USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 701 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 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 69 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Set 2.1: A 16 HIS :FLIP no HD1:sc= -3.38! C(o=-10!,f=-8!) USER MOD Set 2.2: A 98 GLN : amide:sc= -4.64! C(o=-8!,f=-11!) USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.175) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc=-0.00573 K(o=-0.0057,f=-1) USER MOD Single : A 38 MET CE :methyl -116:sc= -0.974 (180deg=-5.35!) USER MOD Single : A 39 TYR OH : rot -20:sc= 0.054 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 30:sc= -0.163 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 60:sc= -9.21! USER MOD Single : A 76 SER OG : rot -79:sc= 0.76 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -42:sc= 0.73 USER MOD Single : A 80 THR OG1 : rot 160:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -2.64! C(o=-2.6!,f=-4.5!) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.748 USER MOD Single : A 90 THR OG1 : rot -64:sc= 1.38 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 1:sc= 0.079 USER MOD Single : A 95 CYS SG : rot 84:sc= 0.925 USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 163:sc=-0.00302 (180deg=-0.392) USER MOD Single : A 111 THR OG1 : rot 93:sc= 1.26 USER MOD Single : A 113 GLN : amide:sc= -0.345 K(o=-0.34,f=-2.3!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -77:sc= 1.11 USER MOD Single : A 117 ASN : amide:sc= -0.926 K(o=-0.93,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 78 N ALA A 9 -5.625 -12.711 -5.556 1.00 0.00 N ATOM 79 CA ALA A 9 -5.236 -11.346 -5.223 1.00 0.00 C ATOM 80 C ALA A 9 -6.434 -10.405 -5.276 1.00 0.00 C ATOM 81 O ALA A 9 -7.085 -10.271 -6.312 1.00 0.00 O ATOM 82 CB ALA A 9 -4.141 -10.864 -6.164 1.00 0.00 C ATOM 0 HA ALA A 9 -4.850 -11.343 -4.203 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.861 -9.843 -5.903 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.271 -11.514 -6.073 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.506 -10.889 -7.191 1.00 0.00 H new ATOM 88 N ALA A 10 -6.721 -9.755 -4.153 1.00 0.00 N ATOM 89 CA ALA A 10 -7.841 -8.826 -4.073 1.00 0.00 C ATOM 90 C ALA A 10 -7.659 -7.662 -5.041 1.00 0.00 C ATOM 91 O ALA A 10 -8.564 -7.332 -5.808 1.00 0.00 O ATOM 92 CB ALA A 10 -7.998 -8.311 -2.650 1.00 0.00 C ATOM 0 H ALA A 10 -6.193 -9.855 -3.286 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.747 -9.362 -4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.838 -7.618 -2.604 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.182 -9.149 -1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.086 -7.796 -2.347 1.00 0.00 H new ATOM 98 N LYS A 11 -6.484 -7.044 -5.002 1.00 0.00 N ATOM 99 CA LYS A 11 -6.182 -5.917 -5.877 1.00 0.00 C ATOM 100 C LYS A 11 -4.691 -5.857 -6.192 1.00 0.00 C ATOM 101 O LYS A 11 -3.882 -6.513 -5.536 1.00 0.00 O ATOM 102 CB LYS A 11 -6.629 -4.606 -5.226 1.00 0.00 C ATOM 103 CG LYS A 11 -6.743 -3.449 -6.204 1.00 0.00 C ATOM 104 CD LYS A 11 -7.746 -2.413 -5.728 1.00 0.00 C ATOM 105 CE LYS A 11 -7.550 -1.081 -6.436 1.00 0.00 C ATOM 106 NZ LYS A 11 -8.174 -1.074 -7.788 1.00 0.00 N ATOM 0 H LYS A 11 -5.724 -7.305 -4.373 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.727 -6.057 -6.810 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.595 -4.760 -4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.920 -4.339 -4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.767 -2.981 -6.330 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.044 -3.826 -7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.758 -2.776 -5.907 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.643 -2.273 -4.652 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.982 -0.282 -5.833 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.484 -0.871 -6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.184 -0.103 -8.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.626 -1.685 -8.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.149 -1.429 -7.722 1.00 0.00 H new ATOM 120 N GLU A 12 -4.335 -5.067 -7.199 1.00 0.00 N ATOM 121 CA GLU A 12 -2.940 -4.922 -7.600 1.00 0.00 C ATOM 122 C GLU A 12 -2.758 -3.709 -8.508 1.00 0.00 C ATOM 123 O GLU A 12 -3.719 -3.199 -9.081 1.00 0.00 O ATOM 124 CB GLU A 12 -2.458 -6.185 -8.316 1.00 0.00 C ATOM 125 CG GLU A 12 -3.190 -6.464 -9.618 1.00 0.00 C ATOM 126 CD GLU A 12 -2.858 -7.826 -10.195 1.00 0.00 C ATOM 127 OE1 GLU A 12 -2.941 -8.822 -9.446 1.00 0.00 O ATOM 128 OE2 GLU A 12 -2.515 -7.896 -11.393 1.00 0.00 O ATOM 0 H GLU A 12 -4.992 -4.517 -7.752 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.344 -4.773 -6.700 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.392 -6.091 -8.521 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.580 -7.039 -7.650 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.265 -6.398 -9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.935 -5.694 -10.346 1.00 0.00 H new ATOM 135 N GLY A 13 -1.515 -3.251 -8.632 1.00 0.00 N ATOM 136 CA GLY A 13 -1.229 -2.101 -9.470 1.00 0.00 C ATOM 137 C GLY A 13 -0.023 -1.319 -8.989 1.00 0.00 C ATOM 138 O GLY A 13 0.377 -1.433 -7.830 1.00 0.00 O ATOM 0 H GLY A 13 -0.702 -3.656 -8.167 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.057 -2.435 -10.493 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.099 -1.445 -9.491 1.00 0.00 H new ATOM 142 N TRP A 14 0.559 -0.525 -9.880 1.00 0.00 N ATOM 143 CA TRP A 14 1.728 0.278 -9.540 1.00 0.00 C ATOM 144 C TRP A 14 1.355 1.407 -8.586 1.00 0.00 C ATOM 145 O TRP A 14 0.657 2.349 -8.966 1.00 0.00 O ATOM 146 CB TRP A 14 2.364 0.852 -10.806 1.00 0.00 C ATOM 147 CG TRP A 14 3.070 -0.177 -11.636 1.00 0.00 C ATOM 148 CD1 TRP A 14 2.529 -0.936 -12.635 1.00 0.00 C ATOM 149 CD2 TRP A 14 4.445 -0.562 -11.537 1.00 0.00 C ATOM 150 NE1 TRP A 14 3.486 -1.769 -13.163 1.00 0.00 N ATOM 151 CE2 TRP A 14 4.670 -1.559 -12.508 1.00 0.00 C ATOM 152 CE3 TRP A 14 5.509 -0.161 -10.725 1.00 0.00 C ATOM 153 CZ2 TRP A 14 5.914 -2.158 -12.685 1.00 0.00 C ATOM 154 CZ3 TRP A 14 6.743 -0.757 -10.902 1.00 0.00 C ATOM 155 CH2 TRP A 14 6.938 -1.746 -11.875 1.00 0.00 C ATOM 0 H TRP A 14 0.241 -0.420 -10.843 1.00 0.00 H new ATOM 0 HA TRP A 14 2.449 -0.369 -9.041 1.00 0.00 H new ATOM 0 HB2 TRP A 14 1.590 1.326 -11.410 1.00 0.00 H new ATOM 0 HB3 TRP A 14 3.073 1.631 -10.526 1.00 0.00 H new ATOM 0 HD1 TRP A 14 1.501 -0.888 -12.962 1.00 0.00 H new ATOM 0 HE1 TRP A 14 3.338 -2.436 -13.920 1.00 0.00 H new ATOM 0 HE3 TRP A 14 5.369 0.601 -9.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 6.066 -2.921 -13.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.572 -0.455 -10.279 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.915 -2.192 -11.988 1.00 0.00 H new ATOM 166 N LEU A 15 1.823 1.309 -7.347 1.00 0.00 N ATOM 167 CA LEU A 15 1.537 2.323 -6.338 1.00 0.00 C ATOM 168 C LEU A 15 2.813 2.753 -5.622 1.00 0.00 C ATOM 169 O LEU A 15 3.684 1.930 -5.336 1.00 0.00 O ATOM 170 CB LEU A 15 0.523 1.792 -5.324 1.00 0.00 C ATOM 171 CG LEU A 15 -0.734 1.146 -5.907 1.00 0.00 C ATOM 172 CD1 LEU A 15 -1.635 0.631 -4.795 1.00 0.00 C ATOM 173 CD2 LEU A 15 -1.483 2.136 -6.787 1.00 0.00 C ATOM 0 H LEU A 15 2.402 0.537 -7.017 1.00 0.00 H new ATOM 0 HA LEU A 15 1.114 3.192 -6.842 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.023 1.060 -4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.218 2.616 -4.679 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.431 0.299 -6.523 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.524 0.175 -5.229 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.097 -0.112 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.930 1.460 -4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.375 1.659 -7.194 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.774 3.003 -6.194 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.838 2.456 -7.605 1.00 0.00 H new ATOM 185 N HIS A 16 2.917 4.046 -5.331 1.00 0.00 N ATOM 186 CA HIS A 16 4.085 4.584 -4.645 1.00 0.00 C ATOM 187 C HIS A 16 3.999 4.328 -3.143 1.00 0.00 C ATOM 188 O HIS A 16 3.202 4.951 -2.441 1.00 0.00 O ATOM 189 CB HIS A 16 4.214 6.084 -4.911 1.00 0.00 C ATOM 190 CG HIS A 16 4.226 6.435 -6.367 1.00 0.00 C ATOM 191 ND1 HIS A 16 3.209 6.622 -7.241 1.00 0.00 N flip ATOM 192 CD2 HIS A 16 5.387 6.632 -7.085 1.00 0.00 C flip ATOM 193 CE1 HIS A 16 3.768 6.927 -8.458 1.00 0.00 C flip ATOM 194 NE2 HIS A 16 5.084 6.927 -8.336 1.00 0.00 N flip ATOM 0 H HIS A 16 2.206 4.740 -5.560 1.00 0.00 H new ATOM 0 HA HIS A 16 4.968 4.077 -5.033 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.386 6.603 -4.427 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.132 6.449 -4.450 1.00 0.00 H new ATOM 0 HD2 HIS A 16 6.388 6.557 -6.686 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.221 7.133 -9.366 1.00 0.00 H new ATOM 0 HE2 HIS A 16 5.752 7.122 -9.082 1.00 0.00 H new ATOM 203 N PHE A 17 4.824 3.407 -2.657 1.00 0.00 N ATOM 204 CA PHE A 17 4.840 3.067 -1.239 1.00 0.00 C ATOM 205 C PHE A 17 5.904 3.872 -0.498 1.00 0.00 C ATOM 206 O PHE A 17 7.102 3.654 -0.682 1.00 0.00 O ATOM 207 CB PHE A 17 5.097 1.570 -1.054 1.00 0.00 C ATOM 208 CG PHE A 17 5.562 1.207 0.327 1.00 0.00 C ATOM 209 CD1 PHE A 17 4.673 1.191 1.390 1.00 0.00 C ATOM 210 CD2 PHE A 17 6.888 0.883 0.563 1.00 0.00 C ATOM 211 CE1 PHE A 17 5.097 0.857 2.662 1.00 0.00 C ATOM 212 CE2 PHE A 17 7.318 0.548 1.833 1.00 0.00 C ATOM 213 CZ PHE A 17 6.422 0.536 2.884 1.00 0.00 C ATOM 0 H PHE A 17 5.490 2.883 -3.224 1.00 0.00 H new ATOM 0 HA PHE A 17 3.865 3.316 -0.821 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.181 1.022 -1.276 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.845 1.246 -1.777 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.636 1.443 1.222 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.594 0.892 -0.255 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.393 0.847 3.481 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.354 0.296 2.004 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.757 0.276 3.877 1.00 0.00 H new ATOM 223 N ARG A 18 5.458 4.803 0.339 1.00 0.00 N ATOM 224 CA ARG A 18 6.370 5.642 1.106 1.00 0.00 C ATOM 225 C ARG A 18 6.064 5.555 2.598 1.00 0.00 C ATOM 226 O ARG A 18 5.168 6.223 3.113 1.00 0.00 O ATOM 227 CB ARG A 18 6.275 7.095 0.639 1.00 0.00 C ATOM 228 CG ARG A 18 7.137 8.052 1.445 1.00 0.00 C ATOM 229 CD ARG A 18 6.818 9.502 1.117 1.00 0.00 C ATOM 230 NE ARG A 18 7.370 10.422 2.107 1.00 0.00 N ATOM 231 CZ ARG A 18 7.214 11.741 2.053 1.00 0.00 C ATOM 232 NH1 ARG A 18 6.524 12.290 1.063 1.00 0.00 N ATOM 233 NH2 ARG A 18 7.747 12.512 2.992 1.00 0.00 N ATOM 0 H ARG A 18 4.470 4.995 0.503 1.00 0.00 H new ATOM 0 HA ARG A 18 7.384 5.280 0.939 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.568 7.151 -0.409 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.236 7.419 0.697 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.980 7.876 2.509 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.189 7.855 1.241 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.217 9.747 0.133 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.737 9.632 1.064 1.00 0.00 H new ATOM 0 HE ARG A 18 7.905 10.031 2.883 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.111 11.700 0.340 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.406 13.302 1.024 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.277 12.093 3.756 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.627 13.524 2.950 1.00 0.00 H new ATOM 247 N PRO A 19 6.826 4.711 3.310 1.00 0.00 N ATOM 248 CA PRO A 19 6.655 4.517 4.753 1.00 0.00 C ATOM 249 C PRO A 19 7.085 5.739 5.558 1.00 0.00 C ATOM 250 O PRO A 19 8.073 6.396 5.229 1.00 0.00 O ATOM 251 CB PRO A 19 7.567 3.327 5.061 1.00 0.00 C ATOM 252 CG PRO A 19 8.603 3.356 3.990 1.00 0.00 C ATOM 253 CD PRO A 19 7.913 3.883 2.762 1.00 0.00 C ATOM 0 HA PRO A 19 5.611 4.353 5.021 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.017 3.419 6.050 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.012 2.389 5.049 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.439 3.996 4.273 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.009 2.360 3.813 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.590 4.469 2.141 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.528 3.075 2.140 1.00 0.00 H new ATOM 261 N LEU A 20 6.337 6.039 6.614 1.00 0.00 N ATOM 262 CA LEU A 20 6.640 7.183 7.466 1.00 0.00 C ATOM 263 C LEU A 20 7.861 6.904 8.338 1.00 0.00 C ATOM 264 O LEU A 20 8.752 7.744 8.464 1.00 0.00 O ATOM 265 CB LEU A 20 5.437 7.521 8.348 1.00 0.00 C ATOM 266 CG LEU A 20 4.292 8.267 7.663 1.00 0.00 C ATOM 267 CD1 LEU A 20 4.769 9.614 7.142 1.00 0.00 C ATOM 268 CD2 LEU A 20 3.711 7.432 6.531 1.00 0.00 C ATOM 0 H LEU A 20 5.516 5.506 6.901 1.00 0.00 H new ATOM 0 HA LEU A 20 6.862 8.035 6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.043 6.593 8.762 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.785 8.122 9.188 1.00 0.00 H new ATOM 0 HG LEU A 20 3.507 8.441 8.399 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.941 10.131 6.658 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.136 10.216 7.973 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.573 9.462 6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.897 7.980 6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.488 7.226 5.795 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.331 6.492 6.930 1.00 0.00 H new ATOM 280 N VAL A 21 7.895 5.717 8.936 1.00 0.00 N ATOM 281 CA VAL A 21 9.008 5.325 9.793 1.00 0.00 C ATOM 282 C VAL A 21 8.932 3.845 10.150 1.00 0.00 C ATOM 283 O VAL A 21 7.848 3.262 10.202 1.00 0.00 O ATOM 284 CB VAL A 21 9.037 6.154 11.090 1.00 0.00 C ATOM 285 CG1 VAL A 21 8.026 5.615 12.091 1.00 0.00 C ATOM 286 CG2 VAL A 21 10.436 6.163 11.686 1.00 0.00 C ATOM 0 H VAL A 21 7.165 5.011 8.843 1.00 0.00 H new ATOM 0 HA VAL A 21 9.922 5.513 9.230 1.00 0.00 H new ATOM 0 HB VAL A 21 8.763 7.181 10.850 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.061 6.213 13.001 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.026 5.666 11.661 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.266 4.579 12.329 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.437 6.754 12.602 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.742 5.142 11.912 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.133 6.600 10.971 1.00 0.00 H new ATOM 495 N TRP A 35 9.445 8.871 -2.237 1.00 0.00 N ATOM 496 CA TRP A 35 8.466 7.875 -2.657 1.00 0.00 C ATOM 497 C TRP A 35 9.133 6.756 -3.450 1.00 0.00 C ATOM 498 O TRP A 35 10.000 7.007 -4.287 1.00 0.00 O ATOM 499 CB TRP A 35 7.371 8.530 -3.500 1.00 0.00 C ATOM 500 CG TRP A 35 6.553 9.529 -2.738 1.00 0.00 C ATOM 501 CD1 TRP A 35 6.908 10.809 -2.421 1.00 0.00 C ATOM 502 CD2 TRP A 35 5.243 9.328 -2.195 1.00 0.00 C ATOM 503 NE1 TRP A 35 5.899 11.416 -1.715 1.00 0.00 N ATOM 504 CE2 TRP A 35 4.866 10.529 -1.563 1.00 0.00 C ATOM 505 CE3 TRP A 35 4.352 8.252 -2.183 1.00 0.00 C ATOM 506 CZ2 TRP A 35 3.637 10.681 -0.927 1.00 0.00 C ATOM 507 CZ3 TRP A 35 3.133 8.404 -1.551 1.00 0.00 C ATOM 508 CH2 TRP A 35 2.784 9.611 -0.930 1.00 0.00 C ATOM 0 HA TRP A 35 8.017 7.444 -1.762 1.00 0.00 H new ATOM 0 HB2 TRP A 35 7.829 9.024 -4.357 1.00 0.00 H new ATOM 0 HB3 TRP A 35 6.712 7.755 -3.893 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.845 11.275 -2.687 1.00 0.00 H new ATOM 0 HE1 TRP A 35 5.916 12.372 -1.361 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.612 7.318 -2.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.366 11.610 -0.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.437 7.578 -1.535 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.823 9.698 -0.444 1.00 0.00 H new ATOM 519 N LYS A 36 8.724 5.521 -3.181 1.00 0.00 N ATOM 520 CA LYS A 36 9.281 4.363 -3.870 1.00 0.00 C ATOM 521 C LYS A 36 8.221 3.677 -4.726 1.00 0.00 C ATOM 522 O LYS A 36 7.447 2.858 -4.231 1.00 0.00 O ATOM 523 CB LYS A 36 9.856 3.369 -2.858 1.00 0.00 C ATOM 524 CG LYS A 36 10.920 3.968 -1.955 1.00 0.00 C ATOM 525 CD LYS A 36 11.558 2.912 -1.069 1.00 0.00 C ATOM 526 CE LYS A 36 12.841 3.421 -0.430 1.00 0.00 C ATOM 527 NZ LYS A 36 13.146 2.712 0.844 1.00 0.00 N ATOM 0 H LYS A 36 8.008 5.296 -2.490 1.00 0.00 H new ATOM 0 HA LYS A 36 10.081 4.711 -4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.045 2.980 -2.242 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.282 2.522 -3.395 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.688 4.446 -2.563 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.476 4.746 -1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.855 2.616 -0.290 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.773 2.022 -1.660 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.670 3.290 -1.126 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.752 4.490 -0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.028 3.088 1.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.367 2.858 1.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.257 1.695 0.657 1.00 0.00 H new ATOM 541 N GLN A 37 8.193 4.017 -6.010 1.00 0.00 N ATOM 542 CA GLN A 37 7.227 3.432 -6.934 1.00 0.00 C ATOM 543 C GLN A 37 7.534 1.959 -7.181 1.00 0.00 C ATOM 544 O GLN A 37 8.555 1.619 -7.777 1.00 0.00 O ATOM 545 CB GLN A 37 7.231 4.195 -8.259 1.00 0.00 C ATOM 546 CG GLN A 37 6.172 3.717 -9.240 1.00 0.00 C ATOM 547 CD GLN A 37 6.309 4.359 -10.606 1.00 0.00 C ATOM 548 OE1 GLN A 37 7.400 4.770 -11.005 1.00 0.00 O ATOM 549 NE2 GLN A 37 5.202 4.447 -11.333 1.00 0.00 N ATOM 0 H GLN A 37 8.827 4.694 -6.435 1.00 0.00 H new ATOM 0 HA GLN A 37 6.238 3.508 -6.482 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.077 5.255 -8.059 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.213 4.098 -8.722 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.240 2.634 -9.343 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.183 3.937 -8.837 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.320 4.094 -10.963 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.234 4.868 -12.261 1.00 0.00 H new ATOM 558 N MET A 38 6.643 1.088 -6.718 1.00 0.00 N ATOM 559 CA MET A 38 6.818 -0.349 -6.890 1.00 0.00 C ATOM 560 C MET A 38 5.469 -1.055 -6.974 1.00 0.00 C ATOM 561 O MET A 38 4.519 -0.684 -6.284 1.00 0.00 O ATOM 562 CB MET A 38 7.638 -0.926 -5.734 1.00 0.00 C ATOM 563 CG MET A 38 7.190 -0.436 -4.367 1.00 0.00 C ATOM 564 SD MET A 38 8.483 -0.580 -3.119 1.00 0.00 S ATOM 565 CE MET A 38 8.716 -2.356 -3.076 1.00 0.00 C ATOM 0 H MET A 38 5.793 1.353 -6.221 1.00 0.00 H new ATOM 0 HA MET A 38 7.354 -0.515 -7.825 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.572 -2.014 -5.760 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.687 -0.666 -5.878 1.00 0.00 H new ATOM 0 HG2 MET A 38 6.878 0.606 -4.443 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.318 -1.007 -4.049 1.00 0.00 H new ATOM 0 HE1 MET A 38 8.437 -2.736 -2.093 1.00 0.00 H new ATOM 0 HE2 MET A 38 8.090 -2.824 -3.836 1.00 0.00 H new ATOM 0 HE3 MET A 38 9.762 -2.591 -3.272 1.00 0.00 H new ATOM 575 N TYR A 39 5.391 -2.075 -7.822 1.00 0.00 N ATOM 576 CA TYR A 39 4.157 -2.831 -7.998 1.00 0.00 C ATOM 577 C TYR A 39 3.646 -3.358 -6.661 1.00 0.00 C ATOM 578 O TYR A 39 4.244 -4.253 -6.063 1.00 0.00 O ATOM 579 CB TYR A 39 4.380 -3.994 -8.966 1.00 0.00 C ATOM 580 CG TYR A 39 3.114 -4.473 -9.639 1.00 0.00 C ATOM 581 CD1 TYR A 39 2.322 -5.454 -9.055 1.00 0.00 C ATOM 582 CD2 TYR A 39 2.711 -3.947 -10.859 1.00 0.00 C ATOM 583 CE1 TYR A 39 1.165 -5.896 -9.666 1.00 0.00 C ATOM 584 CE2 TYR A 39 1.554 -4.381 -11.477 1.00 0.00 C ATOM 585 CZ TYR A 39 0.785 -5.356 -10.877 1.00 0.00 C ATOM 586 OH TYR A 39 -0.367 -5.792 -11.491 1.00 0.00 O ATOM 0 H TYR A 39 6.168 -2.397 -8.398 1.00 0.00 H new ATOM 0 HA TYR A 39 3.406 -2.160 -8.414 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.094 -3.688 -9.730 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.830 -4.826 -8.424 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.616 -5.878 -8.106 1.00 0.00 H new ATOM 0 HD2 TYR A 39 3.312 -3.185 -11.333 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.561 -6.660 -9.198 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.253 -3.959 -12.425 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.617 -6.669 -11.132 1.00 0.00 H new ATOM 596 N VAL A 40 2.534 -2.796 -6.196 1.00 0.00 N ATOM 597 CA VAL A 40 1.940 -3.209 -4.931 1.00 0.00 C ATOM 598 C VAL A 40 0.777 -4.168 -5.157 1.00 0.00 C ATOM 599 O VAL A 40 -0.142 -3.877 -5.922 1.00 0.00 O ATOM 600 CB VAL A 40 1.441 -1.996 -4.123 1.00 0.00 C ATOM 601 CG1 VAL A 40 0.616 -2.453 -2.929 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.613 -1.137 -3.674 1.00 0.00 C ATOM 0 H VAL A 40 2.027 -2.053 -6.677 1.00 0.00 H new ATOM 0 HA VAL A 40 2.721 -3.717 -4.365 1.00 0.00 H new ATOM 0 HB VAL A 40 0.802 -1.391 -4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.272 -1.583 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.245 -3.023 -3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.229 -3.081 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.242 -0.285 -3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.280 -1.730 -3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.158 -0.780 -4.548 1.00 0.00 H new ATOM 612 N VAL A 41 0.823 -5.315 -4.486 1.00 0.00 N ATOM 613 CA VAL A 41 -0.228 -6.318 -4.612 1.00 0.00 C ATOM 614 C VAL A 41 -0.900 -6.581 -3.269 1.00 0.00 C ATOM 615 O VAL A 41 -0.230 -6.793 -2.258 1.00 0.00 O ATOM 616 CB VAL A 41 0.326 -7.644 -5.165 1.00 0.00 C ATOM 617 CG1 VAL A 41 -0.772 -8.694 -5.234 1.00 0.00 C ATOM 618 CG2 VAL A 41 0.956 -7.429 -6.533 1.00 0.00 C ATOM 0 H VAL A 41 1.577 -5.573 -3.849 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.964 -5.920 -5.311 1.00 0.00 H new ATOM 0 HB VAL A 41 1.099 -8.005 -4.487 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.362 -9.624 -5.627 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.173 -8.868 -4.235 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.570 -8.344 -5.889 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.342 -8.377 -6.909 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.205 -7.044 -7.223 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.773 -6.712 -6.449 1.00 0.00 H new ATOM 628 N LEU A 42 -2.228 -6.566 -3.266 1.00 0.00 N ATOM 629 CA LEU A 42 -2.994 -6.804 -2.047 1.00 0.00 C ATOM 630 C LEU A 42 -3.611 -8.199 -2.055 1.00 0.00 C ATOM 631 O LEU A 42 -4.590 -8.451 -2.758 1.00 0.00 O ATOM 632 CB LEU A 42 -4.091 -5.749 -1.896 1.00 0.00 C ATOM 633 CG LEU A 42 -5.185 -6.060 -0.874 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.648 -5.916 0.542 1.00 0.00 C ATOM 635 CD2 LEU A 42 -6.387 -5.151 -1.086 1.00 0.00 C ATOM 0 H LEU A 42 -2.797 -6.392 -4.094 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.312 -6.734 -1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.623 -4.804 -1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.561 -5.601 -2.868 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.506 -7.092 -1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.440 -6.141 1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.819 -6.609 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.299 -4.895 0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.156 -5.387 -0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.081 -4.111 -0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.786 -5.304 -2.089 1.00 0.00 H new ATOM 647 N ARG A 43 -3.033 -9.101 -1.268 1.00 0.00 N ATOM 648 CA ARG A 43 -3.527 -10.470 -1.184 1.00 0.00 C ATOM 649 C ARG A 43 -4.092 -10.759 0.204 1.00 0.00 C ATOM 650 O ARG A 43 -3.350 -11.066 1.136 1.00 0.00 O ATOM 651 CB ARG A 43 -2.406 -11.460 -1.507 1.00 0.00 C ATOM 652 CG ARG A 43 -2.064 -11.530 -2.986 1.00 0.00 C ATOM 653 CD ARG A 43 -1.560 -12.911 -3.376 1.00 0.00 C ATOM 654 NE ARG A 43 -0.926 -12.911 -4.691 1.00 0.00 N ATOM 655 CZ ARG A 43 0.305 -12.464 -4.913 1.00 0.00 C ATOM 656 NH1 ARG A 43 1.030 -11.983 -3.913 1.00 0.00 N ATOM 657 NH2 ARG A 43 0.813 -12.497 -6.139 1.00 0.00 N ATOM 0 H ARG A 43 -2.222 -8.908 -0.680 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.327 -10.587 -1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.513 -11.179 -0.949 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.698 -12.452 -1.163 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.946 -11.283 -3.577 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.304 -10.784 -3.221 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.847 -13.261 -2.630 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.393 -13.614 -3.375 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.457 -13.274 -5.482 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.643 -11.955 -2.970 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.975 -11.641 -4.087 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.258 -12.866 -6.911 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.758 -12.154 -6.309 1.00 0.00 H new ATOM 671 N GLY A 44 -5.412 -10.660 0.333 1.00 0.00 N ATOM 672 CA GLY A 44 -6.054 -10.913 1.609 1.00 0.00 C ATOM 673 C GLY A 44 -5.852 -9.779 2.595 1.00 0.00 C ATOM 674 O GLY A 44 -6.552 -8.767 2.539 1.00 0.00 O ATOM 0 H GLY A 44 -6.048 -10.409 -0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.121 -11.067 1.451 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.658 -11.835 2.035 1.00 0.00 H new ATOM 678 N HIS A 45 -4.895 -9.948 3.502 1.00 0.00 N ATOM 679 CA HIS A 45 -4.605 -8.930 4.505 1.00 0.00 C ATOM 680 C HIS A 45 -3.126 -8.555 4.486 1.00 0.00 C ATOM 681 O HIS A 45 -2.626 -7.914 5.411 1.00 0.00 O ATOM 682 CB HIS A 45 -4.998 -9.428 5.896 1.00 0.00 C ATOM 683 CG HIS A 45 -4.891 -10.914 6.053 1.00 0.00 C ATOM 684 ND1 HIS A 45 -5.965 -11.766 5.905 1.00 0.00 N ATOM 685 CD2 HIS A 45 -3.827 -11.699 6.345 1.00 0.00 C ATOM 686 CE1 HIS A 45 -5.567 -13.010 6.101 1.00 0.00 C ATOM 687 NE2 HIS A 45 -4.274 -12.997 6.369 1.00 0.00 N ATOM 0 H HIS A 45 -4.308 -10.780 3.563 1.00 0.00 H new ATOM 0 HA HIS A 45 -5.191 -8.042 4.266 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.362 -8.946 6.639 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.023 -9.122 6.106 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -2.816 -11.366 6.525 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.193 -13.889 6.051 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -3.700 -13.818 6.562 1.00 0.00 H new ATOM 696 N SER A 46 -2.431 -8.959 3.427 1.00 0.00 N ATOM 697 CA SER A 46 -1.009 -8.669 3.290 1.00 0.00 C ATOM 698 C SER A 46 -0.734 -7.896 2.004 1.00 0.00 C ATOM 699 O SER A 46 -1.366 -8.136 0.974 1.00 0.00 O ATOM 700 CB SER A 46 -0.199 -9.967 3.302 1.00 0.00 C ATOM 701 OG SER A 46 -0.614 -10.818 4.356 1.00 0.00 O ATOM 0 H SER A 46 -2.830 -9.488 2.652 1.00 0.00 H new ATOM 0 HA SER A 46 -0.706 -8.052 4.136 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.316 -10.481 2.348 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.861 -9.737 3.412 1.00 0.00 H new ATOM 0 HG SER A 46 -0.082 -11.641 4.341 1.00 0.00 H new ATOM 707 N LEU A 47 0.214 -6.967 2.071 1.00 0.00 N ATOM 708 CA LEU A 47 0.575 -6.158 0.912 1.00 0.00 C ATOM 709 C LEU A 47 1.949 -6.550 0.380 1.00 0.00 C ATOM 710 O LEU A 47 2.973 -6.242 0.990 1.00 0.00 O ATOM 711 CB LEU A 47 0.562 -4.673 1.280 1.00 0.00 C ATOM 712 CG LEU A 47 -0.778 -3.954 1.125 1.00 0.00 C ATOM 713 CD1 LEU A 47 -0.681 -2.526 1.640 1.00 0.00 C ATOM 714 CD2 LEU A 47 -1.227 -3.969 -0.329 1.00 0.00 C ATOM 0 H LEU A 47 0.746 -6.756 2.915 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.161 -6.339 0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.887 -4.573 2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.300 -4.160 0.663 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.523 -4.483 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.644 -2.030 1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.406 -2.537 2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.077 -1.986 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.183 -3.453 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.482 -3.465 -0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.338 -5.000 -0.665 1.00 0.00 H new ATOM 726 N TYR A 48 1.964 -7.230 -0.761 1.00 0.00 N ATOM 727 CA TYR A 48 3.212 -7.665 -1.376 1.00 0.00 C ATOM 728 C TYR A 48 3.652 -6.690 -2.464 1.00 0.00 C ATOM 729 O TYR A 48 3.070 -6.648 -3.549 1.00 0.00 O ATOM 730 CB TYR A 48 3.054 -9.067 -1.965 1.00 0.00 C ATOM 731 CG TYR A 48 2.654 -10.111 -0.946 1.00 0.00 C ATOM 732 CD1 TYR A 48 3.535 -10.510 0.051 1.00 0.00 C ATOM 733 CD2 TYR A 48 1.394 -10.696 -0.981 1.00 0.00 C ATOM 734 CE1 TYR A 48 3.174 -11.463 0.983 1.00 0.00 C ATOM 735 CE2 TYR A 48 1.024 -11.649 -0.052 1.00 0.00 C ATOM 736 CZ TYR A 48 1.918 -12.030 0.928 1.00 0.00 C ATOM 737 OH TYR A 48 1.554 -12.979 1.856 1.00 0.00 O ATOM 0 H TYR A 48 1.125 -7.492 -1.279 1.00 0.00 H new ATOM 0 HA TYR A 48 3.980 -7.688 -0.602 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.304 -9.037 -2.756 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.994 -9.365 -2.428 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.519 -10.067 0.098 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.692 -10.401 -1.747 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.872 -11.763 1.751 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.041 -12.094 -0.092 1.00 0.00 H new ATOM 0 HH TYR A 48 0.637 -13.276 1.678 1.00 0.00 H new ATOM 747 N LEU A 49 4.684 -5.908 -2.167 1.00 0.00 N ATOM 748 CA LEU A 49 5.204 -4.933 -3.119 1.00 0.00 C ATOM 749 C LEU A 49 6.306 -5.546 -3.978 1.00 0.00 C ATOM 750 O LEU A 49 6.961 -6.506 -3.573 1.00 0.00 O ATOM 751 CB LEU A 49 5.741 -3.706 -2.380 1.00 0.00 C ATOM 752 CG LEU A 49 4.753 -2.995 -1.454 1.00 0.00 C ATOM 753 CD1 LEU A 49 4.687 -3.697 -0.106 1.00 0.00 C ATOM 754 CD2 LEU A 49 5.143 -1.535 -1.278 1.00 0.00 C ATOM 0 H LEU A 49 5.177 -5.930 -1.274 1.00 0.00 H new ATOM 0 HA LEU A 49 4.387 -4.627 -3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.606 -4.011 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.097 -2.988 -3.119 1.00 0.00 H new ATOM 0 HG LEU A 49 3.764 -3.033 -1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.979 -3.178 0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.361 -4.727 -0.248 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.674 -3.690 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.429 -1.045 -0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.141 -1.475 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.139 -1.038 -2.248 1.00 0.00 H new ATOM 766 N TYR A 50 6.507 -4.982 -5.164 1.00 0.00 N ATOM 767 CA TYR A 50 7.529 -5.472 -6.080 1.00 0.00 C ATOM 768 C TYR A 50 8.100 -4.334 -6.919 1.00 0.00 C ATOM 769 O TYR A 50 7.367 -3.464 -7.390 1.00 0.00 O ATOM 770 CB TYR A 50 6.949 -6.553 -6.994 1.00 0.00 C ATOM 771 CG TYR A 50 6.338 -7.715 -6.245 1.00 0.00 C ATOM 772 CD1 TYR A 50 7.138 -8.644 -5.592 1.00 0.00 C ATOM 773 CD2 TYR A 50 4.959 -7.884 -6.190 1.00 0.00 C ATOM 774 CE1 TYR A 50 6.583 -9.708 -4.907 1.00 0.00 C ATOM 775 CE2 TYR A 50 4.396 -8.944 -5.507 1.00 0.00 C ATOM 776 CZ TYR A 50 5.212 -9.854 -4.867 1.00 0.00 C ATOM 777 OH TYR A 50 4.656 -10.912 -4.185 1.00 0.00 O ATOM 0 H TYR A 50 5.975 -4.185 -5.513 1.00 0.00 H new ATOM 0 HA TYR A 50 8.336 -5.902 -5.487 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.190 -6.106 -7.636 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.738 -6.927 -7.647 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.212 -8.533 -5.620 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.317 -7.174 -6.690 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.220 -10.422 -4.405 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.323 -9.060 -5.474 1.00 0.00 H new ATOM 0 HH TYR A 50 5.240 -11.163 -3.439 1.00 0.00 H new ATOM 787 N LYS A 51 9.416 -4.346 -7.104 1.00 0.00 N ATOM 788 CA LYS A 51 10.089 -3.316 -7.887 1.00 0.00 C ATOM 789 C LYS A 51 9.838 -3.517 -9.378 1.00 0.00 C ATOM 790 O LYS A 51 9.916 -2.571 -10.163 1.00 0.00 O ATOM 791 CB LYS A 51 11.593 -3.334 -7.606 1.00 0.00 C ATOM 792 CG LYS A 51 12.287 -4.597 -8.085 1.00 0.00 C ATOM 793 CD LYS A 51 13.799 -4.447 -8.061 1.00 0.00 C ATOM 794 CE LYS A 51 14.374 -4.822 -6.704 1.00 0.00 C ATOM 795 NZ LYS A 51 15.827 -5.141 -6.786 1.00 0.00 N ATOM 0 H LYS A 51 10.038 -5.058 -6.722 1.00 0.00 H new ATOM 0 HA LYS A 51 9.682 -2.348 -7.594 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.054 -2.472 -8.087 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.755 -3.225 -6.534 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.994 -5.436 -7.454 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.960 -4.831 -9.098 1.00 0.00 H new ATOM 0 HD2 LYS A 51 14.241 -5.079 -8.832 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.068 -3.418 -8.300 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.222 -3.999 -6.005 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.835 -5.682 -6.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 16.181 -5.392 -5.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.971 -5.942 -7.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 16.345 -4.312 -7.141 1.00 0.00 H new ATOM 809 N ASP A 52 9.535 -4.752 -9.762 1.00 0.00 N ATOM 810 CA ASP A 52 9.269 -5.075 -11.159 1.00 0.00 C ATOM 811 C ASP A 52 7.921 -5.773 -11.308 1.00 0.00 C ATOM 812 O ASP A 52 7.266 -6.101 -10.319 1.00 0.00 O ATOM 813 CB ASP A 52 10.381 -5.963 -11.719 1.00 0.00 C ATOM 814 CG ASP A 52 11.628 -5.176 -12.073 1.00 0.00 C ATOM 815 OD1 ASP A 52 11.491 -4.056 -12.608 1.00 0.00 O ATOM 816 OD2 ASP A 52 12.741 -5.680 -11.813 1.00 0.00 O ATOM 0 H ASP A 52 9.467 -5.546 -9.125 1.00 0.00 H new ATOM 0 HA ASP A 52 9.240 -4.143 -11.723 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.634 -6.729 -10.986 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.017 -6.480 -12.607 1.00 0.00 H new ATOM 821 N LYS A 53 7.510 -5.995 -12.552 1.00 0.00 N ATOM 822 CA LYS A 53 6.240 -6.653 -12.833 1.00 0.00 C ATOM 823 C LYS A 53 6.464 -8.013 -13.488 1.00 0.00 C ATOM 824 O LYS A 53 5.600 -8.888 -13.435 1.00 0.00 O ATOM 825 CB LYS A 53 5.376 -5.775 -13.741 1.00 0.00 C ATOM 826 CG LYS A 53 3.950 -6.275 -13.895 1.00 0.00 C ATOM 827 CD LYS A 53 3.224 -5.554 -15.018 1.00 0.00 C ATOM 828 CE LYS A 53 1.766 -5.980 -15.103 1.00 0.00 C ATOM 829 NZ LYS A 53 1.609 -7.282 -15.810 1.00 0.00 N ATOM 0 H LYS A 53 8.039 -5.728 -13.382 1.00 0.00 H new ATOM 0 HA LYS A 53 5.722 -6.806 -11.886 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.355 -4.762 -13.339 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.840 -5.718 -14.726 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.959 -7.346 -14.095 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.410 -6.130 -12.959 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.281 -4.477 -14.857 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.721 -5.761 -15.966 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.352 -6.060 -14.098 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.193 -5.213 -15.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.602 -7.538 -15.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.981 -7.199 -16.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.135 -8.020 -15.299 1.00 0.00 H new ATOM 1014 N PRO A 65 6.532 -7.456 3.082 1.00 0.00 N ATOM 1015 CA PRO A 65 5.067 -7.420 3.128 1.00 0.00 C ATOM 1016 C PRO A 65 4.543 -6.865 4.449 1.00 0.00 C ATOM 1017 O PRO A 65 5.113 -7.120 5.510 1.00 0.00 O ATOM 1018 CB PRO A 65 4.671 -8.890 2.970 1.00 0.00 C ATOM 1019 CG PRO A 65 5.848 -9.655 3.470 1.00 0.00 C ATOM 1020 CD PRO A 65 7.056 -8.831 3.120 1.00 0.00 C ATOM 0 HA PRO A 65 4.650 -6.768 2.360 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.774 -9.123 3.545 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.454 -9.132 1.930 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.782 -9.813 4.546 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.899 -10.640 3.006 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.846 -8.940 3.864 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.479 -9.126 2.160 1.00 0.00 H new ATOM 1028 N ILE A 66 3.454 -6.108 4.376 1.00 0.00 N ATOM 1029 CA ILE A 66 2.852 -5.519 5.566 1.00 0.00 C ATOM 1030 C ILE A 66 1.410 -5.982 5.739 1.00 0.00 C ATOM 1031 O ILE A 66 0.523 -5.579 4.986 1.00 0.00 O ATOM 1032 CB ILE A 66 2.882 -3.980 5.510 1.00 0.00 C ATOM 1033 CG1 ILE A 66 4.262 -3.491 5.066 1.00 0.00 C ATOM 1034 CG2 ILE A 66 2.517 -3.394 6.865 1.00 0.00 C ATOM 1035 CD1 ILE A 66 4.243 -2.114 4.442 1.00 0.00 C ATOM 0 H ILE A 66 2.970 -5.888 3.505 1.00 0.00 H new ATOM 0 HA ILE A 66 3.444 -5.855 6.418 1.00 0.00 H new ATOM 0 HB ILE A 66 2.146 -3.643 4.780 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.930 -3.481 5.928 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.677 -4.200 4.349 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.543 -2.306 6.810 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.515 -3.720 7.144 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.232 -3.736 7.614 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.255 -1.832 4.151 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.602 -2.123 3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.859 -1.393 5.163 1.00 0.00 H new ATOM 1047 N SER A 67 1.182 -6.831 6.737 1.00 0.00 N ATOM 1048 CA SER A 67 -0.153 -7.351 7.008 1.00 0.00 C ATOM 1049 C SER A 67 -1.105 -6.225 7.404 1.00 0.00 C ATOM 1050 O SER A 67 -1.079 -5.745 8.537 1.00 0.00 O ATOM 1051 CB SER A 67 -0.099 -8.401 8.118 1.00 0.00 C ATOM 1052 OG SER A 67 0.844 -9.416 7.815 1.00 0.00 O ATOM 0 H SER A 67 1.904 -7.173 7.371 1.00 0.00 H new ATOM 0 HA SER A 67 -0.527 -7.816 6.096 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.166 -7.924 9.062 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.086 -8.845 8.251 1.00 0.00 H new ATOM 0 HG SER A 67 0.861 -10.074 8.541 1.00 0.00 H new ATOM 1058 N VAL A 68 -1.944 -5.809 6.460 1.00 0.00 N ATOM 1059 CA VAL A 68 -2.905 -4.741 6.709 1.00 0.00 C ATOM 1060 C VAL A 68 -4.159 -5.278 7.390 1.00 0.00 C ATOM 1061 O VAL A 68 -5.256 -4.759 7.191 1.00 0.00 O ATOM 1062 CB VAL A 68 -3.307 -4.033 5.402 1.00 0.00 C ATOM 1063 CG1 VAL A 68 -2.073 -3.564 4.647 1.00 0.00 C ATOM 1064 CG2 VAL A 68 -4.154 -4.953 4.536 1.00 0.00 C ATOM 0 H VAL A 68 -1.977 -6.195 5.517 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.417 -4.023 7.368 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.905 -3.157 5.653 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.377 -3.066 3.726 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.510 -2.867 5.268 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.446 -4.422 4.405 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.429 -4.436 3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.584 -5.849 4.292 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.057 -5.234 5.078 1.00 0.00 H new ATOM 1074 N ASN A 69 -3.988 -6.322 8.195 1.00 0.00 N ATOM 1075 CA ASN A 69 -5.107 -6.930 8.906 1.00 0.00 C ATOM 1076 C ASN A 69 -5.628 -6.000 9.997 1.00 0.00 C ATOM 1077 O ASN A 69 -4.981 -5.811 11.026 1.00 0.00 O ATOM 1078 CB ASN A 69 -4.682 -8.266 9.519 1.00 0.00 C ATOM 1079 CG ASN A 69 -5.868 -9.146 9.865 1.00 0.00 C ATOM 1080 OD1 ASN A 69 -6.461 -9.780 8.992 1.00 0.00 O ATOM 1081 ND2 ASN A 69 -6.220 -9.188 11.145 1.00 0.00 N ATOM 0 H ASN A 69 -3.086 -6.764 8.371 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.909 -7.105 8.189 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.033 -8.794 8.820 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.096 -8.080 10.419 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -7.010 -9.762 11.438 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.700 -8.646 11.835 1.00 0.00 H new ATOM 1088 N ALA A 70 -6.802 -5.423 9.764 1.00 0.00 N ATOM 1089 CA ALA A 70 -7.412 -4.515 10.728 1.00 0.00 C ATOM 1090 C ALA A 70 -6.613 -3.222 10.845 1.00 0.00 C ATOM 1091 O ALA A 70 -6.201 -2.832 11.938 1.00 0.00 O ATOM 1092 CB ALA A 70 -7.530 -5.189 12.086 1.00 0.00 C ATOM 0 H ALA A 70 -7.350 -5.568 8.916 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.411 -4.263 10.372 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.987 -4.500 12.796 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.149 -6.081 11.997 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.538 -5.470 12.440 1.00 0.00 H new ATOM 1098 N CYS A 71 -6.397 -2.561 9.713 1.00 0.00 N ATOM 1099 CA CYS A 71 -5.645 -1.311 9.688 1.00 0.00 C ATOM 1100 C CYS A 71 -6.557 -0.135 9.355 1.00 0.00 C ATOM 1101 O CYS A 71 -7.723 -0.319 9.003 1.00 0.00 O ATOM 1102 CB CYS A 71 -4.508 -1.395 8.669 1.00 0.00 C ATOM 1103 SG CYS A 71 -3.110 -2.409 9.205 1.00 0.00 S ATOM 0 H CYS A 71 -6.732 -2.870 8.800 1.00 0.00 H new ATOM 0 HA CYS A 71 -5.222 -1.150 10.680 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -4.900 -1.800 7.736 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -4.151 -0.388 8.455 1.00 0.00 H new ATOM 0 HG CYS A 71 -3.516 -3.624 9.429 1.00 0.00 H new ATOM 1109 N LEU A 72 -6.020 1.075 9.471 1.00 0.00 N ATOM 1110 CA LEU A 72 -6.785 2.283 9.184 1.00 0.00 C ATOM 1111 C LEU A 72 -6.299 2.942 7.897 1.00 0.00 C ATOM 1112 O LEU A 72 -5.151 2.762 7.490 1.00 0.00 O ATOM 1113 CB LEU A 72 -6.676 3.269 10.348 1.00 0.00 C ATOM 1114 CG LEU A 72 -6.946 4.736 10.013 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -7.526 5.460 11.218 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -5.671 5.419 9.541 1.00 0.00 C ATOM 0 H LEU A 72 -5.057 1.245 9.762 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.829 1.999 9.054 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.374 2.960 11.126 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.674 3.192 10.770 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.676 4.776 9.205 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.712 6.503 10.961 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.463 4.986 11.511 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.820 5.411 12.047 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.882 6.462 9.307 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.919 5.369 10.328 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.297 4.916 8.649 1.00 0.00 H new ATOM 1128 N ILE A 73 -7.180 3.708 7.262 1.00 0.00 N ATOM 1129 CA ILE A 73 -6.840 4.397 6.023 1.00 0.00 C ATOM 1130 C ILE A 73 -7.509 5.765 5.953 1.00 0.00 C ATOM 1131 O ILE A 73 -8.681 5.913 6.302 1.00 0.00 O ATOM 1132 CB ILE A 73 -7.251 3.573 4.789 1.00 0.00 C ATOM 1133 CG1 ILE A 73 -6.229 2.466 4.524 1.00 0.00 C ATOM 1134 CG2 ILE A 73 -7.391 4.475 3.572 1.00 0.00 C ATOM 1135 CD1 ILE A 73 -6.721 1.407 3.562 1.00 0.00 C ATOM 0 H ILE A 73 -8.134 3.867 7.585 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.757 4.524 6.020 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.218 3.109 4.986 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.318 2.912 4.126 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.965 1.992 5.470 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.682 3.878 2.708 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.153 5.230 3.764 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.438 4.965 3.370 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.945 0.655 3.421 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.615 0.934 3.968 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.958 1.868 2.603 1.00 0.00 H new ATOM 1147 N ASP A 74 -6.758 6.763 5.499 1.00 0.00 N ATOM 1148 CA ASP A 74 -7.279 8.119 5.380 1.00 0.00 C ATOM 1149 C ASP A 74 -6.658 8.837 4.186 1.00 0.00 C ATOM 1150 O ASP A 74 -5.469 8.681 3.906 1.00 0.00 O ATOM 1151 CB ASP A 74 -7.008 8.907 6.663 1.00 0.00 C ATOM 1152 CG ASP A 74 -8.022 8.612 7.750 1.00 0.00 C ATOM 1153 OD1 ASP A 74 -9.060 7.991 7.439 1.00 0.00 O ATOM 1154 OD2 ASP A 74 -7.779 9.002 8.911 1.00 0.00 O ATOM 0 H ASP A 74 -5.786 6.658 5.207 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.356 8.056 5.223 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.009 8.668 7.028 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.019 9.974 6.440 1.00 0.00 H new ATOM 1159 N ILE A 75 -7.470 9.623 3.487 1.00 0.00 N ATOM 1160 CA ILE A 75 -7.000 10.364 2.323 1.00 0.00 C ATOM 1161 C ILE A 75 -5.892 11.341 2.704 1.00 0.00 C ATOM 1162 O ILE A 75 -6.155 12.404 3.265 1.00 0.00 O ATOM 1163 CB ILE A 75 -8.146 11.142 1.651 1.00 0.00 C ATOM 1164 CG1 ILE A 75 -9.214 10.176 1.135 1.00 0.00 C ATOM 1165 CG2 ILE A 75 -7.609 12.001 0.516 1.00 0.00 C ATOM 1166 CD1 ILE A 75 -10.460 10.867 0.626 1.00 0.00 C ATOM 0 H ILE A 75 -8.456 9.763 3.706 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.608 9.630 1.619 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.603 11.798 2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.789 9.573 0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.490 9.491 1.937 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.431 12.545 0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.881 12.711 0.910 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.129 11.364 -0.227 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.173 10.120 0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -10.909 11.448 1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.197 11.531 -0.197 1.00 0.00 H new ATOM 1178 N SER A 76 -4.654 10.972 2.394 1.00 0.00 N ATOM 1179 CA SER A 76 -3.505 11.815 2.706 1.00 0.00 C ATOM 1180 C SER A 76 -3.867 13.292 2.587 1.00 0.00 C ATOM 1181 O SER A 76 -4.450 13.722 1.591 1.00 0.00 O ATOM 1182 CB SER A 76 -2.337 11.487 1.773 1.00 0.00 C ATOM 1183 OG SER A 76 -2.549 12.029 0.481 1.00 0.00 O ATOM 0 H SER A 76 -4.420 10.096 1.927 1.00 0.00 H new ATOM 0 HA SER A 76 -3.206 11.614 3.735 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.412 11.884 2.190 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.217 10.406 1.702 1.00 0.00 H new ATOM 0 HG SER A 76 -3.167 11.454 -0.018 1.00 0.00 H new ATOM 1189 N TYR A 77 -3.516 14.065 3.609 1.00 0.00 N ATOM 1190 CA TYR A 77 -3.805 15.494 3.621 1.00 0.00 C ATOM 1191 C TYR A 77 -3.547 16.114 2.252 1.00 0.00 C ATOM 1192 O TYR A 77 -2.864 15.528 1.411 1.00 0.00 O ATOM 1193 CB TYR A 77 -2.955 16.198 4.681 1.00 0.00 C ATOM 1194 CG TYR A 77 -1.621 15.531 4.928 1.00 0.00 C ATOM 1195 CD1 TYR A 77 -0.762 15.239 3.876 1.00 0.00 C ATOM 1196 CD2 TYR A 77 -1.219 15.195 6.215 1.00 0.00 C ATOM 1197 CE1 TYR A 77 0.457 14.629 4.098 1.00 0.00 C ATOM 1198 CE2 TYR A 77 0.000 14.586 6.446 1.00 0.00 C ATOM 1199 CZ TYR A 77 0.834 14.305 5.384 1.00 0.00 C ATOM 1200 OH TYR A 77 2.049 13.699 5.609 1.00 0.00 O ATOM 0 H TYR A 77 -3.031 13.726 4.440 1.00 0.00 H new ATOM 0 HA TYR A 77 -4.859 15.624 3.865 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.784 17.229 4.372 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.513 16.234 5.617 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.052 15.493 2.867 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.870 15.413 7.049 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.112 14.407 3.268 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.298 14.332 7.452 1.00 0.00 H new ATOM 0 HH TYR A 77 2.162 13.539 6.569 1.00 0.00 H new ATOM 1210 N SER A 78 -4.097 17.304 2.035 1.00 0.00 N ATOM 1211 CA SER A 78 -3.930 18.004 0.767 1.00 0.00 C ATOM 1212 C SER A 78 -2.632 18.806 0.756 1.00 0.00 C ATOM 1213 O SER A 78 -2.527 19.827 0.077 1.00 0.00 O ATOM 1214 CB SER A 78 -5.119 18.933 0.512 1.00 0.00 C ATOM 1215 OG SER A 78 -5.049 19.507 -0.782 1.00 0.00 O ATOM 0 H SER A 78 -4.662 17.804 2.721 1.00 0.00 H new ATOM 0 HA SER A 78 -3.883 17.259 -0.027 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.049 18.375 0.616 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.135 19.723 1.263 1.00 0.00 H new ATOM 0 HG SER A 78 -4.125 19.770 -0.973 1.00 0.00 H new ATOM 1221 N GLU A 79 -1.646 18.336 1.514 1.00 0.00 N ATOM 1222 CA GLU A 79 -0.356 19.009 1.592 1.00 0.00 C ATOM 1223 C GLU A 79 0.582 18.518 0.493 1.00 0.00 C ATOM 1224 O GLU A 79 1.058 19.302 -0.330 1.00 0.00 O ATOM 1225 CB GLU A 79 0.283 18.778 2.963 1.00 0.00 C ATOM 1226 CG GLU A 79 1.184 19.915 3.415 1.00 0.00 C ATOM 1227 CD GLU A 79 0.423 21.012 4.133 1.00 0.00 C ATOM 1228 OE1 GLU A 79 0.142 20.846 5.339 1.00 0.00 O ATOM 1229 OE2 GLU A 79 0.109 22.036 3.491 1.00 0.00 O ATOM 0 H GLU A 79 -1.717 17.492 2.082 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.524 20.077 1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.505 18.635 3.702 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.863 17.856 2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.956 19.521 4.076 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.692 20.338 2.548 1.00 0.00 H new ATOM 1236 N THR A 80 0.845 17.215 0.486 1.00 0.00 N ATOM 1237 CA THR A 80 1.727 16.619 -0.510 1.00 0.00 C ATOM 1238 C THR A 80 1.370 17.093 -1.914 1.00 0.00 C ATOM 1239 O THR A 80 0.195 17.222 -2.258 1.00 0.00 O ATOM 1240 CB THR A 80 1.662 15.080 -0.468 1.00 0.00 C ATOM 1241 OG1 THR A 80 2.623 14.525 -1.373 1.00 0.00 O ATOM 1242 CG2 THR A 80 0.270 14.587 -0.832 1.00 0.00 C ATOM 0 H THR A 80 0.460 16.552 1.159 1.00 0.00 H new ATOM 0 HA THR A 80 2.740 16.940 -0.268 1.00 0.00 H new ATOM 0 HB THR A 80 1.890 14.756 0.547 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.809 13.596 -1.123 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.249 13.498 -0.796 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.455 14.988 -0.124 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.017 14.921 -1.838 1.00 0.00 H new ATOM 1250 N LYS A 81 2.392 17.351 -2.723 1.00 0.00 N ATOM 1251 CA LYS A 81 2.188 17.810 -4.092 1.00 0.00 C ATOM 1252 C LYS A 81 1.852 16.641 -5.013 1.00 0.00 C ATOM 1253 O LYS A 81 2.413 16.514 -6.101 1.00 0.00 O ATOM 1254 CB LYS A 81 3.437 18.531 -4.602 1.00 0.00 C ATOM 1255 CG LYS A 81 3.211 19.302 -5.891 1.00 0.00 C ATOM 1256 CD LYS A 81 2.423 20.578 -5.647 1.00 0.00 C ATOM 1257 CE LYS A 81 1.885 21.157 -6.947 1.00 0.00 C ATOM 1258 NZ LYS A 81 0.585 20.541 -7.332 1.00 0.00 N ATOM 0 H LYS A 81 3.371 17.250 -2.454 1.00 0.00 H new ATOM 0 HA LYS A 81 1.348 18.505 -4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.788 19.220 -3.833 1.00 0.00 H new ATOM 0 HB3 LYS A 81 4.229 17.799 -4.760 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.172 19.548 -6.342 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.676 18.673 -6.603 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.595 20.372 -4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.061 21.313 -5.156 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.759 22.234 -6.840 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.612 20.999 -7.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.252 20.962 -8.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.710 19.516 -7.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.116 20.714 -6.584 1.00 0.00 H new ATOM 1272 N ARG A 82 0.932 15.790 -4.570 1.00 0.00 N ATOM 1273 CA ARG A 82 0.521 14.632 -5.354 1.00 0.00 C ATOM 1274 C ARG A 82 -0.986 14.414 -5.253 1.00 0.00 C ATOM 1275 O ARG A 82 -1.615 14.797 -4.267 1.00 0.00 O ATOM 1276 CB ARG A 82 1.261 13.380 -4.881 1.00 0.00 C ATOM 1277 CG ARG A 82 2.774 13.530 -4.884 1.00 0.00 C ATOM 1278 CD ARG A 82 3.430 12.572 -3.902 1.00 0.00 C ATOM 1279 NE ARG A 82 3.725 11.279 -4.513 1.00 0.00 N ATOM 1280 CZ ARG A 82 4.715 11.083 -5.377 1.00 0.00 C ATOM 1281 NH1 ARG A 82 5.501 12.091 -5.730 1.00 0.00 N ATOM 1282 NH2 ARG A 82 4.920 9.876 -5.890 1.00 0.00 N ATOM 0 H ARG A 82 0.457 15.881 -3.672 1.00 0.00 H new ATOM 0 HA ARG A 82 0.774 14.823 -6.397 1.00 0.00 H new ATOM 0 HB2 ARG A 82 0.931 13.132 -3.872 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.986 12.542 -5.521 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.157 13.344 -5.887 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.040 14.555 -4.627 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.353 13.014 -3.526 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.773 12.426 -3.044 1.00 0.00 H new ATOM 0 HE ARG A 82 3.139 10.483 -4.263 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.346 13.020 -5.338 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.260 11.937 -6.394 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.317 9.098 -5.621 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.680 9.726 -6.553 1.00 0.00 H new ATOM 1296 N LYS A 83 -1.559 13.796 -6.280 1.00 0.00 N ATOM 1297 CA LYS A 83 -2.992 13.525 -6.308 1.00 0.00 C ATOM 1298 C LYS A 83 -3.268 12.037 -6.119 1.00 0.00 C ATOM 1299 O LYS A 83 -2.343 11.231 -6.028 1.00 0.00 O ATOM 1300 CB LYS A 83 -3.596 14.003 -7.630 1.00 0.00 C ATOM 1301 CG LYS A 83 -3.467 15.500 -7.852 1.00 0.00 C ATOM 1302 CD LYS A 83 -4.137 15.932 -9.146 1.00 0.00 C ATOM 1303 CE LYS A 83 -3.239 15.686 -10.348 1.00 0.00 C ATOM 1304 NZ LYS A 83 -4.004 15.705 -11.626 1.00 0.00 N ATOM 0 H LYS A 83 -1.053 13.473 -7.105 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.456 14.070 -5.486 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.109 13.479 -8.453 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.651 13.730 -7.658 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.915 16.033 -7.014 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.413 15.775 -7.878 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.073 15.387 -9.272 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.390 16.991 -9.090 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.459 16.447 -10.380 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.740 14.723 -10.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.356 15.533 -12.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.732 14.962 -11.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.459 16.633 -11.744 1.00 0.00 H new ATOM 1318 N ASN A 84 -4.547 11.679 -6.064 1.00 0.00 N ATOM 1319 CA ASN A 84 -4.944 10.287 -5.887 1.00 0.00 C ATOM 1320 C ASN A 84 -3.996 9.568 -4.932 1.00 0.00 C ATOM 1321 O ASN A 84 -3.492 8.487 -5.238 1.00 0.00 O ATOM 1322 CB ASN A 84 -4.970 9.567 -7.236 1.00 0.00 C ATOM 1323 CG ASN A 84 -3.963 10.138 -8.216 1.00 0.00 C ATOM 1324 OD1 ASN A 84 -2.755 9.977 -8.046 1.00 0.00 O ATOM 1325 ND2 ASN A 84 -4.458 10.811 -9.249 1.00 0.00 N ATOM 0 H ASN A 84 -5.326 12.333 -6.139 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.945 10.273 -5.456 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.764 8.508 -7.083 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.970 9.639 -7.664 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.829 11.219 -9.941 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.467 10.920 -9.350 1.00 0.00 H new ATOM 1332 N VAL A 85 -3.758 10.175 -3.774 1.00 0.00 N ATOM 1333 CA VAL A 85 -2.872 9.592 -2.773 1.00 0.00 C ATOM 1334 C VAL A 85 -3.608 9.353 -1.460 1.00 0.00 C ATOM 1335 O VAL A 85 -4.305 10.235 -0.956 1.00 0.00 O ATOM 1336 CB VAL A 85 -1.653 10.496 -2.509 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -0.839 9.965 -1.339 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -0.794 10.610 -3.759 1.00 0.00 C ATOM 0 H VAL A 85 -4.166 11.070 -3.506 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.528 8.638 -3.172 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.010 11.493 -2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.018 10.616 -1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.461 9.940 -0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.490 8.958 -1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.063 11.252 -3.554 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.444 9.620 -4.051 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.384 11.040 -4.568 1.00 0.00 H new ATOM 1348 N PHE A 86 -3.449 8.155 -0.908 1.00 0.00 N ATOM 1349 CA PHE A 86 -4.099 7.799 0.348 1.00 0.00 C ATOM 1350 C PHE A 86 -3.072 7.356 1.385 1.00 0.00 C ATOM 1351 O PHE A 86 -2.098 6.677 1.060 1.00 0.00 O ATOM 1352 CB PHE A 86 -5.122 6.684 0.119 1.00 0.00 C ATOM 1353 CG PHE A 86 -4.647 5.619 -0.827 1.00 0.00 C ATOM 1354 CD1 PHE A 86 -4.399 5.915 -2.158 1.00 0.00 C ATOM 1355 CD2 PHE A 86 -4.447 4.321 -0.385 1.00 0.00 C ATOM 1356 CE1 PHE A 86 -3.961 4.937 -3.031 1.00 0.00 C ATOM 1357 CE2 PHE A 86 -4.008 3.338 -1.253 1.00 0.00 C ATOM 1358 CZ PHE A 86 -3.766 3.646 -2.578 1.00 0.00 C ATOM 0 H PHE A 86 -2.875 7.414 -1.311 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.613 8.683 0.726 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.367 6.225 1.077 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.042 7.120 -0.270 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.550 6.922 -2.517 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.636 4.074 0.649 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.771 5.181 -4.066 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.854 2.331 -0.896 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.425 2.879 -3.258 1.00 0.00 H new ATOM 1368 N ARG A 87 -3.297 7.746 2.636 1.00 0.00 N ATOM 1369 CA ARG A 87 -2.391 7.391 3.721 1.00 0.00 C ATOM 1370 C ARG A 87 -2.946 6.225 4.534 1.00 0.00 C ATOM 1371 O ARG A 87 -4.094 6.256 4.979 1.00 0.00 O ATOM 1372 CB ARG A 87 -2.158 8.597 4.634 1.00 0.00 C ATOM 1373 CG ARG A 87 -1.052 8.384 5.654 1.00 0.00 C ATOM 1374 CD ARG A 87 -1.029 9.495 6.692 1.00 0.00 C ATOM 1375 NE ARG A 87 -1.884 9.193 7.836 1.00 0.00 N ATOM 1376 CZ ARG A 87 -1.821 9.845 8.992 1.00 0.00 C ATOM 1377 NH1 ARG A 87 -0.949 10.830 9.156 1.00 0.00 N ATOM 1378 NH2 ARG A 87 -2.633 9.512 9.988 1.00 0.00 N ATOM 0 H ARG A 87 -4.099 8.308 2.923 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.441 7.086 3.282 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.913 9.464 4.021 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.085 8.829 5.159 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.193 7.424 6.150 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.089 8.341 5.145 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.006 9.649 7.035 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.355 10.428 6.232 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.567 8.441 7.743 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.324 11.090 8.393 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.904 11.328 10.045 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.306 8.755 9.866 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.584 10.013 10.875 1.00 0.00 H new ATOM 1392 N LEU A 88 -2.125 5.199 4.723 1.00 0.00 N ATOM 1393 CA LEU A 88 -2.533 4.022 5.482 1.00 0.00 C ATOM 1394 C LEU A 88 -1.638 3.822 6.701 1.00 0.00 C ATOM 1395 O LEU A 88 -0.421 3.998 6.627 1.00 0.00 O ATOM 1396 CB LEU A 88 -2.489 2.777 4.594 1.00 0.00 C ATOM 1397 CG LEU A 88 -2.479 1.433 5.322 1.00 0.00 C ATOM 1398 CD1 LEU A 88 -3.179 0.370 4.489 1.00 0.00 C ATOM 1399 CD2 LEU A 88 -1.053 1.009 5.641 1.00 0.00 C ATOM 0 H LEU A 88 -1.172 5.158 4.361 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.555 4.180 5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.351 2.800 3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.600 2.834 3.967 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.021 1.546 6.261 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.162 -0.580 5.023 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.212 0.669 4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.665 0.259 3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.066 0.050 6.159 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.486 0.914 4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.584 1.759 6.278 1.00 0.00 H new ATOM 1411 N THR A 89 -2.248 3.451 7.822 1.00 0.00 N ATOM 1412 CA THR A 89 -1.507 3.225 9.057 1.00 0.00 C ATOM 1413 C THR A 89 -1.771 1.830 9.610 1.00 0.00 C ATOM 1414 O THR A 89 -2.922 1.427 9.783 1.00 0.00 O ATOM 1415 CB THR A 89 -1.872 4.269 10.130 1.00 0.00 C ATOM 1416 OG1 THR A 89 -1.580 5.586 9.652 1.00 0.00 O ATOM 1417 CG2 THR A 89 -1.107 4.010 11.419 1.00 0.00 C ATOM 0 H THR A 89 -3.254 3.301 7.900 1.00 0.00 H new ATOM 0 HA THR A 89 -0.449 3.321 8.813 1.00 0.00 H new ATOM 0 HB THR A 89 -2.939 4.187 10.337 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.816 6.243 10.339 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.381 4.759 12.162 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.355 3.018 11.796 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.036 4.067 11.224 1.00 0.00 H new ATOM 1425 N THR A 90 -0.699 1.095 9.888 1.00 0.00 N ATOM 1426 CA THR A 90 -0.815 -0.256 10.422 1.00 0.00 C ATOM 1427 C THR A 90 -0.287 -0.331 11.850 1.00 0.00 C ATOM 1428 O THR A 90 0.567 0.462 12.248 1.00 0.00 O ATOM 1429 CB THR A 90 -0.052 -1.272 9.551 1.00 0.00 C ATOM 1430 OG1 THR A 90 1.356 -1.019 9.623 1.00 0.00 O ATOM 1431 CG2 THR A 90 -0.512 -1.197 8.103 1.00 0.00 C ATOM 0 H THR A 90 0.260 1.413 9.752 1.00 0.00 H new ATOM 0 HA THR A 90 -1.876 -0.507 10.416 1.00 0.00 H new ATOM 0 HB THR A 90 -0.261 -2.272 9.931 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.550 -0.139 9.238 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.041 -1.923 7.507 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.578 -1.419 8.048 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.329 -0.195 7.715 1.00 0.00 H new ATOM 1439 N SER A 91 -0.800 -1.288 12.616 1.00 0.00 N ATOM 1440 CA SER A 91 -0.382 -1.463 14.002 1.00 0.00 C ATOM 1441 C SER A 91 1.139 -1.524 14.107 1.00 0.00 C ATOM 1442 O SER A 91 1.709 -1.276 15.170 1.00 0.00 O ATOM 1443 CB SER A 91 -0.996 -2.738 14.584 1.00 0.00 C ATOM 1444 OG SER A 91 -0.851 -2.776 15.994 1.00 0.00 O ATOM 0 H SER A 91 -1.505 -1.954 12.301 1.00 0.00 H new ATOM 0 HA SER A 91 -0.734 -0.604 14.574 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.053 -2.789 14.322 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.516 -3.611 14.142 1.00 0.00 H new ATOM 0 HG SER A 91 -1.253 -3.599 16.342 1.00 0.00 H new ATOM 1450 N ASP A 92 1.789 -1.855 12.997 1.00 0.00 N ATOM 1451 CA ASP A 92 3.244 -1.947 12.963 1.00 0.00 C ATOM 1452 C ASP A 92 3.867 -0.597 12.622 1.00 0.00 C ATOM 1453 O ASP A 92 4.505 0.034 13.465 1.00 0.00 O ATOM 1454 CB ASP A 92 3.686 -2.999 11.943 1.00 0.00 C ATOM 1455 CG ASP A 92 5.128 -3.424 12.137 1.00 0.00 C ATOM 1456 OD1 ASP A 92 5.463 -3.895 13.245 1.00 0.00 O ATOM 1457 OD2 ASP A 92 5.920 -3.288 11.182 1.00 0.00 O ATOM 0 H ASP A 92 1.332 -2.064 12.109 1.00 0.00 H new ATOM 0 HA ASP A 92 3.588 -2.245 13.954 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.039 -3.873 12.023 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.560 -2.600 10.936 1.00 0.00 H new ATOM 1462 N CYS A 93 3.678 -0.161 11.381 1.00 0.00 N ATOM 1463 CA CYS A 93 4.222 1.114 10.928 1.00 0.00 C ATOM 1464 C CYS A 93 3.238 1.830 10.008 1.00 0.00 C ATOM 1465 O CYS A 93 2.213 1.268 9.623 1.00 0.00 O ATOM 1466 CB CYS A 93 5.550 0.896 10.202 1.00 0.00 C ATOM 1467 SG CYS A 93 6.875 0.268 11.260 1.00 0.00 S ATOM 0 H CYS A 93 3.153 -0.672 10.671 1.00 0.00 H new ATOM 0 HA CYS A 93 4.393 1.739 11.804 1.00 0.00 H new ATOM 0 HB2 CYS A 93 5.393 0.196 9.381 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.869 1.840 9.760 1.00 0.00 H new ATOM 0 HG CYS A 93 6.424 0.102 12.468 1.00 0.00 H new ATOM 1473 N GLU A 94 3.556 3.073 9.662 1.00 0.00 N ATOM 1474 CA GLU A 94 2.698 3.866 8.790 1.00 0.00 C ATOM 1475 C GLU A 94 3.362 4.096 7.435 1.00 0.00 C ATOM 1476 O GLU A 94 4.587 4.051 7.318 1.00 0.00 O ATOM 1477 CB GLU A 94 2.370 5.210 9.444 1.00 0.00 C ATOM 1478 CG GLU A 94 1.390 6.053 8.645 1.00 0.00 C ATOM 1479 CD GLU A 94 1.175 7.427 9.250 1.00 0.00 C ATOM 1480 OE1 GLU A 94 0.886 7.502 10.462 1.00 0.00 O ATOM 1481 OE2 GLU A 94 1.296 8.426 8.511 1.00 0.00 O ATOM 0 H GLU A 94 4.401 3.553 9.972 1.00 0.00 H new ATOM 0 HA GLU A 94 1.773 3.311 8.632 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.957 5.030 10.436 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.293 5.773 9.581 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.758 6.163 7.625 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.434 5.533 8.585 1.00 0.00 H new ATOM 1488 N CYS A 95 2.545 4.342 6.417 1.00 0.00 N ATOM 1489 CA CYS A 95 3.053 4.577 5.070 1.00 0.00 C ATOM 1490 C CYS A 95 1.991 5.237 4.197 1.00 0.00 C ATOM 1491 O CYS A 95 0.819 5.304 4.569 1.00 0.00 O ATOM 1492 CB CYS A 95 3.506 3.262 4.436 1.00 0.00 C ATOM 1493 SG CYS A 95 2.170 2.076 4.160 1.00 0.00 S ATOM 0 H CYS A 95 1.529 4.384 6.498 1.00 0.00 H new ATOM 0 HA CYS A 95 3.908 5.249 5.143 1.00 0.00 H new ATOM 0 HB2 CYS A 95 3.988 3.478 3.483 1.00 0.00 H new ATOM 0 HB3 CYS A 95 4.259 2.802 5.077 1.00 0.00 H new ATOM 0 HG CYS A 95 1.578 2.343 3.034 1.00 0.00 H new ATOM 1499 N LEU A 96 2.408 5.726 3.034 1.00 0.00 N ATOM 1500 CA LEU A 96 1.493 6.383 2.107 1.00 0.00 C ATOM 1501 C LEU A 96 1.375 5.593 0.807 1.00 0.00 C ATOM 1502 O LEU A 96 2.133 4.653 0.569 1.00 0.00 O ATOM 1503 CB LEU A 96 1.970 7.806 1.812 1.00 0.00 C ATOM 1504 CG LEU A 96 1.427 8.900 2.731 1.00 0.00 C ATOM 1505 CD1 LEU A 96 2.403 10.064 2.810 1.00 0.00 C ATOM 1506 CD2 LEU A 96 0.065 9.376 2.248 1.00 0.00 C ATOM 0 H LEU A 96 3.374 5.680 2.711 1.00 0.00 H new ATOM 0 HA LEU A 96 0.509 6.426 2.574 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.059 7.821 1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.698 8.053 0.786 1.00 0.00 H new ATOM 0 HG LEU A 96 1.310 8.482 3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.999 10.833 3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.357 9.713 3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.553 10.481 1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.306 10.155 2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.156 9.776 1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.633 8.539 2.245 1.00 0.00 H new ATOM 1518 N PHE A 97 0.421 5.984 -0.032 1.00 0.00 N ATOM 1519 CA PHE A 97 0.205 5.314 -1.309 1.00 0.00 C ATOM 1520 C PHE A 97 -0.327 6.292 -2.353 1.00 0.00 C ATOM 1521 O PHE A 97 -1.063 7.223 -2.027 1.00 0.00 O ATOM 1522 CB PHE A 97 -0.774 4.150 -1.138 1.00 0.00 C ATOM 1523 CG PHE A 97 -0.191 2.981 -0.397 1.00 0.00 C ATOM 1524 CD1 PHE A 97 0.628 2.071 -1.046 1.00 0.00 C ATOM 1525 CD2 PHE A 97 -0.464 2.791 0.948 1.00 0.00 C ATOM 1526 CE1 PHE A 97 1.166 0.994 -0.367 1.00 0.00 C ATOM 1527 CE2 PHE A 97 0.072 1.716 1.632 1.00 0.00 C ATOM 1528 CZ PHE A 97 0.887 0.816 0.974 1.00 0.00 C ATOM 0 H PHE A 97 -0.214 6.761 0.150 1.00 0.00 H new ATOM 0 HA PHE A 97 1.163 4.926 -1.655 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.657 4.504 -0.606 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.106 3.818 -2.121 1.00 0.00 H new ATOM 0 HD1 PHE A 97 0.849 2.205 -2.095 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.102 3.490 1.468 1.00 0.00 H new ATOM 0 HE1 PHE A 97 1.804 0.293 -0.884 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.147 1.580 2.681 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.305 -0.025 1.507 1.00 0.00 H new ATOM 1538 N GLN A 98 0.052 6.072 -3.607 1.00 0.00 N ATOM 1539 CA GLN A 98 -0.385 6.935 -4.699 1.00 0.00 C ATOM 1540 C GLN A 98 -0.874 6.108 -5.884 1.00 0.00 C ATOM 1541 O GLN A 98 -0.268 5.098 -6.240 1.00 0.00 O ATOM 1542 CB GLN A 98 0.755 7.854 -5.139 1.00 0.00 C ATOM 1543 CG GLN A 98 0.506 8.536 -6.475 1.00 0.00 C ATOM 1544 CD GLN A 98 1.577 9.552 -6.820 1.00 0.00 C ATOM 1545 OE1 GLN A 98 2.753 9.212 -6.952 1.00 0.00 O ATOM 1546 NE2 GLN A 98 1.174 10.809 -6.968 1.00 0.00 N ATOM 0 H GLN A 98 0.660 5.305 -3.893 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.214 7.544 -4.338 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.912 8.616 -4.375 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.675 7.273 -5.203 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.459 7.782 -7.261 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.465 9.031 -6.451 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.189 11.046 -6.849 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.849 11.537 -7.200 1.00 0.00 H new ATOM 1555 N ALA A 99 -1.973 6.543 -6.490 1.00 0.00 N ATOM 1556 CA ALA A 99 -2.542 5.844 -7.636 1.00 0.00 C ATOM 1557 C ALA A 99 -2.328 6.634 -8.922 1.00 0.00 C ATOM 1558 O ALA A 99 -1.671 7.675 -8.920 1.00 0.00 O ATOM 1559 CB ALA A 99 -4.024 5.585 -7.413 1.00 0.00 C ATOM 0 H ALA A 99 -2.488 7.377 -6.207 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.029 4.888 -7.739 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.436 5.063 -8.276 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.156 4.972 -6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.543 6.534 -7.281 1.00 0.00 H new ATOM 1565 N GLU A 100 -2.887 6.133 -10.019 1.00 0.00 N ATOM 1566 CA GLU A 100 -2.755 6.793 -11.313 1.00 0.00 C ATOM 1567 C GLU A 100 -3.962 7.684 -11.595 1.00 0.00 C ATOM 1568 O GLU A 100 -3.813 8.852 -11.955 1.00 0.00 O ATOM 1569 CB GLU A 100 -2.603 5.754 -12.427 1.00 0.00 C ATOM 1570 CG GLU A 100 -1.965 4.455 -11.965 1.00 0.00 C ATOM 1571 CD GLU A 100 -2.068 3.354 -13.002 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -1.684 3.597 -14.165 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -2.533 2.249 -12.651 1.00 0.00 O ATOM 0 H GLU A 100 -3.435 5.273 -10.038 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.862 7.418 -11.284 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.585 5.537 -12.847 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.000 6.180 -13.229 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.915 4.633 -11.732 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -2.445 4.127 -11.043 1.00 0.00 H new ATOM 1580 N ASP A 101 -5.155 7.124 -11.428 1.00 0.00 N ATOM 1581 CA ASP A 101 -6.387 7.867 -11.663 1.00 0.00 C ATOM 1582 C ASP A 101 -7.283 7.838 -10.429 1.00 0.00 C ATOM 1583 O ASP A 101 -7.263 6.879 -9.658 1.00 0.00 O ATOM 1584 CB ASP A 101 -7.135 7.288 -12.866 1.00 0.00 C ATOM 1585 CG ASP A 101 -8.006 6.105 -12.491 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -7.452 5.010 -12.257 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -9.242 6.274 -12.431 1.00 0.00 O ATOM 0 H ASP A 101 -5.295 6.158 -11.131 1.00 0.00 H new ATOM 0 HA ASP A 101 -6.123 8.903 -11.873 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -7.755 8.065 -13.313 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.415 6.980 -13.624 1.00 0.00 H new ATOM 1592 N ARG A 102 -8.068 8.895 -10.249 1.00 0.00 N ATOM 1593 CA ARG A 102 -8.970 8.992 -9.107 1.00 0.00 C ATOM 1594 C ARG A 102 -9.663 7.658 -8.848 1.00 0.00 C ATOM 1595 O ARG A 102 -9.596 7.116 -7.744 1.00 0.00 O ATOM 1596 CB ARG A 102 -10.014 10.084 -9.346 1.00 0.00 C ATOM 1597 CG ARG A 102 -10.918 10.334 -8.150 1.00 0.00 C ATOM 1598 CD ARG A 102 -11.814 11.542 -8.372 1.00 0.00 C ATOM 1599 NE ARG A 102 -11.117 12.797 -8.105 1.00 0.00 N ATOM 1600 CZ ARG A 102 -11.726 13.976 -8.036 1.00 0.00 C ATOM 1601 NH1 ARG A 102 -13.038 14.060 -8.214 1.00 0.00 N ATOM 1602 NH2 ARG A 102 -11.024 15.074 -7.788 1.00 0.00 N ATOM 0 H ARG A 102 -8.098 9.696 -10.879 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.378 9.251 -8.229 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.504 11.012 -9.606 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.628 9.807 -10.203 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.533 9.453 -7.967 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -10.310 10.490 -7.259 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -12.177 11.540 -9.400 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -12.688 11.468 -7.725 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.107 12.767 -7.964 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -13.582 13.218 -8.404 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -13.503 14.966 -8.160 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -10.015 15.014 -7.650 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -11.493 15.978 -7.735 1.00 0.00 H new ATOM 1616 N ASP A 103 -10.329 7.134 -9.871 1.00 0.00 N ATOM 1617 CA ASP A 103 -11.035 5.863 -9.755 1.00 0.00 C ATOM 1618 C ASP A 103 -10.139 4.800 -9.128 1.00 0.00 C ATOM 1619 O ASP A 103 -10.523 4.141 -8.161 1.00 0.00 O ATOM 1620 CB ASP A 103 -11.518 5.396 -11.129 1.00 0.00 C ATOM 1621 CG ASP A 103 -12.727 4.486 -11.039 1.00 0.00 C ATOM 1622 OD1 ASP A 103 -13.705 4.863 -10.361 1.00 0.00 O ATOM 1623 OD2 ASP A 103 -12.695 3.396 -11.647 1.00 0.00 O ATOM 0 H ASP A 103 -10.395 7.570 -10.791 1.00 0.00 H new ATOM 0 HA ASP A 103 -11.899 6.013 -9.107 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -11.766 6.265 -11.739 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -10.709 4.871 -11.636 1.00 0.00 H new ATOM 1628 N ASP A 104 -8.944 4.636 -9.686 1.00 0.00 N ATOM 1629 CA ASP A 104 -7.993 3.653 -9.181 1.00 0.00 C ATOM 1630 C ASP A 104 -7.740 3.856 -7.691 1.00 0.00 C ATOM 1631 O ASP A 104 -7.764 2.904 -6.912 1.00 0.00 O ATOM 1632 CB ASP A 104 -6.676 3.744 -9.953 1.00 0.00 C ATOM 1633 CG ASP A 104 -6.654 2.841 -11.171 1.00 0.00 C ATOM 1634 OD1 ASP A 104 -7.363 1.813 -11.160 1.00 0.00 O ATOM 1635 OD2 ASP A 104 -5.929 3.163 -12.135 1.00 0.00 O ATOM 0 H ASP A 104 -8.611 5.171 -10.488 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.422 2.661 -9.325 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -6.512 4.775 -10.266 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -5.852 3.477 -9.292 1.00 0.00 H new ATOM 1640 N MET A 105 -7.495 5.103 -7.302 1.00 0.00 N ATOM 1641 CA MET A 105 -7.236 5.431 -5.905 1.00 0.00 C ATOM 1642 C MET A 105 -8.371 4.940 -5.013 1.00 0.00 C ATOM 1643 O MET A 105 -8.204 3.992 -4.243 1.00 0.00 O ATOM 1644 CB MET A 105 -7.058 6.942 -5.738 1.00 0.00 C ATOM 1645 CG MET A 105 -6.906 7.379 -4.290 1.00 0.00 C ATOM 1646 SD MET A 105 -8.487 7.750 -3.507 1.00 0.00 S ATOM 1647 CE MET A 105 -8.738 9.443 -4.037 1.00 0.00 C ATOM 0 H MET A 105 -7.470 5.903 -7.935 1.00 0.00 H new ATOM 0 HA MET A 105 -6.317 4.929 -5.604 1.00 0.00 H new ATOM 0 HB2 MET A 105 -6.180 7.260 -6.299 1.00 0.00 H new ATOM 0 HB3 MET A 105 -7.917 7.451 -6.175 1.00 0.00 H new ATOM 0 HG2 MET A 105 -6.402 6.592 -3.728 1.00 0.00 H new ATOM 0 HG3 MET A 105 -6.267 8.261 -4.246 1.00 0.00 H new ATOM 0 HE1 MET A 105 -9.679 9.815 -3.632 1.00 0.00 H new ATOM 0 HE2 MET A 105 -7.917 10.063 -3.676 1.00 0.00 H new ATOM 0 HE3 MET A 105 -8.771 9.482 -5.126 1.00 0.00 H new ATOM 1657 N LEU A 106 -9.526 5.588 -5.120 1.00 0.00 N ATOM 1658 CA LEU A 106 -10.689 5.217 -4.322 1.00 0.00 C ATOM 1659 C LEU A 106 -10.844 3.701 -4.258 1.00 0.00 C ATOM 1660 O LEU A 106 -11.060 3.134 -3.188 1.00 0.00 O ATOM 1661 CB LEU A 106 -11.955 5.847 -4.906 1.00 0.00 C ATOM 1662 CG LEU A 106 -12.148 7.339 -4.636 1.00 0.00 C ATOM 1663 CD1 LEU A 106 -13.272 7.896 -5.495 1.00 0.00 C ATOM 1664 CD2 LEU A 106 -12.431 7.583 -3.161 1.00 0.00 C ATOM 0 H LEU A 106 -9.682 6.373 -5.752 1.00 0.00 H new ATOM 0 HA LEU A 106 -10.539 5.591 -3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -11.950 5.691 -5.985 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -12.819 5.312 -4.511 1.00 0.00 H new ATOM 0 HG LEU A 106 -11.226 7.858 -4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -13.395 8.959 -5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -13.029 7.756 -6.548 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -14.200 7.372 -5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -12.566 8.651 -2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -13.338 7.051 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.593 7.222 -2.565 1.00 0.00 H new ATOM 1676 N ALA A 107 -10.731 3.051 -5.412 1.00 0.00 N ATOM 1677 CA ALA A 107 -10.854 1.600 -5.486 1.00 0.00 C ATOM 1678 C ALA A 107 -10.004 0.921 -4.418 1.00 0.00 C ATOM 1679 O ALA A 107 -10.467 0.013 -3.728 1.00 0.00 O ATOM 1680 CB ALA A 107 -10.458 1.108 -6.871 1.00 0.00 C ATOM 0 H ALA A 107 -10.555 3.506 -6.308 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.896 1.338 -5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -10.554 0.023 -6.913 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.111 1.559 -7.618 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -9.425 1.389 -7.075 1.00 0.00 H new ATOM 1686 N TRP A 108 -8.760 1.367 -4.287 1.00 0.00 N ATOM 1687 CA TRP A 108 -7.845 0.801 -3.302 1.00 0.00 C ATOM 1688 C TRP A 108 -8.390 0.975 -1.889 1.00 0.00 C ATOM 1689 O TRP A 108 -8.735 -0.001 -1.223 1.00 0.00 O ATOM 1690 CB TRP A 108 -6.469 1.459 -3.416 1.00 0.00 C ATOM 1691 CG TRP A 108 -5.587 0.817 -4.444 1.00 0.00 C ATOM 1692 CD1 TRP A 108 -5.182 1.359 -5.630 1.00 0.00 C ATOM 1693 CD2 TRP A 108 -5.002 -0.488 -4.376 1.00 0.00 C ATOM 1694 NE1 TRP A 108 -4.381 0.469 -6.304 1.00 0.00 N ATOM 1695 CE2 TRP A 108 -4.254 -0.671 -5.556 1.00 0.00 C ATOM 1696 CE3 TRP A 108 -5.036 -1.519 -3.433 1.00 0.00 C ATOM 1697 CZ2 TRP A 108 -3.549 -1.843 -5.815 1.00 0.00 C ATOM 1698 CZ3 TRP A 108 -4.336 -2.682 -3.692 1.00 0.00 C ATOM 1699 CH2 TRP A 108 -3.600 -2.836 -4.875 1.00 0.00 C ATOM 0 H TRP A 108 -8.362 2.118 -4.850 1.00 0.00 H new ATOM 0 HA TRP A 108 -7.748 -0.266 -3.505 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -6.597 2.512 -3.665 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -5.973 1.419 -2.446 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -5.452 2.342 -5.986 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -3.951 0.631 -7.214 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -5.599 -1.409 -2.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -2.982 -1.964 -6.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -4.356 -3.486 -2.971 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -3.063 -3.757 -5.048 1.00 0.00 H new ATOM 1710 N ILE A 109 -8.466 2.223 -1.439 1.00 0.00 N ATOM 1711 CA ILE A 109 -8.971 2.523 -0.105 1.00 0.00 C ATOM 1712 C ILE A 109 -10.123 1.597 0.268 1.00 0.00 C ATOM 1713 O ILE A 109 -10.130 0.998 1.344 1.00 0.00 O ATOM 1714 CB ILE A 109 -9.448 3.984 0.001 1.00 0.00 C ATOM 1715 CG1 ILE A 109 -8.254 4.939 -0.075 1.00 0.00 C ATOM 1716 CG2 ILE A 109 -10.222 4.197 1.293 1.00 0.00 C ATOM 1717 CD1 ILE A 109 -8.650 6.399 -0.103 1.00 0.00 C ATOM 0 H ILE A 109 -8.185 3.042 -1.978 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.144 2.368 0.587 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.113 4.195 -0.836 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -7.603 4.764 0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -7.673 4.711 -0.969 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.552 5.234 1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.090 3.538 1.310 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.579 3.971 2.144 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.754 7.018 -0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.276 6.590 -0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.205 6.643 0.803 1.00 0.00 H new ATOM 1729 N LYS A 110 -11.097 1.481 -0.628 1.00 0.00 N ATOM 1730 CA LYS A 110 -12.254 0.625 -0.396 1.00 0.00 C ATOM 1731 C LYS A 110 -11.843 -0.843 -0.348 1.00 0.00 C ATOM 1732 O LYS A 110 -11.933 -1.490 0.696 1.00 0.00 O ATOM 1733 CB LYS A 110 -13.300 0.837 -1.493 1.00 0.00 C ATOM 1734 CG LYS A 110 -14.658 0.243 -1.162 1.00 0.00 C ATOM 1735 CD LYS A 110 -15.784 1.033 -1.807 1.00 0.00 C ATOM 1736 CE LYS A 110 -16.299 2.125 -0.882 1.00 0.00 C ATOM 1737 NZ LYS A 110 -15.574 3.410 -1.082 1.00 0.00 N ATOM 0 H LYS A 110 -11.108 1.970 -1.523 1.00 0.00 H new ATOM 0 HA LYS A 110 -12.687 0.895 0.567 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.414 1.906 -1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -12.936 0.395 -2.421 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -14.696 -0.792 -1.503 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.796 0.228 -0.081 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.431 1.479 -2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.601 0.359 -2.066 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.364 2.278 -1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -16.190 1.804 0.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -16.123 4.187 -0.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -14.642 3.357 -0.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -15.451 3.584 -2.100 1.00 0.00 H new ATOM 1751 N THR A 111 -11.391 -1.364 -1.484 1.00 0.00 N ATOM 1752 CA THR A 111 -10.966 -2.756 -1.571 1.00 0.00 C ATOM 1753 C THR A 111 -10.210 -3.179 -0.317 1.00 0.00 C ATOM 1754 O THR A 111 -10.565 -4.164 0.330 1.00 0.00 O ATOM 1755 CB THR A 111 -10.071 -2.994 -2.802 1.00 0.00 C ATOM 1756 OG1 THR A 111 -10.764 -2.605 -3.994 1.00 0.00 O ATOM 1757 CG2 THR A 111 -9.665 -4.457 -2.900 1.00 0.00 C ATOM 0 H THR A 111 -11.310 -0.843 -2.357 1.00 0.00 H new ATOM 0 HA THR A 111 -11.870 -3.357 -1.667 1.00 0.00 H new ATOM 0 HB THR A 111 -9.171 -2.390 -2.692 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.548 -1.673 -4.209 1.00 0.00 H new ATOM 0 HG21 THR A 111 -9.034 -4.601 -3.777 1.00 0.00 H new ATOM 0 HG22 THR A 111 -9.113 -4.742 -2.004 1.00 0.00 H new ATOM 0 HG23 THR A 111 -10.557 -5.077 -2.989 1.00 0.00 H new ATOM 1765 N ILE A 112 -9.166 -2.429 0.020 1.00 0.00 N ATOM 1766 CA ILE A 112 -8.361 -2.726 1.198 1.00 0.00 C ATOM 1767 C ILE A 112 -9.197 -2.644 2.470 1.00 0.00 C ATOM 1768 O ILE A 112 -9.199 -3.567 3.283 1.00 0.00 O ATOM 1769 CB ILE A 112 -7.164 -1.764 1.319 1.00 0.00 C ATOM 1770 CG1 ILE A 112 -6.312 -1.812 0.049 1.00 0.00 C ATOM 1771 CG2 ILE A 112 -6.326 -2.113 2.540 1.00 0.00 C ATOM 1772 CD1 ILE A 112 -5.596 -0.513 -0.247 1.00 0.00 C ATOM 0 H ILE A 112 -8.858 -1.611 -0.506 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.988 -3.743 1.077 1.00 0.00 H new ATOM 0 HB ILE A 112 -7.543 -0.749 1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.576 -2.610 0.145 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.950 -2.067 -0.797 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -5.484 -1.425 2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -6.939 -2.032 3.437 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -5.954 -3.133 2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.011 -0.620 -1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -6.328 0.285 -0.375 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -4.932 -0.266 0.582 1.00 0.00 H new ATOM 1784 N GLN A 113 -9.907 -1.532 2.634 1.00 0.00 N ATOM 1785 CA GLN A 113 -10.748 -1.330 3.808 1.00 0.00 C ATOM 1786 C GLN A 113 -11.716 -2.494 3.991 1.00 0.00 C ATOM 1787 O GLN A 113 -12.043 -2.870 5.116 1.00 0.00 O ATOM 1788 CB GLN A 113 -11.526 -0.019 3.683 1.00 0.00 C ATOM 1789 CG GLN A 113 -10.783 1.185 4.239 1.00 0.00 C ATOM 1790 CD GLN A 113 -11.718 2.268 4.741 1.00 0.00 C ATOM 1791 OE1 GLN A 113 -12.916 2.041 4.907 1.00 0.00 O ATOM 1792 NE2 GLN A 113 -11.173 3.454 4.985 1.00 0.00 N ATOM 0 H GLN A 113 -9.917 -0.758 1.970 1.00 0.00 H new ATOM 0 HA GLN A 113 -10.101 -1.279 4.684 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.755 0.159 2.632 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.478 -0.120 4.204 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -10.136 0.863 5.055 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -10.137 1.598 3.464 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -10.175 3.597 4.833 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -11.753 4.222 5.324 1.00 0.00 H new ATOM 1801 N GLU A 114 -12.171 -3.060 2.877 1.00 0.00 N ATOM 1802 CA GLU A 114 -13.103 -4.181 2.916 1.00 0.00 C ATOM 1803 C GLU A 114 -12.446 -5.413 3.533 1.00 0.00 C ATOM 1804 O GLU A 114 -13.016 -6.058 4.413 1.00 0.00 O ATOM 1805 CB GLU A 114 -13.602 -4.507 1.507 1.00 0.00 C ATOM 1806 CG GLU A 114 -14.513 -3.441 0.922 1.00 0.00 C ATOM 1807 CD GLU A 114 -15.002 -3.791 -0.470 1.00 0.00 C ATOM 1808 OE1 GLU A 114 -14.875 -4.968 -0.865 1.00 0.00 O ATOM 1809 OE2 GLU A 114 -15.513 -2.886 -1.163 1.00 0.00 O ATOM 0 H GLU A 114 -11.910 -2.761 1.938 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.952 -3.894 3.537 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.744 -4.641 0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -14.136 -5.457 1.531 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -15.371 -3.301 1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -13.979 -2.491 0.887 1.00 0.00 H new ATOM 1816 N SER A 115 -11.245 -5.733 3.063 1.00 0.00 N ATOM 1817 CA SER A 115 -10.512 -6.890 3.564 1.00 0.00 C ATOM 1818 C SER A 115 -10.053 -6.662 5.001 1.00 0.00 C ATOM 1819 O SER A 115 -10.133 -7.559 5.840 1.00 0.00 O ATOM 1820 CB SER A 115 -9.304 -7.181 2.672 1.00 0.00 C ATOM 1821 OG SER A 115 -9.703 -7.796 1.459 1.00 0.00 O ATOM 0 H SER A 115 -10.759 -5.208 2.336 1.00 0.00 H new ATOM 0 HA SER A 115 -11.183 -7.749 3.547 1.00 0.00 H new ATOM 0 HB2 SER A 115 -8.775 -6.253 2.456 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.606 -7.830 3.200 1.00 0.00 H new ATOM 0 HG SER A 115 -8.913 -7.970 0.905 1.00 0.00 H new ATOM 1827 N SER A 116 -9.574 -5.453 5.278 1.00 0.00 N ATOM 1828 CA SER A 116 -9.098 -5.106 6.612 1.00 0.00 C ATOM 1829 C SER A 116 -10.258 -4.682 7.508 1.00 0.00 C ATOM 1830 O SER A 116 -10.253 -3.588 8.071 1.00 0.00 O ATOM 1831 CB SER A 116 -8.063 -3.983 6.531 1.00 0.00 C ATOM 1832 OG SER A 116 -8.512 -2.935 5.690 1.00 0.00 O ATOM 0 H SER A 116 -9.505 -4.697 4.596 1.00 0.00 H new ATOM 0 HA SER A 116 -8.630 -5.990 7.046 1.00 0.00 H new ATOM 0 HB2 SER A 116 -7.866 -3.593 7.530 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.121 -4.379 6.152 1.00 0.00 H new ATOM 0 HG SER A 116 -8.407 -3.200 4.752 1.00 0.00 H new ATOM 1838 N ASN A 117 -11.250 -5.557 7.636 1.00 0.00 N ATOM 1839 CA ASN A 117 -12.417 -5.273 8.463 1.00 0.00 C ATOM 1840 C ASN A 117 -13.129 -6.563 8.860 1.00 0.00 C ATOM 1841 O ASN A 117 -13.598 -7.314 8.004 1.00 0.00 O ATOM 1842 CB ASN A 117 -13.385 -4.352 7.717 1.00 0.00 C ATOM 1843 CG ASN A 117 -14.543 -3.904 8.588 1.00 0.00 C ATOM 1844 OD1 ASN A 117 -15.006 -4.646 9.454 1.00 0.00 O ATOM 1845 ND2 ASN A 117 -15.017 -2.685 8.360 1.00 0.00 N ATOM 0 H ASN A 117 -11.269 -6.468 7.178 1.00 0.00 H new ATOM 0 HA ASN A 117 -12.076 -4.773 9.369 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -12.845 -3.477 7.357 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -13.773 -4.870 6.840 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -15.796 -2.329 8.914 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -14.602 -2.104 7.631 1.00 0.00 H new