USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 407 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -35:sc= 0.321 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0934 X(o=-0.093,f=-0.14) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 175:sc=-0.00847 (180deg=-0.054) USER MOD Single : A 34 TYR OH : rot 165:sc= -0.455 USER MOD Single : A 42 LYS NZ :NH3+ 158:sc= -0.14 (180deg=-0.501) USER MOD Single : A 44 ASN : amide:sc= -0.504 K(o=-0.5,f=-14!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -3.33! C(o=-3.3!,f=-5.9!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0823 USER MOD Single : A 58 ASN : amide:sc= -1.77 K(o=-1.8,f=-4.9!) USER MOD Single : A 59 ASN : amide:sc= -1.61 K(o=-1.6,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 95 N LYS A 7 -6.256 -0.255 3.486 1.00 0.00 N ATOM 96 CA LYS A 7 -5.324 -1.353 3.093 1.00 0.00 C ATOM 97 C LYS A 7 -5.348 -1.549 1.574 1.00 0.00 C ATOM 98 O LYS A 7 -6.400 -1.624 0.967 1.00 0.00 O ATOM 99 CB LYS A 7 -5.857 -2.598 3.802 1.00 0.00 C ATOM 100 CG LYS A 7 -5.467 -2.550 5.280 1.00 0.00 C ATOM 101 CD LYS A 7 -6.223 -3.639 6.045 1.00 0.00 C ATOM 102 CE LYS A 7 -5.343 -4.174 7.177 1.00 0.00 C ATOM 103 NZ LYS A 7 -5.454 -3.158 8.261 1.00 0.00 N ATOM 0 HA LYS A 7 -4.292 -1.137 3.369 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.941 -2.650 3.703 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.451 -3.496 3.337 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.392 -2.695 5.388 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.700 -1.570 5.697 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.151 -3.235 6.451 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.497 -4.449 5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.686 -5.152 7.515 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.310 -4.293 6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.877 -3.454 9.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.115 -2.239 7.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.448 -3.071 8.555 1.00 0.00 H new ATOM 117 N VAL A 8 -4.196 -1.663 0.964 1.00 0.00 N ATOM 118 CA VAL A 8 -4.141 -1.891 -0.512 1.00 0.00 C ATOM 119 C VAL A 8 -3.186 -3.044 -0.836 1.00 0.00 C ATOM 120 O VAL A 8 -2.229 -3.286 -0.124 1.00 0.00 O ATOM 121 CB VAL A 8 -3.626 -0.575 -1.106 1.00 0.00 C ATOM 122 CG1 VAL A 8 -4.610 0.551 -0.782 1.00 0.00 C ATOM 123 CG2 VAL A 8 -2.254 -0.232 -0.512 1.00 0.00 C ATOM 0 H VAL A 8 -3.288 -1.608 1.426 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.114 -2.163 -0.922 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.533 -0.686 -2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.244 1.487 -1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.585 0.317 -1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.703 0.653 0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.896 0.704 -0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.342 -0.127 0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.548 -1.030 -0.743 1.00 0.00 H new ATOM 133 N ARG A 9 -3.415 -3.725 -1.931 1.00 0.00 N ATOM 134 CA ARG A 9 -2.494 -4.828 -2.340 1.00 0.00 C ATOM 135 C ARG A 9 -1.242 -4.253 -3.007 1.00 0.00 C ATOM 136 O ARG A 9 -1.265 -3.165 -3.552 1.00 0.00 O ATOM 137 CB ARG A 9 -3.296 -5.667 -3.336 1.00 0.00 C ATOM 138 CG ARG A 9 -4.058 -6.762 -2.587 1.00 0.00 C ATOM 139 CD ARG A 9 -4.457 -7.868 -3.566 1.00 0.00 C ATOM 140 NE ARG A 9 -5.620 -8.556 -2.924 1.00 0.00 N ATOM 141 CZ ARG A 9 -5.969 -9.781 -3.266 1.00 0.00 C ATOM 142 NH1 ARG A 9 -5.341 -10.436 -4.216 1.00 0.00 N ATOM 143 NH2 ARG A 9 -6.963 -10.356 -2.647 1.00 0.00 N ATOM 0 H ARG A 9 -4.202 -3.564 -2.560 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.156 -5.420 -1.489 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.994 -5.033 -3.882 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.628 -6.113 -4.072 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.437 -7.173 -1.791 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.946 -6.343 -2.114 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.730 -7.455 -4.537 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.633 -8.561 -3.735 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.155 -8.067 -2.206 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.563 -9.998 -4.709 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.632 -11.383 -4.461 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.460 -9.858 -1.908 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.243 -11.303 -2.902 1.00 0.00 H new ATOM 157 N ILE A 10 -0.158 -4.987 -2.985 1.00 0.00 N ATOM 158 CA ILE A 10 1.096 -4.501 -3.638 1.00 0.00 C ATOM 159 C ILE A 10 1.150 -4.983 -5.091 1.00 0.00 C ATOM 160 O ILE A 10 1.181 -6.170 -5.358 1.00 0.00 O ATOM 161 CB ILE A 10 2.238 -5.117 -2.818 1.00 0.00 C ATOM 162 CG1 ILE A 10 2.133 -4.667 -1.350 1.00 0.00 C ATOM 163 CG2 ILE A 10 3.587 -4.674 -3.396 1.00 0.00 C ATOM 164 CD1 ILE A 10 2.220 -3.139 -1.251 1.00 0.00 C ATOM 0 H ILE A 10 -0.087 -5.903 -2.542 1.00 0.00 H new ATOM 0 HA ILE A 10 1.158 -3.413 -3.661 1.00 0.00 H new ATOM 0 HB ILE A 10 2.163 -6.203 -2.865 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.191 -5.012 -0.924 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.933 -5.122 -0.766 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.395 -5.113 -2.811 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.666 -5.006 -4.431 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.660 -3.587 -3.357 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.144 -2.837 -0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.173 -2.802 -1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.404 -2.691 -1.818 1.00 0.00 H new ATOM 176 N LEU A 11 1.202 -4.069 -6.026 1.00 0.00 N ATOM 177 CA LEU A 11 1.300 -4.463 -7.463 1.00 0.00 C ATOM 178 C LEU A 11 2.729 -4.251 -7.970 1.00 0.00 C ATOM 179 O LEU A 11 2.942 -3.848 -9.099 1.00 0.00 O ATOM 180 CB LEU A 11 0.325 -3.534 -8.198 1.00 0.00 C ATOM 181 CG LEU A 11 -1.101 -4.109 -8.157 1.00 0.00 C ATOM 182 CD1 LEU A 11 -1.135 -5.471 -8.857 1.00 0.00 C ATOM 183 CD2 LEU A 11 -1.559 -4.269 -6.703 1.00 0.00 C ATOM 0 H LEU A 11 1.181 -3.064 -5.855 1.00 0.00 H new ATOM 0 HA LEU A 11 1.058 -5.514 -7.622 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.338 -2.546 -7.738 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.643 -3.408 -9.233 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.773 -3.422 -8.672 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.148 -5.872 -8.824 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.825 -5.354 -9.895 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.456 -6.157 -8.351 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.570 -4.677 -6.683 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.884 -4.947 -6.181 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.550 -3.297 -6.210 1.00 0.00 H new ATOM 195 N ARG A 12 3.707 -4.556 -7.156 1.00 0.00 N ATOM 196 CA ARG A 12 5.128 -4.415 -7.594 1.00 0.00 C ATOM 197 C ARG A 12 5.801 -5.796 -7.665 1.00 0.00 C ATOM 198 O ARG A 12 6.381 -6.241 -6.695 1.00 0.00 O ATOM 199 CB ARG A 12 5.789 -3.549 -6.522 1.00 0.00 C ATOM 200 CG ARG A 12 6.987 -2.813 -7.125 1.00 0.00 C ATOM 201 CD ARG A 12 7.284 -1.557 -6.301 1.00 0.00 C ATOM 202 NE ARG A 12 8.776 -1.484 -6.227 1.00 0.00 N ATOM 203 CZ ARG A 12 9.386 -0.789 -5.287 1.00 0.00 C ATOM 204 NH1 ARG A 12 8.712 -0.092 -4.400 1.00 0.00 N ATOM 205 NH2 ARG A 12 10.690 -0.791 -5.238 1.00 0.00 N ATOM 0 H ARG A 12 3.582 -4.898 -6.203 1.00 0.00 H new ATOM 0 HA ARG A 12 5.213 -3.970 -8.585 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.070 -2.832 -6.125 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.113 -4.170 -5.687 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.859 -3.466 -7.138 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.777 -2.541 -8.159 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.869 -0.667 -6.775 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.843 -1.624 -5.307 1.00 0.00 H new ATOM 0 HE ARG A 12 9.334 -1.983 -6.919 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.692 -0.080 -4.428 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.208 0.437 -3.683 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.225 -1.326 -5.922 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.174 -0.258 -4.516 1.00 0.00 H new ATOM 219 N PRO A 13 5.707 -6.438 -8.814 1.00 0.00 N ATOM 220 CA PRO A 13 6.325 -7.784 -8.988 1.00 0.00 C ATOM 221 C PRO A 13 7.806 -7.768 -8.586 1.00 0.00 C ATOM 222 O PRO A 13 8.364 -8.778 -8.200 1.00 0.00 O ATOM 223 CB PRO A 13 6.180 -8.056 -10.484 1.00 0.00 C ATOM 224 CG PRO A 13 5.023 -7.217 -10.917 1.00 0.00 C ATOM 225 CD PRO A 13 5.026 -5.992 -10.043 1.00 0.00 C ATOM 0 HA PRO A 13 5.853 -8.545 -8.366 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.087 -7.786 -11.024 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.996 -9.113 -10.677 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.116 -6.943 -11.968 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.087 -7.765 -10.812 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.555 -5.165 -10.516 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.013 -5.646 -9.836 1.00 0.00 H new ATOM 233 N GLU A 14 8.440 -6.624 -8.666 1.00 0.00 N ATOM 234 CA GLU A 14 9.882 -6.531 -8.281 1.00 0.00 C ATOM 235 C GLU A 14 10.023 -6.515 -6.756 1.00 0.00 C ATOM 236 O GLU A 14 11.032 -6.929 -6.215 1.00 0.00 O ATOM 237 CB GLU A 14 10.371 -5.210 -8.877 1.00 0.00 C ATOM 238 CG GLU A 14 10.339 -5.297 -10.405 1.00 0.00 C ATOM 239 CD GLU A 14 11.706 -5.752 -10.919 1.00 0.00 C ATOM 240 OE1 GLU A 14 12.658 -5.008 -10.751 1.00 0.00 O ATOM 241 OE2 GLU A 14 11.778 -6.838 -11.471 1.00 0.00 O ATOM 0 H GLU A 14 8.020 -5.750 -8.982 1.00 0.00 H new ATOM 0 HA GLU A 14 10.460 -7.380 -8.646 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.740 -4.389 -8.536 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.384 -4.997 -8.535 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.567 -5.998 -10.724 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.084 -4.326 -10.830 1.00 0.00 H new ATOM 248 N SER A 15 9.022 -6.035 -6.061 1.00 0.00 N ATOM 249 CA SER A 15 9.098 -5.981 -4.568 1.00 0.00 C ATOM 250 C SER A 15 8.937 -7.386 -3.979 1.00 0.00 C ATOM 251 O SER A 15 8.104 -8.158 -4.414 1.00 0.00 O ATOM 252 CB SER A 15 7.937 -5.084 -4.139 1.00 0.00 C ATOM 253 OG SER A 15 6.716 -5.801 -4.265 1.00 0.00 O ATOM 0 H SER A 15 8.155 -5.678 -6.463 1.00 0.00 H new ATOM 0 HA SER A 15 10.057 -5.597 -4.219 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.076 -4.759 -3.108 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.910 -4.186 -4.756 1.00 0.00 H new ATOM 0 HG SER A 15 6.767 -6.401 -5.039 1.00 0.00 H new ATOM 259 N TYR A 16 9.701 -7.701 -2.964 1.00 0.00 N ATOM 260 CA TYR A 16 9.567 -9.038 -2.304 1.00 0.00 C ATOM 261 C TYR A 16 8.149 -9.218 -1.748 1.00 0.00 C ATOM 262 O TYR A 16 7.669 -10.327 -1.602 1.00 0.00 O ATOM 263 CB TYR A 16 10.590 -9.031 -1.165 1.00 0.00 C ATOM 264 CG TYR A 16 10.602 -10.380 -0.486 1.00 0.00 C ATOM 265 CD1 TYR A 16 11.446 -11.394 -0.955 1.00 0.00 C ATOM 266 CD2 TYR A 16 9.768 -10.617 0.614 1.00 0.00 C ATOM 267 CE1 TYR A 16 11.456 -12.644 -0.325 1.00 0.00 C ATOM 268 CE2 TYR A 16 9.778 -11.867 1.244 1.00 0.00 C ATOM 269 CZ TYR A 16 10.622 -12.881 0.774 1.00 0.00 C ATOM 270 OH TYR A 16 10.632 -14.112 1.395 1.00 0.00 O ATOM 0 H TYR A 16 10.413 -7.091 -2.563 1.00 0.00 H new ATOM 0 HA TYR A 16 9.742 -9.857 -3.002 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.581 -8.800 -1.555 1.00 0.00 H new ATOM 0 HB3 TYR A 16 10.341 -8.252 -0.444 1.00 0.00 H new ATOM 0 HD1 TYR A 16 12.089 -11.212 -1.803 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.117 -9.835 0.976 1.00 0.00 H new ATOM 0 HE1 TYR A 16 12.107 -13.426 -0.687 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.135 -12.049 2.092 1.00 0.00 H new ATOM 0 HH TYR A 16 9.996 -14.108 2.140 1.00 0.00 H new ATOM 280 N TRP A 17 7.491 -8.137 -1.415 1.00 0.00 N ATOM 281 CA TRP A 17 6.116 -8.238 -0.839 1.00 0.00 C ATOM 282 C TRP A 17 5.067 -8.066 -1.940 1.00 0.00 C ATOM 283 O TRP A 17 4.019 -7.485 -1.723 1.00 0.00 O ATOM 284 CB TRP A 17 6.025 -7.096 0.174 1.00 0.00 C ATOM 285 CG TRP A 17 7.019 -7.317 1.268 1.00 0.00 C ATOM 286 CD1 TRP A 17 6.945 -8.296 2.199 1.00 0.00 C ATOM 287 CD2 TRP A 17 8.232 -6.564 1.561 1.00 0.00 C ATOM 288 NE1 TRP A 17 8.036 -8.191 3.045 1.00 0.00 N ATOM 289 CE2 TRP A 17 8.858 -7.140 2.692 1.00 0.00 C ATOM 290 CE3 TRP A 17 8.844 -5.450 0.960 1.00 0.00 C ATOM 291 CZ2 TRP A 17 10.048 -6.627 3.209 1.00 0.00 C ATOM 292 CZ3 TRP A 17 10.043 -4.931 1.478 1.00 0.00 C ATOM 293 CH2 TRP A 17 10.643 -5.519 2.601 1.00 0.00 C ATOM 0 H TRP A 17 7.847 -7.187 -1.517 1.00 0.00 H new ATOM 0 HA TRP A 17 5.933 -9.208 -0.376 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.217 -6.143 -0.319 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.018 -7.043 0.589 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.163 -9.038 2.270 1.00 0.00 H new ATOM 0 HE1 TRP A 17 8.211 -8.814 3.833 1.00 0.00 H new ATOM 0 HE3 TRP A 17 8.390 -4.990 0.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 10.506 -7.084 4.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.505 -4.075 1.009 1.00 0.00 H new ATOM 0 HH2 TRP A 17 11.564 -5.116 2.995 1.00 0.00 H new ATOM 304 N PHE A 18 5.307 -8.635 -3.094 1.00 0.00 N ATOM 305 CA PHE A 18 4.287 -8.585 -4.187 1.00 0.00 C ATOM 306 C PHE A 18 3.101 -9.490 -3.843 1.00 0.00 C ATOM 307 O PHE A 18 3.209 -10.390 -3.033 1.00 0.00 O ATOM 308 CB PHE A 18 5.011 -9.099 -5.434 1.00 0.00 C ATOM 309 CG PHE A 18 4.094 -8.993 -6.629 1.00 0.00 C ATOM 310 CD1 PHE A 18 3.601 -7.743 -7.024 1.00 0.00 C ATOM 311 CD2 PHE A 18 3.736 -10.143 -7.342 1.00 0.00 C ATOM 312 CE1 PHE A 18 2.751 -7.644 -8.131 1.00 0.00 C ATOM 313 CE2 PHE A 18 2.886 -10.044 -8.449 1.00 0.00 C ATOM 314 CZ PHE A 18 2.393 -8.795 -8.844 1.00 0.00 C ATOM 0 H PHE A 18 6.166 -9.133 -3.327 1.00 0.00 H new ATOM 0 HA PHE A 18 3.889 -7.581 -4.334 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.918 -8.519 -5.606 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.318 -10.135 -5.288 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.877 -6.855 -6.474 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.116 -11.107 -7.038 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.371 -6.680 -8.436 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.610 -10.932 -8.999 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.737 -8.719 -9.698 1.00 0.00 H new ATOM 324 N GLN A 19 1.972 -9.272 -4.476 1.00 0.00 N ATOM 325 CA GLN A 19 0.766 -10.129 -4.219 1.00 0.00 C ATOM 326 C GLN A 19 0.452 -10.191 -2.719 1.00 0.00 C ATOM 327 O GLN A 19 -0.061 -11.178 -2.226 1.00 0.00 O ATOM 328 CB GLN A 19 1.133 -11.518 -4.750 1.00 0.00 C ATOM 329 CG GLN A 19 0.819 -11.593 -6.245 1.00 0.00 C ATOM 330 CD GLN A 19 -0.696 -11.692 -6.445 1.00 0.00 C ATOM 331 OE1 GLN A 19 -1.323 -12.619 -5.971 1.00 0.00 O ATOM 332 NE2 GLN A 19 -1.313 -10.771 -7.131 1.00 0.00 N ATOM 0 H GLN A 19 1.832 -8.533 -5.164 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.123 -9.730 -4.707 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.191 -11.716 -4.580 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.575 -12.284 -4.212 1.00 0.00 H new ATOM 0 HG2 GLN A 19 1.207 -10.710 -6.753 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.312 -12.458 -6.688 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.787 -9.993 -7.529 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.322 -10.828 -7.270 1.00 0.00 H new ATOM 341 N ASP A 20 0.730 -9.133 -2.002 1.00 0.00 N ATOM 342 CA ASP A 20 0.421 -9.107 -0.541 1.00 0.00 C ATOM 343 C ASP A 20 -0.429 -7.880 -0.202 1.00 0.00 C ATOM 344 O ASP A 20 -0.582 -6.980 -1.006 1.00 0.00 O ATOM 345 CB ASP A 20 1.782 -9.026 0.151 1.00 0.00 C ATOM 346 CG ASP A 20 2.443 -10.406 0.142 1.00 0.00 C ATOM 347 OD1 ASP A 20 2.269 -11.118 -0.833 1.00 0.00 O ATOM 348 OD2 ASP A 20 3.111 -10.726 1.110 1.00 0.00 O ATOM 0 H ASP A 20 1.159 -8.283 -2.367 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.145 -9.982 -0.223 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.419 -8.303 -0.359 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.660 -8.676 1.176 1.00 0.00 H new ATOM 353 N VAL A 21 -0.959 -7.828 0.993 1.00 0.00 N ATOM 354 CA VAL A 21 -1.777 -6.648 1.406 1.00 0.00 C ATOM 355 C VAL A 21 -1.071 -5.891 2.537 1.00 0.00 C ATOM 356 O VAL A 21 -1.068 -6.322 3.675 1.00 0.00 O ATOM 357 CB VAL A 21 -3.108 -7.232 1.893 1.00 0.00 C ATOM 358 CG1 VAL A 21 -4.038 -6.100 2.338 1.00 0.00 C ATOM 359 CG2 VAL A 21 -3.774 -8.011 0.754 1.00 0.00 C ATOM 0 H VAL A 21 -0.860 -8.554 1.703 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.923 -5.939 0.591 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.918 -7.900 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.983 -6.520 2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.570 -5.543 3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.224 -5.430 1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.720 -8.426 1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.958 -7.341 -0.086 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.118 -8.821 0.435 1.00 0.00 H new ATOM 369 N GLY A 22 -0.502 -4.752 2.234 1.00 0.00 N ATOM 370 CA GLY A 22 0.174 -3.941 3.290 1.00 0.00 C ATOM 371 C GLY A 22 -0.734 -2.780 3.701 1.00 0.00 C ATOM 372 O GLY A 22 -1.606 -2.371 2.958 1.00 0.00 O ATOM 0 H GLY A 22 -0.477 -4.348 1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.398 -4.565 4.155 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.125 -3.559 2.918 1.00 0.00 H new ATOM 376 N THR A 23 -0.511 -2.228 4.867 1.00 0.00 N ATOM 377 CA THR A 23 -1.333 -1.067 5.321 1.00 0.00 C ATOM 378 C THR A 23 -0.627 0.247 4.976 1.00 0.00 C ATOM 379 O THR A 23 0.582 0.353 5.064 1.00 0.00 O ATOM 380 CB THR A 23 -1.448 -1.231 6.837 1.00 0.00 C ATOM 381 OG1 THR A 23 -2.004 -2.506 7.131 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.351 -0.135 7.404 1.00 0.00 C ATOM 0 H THR A 23 0.207 -2.533 5.525 1.00 0.00 H new ATOM 0 HA THR A 23 -2.310 -1.039 4.839 1.00 0.00 H new ATOM 0 HB THR A 23 -0.459 -1.152 7.288 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.077 -2.615 8.102 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.432 -0.253 8.485 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.924 0.842 7.177 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.341 -0.211 6.955 1.00 0.00 H new ATOM 390 N VAL A 24 -1.378 1.256 4.613 1.00 0.00 N ATOM 391 CA VAL A 24 -0.762 2.580 4.292 1.00 0.00 C ATOM 392 C VAL A 24 -0.427 3.326 5.588 1.00 0.00 C ATOM 393 O VAL A 24 -1.296 3.623 6.386 1.00 0.00 O ATOM 394 CB VAL A 24 -1.827 3.339 3.491 1.00 0.00 C ATOM 395 CG1 VAL A 24 -1.283 4.710 3.076 1.00 0.00 C ATOM 396 CG2 VAL A 24 -2.193 2.542 2.234 1.00 0.00 C ATOM 0 H VAL A 24 -2.394 1.220 4.525 1.00 0.00 H new ATOM 0 HA VAL A 24 0.166 2.479 3.729 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.713 3.470 4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.043 5.246 2.507 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.024 5.283 3.966 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.394 4.577 2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.950 3.084 1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.305 2.408 1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.585 1.567 2.523 1.00 0.00 H new ATOM 406 N ALA A 25 0.827 3.639 5.793 1.00 0.00 N ATOM 407 CA ALA A 25 1.229 4.379 7.027 1.00 0.00 C ATOM 408 C ALA A 25 1.013 5.882 6.836 1.00 0.00 C ATOM 409 O ALA A 25 0.495 6.557 7.706 1.00 0.00 O ATOM 410 CB ALA A 25 2.715 4.069 7.209 1.00 0.00 C ATOM 0 H ALA A 25 1.592 3.413 5.157 1.00 0.00 H new ATOM 0 HA ALA A 25 0.642 4.082 7.896 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.087 4.578 8.098 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.851 2.994 7.323 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.268 4.414 6.336 1.00 0.00 H new ATOM 416 N SER A 26 1.389 6.404 5.696 1.00 0.00 N ATOM 417 CA SER A 26 1.188 7.860 5.429 1.00 0.00 C ATOM 418 C SER A 26 1.420 8.163 3.947 1.00 0.00 C ATOM 419 O SER A 26 1.684 7.276 3.158 1.00 0.00 O ATOM 420 CB SER A 26 2.230 8.568 6.292 1.00 0.00 C ATOM 421 OG SER A 26 3.521 8.357 5.736 1.00 0.00 O ATOM 0 H SER A 26 1.828 5.883 4.937 1.00 0.00 H new ATOM 0 HA SER A 26 0.175 8.187 5.664 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.013 9.635 6.343 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.194 8.187 7.312 1.00 0.00 H new ATOM 0 HG SER A 26 4.192 8.812 6.286 1.00 0.00 H new ATOM 427 N VAL A 27 1.363 9.417 3.574 1.00 0.00 N ATOM 428 CA VAL A 27 1.621 9.794 2.151 1.00 0.00 C ATOM 429 C VAL A 27 2.485 11.058 2.094 1.00 0.00 C ATOM 430 O VAL A 27 2.097 12.107 2.575 1.00 0.00 O ATOM 431 CB VAL A 27 0.236 10.055 1.547 1.00 0.00 C ATOM 432 CG1 VAL A 27 0.381 10.444 0.073 1.00 0.00 C ATOM 433 CG2 VAL A 27 -0.618 8.788 1.651 1.00 0.00 C ATOM 0 H VAL A 27 1.148 10.197 4.195 1.00 0.00 H new ATOM 0 HA VAL A 27 2.157 9.017 1.606 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.245 10.866 2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.605 10.629 -0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.986 11.347 -0.007 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.865 9.633 -0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.602 8.976 1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.133 7.977 1.107 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.727 8.508 2.699 1.00 0.00 H new ATOM 509 N LYS A 33 10.252 9.018 -5.056 1.00 0.00 N ATOM 510 CA LYS A 33 9.792 8.175 -6.203 1.00 0.00 C ATOM 511 C LYS A 33 8.486 7.455 -5.845 1.00 0.00 C ATOM 512 O LYS A 33 7.607 7.303 -6.673 1.00 0.00 O ATOM 513 CB LYS A 33 10.921 7.166 -6.451 1.00 0.00 C ATOM 514 CG LYS A 33 11.165 6.327 -5.191 1.00 0.00 C ATOM 515 CD LYS A 33 12.637 5.911 -5.134 1.00 0.00 C ATOM 516 CE LYS A 33 12.802 4.530 -5.774 1.00 0.00 C ATOM 517 NZ LYS A 33 13.173 4.806 -7.190 1.00 0.00 N ATOM 0 HA LYS A 33 9.589 8.772 -7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.661 6.515 -7.286 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.834 7.692 -6.730 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.903 6.901 -4.302 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.526 5.444 -5.200 1.00 0.00 H new ATOM 0 HD2 LYS A 33 13.253 6.642 -5.657 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.980 5.888 -4.100 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.575 3.950 -5.269 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.879 3.953 -5.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.386 3.910 -7.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.381 5.279 -7.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.011 5.421 -7.216 1.00 0.00 H new ATOM 531 N TYR A 34 8.313 7.112 -4.594 1.00 0.00 N ATOM 532 CA TYR A 34 7.015 6.522 -4.147 1.00 0.00 C ATOM 533 C TYR A 34 6.292 7.488 -3.195 1.00 0.00 C ATOM 534 O TYR A 34 6.567 7.499 -2.013 1.00 0.00 O ATOM 535 CB TYR A 34 7.395 5.232 -3.416 1.00 0.00 C ATOM 536 CG TYR A 34 7.953 4.230 -4.401 1.00 0.00 C ATOM 537 CD1 TYR A 34 7.227 3.896 -5.552 1.00 0.00 C ATOM 538 CD2 TYR A 34 9.196 3.632 -4.161 1.00 0.00 C ATOM 539 CE1 TYR A 34 7.745 2.966 -6.461 1.00 0.00 C ATOM 540 CE2 TYR A 34 9.714 2.703 -5.070 1.00 0.00 C ATOM 541 CZ TYR A 34 8.989 2.370 -6.220 1.00 0.00 C ATOM 542 OH TYR A 34 9.500 1.454 -7.117 1.00 0.00 O ATOM 0 H TYR A 34 9.016 7.215 -3.862 1.00 0.00 H new ATOM 0 HA TYR A 34 6.339 6.333 -4.981 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.133 5.445 -2.643 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.521 4.816 -2.916 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.268 4.356 -5.738 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.755 3.888 -3.273 1.00 0.00 H new ATOM 0 HE1 TYR A 34 7.185 2.708 -7.348 1.00 0.00 H new ATOM 0 HE2 TYR A 34 10.673 2.243 -4.884 1.00 0.00 H new ATOM 0 HH TYR A 34 10.454 1.318 -6.938 1.00 0.00 H new ATOM 552 N PRO A 35 5.385 8.279 -3.739 1.00 0.00 N ATOM 553 CA PRO A 35 4.626 9.255 -2.905 1.00 0.00 C ATOM 554 C PRO A 35 3.977 8.564 -1.698 1.00 0.00 C ATOM 555 O PRO A 35 3.908 9.120 -0.618 1.00 0.00 O ATOM 556 CB PRO A 35 3.556 9.786 -3.856 1.00 0.00 C ATOM 557 CG PRO A 35 4.121 9.581 -5.224 1.00 0.00 C ATOM 558 CD PRO A 35 4.982 8.348 -5.155 1.00 0.00 C ATOM 0 HA PRO A 35 5.263 10.039 -2.495 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.616 9.249 -3.732 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.348 10.839 -3.668 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.324 9.456 -5.957 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.707 10.446 -5.534 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.431 7.458 -5.458 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.847 8.427 -5.814 1.00 0.00 H new ATOM 566 N VAL A 36 3.452 7.380 -1.892 1.00 0.00 N ATOM 567 CA VAL A 36 2.748 6.674 -0.778 1.00 0.00 C ATOM 568 C VAL A 36 3.705 5.693 -0.091 1.00 0.00 C ATOM 569 O VAL A 36 4.711 5.302 -0.651 1.00 0.00 O ATOM 570 CB VAL A 36 1.588 5.925 -1.444 1.00 0.00 C ATOM 571 CG1 VAL A 36 0.785 5.169 -0.385 1.00 0.00 C ATOM 572 CG2 VAL A 36 0.670 6.927 -2.152 1.00 0.00 C ATOM 0 H VAL A 36 3.481 6.871 -2.776 1.00 0.00 H new ATOM 0 HA VAL A 36 2.393 7.362 -0.011 1.00 0.00 H new ATOM 0 HB VAL A 36 1.989 5.218 -2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.038 4.638 -0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.433 4.453 0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.387 5.876 0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.154 6.394 -2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.274 7.635 -1.424 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.237 7.466 -2.911 1.00 0.00 H new ATOM 582 N ILE A 37 3.378 5.275 1.105 1.00 0.00 N ATOM 583 CA ILE A 37 4.246 4.295 1.826 1.00 0.00 C ATOM 584 C ILE A 37 3.395 3.138 2.362 1.00 0.00 C ATOM 585 O ILE A 37 2.254 3.323 2.744 1.00 0.00 O ATOM 586 CB ILE A 37 4.874 5.085 2.980 1.00 0.00 C ATOM 587 CG1 ILE A 37 5.685 6.258 2.417 1.00 0.00 C ATOM 588 CG2 ILE A 37 5.801 4.172 3.786 1.00 0.00 C ATOM 589 CD1 ILE A 37 4.816 7.517 2.395 1.00 0.00 C ATOM 0 H ILE A 37 2.545 5.571 1.615 1.00 0.00 H new ATOM 0 HA ILE A 37 5.006 3.859 1.177 1.00 0.00 H new ATOM 0 HB ILE A 37 4.083 5.463 3.627 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.572 6.427 3.028 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.031 6.025 1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.246 4.737 4.605 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.228 3.337 4.190 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.590 3.791 3.138 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.393 8.351 1.995 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.942 7.345 1.766 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.492 7.753 3.409 1.00 0.00 H new ATOM 601 N VAL A 38 3.945 1.951 2.394 1.00 0.00 N ATOM 602 CA VAL A 38 3.178 0.777 2.910 1.00 0.00 C ATOM 603 C VAL A 38 3.960 0.095 4.038 1.00 0.00 C ATOM 604 O VAL A 38 5.168 0.210 4.123 1.00 0.00 O ATOM 605 CB VAL A 38 3.028 -0.164 1.709 1.00 0.00 C ATOM 606 CG1 VAL A 38 2.236 -1.407 2.124 1.00 0.00 C ATOM 607 CG2 VAL A 38 2.280 0.556 0.583 1.00 0.00 C ATOM 0 H VAL A 38 4.894 1.744 2.084 1.00 0.00 H new ATOM 0 HA VAL A 38 2.210 1.063 3.321 1.00 0.00 H new ATOM 0 HB VAL A 38 4.017 -0.461 1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.131 -2.074 1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.764 -1.924 2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.248 -1.109 2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.174 -0.114 -0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.292 0.854 0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.840 1.441 0.282 1.00 0.00 H new ATOM 617 N ARG A 39 3.282 -0.653 4.872 1.00 0.00 N ATOM 618 CA ARG A 39 3.983 -1.395 5.963 1.00 0.00 C ATOM 619 C ARG A 39 3.713 -2.897 5.839 1.00 0.00 C ATOM 620 O ARG A 39 2.581 -3.323 5.721 1.00 0.00 O ATOM 621 CB ARG A 39 3.385 -0.847 7.260 1.00 0.00 C ATOM 622 CG ARG A 39 4.270 -1.252 8.441 1.00 0.00 C ATOM 623 CD ARG A 39 3.425 -1.314 9.715 1.00 0.00 C ATOM 624 NE ARG A 39 3.062 -2.757 9.871 1.00 0.00 N ATOM 625 CZ ARG A 39 2.697 -3.252 11.038 1.00 0.00 C ATOM 626 NH1 ARG A 39 2.591 -2.494 12.105 1.00 0.00 N ATOM 627 NH2 ARG A 39 2.432 -4.526 11.133 1.00 0.00 N ATOM 0 H ARG A 39 2.271 -0.782 4.844 1.00 0.00 H new ATOM 0 HA ARG A 39 5.064 -1.263 5.925 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.306 0.239 7.206 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.375 -1.233 7.399 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.729 -2.222 8.249 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.081 -0.534 8.564 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.985 -0.953 10.578 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.535 -0.691 9.629 1.00 0.00 H new ATOM 0 HE ARG A 39 3.098 -3.371 9.057 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.793 -1.496 12.044 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.307 -2.903 12.995 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.508 -5.125 10.311 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.149 -4.923 12.029 1.00 0.00 H new ATOM 641 N PHE A 40 4.748 -3.697 5.870 1.00 0.00 N ATOM 642 CA PHE A 40 4.562 -5.176 5.761 1.00 0.00 C ATOM 643 C PHE A 40 4.852 -5.847 7.107 1.00 0.00 C ATOM 644 O PHE A 40 5.355 -5.224 8.023 1.00 0.00 O ATOM 645 CB PHE A 40 5.577 -5.627 4.708 1.00 0.00 C ATOM 646 CG PHE A 40 5.244 -4.989 3.380 1.00 0.00 C ATOM 647 CD1 PHE A 40 3.971 -5.159 2.821 1.00 0.00 C ATOM 648 CD2 PHE A 40 6.208 -4.229 2.708 1.00 0.00 C ATOM 649 CE1 PHE A 40 3.664 -4.569 1.590 1.00 0.00 C ATOM 650 CE2 PHE A 40 5.900 -3.638 1.477 1.00 0.00 C ATOM 651 CZ PHE A 40 4.629 -3.808 0.917 1.00 0.00 C ATOM 0 H PHE A 40 5.716 -3.389 5.966 1.00 0.00 H new ATOM 0 HA PHE A 40 3.542 -5.444 5.486 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.584 -5.347 5.015 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.562 -6.713 4.615 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.227 -5.745 3.340 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.190 -4.098 3.139 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.683 -4.700 1.158 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.644 -3.051 0.959 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.392 -3.353 -0.033 1.00 0.00 H new ATOM 661 N GLU A 41 4.590 -7.125 7.208 1.00 0.00 N ATOM 662 CA GLU A 41 4.905 -7.861 8.468 1.00 0.00 C ATOM 663 C GLU A 41 6.071 -8.827 8.238 1.00 0.00 C ATOM 664 O GLU A 41 6.851 -9.094 9.132 1.00 0.00 O ATOM 665 CB GLU A 41 3.628 -8.633 8.806 1.00 0.00 C ATOM 666 CG GLU A 41 2.531 -7.649 9.219 1.00 0.00 C ATOM 667 CD GLU A 41 1.268 -8.424 9.600 1.00 0.00 C ATOM 668 OE1 GLU A 41 1.266 -9.031 10.658 1.00 0.00 O ATOM 669 OE2 GLU A 41 0.324 -8.396 8.828 1.00 0.00 O ATOM 0 H GLU A 41 4.171 -7.691 6.470 1.00 0.00 H new ATOM 0 HA GLU A 41 5.202 -7.191 9.275 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.303 -9.215 7.944 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.820 -9.340 9.613 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.868 -7.045 10.061 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.316 -6.962 8.400 1.00 0.00 H new ATOM 676 N LYS A 42 6.212 -9.322 7.035 1.00 0.00 N ATOM 677 CA LYS A 42 7.350 -10.238 6.725 1.00 0.00 C ATOM 678 C LYS A 42 8.565 -9.432 6.253 1.00 0.00 C ATOM 679 O LYS A 42 8.447 -8.279 5.882 1.00 0.00 O ATOM 680 CB LYS A 42 6.838 -11.141 5.602 1.00 0.00 C ATOM 681 CG LYS A 42 7.799 -12.315 5.411 1.00 0.00 C ATOM 682 CD LYS A 42 7.206 -13.305 4.405 1.00 0.00 C ATOM 683 CE LYS A 42 6.466 -14.418 5.151 1.00 0.00 C ATOM 684 NZ LYS A 42 5.025 -14.052 5.056 1.00 0.00 N ATOM 0 H LYS A 42 5.586 -9.131 6.252 1.00 0.00 H new ATOM 0 HA LYS A 42 7.667 -10.811 7.596 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.841 -11.509 5.844 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.752 -10.573 4.675 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.764 -11.954 5.056 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.976 -12.812 6.365 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.522 -12.788 3.732 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.998 -13.731 3.789 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.657 -15.391 4.699 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.790 -14.480 6.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.441 -14.901 5.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.796 -13.350 5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.830 -13.648 4.117 1.00 0.00 H new ATOM 698 N VAL A 43 9.716 -10.053 6.206 1.00 0.00 N ATOM 699 CA VAL A 43 10.930 -9.351 5.688 1.00 0.00 C ATOM 700 C VAL A 43 11.294 -9.876 4.295 1.00 0.00 C ATOM 701 O VAL A 43 10.505 -10.540 3.649 1.00 0.00 O ATOM 702 CB VAL A 43 12.042 -9.669 6.697 1.00 0.00 C ATOM 703 CG1 VAL A 43 11.656 -9.115 8.070 1.00 0.00 C ATOM 704 CG2 VAL A 43 12.239 -11.186 6.802 1.00 0.00 C ATOM 0 H VAL A 43 9.868 -11.017 6.504 1.00 0.00 H new ATOM 0 HA VAL A 43 10.772 -8.277 5.588 1.00 0.00 H new ATOM 0 HB VAL A 43 12.971 -9.209 6.359 1.00 0.00 H new ATOM 0 HG11 VAL A 43 12.445 -9.340 8.788 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.524 -8.035 8.003 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.724 -9.575 8.399 1.00 0.00 H new ATOM 0 HG21 VAL A 43 13.030 -11.401 7.520 1.00 0.00 H new ATOM 0 HG22 VAL A 43 11.311 -11.651 7.134 1.00 0.00 H new ATOM 0 HG23 VAL A 43 12.516 -11.585 5.826 1.00 0.00 H new ATOM 714 N ASN A 44 12.486 -9.589 3.837 1.00 0.00 N ATOM 715 CA ASN A 44 12.913 -10.076 2.490 1.00 0.00 C ATOM 716 C ASN A 44 14.381 -10.513 2.525 1.00 0.00 C ATOM 717 O ASN A 44 14.949 -10.723 3.580 1.00 0.00 O ATOM 718 CB ASN A 44 12.726 -8.880 1.548 1.00 0.00 C ATOM 719 CG ASN A 44 13.545 -7.680 2.042 1.00 0.00 C ATOM 720 OD1 ASN A 44 14.368 -7.807 2.926 1.00 0.00 O ATOM 721 ND2 ASN A 44 13.349 -6.508 1.501 1.00 0.00 N ATOM 0 H ASN A 44 13.183 -9.038 4.338 1.00 0.00 H new ATOM 0 HA ASN A 44 12.333 -10.940 2.164 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.037 -9.151 0.539 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.671 -8.612 1.495 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.886 -5.702 1.821 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.659 -6.398 0.758 1.00 0.00 H new ATOM 728 N TYR A 45 14.983 -10.690 1.376 1.00 0.00 N ATOM 729 CA TYR A 45 16.403 -11.160 1.332 1.00 0.00 C ATOM 730 C TYR A 45 17.317 -10.152 2.036 1.00 0.00 C ATOM 731 O TYR A 45 18.351 -10.509 2.569 1.00 0.00 O ATOM 732 CB TYR A 45 16.754 -11.251 -0.155 1.00 0.00 C ATOM 733 CG TYR A 45 15.903 -12.314 -0.808 1.00 0.00 C ATOM 734 CD1 TYR A 45 15.914 -13.623 -0.311 1.00 0.00 C ATOM 735 CD2 TYR A 45 15.104 -11.990 -1.911 1.00 0.00 C ATOM 736 CE1 TYR A 45 15.125 -14.607 -0.918 1.00 0.00 C ATOM 737 CE2 TYR A 45 14.316 -12.974 -2.518 1.00 0.00 C ATOM 738 CZ TYR A 45 14.326 -14.284 -2.020 1.00 0.00 C ATOM 739 OH TYR A 45 13.549 -15.255 -2.618 1.00 0.00 O ATOM 0 H TYR A 45 14.553 -10.529 0.465 1.00 0.00 H new ATOM 0 HA TYR A 45 16.532 -12.117 1.838 1.00 0.00 H new ATOM 0 HB2 TYR A 45 16.587 -10.289 -0.639 1.00 0.00 H new ATOM 0 HB3 TYR A 45 17.810 -11.490 -0.276 1.00 0.00 H new ATOM 0 HD1 TYR A 45 16.531 -13.873 0.540 1.00 0.00 H new ATOM 0 HD2 TYR A 45 15.096 -10.980 -2.294 1.00 0.00 H new ATOM 0 HE1 TYR A 45 15.133 -15.617 -0.535 1.00 0.00 H new ATOM 0 HE2 TYR A 45 13.701 -12.724 -3.370 1.00 0.00 H new ATOM 0 HH TYR A 45 13.055 -14.863 -3.368 1.00 0.00 H new ATOM 749 N SER A 46 16.940 -8.898 2.041 1.00 0.00 N ATOM 750 CA SER A 46 17.782 -7.860 2.710 1.00 0.00 C ATOM 751 C SER A 46 17.533 -7.869 4.221 1.00 0.00 C ATOM 752 O SER A 46 18.432 -8.117 5.003 1.00 0.00 O ATOM 753 CB SER A 46 17.334 -6.532 2.101 1.00 0.00 C ATOM 754 OG SER A 46 17.711 -6.493 0.730 1.00 0.00 O ATOM 0 H SER A 46 16.084 -8.548 1.610 1.00 0.00 H new ATOM 0 HA SER A 46 18.848 -8.036 2.563 1.00 0.00 H new ATOM 0 HB2 SER A 46 16.254 -6.421 2.196 1.00 0.00 H new ATOM 0 HB3 SER A 46 17.789 -5.700 2.639 1.00 0.00 H new ATOM 0 HG SER A 46 17.424 -5.643 0.336 1.00 0.00 H new ATOM 760 N GLY A 47 16.316 -7.620 4.631 1.00 0.00 N ATOM 761 CA GLY A 47 15.993 -7.634 6.088 1.00 0.00 C ATOM 762 C GLY A 47 15.262 -6.344 6.463 1.00 0.00 C ATOM 763 O GLY A 47 15.520 -5.752 7.494 1.00 0.00 O ATOM 0 H GLY A 47 15.530 -7.407 4.017 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.372 -8.498 6.325 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.908 -7.729 6.673 1.00 0.00 H new ATOM 767 N ILE A 55 14.319 -5.931 5.654 1.00 0.00 N ATOM 768 CA ILE A 55 13.524 -4.708 5.982 1.00 0.00 C ATOM 769 C ILE A 55 12.050 -5.079 6.177 1.00 0.00 C ATOM 770 O ILE A 55 11.614 -6.145 5.787 1.00 0.00 O ATOM 771 CB ILE A 55 13.696 -3.782 4.772 1.00 0.00 C ATOM 772 CG1 ILE A 55 15.181 -3.453 4.585 1.00 0.00 C ATOM 773 CG2 ILE A 55 12.916 -2.484 5.000 1.00 0.00 C ATOM 774 CD1 ILE A 55 15.794 -4.415 3.565 1.00 0.00 C ATOM 0 H ILE A 55 14.065 -6.389 4.779 1.00 0.00 H new ATOM 0 HA ILE A 55 13.857 -4.231 6.904 1.00 0.00 H new ATOM 0 HB ILE A 55 13.317 -4.282 3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.296 -2.424 4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 55 15.705 -3.534 5.537 1.00 0.00 H new ATOM 0 HG21 ILE A 55 13.041 -1.828 4.138 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.859 -2.713 5.132 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.293 -1.985 5.893 1.00 0.00 H new ATOM 0 HD11 ILE A 55 16.850 -4.180 3.433 1.00 0.00 H new ATOM 0 HD12 ILE A 55 15.692 -5.439 3.924 1.00 0.00 H new ATOM 0 HD13 ILE A 55 15.277 -4.312 2.611 1.00 0.00 H new ATOM 786 N ASN A 56 11.284 -4.203 6.775 1.00 0.00 N ATOM 787 CA ASN A 56 9.834 -4.492 6.996 1.00 0.00 C ATOM 788 C ASN A 56 8.970 -3.409 6.340 1.00 0.00 C ATOM 789 O ASN A 56 7.937 -3.695 5.765 1.00 0.00 O ATOM 790 CB ASN A 56 9.649 -4.489 8.518 1.00 0.00 C ATOM 791 CG ASN A 56 10.070 -3.134 9.097 1.00 0.00 C ATOM 792 OD1 ASN A 56 11.224 -2.759 9.018 1.00 0.00 O ATOM 793 ND2 ASN A 56 9.178 -2.381 9.679 1.00 0.00 N ATOM 0 H ASN A 56 11.601 -3.297 7.121 1.00 0.00 H new ATOM 0 HA ASN A 56 9.533 -5.443 6.556 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.607 -4.691 8.766 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.244 -5.285 8.966 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.449 -1.478 10.068 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.210 -2.696 9.745 1.00 0.00 H new ATOM 800 N THR A 57 9.390 -2.172 6.422 1.00 0.00 N ATOM 801 CA THR A 57 8.602 -1.065 5.802 1.00 0.00 C ATOM 802 C THR A 57 9.249 -0.625 4.487 1.00 0.00 C ATOM 803 O THR A 57 10.455 -0.678 4.332 1.00 0.00 O ATOM 804 CB THR A 57 8.643 0.070 6.827 1.00 0.00 C ATOM 805 OG1 THR A 57 9.958 0.183 7.353 1.00 0.00 O ATOM 806 CG2 THR A 57 7.660 -0.226 7.960 1.00 0.00 C ATOM 0 H THR A 57 10.247 -1.881 6.893 1.00 0.00 H new ATOM 0 HA THR A 57 7.581 -1.366 5.566 1.00 0.00 H new ATOM 0 HB THR A 57 8.363 1.006 6.344 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.987 0.911 8.009 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.691 0.584 8.689 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.652 -0.311 7.554 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.936 -1.162 8.446 1.00 0.00 H new ATOM 814 N ASN A 58 8.459 -0.155 3.556 1.00 0.00 N ATOM 815 CA ASN A 58 9.023 0.334 2.262 1.00 0.00 C ATOM 816 C ASN A 58 8.176 1.487 1.719 1.00 0.00 C ATOM 817 O ASN A 58 7.312 2.007 2.400 1.00 0.00 O ATOM 818 CB ASN A 58 8.957 -0.870 1.321 1.00 0.00 C ATOM 819 CG ASN A 58 10.299 -1.605 1.337 1.00 0.00 C ATOM 820 OD1 ASN A 58 10.645 -2.242 2.312 1.00 0.00 O ATOM 821 ND2 ASN A 58 11.076 -1.543 0.289 1.00 0.00 N ATOM 0 H ASN A 58 7.444 -0.089 3.637 1.00 0.00 H new ATOM 0 HA ASN A 58 10.040 0.711 2.370 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.158 -1.543 1.631 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.722 -0.541 0.309 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.973 -2.029 0.289 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.786 -1.008 -0.530 1.00 0.00 H new ATOM 828 N ASN A 59 8.408 1.876 0.490 1.00 0.00 N ATOM 829 CA ASN A 59 7.606 2.982 -0.115 1.00 0.00 C ATOM 830 C ASN A 59 7.075 2.561 -1.487 1.00 0.00 C ATOM 831 O ASN A 59 7.790 1.993 -2.291 1.00 0.00 O ATOM 832 CB ASN A 59 8.585 4.150 -0.253 1.00 0.00 C ATOM 833 CG ASN A 59 9.079 4.570 1.132 1.00 0.00 C ATOM 834 OD1 ASN A 59 9.683 3.787 1.838 1.00 0.00 O ATOM 835 ND2 ASN A 59 8.845 5.782 1.555 1.00 0.00 N ATOM 0 H ASN A 59 9.119 1.474 -0.121 1.00 0.00 H new ATOM 0 HA ASN A 59 6.740 3.245 0.492 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.429 3.859 -0.879 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.097 4.990 -0.747 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.169 6.072 2.478 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.338 6.440 0.963 1.00 0.00 H new ATOM 842 N PHE A 60 5.830 2.854 -1.765 1.00 0.00 N ATOM 843 CA PHE A 60 5.248 2.494 -3.093 1.00 0.00 C ATOM 844 C PHE A 60 4.418 3.659 -3.640 1.00 0.00 C ATOM 845 O PHE A 60 3.982 4.522 -2.901 1.00 0.00 O ATOM 846 CB PHE A 60 4.356 1.283 -2.819 1.00 0.00 C ATOM 847 CG PHE A 60 5.202 0.133 -2.328 1.00 0.00 C ATOM 848 CD1 PHE A 60 5.534 0.039 -0.971 1.00 0.00 C ATOM 849 CD2 PHE A 60 5.654 -0.839 -3.228 1.00 0.00 C ATOM 850 CE1 PHE A 60 6.319 -1.027 -0.515 1.00 0.00 C ATOM 851 CE2 PHE A 60 6.439 -1.905 -2.772 1.00 0.00 C ATOM 852 CZ PHE A 60 6.771 -1.999 -1.415 1.00 0.00 C ATOM 0 H PHE A 60 5.190 3.328 -1.128 1.00 0.00 H new ATOM 0 HA PHE A 60 6.016 2.275 -3.835 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.601 1.536 -2.075 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.826 0.996 -3.727 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.185 0.788 -0.276 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.397 -0.767 -4.275 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.576 -1.099 0.532 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.788 -2.654 -3.467 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.376 -2.821 -1.063 1.00 0.00 H new ATOM 862 N ALA A 61 4.177 3.673 -4.926 1.00 0.00 N ATOM 863 CA ALA A 61 3.351 4.762 -5.528 1.00 0.00 C ATOM 864 C ALA A 61 1.861 4.424 -5.409 1.00 0.00 C ATOM 865 O ALA A 61 1.476 3.270 -5.429 1.00 0.00 O ATOM 866 CB ALA A 61 3.773 4.814 -6.997 1.00 0.00 C ATOM 0 H ALA A 61 4.518 2.975 -5.587 1.00 0.00 H new ATOM 0 HA ALA A 61 3.501 5.718 -5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.209 5.593 -7.510 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.838 5.035 -7.062 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.573 3.851 -7.467 1.00 0.00 H new ATOM 872 N GLU A 62 1.024 5.425 -5.310 1.00 0.00 N ATOM 873 CA GLU A 62 -0.448 5.171 -5.218 1.00 0.00 C ATOM 874 C GLU A 62 -0.940 4.440 -6.472 1.00 0.00 C ATOM 875 O GLU A 62 -1.851 3.635 -6.412 1.00 0.00 O ATOM 876 CB GLU A 62 -1.098 6.558 -5.105 1.00 0.00 C ATOM 877 CG GLU A 62 -0.740 7.409 -6.330 1.00 0.00 C ATOM 878 CD GLU A 62 -0.578 8.870 -5.908 1.00 0.00 C ATOM 879 OE1 GLU A 62 -1.381 9.329 -5.113 1.00 0.00 O ATOM 880 OE2 GLU A 62 0.347 9.506 -6.387 1.00 0.00 O ATOM 0 H GLU A 62 1.295 6.408 -5.289 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.701 4.541 -4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.180 6.456 -5.027 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.759 7.054 -4.196 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.183 7.045 -6.781 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.520 7.322 -7.086 1.00 0.00 H new ATOM 887 N ASP A 63 -0.287 4.653 -7.586 1.00 0.00 N ATOM 888 CA ASP A 63 -0.648 3.902 -8.828 1.00 0.00 C ATOM 889 C ASP A 63 -0.274 2.421 -8.688 1.00 0.00 C ATOM 890 O ASP A 63 -0.844 1.566 -9.339 1.00 0.00 O ATOM 891 CB ASP A 63 0.158 4.562 -9.954 1.00 0.00 C ATOM 892 CG ASP A 63 1.657 4.481 -9.644 1.00 0.00 C ATOM 893 OD1 ASP A 63 2.241 3.443 -9.909 1.00 0.00 O ATOM 894 OD2 ASP A 63 2.193 5.458 -9.148 1.00 0.00 O ATOM 0 H ASP A 63 0.482 5.315 -7.690 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.719 3.937 -9.027 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.053 4.067 -10.902 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.143 5.604 -10.065 1.00 0.00 H new ATOM 899 N GLU A 64 0.685 2.115 -7.847 1.00 0.00 N ATOM 900 CA GLU A 64 1.106 0.694 -7.668 1.00 0.00 C ATOM 901 C GLU A 64 0.403 0.079 -6.453 1.00 0.00 C ATOM 902 O GLU A 64 0.903 -0.845 -5.840 1.00 0.00 O ATOM 903 CB GLU A 64 2.616 0.756 -7.436 1.00 0.00 C ATOM 904 CG GLU A 64 3.339 0.862 -8.781 1.00 0.00 C ATOM 905 CD GLU A 64 4.559 1.777 -8.639 1.00 0.00 C ATOM 906 OE1 GLU A 64 5.158 1.772 -7.576 1.00 0.00 O ATOM 907 OE2 GLU A 64 4.872 2.466 -9.595 1.00 0.00 O ATOM 0 H GLU A 64 1.194 2.791 -7.277 1.00 0.00 H new ATOM 0 HA GLU A 64 0.848 0.077 -8.529 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.863 1.614 -6.811 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.949 -0.134 -6.902 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.651 -0.127 -9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.662 1.257 -9.539 1.00 0.00 H new ATOM 914 N LEU A 65 -0.766 0.568 -6.120 1.00 0.00 N ATOM 915 CA LEU A 65 -1.521 -0.003 -4.964 1.00 0.00 C ATOM 916 C LEU A 65 -3.010 -0.109 -5.306 1.00 0.00 C ATOM 917 O LEU A 65 -3.660 0.879 -5.589 1.00 0.00 O ATOM 918 CB LEU A 65 -1.303 0.987 -3.820 1.00 0.00 C ATOM 919 CG LEU A 65 0.152 0.917 -3.352 1.00 0.00 C ATOM 920 CD1 LEU A 65 0.406 2.008 -2.310 1.00 0.00 C ATOM 921 CD2 LEU A 65 0.422 -0.455 -2.727 1.00 0.00 C ATOM 0 H LEU A 65 -1.230 1.339 -6.600 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.182 -1.006 -4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.541 1.998 -4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.973 0.756 -2.992 1.00 0.00 H new ATOM 0 HG LEU A 65 0.815 1.066 -4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.443 1.958 -1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.214 2.985 -2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.257 1.859 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.459 -0.505 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.241 -0.603 -1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.241 -1.234 -3.467 1.00 0.00 H new ATOM 933 N VAL A 66 -3.565 -1.291 -5.212 1.00 0.00 N ATOM 934 CA VAL A 66 -5.030 -1.458 -5.453 1.00 0.00 C ATOM 935 C VAL A 66 -5.784 -1.439 -4.120 1.00 0.00 C ATOM 936 O VAL A 66 -5.317 -1.963 -3.126 1.00 0.00 O ATOM 937 CB VAL A 66 -5.170 -2.822 -6.138 1.00 0.00 C ATOM 938 CG1 VAL A 66 -6.646 -3.099 -6.442 1.00 0.00 C ATOM 939 CG2 VAL A 66 -4.378 -2.824 -7.449 1.00 0.00 C ATOM 0 H VAL A 66 -3.065 -2.149 -4.978 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.445 -0.657 -6.065 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.782 -3.595 -5.475 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.741 -4.070 -6.929 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.215 -3.102 -5.512 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.034 -2.323 -7.102 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.479 -3.795 -7.934 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.764 -2.047 -8.109 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.326 -2.631 -7.239 1.00 0.00 H new ATOM 949 N GLU A 67 -6.950 -0.845 -4.098 1.00 0.00 N ATOM 950 CA GLU A 67 -7.747 -0.794 -2.834 1.00 0.00 C ATOM 951 C GLU A 67 -8.533 -2.095 -2.651 1.00 0.00 C ATOM 952 O GLU A 67 -9.442 -2.390 -3.403 1.00 0.00 O ATOM 953 CB GLU A 67 -8.700 0.388 -3.014 1.00 0.00 C ATOM 954 CG GLU A 67 -9.146 0.899 -1.643 1.00 0.00 C ATOM 955 CD GLU A 67 -10.579 1.425 -1.734 1.00 0.00 C ATOM 956 OE1 GLU A 67 -11.361 0.834 -2.461 1.00 0.00 O ATOM 957 OE2 GLU A 67 -10.871 2.411 -1.077 1.00 0.00 O ATOM 0 H GLU A 67 -7.385 -0.392 -4.902 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.116 -0.678 -1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.206 1.186 -3.568 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.567 0.083 -3.600 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.088 0.096 -0.908 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.478 1.691 -1.304 1.00 0.00 H new ATOM 964 N VAL A 68 -8.211 -2.852 -1.634 1.00 0.00 N ATOM 965 CA VAL A 68 -8.962 -4.117 -1.367 1.00 0.00 C ATOM 966 C VAL A 68 -9.724 -4.013 -0.041 1.00 0.00 C ATOM 967 O VAL A 68 -9.712 -4.925 0.764 1.00 0.00 O ATOM 968 CB VAL A 68 -7.893 -5.214 -1.294 1.00 0.00 C ATOM 969 CG1 VAL A 68 -7.166 -5.305 -2.637 1.00 0.00 C ATOM 970 CG2 VAL A 68 -6.879 -4.887 -0.193 1.00 0.00 C ATOM 0 H VAL A 68 -7.459 -2.649 -0.975 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.702 -4.326 -2.140 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.374 -6.165 -1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.406 -6.084 -2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.882 -5.546 -3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.692 -4.349 -2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.124 -5.672 -0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.399 -3.933 -0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.392 -4.823 0.767 1.00 0.00 H new