.00 0.00 C ATOM 141 CD2 LEU A 8 -2.631 4.595 -1.506 1.00 0.00 C ATOM 0 H LEU A 8 -0.518 5.844 -2.536 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.990 4.969 -5.283 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.141 4.039 -4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.019 3.202 -3.836 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.937 5.397 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.120 3.571 -1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.090 3.303 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.986 2.393 -2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.309 4.799 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.086 3.672 -1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.924 5.419 -1.608 1.00 0.00 H new ATOM 153 N SER A 9 -2.976 6.823 -5.343 1.00 0.00 N ATOM 154 CA SER A 9 -3.665 8.118 -5.461 1.00 0.00 C ATOM 155 C SER A 9 -4.843 8.206 -4.485 1.00 0.00 C ATOM 156 O SER A 9 -5.441 7.189 -4.122 1.00 0.00 O ATOM 157 CB SER A 9 -4.171 8.346 -6.891 1.00 0.00 C ATOM 158 OG SER A 9 -5.229 7.457 -7.216 1.00 0.00 O ATOM 0 H SER A 9 -3.255 6.128 -6.035 1.00 0.00 H new ATOM 0 HA SER A 9 -2.940 8.893 -5.214 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.514 9.375 -6.997 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.350 8.209 -7.595 1.00 0.00 H new ATOM 0 HG SER A 9 -5.307 7.383 -8.190 1.00 0.00 H new ATOM 164 N ARG A 10 -5.177 9.425 -4.065 1.00 0.00 N ATOM 165 CA ARG A 10 -6.306 9.647 -3.156 1.00 0.00 C ATOM 166 C ARG A 10 -7.607 9.086 -3.764 1.00 0.00 C ATOM 167 O ARG A 10 -8.501 8.645 -3.043 1.00 0.00 O ATOM 168 CB ARG A 10 -6.443 11.153 -2.844 1.00 0.00 C ATOM 169 CG ARG A 10 -6.875 11.473 -1.410 1.00 0.00 C ATOM 170 CD ARG A 10 -8.300 11.025 -1.107 1.00 0.00 C ATOM 171 NE ARG A 10 -8.682 11.317 0.273 1.00 0.00 N ATOM 172 CZ ARG A 10 -9.909 11.554 0.662 1.00 0.00 C ATOM 173 NH1 ARG A 10 -10.887 11.548 -0.190 1.00 0.00 N ATOM 174 NH2 ARG A 10 -10.153 11.806 1.904 1.00 0.00 N ATOM 0 H ARG A 10 -4.684 10.275 -4.338 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.119 9.118 -2.222 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.487 11.639 -3.038 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.167 11.588 -3.533 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.191 10.989 -0.713 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.793 12.547 -1.242 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.990 11.524 -1.788 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.390 9.954 -1.290 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.945 11.337 0.978 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.704 11.357 -1.175 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.839 11.734 0.125 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.390 11.820 2.581 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.109 11.991 2.209 1.00 0.00 H new ATOM 188 N ALA A 11 -7.689 9.091 -5.097 1.00 0.00 N ATOM 189 CA ALA A 11 -8.829 8.508 -5.812 1.00 0.00 C ATOM 190 C ALA A 11 -8.931 6.994 -5.559 1.00 0.00 C ATOM 191 O ALA A 11 -9.971 6.498 -5.120 1.00 0.00 O ATOM 192 CB ALA A 11 -8.708 8.793 -7.306 1.00 0.00 C ATOM 0 H ALA A 11 -6.977 9.494 -5.706 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.741 8.970 -5.434 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.559 8.357 -7.830 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.694 9.870 -7.471 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.785 8.356 -7.686 1.00 0.00 H new ATOM 198 N GLU A 12 -7.837 6.271 -5.823 1.00 0.00 N ATOM 199 CA GLU A 12 -7.785 4.819 -5.593 1.00 0.00 C ATOM 200 C GLU A 12 -8.074 4.480 -4.122 1.00 0.00 C ATOM 201 O GLU A 12 -8.830 3.555 -3.821 1.00 0.00 O ATOM 202 CB GLU A 12 -6.404 4.267 -5.992 1.00 0.00 C ATOM 203 CG GLU A 12 -6.044 4.479 -7.461 1.00 0.00 C ATOM 204 CD GLU A 12 -6.953 3.719 -8.416 1.00 0.00 C ATOM 205 OE1 GLU A 12 -7.994 4.271 -8.826 1.00 0.00 O ATOM 206 OE2 GLU A 12 -6.627 2.563 -8.764 1.00 0.00 O ATOM 0 H GLU A 12 -6.974 6.666 -6.196 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.553 4.354 -6.211 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.643 4.740 -5.371 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.375 3.200 -5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.095 5.543 -7.691 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.013 4.166 -7.625 1.00 0.00 H new ATOM 213 N TRP A 13 -7.476 5.250 -3.216 1.00 0.00 N ATOM 214 CA TRP A 13 -7.662 5.045 -1.777 1.00 0.00 C ATOM 215 C TRP A 13 -9.125 5.252 -1.359 1.00 0.00 C ATOM 216 O TRP A 13 -9.722 4.392 -0.707 1.00 0.00 O ATOM 217 CB TRP A 13 -6.739 5.987 -0.988 1.00 0.00 C ATOM 218 CG TRP A 13 -6.916 5.910 0.503 1.00 0.00 C ATOM 219 CD1 TRP A 13 -7.115 6.958 1.355 1.00 0.00 C ATOM 220 CD2 TRP A 13 -6.925 4.726 1.316 1.00 0.00 C ATOM 221 NE1 TRP A 13 -7.233 6.504 2.643 1.00 0.00 N ATOM 222 CE2 TRP A 13 -7.121 5.138 2.647 1.00 0.00 C ATOM 223 CE3 TRP A 13 -6.784 3.358 1.048 1.00 0.00 C ATOM 224 CZ2 TRP A 13 -7.178 4.235 3.705 1.00 0.00 C ATOM 225 CZ3 TRP A 13 -6.841 2.464 2.101 1.00 0.00 C ATOM 226 CH2 TRP A 13 -7.037 2.906 3.414 1.00 0.00 C ATOM 0 H TRP A 13 -6.856 6.025 -3.452 1.00 0.00 H new ATOM 0 HA TRP A 13 -7.400 4.012 -1.548 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -5.703 5.753 -1.233 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.920 7.012 -1.312 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -7.171 7.995 1.057 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -7.380 7.089 3.466 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -6.634 3.008 0.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.328 4.572 4.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -6.732 1.407 1.907 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -7.078 2.182 4.215 1.00 0.00 H new ATOM 237 N ASP A 14 -9.703 6.388 -1.743 1.00 0.00 N ATOM 238 CA ASP A 14 -11.093 6.697 -1.398 1.00 0.00 C ATOM 239 C ASP A 14 -12.039 5.635 -1.956 1.00 0.00 C ATOM 240 O ASP A 14 -12.914 5.122 -1.253 1.00 0.00 O ATOM 241 CB ASP A 14 -11.484 8.072 -1.938 1.00 0.00 C ATOM 242 CG ASP A 14 -12.723 8.613 -1.248 1.00 0.00 C ATOM 243 OD1 ASP A 14 -12.636 8.965 -0.053 1.00 0.00 O ATOM 244 OD2 ASP A 14 -13.791 8.674 -1.887 1.00 0.00 O ATOM 0 H ASP A 14 -9.234 7.109 -2.291 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.177 6.704 -0.311 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.656 8.767 -1.798 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.665 8.004 -3.011 1.00 0.00 H new ATOM 249 N ALA A 15 -11.840 5.309 -3.224 1.00 0.00 N ATOM 250 CA ALA A 15 -12.621 4.282 -3.896 1.00 0.00 C ATOM 251 C ALA A 15 -12.560 2.945 -3.141 1.00 0.00 C ATOM 252 O ALA A 15 -13.585 2.312 -2.904 1.00 0.00 O ATOM 253 CB ALA A 15 -12.117 4.131 -5.321 1.00 0.00 C ATOM 0 H ALA A 15 -11.134 5.748 -3.815 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.668 4.586 -3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.697 3.363 -5.833 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.226 5.079 -5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.066 3.843 -5.307 1.00 0.00 H new ATOM 259 N ALA A 16 -11.356 2.532 -2.743 1.00 0.00 N ATOM 260 CA ALA A 16 -11.172 1.293 -1.975 1.00 0.00 C ATOM 261 C ALA A 16 -11.894 1.349 -0.618 1.00 0.00 C ATOM 262 O ALA A 16 -12.390 0.332 -0.130 1.00 0.00 O ATOM 263 CB ALA A 16 -9.687 1.013 -1.773 1.00 0.00 C ATOM 0 H ALA A 16 -10.491 3.036 -2.938 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.615 0.480 -2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.565 0.092 -1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.202 0.906 -2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.232 1.840 -1.229 1.00 0.00 H new ATOM 269 N LYS A 17 -11.956 2.537 -0.011 1.00 0.00 N ATOM 270 CA LYS A 17 -12.699 2.718 1.245 1.00 0.00 C ATOM 271 C LYS A 17 -14.205 2.506 1.028 1.00 0.00 C ATOM 272 O LYS A 17 -14.920 2.101 1.943 1.00 0.00 O ATOM 273 CB LYS A 17 -12.438 4.106 1.850 1.00 0.00 C ATOM 274 CG LYS A 17 -10.978 4.353 2.221 1.00 0.00 C ATOM 275 CD LYS A 17 -10.785 5.618 3.063 1.00 0.00 C ATOM 276 CE LYS A 17 -11.077 6.909 2.295 1.00 0.00 C ATOM 277 NZ LYS A 17 -12.531 7.137 2.062 1.00 0.00 N ATOM 0 H LYS A 17 -11.506 3.382 -0.362 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.342 1.966 1.949 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.756 4.868 1.138 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.055 4.225 2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.598 3.493 2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.385 4.435 1.310 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.436 5.568 3.936 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.760 5.647 3.432 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.667 7.754 2.848 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.562 6.877 1.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.726 7.115 1.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.080 6.391 2.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.803 8.064 2.447 1.00 0.00 H new ATOM 291 N ALA A 18 -14.679 2.772 -0.192 1.00 0.00 N ATOM 292 CA ALA A 18 -16.072 2.484 -0.560 1.00 0.00 C ATOM 293 C ALA A 18 -16.348 0.971 -0.541 1.00 0.00 C ATOM 294 O ALA A 18 -17.440 0.527 -0.182 1.00 0.00 O ATOM 295 CB ALA A 18 -16.389 3.063 -1.933 1.00 0.00 C ATOM 0 H ALA A 18 -14.123 3.185 -0.941 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.720 2.955 0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.424 2.841 -2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.243 4.143 -1.915 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -15.727 2.620 -2.677 1.00 0.00 H new ATOM 301 N GLN A 19 -15.352 0.184 -0.951 1.00 0.00 N ATOM 302 CA GLN A 19 -15.426 -1.280 -0.861 1.00 0.00 C ATOM 303 C GLN A 19 -15.104 -1.757 0.562 1.00 0.00 C ATOM 304 O GLN A 19 -15.533 -2.828 0.988 1.00 0.00 O ATOM 305 CB GLN A 19 -14.435 -1.937 -1.842 1.00 0.00 C ATOM 306 CG GLN A 19 -14.792 -1.783 -3.318 1.00 0.00 C ATOM 307 CD GLN A 19 -14.692 -0.356 -3.824 1.00 0.00 C ATOM 308 OE1 GLN A 19 -15.659 0.398 -3.794 1.00 0.00 O ATOM 309 NE2 GLN A 19 -13.525 0.028 -4.298 1.00 0.00 N ATOM 0 H GLN A 19 -14.481 0.535 -1.350 1.00 0.00 H new ATOM 0 HA GLN A 19 -16.444 -1.573 -1.119 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.446 -1.510 -1.676 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -14.367 -3.000 -1.609 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.132 -2.416 -3.910 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.808 -2.145 -3.477 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.740 -0.623 -4.309 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.406 0.976 -4.654 1.00 0.00 H new ATOM 318 N GLY A 20 -14.321 -0.958 1.283 1.00 0.00 N ATOM 319 CA GLY A 20 -13.858 -1.343 2.611 1.00 0.00 C ATOM 320 C GLY A 20 -12.640 -2.261 2.560 1.00 0.00 C ATOM 321 O GLY A 20 -11.997 -2.521 3.580 1.00 0.00 O ATOM 0 H GLY A 20 -13.996 -0.043 0.970 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.610 -0.447 3.180 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.666 -1.845 3.143 1.00 0.00 H new ATOM 325 N ARG A 21 -12.317 -2.753 1.361 1.00 0.00 N ATOM 326 CA ARG A 21 -11.192 -3.676 1.170 1.00 0.00 C ATOM 327 C ARG A 21 -10.363 -3.280 -0.065 1.00 0.00 C ATOM 328 O ARG A 21 -10.890 -3.214 -1.179 1.00 0.00 O ATOM 329 CB ARG A 21 -11.709 -5.117 0.979 1.00 0.00 C ATOM 330 CG ARG A 21 -12.928 -5.465 1.828 1.00 0.00 C ATOM 331 CD ARG A 21 -13.415 -6.887 1.571 1.00 0.00 C ATOM 332 NE ARG A 21 -14.723 -7.128 2.176 1.00 0.00 N ATOM 333 CZ ARG A 21 -14.937 -7.907 3.203 1.00 0.00 C ATOM 334 NH1 ARG A 21 -13.961 -8.549 3.764 1.00 0.00 N ATOM 335 NH2 ARG A 21 -16.136 -8.038 3.665 1.00 0.00 N ATOM 0 H ARG A 21 -12.821 -2.527 0.503 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.563 -3.623 2.059 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.959 -5.265 -0.072 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.905 -5.813 1.216 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.679 -5.352 2.883 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.732 -4.762 1.613 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.473 -7.063 0.497 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.692 -7.597 1.972 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.528 -6.653 1.767 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.012 -8.449 3.404 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.142 -9.154 4.565 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.909 -7.535 3.228 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -16.310 -8.644 4.466 1.00 0.00 H new ATOM 349 N PHE A 22 -9.076 -3.016 0.128 1.00 0.00 N ATOM 350 CA PHE A 22 -8.169 -2.786 -1.000 1.00 0.00 C ATOM 351 C PHE A 22 -7.774 -4.135 -1.629 1.00 0.00 C ATOM 352 O PHE A 22 -6.769 -4.751 -1.252 1.00 0.00 O ATOM 353 CB PHE A 22 -6.924 -2.005 -0.544 1.00 0.00 C ATOM 354 CG PHE A 22 -6.006 -1.599 -1.676 1.00 0.00 C ATOM 355 CD1 PHE A 22 -6.271 -0.460 -2.426 1.00 0.00 C ATOM 356 CD2 PHE A 22 -4.882 -2.353 -1.990 1.00 0.00 C ATOM 357 CE1 PHE A 22 -5.437 -0.085 -3.463 1.00 0.00 C ATOM 358 CE2 PHE A 22 -4.046 -1.980 -3.025 1.00 0.00 C ATOM 359 CZ PHE A 22 -4.324 -0.846 -3.763 1.00 0.00 C ATOM 0 H PHE A 22 -8.636 -2.955 1.046 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.680 -2.185 -1.752 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.244 -1.110 -0.010 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.364 -2.615 0.164 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.139 0.140 -2.196 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.659 -3.242 -1.418 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.656 0.803 -4.038 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.175 -2.575 -3.257 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.672 -0.555 -4.573 1.00 0.00 H new ATOM 369 N GLU A 23 -8.598 -4.611 -2.559 1.00 0.00 N ATOM 370 CA GLU A 23 -8.414 -5.937 -3.157 1.00 0.00 C ATOM 371 C GLU A 23 -7.411 -5.912 -4.320 1.00 0.00 C ATOM 372 O GLU A 23 -7.793 -5.853 -5.493 1.00 0.00 O ATOM 373 CB GLU A 23 -9.765 -6.499 -3.622 1.00 0.00 C ATOM 374 CG GLU A 23 -10.789 -6.628 -2.497 1.00 0.00 C ATOM 375 CD GLU A 23 -12.131 -7.153 -2.979 1.00 0.00 C ATOM 376 OE1 GLU A 23 -12.903 -6.369 -3.564 1.00 0.00 O ATOM 377 OE2 GLU A 23 -12.423 -8.349 -2.771 1.00 0.00 O ATOM 0 H GLU A 23 -9.403 -4.098 -2.918 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.999 -6.590 -2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.171 -5.852 -4.400 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.607 -7.479 -4.073 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.397 -7.296 -1.730 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.932 -5.654 -2.029 1.00 0.00 H new ATOM 384 N GLY A 24 -6.125 -5.922 -3.971 1.00 0.00 N ATOM 385 CA GLY A 24 -5.058 -6.014 -4.963 1.00 0.00 C ATOM 386 C GLY A 24 -5.099 -4.931 -6.044 1.00 0.00 C ATOM 387 O GLY A 24 -5.293 -3.751 -5.747 1.00 0.00 O ATOM 0 H GLY A 24 -5.798 -5.867 -3.006 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.097 -5.961 -4.450 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.110 -6.991 -5.444 1.00 0.00 H new ATOM 391 N SER A 25 -4.904 -5.356 -7.297 1.00 0.00 N ATOM 392 CA SER A 25 -4.849 -4.455 -8.468 1.00 0.00 C ATOM 393 C SER A 25 -4.378 -5.227 -9.712 1.00 0.00 C ATOM 394 O SER A 25 -4.046 -6.406 -9.623 1.00 0.00 O ATOM 395 CB SER A 25 -3.905 -3.262 -8.221 1.00 0.00 C ATOM 396 OG SER A 25 -3.838 -2.411 -9.358 1.00 0.00 O ATOM 0 H SER A 25 -4.778 -6.340 -7.535 1.00 0.00 H new ATOM 0 HA SER A 25 -5.855 -4.070 -8.632 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.253 -2.693 -7.359 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.907 -3.629 -7.980 1.00 0.00 H new ATOM 0 HG SER A 25 -3.233 -1.663 -9.171 1.00 0.00 H new ATOM 402 N ALA A 26 -4.325 -4.565 -10.864 1.00 0.00 N ATOM 403 CA ALA A 26 -3.899 -5.222 -12.110 1.00 0.00 C ATOM 404 C ALA A 26 -2.488 -5.833 -11.984 1.00 0.00 C ATOM 405 O ALA A 26 -2.267 -6.994 -12.333 1.00 0.00 O ATOM 406 CB ALA A 26 -3.954 -4.238 -13.271 1.00 0.00 C ATOM 0 H ALA A 26 -4.569 -3.580 -10.968 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.591 -6.041 -12.305 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.636 -4.737 -14.186 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.974 -3.874 -13.391 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.291 -3.397 -13.067 1.00 0.00 H new ATOM 412 N VAL A 27 -1.535 -5.045 -11.483 1.00 0.00 N ATOM 413 CA VAL A 27 -0.162 -5.528 -11.268 1.00 0.00 C ATOM 414 C VAL A 27 -0.110 -6.632 -10.188 1.00 0.00 C ATOM 415 O VAL A 27 0.801 -7.464 -10.166 1.00 0.00 O ATOM 416 CB VAL A 27 0.788 -4.363 -10.882 1.00 0.00 C ATOM 417 CG1 VAL A 27 0.438 -3.796 -9.506 1.00 0.00 C ATOM 418 CG2 VAL A 27 2.251 -4.803 -10.945 1.00 0.00 C ATOM 0 H VAL A 27 -1.684 -4.071 -11.218 1.00 0.00 H new ATOM 0 HA VAL A 27 0.176 -5.957 -12.211 1.00 0.00 H new ATOM 0 HB VAL A 27 0.650 -3.565 -11.611 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.121 -2.982 -9.264 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.585 -3.421 -9.517 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.529 -4.581 -8.755 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.894 -3.967 -10.670 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.413 -5.629 -10.252 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.490 -5.127 -11.958 1.00 0.00 H new ATOM 428 N ASP A 28 -1.099 -6.633 -9.296 1.00 0.00 N ATOM 429 CA ASP A 28 -1.236 -7.682 -8.281 1.00 0.00 C ATOM 430 C ASP A 28 -1.505 -9.045 -8.939 1.00 0.00 C ATOM 431 O ASP A 28 -0.781 -10.012 -8.698 1.00 0.00 O ATOM 432 CB ASP A 28 -2.351 -7.298 -7.295 1.00 0.00 C ATOM 433 CG ASP A 28 -3.038 -8.491 -6.651 1.00 0.00 C ATOM 434 OD1 ASP A 28 -2.370 -9.252 -5.934 1.00 0.00 O ATOM 435 OD2 ASP A 28 -4.258 -8.657 -6.855 1.00 0.00 O ATOM 0 H ASP A 28 -1.823 -5.915 -9.254 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.302 -7.773 -7.727 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.930 -6.667 -6.512 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.097 -6.700 -7.819 1.00 0.00 H new ATOM 440 N LEU A 29 -2.530 -9.111 -9.790 1.00 0.00 N ATOM 441 CA LEU A 29 -2.817 -10.333 -10.556 1.00 0.00 C ATOM 442 C LEU A 29 -1.619 -10.726 -11.442 1.00 0.00 C ATOM 443 O LEU A 29 -1.394 -11.907 -11.704 1.00 0.00 O ATOM 444 CB LEU A 29 -4.081 -10.165 -11.424 1.00 0.00 C ATOM 445 CG LEU A 29 -5.433 -10.181 -10.677 1.00 0.00 C ATOM 446 CD1 LEU A 29 -5.587 -11.455 -9.848 1.00 0.00 C ATOM 447 CD2 LEU A 29 -5.606 -8.941 -9.804 1.00 0.00 C ATOM 0 H LEU A 29 -3.174 -8.340 -9.968 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.996 -11.132 -9.836 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.001 -9.223 -11.966 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.092 -10.961 -12.169 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.221 -10.168 -11.430 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.547 -11.440 -9.333 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.541 -12.324 -10.504 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.783 -11.511 -9.115 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.568 -8.987 -9.294 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.805 -8.901 -9.066 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.568 -8.048 -10.428 1.00 0.00 H new ATOM 459 N ALA A 30 -0.855 -9.729 -11.894 1.00 0.00 N ATOM 460 CA ALA A 30 0.357 -9.972 -12.690 1.00 0.00 C ATOM 461 C ALA A 30 1.409 -10.772 -11.897 1.00 0.00 C ATOM 462 O ALA A 30 2.156 -11.575 -12.466 1.00 0.00 O ATOM 463 CB ALA A 30 0.945 -8.650 -13.170 1.00 0.00 C ATOM 0 H ALA A 30 -1.052 -8.743 -11.724 1.00 0.00 H new ATOM 0 HA ALA A 30 0.072 -10.571 -13.555 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.842 -8.843 -13.758 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.212 -8.128 -13.786 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.201 -8.032 -12.309 1.00 0.00 H new ATOM 469 N ASP A 31 1.483 -10.520 -10.592 1.00 0.00 N ATOM 470 CA ASP A 31 2.335 -11.305 -9.685 1.00 0.00 C ATOM 471 C ASP A 31 1.594 -12.541 -9.140 1.00 0.00 C ATOM 472 O ASP A 31 2.206 -13.569 -8.837 1.00 0.00 O ATOM 473 CB ASP A 31 2.789 -10.434 -8.503 1.00 0.00 C ATOM 474 CG ASP A 31 3.901 -9.461 -8.848 1.00 0.00 C ATOM 475 OD1 ASP A 31 3.927 -8.951 -9.989 1.00 0.00 O ATOM 476 OD2 ASP A 31 4.731 -9.162 -7.956 1.00 0.00 O ATOM 0 H ASP A 31 0.962 -9.774 -10.131 1.00 0.00 H new ATOM 0 HA ASP A 31 3.199 -11.642 -10.257 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.933 -9.874 -8.127 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.125 -11.083 -7.694 1.00 0.00 H new ATOM 481 N GLY A 32 0.274 -12.426 -9.017 1.00 0.00 N ATOM 482 CA GLY A 32 -0.521 -13.439 -8.328 1.00 0.00 C ATOM 483 C GLY A 32 -0.681 -13.124 -6.841 1.00 0.00 C ATOM 484 O GLY A 32 -1.431 -13.796 -6.125 1.00 0.00 O ATOM 0 H GLY A 32 -0.267 -11.643 -9.385 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.505 -13.506 -8.793 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.046 -14.413 -8.444 1.00 0.00 H new ATOM 488 N PHE A 33 0.025 -12.085 -6.389 1.00 0.00 N ATOM 489 CA PHE A 33 0.029 -11.666 -4.981 1.00 0.00 C ATOM 490 C PHE A 33 0.294 -10.149 -4.853 1.00 0.00 C ATOM 491 O PHE A 33 1.092 -9.576 -5.603 1.00 0.00 O ATOM 492 CB PHE A 33 1.066 -12.476 -4.175 1.00 0.00 C ATOM 493 CG PHE A 33 2.195 -13.054 -5.003 1.00 0.00 C ATOM 494 CD1 PHE A 33 3.154 -12.235 -5.577 1.00 0.00 C ATOM 495 CD2 PHE A 33 2.290 -14.423 -5.208 1.00 0.00 C ATOM 496 CE1 PHE A 33 4.183 -12.767 -6.332 1.00 0.00 C ATOM 497 CE2 PHE A 33 3.316 -14.959 -5.962 1.00 0.00 C ATOM 498 CZ PHE A 33 4.263 -14.129 -6.526 1.00 0.00 C ATOM 0 H PHE A 33 0.613 -11.507 -6.990 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.959 -11.867 -4.566 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.491 -11.833 -3.404 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.554 -13.291 -3.664 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.097 -11.166 -5.433 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.551 -15.079 -4.772 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.924 -12.115 -6.770 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.377 -16.027 -6.110 1.00 0.00 H new ATOM 0 HZ PHE A 33 5.065 -14.546 -7.118 1.00 0.00 H new ATOM 508 N ILE A 34 -0.361 -9.515 -3.877 1.00 0.00 N ATOM 509 CA ILE A 34 -0.419 -8.047 -3.785 1.00 0.00 C ATOM 510 C ILE A 34 0.958 -7.379 -3.635 1.00 0.00 C ATOM 511 O ILE A 34 1.768 -7.763 -2.789 1.00 0.00 O ATOM 512 CB ILE A 34 -1.324 -7.594 -2.606 1.00 0.00 C ATOM 513 CG1 ILE A 34 -2.722 -8.229 -2.726 1.00 0.00 C ATOM 514 CG2 ILE A 34 -1.431 -6.064 -2.560 1.00 0.00 C ATOM 515 CD1 ILE A 34 -3.676 -7.833 -1.616 1.00 0.00 C ATOM 0 H ILE A 34 -0.864 -9.997 -3.132 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.841 -7.722 -4.736 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.868 -7.932 -1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.158 -7.945 -3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.618 -9.314 -2.732 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.069 -5.769 -1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.438 -5.634 -2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.862 -5.701 -3.493 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.638 -8.321 -1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.264 -8.141 -0.655 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.812 -6.752 -1.622 1.00 0.00 H new ATOM 527 N HIS A 35 1.206 -6.366 -4.470 1.00 0.00 N ATOM 528 CA HIS A 35 2.375 -5.493 -4.315 1.00 0.00 C ATOM 529 C HIS A 35 2.199 -4.557 -3.109 1.00 0.00 C ATOM 530 O HIS A 35 1.100 -4.050 -2.861 1.00 0.00 O ATOM 531 CB HIS A 35 2.589 -4.633 -5.574 1.00 0.00 C ATOM 532 CG HIS A 35 3.129 -5.370 -6.763 1.00 0.00 C ATOM 533 ND1 HIS A 35 4.405 -5.165 -7.249 1.00 0.00 N ATOM 534 CD2 HIS A 35 2.558 -6.275 -7.595 1.00 0.00 C ATOM 535 CE1 HIS A 35 4.592 -5.905 -8.321 1.00 0.00 C ATOM 536 NE2 HIS A 35 3.490 -6.583 -8.552 1.00 0.00 N ATOM 0 H HIS A 35 0.611 -6.129 -5.264 1.00 0.00 H new ATOM 0 HA HIS A 35 3.242 -6.136 -4.159 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.638 -4.177 -5.850 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.273 -3.820 -5.328 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.559 -6.677 -7.519 1.00 0.00 H new ATOM 0 HE1 HIS A 35 5.496 -5.948 -8.910 1.00 0.00 H new ATOM 0 HE2 HIS A 35 3.350 -7.236 -9.323 1.00 0.00 H new ATOM 545 N LEU A 36 3.275 -4.343 -2.358 1.00 0.00 N ATOM 546 CA LEU A 36 3.292 -3.343 -1.282 1.00 0.00 C ATOM 547 C LEU A 36 4.676 -2.695 -1.166 1.00 0.00 C ATOM 548 O LEU A 36 4.831 -1.498 -1.406 1.00 0.00 O ATOM 549 CB LEU A 36 2.892 -3.958 0.069 1.00 0.00 C ATOM 550 CG LEU A 36 1.422 -4.412 0.204 1.00 0.00 C ATOM 551 CD1 LEU A 36 1.292 -5.928 0.055 1.00 0.00 C ATOM 552 CD2 LEU A 36 0.827 -3.936 1.528 1.00 0.00 C ATOM 0 H LEU A 36 4.153 -4.849 -2.472 1.00 0.00 H new ATOM 0 HA LEU A 36 2.559 -2.579 -1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.535 -4.818 0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.098 -3.228 0.852 1.00 0.00 H new ATOM 0 HG LEU A 36 0.855 -3.953 -0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.245 -6.215 0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.659 -6.230 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.879 -6.421 0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.209 -4.267 1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.401 -4.353 2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.864 -2.848 1.573 1.00 0.00 H new ATOM 564 N SER A 37 5.666 -3.513 -0.805 1.00 0.00 N ATOM 565 CA SER A 37 7.078 -3.086 -0.692 1.00 0.00 C ATOM 566 C SER A 37 7.367 -2.321 0.610 1.00 0.00 C ATOM 567 O SER A 37 6.462 -1.819 1.274 1.00 0.00 O ATOM 568 CB SER A 37 7.511 -2.238 -1.901 1.00 0.00 C ATOM 569 OG SER A 37 7.392 -2.967 -3.116 1.00 0.00 O ATOM 0 H SER A 37 5.519 -4.497 -0.580 1.00 0.00 H new ATOM 0 HA SER A 37 7.664 -4.005 -0.674 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.899 -1.338 -1.954 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.543 -1.914 -1.769 1.00 0.00 H new ATOM 0 HG SER A 37 7.673 -2.401 -3.866 1.00 0.00 H new ATOM 575 N ALA A 38 8.648 -2.262 0.980 1.00 0.00 N ATOM 576 CA ALA A 38 9.087 -1.516 2.166 1.00 0.00 C ATOM 577 C ALA A 38 9.610 -0.125 1.775 1.00 0.00 C ATOM 578 O ALA A 38 9.684 0.193 0.593 1.00 0.00 O ATOM 579 CB ALA A 38 10.155 -2.305 2.915 1.00 0.00 C ATOM 0 H ALA A 38 9.404 -2.723 0.474 1.00 0.00 H new ATOM 0 HA ALA A 38 8.230 -1.377 2.825 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.474 -1.743 3.793 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.745 -3.265 3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.010 -2.471 2.260 1.00 0.00 H new ATOM 585 N GLY A 39 9.997 0.681 2.769 1.00 0.00 N ATOM 586 CA GLY A 39 10.421 2.070 2.527 1.00 0.00 C ATOM 587 C GLY A 39 11.315 2.261 1.297 1.00 0.00 C ATOM 588 O GLY A 39 11.070 3.150 0.477 1.00 0.00 O ATOM 0 H GLY A 39 10.027 0.399 3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.533 2.692 2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.954 2.431 3.406 1.00 0.00 H new ATOM 592 N GLU A 40 12.340 1.422 1.170 1.00 0.00 N ATOM 593 CA GLU A 40 13.266 1.462 0.025 1.00 0.00 C ATOM 594 C GLU A 40 12.518 1.366 -1.319 1.00 0.00 C ATOM 595 O GLU A 40 12.437 2.336 -2.083 1.00 0.00 O ATOM 596 CB GLU A 40 14.273 0.303 0.155 1.00 0.00 C ATOM 597 CG GLU A 40 15.168 0.079 -1.064 1.00 0.00 C ATOM 598 CD GLU A 40 16.122 1.230 -1.335 1.00 0.00 C ATOM 599 OE1 GLU A 40 17.025 1.463 -0.509 1.00 0.00 O ATOM 600 OE2 GLU A 40 15.994 1.882 -2.391 1.00 0.00 O ATOM 0 H GLU A 40 12.558 0.695 1.852 1.00 0.00 H new ATOM 0 HA GLU A 40 13.789 2.418 0.037 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.907 0.489 1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 40 13.721 -0.616 0.355 1.00 0.00 H new ATOM 0 HG2 GLU A 40 15.745 -0.834 -0.918 1.00 0.00 H new ATOM 0 HG3 GLU A 40 14.541 -0.077 -1.942 1.00 0.00 H new ATOM 607 N GLN A 41 11.949 0.193 -1.586 1.00 0.00 N ATOM 608 CA GLN A 41 11.281 -0.074 -2.862 1.00 0.00 C ATOM 609 C GLN A 41 9.982 0.739 -3.011 1.00 0.00 C ATOM 610 O GLN A 41 9.490 0.938 -4.122 1.00 0.00 O ATOM 611 CB GLN A 41 10.984 -1.578 -3.015 1.00 0.00 C ATOM 612 CG GLN A 41 12.216 -2.486 -2.908 1.00 0.00 C ATOM 613 CD GLN A 41 12.489 -2.981 -1.492 1.00 0.00 C ATOM 614 OE1 GLN A 41 12.164 -2.324 -0.507 1.00 0.00 O ATOM 615 NE2 GLN A 41 13.096 -4.145 -1.381 1.00 0.00 N ATOM 0 H GLN A 41 11.936 -0.592 -0.935 1.00 0.00 H new ATOM 0 HA GLN A 41 11.962 0.238 -3.654 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.264 -1.872 -2.251 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.509 -1.745 -3.982 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.081 -3.346 -3.565 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.090 -1.943 -3.269 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.354 -4.668 -2.218 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.308 -4.524 -0.458 1.00 0.00 H new ATOM 624 N ALA A 42 9.436 1.208 -1.890 1.00 0.00 N ATOM 625 CA ALA A 42 8.214 2.020 -1.896 1.00 0.00 C ATOM 626 C ALA A 42 8.458 3.391 -2.536 1.00 0.00 C ATOM 627 O ALA A 42 7.793 3.760 -3.504 1.00 0.00 O ATOM 628 CB ALA A 42 7.679 2.185 -0.477 1.00 0.00 C ATOM 0 H ALA A 42 9.821 1.040 -0.960 1.00 0.00 H new ATOM 0 HA ALA A 42 7.469 1.498 -2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.772 2.790 -0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.452 1.205 -0.058 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.430 2.678 0.140 1.00 0.00 H new ATOM 634 N GLN A 43 9.426 4.139 -2.001 1.00 0.00 N ATOM 635 CA GLN A 43 9.769 5.456 -2.551 1.00 0.00 C ATOM 636 C GLN A 43 10.264 5.355 -4.004 1.00 0.00 C ATOM 637 O GLN A 43 9.928 6.197 -4.841 1.00 0.00 O ATOM 638 CB GLN A 43 10.812 6.165 -1.670 1.00 0.00 C ATOM 639 CG GLN A 43 11.464 7.368 -2.350 1.00 0.00 C ATOM 640 CD GLN A 43 12.108 8.351 -1.385 1.00 0.00 C ATOM 641 OE1 GLN A 43 12.526 7.997 -0.289 1.00 0.00 O ATOM 642 NE2 GLN A 43 12.200 9.599 -1.800 1.00 0.00 N ATOM 0 H GLN A 43 9.983 3.860 -1.194 1.00 0.00 H new ATOM 0 HA GLN A 43 8.857 6.053 -2.554 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.334 6.494 -0.747 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.587 5.451 -1.391 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.221 7.011 -3.048 1.00 0.00 H new ATOM 0 HG3 GLN A 43 10.711 7.892 -2.938 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.841 9.859 -2.719 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.630 10.305 -1.202 1.00 0.00 H new ATOM 651 N GLU A 44 11.061 4.328 -4.304 1.00 0.00 N ATOM 652 CA GLU A 44 11.505 4.084 -5.683 1.00 0.00 C ATOM 653 C GLU A 44 10.302 3.875 -6.619 1.00 0.00 C ATOM 654 O GLU A 44 10.138 4.589 -7.611 1.00 0.00 O ATOM 655 CB GLU A 44 12.434 2.862 -5.743 1.00 0.00 C ATOM 656 CG GLU A 44 12.950 2.545 -7.146 1.00 0.00 C ATOM 657 CD GLU A 44 13.929 3.588 -7.674 1.00 0.00 C ATOM 658 OE1 GLU A 44 13.485 4.672 -8.109 1.00 0.00 O ATOM 659 OE2 GLU A 44 15.149 3.320 -7.662 1.00 0.00 O ATOM 0 H GLU A 44 11.411 3.656 -3.621 1.00 0.00 H new ATOM 0 HA GLU A 44 12.056 4.963 -6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.285 3.032 -5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.901 1.993 -5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.438 1.570 -7.135 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.104 2.471 -7.829 1.00 0.00 H new ATOM 666 N THR A 45 9.456 2.899 -6.285 1.00 0.00 N ATOM 667 CA THR A 45 8.229 2.635 -7.053 1.00 0.00 C ATOM 668 C THR A 45 7.352 3.892 -7.144 1.00 0.00 C ATOM 669 O THR A 45 6.692 4.129 -8.152 1.00 0.00 O ATOM 670 CB THR A 45 7.403 1.476 -6.429 1.00 0.00 C ATOM 671 OG1 THR A 45 8.168 0.258 -6.457 1.00 0.00 O ATOM 672 CG2 THR A 45 6.083 1.258 -7.167 1.00 0.00 C ATOM 0 H THR A 45 9.594 2.276 -5.489 1.00 0.00 H new ATOM 0 HA THR A 45 8.541 2.342 -8.056 1.00 0.00 H new ATOM 0 HB THR A 45 7.176 1.753 -5.400 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.759 0.225 -5.676 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.536 0.439 -6.700 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.485 2.168 -7.119 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.285 1.011 -8.209 1.00 0.00 H new ATOM 680 N ALA A 46 7.366 4.701 -6.088 1.00 0.00 N ATOM 681 CA ALA A 46 6.620 5.960 -6.067 1.00 0.00 C ATOM 682 C ALA A 46 7.138 6.944 -7.131 1.00 0.00 C ATOM 683 O ALA A 46 6.357 7.496 -7.901 1.00 0.00 O ATOM 684 CB ALA A 46 6.691 6.590 -4.680 1.00 0.00 C ATOM 0 H ALA A 46 7.887 4.508 -5.232 1.00 0.00 H new ATOM 0 HA ALA A 46 5.580 5.736 -6.304 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.132 7.526 -4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.260 5.907 -3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.732 6.788 -4.423 1.00 0.00 H new ATOM 690 N ALA A 47 8.455 7.150 -7.177 1.00 0.00 N ATOM 691 CA ALA A 47 9.069 8.055 -8.160 1.00 0.00 C ATOM 692 C ALA A 47 8.851 7.567 -9.606 1.00 0.00 C ATOM 693 O ALA A 47 8.725 8.369 -10.537 1.00 0.00 O ATOM 694 CB ALA A 47 10.560 8.199 -7.870 1.00 0.00 C ATOM 0 H ALA A 47 9.121 6.704 -6.546 1.00 0.00 H new ATOM 0 HA ALA A 47 8.584 9.027 -8.068 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.010 8.871 -8.601 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.698 8.608 -6.869 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.039 7.222 -7.932 1.00 0.00 H new ATOM 700 N LYS A 48 8.815 6.246 -9.779 1.00 0.00 N ATOM 701 CA LYS A 48 8.621 5.624 -11.087 1.00 0.00 C ATOM 702 C LYS A 48 7.149 5.675 -11.549 1.00 0.00 C ATOM 703 O LYS A 48 6.849 6.137 -12.649 1.00 0.00 O ATOM 704 CB LYS A 48 9.097 4.168 -11.016 1.00 0.00 C ATOM 705 CG LYS A 48 10.590 4.016 -10.735 1.00 0.00 C ATOM 706 CD LYS A 48 10.975 2.570 -10.423 1.00 0.00 C ATOM 707 CE LYS A 48 10.666 1.624 -11.578 1.00 0.00 C ATOM 708 NZ LYS A 48 11.061 0.223 -11.267 1.00 0.00 N ATOM 0 H LYS A 48 8.920 5.577 -9.016 1.00 0.00 H new ATOM 0 HA LYS A 48 9.203 6.184 -11.819 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.537 3.651 -10.237 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.863 3.674 -11.959 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.158 4.363 -11.598 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.866 4.653 -9.895 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.039 2.522 -10.192 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.441 2.239 -9.533 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.600 1.660 -11.802 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.191 1.959 -12.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.835 -0.389 -12.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.083 0.184 -11.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.541 -0.106 -10.428 1.00 0.00 H new ATOM 722 N TRP A 49 6.240 5.197 -10.701 1.00 0.00 N ATOM 723 CA TRP A 49 4.817 5.068 -11.060 1.00 0.00 C ATOM 724 C TRP A 49 4.021 6.351 -10.743 1.00 0.00 C ATOM 725 O TRP A 49 3.190 6.791 -11.537 1.00 0.00 O ATOM 726 CB TRP A 49 4.196 3.874 -10.312 1.00 0.00 C ATOM 727 CG TRP A 49 4.819 2.543 -10.647 1.00 0.00 C ATOM 728 CD1 TRP A 49 6.146 2.224 -10.617 1.00 0.00 C ATOM 729 CD2 TRP A 49 4.130 1.346 -11.035 1.00 0.00 C ATOM 730 NE1 TRP A 49 6.327 0.912 -10.976 1.00 0.00 N ATOM 731 CE2 TRP A 49 5.105 0.351 -11.237 1.00 0.00 C ATOM 732 CE3 TRP A 49 2.784 1.021 -11.235 1.00 0.00 C ATOM 733 CZ2 TRP A 49 4.777 -0.946 -11.628 1.00 0.00 C ATOM 734 CZ3 TRP A 49 2.460 -0.266 -11.624 1.00 0.00 C ATOM 735 CH2 TRP A 49 3.454 -1.236 -11.817 1.00 0.00 C ATOM 0 H TRP A 49 6.459 4.889 -9.754 1.00 0.00 H new ATOM 0 HA TRP A 49 4.763 4.903 -12.136 1.00 0.00 H new ATOM 0 HB2 TRP A 49 4.286 4.045 -9.239 1.00 0.00 H new ATOM 0 HB3 TRP A 49 3.131 3.831 -10.539 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.939 2.906 -10.349 1.00 0.00 H new ATOM 0 HE1 TRP A 49 7.225 0.433 -11.038 1.00 0.00 H new ATOM 0 HE3 TRP A 49 2.012 1.762 -11.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 5.540 -1.695 -11.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 1.424 -0.528 -11.782 1.00 0.00 H new ATOM 0 HH2 TRP A 49 3.169 -2.232 -12.121 1.00 0.00 H new ATOM 746 N PHE A 50 4.287 6.947 -9.584 1.00 0.00 N ATOM 747 CA PHE A 50 3.548 8.128 -9.114 1.00 0.00 C ATOM 748 C PHE A 50 4.460 9.364 -9.086 1.00 0.00 C ATOM 749 O PHE A 50 4.600 10.030 -8.059 1.00 0.00 O ATOM 750 CB PHE A 50 2.964 7.856 -7.714 1.00 0.00 C ATOM 751 CG PHE A 50 1.941 6.746 -7.692 1.00 0.00 C ATOM 752 CD1 PHE A 50 0.609 7.006 -7.988 1.00 0.00 C ATOM 753 CD2 PHE A 50 2.312 5.443 -7.388 1.00 0.00 C ATOM 754 CE1 PHE A 50 -0.329 5.991 -7.976 1.00 0.00 C ATOM 755 CE2 PHE A 50 1.378 4.425 -7.377 1.00 0.00 C ATOM 756 CZ PHE A 50 0.057 4.699 -7.674 1.00 0.00 C ATOM 0 H PHE A 50 5.015 6.632 -8.943 1.00 0.00 H new ATOM 0 HA PHE A 50 2.730 8.328 -9.806 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.777 7.603 -7.033 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.505 8.770 -7.337 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.303 8.013 -8.230 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.344 5.222 -7.157 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.363 6.207 -8.202 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.680 3.416 -7.137 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.674 3.904 -7.670 1.00 0.00 H new ATOM 766 N ARG A 51 5.041 9.686 -10.243 1.00 0.00 N ATOM 767 CA ARG A 51 6.066 10.740 -10.352 1.00 0.00 C ATOM 768 C ARG A 51 5.566 12.135 -9.918 1.00 0.00 C ATOM 769 O ARG A 51 6.338 13.093 -9.897 1.00 0.00 O ATOM 770 CB ARG A 51 6.599 10.813 -11.793 1.00 0.00 C ATOM 771 CG ARG A 51 5.678 11.534 -12.785 1.00 0.00 C ATOM 772 CD ARG A 51 4.410 10.745 -13.097 1.00 0.00 C ATOM 773 NE ARG A 51 4.702 9.503 -13.810 1.00 0.00 N ATOM 774 CZ ARG A 51 3.803 8.628 -14.165 1.00 0.00 C ATOM 775 NH1 ARG A 51 2.550 8.835 -13.919 1.00 0.00 N ATOM 776 NH2 ARG A 51 4.163 7.556 -14.794 1.00 0.00 N ATOM 0 H ARG A 51 4.820 9.230 -11.129 1.00 0.00 H new ATOM 0 HA ARG A 51 6.863 10.460 -9.663 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.565 11.318 -11.783 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.774 9.799 -12.152 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.404 12.507 -12.377 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.223 11.718 -13.711 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.887 10.516 -12.168 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.739 11.359 -13.698 1.00 0.00 H new ATOM 0 HE ARG A 51 5.675 9.308 -14.046 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.258 9.689 -13.443 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.854 8.144 -14.201 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.147 7.398 -15.010 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.463 6.869 -15.073 1.00 0.00 H new ATOM 790 N GLY A 52 4.282 12.258 -9.593 1.00 0.00 N ATOM 791 CA GLY A 52 3.746 13.545 -9.162 1.00 0.00 C ATOM 792 C GLY A 52 2.293 13.757 -9.559 1.00 0.00 C ATOM 793 O GLY A 52 1.998 14.529 -10.469 1.00 0.00 O ATOM 0 H GLY A 52 3.604 11.497 -9.619 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.834 13.622 -8.078 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.352 14.344 -9.589 1.00 0.00 H new ATOM 797 N GLN A 53 1.377 13.069 -8.878 1.00 0.00 N ATOM 798 CA GLN A 53 -0.062 13.230 -9.140 1.00 0.00 C ATOM 799 C GLN A 53 -0.745 14.003 -8.003 1.00 0.00 C ATOM 800 O GLN A 53 -1.948 13.873 -7.769 1.00 0.00 O ATOM 801 CB GLN A 53 -0.716 11.855 -9.347 1.00 0.00 C ATOM 802 CG GLN A 53 -0.069 11.043 -10.466 1.00 0.00 C ATOM 803 CD GLN A 53 -0.720 9.684 -10.679 1.00 0.00 C ATOM 804 OE1 GLN A 53 -1.259 9.083 -9.755 1.00 0.00 O ATOM 805 NE2 GLN A 53 -0.664 9.184 -11.897 1.00 0.00 N ATOM 0 H GLN A 53 1.599 12.397 -8.144 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.187 13.813 -10.053 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.659 11.289 -8.417 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.774 11.993 -9.572 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.120 11.612 -11.394 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.987 10.900 -10.238 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.209 9.709 -12.643 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.076 8.272 -12.093 1.00 0.00 H new ATOM 814 N ALA A 54 0.050 14.824 -7.322 1.00 0.00 N ATOM 815 CA ALA A 54 -0.423 15.714 -6.252 1.00 0.00 C ATOM 816 C ALA A 54 -0.976 14.966 -5.024 1.00 0.00 C ATOM 817 O ALA A 54 -0.287 14.826 -4.012 1.00 0.00 O ATOM 818 CB ALA A 54 -1.460 16.691 -6.798 1.00 0.00 C ATOM 0 H ALA A 54 1.053 14.895 -7.495 1.00 0.00 H new ATOM 0 HA ALA A 54 0.450 16.263 -5.900 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.802 17.344 -5.996 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.012 17.292 -7.589 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.307 16.135 -7.200 1.00 0.00 H new ATOM 824 N ASN A 55 -2.211 14.475 -5.126 1.00 0.00 N ATOM 825 CA ASN A 55 -2.920 13.884 -3.984 1.00 0.00 C ATOM 826 C ASN A 55 -2.529 12.417 -3.783 1.00 0.00 C ATOM 827 O ASN A 55 -3.345 11.505 -3.933 1.00 0.00 O ATOM 828 CB ASN A 55 -4.436 14.018 -4.179 1.00 0.00 C ATOM 829 CG ASN A 55 -4.859 15.461 -4.375 1.00 0.00 C ATOM 830 OD1 ASN A 55 -4.906 15.959 -5.495 1.00 0.00 O ATOM 831 ND2 ASN A 55 -5.164 16.145 -3.291 1.00 0.00 N ATOM 0 H ASN A 55 -2.747 14.474 -5.994 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.630 14.428 -3.085 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.744 13.430 -5.043 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.951 13.604 -3.312 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.450 17.121 -3.368 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.114 15.699 -2.375 1.00 0.00 H new ATOM 838 N LEU A 56 -1.258 12.206 -3.483 1.00 0.00 N ATOM 839 CA LEU A 56 -0.729 10.866 -3.210 1.00 0.00 C ATOM 840 C LEU A 56 -0.859 10.498 -1.722 1.00 0.00 C ATOM 841 O LEU A 56 -0.625 11.325 -0.838 1.00 0.00 O ATOM 842 CB LEU A 56 0.741 10.779 -3.649 1.00 0.00 C ATOM 843 CG LEU A 56 1.007 11.157 -5.117 1.00 0.00 C ATOM 844 CD1 LEU A 56 2.468 10.925 -5.486 1.00 0.00 C ATOM 845 CD2 LEU A 56 0.083 10.384 -6.054 1.00 0.00 C ATOM 0 H LEU A 56 -0.562 12.949 -3.420 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.320 10.151 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.335 11.432 -3.009 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.094 9.761 -3.482 1.00 0.00 H new ATOM 0 HG LEU A 56 0.795 12.220 -5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.628 11.200 -6.528 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.106 11.536 -4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.716 9.873 -5.346 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.290 10.668 -7.086 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.253 9.314 -5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.955 10.616 -5.815 1.00 0.00 H new ATOM 857 N VAL A 57 -1.238 9.249 -1.458 1.00 0.00 N ATOM 858 CA VAL A 57 -1.377 8.738 -0.088 1.00 0.00 C ATOM 859 C VAL A 57 -0.501 7.490 0.117 1.00 0.00 C ATOM 860 O VAL A 57 -0.363 6.660 -0.783 1.00 0.00 O ATOM 861 CB VAL A 57 -2.857 8.390 0.237 1.00 0.00 C ATOM 862 CG1 VAL A 57 -3.004 7.881 1.673 1.00 0.00 C ATOM 863 CG2 VAL A 57 -3.763 9.599 -0.003 1.00 0.00 C ATOM 0 H VAL A 57 -1.457 8.563 -2.180 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.047 9.526 0.589 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.167 7.590 -0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.050 7.646 1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.399 6.984 1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.668 8.650 2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.794 9.333 0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.447 10.423 0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.695 9.903 -1.047 1.00 0.00 H new ATOM 873 N LEU A 58 0.101 7.368 1.297 1.00 0.00 N ATOM 874 CA LEU A 58 0.952 6.219 1.622 1.00 0.00 C ATOM 875 C LEU A 58 0.266 5.313 2.659 1.00 0.00 C ATOM 876 O LEU A 58 0.028 5.721 3.796 1.00 0.00 O ATOM 877 CB LEU A 58 2.320 6.721 2.135 1.00 0.00 C ATOM 878 CG LEU A 58 3.397 5.645 2.412 1.00 0.00 C ATOM 879 CD1 LEU A 58 4.791 6.267 2.389 1.00 0.00 C ATOM 880 CD2 LEU A 58 3.165 4.953 3.759 1.00 0.00 C ATOM 0 H LEU A 58 0.017 8.052 2.049 1.00 0.00 H new ATOM 0 HA LEU A 58 1.113 5.624 0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.721 7.423 1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.154 7.280 3.056 1.00 0.00 H new ATOM 0 HG LEU A 58 3.321 4.896 1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.537 5.497 2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.976 6.709 1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.857 7.040 3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.940 4.203 3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.202 5.692 4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.188 4.470 3.756 1.00 0.00 H new ATOM 892 N LEU A 59 -0.056 4.085 2.263 1.00 0.00 N ATOM 893 CA LEU A 59 -0.673 3.117 3.174 1.00 0.00 C ATOM 894 C LEU A 59 0.373 2.459 4.079 1.00 0.00 C ATOM 895 O LEU A 59 1.187 1.654 3.623 1.00 0.00 O ATOM 896 CB LEU A 59 -1.426 2.038 2.386 1.00 0.00 C ATOM 897 CG LEU A 59 -2.525 2.559 1.452 1.00 0.00 C ATOM 898 CD1 LEU A 59 -3.279 1.402 0.799 1.00 0.00 C ATOM 899 CD2 LEU A 59 -3.479 3.480 2.208 1.00 0.00 C ATOM 0 H LEU A 59 0.099 3.734 1.318 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.379 3.661 3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.705 1.474 1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.873 1.340 3.093 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.054 3.138 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.053 1.797 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.584 0.796 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.739 0.786 1.571 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.252 3.840 1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.943 2.930 3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.924 4.329 2.609 1.00 0.00 H new ATOM 911 N ALA A 60 0.350 2.819 5.359 1.00 0.00 N ATOM 912 CA ALA A 60 1.246 2.225 6.352 1.00 0.00 C ATOM 913 C ALA A 60 0.568 1.046 7.062 1.00 0.00 C ATOM 914 O ALA A 60 -0.381 1.232 7.829 1.00 0.00 O ATOM 915 CB ALA A 60 1.683 3.280 7.367 1.00 0.00 C ATOM 0 H ALA A 60 -0.283 3.524 5.737 1.00 0.00 H new ATOM 0 HA ALA A 60 2.129 1.848 5.836 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.349 2.825 8.100 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.206 4.086 6.852 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.806 3.682 7.874 1.00 0.00 H new ATOM 921 N VAL A 61 1.044 -0.167 6.790 1.00 0.00 N ATOM 922 CA VAL A 61 0.469 -1.379 7.386 1.00 0.00 C ATOM 923 C VAL A 61 1.512 -2.148 8.213 1.00 0.00 C ATOM 924 O VAL A 61 2.515 -2.622 7.676 1.00 0.00 O ATOM 925 CB VAL A 61 -0.103 -2.328 6.299 1.00 0.00 C ATOM 926 CG1 VAL A 61 -0.787 -3.537 6.941 1.00 0.00 C ATOM 927 CG2 VAL A 61 -1.065 -1.583 5.373 1.00 0.00 C ATOM 0 H VAL A 61 1.827 -0.341 6.160 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.338 -1.050 8.040 1.00 0.00 H new ATOM 0 HB VAL A 61 0.729 -2.691 5.695 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.181 -4.189 6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.064 -4.087 7.543 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.605 -3.197 7.577 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.452 -2.270 4.621 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.893 -1.180 5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.537 -0.766 4.881 1.00 0.00 H new ATOM 937 N GLU A 62 1.279 -2.263 9.519 1.00 0.00 N ATOM 938 CA GLU A 62 2.165 -3.044 10.386 1.00 0.00 C ATOM 939 C GLU A 62 1.868 -4.548 10.262 1.00 0.00 C ATOM 940 O GLU A 62 0.883 -5.058 10.799 1.00 0.00 O ATOM 941 CB GLU A 62 2.044 -2.577 11.849 1.00 0.00 C ATOM 942 CG GLU A 62 0.631 -2.657 12.422 1.00 0.00 C ATOM 943 CD GLU A 62 0.519 -2.038 13.806 1.00 0.00 C ATOM 944 OE1 GLU A 62 0.544 -0.791 13.908 1.00 0.00 O ATOM 945 OE2 GLU A 62 0.407 -2.789 14.796 1.00 0.00 O ATOM 0 H GLU A 62 0.491 -1.829 9.999 1.00 0.00 H new ATOM 0 HA GLU A 62 3.192 -2.878 10.061 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.708 -3.182 12.467 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.393 -1.547 11.919 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.059 -2.152 11.746 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.322 -3.701 12.470 1.00 0.00 H new ATOM 952 N ALA A 63 2.724 -5.257 9.537 1.00 0.00 N ATOM 953 CA ALA A 63 2.563 -6.700 9.326 1.00 0.00 C ATOM 954 C ALA A 63 2.992 -7.517 10.556 1.00 0.00 C ATOM 955 O ALA A 63 3.612 -8.577 10.430 1.00 0.00 O ATOM 956 CB ALA A 63 3.364 -7.124 8.106 1.00 0.00 C ATOM 0 H ALA A 63 3.544 -4.858 9.080 1.00 0.00 H new ATOM 0 HA ALA A 63 1.504 -6.900 9.163 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.246 -8.196 7.948 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.004 -6.586 7.229 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.418 -6.895 8.265 1.00 0.00 H new ATOM 962 N GLU A 64 2.646 -7.030 11.743 1.00 0.00 N ATOM 963 CA GLU A 64 2.990 -7.715 12.985 1.00 0.00 C ATOM 964 C GLU A 64 2.073 -8.942 13.209 1.00 0.00 C ATOM 965 O GLU A 64 2.557 -10.023 13.564 1.00 0.00 O ATOM 966 CB GLU A 64 2.921 -6.738 14.175 1.00 0.00 C ATOM 967 CG GLU A 64 3.738 -7.182 15.384 1.00 0.00 C ATOM 968 CD GLU A 64 5.237 -7.198 15.102 1.00 0.00 C ATOM 969 OE1 GLU A 64 5.880 -6.133 15.218 1.00 0.00 O ATOM 970 OE2 GLU A 64 5.775 -8.272 14.753 1.00 0.00 O ATOM 0 H GLU A 64 2.126 -6.162 11.872 1.00 0.00 H new ATOM 0 HA GLU A 64 4.014 -8.080 12.908 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.273 -5.759 13.850 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.880 -6.619 14.475 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.536 -6.513 16.220 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.418 -8.179 15.688 1.00 0.00 H new ATOM 977 N PRO A 65 0.733 -8.807 13.021 1.00 0.00 N ATOM 978 CA PRO A 65 -0.175 -9.957 13.017 1.00 0.00 C ATOM 979 C PRO A 65 -0.236 -10.648 11.649 1.00 0.00 C ATOM 980 O PRO A 65 0.672 -10.515 10.826 1.00 0.00 O ATOM 981 CB PRO A 65 -1.523 -9.308 13.343 1.00 0.00 C ATOM 982 CG PRO A 65 -1.443 -8.002 12.640 1.00 0.00 C ATOM 983 CD PRO A 65 -0.023 -7.543 12.849 1.00 0.00 C ATOM 0 HA PRO A 65 0.134 -10.737 13.713 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.358 -9.909 12.984 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.661 -9.181 14.417 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.673 -8.108 11.580 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.155 -7.287 13.051 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.342 -6.971 11.996 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.065 -6.901 13.725 1.00 0.00 H new ATOM 991 N LEU A 66 -1.336 -11.359 11.427 1.00 0.00 N ATOM 992 CA LEU A 66 -1.588 -12.144 10.202 1.00 0.00 C ATOM 993 C LEU A 66 -0.641 -13.352 10.084 1.00 0.00 C ATOM 994 O LEU A 66 -1.079 -14.496 9.958 1.00 0.00 O ATOM 995 CB LEU A 66 -1.486 -11.260 8.946 1.00 0.00 C ATOM 996 CG LEU A 66 -2.499 -10.101 8.870 1.00 0.00 C ATOM 997 CD1 LEU A 66 -2.300 -9.287 7.592 1.00 0.00 C ATOM 998 CD2 LEU A 66 -3.932 -10.628 8.962 1.00 0.00 C ATOM 0 H LEU A 66 -2.099 -11.413 12.101 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.605 -12.528 10.277 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.480 -10.844 8.895 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.615 -11.891 8.067 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.324 -9.441 9.720 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.026 -8.475 7.561 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.292 -8.873 7.578 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.440 -9.932 6.724 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.631 -9.793 8.906 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.121 -11.315 8.137 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.067 -11.152 9.908 1.00 0.00 H new ATOM 1010 N GLY A 67 0.652 -13.087 10.136 1.00 0.00 N ATOM 1011 CA GLY A 67 1.655 -14.139 10.037 1.00 0.00 C ATOM 1012 C GLY A 67 1.809 -14.716 8.630 1.00 0.00 C ATOM 1013 O GLY A 67 2.404 -14.090 7.751 1.00 0.00 O ATOM 0 H GLY A 67 1.036 -12.149 10.247 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.616 -13.743 10.364 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.392 -14.944 10.723 1.00 0.00 H new ATOM 1017 N GLU A 68 1.245 -15.904 8.411 1.00 0.00 N ATOM 1018 CA GLU A 68 1.453 -16.655 7.162 1.00 0.00 C ATOM 1019 C GLU A 68 0.765 -15.994 5.957 1.00 0.00 C ATOM 1020 O GLU A 68 1.045 -16.339 4.804 1.00 0.00 O ATOM 1021 CB GLU A 68 0.952 -18.101 7.318 1.00 0.00 C ATOM 1022 CG GLU A 68 1.694 -18.922 8.378 1.00 0.00 C ATOM 1023 CD GLU A 68 1.513 -18.389 9.793 1.00 0.00 C ATOM 1024 OE1 GLU A 68 0.359 -18.335 10.272 1.00 0.00 O ATOM 1025 OE2 GLU A 68 2.520 -18.030 10.439 1.00 0.00 O ATOM 0 H GLU A 68 0.637 -16.373 9.083 1.00 0.00 H new ATOM 0 HA GLU A 68 2.526 -16.655 6.968 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.108 -18.079 7.571 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.040 -18.608 6.357 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.344 -19.953 8.339 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.757 -18.937 8.137 1.00 0.00 H new ATOM 1032 N ASP A 69 -0.129 -15.047 6.223 1.00 0.00 N ATOM 1033 CA ASP A 69 -0.837 -14.324 5.161 1.00 0.00 C ATOM 1034 C ASP A 69 0.109 -13.427 4.344 1.00 0.00 C ATOM 1035 O ASP A 69 -0.224 -13.002 3.234 1.00 0.00 O ATOM 1036 CB ASP A 69 -1.964 -13.486 5.768 1.00 0.00 C ATOM 1037 CG ASP A 69 -2.987 -14.348 6.483 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -3.590 -15.213 5.825 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -3.203 -14.164 7.698 1.00 0.00 O ATOM 0 H ASP A 69 -0.384 -14.758 7.167 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.255 -15.063 4.478 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.543 -12.765 6.469 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.457 -12.915 4.981 1.00 0.00 H new ATOM 1044 N LEU A 70 1.284 -13.145 4.900 1.00 0.00 N ATOM 1045 CA LEU A 70 2.290 -12.318 4.228 1.00 0.00 C ATOM 1046 C LEU A 70 3.620 -13.072 4.094 1.00 0.00 C ATOM 1047 O LEU A 70 3.954 -13.919 4.926 1.00 0.00 O ATOM 1048 CB LEU A 70 2.529 -11.022 5.020 1.00 0.00 C ATOM 1049 CG LEU A 70 3.549 -10.050 4.393 1.00 0.00 C ATOM 1050 CD1 LEU A 70 2.936 -9.279 3.225 1.00 0.00 C ATOM 1051 CD2 LEU A 70 4.111 -9.097 5.440 1.00 0.00 C ATOM 0 H LEU A 70 1.567 -13.479 5.821 1.00 0.00 H new ATOM 0 HA LEU A 70 1.913 -12.079 3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.577 -10.503 5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.869 -11.284 6.022 1.00 0.00 H new ATOM 0 HG LEU A 70 4.374 -10.645 4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.680 -8.603 2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.609 -9.981 2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.081 -8.703 3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.828 -8.423 4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.299 -8.516 5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.610 -9.669 6.222 1.00 0.00 H new ATOM 1063 N LYS A 71 4.376 -12.766 3.044 1.00 0.00 N ATOM 1064 CA LYS A 71 5.739 -13.282 2.907 1.00 0.00 C ATOM 1065 C LYS A 71 6.634 -12.297 2.143 1.00 0.00 C ATOM 1066 O LYS A 71 6.279 -11.828 1.056 1.00 0.00 O ATOM 1067 CB LYS A 71 5.752 -14.654 2.208 1.00 0.00 C ATOM 1068 CG LYS A 71 7.147 -15.274 2.132 1.00 0.00 C ATOM 1069 CD LYS A 71 7.144 -16.707 1.593 1.00 0.00 C ATOM 1070 CE LYS A 71 6.844 -16.789 0.096 1.00 0.00 C ATOM 1071 NZ LYS A 71 5.400 -16.618 -0.208 1.00 0.00 N ATOM 0 H LYS A 71 4.072 -12.166 2.277 1.00 0.00 H new ATOM 0 HA LYS A 71 6.137 -13.403 3.914 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.087 -15.333 2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.354 -14.545 1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.778 -14.655 1.495 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.594 -15.268 3.126 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.115 -17.163 1.788 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.402 -17.291 2.138 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.415 -16.022 -0.428 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.180 -17.753 -0.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.099 -17.347 -0.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.847 -16.711 0.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.241 -15.676 -0.619 1.00 0.00 H new ATOM 1085 N TRP A 72 7.787 -11.972 2.724 1.00 0.00 N ATOM 1086 CA TRP A 72 8.788 -11.157 2.036 1.00 0.00 C ATOM 1087 C TRP A 72 9.456 -11.994 0.939 1.00 0.00 C ATOM 1088 O TRP A 72 10.479 -12.637 1.158 1.00 0.00 O ATOM 1089 CB TRP A 72 9.827 -10.618 3.030 1.00 0.00 C ATOM 1090 CG TRP A 72 9.240 -9.700 4.068 1.00 0.00 C ATOM 1091 CD1 TRP A 72 8.443 -10.052 5.120 1.00 0.00 C ATOM 1092 CD2 TRP A 72 9.409 -8.279 4.156 1.00 0.00 C ATOM 1093 NE1 TRP A 72 8.101 -8.941 5.850 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.682 -7.839 5.279 1.00 0.00 C ATOM 1095 CE3 TRP A 72 10.102 -7.338 3.392 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 8.629 -6.499 5.656 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 10.051 -6.008 3.766 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.318 -5.598 4.889 1.00 0.00 C ATOM 0 H TRP A 72 8.051 -12.259 3.666 1.00 0.00 H new ATOM 0 HA TRP A 72 8.299 -10.298 1.577 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.311 -11.457 3.530 1.00 0.00 H new ATOM 0 HB3 TRP A 72 10.602 -10.084 2.480 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.127 -11.060 5.345 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.511 -8.936 6.682 1.00 0.00 H new ATOM 0 HE3 TRP A 72 10.668 -7.644 2.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.065 -6.183 6.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.585 -5.272 3.183 1.00 0.00 H new ATOM 0 HH2 TRP A 72 9.297 -4.551 5.154 1.00 0.00 H new ATOM 1109 N GLU A 73 8.837 -11.997 -0.231 1.00 0.00 N ATOM 1110 CA GLU A 73 9.200 -12.912 -1.313 1.00 0.00 C ATOM 1111 C GLU A 73 10.341 -12.355 -2.178 1.00 0.00 C ATOM 1112 O GLU A 73 10.283 -11.218 -2.652 1.00 0.00 O ATOM 1113 CB GLU A 73 7.950 -13.181 -2.156 1.00 0.00 C ATOM 1114 CG GLU A 73 8.122 -14.233 -3.241 1.00 0.00 C ATOM 1115 CD GLU A 73 6.796 -14.633 -3.872 1.00 0.00 C ATOM 1116 OE1 GLU A 73 5.796 -13.904 -3.683 1.00 0.00 O ATOM 1117 OE2 GLU A 73 6.743 -15.690 -4.535 1.00 0.00 O ATOM 0 H GLU A 73 8.069 -11.367 -0.462 1.00 0.00 H new ATOM 0 HA GLU A 73 9.569 -13.844 -0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.143 -13.493 -1.493 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.637 -12.247 -2.623 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.789 -13.850 -4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.601 -15.115 -2.816 1.00 0.00 H new ATOM 1124 N ALA A 74 11.376 -13.166 -2.382 1.00 0.00 N ATOM 1125 CA ALA A 74 12.569 -12.740 -3.120 1.00 0.00 C ATOM 1126 C ALA A 74 12.346 -12.705 -4.639 1.00 0.00 C ATOM 1127 O ALA A 74 11.534 -13.453 -5.188 1.00 0.00 O ATOM 1128 CB ALA A 74 13.739 -13.656 -2.789 1.00 0.00 C ATOM 0 H ALA A 74 11.415 -14.128 -2.046 1.00 0.00 H new ATOM 0 HA ALA A 74 12.792 -11.721 -2.805 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.622 -13.333 -3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.944 -13.612 -1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.490 -14.680 -3.069 1.00 0.00 H new ATOM 1134 N SER A 75 13.091 -11.834 -5.313 1.00 0.00 N ATOM 1135 CA SER A 75 13.040 -11.733 -6.779 1.00 0.00 C ATOM 1136 C SER A 75 14.455 -11.746 -7.382 1.00 0.00 C ATOM 1137 O SER A 75 15.451 -11.851 -6.658 1.00 0.00 O ATOM 1138 CB SER A 75 12.291 -10.456 -7.201 1.00 0.00 C ATOM 1139 OG SER A 75 12.160 -10.369 -8.615 1.00 0.00 O ATOM 0 H SER A 75 13.741 -11.184 -4.871 1.00 0.00 H new ATOM 0 HA SER A 75 12.501 -12.600 -7.160 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.302 -10.445 -6.742 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.825 -9.581 -6.830 1.00 0.00 H new ATOM 0 HG SER A 75 11.679 -9.548 -8.849 1.00 0.00 H new ATOM 1145 N ARG A 76 14.534 -11.631 -8.708 1.00 0.00 N ATOM 1146 CA ARG A 76 15.809 -11.673 -9.439 1.00 0.00 C ATOM 1147 C ARG A 76 16.801 -10.618 -8.914 1.00 0.00 C ATOM 1148 O ARG A 76 16.673 -9.427 -9.206 1.00 0.00 O ATOM 1149 CB ARG A 76 15.539 -11.445 -10.934 1.00 0.00 C ATOM 1150 CG ARG A 76 16.738 -11.682 -11.849 1.00 0.00 C ATOM 1151 CD ARG A 76 17.185 -13.145 -11.849 1.00 0.00 C ATOM 1152 NE ARG A 76 17.781 -13.525 -13.129 1.00 0.00 N ATOM 1153 CZ ARG A 76 18.655 -14.480 -13.293 1.00 0.00 C ATOM 1154 NH1 ARG A 76 19.135 -15.128 -12.279 1.00 0.00 N ATOM 1155 NH2 ARG A 76 19.058 -14.777 -14.485 1.00 0.00 N ATOM 0 H ARG A 76 13.719 -11.506 -9.309 1.00 0.00 H new ATOM 0 HA ARG A 76 16.262 -12.652 -9.285 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.727 -12.102 -11.246 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.191 -10.421 -11.073 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.482 -11.382 -12.865 1.00 0.00 H new ATOM 0 HG3 ARG A 76 17.567 -11.051 -11.529 1.00 0.00 H new ATOM 0 HD2 ARG A 76 17.907 -13.305 -11.049 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.330 -13.788 -11.640 1.00 0.00 H new ATOM 0 HE ARG A 76 17.492 -13.004 -13.957 1.00 0.00 H new ATOM 0 HH11 ARG A 76 18.830 -14.895 -11.334 1.00 0.00 H new ATOM 0 HH12 ARG A 76 19.817 -15.872 -12.426 1.00 0.00 H new ATOM 0 HH21 ARG A 76 18.693 -14.266 -15.289 1.00 0.00 H new ATOM 0 HH22 ARG A 76 19.741 -15.522 -14.622 1.00 0.00 H new ATOM 1169 N GLY A 77 17.783 -11.064 -8.134 1.00 0.00 N ATOM 1170 CA GLY A 77 18.770 -10.154 -7.553 1.00 0.00 C ATOM 1171 C GLY A 77 18.938 -10.342 -6.046 1.00 0.00 C ATOM 1172 O GLY A 77 19.922 -9.890 -5.459 1.00 0.00 O ATOM 0 H GLY A 77 17.917 -12.045 -7.890 1.00 0.00 H new ATOM 0 HA2 GLY A 77 19.732 -10.308 -8.043 1.00 0.00 H new ATOM 0 HA3 GLY A 77 18.471 -9.125 -7.755 1.00 0.00 H new ATOM 1176 N GLY A 78 17.973 -11.017 -5.419 1.00 0.00 N ATOM 1177 CA GLY A 78 18.032 -11.259 -3.977 1.00 0.00 C ATOM 1178 C GLY A 78 17.194 -10.273 -3.163 1.00 0.00 C ATOM 1179 O GLY A 78 17.113 -10.379 -1.935 1.00 0.00 O ATOM 0 H GLY A 78 17.149 -11.402 -5.881 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.689 -12.273 -3.772 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.070 -11.201 -3.648 1.00 0.00 H new ATOM 1183 N ALA A 79 16.577 -9.310 -3.844 1.00 0.00 N ATOM 1184 CA ALA A 79 15.710 -8.322 -3.189 1.00 0.00 C ATOM 1185 C ALA A 79 14.441 -8.972 -2.609 1.00 0.00 C ATOM 1186 O ALA A 79 13.852 -9.860 -3.226 1.00 0.00 O ATOM 1187 CB ALA A 79 15.341 -7.219 -4.175 1.00 0.00 C ATOM 0 H ALA A 79 16.659 -9.189 -4.853 1.00 0.00 H new ATOM 0 HA ALA A 79 16.264 -7.889 -2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 79 14.698 -6.490 -3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 79 16.248 -6.725 -4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.813 -7.652 -5.025 1.00 0.00 H new ATOM 1193 N ARG A 80 14.030 -8.523 -1.423 1.00 0.00 N ATOM 1194 CA ARG A 80 12.867 -9.095 -0.726 1.00 0.00 C ATOM 1195 C ARG A 80 11.630 -8.186 -0.864 1.00 0.00 C ATOM 1196 O ARG A 80 11.597 -7.082 -0.321 1.00 0.00 O ATOM 1197 CB ARG A 80 13.203 -9.293 0.763 1.00 0.00 C ATOM 1198 CG ARG A 80 14.494 -10.074 1.014 1.00 0.00 C ATOM 1199 CD ARG A 80 14.380 -11.551 0.637 1.00 0.00 C ATOM 1200 NE ARG A 80 13.534 -12.297 1.566 1.00 0.00 N ATOM 1201 CZ ARG A 80 13.260 -13.570 1.449 1.00 0.00 C ATOM 1202 NH1 ARG A 80 13.752 -14.267 0.471 1.00 0.00 N ATOM 1203 NH2 ARG A 80 12.508 -14.148 2.327 1.00 0.00 N ATOM 0 H ARG A 80 14.485 -7.762 -0.919 1.00 0.00 H new ATOM 0 HA ARG A 80 12.634 -10.057 -1.183 1.00 0.00 H new ATOM 0 HB2 ARG A 80 13.284 -8.316 1.239 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.376 -9.815 1.245 1.00 0.00 H new ATOM 0 HG2 ARG A 80 15.304 -9.620 0.443 1.00 0.00 H new ATOM 0 HG3 ARG A 80 14.762 -9.993 2.067 1.00 0.00 H new ATOM 0 HD2 ARG A 80 13.972 -11.636 -0.370 1.00 0.00 H new ATOM 0 HD3 ARG A 80 15.375 -11.996 0.617 1.00 0.00 H new ATOM 0 HE ARG A 80 13.132 -11.793 2.356 1.00 0.00 H new ATOM 0 HH11 ARG A 80 14.360 -13.822 -0.217 1.00 0.00 H new ATOM 0 HH12 ARG A 80 13.531 -15.259 0.390 1.00 0.00 H new ATOM 0 HH21 ARG A 80 12.130 -13.611 3.108 1.00 0.00 H new ATOM 0 HH22 ARG A 80 12.292 -15.141 2.239 1.00 0.00 H new ATOM 1217 N PHE A 81 10.621 -8.653 -1.598 1.00 0.00 N ATOM 1218 CA PHE A 81 9.378 -7.892 -1.791 1.00 0.00 C ATOM 1219 C PHE A 81 8.212 -8.511 -0.997 1.00 0.00 C ATOM 1220 O PHE A 81 7.774 -9.627 -1.290 1.00 0.00 O ATOM 1221 CB PHE A 81 9.012 -7.833 -3.282 1.00 0.00 C ATOM 1222 CG PHE A 81 10.020 -7.097 -4.132 1.00 0.00 C ATOM 1223 CD1 PHE A 81 11.088 -7.770 -4.708 1.00 0.00 C ATOM 1224 CD2 PHE A 81 9.894 -5.733 -4.357 1.00 0.00 C ATOM 1225 CE1 PHE A 81 12.008 -7.099 -5.490 1.00 0.00 C ATOM 1226 CE2 PHE A 81 10.814 -5.057 -5.138 1.00 0.00 C ATOM 1227 CZ PHE A 81 11.872 -5.742 -5.705 1.00 0.00 C ATOM 0 H PHE A 81 10.636 -9.556 -2.072 1.00 0.00 H new ATOM 0 HA PHE A 81 9.550 -6.882 -1.420 1.00 0.00 H new ATOM 0 HB2 PHE A 81 8.906 -8.850 -3.660 1.00 0.00 H new ATOM 0 HB3 PHE A 81 8.040 -7.350 -3.389 1.00 0.00 H new ATOM 0 HD1 PHE A 81 11.201 -8.831 -4.543 1.00 0.00 H new ATOM 0 HD2 PHE A 81 9.068 -5.193 -3.917 1.00 0.00 H new ATOM 0 HE1 PHE A 81 12.834 -7.636 -5.933 1.00 0.00 H new ATOM 0 HE2 PHE A 81 10.706 -3.995 -5.304 1.00 0.00 H new ATOM 0 HZ PHE A 81 12.591 -5.216 -6.315 1.00 0.00 H new ATOM 1237 N PRO A 82 7.685 -7.794 0.015 1.00 0.00 N ATOM 1238 CA PRO A 82 6.554 -8.283 0.822 1.00 0.00 C ATOM 1239 C PRO A 82 5.245 -8.378 0.019 1.00 0.00 C ATOM 1240 O PRO A 82 4.600 -7.368 -0.273 1.00 0.00 O ATOM 1241 CB PRO A 82 6.437 -7.241 1.945 1.00 0.00 C ATOM 1242 CG PRO A 82 7.045 -6.003 1.380 1.00 0.00 C ATOM 1243 CD PRO A 82 8.147 -6.464 0.460 1.00 0.00 C ATOM 0 HA PRO A 82 6.724 -9.297 1.184 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.397 -7.078 2.227 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.963 -7.566 2.843 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.303 -5.417 0.837 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.439 -5.365 2.171 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.281 -5.783 -0.380 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.104 -6.523 0.978 1.00 0.00 H new ATOM 1251 N HIS A 83 4.880 -9.600 -0.363 1.00 0.00 N ATOM 1252 CA HIS A 83 3.624 -9.852 -1.074 1.00 0.00 C ATOM 1253 C HIS A 83 2.539 -10.352 -0.110 1.00 0.00 C ATOM 1254 O HIS A 83 2.768 -11.281 0.667 1.00 0.00 O ATOM 1255 CB HIS A 83 3.832 -10.890 -2.188 1.00 0.00 C ATOM 1256 CG HIS A 83 4.639 -10.403 -3.358 1.00 0.00 C ATOM 1257 ND1 HIS A 83 5.736 -11.078 -3.844 1.00 0.00 N ATOM 1258 CD2 HIS A 83 4.466 -9.340 -4.183 1.00 0.00 C ATOM 1259 CE1 HIS A 83 6.202 -10.457 -4.908 1.00 0.00 C ATOM 1260 NE2 HIS A 83 5.450 -9.399 -5.145 1.00 0.00 N ATOM 0 H HIS A 83 5.438 -10.436 -0.192 1.00 0.00 H new ATOM 0 HA HIS A 83 3.299 -8.910 -1.515 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.325 -11.765 -1.763 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.856 -11.217 -2.548 1.00 0.00 H new ATOM 0 HD2 HIS A 83 3.697 -8.586 -4.101 1.00 0.00 H new ATOM 0 HE1 HIS A 83 7.058 -10.763 -5.490 1.00 0.00 H new ATOM 0 HE2 HIS A 83 5.576 -8.737 -5.911 1.00 0.00 H new ATOM 1269 N LEU A 84 1.363 -9.730 -0.159 1.00 0.00 N ATOM 1270 CA LEU A 84 0.222 -10.178 0.650 1.00 0.00 C ATOM 1271 C LEU A 84 -0.676 -11.114 -0.172 1.00 0.00 C ATOM 1272 O LEU A 84 -0.947 -10.852 -1.345 1.00 0.00 O ATOM 1273 CB LEU A 84 -0.588 -8.976 1.164 1.00 0.00 C ATOM 1274 CG LEU A 84 -1.703 -9.327 2.168 1.00 0.00 C ATOM 1275 CD1 LEU A 84 -1.115 -9.909 3.454 1.00 0.00 C ATOM 1276 CD2 LEU A 84 -2.568 -8.108 2.474 1.00 0.00 C ATOM 0 H LEU A 84 1.171 -8.918 -0.746 1.00 0.00 H new ATOM 0 HA LEU A 84 0.605 -10.725 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.096 -8.270 1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.035 -8.466 0.311 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.338 -10.085 1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.922 -10.149 4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.556 -10.815 3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.448 -9.179 3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.347 -8.384 3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.948 -7.320 2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.028 -7.748 1.554 1.00 0.00 H new ATOM 1288 N TYR A 85 -1.135 -12.204 0.442 1.00 0.00 N ATOM 1289 CA TYR A 85 -1.888 -13.238 -0.284 1.00 0.00 C ATOM 1290 C TYR A 85 -3.397 -13.205 0.030 1.00 0.00 C ATOM 1291 O TYR A 85 -4.134 -14.130 -0.318 1.00 0.00 O ATOM 1292 CB TYR A 85 -1.282 -14.615 0.026 1.00 0.00 C ATOM 1293 CG TYR A 85 0.193 -14.696 -0.339 1.00 0.00 C ATOM 1294 CD1 TYR A 85 1.174 -14.258 0.546 1.00 0.00 C ATOM 1295 CD2 TYR A 85 0.603 -15.182 -1.578 1.00 0.00 C ATOM 1296 CE1 TYR A 85 2.512 -14.301 0.208 1.00 0.00 C ATOM 1297 CE2 TYR A 85 1.943 -15.232 -1.918 1.00 0.00 C ATOM 1298 CZ TYR A 85 2.891 -14.788 -1.024 1.00 0.00 C ATOM 1299 OH TYR A 85 4.228 -14.824 -1.363 1.00 0.00 O ATOM 0 H TYR A 85 -1.002 -12.398 1.435 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.802 -13.034 -1.351 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.403 -14.831 1.087 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.831 -15.382 -0.520 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.883 -13.878 1.514 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.137 -15.526 -2.285 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.259 -13.954 0.907 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.244 -15.618 -2.881 1.00 0.00 H new ATOM 0 HH TYR A 85 4.354 -14.405 -2.240 1.00 0.00 H new ATOM 1309 N ARG A 86 -3.851 -12.126 0.671 1.00 0.00 N ATOM 1310 CA ARG A 86 -5.286 -11.892 0.918 1.00 0.00 C ATOM 1311 C ARG A 86 -5.630 -10.400 0.755 1.00 0.00 C ATOM 1312 O ARG A 86 -4.760 -9.545 0.914 1.00 0.00 O ATOM 1313 CB ARG A 86 -5.701 -12.380 2.322 1.00 0.00 C ATOM 1314 CG ARG A 86 -5.630 -13.897 2.488 1.00 0.00 C ATOM 1315 CD ARG A 86 -6.499 -14.404 3.642 1.00 0.00 C ATOM 1316 NE ARG A 86 -5.932 -14.111 4.957 1.00 0.00 N ATOM 1317 CZ ARG A 86 -6.635 -13.986 6.054 1.00 0.00 C ATOM 1318 NH1 ARG A 86 -7.928 -14.063 6.019 1.00 0.00 N ATOM 1319 NH2 ARG A 86 -6.036 -13.792 7.188 1.00 0.00 N ATOM 0 H ARG A 86 -3.244 -11.391 1.034 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.844 -12.466 0.179 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.057 -11.911 3.066 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.719 -12.048 2.527 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.947 -14.375 1.562 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.595 -14.192 2.661 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.488 -13.952 3.570 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.633 -15.481 3.542 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.921 -13.996 5.024 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.406 -14.222 5.132 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.468 -13.964 6.879 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.018 -13.737 7.224 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.583 -13.694 8.043 1.00 0.00 H new ATOM 1333 N PRO A 87 -6.898 -10.063 0.424 1.00 0.00 N ATOM 1334 CA PRO A 87 -7.328 -8.659 0.250 1.00 0.00 C ATOM 1335 C PRO A 87 -7.066 -7.787 1.495 1.00 0.00 C ATOM 1336 O PRO A 87 -7.395 -8.171 2.617 1.00 0.00 O ATOM 1337 CB PRO A 87 -8.840 -8.769 -0.032 1.00 0.00 C ATOM 1338 CG PRO A 87 -9.224 -10.147 0.400 1.00 0.00 C ATOM 1339 CD PRO A 87 -8.007 -11.003 0.179 1.00 0.00 C ATOM 0 HA PRO A 87 -6.769 -8.169 -0.548 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -9.399 -8.014 0.521 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -9.055 -8.614 -1.089 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.524 -10.158 1.448 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -10.071 -10.516 -0.178 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.978 -11.850 0.864 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.977 -11.410 -0.832 1.00 0.00 H new ATOM 1347 N LEU A 88 -6.484 -6.606 1.284 1.00 0.00 N ATOM 1348 CA LEU A 88 -6.120 -5.710 2.390 1.00 0.00 C ATOM 1349 C LEU A 88 -7.340 -4.929 2.916 1.00 0.00 C ATOM 1350 O LEU A 88 -7.820 -3.998 2.270 1.00 0.00 O ATOM 1351 CB LEU A 88 -5.025 -4.733 1.932 1.00 0.00 C ATOM 1352 CG LEU A 88 -4.539 -3.727 2.992 1.00 0.00 C ATOM 1353 CD1 LEU A 88 -3.902 -4.445 4.182 1.00 0.00 C ATOM 1354 CD2 LEU A 88 -3.562 -2.728 2.375 1.00 0.00 C ATOM 0 H LEU A 88 -6.253 -6.245 0.359 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.743 -6.324 3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.168 -5.312 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.398 -4.175 1.073 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.406 -3.178 3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.568 -3.710 4.914 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.635 -5.108 4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.048 -5.030 3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.229 -2.025 3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.701 -3.262 1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.058 -2.183 1.572 1.00 0.00 H new ATOM 1366 N LEU A 89 -7.841 -5.324 4.085 1.00 0.00 N ATOM 1367 CA LEU A 89 -8.960 -4.623 4.732 1.00 0.00 C ATOM 1368 C LEU A 89 -8.570 -3.185 5.115 1.00 0.00 C ATOM 1369 O LEU A 89 -7.607 -2.972 5.852 1.00 0.00 O ATOM 1370 CB LEU A 89 -9.426 -5.383 5.991 1.00 0.00 C ATOM 1371 CG LEU A 89 -10.222 -6.683 5.751 1.00 0.00 C ATOM 1372 CD1 LEU A 89 -11.513 -6.393 4.993 1.00 0.00 C ATOM 1373 CD2 LEU A 89 -9.384 -7.721 5.009 1.00 0.00 C ATOM 0 H LEU A 89 -7.492 -6.127 4.608 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.779 -4.583 4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.547 -5.626 6.589 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.042 -4.710 6.588 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.479 -7.098 6.726 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.059 -7.323 4.834 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.129 -5.705 5.573 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.276 -5.943 4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.975 -8.624 4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.079 -7.319 4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.499 -7.962 5.597 1.00 0.00 H new ATOM 1385 N VAL A 90 -9.330 -2.206 4.626 1.00 0.00 N ATOM 1386 CA VAL A 90 -9.072 -0.792 4.933 1.00 0.00 C ATOM 1387 C VAL A 90 -9.059 -0.529 6.450 1.00 0.00 C ATOM 1388 O VAL A 90 -8.225 0.221 6.955 1.00 0.00 O ATOM 1389 CB VAL A 90 -10.123 0.130 4.254 1.00 0.00 C ATOM 1390 CG1 VAL A 90 -9.969 1.581 4.709 1.00 0.00 C ATOM 1391 CG2 VAL A 90 -10.017 0.030 2.731 1.00 0.00 C ATOM 0 H VAL A 90 -10.131 -2.362 4.014 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.084 -0.560 4.535 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.113 -0.210 4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.719 2.199 4.215 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.104 1.640 5.789 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.974 1.941 4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.760 0.682 2.271 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.020 0.336 2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.196 -0.999 2.421 1.00 0.00 H new ATOM 1401 N SER A 91 -9.967 -1.177 7.175 1.00 0.00 N ATOM 1402 CA SER A 91 -10.085 -0.979 8.631 1.00 0.00 C ATOM 1403 C SER A 91 -8.927 -1.638 9.408 1.00 0.00 C ATOM 1404 O SER A 91 -8.830 -1.496 10.628 1.00 0.00 O ATOM 1405 CB SER A 91 -11.430 -1.529 9.131 1.00 0.00 C ATOM 1406 OG SER A 91 -11.664 -1.202 10.496 1.00 0.00 O ATOM 0 H SER A 91 -10.634 -1.844 6.786 1.00 0.00 H new ATOM 0 HA SER A 91 -10.033 0.094 8.816 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.237 -1.127 8.518 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.447 -2.612 9.009 1.00 0.00 H new ATOM 0 HG SER A 91 -10.814 -1.210 10.984 1.00 0.00 H new ATOM 1412 N GLU A 92 -8.054 -2.356 8.700 1.00 0.00 N ATOM 1413 CA GLU A 92 -6.899 -3.024 9.324 1.00 0.00 C ATOM 1414 C GLU A 92 -5.605 -2.201 9.139 1.00 0.00 C ATOM 1415 O GLU A 92 -4.582 -2.477 9.768 1.00 0.00 O ATOM 1416 CB GLU A 92 -6.728 -4.432 8.721 1.00 0.00 C ATOM 1417 CG GLU A 92 -5.690 -5.307 9.424 1.00 0.00 C ATOM 1418 CD GLU A 92 -6.075 -5.655 10.856 1.00 0.00 C ATOM 1419 OE1 GLU A 92 -7.124 -6.306 11.051 1.00 0.00 O ATOM 1420 OE2 GLU A 92 -5.337 -5.281 11.795 1.00 0.00 O ATOM 0 H GLU A 92 -8.121 -2.493 7.691 1.00 0.00 H new ATOM 0 HA GLU A 92 -7.087 -3.107 10.394 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -7.691 -4.943 8.747 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.448 -4.332 7.672 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -5.555 -6.228 8.856 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.730 -4.791 9.427 1.00 0.00 H new ATOM 1427 N VAL A 93 -5.660 -1.184 8.278 1.00 0.00 N ATOM 1428 CA VAL A 93 -4.491 -0.339 7.996 1.00 0.00 C ATOM 1429 C VAL A 93 -4.116 0.538 9.207 1.00 0.00 C ATOM 1430 O VAL A 93 -4.982 1.137 9.848 1.00 0.00 O ATOM 1431 CB VAL A 93 -4.741 0.564 6.758 1.00 0.00 C ATOM 1432 CG1 VAL A 93 -3.522 1.434 6.456 1.00 0.00 C ATOM 1433 CG2 VAL A 93 -5.119 -0.283 5.541 1.00 0.00 C ATOM 0 H VAL A 93 -6.500 -0.923 7.762 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.659 -1.011 7.786 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.575 1.227 6.987 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.726 2.056 5.584 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.308 2.071 7.314 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.661 0.797 6.254 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.290 0.368 4.684 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.309 -0.976 5.314 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.028 -0.845 5.757 1.00 0.00 H new ATOM 1443 N THR A 94 -2.818 0.611 9.512 1.00 0.00 N ATOM 1444 CA THR A 94 -2.328 1.401 10.652 1.00 0.00 C ATOM 1445 C THR A 94 -2.579 2.897 10.450 1.00 0.00 C ATOM 1446 O THR A 94 -3.115 3.577 11.329 1.00 0.00 O ATOM 1447 CB THR A 94 -0.813 1.181 10.887 1.00 0.00 C ATOM 1448 OG1 THR A 94 -0.541 -0.214 11.071 1.00 0.00 O ATOM 1449 CG2 THR A 94 -0.322 1.961 12.105 1.00 0.00 C ATOM 0 H THR A 94 -2.085 0.134 8.987 1.00 0.00 H new ATOM 0 HA THR A 94 -2.884 1.056 11.524 1.00 0.00 H new ATOM 0 HB THR A 94 -0.282 1.545 10.007 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.372 -0.683 11.295 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.745 1.786 12.243 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.498 3.026 11.950 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.862 1.629 12.992 1.00 0.00 H new ATOM 1457 N ARG A 95 -2.185 3.406 9.286 1.00 0.00 N ATOM 1458 CA ARG A 95 -2.337 4.829 8.976 1.00 0.00 C ATOM 1459 C ARG A 95 -2.400 5.075 7.467 1.00 0.00 C ATOM 1460 O ARG A 95 -1.707 4.424 6.683 1.00 0.00 O ATOM 1461 CB ARG A 95 -1.165 5.629 9.562 1.00 0.00 C ATOM 1462 CG ARG A 95 -1.266 7.141 9.360 1.00 0.00 C ATOM 1463 CD ARG A 95 -2.373 7.752 10.213 1.00 0.00 C ATOM 1464 NE ARG A 95 -2.105 7.614 11.644 1.00 0.00 N ATOM 1465 CZ ARG A 95 -3.014 7.334 12.540 1.00 0.00 C ATOM 1466 NH1 ARG A 95 -4.242 7.110 12.194 1.00 0.00 N ATOM 1467 NH2 ARG A 95 -2.694 7.270 13.789 1.00 0.00 N ATOM 0 H ARG A 95 -1.758 2.856 8.540 1.00 0.00 H new ATOM 0 HA ARG A 95 -3.275 5.158 9.422 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.098 5.421 10.630 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -0.238 5.276 9.110 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -0.313 7.606 9.613 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.457 7.356 8.308 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -2.480 8.808 9.965 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -3.321 7.271 9.974 1.00 0.00 H new ATOM 0 HE ARG A 95 -1.145 7.745 11.964 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -4.510 7.151 11.211 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.941 6.893 12.905 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.730 7.438 14.078 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.405 7.051 14.487 1.00 0.00 H new ATOM 1481 N GLU A 96 -3.226 6.030 7.078 1.00 0.00 N ATOM 1482 CA GLU A 96 -3.263 6.514 5.695 1.00 0.00 C ATOM 1483 C GLU A 96 -2.412 7.789 5.579 1.00 0.00 C ATOM 1484 O GLU A 96 -2.904 8.906 5.728 1.00 0.00 O ATOM 1485 CB GLU A 96 -4.713 6.761 5.231 1.00 0.00 C ATOM 1486 CG GLU A 96 -5.523 7.684 6.143 1.00 0.00 C ATOM 1487 CD GLU A 96 -6.911 7.987 5.594 1.00 0.00 C ATOM 1488 OE1 GLU A 96 -7.012 8.765 4.619 1.00 0.00 O ATOM 1489 OE2 GLU A 96 -7.907 7.456 6.131 1.00 0.00 O ATOM 0 H GLU A 96 -3.888 6.494 7.700 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.845 5.751 5.038 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.692 7.189 4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.226 5.802 5.158 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.619 7.223 7.126 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.980 8.619 6.281 1.00 0.00 H new ATOM 1496 N ALA A 97 -1.116 7.612 5.349 1.00 0.00 N ATOM 1497 CA ALA A 97 -0.165 8.723 5.406 1.00 0.00 C ATOM 1498 C ALA A 97 -0.240 9.631 4.170 1.00 0.00 C ATOM 1499 O ALA A 97 0.484 9.434 3.194 1.00 0.00 O ATOM 1500 CB ALA A 97 1.253 8.194 5.605 1.00 0.00 C ATOM 0 H ALA A 97 -0.697 6.711 5.121 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.441 9.340 6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.951 9.030 5.646 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.304 7.633 6.538 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.518 7.541 4.774 1.00 0.00 H new ATOM 1506 N ASP A 98 -1.140 10.609 4.211 1.00 0.00 N ATOM 1507 CA ASP A 98 -1.200 11.645 3.179 1.00 0.00 C ATOM 1508 C ASP A 98 0.062 12.521 3.242 1.00 0.00 C ATOM 1509 O ASP A 98 0.544 12.853 4.331 1.00 0.00 O ATOM 1510 CB ASP A 98 -2.463 12.498 3.368 1.00 0.00 C ATOM 1511 CG ASP A 98 -2.614 13.579 2.307 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -2.110 14.704 2.515 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -3.246 13.314 1.266 1.00 0.00 O ATOM 0 H ASP A 98 -1.839 10.708 4.947 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.244 11.174 2.197 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.339 11.850 3.346 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.436 12.964 4.353 1.00 0.00 H new ATOM 1518 N LEU A 99 0.605 12.881 2.085 1.00 0.00 N ATOM 1519 CA LEU A 99 1.840 13.669 2.036 1.00 0.00 C ATOM 1520 C LEU A 99 1.810 14.720 0.918 1.00 0.00 C ATOM 1521 O LEU A 99 1.225 14.503 -0.146 1.00 0.00 O ATOM 1522 CB LEU A 99 3.070 12.753 1.856 1.00 0.00 C ATOM 1523 CG LEU A 99 3.123 11.927 0.552 1.00 0.00 C ATOM 1524 CD1 LEU A 99 4.535 11.393 0.309 1.00 0.00 C ATOM 1525 CD2 LEU A 99 2.125 10.770 0.595 1.00 0.00 C ATOM 0 H LEU A 99 0.216 12.644 1.172 1.00 0.00 H new ATOM 0 HA LEU A 99 1.917 14.193 2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.967 13.371 1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.110 12.064 2.699 1.00 0.00 H new ATOM 0 HG LEU A 99 2.850 12.587 -0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.551 10.814 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.231 12.228 0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.831 10.756 1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.183 10.205 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.363 10.115 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.116 11.164 0.718 1.00 0.00 H new ATOM 1537 N ASP A 100 2.427 15.869 1.184 1.00 0.00 N ATOM 1538 CA ASP A 100 2.632 16.898 0.166 1.00 0.00 C ATOM 1539 C ASP A 100 3.953 16.658 -0.579 1.00 0.00 C ATOM 1540 O ASP A 100 4.994 16.423 0.037 1.00 0.00 O ATOM 1541 CB ASP A 100 2.625 18.289 0.806 1.00 0.00 C ATOM 1542 CG ASP A 100 1.271 18.638 1.397 1.00 0.00 C ATOM 1543 OD1 ASP A 100 0.370 19.042 0.631 1.00 0.00 O ATOM 1544 OD2 ASP A 100 1.095 18.510 2.626 1.00 0.00 O ATOM 0 H ASP A 100 2.796 16.112 2.103 1.00 0.00 H new ATOM 0 HA ASP A 100 1.814 16.843 -0.553 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.383 18.332 1.588 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.896 19.033 0.058 1.00 0.00 H new ATOM 1549 N LEU A 101 3.901 16.705 -1.903 1.00 0.00 N ATOM 1550 CA LEU A 101 5.075 16.418 -2.729 1.00 0.00 C ATOM 1551 C LEU A 101 6.129 17.532 -2.643 1.00 0.00 C ATOM 1552 O LEU A 101 5.803 18.703 -2.439 1.00 0.00 O ATOM 1553 CB LEU A 101 4.655 16.216 -4.191 1.00 0.00 C ATOM 1554 CG LEU A 101 3.669 15.063 -4.440 1.00 0.00 C ATOM 1555 CD1 LEU A 101 3.310 14.971 -5.919 1.00 0.00 C ATOM 1556 CD2 LEU A 101 4.247 13.742 -3.935 1.00 0.00 C ATOM 0 H LEU A 101 3.061 16.939 -2.432 1.00 0.00 H new ATOM 0 HA LEU A 101 5.526 15.503 -2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.206 17.141 -4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.550 16.041 -4.788 1.00 0.00 H new ATOM 0 HG LEU A 101 2.754 15.267 -3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.611 14.149 -6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.848 15.905 -6.240 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.214 14.794 -6.502 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.534 12.938 -4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.179 13.529 -4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.441 13.815 -2.865 1.00 0.00 H new ATOM 1568 N ASP A 102 7.395 17.152 -2.799 1.00 0.00 N ATOM 1569 CA ASP A 102 8.502 18.116 -2.847 1.00 0.00 C ATOM 1570 C ASP A 102 8.326 19.089 -4.035 1.00 0.00 C ATOM 1571 O ASP A 102 7.520 18.841 -4.937 1.00 0.00 O ATOM 1572 CB ASP A 102 9.827 17.348 -2.975 1.00 0.00 C ATOM 1573 CG ASP A 102 11.056 18.230 -2.823 1.00 0.00 C ATOM 1574 OD1 ASP A 102 11.525 18.788 -3.839 1.00 0.00 O ATOM 1575 OD2 ASP A 102 11.564 18.358 -1.696 1.00 0.00 O ATOM 0 H ASP A 102 7.685 16.179 -2.895 1.00 0.00 H new ATOM 0 HA ASP A 102 8.508 18.705 -1.930 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.857 16.563 -2.219 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.860 16.856 -3.947 1.00 0.00 H new ATOM 1580 N ALA A 103 9.087 20.182 -4.041 1.00 0.00 N ATOM 1581 CA ALA A 103 9.031 21.166 -5.136 1.00 0.00 C ATOM 1582 C ALA A 103 9.415 20.537 -6.486 1.00 0.00 C ATOM 1583 O ALA A 103 8.991 20.998 -7.547 1.00 0.00 O ATOM 1584 CB ALA A 103 9.939 22.350 -4.826 1.00 0.00 C ATOM 0 H ALA A 103 9.752 20.414 -3.303 1.00 0.00 H new ATOM 0 HA ALA A 103 8.002 21.515 -5.216 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.889 23.070 -5.643 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.613 22.826 -3.901 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.965 22.001 -4.712 1.00 0.00 H new ATOM 1590 N ASP A 104 10.210 19.473 -6.435 1.00 0.00 N ATOM 1591 CA ASP A 104 10.628 18.748 -7.636 1.00 0.00 C ATOM 1592 C ASP A 104 9.543 17.739 -8.048 1.00 0.00 C ATOM 1593 O ASP A 104 9.568 17.178 -9.147 1.00 0.00 O ATOM 1594 CB ASP A 104 11.963 18.036 -7.361 1.00 0.00 C ATOM 1595 CG ASP A 104 12.584 17.430 -8.610 1.00 0.00 C ATOM 1596 OD1 ASP A 104 13.074 18.196 -9.464 1.00 0.00 O ATOM 1597 OD2 ASP A 104 12.589 16.189 -8.744 1.00 0.00 O ATOM 0 H ASP A 104 10.582 19.089 -5.567 1.00 0.00 H new ATOM 0 HA ASP A 104 10.766 19.450 -8.459 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.663 18.747 -6.922 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.803 17.249 -6.624 1.00 0.00 H new ATOM 1602 N GLY A 105 8.571 17.540 -7.158 1.00 0.00 N ATOM 1603 CA GLY A 105 7.498 16.589 -7.403 1.00 0.00 C ATOM 1604 C GLY A 105 7.838 15.175 -6.943 1.00 0.00 C ATOM 1605 O GLY A 105 7.358 14.196 -7.512 1.00 0.00 O ATOM 0 H GLY A 105 8.508 18.026 -6.263 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.597 16.926 -6.889 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.270 16.573 -8.469 1.00 0.00 H new ATOM 1609 N VAL A 106 8.667 15.068 -5.907 1.00 0.00 N ATOM 1610 CA VAL A 106 9.115 13.764 -5.407 1.00 0.00 C ATOM 1611 C VAL A 106 8.395 13.365 -4.106 1.00 0.00 C ATOM 1612 O VAL A 106 8.417 14.109 -3.120 1.00 0.00 O ATOM 1613 CB VAL A 106 10.644 13.768 -5.153 1.00 0.00 C ATOM 1614 CG1 VAL A 106 11.116 12.417 -4.616 1.00 0.00 C ATOM 1615 CG2 VAL A 106 11.397 14.140 -6.430 1.00 0.00 C ATOM 0 H VAL A 106 9.044 15.866 -5.396 1.00 0.00 H new ATOM 0 HA VAL A 106 8.869 13.034 -6.178 1.00 0.00 H new ATOM 0 HB VAL A 106 10.860 14.520 -4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 106 12.192 12.449 -4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 106 10.607 12.201 -3.676 1.00 0.00 H new ATOM 0 HG13 VAL A 106 10.885 11.637 -5.341 1.00 0.00 H new ATOM 0 HG21 VAL A 106 12.469 14.138 -6.234 1.00 0.00 H new ATOM 0 HG22 VAL A 106 11.170 13.414 -7.211 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.090 15.133 -6.757 1.00 0.00 H new ATOM 1625 N PRO A 107 7.730 12.192 -4.090 1.00 0.00 N ATOM 1626 CA PRO A 107 7.183 11.614 -2.853 1.00 0.00 C ATOM 1627 C PRO A 107 8.303 11.091 -1.934 1.00 0.00 C ATOM 1628 O PRO A 107 8.648 9.908 -1.947 1.00 0.00 O ATOM 1629 CB PRO A 107 6.286 10.473 -3.359 1.00 0.00 C ATOM 1630 CG PRO A 107 6.877 10.087 -4.675 1.00 0.00 C ATOM 1631 CD PRO A 107 7.436 11.353 -5.272 1.00 0.00 C ATOM 0 HA PRO A 107 6.640 12.340 -2.248 1.00 0.00 H new ATOM 0 HB2 PRO A 107 6.282 9.633 -2.664 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.252 10.800 -3.469 1.00 0.00 H new ATOM 0 HG2 PRO A 107 7.659 9.339 -4.546 1.00 0.00 H new ATOM 0 HG3 PRO A 107 6.122 9.649 -5.328 1.00 0.00 H new ATOM 0 HD2 PRO A 107 8.334 11.158 -5.859 1.00 0.00 H new ATOM 0 HD3 PRO A 107 6.719 11.834 -5.937 1.00 0.00 H new ATOM 1639 N GLN A 108 8.889 12.001 -1.159 1.00 0.00 N ATOM 1640 CA GLN A 108 10.050 11.686 -0.319 1.00 0.00 C ATOM 1641 C GLN A 108 9.647 10.985 0.994 1.00 0.00 C ATOM 1642 O GLN A 108 8.961 11.557 1.844 1.00 0.00 O ATOM 1643 CB GLN A 108 10.839 12.977 -0.040 1.00 0.00 C ATOM 1644 CG GLN A 108 10.032 14.060 0.679 1.00 0.00 C ATOM 1645 CD GLN A 108 10.709 15.424 0.683 1.00 0.00 C ATOM 1646 OE1 GLN A 108 10.603 16.176 1.645 1.00 0.00 O ATOM 1647 NE2 GLN A 108 11.378 15.774 -0.400 1.00 0.00 N ATOM 0 H GLN A 108 8.578 12.970 -1.093 1.00 0.00 H new ATOM 0 HA GLN A 108 10.684 10.983 -0.859 1.00 0.00 H new ATOM 0 HB2 GLN A 108 11.714 12.732 0.561 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.204 13.378 -0.985 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.056 14.150 0.203 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.857 13.748 1.709 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.450 15.128 -1.186 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.823 16.690 -0.451 1.00 0.00 H new ATOM 1656 N LEU A 109 10.077 9.734 1.146 1.00 0.00 N ATOM 1657 CA LEU A 109 9.766 8.939 2.344 1.00 0.00 C ATOM 1658 C LEU A 109 10.803 9.130 3.458 1.00 0.00 C ATOM 1659 O LEU A 109 10.465 9.032 4.635 1.00 0.00 O ATOM 1660 CB LEU A 109 9.651 7.448 1.987 1.00 0.00 C ATOM 1661 CG LEU A 109 8.253 6.979 1.552 1.00 0.00 C ATOM 1662 CD1 LEU A 109 7.712 7.848 0.423 1.00 0.00 C ATOM 1663 CD2 LEU A 109 8.281 5.508 1.143 1.00 0.00 C ATOM 0 H LEU A 109 10.644 9.243 0.455 1.00 0.00 H new ATOM 0 HA LEU A 109 8.809 9.298 2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 109 10.355 7.229 1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.960 6.860 2.851 1.00 0.00 H new ATOM 0 HG LEU A 109 7.581 7.082 2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.722 7.495 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.644 8.882 0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.382 7.789 -0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.282 5.196 0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.972 5.375 0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.609 4.902 1.987 1.00 0.00 H new ATOM 1675 N GLY A 110 12.052 9.409 3.083 1.00 0.00 N ATOM 1676 CA GLY A 110 13.128 9.565 4.066 1.00 0.00 C ATOM 1677 C GLY A 110 12.754 10.464 5.243 1.00 0.00 C ATOM 1678 O GLY A 110 12.993 10.118 6.399 1.00 0.00 O ATOM 0 H GLY A 110 12.344 9.531 2.113 1.00 0.00 H new ATOM 0 HA2 GLY A 110 13.408 8.582 4.445 1.00 0.00 H new ATOM 0 HA3 GLY A 110 14.006 9.977 3.569 1.00 0.00 H new ATOM 1682 N ASP A 111 12.152 11.613 4.943 1.00 0.00 N ATOM 1683 CA ASP A 111 11.691 12.541 5.979 1.00 0.00 C ATOM 1684 C ASP A 111 10.566 11.925 6.831 1.00 0.00 C ATOM 1685 O ASP A 111 10.537 12.087 8.051 1.00 0.00 O ATOM 1686 CB ASP A 111 11.207 13.845 5.332 1.00 0.00 C ATOM 1687 CG ASP A 111 10.635 14.825 6.347 1.00 0.00 C ATOM 1688 OD1 ASP A 111 9.423 14.741 6.643 1.00 0.00 O ATOM 1689 OD2 ASP A 111 11.388 15.678 6.856 1.00 0.00 O ATOM 0 H ASP A 111 11.971 11.926 3.989 1.00 0.00 H new ATOM 0 HA ASP A 111 12.532 12.752 6.640 1.00 0.00 H new ATOM 0 HB2 ASP A 111 12.038 14.316 4.806 1.00 0.00 H new ATOM 0 HB3 ASP A 111 10.447 13.616 4.586 1.00 0.00 H new ATOM 1694 N HIS A 112 9.649 11.207 6.184 1.00 0.00 N ATOM 1695 CA HIS A 112 8.472 10.671 6.864 1.00 0.00 C ATOM 1696 C HIS A 112 8.798 9.397 7.666 1.00 0.00 C ATOM 1697 O HIS A 112 8.103 9.064 8.628 1.00 0.00 O ATOM 1698 CB HIS A 112 7.373 10.397 5.832 1.00 0.00 C ATOM 1699 CG HIS A 112 6.091 9.894 6.422 1.00 0.00 C ATOM 1700 ND1 HIS A 112 5.184 10.707 7.067 1.00 0.00 N ATOM 1701 CD2 HIS A 112 5.571 8.649 6.462 1.00 0.00 C ATOM 1702 CE1 HIS A 112 4.163 9.984 7.482 1.00 0.00 C ATOM 1703 NE2 HIS A 112 4.371 8.731 7.128 1.00 0.00 N ATOM 0 H HIS A 112 9.699 10.983 5.190 1.00 0.00 H new ATOM 0 HA HIS A 112 8.124 11.413 7.582 1.00 0.00 H new ATOM 0 HB2 HIS A 112 7.171 11.315 5.280 1.00 0.00 H new ATOM 0 HB3 HIS A 112 7.740 9.666 5.111 1.00 0.00 H new ATOM 0 HD2 HIS A 112 6.015 7.755 6.048 1.00 0.00 H new ATOM 0 HE1 HIS A 112 3.303 10.355 8.020 1.00 0.00 H new ATOM 0 HE2 HIS A 112 3.744 7.949 7.317 1.00 0.00 H new ATOM 1712 N LEU A 113 9.856 8.693 7.276 1.00 0.00 N ATOM 1713 CA LEU A 113 10.239 7.445 7.945 1.00 0.00 C ATOM 1714 C LEU A 113 11.284 7.700 9.050 1.00 0.00 C ATOM 1715 O LEU A 113 10.926 8.141 10.145 1.00 0.00 O ATOM 1716 CB LEU A 113 10.755 6.426 6.917 1.00 0.00 C ATOM 1717 CG LEU A 113 9.803 6.133 5.746 1.00 0.00 C ATOM 1718 CD1 LEU A 113 10.361 5.019 4.863 1.00 0.00 C ATOM 1719 CD2 LEU A 113 8.405 5.786 6.252 1.00 0.00 C ATOM 0 H LEU A 113 10.465 8.961 6.503 1.00 0.00 H new ATOM 0 HA LEU A 113 9.353 7.029 8.426 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.700 6.789 6.513 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.968 5.490 7.433 1.00 0.00 H new ATOM 0 HG LEU A 113 9.722 7.035 5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 113 9.672 4.827 4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.329 5.322 4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.481 4.111 5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 113 7.751 5.583 5.404 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.457 4.903 6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 113 8.007 6.624 6.825 1.00 0.00 H new