USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 912 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 66 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 105 ASN : amide:sc= -10.1! C(o=-10!,f=-13!) USER MOD Single : A 8 MET CE :methyl 142:sc= -0.799 (180deg=-3.95!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -98:sc= -4.24! USER MOD Single : A 24 TYR OH : rot -90:sc= -0.958 USER MOD Single : A 31 THR OG1 : rot 169:sc= -1.17! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 148:sc= -2.03! USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.198 K(o=0.2,f=-0.91) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -2.68 X(o=-2.7,f=-2.5) USER MOD Single : A 67 LYS NZ :NH3+ -110:sc= -6.82! (180deg=-12.6!) USER MOD Single : A 77 TYR OH : rot -83:sc= 0.687 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 CYS SG : rot 180:sc= -1.44 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 90:sc= -1.22 USER MOD Single : A 94 SER OG : rot -172:sc= -1.44 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -116:sc= -0.412 (180deg=-1.52!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N MET A 8 -4.059 6.617 -11.363 1.00 0.00 N ATOM 103 CA MET A 8 -2.784 7.116 -10.861 1.00 0.00 C ATOM 104 C MET A 8 -2.001 6.008 -10.164 1.00 0.00 C ATOM 105 O MET A 8 -2.387 5.539 -9.095 1.00 0.00 O ATOM 106 CB MET A 8 -3.003 8.288 -9.901 1.00 0.00 C ATOM 107 CG MET A 8 -1.887 9.321 -9.937 1.00 0.00 C ATOM 108 SD MET A 8 -2.415 10.896 -10.640 1.00 0.00 S ATOM 109 CE MET A 8 -1.173 11.998 -9.969 1.00 0.00 C ATOM 0 HA MET A 8 -2.203 7.465 -11.714 1.00 0.00 H new ATOM 0 HB2 MET A 8 -3.946 8.776 -10.146 1.00 0.00 H new ATOM 0 HB3 MET A 8 -3.097 7.903 -8.886 1.00 0.00 H new ATOM 0 HG2 MET A 8 -1.518 9.486 -8.925 1.00 0.00 H new ATOM 0 HG3 MET A 8 -1.054 8.929 -10.520 1.00 0.00 H new ATOM 0 HE1 MET A 8 -0.904 12.743 -10.718 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.570 12.498 -9.086 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.288 11.424 -9.694 1.00 0.00 H new ATOM 119 N ARG A 9 -0.906 5.586 -10.787 1.00 0.00 N ATOM 120 CA ARG A 9 -0.075 4.519 -10.229 1.00 0.00 C ATOM 121 C ARG A 9 1.256 5.040 -9.696 1.00 0.00 C ATOM 122 O ARG A 9 1.855 5.958 -10.256 1.00 0.00 O ATOM 123 CB ARG A 9 0.167 3.425 -11.277 1.00 0.00 C ATOM 124 CG ARG A 9 1.327 3.708 -12.225 1.00 0.00 C ATOM 125 CD ARG A 9 2.593 2.982 -11.794 1.00 0.00 C ATOM 126 NE ARG A 9 3.367 2.511 -12.941 1.00 0.00 N ATOM 127 CZ ARG A 9 4.688 2.341 -12.929 1.00 0.00 C ATOM 128 NH1 ARG A 9 5.392 2.589 -11.832 1.00 0.00 N ATOM 129 NH2 ARG A 9 5.310 1.916 -14.021 1.00 0.00 N ATOM 0 H ARG A 9 -0.572 5.963 -11.674 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.621 4.097 -9.385 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.355 2.482 -10.764 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.742 3.293 -11.864 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.056 3.400 -13.235 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.516 4.781 -12.259 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.208 3.650 -11.191 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.328 2.135 -11.162 1.00 0.00 H new ATOM 0 HE ARG A 9 2.865 2.300 -13.803 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.922 2.913 -10.987 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.403 2.455 -11.834 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.777 1.720 -14.868 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.322 1.785 -14.014 1.00 0.00 H new ATOM 143 N LEU A 10 1.721 4.413 -8.618 1.00 0.00 N ATOM 144 CA LEU A 10 2.996 4.768 -8.001 1.00 0.00 C ATOM 145 C LEU A 10 3.908 3.548 -7.973 1.00 0.00 C ATOM 146 O LEU A 10 3.451 2.417 -8.147 1.00 0.00 O ATOM 147 CB LEU A 10 2.823 5.320 -6.570 1.00 0.00 C ATOM 148 CG LEU A 10 1.388 5.375 -6.030 1.00 0.00 C ATOM 149 CD1 LEU A 10 1.389 5.538 -4.512 1.00 0.00 C ATOM 150 CD2 LEU A 10 0.625 6.516 -6.682 1.00 0.00 C ATOM 0 H LEU A 10 1.229 3.651 -8.151 1.00 0.00 H new ATOM 0 HA LEU A 10 3.442 5.559 -8.604 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.420 4.708 -5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.239 6.327 -6.540 1.00 0.00 H new ATOM 0 HG LEU A 10 0.892 4.436 -6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.362 5.575 -4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.905 4.693 -4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.901 6.463 -4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.392 6.544 -6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.125 7.460 -6.463 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.594 6.363 -7.761 1.00 0.00 H new ATOM 162 N ARG A 11 5.195 3.775 -7.753 1.00 0.00 N ATOM 163 CA ARG A 11 6.160 2.688 -7.705 1.00 0.00 C ATOM 164 C ARG A 11 6.596 2.413 -6.268 1.00 0.00 C ATOM 165 O ARG A 11 6.716 3.332 -5.459 1.00 0.00 O ATOM 166 CB ARG A 11 7.377 3.014 -8.572 1.00 0.00 C ATOM 167 CG ARG A 11 7.768 1.891 -9.520 1.00 0.00 C ATOM 168 CD ARG A 11 8.228 0.654 -8.764 1.00 0.00 C ATOM 169 NE ARG A 11 9.491 0.134 -9.283 1.00 0.00 N ATOM 170 CZ ARG A 11 9.958 -1.085 -9.018 1.00 0.00 C ATOM 171 NH1 ARG A 11 9.270 -1.910 -8.239 1.00 0.00 N ATOM 172 NH2 ARG A 11 11.115 -1.477 -9.530 1.00 0.00 N ATOM 0 H ARG A 11 5.594 4.702 -7.605 1.00 0.00 H new ATOM 0 HA ARG A 11 5.680 1.791 -8.097 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.169 3.912 -9.153 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.223 3.243 -7.924 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.918 1.636 -10.153 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.566 2.232 -10.180 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.342 0.896 -7.707 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.462 -0.119 -8.833 1.00 0.00 H new ATOM 0 HE ARG A 11 10.048 0.741 -9.884 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.380 -1.612 -7.840 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.631 -2.843 -8.039 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.649 -0.845 -10.127 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.472 -2.410 -9.327 1.00 0.00 H new ATOM 186 N ILE A 12 6.838 1.144 -5.960 1.00 0.00 N ATOM 187 CA ILE A 12 7.267 0.743 -4.629 1.00 0.00 C ATOM 188 C ILE A 12 8.181 -0.472 -4.731 1.00 0.00 C ATOM 189 O ILE A 12 7.719 -1.602 -4.890 1.00 0.00 O ATOM 190 CB ILE A 12 6.048 0.451 -3.709 1.00 0.00 C ATOM 191 CG1 ILE A 12 5.703 1.699 -2.899 1.00 0.00 C ATOM 192 CG2 ILE A 12 6.301 -0.727 -2.777 1.00 0.00 C ATOM 193 CD1 ILE A 12 4.392 1.593 -2.152 1.00 0.00 C ATOM 0 H ILE A 12 6.743 0.372 -6.620 1.00 0.00 H new ATOM 0 HA ILE A 12 7.822 1.565 -4.177 1.00 0.00 H new ATOM 0 HB ILE A 12 5.207 0.182 -4.348 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.504 1.891 -2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.661 2.557 -3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.422 -0.893 -2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.502 -1.621 -3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.160 -0.511 -2.142 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.213 2.515 -1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.581 1.432 -2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.437 0.756 -1.456 1.00 0.00 H new ATOM 205 N ARG A 13 9.483 -0.225 -4.665 1.00 0.00 N ATOM 206 CA ARG A 13 10.464 -1.301 -4.775 1.00 0.00 C ATOM 207 C ARG A 13 11.080 -1.648 -3.425 1.00 0.00 C ATOM 208 O ARG A 13 11.118 -0.826 -2.509 1.00 0.00 O ATOM 209 CB ARG A 13 11.567 -0.929 -5.772 1.00 0.00 C ATOM 210 CG ARG A 13 12.304 0.357 -5.427 1.00 0.00 C ATOM 211 CD ARG A 13 12.867 1.024 -6.672 1.00 0.00 C ATOM 212 NE ARG A 13 14.126 0.415 -7.099 1.00 0.00 N ATOM 213 CZ ARG A 13 15.320 0.761 -6.619 1.00 0.00 C ATOM 214 NH1 ARG A 13 15.426 1.711 -5.699 1.00 0.00 N ATOM 215 NH2 ARG A 13 16.412 0.154 -7.062 1.00 0.00 N ATOM 0 H ARG A 13 9.884 0.704 -4.537 1.00 0.00 H new ATOM 0 HA ARG A 13 9.935 -2.182 -5.139 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.287 -1.746 -5.823 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.127 -0.829 -6.764 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.625 1.043 -4.920 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.114 0.139 -4.731 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.139 0.956 -7.480 1.00 0.00 H new ATOM 0 HD3 ARG A 13 13.026 2.084 -6.475 1.00 0.00 H new ATOM 0 HE ARG A 13 14.088 -0.319 -7.807 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.590 2.182 -5.354 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.344 1.970 -5.337 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.338 -0.577 -7.770 1.00 0.00 H new ATOM 0 HH22 ARG A 13 17.327 0.418 -6.695 1.00 0.00 H new ATOM 229 N PHE A 14 11.574 -2.876 -3.325 1.00 0.00 N ATOM 230 CA PHE A 14 12.209 -3.371 -2.113 1.00 0.00 C ATOM 231 C PHE A 14 13.559 -3.986 -2.467 1.00 0.00 C ATOM 232 O PHE A 14 13.690 -4.666 -3.484 1.00 0.00 O ATOM 233 CB PHE A 14 11.319 -4.412 -1.425 1.00 0.00 C ATOM 234 CG PHE A 14 10.457 -3.852 -0.325 1.00 0.00 C ATOM 235 CD1 PHE A 14 9.650 -2.746 -0.548 1.00 0.00 C ATOM 236 CD2 PHE A 14 10.453 -4.434 0.936 1.00 0.00 C ATOM 237 CE1 PHE A 14 8.855 -2.234 0.460 1.00 0.00 C ATOM 238 CE2 PHE A 14 9.661 -3.924 1.946 1.00 0.00 C ATOM 239 CZ PHE A 14 8.861 -2.823 1.708 1.00 0.00 C ATOM 0 H PHE A 14 11.545 -3.557 -4.084 1.00 0.00 H new ATOM 0 HA PHE A 14 12.357 -2.540 -1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.678 -4.878 -2.173 1.00 0.00 H new ATOM 0 HB3 PHE A 14 11.951 -5.199 -1.012 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.643 -2.279 -1.522 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.076 -5.295 1.129 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.230 -1.374 0.271 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.667 -4.386 2.922 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.241 -2.424 2.497 1.00 0.00 H new ATOM 249 N GLU A 15 14.560 -3.731 -1.637 1.00 0.00 N ATOM 250 CA GLU A 15 15.911 -4.249 -1.876 1.00 0.00 C ATOM 251 C GLU A 15 15.895 -5.713 -2.314 1.00 0.00 C ATOM 252 O GLU A 15 16.796 -6.165 -3.020 1.00 0.00 O ATOM 253 CB GLU A 15 16.777 -4.112 -0.617 1.00 0.00 C ATOM 254 CG GLU A 15 17.694 -2.897 -0.620 1.00 0.00 C ATOM 255 CD GLU A 15 17.063 -1.676 -1.264 1.00 0.00 C ATOM 256 OE1 GLU A 15 15.892 -1.378 -0.950 1.00 0.00 O ATOM 257 OE2 GLU A 15 17.741 -1.020 -2.082 1.00 0.00 O ATOM 0 H GLU A 15 14.468 -3.169 -0.791 1.00 0.00 H new ATOM 0 HA GLU A 15 16.336 -3.652 -2.683 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.125 -4.059 0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.384 -5.011 -0.507 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.972 -2.656 0.406 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.614 -3.145 -1.149 1.00 0.00 H new ATOM 264 N SER A 16 14.884 -6.453 -1.882 1.00 0.00 N ATOM 265 CA SER A 16 14.778 -7.868 -2.221 1.00 0.00 C ATOM 266 C SER A 16 13.479 -8.183 -2.959 1.00 0.00 C ATOM 267 O SER A 16 13.025 -9.328 -2.953 1.00 0.00 O ATOM 268 CB SER A 16 14.866 -8.718 -0.953 1.00 0.00 C ATOM 269 OG SER A 16 16.209 -9.067 -0.665 1.00 0.00 O ATOM 0 H SER A 16 14.126 -6.100 -1.297 1.00 0.00 H new ATOM 0 HA SER A 16 15.607 -8.107 -2.887 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.442 -8.168 -0.113 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.270 -9.622 -1.076 1.00 0.00 H new ATOM 0 HG SER A 16 16.238 -9.609 0.151 1.00 0.00 H new ATOM 275 N ALA A 17 12.877 -7.180 -3.599 1.00 0.00 N ATOM 276 CA ALA A 17 11.628 -7.411 -4.332 1.00 0.00 C ATOM 277 C ALA A 17 11.147 -6.169 -5.083 1.00 0.00 C ATOM 278 O ALA A 17 11.411 -5.040 -4.677 1.00 0.00 O ATOM 279 CB ALA A 17 10.540 -7.904 -3.384 1.00 0.00 C ATOM 0 H ALA A 17 13.222 -6.221 -3.627 1.00 0.00 H new ATOM 0 HA ALA A 17 11.837 -8.177 -5.079 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.619 -8.071 -3.943 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.857 -8.838 -2.920 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.365 -7.156 -2.611 1.00 0.00 H new ATOM 285 N GLU A 18 10.430 -6.403 -6.184 1.00 0.00 N ATOM 286 CA GLU A 18 9.890 -5.318 -7.010 1.00 0.00 C ATOM 287 C GLU A 18 8.377 -5.461 -7.172 1.00 0.00 C ATOM 288 O GLU A 18 7.871 -6.566 -7.367 1.00 0.00 O ATOM 289 CB GLU A 18 10.561 -5.313 -8.383 1.00 0.00 C ATOM 290 CG GLU A 18 10.405 -6.622 -9.141 1.00 0.00 C ATOM 291 CD GLU A 18 11.388 -6.755 -10.288 1.00 0.00 C ATOM 292 OE1 GLU A 18 11.341 -5.914 -11.210 1.00 0.00 O ATOM 293 OE2 GLU A 18 12.205 -7.699 -10.262 1.00 0.00 O ATOM 0 H GLU A 18 10.208 -7.338 -6.526 1.00 0.00 H new ATOM 0 HA GLU A 18 10.098 -4.373 -6.508 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.141 -4.504 -8.981 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.623 -5.099 -8.259 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.543 -7.455 -8.452 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.389 -6.694 -9.529 1.00 0.00 H new ATOM 300 N CYS A 19 7.651 -4.341 -7.087 1.00 0.00 N ATOM 301 CA CYS A 19 6.188 -4.376 -7.225 1.00 0.00 C ATOM 302 C CYS A 19 5.613 -2.983 -7.498 1.00 0.00 C ATOM 303 O CYS A 19 6.159 -1.977 -7.041 1.00 0.00 O ATOM 304 CB CYS A 19 5.525 -4.973 -5.967 1.00 0.00 C ATOM 305 SG CYS A 19 6.644 -5.260 -4.572 1.00 0.00 S ATOM 0 H CYS A 19 8.042 -3.413 -6.926 1.00 0.00 H new ATOM 0 HA CYS A 19 5.966 -5.015 -8.080 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.729 -4.303 -5.642 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.056 -5.919 -6.237 1.00 0.00 H new ATOM 0 HG CYS A 19 7.006 -6.508 -4.556 1.00 0.00 H new ATOM 311 N GLU A 20 4.501 -2.932 -8.238 1.00 0.00 N ATOM 312 CA GLU A 20 3.848 -1.665 -8.560 1.00 0.00 C ATOM 313 C GLU A 20 2.394 -1.688 -8.088 1.00 0.00 C ATOM 314 O GLU A 20 1.819 -2.759 -7.891 1.00 0.00 O ATOM 315 CB GLU A 20 3.907 -1.394 -10.070 1.00 0.00 C ATOM 316 CG GLU A 20 5.140 -1.971 -10.748 1.00 0.00 C ATOM 317 CD GLU A 20 5.363 -1.404 -12.136 1.00 0.00 C ATOM 318 OE1 GLU A 20 4.440 -0.747 -12.664 1.00 0.00 O ATOM 319 OE2 GLU A 20 6.458 -1.616 -12.694 1.00 0.00 O ATOM 0 H GLU A 20 4.037 -3.754 -8.624 1.00 0.00 H new ATOM 0 HA GLU A 20 4.377 -0.864 -8.044 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.016 -1.811 -10.540 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.881 -0.317 -10.238 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.016 -1.769 -10.132 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.040 -3.054 -10.814 1.00 0.00 H new ATOM 326 N VAL A 21 1.807 -0.510 -7.897 1.00 0.00 N ATOM 327 CA VAL A 21 0.425 -0.419 -7.435 1.00 0.00 C ATOM 328 C VAL A 21 -0.270 0.820 -7.998 1.00 0.00 C ATOM 329 O VAL A 21 0.324 1.892 -8.097 1.00 0.00 O ATOM 330 CB VAL A 21 0.347 -0.426 -5.882 1.00 0.00 C ATOM 331 CG1 VAL A 21 1.733 -0.589 -5.274 1.00 0.00 C ATOM 332 CG2 VAL A 21 -0.330 0.828 -5.338 1.00 0.00 C ATOM 0 H VAL A 21 2.263 0.389 -8.054 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.098 -1.300 -7.807 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.266 -1.280 -5.594 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.655 -0.591 -4.187 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.169 -1.530 -5.609 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.369 0.238 -5.591 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.363 0.781 -4.250 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.234 1.709 -5.646 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.345 0.892 -5.729 1.00 0.00 H new ATOM 342 N GLU A 22 -1.541 0.656 -8.356 1.00 0.00 N ATOM 343 CA GLU A 22 -2.338 1.748 -8.901 1.00 0.00 C ATOM 344 C GLU A 22 -3.172 2.385 -7.797 1.00 0.00 C ATOM 345 O GLU A 22 -3.083 1.980 -6.639 1.00 0.00 O ATOM 346 CB GLU A 22 -3.251 1.239 -10.019 1.00 0.00 C ATOM 347 CG GLU A 22 -2.632 1.344 -11.404 1.00 0.00 C ATOM 348 CD GLU A 22 -3.189 0.318 -12.370 1.00 0.00 C ATOM 349 OE1 GLU A 22 -4.330 0.506 -12.844 1.00 0.00 O ATOM 350 OE2 GLU A 22 -2.484 -0.673 -12.656 1.00 0.00 O ATOM 0 H GLU A 22 -2.042 -0.229 -8.277 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.664 2.497 -9.317 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.507 0.198 -9.822 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.182 1.805 -10.002 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.807 2.344 -11.801 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.552 1.216 -11.326 1.00 0.00 H new ATOM 357 N LEU A 23 -3.981 3.382 -8.146 1.00 0.00 N ATOM 358 CA LEU A 23 -4.815 4.046 -7.153 1.00 0.00 C ATOM 359 C LEU A 23 -6.056 4.661 -7.788 1.00 0.00 C ATOM 360 O LEU A 23 -6.016 5.156 -8.913 1.00 0.00 O ATOM 361 CB LEU A 23 -3.999 5.110 -6.399 1.00 0.00 C ATOM 362 CG LEU A 23 -4.805 6.216 -5.697 1.00 0.00 C ATOM 363 CD1 LEU A 23 -5.416 5.709 -4.396 1.00 0.00 C ATOM 364 CD2 LEU A 23 -3.913 7.417 -5.428 1.00 0.00 C ATOM 0 H LEU A 23 -4.075 3.743 -9.095 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.154 3.295 -6.439 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.387 4.605 -5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.315 5.581 -7.105 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.620 6.516 -6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.980 6.512 -3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.083 4.874 -4.609 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.622 5.378 -3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.491 8.196 -4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.083 7.118 -4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.524 7.800 -6.372 1.00 0.00 H new ATOM 376 N TYR A 24 -7.159 4.623 -7.046 1.00 0.00 N ATOM 377 CA TYR A 24 -8.424 5.175 -7.517 1.00 0.00 C ATOM 378 C TYR A 24 -8.998 6.157 -6.494 1.00 0.00 C ATOM 379 O TYR A 24 -8.808 5.992 -5.289 1.00 0.00 O ATOM 380 CB TYR A 24 -9.423 4.046 -7.808 1.00 0.00 C ATOM 381 CG TYR A 24 -8.899 3.005 -8.773 1.00 0.00 C ATOM 382 CD1 TYR A 24 -8.087 3.363 -9.843 1.00 0.00 C ATOM 383 CD2 TYR A 24 -9.217 1.661 -8.613 1.00 0.00 C ATOM 384 CE1 TYR A 24 -7.607 2.413 -10.724 1.00 0.00 C ATOM 385 CE2 TYR A 24 -8.741 0.707 -9.492 1.00 0.00 C ATOM 386 CZ TYR A 24 -7.936 1.087 -10.544 1.00 0.00 C ATOM 387 OH TYR A 24 -7.461 0.138 -11.419 1.00 0.00 O ATOM 0 H TYR A 24 -7.201 4.214 -6.113 1.00 0.00 H new ATOM 0 HA TYR A 24 -8.241 5.720 -8.443 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.690 3.558 -6.871 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.338 4.478 -8.214 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.827 4.401 -9.988 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.846 1.358 -7.789 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.977 2.708 -11.550 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -8.999 -0.333 -9.355 1.00 0.00 H new ATOM 0 HH TYR A 24 -8.097 0.025 -12.156 1.00 0.00 H new ATOM 397 N GLU A 25 -9.682 7.190 -6.985 1.00 0.00 N ATOM 398 CA GLU A 25 -10.267 8.220 -6.115 1.00 0.00 C ATOM 399 C GLU A 25 -11.233 7.648 -5.072 1.00 0.00 C ATOM 400 O GLU A 25 -11.676 8.373 -4.181 1.00 0.00 O ATOM 401 CB GLU A 25 -10.998 9.284 -6.940 1.00 0.00 C ATOM 402 CG GLU A 25 -10.090 10.111 -7.842 1.00 0.00 C ATOM 403 CD GLU A 25 -10.805 10.612 -9.081 1.00 0.00 C ATOM 404 OE1 GLU A 25 -11.353 9.776 -9.828 1.00 0.00 O ATOM 405 OE2 GLU A 25 -10.819 11.841 -9.303 1.00 0.00 O ATOM 0 H GLU A 25 -9.847 7.339 -7.980 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.428 8.669 -5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.753 8.795 -7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.525 9.955 -6.261 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.703 10.961 -7.281 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.232 9.508 -8.140 1.00 0.00 H new ATOM 412 N GLU A 26 -11.578 6.365 -5.183 1.00 0.00 N ATOM 413 CA GLU A 26 -12.509 5.738 -4.243 1.00 0.00 C ATOM 414 C GLU A 26 -12.170 6.104 -2.796 1.00 0.00 C ATOM 415 O GLU A 26 -13.053 6.157 -1.939 1.00 0.00 O ATOM 416 CB GLU A 26 -12.498 4.217 -4.419 1.00 0.00 C ATOM 417 CG GLU A 26 -11.253 3.539 -3.863 1.00 0.00 C ATOM 418 CD GLU A 26 -11.164 2.075 -4.252 1.00 0.00 C ATOM 419 OE1 GLU A 26 -11.728 1.233 -3.524 1.00 0.00 O ATOM 420 OE2 GLU A 26 -10.529 1.774 -5.285 1.00 0.00 O ATOM 0 H GLU A 26 -11.229 5.741 -5.911 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.508 6.115 -4.461 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.377 3.798 -3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.583 3.984 -5.480 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.367 4.062 -4.224 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.252 3.623 -2.776 1.00 0.00 H new ATOM 427 N TRP A 27 -10.895 6.376 -2.533 1.00 0.00 N ATOM 428 CA TRP A 27 -10.460 6.760 -1.198 1.00 0.00 C ATOM 429 C TRP A 27 -10.743 8.245 -0.978 1.00 0.00 C ATOM 430 O TRP A 27 -11.452 8.612 -0.041 1.00 0.00 O ATOM 431 CB TRP A 27 -8.967 6.450 -1.014 1.00 0.00 C ATOM 432 CG TRP A 27 -8.371 7.014 0.241 1.00 0.00 C ATOM 433 CD1 TRP A 27 -9.041 7.497 1.329 1.00 0.00 C ATOM 434 CD2 TRP A 27 -6.978 7.143 0.536 1.00 0.00 C ATOM 435 NE1 TRP A 27 -8.147 7.922 2.281 1.00 0.00 N ATOM 436 CE2 TRP A 27 -6.874 7.716 1.817 1.00 0.00 C ATOM 437 CE3 TRP A 27 -5.806 6.832 -0.161 1.00 0.00 C ATOM 438 CZ2 TRP A 27 -5.644 7.981 2.414 1.00 0.00 C ATOM 439 CZ3 TRP A 27 -4.587 7.095 0.434 1.00 0.00 C ATOM 440 CH2 TRP A 27 -4.514 7.664 1.711 1.00 0.00 C ATOM 0 H TRP A 27 -10.148 6.337 -3.226 1.00 0.00 H new ATOM 0 HA TRP A 27 -11.014 6.185 -0.456 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -8.830 5.369 -1.014 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -8.418 6.841 -1.871 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -10.116 7.539 1.426 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.391 8.325 3.186 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -5.853 6.394 -1.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -5.584 8.422 3.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.676 6.858 -0.095 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -3.546 7.857 2.150 1.00 0.00 H new ATOM 451 N ALA A 28 -10.206 9.090 -1.867 1.00 0.00 N ATOM 452 CA ALA A 28 -10.419 10.541 -1.796 1.00 0.00 C ATOM 453 C ALA A 28 -9.302 11.309 -2.503 1.00 0.00 C ATOM 454 O ALA A 28 -8.148 11.266 -2.078 1.00 0.00 O ATOM 455 CB ALA A 28 -10.533 11.018 -0.350 1.00 0.00 C ATOM 0 H ALA A 28 -9.619 8.792 -2.646 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.359 10.745 -2.308 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.690 12.096 -0.334 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -11.375 10.521 0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.615 10.777 0.186 1.00 0.00 H new ATOM 461 N PRO A 29 -9.628 12.033 -3.596 1.00 0.00 N ATOM 462 CA PRO A 29 -8.642 12.809 -4.348 1.00 0.00 C ATOM 463 C PRO A 29 -7.734 13.637 -3.435 1.00 0.00 C ATOM 464 O PRO A 29 -6.551 13.817 -3.720 1.00 0.00 O ATOM 465 CB PRO A 29 -9.482 13.743 -5.237 1.00 0.00 C ATOM 466 CG PRO A 29 -10.922 13.434 -4.952 1.00 0.00 C ATOM 467 CD PRO A 29 -10.973 12.143 -4.179 1.00 0.00 C ATOM 0 HA PRO A 29 -7.978 12.155 -4.913 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -9.260 14.788 -5.018 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -9.253 13.583 -6.291 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -11.379 14.240 -4.379 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -11.484 13.345 -5.881 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -11.743 12.168 -3.408 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -11.199 11.297 -4.828 1.00 0.00 H new ATOM 475 N GLU A 30 -8.302 14.143 -2.343 1.00 0.00 N ATOM 476 CA GLU A 30 -7.551 14.957 -1.392 1.00 0.00 C ATOM 477 C GLU A 30 -6.364 14.189 -0.815 1.00 0.00 C ATOM 478 O GLU A 30 -5.230 14.670 -0.847 1.00 0.00 O ATOM 479 CB GLU A 30 -8.466 15.426 -0.260 1.00 0.00 C ATOM 480 CG GLU A 30 -9.399 16.557 -0.662 1.00 0.00 C ATOM 481 CD GLU A 30 -10.667 16.058 -1.326 1.00 0.00 C ATOM 482 OE1 GLU A 30 -11.051 14.896 -1.074 1.00 0.00 O ATOM 483 OE2 GLU A 30 -11.275 16.827 -2.097 1.00 0.00 O ATOM 0 H GLU A 30 -9.281 14.003 -2.095 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.165 15.824 -1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.061 14.582 0.089 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.853 15.753 0.580 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.661 17.139 0.222 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.877 17.229 -1.343 1.00 0.00 H new ATOM 490 N THR A 31 -6.628 13.000 -0.285 1.00 0.00 N ATOM 491 CA THR A 31 -5.563 12.175 0.301 1.00 0.00 C ATOM 492 C THR A 31 -4.540 11.790 -0.766 1.00 0.00 C ATOM 493 O THR A 31 -3.333 11.878 -0.544 1.00 0.00 O ATOM 494 CB THR A 31 -6.143 10.914 0.959 1.00 0.00 C ATOM 495 OG1 THR A 31 -7.525 10.789 0.673 1.00 0.00 O ATOM 496 CG2 THR A 31 -5.985 10.888 2.470 1.00 0.00 C ATOM 0 H THR A 31 -7.558 12.584 -0.246 1.00 0.00 H new ATOM 0 HA THR A 31 -5.065 12.764 1.071 1.00 0.00 H new ATOM 0 HB THR A 31 -5.572 10.087 0.538 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.838 9.903 0.952 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.417 9.969 2.865 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.926 10.930 2.726 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.498 11.746 2.904 1.00 0.00 H new ATOM 504 N VAL A 32 -5.035 11.369 -1.928 1.00 0.00 N ATOM 505 CA VAL A 32 -4.171 10.977 -3.038 1.00 0.00 C ATOM 506 C VAL A 32 -3.079 12.020 -3.288 1.00 0.00 C ATOM 507 O VAL A 32 -1.987 11.692 -3.751 1.00 0.00 O ATOM 508 CB VAL A 32 -4.987 10.785 -4.333 1.00 0.00 C ATOM 509 CG1 VAL A 32 -4.086 10.382 -5.490 1.00 0.00 C ATOM 510 CG2 VAL A 32 -6.086 9.754 -4.119 1.00 0.00 C ATOM 0 H VAL A 32 -6.033 11.291 -2.125 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.705 10.032 -2.760 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.452 11.737 -4.588 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.686 10.253 -6.391 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.341 11.159 -5.659 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.584 9.444 -5.251 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.653 9.630 -5.042 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.640 8.801 -3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.753 10.092 -3.326 1.00 0.00 H new ATOM 520 N ARG A 33 -3.390 13.277 -2.988 1.00 0.00 N ATOM 521 CA ARG A 33 -2.440 14.369 -3.187 1.00 0.00 C ATOM 522 C ARG A 33 -1.174 14.165 -2.356 1.00 0.00 C ATOM 523 O ARG A 33 -0.071 14.466 -2.811 1.00 0.00 O ATOM 524 CB ARG A 33 -3.089 15.711 -2.828 1.00 0.00 C ATOM 525 CG ARG A 33 -2.398 16.913 -3.455 1.00 0.00 C ATOM 526 CD ARG A 33 -2.805 18.207 -2.770 1.00 0.00 C ATOM 527 NE ARG A 33 -2.243 19.379 -3.436 1.00 0.00 N ATOM 528 CZ ARG A 33 -2.712 20.617 -3.283 1.00 0.00 C ATOM 529 NH1 ARG A 33 -3.748 20.847 -2.486 1.00 0.00 N ATOM 530 NH2 ARG A 33 -2.142 21.626 -3.928 1.00 0.00 N ATOM 0 H ARG A 33 -4.291 13.566 -2.607 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.158 14.376 -4.240 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.132 15.696 -3.145 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -3.087 15.827 -1.744 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.317 16.789 -3.388 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -2.648 16.966 -4.515 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.892 18.284 -2.757 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.475 18.187 -1.731 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.444 19.242 -4.055 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.189 20.074 -1.987 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.103 21.796 -2.372 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.345 21.454 -4.541 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.501 22.574 -3.811 1.00 0.00 H new ATOM 544 N ALA A 34 -1.337 13.657 -1.138 1.00 0.00 N ATOM 545 CA ALA A 34 -0.203 13.419 -0.250 1.00 0.00 C ATOM 546 C ALA A 34 0.710 12.332 -0.802 1.00 0.00 C ATOM 547 O ALA A 34 1.930 12.497 -0.842 1.00 0.00 O ATOM 548 CB ALA A 34 -0.684 13.051 1.141 1.00 0.00 C ATOM 0 H ALA A 34 -2.242 13.402 -0.743 1.00 0.00 H new ATOM 0 HA ALA A 34 0.373 14.342 -0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.175 12.877 1.789 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.285 13.866 1.546 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.288 12.145 1.089 1.00 0.00 H new ATOM 554 N ILE A 35 0.118 11.223 -1.230 1.00 0.00 N ATOM 555 CA ILE A 35 0.898 10.117 -1.788 1.00 0.00 C ATOM 556 C ILE A 35 1.797 10.632 -2.914 1.00 0.00 C ATOM 557 O ILE A 35 3.006 10.405 -2.906 1.00 0.00 O ATOM 558 CB ILE A 35 0.017 8.971 -2.348 1.00 0.00 C ATOM 559 CG1 ILE A 35 -1.426 9.064 -1.845 1.00 0.00 C ATOM 560 CG2 ILE A 35 0.616 7.622 -1.980 1.00 0.00 C ATOM 561 CD1 ILE A 35 -1.551 8.957 -0.340 1.00 0.00 C ATOM 0 H ILE A 35 -0.889 11.063 -1.203 1.00 0.00 H new ATOM 0 HA ILE A 35 1.488 9.712 -0.966 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.006 9.072 -3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.855 10.012 -2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.015 8.272 -2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.011 6.825 -2.379 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.618 7.541 -2.402 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.671 7.532 -0.895 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.601 9.031 -0.056 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.152 7.998 -0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.990 9.765 0.130 1.00 0.00 H new ATOM 573 N ALA A 36 1.194 11.342 -3.879 1.00 0.00 N ATOM 574 CA ALA A 36 1.946 11.900 -4.996 1.00 0.00 C ATOM 575 C ALA A 36 2.979 12.900 -4.495 1.00 0.00 C ATOM 576 O ALA A 36 4.025 13.087 -5.107 1.00 0.00 O ATOM 577 CB ALA A 36 1.007 12.558 -5.996 1.00 0.00 C ATOM 0 H ALA A 36 0.193 11.539 -3.903 1.00 0.00 H new ATOM 0 HA ALA A 36 2.469 11.087 -5.500 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.586 12.969 -6.823 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.305 11.817 -6.378 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.456 13.360 -5.505 1.00 0.00 H new ATOM 583 N ASP A 37 2.684 13.543 -3.371 1.00 0.00 N ATOM 584 CA ASP A 37 3.615 14.510 -2.797 1.00 0.00 C ATOM 585 C ASP A 37 4.842 13.798 -2.218 1.00 0.00 C ATOM 586 O ASP A 37 5.918 14.383 -2.105 1.00 0.00 O ATOM 587 CB ASP A 37 2.926 15.334 -1.709 1.00 0.00 C ATOM 588 CG ASP A 37 3.602 16.672 -1.481 1.00 0.00 C ATOM 589 OD1 ASP A 37 4.059 17.283 -2.471 1.00 0.00 O ATOM 590 OD2 ASP A 37 3.679 17.108 -0.313 1.00 0.00 O ATOM 0 H ASP A 37 1.820 13.416 -2.844 1.00 0.00 H new ATOM 0 HA ASP A 37 3.943 15.181 -3.591 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.885 15.499 -1.987 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.922 14.769 -0.777 1.00 0.00 H new ATOM 595 N ALA A 38 4.659 12.532 -1.844 1.00 0.00 N ATOM 596 CA ALA A 38 5.723 11.725 -1.264 1.00 0.00 C ATOM 597 C ALA A 38 6.399 10.831 -2.309 1.00 0.00 C ATOM 598 O ALA A 38 6.561 9.628 -2.097 1.00 0.00 O ATOM 599 CB ALA A 38 5.149 10.883 -0.136 1.00 0.00 C ATOM 0 H ALA A 38 3.770 12.041 -1.936 1.00 0.00 H new ATOM 0 HA ALA A 38 6.490 12.395 -0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.940 10.276 0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.727 11.537 0.627 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.368 10.232 -0.529 1.00 0.00 H new ATOM 605 N LEU A 39 6.811 11.426 -3.427 1.00 0.00 N ATOM 606 CA LEU A 39 7.492 10.685 -4.496 1.00 0.00 C ATOM 607 C LEU A 39 8.814 10.097 -3.953 1.00 0.00 C ATOM 608 O LEU A 39 8.930 9.944 -2.738 1.00 0.00 O ATOM 609 CB LEU A 39 7.683 11.586 -5.724 1.00 0.00 C ATOM 610 CG LEU A 39 6.391 12.177 -6.309 1.00 0.00 C ATOM 611 CD1 LEU A 39 6.612 12.585 -7.758 1.00 0.00 C ATOM 612 CD2 LEU A 39 5.236 11.180 -6.218 1.00 0.00 C ATOM 0 H LEU A 39 6.687 12.420 -3.620 1.00 0.00 H new ATOM 0 HA LEU A 39 6.882 9.844 -4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.349 12.406 -5.453 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.185 11.011 -6.502 1.00 0.00 H new ATOM 0 HG LEU A 39 6.127 13.057 -5.723 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.690 13.003 -8.163 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.403 13.334 -7.809 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.902 11.711 -8.342 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.336 11.627 -6.640 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.489 10.278 -6.776 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.059 10.923 -5.174 1.00 0.00 H new ATOM 624 N PRO A 40 9.828 9.716 -4.791 1.00 0.00 N ATOM 625 CA PRO A 40 11.072 9.125 -4.290 1.00 0.00 C ATOM 626 C PRO A 40 11.462 9.595 -2.890 1.00 0.00 C ATOM 627 O PRO A 40 11.922 10.722 -2.698 1.00 0.00 O ATOM 628 CB PRO A 40 12.091 9.578 -5.322 1.00 0.00 C ATOM 629 CG PRO A 40 11.334 9.585 -6.609 1.00 0.00 C ATOM 630 CD PRO A 40 9.871 9.797 -6.269 1.00 0.00 C ATOM 0 HA PRO A 40 10.989 8.044 -4.178 1.00 0.00 H new ATOM 0 HB2 PRO A 40 12.484 10.567 -5.086 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.943 8.899 -5.365 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.696 10.378 -7.263 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.473 8.644 -7.142 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.515 10.763 -6.626 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.241 9.036 -6.728 1.00 0.00 H new ATOM 638 N ILE A 41 11.275 8.705 -1.922 1.00 0.00 N ATOM 639 CA ILE A 41 11.599 8.982 -0.529 1.00 0.00 C ATOM 640 C ILE A 41 12.042 7.693 0.159 1.00 0.00 C ATOM 641 O ILE A 41 11.601 6.606 -0.212 1.00 0.00 O ATOM 642 CB ILE A 41 10.394 9.602 0.226 1.00 0.00 C ATOM 643 CG1 ILE A 41 10.186 11.059 -0.208 1.00 0.00 C ATOM 644 CG2 ILE A 41 10.598 9.531 1.734 1.00 0.00 C ATOM 645 CD1 ILE A 41 9.078 11.769 0.543 1.00 0.00 C ATOM 0 H ILE A 41 10.895 7.772 -2.081 1.00 0.00 H new ATOM 0 HA ILE A 41 12.411 9.709 -0.507 1.00 0.00 H new ATOM 0 HB ILE A 41 9.505 9.025 -0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 41 11.117 11.607 -0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 41 9.962 11.082 -1.274 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.739 9.973 2.239 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.702 8.490 2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.500 10.080 2.005 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.991 12.793 0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.136 11.246 0.381 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.309 11.779 1.608 1.00 0.00 H new ATOM 657 N LYS A 42 12.924 7.811 1.143 1.00 0.00 N ATOM 658 CA LYS A 42 13.429 6.639 1.850 1.00 0.00 C ATOM 659 C LYS A 42 12.510 6.232 3.001 1.00 0.00 C ATOM 660 O LYS A 42 12.030 7.074 3.759 1.00 0.00 O ATOM 661 CB LYS A 42 14.841 6.905 2.378 1.00 0.00 C ATOM 662 CG LYS A 42 15.931 6.246 1.548 1.00 0.00 C ATOM 663 CD LYS A 42 17.082 7.202 1.271 1.00 0.00 C ATOM 664 CE LYS A 42 18.202 7.033 2.284 1.00 0.00 C ATOM 665 NZ LYS A 42 17.853 7.628 3.603 1.00 0.00 N ATOM 0 H LYS A 42 13.303 8.700 1.469 1.00 0.00 H new ATOM 0 HA LYS A 42 13.458 5.814 1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 42 15.015 7.981 2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 42 14.910 6.547 3.405 1.00 0.00 H new ATOM 0 HG2 LYS A 42 16.306 5.367 2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 42 15.510 5.899 0.604 1.00 0.00 H new ATOM 0 HD2 LYS A 42 17.468 7.027 0.267 1.00 0.00 H new ATOM 0 HD3 LYS A 42 16.718 8.229 1.298 1.00 0.00 H new ATOM 0 HE2 LYS A 42 18.420 5.973 2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 42 19.109 7.502 1.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 18.643 7.491 4.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 17.670 8.645 3.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 17.002 7.164 3.979 1.00 0.00 H new ATOM 679 N SER A 43 12.281 4.927 3.119 1.00 0.00 N ATOM 680 CA SER A 43 11.432 4.377 4.169 1.00 0.00 C ATOM 681 C SER A 43 11.952 3.012 4.616 1.00 0.00 C ATOM 682 O SER A 43 12.537 2.274 3.822 1.00 0.00 O ATOM 683 CB SER A 43 9.985 4.258 3.688 1.00 0.00 C ATOM 684 OG SER A 43 9.737 3.005 3.081 1.00 0.00 O ATOM 0 H SER A 43 12.677 4.225 2.493 1.00 0.00 H new ATOM 0 HA SER A 43 11.459 5.058 5.020 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.309 4.394 4.532 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.771 5.056 2.977 1.00 0.00 H new ATOM 0 HG SER A 43 8.810 2.737 3.250 1.00 0.00 H new ATOM 690 N THR A 44 11.741 2.679 5.886 1.00 0.00 N ATOM 691 CA THR A 44 12.201 1.394 6.418 1.00 0.00 C ATOM 692 C THR A 44 11.037 0.416 6.519 1.00 0.00 C ATOM 693 O THR A 44 9.977 0.743 7.052 1.00 0.00 O ATOM 694 CB THR A 44 12.853 1.582 7.790 1.00 0.00 C ATOM 695 OG1 THR A 44 13.204 2.939 7.998 1.00 0.00 O ATOM 696 CG2 THR A 44 14.106 0.750 7.976 1.00 0.00 C ATOM 0 H THR A 44 11.260 3.272 6.562 1.00 0.00 H new ATOM 0 HA THR A 44 12.945 0.985 5.734 1.00 0.00 H new ATOM 0 HB THR A 44 12.106 1.253 8.512 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.618 3.038 8.881 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.518 0.930 8.969 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.860 -0.307 7.871 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.842 1.028 7.222 1.00 0.00 H new ATOM 704 N ALA A 45 11.236 -0.780 5.973 1.00 0.00 N ATOM 705 CA ALA A 45 10.199 -1.807 5.967 1.00 0.00 C ATOM 706 C ALA A 45 10.240 -2.700 7.201 1.00 0.00 C ATOM 707 O ALA A 45 11.295 -3.193 7.600 1.00 0.00 O ATOM 708 CB ALA A 45 10.315 -2.665 4.713 1.00 0.00 C ATOM 0 H ALA A 45 12.109 -1.063 5.528 1.00 0.00 H new ATOM 0 HA ALA A 45 9.243 -1.284 5.978 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.536 -3.427 4.720 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.199 -2.036 3.830 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.293 -3.146 4.690 1.00 0.00 H new ATOM 714 N ASN A 46 9.063 -2.928 7.770 1.00 0.00 N ATOM 715 CA ASN A 46 8.917 -3.796 8.934 1.00 0.00 C ATOM 716 C ASN A 46 8.278 -5.118 8.495 1.00 0.00 C ATOM 717 O ASN A 46 7.195 -5.115 7.913 1.00 0.00 O ATOM 718 CB ASN A 46 8.052 -3.122 9.999 1.00 0.00 C ATOM 719 CG ASN A 46 8.835 -2.132 10.838 1.00 0.00 C ATOM 720 OD1 ASN A 46 9.990 -2.373 11.188 1.00 0.00 O ATOM 721 ND2 ASN A 46 8.207 -1.008 11.169 1.00 0.00 N ATOM 0 H ASN A 46 8.188 -2.520 7.441 1.00 0.00 H new ATOM 0 HA ASN A 46 9.899 -3.989 9.365 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.221 -2.608 9.516 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.621 -3.884 10.649 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.683 -0.305 11.734 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.249 -0.848 10.858 1.00 0.00 H new ATOM 728 N ARG A 47 8.954 -6.244 8.737 1.00 0.00 N ATOM 729 CA ARG A 47 8.427 -7.537 8.315 1.00 0.00 C ATOM 730 C ARG A 47 7.394 -8.098 9.294 1.00 0.00 C ATOM 731 O ARG A 47 7.582 -8.057 10.510 1.00 0.00 O ATOM 732 CB ARG A 47 9.574 -8.530 8.123 1.00 0.00 C ATOM 733 CG ARG A 47 9.939 -8.740 6.660 1.00 0.00 C ATOM 734 CD ARG A 47 9.535 -10.119 6.153 1.00 0.00 C ATOM 735 NE ARG A 47 8.357 -10.652 6.840 1.00 0.00 N ATOM 736 CZ ARG A 47 8.043 -11.946 6.873 1.00 0.00 C ATOM 737 NH1 ARG A 47 8.808 -12.839 6.256 1.00 0.00 N ATOM 738 NH2 ARG A 47 6.962 -12.349 7.525 1.00 0.00 N ATOM 0 H ARG A 47 9.854 -6.284 9.216 1.00 0.00 H new ATOM 0 HA ARG A 47 7.912 -7.384 7.366 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.451 -8.173 8.663 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.296 -9.487 8.564 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.452 -7.976 6.054 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.014 -8.610 6.534 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.332 -10.063 5.083 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.369 -10.808 6.284 1.00 0.00 H new ATOM 0 HE ARG A 47 7.742 -9.995 7.320 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.642 -12.536 5.753 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.562 -13.828 6.285 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.370 -11.668 8.002 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.721 -13.340 7.550 1.00 0.00 H new ATOM 752 N TRP A 48 6.306 -8.636 8.739 1.00 0.00 N ATOM 753 CA TRP A 48 5.232 -9.229 9.527 1.00 0.00 C ATOM 754 C TRP A 48 4.499 -10.269 8.686 1.00 0.00 C ATOM 755 O TRP A 48 4.421 -10.128 7.467 1.00 0.00 O ATOM 756 CB TRP A 48 4.255 -8.154 10.012 1.00 0.00 C ATOM 757 CG TRP A 48 3.113 -8.703 10.810 1.00 0.00 C ATOM 758 CD1 TRP A 48 2.076 -9.459 10.343 1.00 0.00 C ATOM 759 CD2 TRP A 48 2.891 -8.542 12.215 1.00 0.00 C ATOM 760 NE1 TRP A 48 1.222 -9.778 11.370 1.00 0.00 N ATOM 761 CE2 TRP A 48 1.700 -9.227 12.530 1.00 0.00 C ATOM 762 CE3 TRP A 48 3.581 -7.886 13.239 1.00 0.00 C ATOM 763 CZ2 TRP A 48 1.189 -9.272 13.825 1.00 0.00 C ATOM 764 CZ3 TRP A 48 3.072 -7.932 14.523 1.00 0.00 C ATOM 765 CH2 TRP A 48 1.885 -8.622 14.806 1.00 0.00 C ATOM 0 H TRP A 48 6.148 -8.671 7.732 1.00 0.00 H new ATOM 0 HA TRP A 48 5.664 -9.712 10.404 1.00 0.00 H new ATOM 0 HB2 TRP A 48 4.797 -7.429 10.619 1.00 0.00 H new ATOM 0 HB3 TRP A 48 3.861 -7.617 9.150 1.00 0.00 H new ATOM 0 HD1 TRP A 48 1.946 -9.762 9.315 1.00 0.00 H new ATOM 0 HE1 TRP A 48 0.371 -10.334 11.284 1.00 0.00 H new ATOM 0 HE3 TRP A 48 4.496 -7.352 13.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.274 -9.802 14.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 3.597 -7.428 15.321 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.513 -8.641 15.820 1.00 0.00 H new ATOM 776 N GLY A 49 3.983 -11.314 9.337 1.00 0.00 N ATOM 777 CA GLY A 49 3.275 -12.380 8.632 1.00 0.00 C ATOM 778 C GLY A 49 2.492 -11.901 7.422 1.00 0.00 C ATOM 779 O GLY A 49 1.302 -11.604 7.522 1.00 0.00 O ATOM 0 H GLY A 49 4.043 -11.443 10.347 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.996 -13.132 8.312 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.591 -12.869 9.325 1.00 0.00 H new ATOM 783 N ASP A 50 3.169 -11.825 6.274 1.00 0.00 N ATOM 784 CA ASP A 50 2.548 -11.381 5.025 1.00 0.00 C ATOM 785 C ASP A 50 2.355 -9.863 4.987 1.00 0.00 C ATOM 786 O ASP A 50 2.487 -9.244 3.930 1.00 0.00 O ATOM 787 CB ASP A 50 1.201 -12.074 4.810 1.00 0.00 C ATOM 788 CG ASP A 50 0.663 -11.866 3.409 1.00 0.00 C ATOM 789 OD1 ASP A 50 1.372 -12.213 2.443 1.00 0.00 O ATOM 790 OD2 ASP A 50 -0.469 -11.354 3.280 1.00 0.00 O ATOM 0 H ASP A 50 4.156 -12.068 6.184 1.00 0.00 H new ATOM 0 HA ASP A 50 3.229 -11.657 4.220 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.310 -13.142 5.000 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.480 -11.694 5.534 1.00 0.00 H new ATOM 795 N GLU A 51 2.033 -9.269 6.131 1.00 0.00 N ATOM 796 CA GLU A 51 1.813 -7.832 6.210 1.00 0.00 C ATOM 797 C GLU A 51 3.132 -7.070 6.260 1.00 0.00 C ATOM 798 O GLU A 51 4.069 -7.472 6.951 1.00 0.00 O ATOM 799 CB GLU A 51 0.969 -7.495 7.442 1.00 0.00 C ATOM 800 CG GLU A 51 -0.124 -6.475 7.173 1.00 0.00 C ATOM 801 CD GLU A 51 0.178 -5.121 7.786 1.00 0.00 C ATOM 802 OE1 GLU A 51 1.280 -4.589 7.536 1.00 0.00 O ATOM 803 OE2 GLU A 51 -0.688 -4.592 8.515 1.00 0.00 O ATOM 0 H GLU A 51 1.919 -9.762 7.016 1.00 0.00 H new ATOM 0 HA GLU A 51 1.279 -7.526 5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.514 -8.410 7.821 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.623 -7.115 8.227 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.253 -6.362 6.097 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.069 -6.847 7.570 1.00 0.00 H new ATOM 810 N ILE A 52 3.193 -5.962 5.530 1.00 0.00 N ATOM 811 CA ILE A 52 4.387 -5.130 5.498 1.00 0.00 C ATOM 812 C ILE A 52 4.000 -3.659 5.598 1.00 0.00 C ATOM 813 O ILE A 52 3.410 -3.092 4.680 1.00 0.00 O ATOM 814 CB ILE A 52 5.232 -5.404 4.223 1.00 0.00 C ATOM 815 CG1 ILE A 52 6.663 -5.800 4.606 1.00 0.00 C ATOM 816 CG2 ILE A 52 5.259 -4.211 3.270 1.00 0.00 C ATOM 817 CD1 ILE A 52 6.806 -7.237 5.071 1.00 0.00 C ATOM 0 H ILE A 52 2.426 -5.620 4.951 1.00 0.00 H new ATOM 0 HA ILE A 52 5.008 -5.384 6.357 1.00 0.00 H new ATOM 0 HB ILE A 52 4.752 -6.229 3.697 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.315 -5.641 3.747 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.012 -5.137 5.398 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.863 -4.457 2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.243 -3.975 2.954 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.690 -3.349 3.779 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.848 -7.436 5.323 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.183 -7.398 5.951 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.490 -7.910 4.274 1.00 0.00 H new ATOM 829 N TYR A 53 4.315 -3.052 6.730 1.00 0.00 N ATOM 830 CA TYR A 53 3.977 -1.646 6.958 1.00 0.00 C ATOM 831 C TYR A 53 5.215 -0.795 7.205 1.00 0.00 C ATOM 832 O TYR A 53 6.047 -1.112 8.055 1.00 0.00 O ATOM 833 CB TYR A 53 3.003 -1.505 8.138 1.00 0.00 C ATOM 834 CG TYR A 53 3.594 -1.908 9.474 1.00 0.00 C ATOM 835 CD1 TYR A 53 4.363 -1.016 10.217 1.00 0.00 C ATOM 836 CD2 TYR A 53 3.384 -3.181 9.992 1.00 0.00 C ATOM 837 CE1 TYR A 53 4.900 -1.384 11.436 1.00 0.00 C ATOM 838 CE2 TYR A 53 3.919 -3.554 11.211 1.00 0.00 C ATOM 839 CZ TYR A 53 4.678 -2.652 11.927 1.00 0.00 C ATOM 840 OH TYR A 53 5.212 -3.020 13.140 1.00 0.00 O ATOM 0 H TYR A 53 4.802 -3.503 7.505 1.00 0.00 H new ATOM 0 HA TYR A 53 3.496 -1.283 6.050 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.668 -0.470 8.198 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.121 -2.115 7.943 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.542 -0.022 9.835 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.793 -3.891 9.432 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.492 -0.680 12.002 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.744 -4.546 11.600 1.00 0.00 H new ATOM 0 HH TYR A 53 4.960 -3.946 13.341 1.00 0.00 H new ATOM 850 N PHE A 54 5.317 0.300 6.456 1.00 0.00 N ATOM 851 CA PHE A 54 6.436 1.223 6.586 1.00 0.00 C ATOM 852 C PHE A 54 5.941 2.665 6.561 1.00 0.00 C ATOM 853 O PHE A 54 4.994 2.993 5.844 1.00 0.00 O ATOM 854 CB PHE A 54 7.459 0.995 5.464 1.00 0.00 C ATOM 855 CG PHE A 54 6.956 1.349 4.085 1.00 0.00 C ATOM 856 CD1 PHE A 54 6.705 2.668 3.733 1.00 0.00 C ATOM 857 CD2 PHE A 54 6.730 0.359 3.142 1.00 0.00 C ATOM 858 CE1 PHE A 54 6.243 2.989 2.471 1.00 0.00 C ATOM 859 CE2 PHE A 54 6.266 0.675 1.878 1.00 0.00 C ATOM 860 CZ PHE A 54 6.022 1.992 1.543 1.00 0.00 C ATOM 0 H PHE A 54 4.633 0.569 5.749 1.00 0.00 H new ATOM 0 HA PHE A 54 6.924 1.036 7.543 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.351 1.585 5.676 1.00 0.00 H new ATOM 0 HB3 PHE A 54 7.761 -0.052 5.470 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.873 3.454 4.455 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.919 -0.673 3.398 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.055 4.020 2.211 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.095 -0.108 1.154 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.659 2.241 0.557 1.00 0.00 H new ATOM 870 N THR A 55 6.587 3.529 7.336 1.00 0.00 N ATOM 871 CA THR A 55 6.206 4.940 7.384 1.00 0.00 C ATOM 872 C THR A 55 7.026 5.738 6.374 1.00 0.00 C ATOM 873 O THR A 55 8.183 5.410 6.109 1.00 0.00 O ATOM 874 CB THR A 55 6.412 5.501 8.792 1.00 0.00 C ATOM 875 OG1 THR A 55 6.433 4.457 9.750 1.00 0.00 O ATOM 876 CG2 THR A 55 5.337 6.481 9.208 1.00 0.00 C ATOM 0 H THR A 55 7.373 3.281 7.937 1.00 0.00 H new ATOM 0 HA THR A 55 5.150 5.025 7.128 1.00 0.00 H new ATOM 0 HB THR A 55 7.367 6.025 8.757 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.567 4.836 10.644 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.543 6.841 10.216 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.326 7.324 8.517 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.366 5.985 9.191 1.00 0.00 H new ATOM 884 N THR A 56 6.425 6.779 5.803 1.00 0.00 N ATOM 885 CA THR A 56 7.116 7.601 4.812 1.00 0.00 C ATOM 886 C THR A 56 7.205 9.064 5.245 1.00 0.00 C ATOM 887 O THR A 56 7.632 9.921 4.472 1.00 0.00 O ATOM 888 CB THR A 56 6.409 7.504 3.460 1.00 0.00 C ATOM 889 OG1 THR A 56 5.187 6.796 3.578 1.00 0.00 O ATOM 890 CG2 THR A 56 7.241 6.810 2.404 1.00 0.00 C ATOM 0 H THR A 56 5.469 7.072 6.007 1.00 0.00 H new ATOM 0 HA THR A 56 8.132 7.217 4.723 1.00 0.00 H new ATOM 0 HB THR A 56 6.236 8.534 3.149 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.751 6.748 2.702 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.684 6.773 1.468 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.169 7.361 2.252 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.470 5.795 2.730 1.00 0.00 H new ATOM 898 N GLN A 57 6.802 9.342 6.482 1.00 0.00 N ATOM 899 CA GLN A 57 6.838 10.704 7.029 1.00 0.00 C ATOM 900 C GLN A 57 5.634 11.531 6.575 1.00 0.00 C ATOM 901 O GLN A 57 5.431 12.646 7.052 1.00 0.00 O ATOM 902 CB GLN A 57 8.144 11.435 6.652 1.00 0.00 C ATOM 903 CG GLN A 57 9.402 10.583 6.790 1.00 0.00 C ATOM 904 CD GLN A 57 10.633 11.277 6.242 1.00 0.00 C ATOM 905 OE1 GLN A 57 10.674 12.504 6.136 1.00 0.00 O ATOM 906 NE2 GLN A 57 11.648 10.494 5.891 1.00 0.00 N ATOM 0 H GLN A 57 6.444 8.641 7.131 1.00 0.00 H new ATOM 0 HA GLN A 57 6.797 10.601 8.113 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.067 11.784 5.622 1.00 0.00 H new ATOM 0 HB3 GLN A 57 8.247 12.319 7.282 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.561 10.343 7.841 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.257 9.638 6.266 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.572 9.482 5.996 1.00 0.00 H new ATOM 0 HE22 GLN A 57 12.503 10.905 5.517 1.00 0.00 H new ATOM 915 N VAL A 58 4.822 10.984 5.668 1.00 0.00 N ATOM 916 CA VAL A 58 3.641 11.697 5.194 1.00 0.00 C ATOM 917 C VAL A 58 2.461 11.432 6.124 1.00 0.00 C ATOM 918 O VAL A 58 2.010 10.295 6.260 1.00 0.00 O ATOM 919 CB VAL A 58 3.268 11.311 3.744 1.00 0.00 C ATOM 920 CG1 VAL A 58 2.935 9.830 3.632 1.00 0.00 C ATOM 921 CG2 VAL A 58 2.106 12.159 3.248 1.00 0.00 C ATOM 0 H VAL A 58 4.960 10.062 5.254 1.00 0.00 H new ATOM 0 HA VAL A 58 3.880 12.760 5.198 1.00 0.00 H new ATOM 0 HB VAL A 58 4.136 11.505 3.114 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.677 9.592 2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.799 9.239 3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.090 9.597 4.280 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.857 11.873 2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.240 12.000 3.890 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.387 13.212 3.272 1.00 0.00 H new ATOM 931 N ALA A 59 1.981 12.485 6.782 1.00 0.00 N ATOM 932 CA ALA A 59 0.868 12.349 7.719 1.00 0.00 C ATOM 933 C ALA A 59 -0.434 12.895 7.144 1.00 0.00 C ATOM 934 O ALA A 59 -0.718 14.089 7.244 1.00 0.00 O ATOM 935 CB ALA A 59 1.187 13.034 9.044 1.00 0.00 C ATOM 0 H ALA A 59 2.342 13.434 6.685 1.00 0.00 H new ATOM 0 HA ALA A 59 0.730 11.282 7.896 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.344 12.919 9.725 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.074 12.579 9.485 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.372 14.094 8.870 1.00 0.00 H new ATOM 941 N VAL A 60 -1.226 12.006 6.560 1.00 0.00 N ATOM 942 CA VAL A 60 -2.512 12.380 5.981 1.00 0.00 C ATOM 943 C VAL A 60 -3.623 11.516 6.576 1.00 0.00 C ATOM 944 O VAL A 60 -3.730 10.333 6.262 1.00 0.00 O ATOM 945 CB VAL A 60 -2.496 12.223 4.443 1.00 0.00 C ATOM 946 CG1 VAL A 60 -1.987 10.842 4.041 1.00 0.00 C ATOM 947 CG2 VAL A 60 -3.876 12.486 3.850 1.00 0.00 C ATOM 0 H VAL A 60 -1.000 11.015 6.474 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.699 13.427 6.218 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.810 12.967 4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.985 10.757 2.954 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.973 10.704 4.417 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.638 10.077 4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.835 12.369 2.767 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.592 11.776 4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.189 13.501 4.093 1.00 0.00 H new ATOM 957 N GLU A 61 -4.442 12.105 7.449 1.00 0.00 N ATOM 958 CA GLU A 61 -5.523 11.362 8.085 1.00 0.00 C ATOM 959 C GLU A 61 -6.871 12.048 7.884 1.00 0.00 C ATOM 960 O GLU A 61 -6.984 13.268 7.990 1.00 0.00 O ATOM 961 CB GLU A 61 -5.238 11.193 9.580 1.00 0.00 C ATOM 962 CG GLU A 61 -5.131 9.741 10.018 1.00 0.00 C ATOM 963 CD GLU A 61 -5.451 9.549 11.487 1.00 0.00 C ATOM 964 OE1 GLU A 61 -4.855 10.262 12.321 1.00 0.00 O ATOM 965 OE2 GLU A 61 -6.295 8.685 11.804 1.00 0.00 O ATOM 0 H GLU A 61 -4.376 13.084 7.728 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.574 10.381 7.613 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.309 11.707 9.825 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.030 11.678 10.150 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.811 9.134 9.420 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.122 9.379 9.820 1.00 0.00 H new ATOM 972 N LYS A 62 -7.891 11.243 7.600 1.00 0.00 N ATOM 973 CA LYS A 62 -9.241 11.754 7.390 1.00 0.00 C ATOM 974 C LYS A 62 -10.274 10.685 7.742 1.00 0.00 C ATOM 975 O LYS A 62 -9.936 9.508 7.864 1.00 0.00 O ATOM 976 CB LYS A 62 -9.419 12.202 5.935 1.00 0.00 C ATOM 977 CG LYS A 62 -10.818 12.707 5.614 1.00 0.00 C ATOM 978 CD LYS A 62 -10.896 13.272 4.205 1.00 0.00 C ATOM 979 CE LYS A 62 -12.100 14.182 4.036 1.00 0.00 C ATOM 980 NZ LYS A 62 -12.123 14.835 2.697 1.00 0.00 N ATOM 0 H LYS A 62 -7.807 10.230 7.510 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.392 12.614 8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -8.699 12.991 5.717 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.185 11.366 5.276 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.534 11.892 5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.102 13.476 6.332 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.985 13.828 3.984 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.953 12.454 3.487 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.014 13.603 4.173 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.088 14.947 4.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.961 15.447 2.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.264 15.408 2.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.161 14.106 1.956 1.00 0.00 H new ATOM 994 N GLU A 63 -11.531 11.092 7.907 1.00 0.00 N ATOM 995 CA GLU A 63 -12.595 10.153 8.245 1.00 0.00 C ATOM 996 C GLU A 63 -13.433 9.820 7.016 1.00 0.00 C ATOM 997 O GLU A 63 -14.451 10.461 6.754 1.00 0.00 O ATOM 998 CB GLU A 63 -13.494 10.727 9.342 1.00 0.00 C ATOM 999 CG GLU A 63 -12.752 11.579 10.361 1.00 0.00 C ATOM 1000 CD GLU A 63 -12.691 13.041 9.962 1.00 0.00 C ATOM 1001 OE1 GLU A 63 -13.756 13.692 9.925 1.00 0.00 O ATOM 1002 OE2 GLU A 63 -11.576 13.535 9.688 1.00 0.00 O ATOM 0 H GLU A 63 -11.835 12.061 7.812 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.129 9.238 8.612 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.276 11.329 8.880 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.988 9.905 9.860 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.243 11.490 11.330 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.739 11.196 10.481 1.00 0.00 H new ATOM 1009 N GLU A 64 -12.996 8.817 6.265 1.00 0.00 N ATOM 1010 CA GLU A 64 -13.706 8.401 5.061 1.00 0.00 C ATOM 1011 C GLU A 64 -13.140 7.084 4.521 1.00 0.00 C ATOM 1012 O GLU A 64 -11.970 6.770 4.740 1.00 0.00 O ATOM 1013 CB GLU A 64 -13.610 9.506 3.997 1.00 0.00 C ATOM 1014 CG GLU A 64 -13.813 9.023 2.566 1.00 0.00 C ATOM 1015 CD GLU A 64 -14.458 10.073 1.684 1.00 0.00 C ATOM 1016 OE1 GLU A 64 -15.139 10.968 2.227 1.00 0.00 O ATOM 1017 OE2 GLU A 64 -14.281 10.000 0.450 1.00 0.00 O ATOM 0 H GLU A 64 -12.155 8.277 6.467 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.754 8.236 5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.354 10.271 4.218 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -12.632 9.981 4.072 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.850 8.739 2.142 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.435 8.128 2.573 1.00 0.00 H new ATOM 1024 N ASN A 65 -13.972 6.323 3.808 1.00 0.00 N ATOM 1025 CA ASN A 65 -13.548 5.051 3.229 1.00 0.00 C ATOM 1026 C ASN A 65 -13.305 4.003 4.312 1.00 0.00 C ATOM 1027 O ASN A 65 -14.160 3.155 4.566 1.00 0.00 O ATOM 1028 CB ASN A 65 -12.280 5.242 2.388 1.00 0.00 C ATOM 1029 CG ASN A 65 -11.962 4.028 1.538 1.00 0.00 C ATOM 1030 OD1 ASN A 65 -12.682 3.030 1.567 1.00 0.00 O ATOM 1031 ND2 ASN A 65 -10.880 4.107 0.775 1.00 0.00 N ATOM 0 H ASN A 65 -14.944 6.567 3.619 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.352 4.694 2.585 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -12.403 6.112 1.743 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.438 5.451 3.048 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.616 3.321 0.181 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.312 4.954 0.782 1.00 0.00 H new ATOM 1038 N SER A 66 -12.134 4.079 4.945 1.00 0.00 N ATOM 1039 CA SER A 66 -11.739 3.151 6.012 1.00 0.00 C ATOM 1040 C SER A 66 -12.454 1.796 5.906 1.00 0.00 C ATOM 1041 O SER A 66 -13.451 1.567 6.591 1.00 0.00 O ATOM 1042 CB SER A 66 -12.032 3.777 7.376 1.00 0.00 C ATOM 1043 OG SER A 66 -11.016 4.692 7.747 1.00 0.00 O ATOM 0 H SER A 66 -11.430 4.786 4.734 1.00 0.00 H new ATOM 0 HA SER A 66 -10.670 2.967 5.901 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.993 4.290 7.345 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.113 2.993 8.129 1.00 0.00 H new ATOM 0 HG SER A 66 -11.228 5.079 8.622 1.00 0.00 H new ATOM 1049 N LYS A 67 -11.939 0.893 5.067 1.00 0.00 N ATOM 1050 CA LYS A 67 -12.555 -0.434 4.926 1.00 0.00 C ATOM 1051 C LYS A 67 -11.760 -1.479 5.705 1.00 0.00 C ATOM 1052 O LYS A 67 -10.578 -1.282 5.992 1.00 0.00 O ATOM 1053 CB LYS A 67 -12.696 -0.863 3.451 1.00 0.00 C ATOM 1054 CG LYS A 67 -11.417 -0.784 2.630 1.00 0.00 C ATOM 1055 CD LYS A 67 -10.521 -1.990 2.872 1.00 0.00 C ATOM 1056 CE LYS A 67 -9.181 -1.839 2.177 1.00 0.00 C ATOM 1057 NZ LYS A 67 -8.186 -2.836 2.664 1.00 0.00 N ATOM 0 H LYS A 67 -11.115 1.048 4.486 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.560 -0.363 5.341 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.066 -1.888 3.421 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.452 -0.237 2.978 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.667 -0.722 1.571 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.877 0.128 2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.364 -2.118 3.943 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.018 -2.891 2.513 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.315 -1.955 1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.797 -0.832 2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.453 -2.352 3.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.664 -3.541 3.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.745 -3.312 1.851 1.00 0.00 H new ATOM 1071 N ASP A 68 -12.415 -2.583 6.064 1.00 0.00 N ATOM 1072 CA ASP A 68 -11.757 -3.642 6.830 1.00 0.00 C ATOM 1073 C ASP A 68 -11.730 -4.976 6.079 1.00 0.00 C ATOM 1074 O ASP A 68 -11.083 -5.924 6.525 1.00 0.00 O ATOM 1075 CB ASP A 68 -12.458 -3.827 8.177 1.00 0.00 C ATOM 1076 CG ASP A 68 -13.964 -3.925 8.037 1.00 0.00 C ATOM 1077 OD1 ASP A 68 -14.436 -4.280 6.936 1.00 0.00 O ATOM 1078 OD2 ASP A 68 -14.673 -3.647 9.027 1.00 0.00 O ATOM 0 H ASP A 68 -13.393 -2.767 5.839 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.724 -3.330 6.985 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.081 -4.729 8.658 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.210 -2.990 8.830 1.00 0.00 H new ATOM 1083 N VAL A 69 -12.426 -5.058 4.947 1.00 0.00 N ATOM 1084 CA VAL A 69 -12.453 -6.298 4.171 1.00 0.00 C ATOM 1085 C VAL A 69 -12.015 -6.059 2.729 1.00 0.00 C ATOM 1086 O VAL A 69 -12.330 -5.025 2.139 1.00 0.00 O ATOM 1087 CB VAL A 69 -13.854 -6.952 4.186 1.00 0.00 C ATOM 1088 CG1 VAL A 69 -14.819 -6.226 3.255 1.00 0.00 C ATOM 1089 CG2 VAL A 69 -13.755 -8.425 3.816 1.00 0.00 C ATOM 0 H VAL A 69 -12.972 -4.293 4.550 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.748 -6.980 4.646 1.00 0.00 H new ATOM 0 HB VAL A 69 -14.251 -6.871 5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -15.794 -6.712 3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -14.919 -5.188 3.573 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -14.434 -6.258 2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -14.749 -8.872 3.831 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -13.329 -8.521 2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -13.116 -8.938 4.534 1.00 0.00 H new ATOM 1099 N VAL A 70 -11.290 -7.025 2.167 1.00 0.00 N ATOM 1100 CA VAL A 70 -10.809 -6.917 0.788 1.00 0.00 C ATOM 1101 C VAL A 70 -10.468 -8.284 0.198 1.00 0.00 C ATOM 1102 O VAL A 70 -10.219 -9.243 0.931 1.00 0.00 O ATOM 1103 CB VAL A 70 -9.566 -6.005 0.690 1.00 0.00 C ATOM 1104 CG1 VAL A 70 -9.911 -4.582 1.099 1.00 0.00 C ATOM 1105 CG2 VAL A 70 -8.404 -6.537 1.528 1.00 0.00 C ATOM 0 H VAL A 70 -11.023 -7.888 2.641 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.624 -6.476 0.215 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.245 -6.002 -0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.022 -3.956 1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.687 -4.192 0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.272 -4.576 2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.549 -5.867 1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.705 -6.593 2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.127 -7.531 1.177 1.00 0.00 H new ATOM 1115 N GLU A 71 -10.465 -8.370 -1.135 1.00 0.00 N ATOM 1116 CA GLU A 71 -10.158 -9.627 -1.823 1.00 0.00 C ATOM 1117 C GLU A 71 -8.667 -9.754 -2.115 1.00 0.00 C ATOM 1118 O GLU A 71 -7.961 -8.764 -2.279 1.00 0.00 O ATOM 1119 CB GLU A 71 -10.955 -9.759 -3.129 1.00 0.00 C ATOM 1120 CG GLU A 71 -12.363 -9.206 -3.034 1.00 0.00 C ATOM 1121 CD GLU A 71 -12.976 -8.926 -4.393 1.00 0.00 C ATOM 1122 OE1 GLU A 71 -12.717 -9.706 -5.333 1.00 0.00 O ATOM 1123 OE2 GLU A 71 -13.716 -7.928 -4.515 1.00 0.00 O ATOM 0 H GLU A 71 -10.671 -7.588 -1.757 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.451 -10.434 -1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.422 -9.240 -3.925 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.004 -10.811 -3.411 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.992 -9.915 -2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.349 -8.286 -2.450 1.00 0.00 H new ATOM 1130 N LEU A 72 -8.203 -10.991 -2.173 1.00 0.00 N ATOM 1131 CA LEU A 72 -6.791 -11.288 -2.439 1.00 0.00 C ATOM 1132 C LEU A 72 -6.269 -10.524 -3.660 1.00 0.00 C ATOM 1133 O LEU A 72 -6.827 -10.631 -4.752 1.00 0.00 O ATOM 1134 CB LEU A 72 -6.611 -12.798 -2.668 1.00 0.00 C ATOM 1135 CG LEU A 72 -5.184 -13.264 -2.985 1.00 0.00 C ATOM 1136 CD1 LEU A 72 -4.492 -13.765 -1.728 1.00 0.00 C ATOM 1137 CD2 LEU A 72 -5.210 -14.360 -4.043 1.00 0.00 C ATOM 0 H LEU A 72 -8.784 -11.818 -2.039 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.217 -10.969 -1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.954 -13.324 -1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.262 -13.101 -3.488 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.623 -12.414 -3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.481 -14.091 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.445 -12.961 -0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.052 -14.603 -1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.191 -14.682 -4.259 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.788 -15.208 -3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.670 -13.976 -4.954 1.00 0.00 H new ATOM 1149 N GLY A 73 -5.180 -9.775 -3.476 1.00 0.00 N ATOM 1150 CA GLY A 73 -4.591 -9.036 -4.590 1.00 0.00 C ATOM 1151 C GLY A 73 -4.658 -7.524 -4.442 1.00 0.00 C ATOM 1152 O GLY A 73 -3.774 -6.817 -4.929 1.00 0.00 O ATOM 0 H GLY A 73 -4.697 -9.666 -2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.548 -9.333 -4.697 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.100 -9.322 -5.510 1.00 0.00 H new ATOM 1156 N ASP A 74 -5.701 -7.015 -3.796 1.00 0.00 N ATOM 1157 CA ASP A 74 -5.850 -5.568 -3.630 1.00 0.00 C ATOM 1158 C ASP A 74 -4.873 -5.008 -2.596 1.00 0.00 C ATOM 1159 O ASP A 74 -4.394 -5.725 -1.718 1.00 0.00 O ATOM 1160 CB ASP A 74 -7.288 -5.202 -3.250 1.00 0.00 C ATOM 1161 CG ASP A 74 -7.887 -6.147 -2.235 1.00 0.00 C ATOM 1162 OD1 ASP A 74 -7.200 -6.464 -1.240 1.00 0.00 O ATOM 1163 OD2 ASP A 74 -9.045 -6.573 -2.432 1.00 0.00 O ATOM 0 H ASP A 74 -6.449 -7.572 -3.382 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.615 -5.113 -4.592 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.306 -4.188 -2.850 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.907 -5.201 -4.147 1.00 0.00 H new ATOM 1168 N VAL A 75 -4.584 -3.712 -2.716 1.00 0.00 N ATOM 1169 CA VAL A 75 -3.661 -3.021 -1.802 1.00 0.00 C ATOM 1170 C VAL A 75 -4.420 -1.991 -0.953 1.00 0.00 C ATOM 1171 O VAL A 75 -5.452 -1.480 -1.389 1.00 0.00 O ATOM 1172 CB VAL A 75 -2.531 -2.300 -2.584 1.00 0.00 C ATOM 1173 CG1 VAL A 75 -1.450 -1.772 -1.649 1.00 0.00 C ATOM 1174 CG2 VAL A 75 -1.928 -3.229 -3.627 1.00 0.00 C ATOM 0 H VAL A 75 -4.977 -3.112 -3.441 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.215 -3.775 -1.154 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.975 -1.444 -3.092 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.676 -1.274 -2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.890 -1.062 -0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.010 -2.602 -1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.137 -2.707 -4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.512 -4.108 -3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.702 -3.539 -4.329 1.00 0.00 H new ATOM 1184 N ALA A 76 -3.933 -1.684 0.259 1.00 0.00 N ATOM 1185 CA ALA A 76 -4.618 -0.721 1.116 1.00 0.00 C ATOM 1186 C ALA A 76 -3.647 0.075 1.984 1.00 0.00 C ATOM 1187 O ALA A 76 -2.596 -0.429 2.382 1.00 0.00 O ATOM 1188 CB ALA A 76 -5.637 -1.434 1.992 1.00 0.00 C ATOM 0 H ALA A 76 -3.083 -2.083 0.657 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.127 -0.011 0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.143 -0.707 2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.370 -1.937 1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.129 -2.170 2.616 1.00 0.00 H new ATOM 1194 N TYR A 77 -4.018 1.320 2.284 1.00 0.00 N ATOM 1195 CA TYR A 77 -3.197 2.188 3.120 1.00 0.00 C ATOM 1196 C TYR A 77 -3.799 2.278 4.521 1.00 0.00 C ATOM 1197 O TYR A 77 -4.960 2.653 4.681 1.00 0.00 O ATOM 1198 CB TYR A 77 -3.079 3.583 2.478 1.00 0.00 C ATOM 1199 CG TYR A 77 -3.297 4.743 3.430 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -4.578 5.184 3.741 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -2.221 5.397 4.016 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -4.778 6.240 4.608 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -2.415 6.454 4.883 1.00 0.00 C ATOM 1204 CZ TYR A 77 -3.693 6.871 5.177 1.00 0.00 C ATOM 1205 OH TYR A 77 -3.890 7.921 6.043 1.00 0.00 O ATOM 0 H TYR A 77 -4.884 1.748 1.958 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.195 1.768 3.203 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.089 3.679 2.031 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.803 3.656 1.667 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -5.431 4.693 3.297 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.216 5.073 3.790 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.780 6.570 4.839 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.567 6.952 5.329 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.016 8.748 5.532 1.00 0.00 H new ATOM 1215 N TRP A 78 -3.011 1.924 5.530 1.00 0.00 N ATOM 1216 CA TRP A 78 -3.492 1.964 6.910 1.00 0.00 C ATOM 1217 C TRP A 78 -3.805 3.397 7.334 1.00 0.00 C ATOM 1218 O TRP A 78 -2.927 4.260 7.325 1.00 0.00 O ATOM 1219 CB TRP A 78 -2.456 1.353 7.858 1.00 0.00 C ATOM 1220 CG TRP A 78 -3.055 0.817 9.123 1.00 0.00 C ATOM 1221 CD1 TRP A 78 -4.343 0.967 9.546 1.00 0.00 C ATOM 1222 CD2 TRP A 78 -2.389 0.045 10.130 1.00 0.00 C ATOM 1223 NE1 TRP A 78 -4.521 0.342 10.754 1.00 0.00 N ATOM 1224 CE2 TRP A 78 -3.336 -0.234 11.135 1.00 0.00 C ATOM 1225 CE3 TRP A 78 -1.086 -0.437 10.281 1.00 0.00 C ATOM 1226 CZ2 TRP A 78 -3.021 -0.972 12.272 1.00 0.00 C ATOM 1227 CZ3 TRP A 78 -0.775 -1.170 11.411 1.00 0.00 C ATOM 1228 CH2 TRP A 78 -1.738 -1.432 12.393 1.00 0.00 C ATOM 0 H TRP A 78 -2.047 1.609 5.423 1.00 0.00 H new ATOM 0 HA TRP A 78 -4.409 1.377 6.964 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -1.932 0.548 7.343 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -1.712 2.109 8.108 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.112 1.501 9.007 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -5.393 0.311 11.283 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -0.336 -0.241 9.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -3.762 -1.174 13.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.229 -1.547 11.539 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -1.463 -2.009 13.264 1.00 0.00 H new ATOM 1239 N ILE A 79 -5.061 3.651 7.704 1.00 0.00 N ATOM 1240 CA ILE A 79 -5.471 4.986 8.125 1.00 0.00 C ATOM 1241 C ILE A 79 -4.866 5.335 9.491 1.00 0.00 C ATOM 1242 O ILE A 79 -4.000 6.206 9.572 1.00 0.00 O ATOM 1243 CB ILE A 79 -7.015 5.130 8.133 1.00 0.00 C ATOM 1244 CG1 ILE A 79 -7.528 5.388 6.708 1.00 0.00 C ATOM 1245 CG2 ILE A 79 -7.469 6.235 9.083 1.00 0.00 C ATOM 1246 CD1 ILE A 79 -8.337 6.662 6.549 1.00 0.00 C ATOM 0 H ILE A 79 -5.805 2.954 7.720 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.087 5.700 7.397 1.00 0.00 H new ATOM 0 HB ILE A 79 -7.441 4.195 8.496 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.675 5.428 6.031 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.142 4.542 6.398 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.556 6.308 9.063 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.139 6.002 10.096 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.036 7.185 8.770 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.658 6.762 5.512 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -9.212 6.620 7.197 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.723 7.520 6.824 1.00 0.00 H new ATOM 1258 N PRO A 80 -5.286 4.663 10.587 1.00 0.00 N ATOM 1259 CA PRO A 80 -4.736 4.935 11.920 1.00 0.00 C ATOM 1260 C PRO A 80 -3.237 4.640 11.984 1.00 0.00 C ATOM 1261 O PRO A 80 -2.818 3.601 12.492 1.00 0.00 O ATOM 1262 CB PRO A 80 -5.503 3.980 12.846 1.00 0.00 C ATOM 1263 CG PRO A 80 -6.704 3.559 12.071 1.00 0.00 C ATOM 1264 CD PRO A 80 -6.302 3.597 10.625 1.00 0.00 C ATOM 0 HA PRO A 80 -4.847 5.984 12.196 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.890 3.121 13.119 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.788 4.476 13.774 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -7.023 2.558 12.360 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.544 4.228 12.260 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.895 2.641 10.295 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.149 3.824 9.977 1.00 0.00 H new ATOM 1272 N GLY A 81 -2.437 5.561 11.460 1.00 0.00 N ATOM 1273 CA GLY A 81 -0.996 5.386 11.460 1.00 0.00 C ATOM 1274 C GLY A 81 -0.344 5.877 10.176 1.00 0.00 C ATOM 1275 O GLY A 81 0.881 5.956 10.091 1.00 0.00 O ATOM 0 H GLY A 81 -2.762 6.429 11.034 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.569 5.923 12.307 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.762 4.331 11.601 1.00 0.00 H new ATOM 1279 N LYS A 82 -1.160 6.212 9.170 1.00 0.00 N ATOM 1280 CA LYS A 82 -0.637 6.704 7.888 1.00 0.00 C ATOM 1281 C LYS A 82 0.439 5.769 7.339 1.00 0.00 C ATOM 1282 O LYS A 82 1.420 6.216 6.743 1.00 0.00 O ATOM 1283 CB LYS A 82 -0.054 8.118 8.041 1.00 0.00 C ATOM 1284 CG LYS A 82 -0.668 8.944 9.166 1.00 0.00 C ATOM 1285 CD LYS A 82 0.265 9.032 10.364 1.00 0.00 C ATOM 1286 CE LYS A 82 -0.489 9.401 11.631 1.00 0.00 C ATOM 1287 NZ LYS A 82 -0.708 10.870 11.739 1.00 0.00 N ATOM 0 H LYS A 82 -2.177 6.153 9.216 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.471 6.735 7.186 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.019 8.037 8.213 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.187 8.654 7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.891 9.947 8.803 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.614 8.498 9.472 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.769 8.076 10.505 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.039 9.775 10.170 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.451 8.889 11.643 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.069 9.052 12.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.225 11.080 12.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.210 11.358 11.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.262 11.199 10.923 1.00 0.00 H new ATOM 1301 N ALA A 83 0.253 4.472 7.551 1.00 0.00 N ATOM 1302 CA ALA A 83 1.211 3.474 7.086 1.00 0.00 C ATOM 1303 C ALA A 83 0.605 2.562 6.018 1.00 0.00 C ATOM 1304 O ALA A 83 -0.515 2.077 6.168 1.00 0.00 O ATOM 1305 CB ALA A 83 1.709 2.652 8.268 1.00 0.00 C ATOM 0 H ALA A 83 -0.553 4.085 8.042 1.00 0.00 H new ATOM 0 HA ALA A 83 2.050 3.997 6.628 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.424 1.908 7.918 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.194 3.309 8.990 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.866 2.150 8.743 1.00 0.00 H new ATOM 1311 N ILE A 84 1.357 2.322 4.945 1.00 0.00 N ATOM 1312 CA ILE A 84 0.896 1.452 3.860 1.00 0.00 C ATOM 1313 C ILE A 84 1.183 -0.009 4.190 1.00 0.00 C ATOM 1314 O ILE A 84 2.226 -0.322 4.757 1.00 0.00 O ATOM 1315 CB ILE A 84 1.581 1.791 2.523 1.00 0.00 C ATOM 1316 CG1 ILE A 84 1.526 3.295 2.243 1.00 0.00 C ATOM 1317 CG2 ILE A 84 0.936 1.014 1.385 1.00 0.00 C ATOM 1318 CD1 ILE A 84 2.237 3.701 0.967 1.00 0.00 C ATOM 0 H ILE A 84 2.287 2.716 4.802 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.177 1.615 3.759 1.00 0.00 H new ATOM 0 HB ILE A 84 2.629 1.500 2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.483 3.607 2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.971 3.829 3.083 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.431 1.265 0.447 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.034 -0.055 1.573 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.120 1.275 1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.157 4.780 0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.288 3.420 1.031 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.778 3.195 0.118 1.00 0.00 H new ATOM 1330 N CYS A 85 0.259 -0.905 3.846 1.00 0.00 N ATOM 1331 CA CYS A 85 0.452 -2.330 4.135 1.00 0.00 C ATOM 1332 C CYS A 85 0.074 -3.225 2.949 1.00 0.00 C ATOM 1333 O CYS A 85 -1.010 -3.091 2.381 1.00 0.00 O ATOM 1334 CB CYS A 85 -0.360 -2.732 5.372 1.00 0.00 C ATOM 1335 SG CYS A 85 -0.392 -1.482 6.679 1.00 0.00 S ATOM 0 H CYS A 85 -0.617 -0.678 3.375 1.00 0.00 H new ATOM 0 HA CYS A 85 1.515 -2.477 4.327 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -1.384 -2.947 5.066 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.052 -3.656 5.779 1.00 0.00 H new ATOM 0 HG CYS A 85 -1.103 -1.916 7.677 1.00 0.00 H new ATOM 1341 N LEU A 86 0.976 -4.149 2.591 1.00 0.00 N ATOM 1342 CA LEU A 86 0.733 -5.080 1.485 1.00 0.00 C ATOM 1343 C LEU A 86 -0.001 -6.324 1.989 1.00 0.00 C ATOM 1344 O LEU A 86 0.077 -6.662 3.170 1.00 0.00 O ATOM 1345 CB LEU A 86 2.061 -5.498 0.840 1.00 0.00 C ATOM 1346 CG LEU A 86 2.264 -5.047 -0.610 1.00 0.00 C ATOM 1347 CD1 LEU A 86 3.672 -4.509 -0.809 1.00 0.00 C ATOM 1348 CD2 LEU A 86 2.002 -6.198 -1.570 1.00 0.00 C ATOM 0 H LEU A 86 1.878 -4.270 3.051 1.00 0.00 H new ATOM 0 HA LEU A 86 0.115 -4.575 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.878 -5.101 1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.136 -6.585 0.877 1.00 0.00 H new ATOM 0 HG LEU A 86 1.552 -4.249 -0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.798 -4.193 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.833 -3.657 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.396 -5.290 -0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.151 -5.858 -2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.690 -7.015 -1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.976 -6.546 -1.449 1.00 0.00 H new ATOM 1360 N PHE A 87 -0.708 -7.010 1.091 1.00 0.00 N ATOM 1361 CA PHE A 87 -1.442 -8.217 1.461 1.00 0.00 C ATOM 1362 C PHE A 87 -1.258 -9.310 0.415 1.00 0.00 C ATOM 1363 O PHE A 87 -1.449 -9.075 -0.777 1.00 0.00 O ATOM 1364 CB PHE A 87 -2.930 -7.913 1.632 1.00 0.00 C ATOM 1365 CG PHE A 87 -3.205 -6.575 2.250 1.00 0.00 C ATOM 1366 CD1 PHE A 87 -3.010 -6.371 3.606 1.00 0.00 C ATOM 1367 CD2 PHE A 87 -3.661 -5.525 1.477 1.00 0.00 C ATOM 1368 CE1 PHE A 87 -3.264 -5.139 4.178 1.00 0.00 C ATOM 1369 CE2 PHE A 87 -3.918 -4.294 2.041 1.00 0.00 C ATOM 1370 CZ PHE A 87 -3.720 -4.099 3.394 1.00 0.00 C ATOM 0 H PHE A 87 -0.787 -6.751 0.108 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.040 -8.571 2.411 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.416 -7.960 0.657 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.381 -8.689 2.251 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.656 -7.184 4.223 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.818 -5.670 0.418 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -3.106 -4.990 5.236 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.274 -3.482 1.425 1.00 0.00 H new ATOM 0 HZ PHE A 87 -3.922 -3.135 3.837 1.00 0.00 H new ATOM 1380 N PHE A 88 -0.896 -10.506 0.866 1.00 0.00 N ATOM 1381 CA PHE A 88 -0.697 -11.629 -0.038 1.00 0.00 C ATOM 1382 C PHE A 88 -0.632 -12.951 0.725 1.00 0.00 C ATOM 1383 O PHE A 88 0.197 -13.810 0.424 1.00 0.00 O ATOM 1384 CB PHE A 88 0.583 -11.428 -0.854 1.00 0.00 C ATOM 1385 CG PHE A 88 0.374 -11.572 -2.333 1.00 0.00 C ATOM 1386 CD1 PHE A 88 -0.113 -10.513 -3.080 1.00 0.00 C ATOM 1387 CD2 PHE A 88 0.661 -12.765 -2.974 1.00 0.00 C ATOM 1388 CE1 PHE A 88 -0.308 -10.640 -4.442 1.00 0.00 C ATOM 1389 CE2 PHE A 88 0.467 -12.899 -4.335 1.00 0.00 C ATOM 1390 CZ PHE A 88 -0.018 -11.835 -5.071 1.00 0.00 C ATOM 0 H PHE A 88 -0.735 -10.721 1.850 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.551 -11.672 -0.714 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.986 -10.437 -0.646 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.331 -12.151 -0.528 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.343 -9.577 -2.593 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.041 -13.600 -2.404 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.687 -9.806 -5.014 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.694 -13.835 -4.824 1.00 0.00 H new ATOM 0 HZ PHE A 88 -0.170 -11.937 -6.135 1.00 0.00 H new ATOM 1400 N GLY A 89 -1.515 -13.115 1.707 1.00 0.00 N ATOM 1401 CA GLY A 89 -1.531 -14.345 2.481 1.00 0.00 C ATOM 1402 C GLY A 89 -2.340 -14.239 3.762 1.00 0.00 C ATOM 1403 O GLY A 89 -3.508 -14.626 3.799 1.00 0.00 O ATOM 0 H GLY A 89 -2.214 -12.424 1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.940 -15.147 1.867 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.507 -14.624 2.729 1.00 0.00 H new ATOM 1407 N LYS A 90 -1.712 -13.727 4.816 1.00 0.00 N ATOM 1408 CA LYS A 90 -2.372 -13.586 6.108 1.00 0.00 C ATOM 1409 C LYS A 90 -2.195 -12.185 6.688 1.00 0.00 C ATOM 1410 O LYS A 90 -1.768 -11.257 5.999 1.00 0.00 O ATOM 1411 CB LYS A 90 -1.833 -14.627 7.100 1.00 0.00 C ATOM 1412 CG LYS A 90 -0.488 -14.261 7.715 1.00 0.00 C ATOM 1413 CD LYS A 90 -0.624 -13.939 9.195 1.00 0.00 C ATOM 1414 CE LYS A 90 0.172 -14.909 10.053 1.00 0.00 C ATOM 1415 NZ LYS A 90 0.642 -14.275 11.316 1.00 0.00 N ATOM 0 H LYS A 90 -0.745 -13.403 4.800 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.437 -13.752 5.946 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.561 -14.763 7.900 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.738 -15.585 6.589 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.211 -15.087 7.584 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.068 -13.402 7.191 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.280 -12.921 9.380 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.675 -13.977 9.481 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.445 -15.776 10.289 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.030 -15.273 9.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.181 -14.969 11.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.252 -13.463 11.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.178 -13.950 11.867 1.00 0.00 H new ATOM 1429 N THR A 91 -2.528 -12.056 7.967 1.00 0.00 N ATOM 1430 CA THR A 91 -2.419 -10.796 8.683 1.00 0.00 C ATOM 1431 C THR A 91 -2.378 -11.072 10.183 1.00 0.00 C ATOM 1432 O THR A 91 -2.384 -12.230 10.597 1.00 0.00 O ATOM 1433 CB THR A 91 -3.607 -9.890 8.340 1.00 0.00 C ATOM 1434 OG1 THR A 91 -4.462 -10.516 7.400 1.00 0.00 O ATOM 1435 CG2 THR A 91 -3.193 -8.555 7.763 1.00 0.00 C ATOM 0 H THR A 91 -2.882 -12.825 8.536 1.00 0.00 H new ATOM 0 HA THR A 91 -1.502 -10.287 8.386 1.00 0.00 H new ATOM 0 HB THR A 91 -4.120 -9.717 9.286 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.144 -11.037 7.874 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.081 -7.963 7.542 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.572 -8.024 8.484 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.627 -8.715 6.846 1.00 0.00 H new ATOM 1443 N PRO A 92 -2.347 -10.029 11.030 1.00 0.00 N ATOM 1444 CA PRO A 92 -2.319 -10.215 12.482 1.00 0.00 C ATOM 1445 C PRO A 92 -3.365 -11.227 12.944 1.00 0.00 C ATOM 1446 O PRO A 92 -3.217 -11.852 13.994 1.00 0.00 O ATOM 1447 CB PRO A 92 -2.631 -8.819 13.019 1.00 0.00 C ATOM 1448 CG PRO A 92 -2.122 -7.896 11.967 1.00 0.00 C ATOM 1449 CD PRO A 92 -2.347 -8.601 10.655 1.00 0.00 C ATOM 0 HA PRO A 92 -1.367 -10.611 12.836 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.701 -8.685 13.181 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.139 -8.642 13.975 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.651 -6.943 11.994 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -1.065 -7.678 12.117 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -3.291 -8.306 10.197 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.559 -8.374 9.937 1.00 0.00 H new ATOM 1457 N ILE A 93 -4.421 -11.388 12.144 1.00 0.00 N ATOM 1458 CA ILE A 93 -5.489 -12.329 12.463 1.00 0.00 C ATOM 1459 C ILE A 93 -6.013 -13.018 11.199 1.00 0.00 C ATOM 1460 O ILE A 93 -7.163 -12.813 10.808 1.00 0.00 O ATOM 1461 CB ILE A 93 -6.671 -11.634 13.175 1.00 0.00 C ATOM 1462 CG1 ILE A 93 -6.169 -10.597 14.183 1.00 0.00 C ATOM 1463 CG2 ILE A 93 -7.550 -12.665 13.865 1.00 0.00 C ATOM 1464 CD1 ILE A 93 -6.076 -9.197 13.616 1.00 0.00 C ATOM 0 H ILE A 93 -4.557 -10.878 11.271 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.057 -13.072 13.134 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.265 -11.114 12.423 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.836 -10.587 15.045 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.186 -10.900 14.544 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.379 -12.162 14.363 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.941 -13.363 13.125 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.961 -13.210 14.603 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.714 -8.516 14.386 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.386 -9.191 12.772 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.062 -8.874 13.281 1.00 0.00 H new ATOM 1476 N SER A 94 -5.169 -13.835 10.564 1.00 0.00 N ATOM 1477 CA SER A 94 -5.558 -14.551 9.348 1.00 0.00 C ATOM 1478 C SER A 94 -6.950 -15.165 9.486 1.00 0.00 C ATOM 1479 O SER A 94 -7.698 -15.256 8.512 1.00 0.00 O ATOM 1480 CB SER A 94 -4.542 -15.649 9.033 1.00 0.00 C ATOM 1481 OG SER A 94 -3.362 -15.494 9.803 1.00 0.00 O ATOM 0 H SER A 94 -4.214 -14.017 10.872 1.00 0.00 H new ATOM 0 HA SER A 94 -5.580 -13.830 8.531 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.984 -16.625 9.233 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.293 -15.624 7.972 1.00 0.00 H new ATOM 0 HG SER A 94 -2.684 -16.130 9.494 1.00 0.00 H new ATOM 1533 N ILE A 98 -8.568 -12.865 5.420 1.00 0.00 N ATOM 1534 CA ILE A 98 -7.483 -11.904 5.628 1.00 0.00 C ATOM 1535 C ILE A 98 -8.010 -10.600 6.214 1.00 0.00 C ATOM 1536 O ILE A 98 -8.666 -9.819 5.526 1.00 0.00 O ATOM 1537 CB ILE A 98 -6.732 -11.589 4.311 1.00 0.00 C ATOM 1538 CG1 ILE A 98 -5.948 -12.810 3.826 1.00 0.00 C ATOM 1539 CG2 ILE A 98 -5.791 -10.402 4.494 1.00 0.00 C ATOM 1540 CD1 ILE A 98 -5.424 -12.657 2.415 1.00 0.00 C ATOM 0 HA ILE A 98 -6.789 -12.368 6.329 1.00 0.00 H new ATOM 0 HB ILE A 98 -7.475 -11.331 3.557 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.111 -12.988 4.501 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -6.590 -13.690 3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.274 -10.199 3.556 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -6.366 -9.524 4.789 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.060 -10.634 5.268 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -4.877 -13.556 2.130 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.259 -12.508 1.731 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -4.757 -11.796 2.366 1.00 0.00 H new ATOM 1552 N ARG A 99 -7.697 -10.362 7.480 1.00 0.00 N ATOM 1553 CA ARG A 99 -8.117 -9.139 8.145 1.00 0.00 C ATOM 1554 C ARG A 99 -6.933 -8.182 8.250 1.00 0.00 C ATOM 1555 O ARG A 99 -6.086 -8.324 9.131 1.00 0.00 O ATOM 1556 CB ARG A 99 -8.668 -9.450 9.539 1.00 0.00 C ATOM 1557 CG ARG A 99 -9.461 -8.305 10.148 1.00 0.00 C ATOM 1558 CD ARG A 99 -10.931 -8.383 9.767 1.00 0.00 C ATOM 1559 NE ARG A 99 -11.671 -9.307 10.626 1.00 0.00 N ATOM 1560 CZ ARG A 99 -12.993 -9.456 10.587 1.00 0.00 C ATOM 1561 NH1 ARG A 99 -13.724 -8.745 9.737 1.00 0.00 N ATOM 1562 NH2 ARG A 99 -13.586 -10.318 11.401 1.00 0.00 N ATOM 0 H ARG A 99 -7.155 -10.998 8.065 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.908 -8.671 7.559 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -9.306 -10.332 9.480 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.839 -9.700 10.201 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.363 -8.330 11.233 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.047 -7.354 9.812 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.376 -7.390 9.834 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.020 -8.703 8.729 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.143 -9.870 11.293 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.273 -8.080 9.109 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.737 -8.864 9.712 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.029 -10.866 12.056 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.599 -10.433 11.372 1.00 0.00 H new ATOM 1576 N PRO A 100 -6.849 -7.197 7.339 1.00 0.00 N ATOM 1577 CA PRO A 100 -5.750 -6.226 7.328 1.00 0.00 C ATOM 1578 C PRO A 100 -5.790 -5.285 8.526 1.00 0.00 C ATOM 1579 O PRO A 100 -4.750 -4.832 9.005 1.00 0.00 O ATOM 1580 CB PRO A 100 -5.968 -5.457 6.021 1.00 0.00 C ATOM 1581 CG PRO A 100 -7.424 -5.596 5.744 1.00 0.00 C ATOM 1582 CD PRO A 100 -7.805 -6.961 6.241 1.00 0.00 C ATOM 0 HA PRO A 100 -4.776 -6.711 7.391 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.682 -4.410 6.124 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -5.369 -5.873 5.211 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -7.995 -4.820 6.254 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -7.631 -5.496 4.679 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -8.837 -6.989 6.592 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -7.714 -7.715 5.459 1.00 0.00 H new ATOM 1590 N ALA A 101 -6.994 -4.992 9.009 1.00 0.00 N ATOM 1591 CA ALA A 101 -7.163 -4.099 10.157 1.00 0.00 C ATOM 1592 C ALA A 101 -8.641 -3.843 10.434 1.00 0.00 C ATOM 1593 O ALA A 101 -9.500 -4.623 10.024 1.00 0.00 O ATOM 1594 CB ALA A 101 -6.428 -2.784 9.915 1.00 0.00 C ATOM 0 H ALA A 101 -7.866 -5.357 8.626 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.734 -4.583 11.035 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -6.561 -2.129 10.776 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.366 -2.982 9.771 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.831 -2.300 9.025 1.00 0.00 H new ATOM 1600 N SER A 102 -8.935 -2.750 11.132 1.00 0.00 N ATOM 1601 CA SER A 102 -10.311 -2.402 11.461 1.00 0.00 C ATOM 1602 C SER A 102 -10.774 -1.155 10.708 1.00 0.00 C ATOM 1603 O SER A 102 -11.948 -0.790 10.776 1.00 0.00 O ATOM 1604 CB SER A 102 -10.458 -2.184 12.971 1.00 0.00 C ATOM 1605 OG SER A 102 -9.286 -2.581 13.662 1.00 0.00 O ATOM 0 H SER A 102 -8.238 -2.091 11.480 1.00 0.00 H new ATOM 0 HA SER A 102 -10.943 -3.235 11.152 1.00 0.00 H new ATOM 0 HB2 SER A 102 -10.663 -1.132 13.171 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.312 -2.751 13.342 1.00 0.00 H new ATOM 0 HG SER A 102 -9.406 -2.430 14.623 1.00 0.00 H new ATOM 1611 N ALA A 103 -9.860 -0.493 9.997 1.00 0.00 N ATOM 1612 CA ALA A 103 -10.222 0.713 9.258 1.00 0.00 C ATOM 1613 C ALA A 103 -9.121 1.171 8.302 1.00 0.00 C ATOM 1614 O ALA A 103 -8.455 2.176 8.551 1.00 0.00 O ATOM 1615 CB ALA A 103 -10.559 1.830 10.233 1.00 0.00 C ATOM 0 H ALA A 103 -8.881 -0.767 9.918 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.093 0.470 8.649 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.829 2.728 9.678 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.397 1.525 10.860 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.693 2.038 10.861 1.00 0.00 H new ATOM 1621 N VAL A 104 -8.940 0.446 7.200 1.00 0.00 N ATOM 1622 CA VAL A 104 -7.919 0.818 6.212 1.00 0.00 C ATOM 1623 C VAL A 104 -8.523 1.032 4.823 1.00 0.00 C ATOM 1624 O VAL A 104 -9.453 0.336 4.422 1.00 0.00 O ATOM 1625 CB VAL A 104 -6.774 -0.217 6.142 1.00 0.00 C ATOM 1626 CG1 VAL A 104 -6.172 -0.433 7.520 1.00 0.00 C ATOM 1627 CG2 VAL A 104 -7.255 -1.539 5.560 1.00 0.00 C ATOM 0 H VAL A 104 -9.476 -0.390 6.967 1.00 0.00 H new ATOM 0 HA VAL A 104 -7.497 1.764 6.551 1.00 0.00 H new ATOM 0 HB VAL A 104 -6.005 0.179 5.479 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.367 -1.165 7.455 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.776 0.510 7.896 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -6.941 -0.800 8.200 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.425 -2.245 5.525 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -8.050 -1.945 6.186 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.635 -1.376 4.552 1.00 0.00 H new ATOM 1637 N ASN A 105 -7.991 2.029 4.110 1.00 0.00 N ATOM 1638 CA ASN A 105 -8.471 2.390 2.774 1.00 0.00 C ATOM 1639 C ASN A 105 -7.861 1.528 1.672 1.00 0.00 C ATOM 1640 O ASN A 105 -6.728 1.064 1.787 1.00 0.00 O ATOM 1641 CB ASN A 105 -8.134 3.857 2.484 1.00 0.00 C ATOM 1642 CG ASN A 105 -8.367 4.760 3.678 1.00 0.00 C ATOM 1643 OD1 ASN A 105 -7.624 5.715 3.903 1.00 0.00 O ATOM 1644 ND2 ASN A 105 -9.404 4.461 4.450 1.00 0.00 N ATOM 0 H ASN A 105 -7.218 2.606 4.442 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.548 2.224 2.773 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.091 3.931 2.176 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -8.739 4.205 1.647 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -9.612 5.033 5.269 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -9.993 3.659 4.225 1.00 0.00 H new ATOM 1651 N VAL A 106 -8.607 1.367 0.578 1.00 0.00 N ATOM 1652 CA VAL A 106 -8.130 0.615 -0.576 1.00 0.00 C ATOM 1653 C VAL A 106 -7.387 1.569 -1.502 1.00 0.00 C ATOM 1654 O VAL A 106 -8.002 2.331 -2.249 1.00 0.00 O ATOM 1655 CB VAL A 106 -9.269 -0.073 -1.373 1.00 0.00 C ATOM 1656 CG1 VAL A 106 -9.107 -1.586 -1.342 1.00 0.00 C ATOM 1657 CG2 VAL A 106 -10.646 0.338 -0.860 1.00 0.00 C ATOM 0 H VAL A 106 -9.546 1.750 0.470 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.480 -0.176 -0.202 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.196 0.261 -2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.916 -2.050 -1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.150 -1.859 -1.788 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.139 -1.934 -0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -11.417 -0.165 -1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -10.743 0.056 0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -10.763 1.417 -0.958 1.00 0.00 H new ATOM 1667 N ILE A 107 -6.067 1.550 -1.421 1.00 0.00 N ATOM 1668 CA ILE A 107 -5.237 2.438 -2.218 1.00 0.00 C ATOM 1669 C ILE A 107 -4.957 1.890 -3.619 1.00 0.00 C ATOM 1670 O ILE A 107 -3.999 2.302 -4.273 1.00 0.00 O ATOM 1671 CB ILE A 107 -3.907 2.718 -1.491 1.00 0.00 C ATOM 1672 CG1 ILE A 107 -3.250 3.981 -2.057 1.00 0.00 C ATOM 1673 CG2 ILE A 107 -2.975 1.515 -1.595 1.00 0.00 C ATOM 1674 CD1 ILE A 107 -1.741 3.948 -2.029 1.00 0.00 C ATOM 0 H ILE A 107 -5.544 0.925 -0.807 1.00 0.00 H new ATOM 0 HA ILE A 107 -5.796 3.365 -2.341 1.00 0.00 H new ATOM 0 HB ILE A 107 -4.113 2.888 -0.434 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.582 4.122 -3.086 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.596 4.845 -1.489 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.041 1.732 -1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.450 0.646 -1.139 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.766 1.306 -2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.349 4.876 -2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.398 3.839 -1.000 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.384 3.105 -2.621 1.00 0.00 H new ATOM 1686 N GLY A 108 -5.801 0.974 -4.084 1.00 0.00 N ATOM 1687 CA GLY A 108 -5.620 0.414 -5.412 1.00 0.00 C ATOM 1688 C GLY A 108 -5.340 -1.075 -5.400 1.00 0.00 C ATOM 1689 O GLY A 108 -6.021 -1.836 -4.713 1.00 0.00 O ATOM 0 H GLY A 108 -6.603 0.611 -3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.515 0.604 -6.004 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -4.796 0.928 -5.907 1.00 0.00 H new ATOM 1693 N ARG A 109 -4.330 -1.494 -6.164 1.00 0.00 N ATOM 1694 CA ARG A 109 -3.966 -2.903 -6.234 1.00 0.00 C ATOM 1695 C ARG A 109 -2.648 -3.104 -6.980 1.00 0.00 C ATOM 1696 O ARG A 109 -2.140 -2.190 -7.628 1.00 0.00 O ATOM 1697 CB ARG A 109 -5.074 -3.734 -6.901 1.00 0.00 C ATOM 1698 CG ARG A 109 -5.946 -2.975 -7.897 1.00 0.00 C ATOM 1699 CD ARG A 109 -6.987 -3.889 -8.525 1.00 0.00 C ATOM 1700 NE ARG A 109 -7.731 -3.221 -9.589 1.00 0.00 N ATOM 1701 CZ ARG A 109 -7.266 -3.049 -10.824 1.00 0.00 C ATOM 1702 NH1 ARG A 109 -6.059 -3.495 -11.153 1.00 0.00 N ATOM 1703 NH2 ARG A 109 -8.009 -2.433 -11.733 1.00 0.00 N ATOM 0 H ARG A 109 -3.754 -0.879 -6.739 1.00 0.00 H new ATOM 0 HA ARG A 109 -3.839 -3.249 -5.208 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -4.614 -4.578 -7.415 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -5.715 -4.147 -6.122 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -6.443 -2.147 -7.392 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -5.320 -2.543 -8.677 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -6.496 -4.775 -8.927 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -7.681 -4.230 -7.757 1.00 0.00 H new ATOM 0 HE ARG A 109 -8.662 -2.865 -9.373 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -5.484 -3.972 -10.458 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -5.707 -3.361 -12.101 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -8.938 -2.091 -11.486 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -7.652 -2.301 -12.679 1.00 0.00 H new ATOM 1717 N ILE A 110 -2.111 -4.319 -6.883 1.00 0.00 N ATOM 1718 CA ILE A 110 -0.856 -4.666 -7.546 1.00 0.00 C ATOM 1719 C ILE A 110 -1.127 -5.391 -8.862 1.00 0.00 C ATOM 1720 O ILE A 110 -1.673 -6.494 -8.871 1.00 0.00 O ATOM 1721 CB ILE A 110 0.021 -5.563 -6.644 1.00 0.00 C ATOM 1722 CG1 ILE A 110 0.317 -4.858 -5.315 1.00 0.00 C ATOM 1723 CG2 ILE A 110 1.319 -5.934 -7.352 1.00 0.00 C ATOM 1724 CD1 ILE A 110 -0.143 -5.626 -4.091 1.00 0.00 C ATOM 0 H ILE A 110 -2.528 -5.082 -6.349 1.00 0.00 H new ATOM 0 HA ILE A 110 -0.323 -3.736 -7.746 1.00 0.00 H new ATOM 0 HB ILE A 110 -0.528 -6.481 -6.435 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.390 -4.684 -5.239 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -0.165 -3.880 -5.319 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.922 -6.566 -6.699 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.091 -6.475 -8.271 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.874 -5.027 -7.593 1.00 0.00 H new ATOM 0 HD11 ILE A 110 0.103 -5.060 -3.193 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.221 -5.777 -4.140 1.00 0.00 H new ATOM 0 HD13 ILE A 110 0.358 -6.594 -4.059 1.00 0.00 H new ATOM 1736 N VAL A 111 -0.745 -4.768 -9.973 1.00 0.00 N ATOM 1737 CA VAL A 111 -0.956 -5.368 -11.290 1.00 0.00 C ATOM 1738 C VAL A 111 0.319 -6.028 -11.816 1.00 0.00 C ATOM 1739 O VAL A 111 0.517 -7.232 -11.643 1.00 0.00 O ATOM 1740 CB VAL A 111 -1.471 -4.342 -12.331 1.00 0.00 C ATOM 1741 CG1 VAL A 111 -2.988 -4.396 -12.427 1.00 0.00 C ATOM 1742 CG2 VAL A 111 -1.005 -2.929 -11.999 1.00 0.00 C ATOM 0 H VAL A 111 -0.291 -3.855 -9.990 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.724 -6.130 -11.153 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.050 -4.611 -13.300 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.332 -3.669 -13.163 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.298 -5.395 -12.732 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.423 -4.162 -11.455 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.384 -2.235 -12.749 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.382 -2.643 -11.017 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.085 -2.897 -11.993 1.00 0.00 H new ATOM 1816 N LEU A 117 5.699 -9.821 -2.785 1.00 0.00 N ATOM 1817 CA LEU A 117 6.534 -9.054 -1.865 1.00 0.00 C ATOM 1818 C LEU A 117 6.541 -9.682 -0.474 1.00 0.00 C ATOM 1819 O LEU A 117 7.534 -9.602 0.248 1.00 0.00 O ATOM 1820 CB LEU A 117 6.043 -7.603 -1.782 1.00 0.00 C ATOM 1821 CG LEU A 117 6.812 -6.708 -0.800 1.00 0.00 C ATOM 1822 CD1 LEU A 117 7.025 -5.316 -1.375 1.00 0.00 C ATOM 1823 CD2 LEU A 117 6.088 -6.625 0.538 1.00 0.00 C ATOM 0 HA LEU A 117 7.554 -9.064 -2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.102 -7.159 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.991 -7.608 -1.497 1.00 0.00 H new ATOM 0 HG LEU A 117 7.790 -7.160 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.572 -4.705 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 117 7.597 -5.388 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 117 6.059 -4.856 -1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 117 6.651 -5.986 1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.093 -6.207 0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 117 6.001 -7.623 0.967 1.00 0.00 H new ATOM 1835 N LYS A 118 5.424 -10.306 -0.106 1.00 0.00 N ATOM 1836 CA LYS A 118 5.293 -10.953 1.203 1.00 0.00 C ATOM 1837 C LYS A 118 6.549 -11.746 1.585 1.00 0.00 C ATOM 1838 O LYS A 118 6.811 -11.969 2.767 1.00 0.00 O ATOM 1839 CB LYS A 118 4.070 -11.881 1.233 1.00 0.00 C ATOM 1840 CG LYS A 118 3.959 -12.804 0.029 1.00 0.00 C ATOM 1841 CD LYS A 118 4.750 -14.089 0.231 1.00 0.00 C ATOM 1842 CE LYS A 118 4.147 -14.946 1.332 1.00 0.00 C ATOM 1843 NZ LYS A 118 4.894 -14.814 2.614 1.00 0.00 N ATOM 0 H LYS A 118 4.594 -10.379 -0.695 1.00 0.00 H new ATOM 0 HA LYS A 118 5.162 -10.156 1.935 1.00 0.00 H new ATOM 0 HB2 LYS A 118 4.109 -12.486 2.139 1.00 0.00 H new ATOM 0 HB3 LYS A 118 3.168 -11.273 1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 118 2.911 -13.046 -0.149 1.00 0.00 H new ATOM 0 HG3 LYS A 118 4.323 -12.288 -0.860 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.772 -14.654 -0.701 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.783 -13.846 0.481 1.00 0.00 H new ATOM 0 HE2 LYS A 118 3.107 -14.658 1.487 1.00 0.00 H new ATOM 0 HE3 LYS A 118 4.146 -15.990 1.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 5.319 -15.730 2.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 5.644 -14.101 2.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 4.241 -14.519 3.368 1.00 0.00 H new ATOM 1857 N GLY A 119 7.325 -12.171 0.586 1.00 0.00 N ATOM 1858 CA GLY A 119 8.535 -12.932 0.859 1.00 0.00 C ATOM 1859 C GLY A 119 9.753 -12.050 1.084 1.00 0.00 C ATOM 1860 O GLY A 119 10.877 -12.440 0.768 1.00 0.00 O ATOM 0 H GLY A 119 7.138 -12.002 -0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.376 -13.554 1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.730 -13.606 0.025 1.00 0.00 H new ATOM 1864 N VAL A 120 9.529 -10.861 1.633 1.00 0.00 N ATOM 1865 CA VAL A 120 10.612 -9.918 1.908 1.00 0.00 C ATOM 1866 C VAL A 120 11.425 -10.347 3.129 1.00 0.00 C ATOM 1867 O VAL A 120 10.912 -11.033 4.013 1.00 0.00 O ATOM 1868 CB VAL A 120 10.078 -8.493 2.150 1.00 0.00 C ATOM 1869 CG1 VAL A 120 9.595 -7.866 0.852 1.00 0.00 C ATOM 1870 CG2 VAL A 120 8.964 -8.503 3.191 1.00 0.00 C ATOM 0 H VAL A 120 8.603 -10.524 1.898 1.00 0.00 H new ATOM 0 HA VAL A 120 11.251 -9.917 1.025 1.00 0.00 H new ATOM 0 HB VAL A 120 10.898 -7.886 2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 120 9.223 -6.861 1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 120 10.422 -7.814 0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 120 8.794 -8.473 0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 120 8.602 -7.487 3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 120 8.145 -9.131 2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.348 -8.899 4.131 1.00 0.00 H new ATOM 1880 N ALA A 121 12.691 -9.934 3.183 1.00 0.00 N ATOM 1881 CA ALA A 121 13.553 -10.272 4.311 1.00 0.00 C ATOM 1882 C ALA A 121 13.254 -9.357 5.499 1.00 0.00 C ATOM 1883 O ALA A 121 12.900 -8.193 5.317 1.00 0.00 O ATOM 1884 CB ALA A 121 15.020 -10.167 3.912 1.00 0.00 C ATOM 0 H ALA A 121 13.139 -9.368 2.462 1.00 0.00 H new ATOM 0 HA ALA A 121 13.351 -11.302 4.606 1.00 0.00 H new ATOM 0 HB1 ALA A 121 15.648 -10.422 4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 121 15.224 -10.855 3.092 1.00 0.00 H new ATOM 0 HB3 ALA A 121 15.238 -9.148 3.593 1.00 0.00 H new ATOM 1890 N ASP A 122 13.385 -9.887 6.715 1.00 0.00 N ATOM 1891 CA ASP A 122 13.110 -9.105 7.916 1.00 0.00 C ATOM 1892 C ASP A 122 13.967 -7.844 7.976 1.00 0.00 C ATOM 1893 O ASP A 122 15.182 -7.910 8.156 1.00 0.00 O ATOM 1894 CB ASP A 122 13.328 -9.947 9.172 1.00 0.00 C ATOM 1895 CG ASP A 122 14.787 -10.299 9.398 1.00 0.00 C ATOM 1896 OD1 ASP A 122 15.477 -10.631 8.412 1.00 0.00 O ATOM 1897 OD2 ASP A 122 15.237 -10.241 10.562 1.00 0.00 O ATOM 0 H ASP A 122 13.678 -10.848 6.892 1.00 0.00 H new ATOM 0 HA ASP A 122 12.065 -8.800 7.871 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.952 -9.403 10.038 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.745 -10.865 9.094 1.00 0.00 H new ATOM 1902 N GLY A 123 13.315 -6.694 7.836 1.00 0.00 N ATOM 1903 CA GLY A 123 14.017 -5.426 7.894 1.00 0.00 C ATOM 1904 C GLY A 123 14.838 -5.134 6.651 1.00 0.00 C ATOM 1905 O GLY A 123 15.963 -5.614 6.516 1.00 0.00 O ATOM 0 H GLY A 123 12.309 -6.618 7.683 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.293 -4.624 8.039 1.00 0.00 H new ATOM 0 HA3 GLY A 123 14.674 -5.422 8.764 1.00 0.00 H new ATOM 1909 N GLU A 124 14.281 -4.327 5.754 1.00 0.00 N ATOM 1910 CA GLU A 124 14.980 -3.950 4.527 1.00 0.00 C ATOM 1911 C GLU A 124 14.507 -2.586 4.030 1.00 0.00 C ATOM 1912 O GLU A 124 13.365 -2.193 4.258 1.00 0.00 O ATOM 1913 CB GLU A 124 14.808 -5.013 3.433 1.00 0.00 C ATOM 1914 CG GLU A 124 13.403 -5.578 3.311 1.00 0.00 C ATOM 1915 CD GLU A 124 13.216 -6.382 2.040 1.00 0.00 C ATOM 1916 OE1 GLU A 124 13.237 -5.778 0.946 1.00 0.00 O ATOM 1917 OE2 GLU A 124 13.054 -7.617 2.136 1.00 0.00 O ATOM 0 H GLU A 124 13.350 -3.921 5.852 1.00 0.00 H new ATOM 0 HA GLU A 124 16.042 -3.883 4.762 1.00 0.00 H new ATOM 0 HB2 GLU A 124 15.094 -4.579 2.475 1.00 0.00 H new ATOM 0 HB3 GLU A 124 15.499 -5.833 3.630 1.00 0.00 H new ATOM 0 HG2 GLU A 124 13.192 -6.211 4.173 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.682 -4.761 3.331 1.00 0.00 H new ATOM 1924 N SER A 125 15.405 -1.860 3.367 1.00 0.00 N ATOM 1925 CA SER A 125 15.094 -0.526 2.851 1.00 0.00 C ATOM 1926 C SER A 125 13.803 -0.508 2.034 1.00 0.00 C ATOM 1927 O SER A 125 13.279 -1.551 1.644 1.00 0.00 O ATOM 1928 CB SER A 125 16.252 -0.012 1.994 1.00 0.00 C ATOM 1929 OG SER A 125 16.457 1.376 2.192 1.00 0.00 O ATOM 0 H SER A 125 16.356 -2.173 3.174 1.00 0.00 H new ATOM 0 HA SER A 125 14.950 0.127 3.712 1.00 0.00 H new ATOM 0 HB2 SER A 125 17.163 -0.556 2.244 1.00 0.00 H new ATOM 0 HB3 SER A 125 16.043 -0.205 0.942 1.00 0.00 H new ATOM 0 HG SER A 125 17.204 1.679 1.634 1.00 0.00 H new ATOM 1935 N VAL A 126 13.310 0.701 1.779 1.00 0.00 N ATOM 1936 CA VAL A 126 12.088 0.911 1.006 1.00 0.00 C ATOM 1937 C VAL A 126 12.069 2.326 0.425 1.00 0.00 C ATOM 1938 O VAL A 126 12.280 3.299 1.149 1.00 0.00 O ATOM 1939 CB VAL A 126 10.822 0.694 1.867 1.00 0.00 C ATOM 1940 CG1 VAL A 126 9.561 0.854 1.032 1.00 0.00 C ATOM 1941 CG2 VAL A 126 10.850 -0.672 2.527 1.00 0.00 C ATOM 0 H VAL A 126 13.747 1.564 2.103 1.00 0.00 H new ATOM 0 HA VAL A 126 12.082 0.178 0.199 1.00 0.00 H new ATOM 0 HB VAL A 126 10.813 1.455 2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 126 8.685 0.696 1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 126 9.529 1.859 0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 126 9.564 0.122 0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 126 9.950 -0.804 3.128 1.00 0.00 H new ATOM 0 HG22 VAL A 126 10.891 -1.446 1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 126 11.729 -0.749 3.167 1.00 0.00 H new ATOM 1951 N VAL A 127 11.831 2.441 -0.881 1.00 0.00 N ATOM 1952 CA VAL A 127 11.806 3.749 -1.531 1.00 0.00 C ATOM 1953 C VAL A 127 10.543 3.936 -2.369 1.00 0.00 C ATOM 1954 O VAL A 127 10.384 3.317 -3.422 1.00 0.00 O ATOM 1955 CB VAL A 127 13.045 3.957 -2.431 1.00 0.00 C ATOM 1956 CG1 VAL A 127 14.319 3.970 -1.597 1.00 0.00 C ATOM 1957 CG2 VAL A 127 13.111 2.884 -3.508 1.00 0.00 C ATOM 0 H VAL A 127 11.655 1.653 -1.504 1.00 0.00 H new ATOM 0 HA VAL A 127 11.816 4.491 -0.733 1.00 0.00 H new ATOM 0 HB VAL A 127 12.954 4.925 -2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 127 15.180 4.118 -2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 127 14.270 4.782 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 127 14.420 3.020 -1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 127 13.990 3.048 -4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 127 13.176 1.902 -3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 127 12.214 2.933 -4.126 1.00 0.00 H new ATOM 1967 N VAL A 128 9.651 4.802 -1.894 1.00 0.00 N ATOM 1968 CA VAL A 128 8.399 5.086 -2.596 1.00 0.00 C ATOM 1969 C VAL A 128 8.627 6.146 -3.679 1.00 0.00 C ATOM 1970 O VAL A 128 9.199 7.200 -3.403 1.00 0.00 O ATOM 1971 CB VAL A 128 7.307 5.606 -1.628 1.00 0.00 C ATOM 1972 CG1 VAL A 128 5.931 5.071 -2.001 1.00 0.00 C ATOM 1973 CG2 VAL A 128 7.631 5.249 -0.183 1.00 0.00 C ATOM 0 H VAL A 128 9.771 5.321 -1.024 1.00 0.00 H new ATOM 0 HA VAL A 128 8.063 4.150 -3.043 1.00 0.00 H new ATOM 0 HB VAL A 128 7.291 6.692 -1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.189 5.456 -1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 128 5.678 5.392 -3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 128 5.940 3.982 -1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 128 6.845 5.628 0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 128 7.696 4.166 -0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 128 8.584 5.697 0.098 1.00 0.00 H new ATOM 1983 N GLU A 129 8.184 5.874 -4.908 1.00 0.00 N ATOM 1984 CA GLU A 129 8.358 6.824 -6.002 1.00 0.00 C ATOM 1985 C GLU A 129 7.289 6.632 -7.080 1.00 0.00 C ATOM 1986 O GLU A 129 7.090 5.523 -7.575 1.00 0.00 O ATOM 1987 CB GLU A 129 9.750 6.661 -6.619 1.00 0.00 C ATOM 1988 CG GLU A 129 10.088 5.226 -6.984 1.00 0.00 C ATOM 1989 CD GLU A 129 11.543 5.053 -7.376 1.00 0.00 C ATOM 1990 OE1 GLU A 129 11.984 5.724 -8.334 1.00 0.00 O ATOM 1991 OE2 GLU A 129 12.242 4.246 -6.728 1.00 0.00 O ATOM 0 H GLU A 129 7.706 5.011 -5.167 1.00 0.00 H new ATOM 0 HA GLU A 129 8.254 7.830 -5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 129 9.817 7.280 -7.514 1.00 0.00 H new ATOM 0 HB3 GLU A 129 10.496 7.034 -5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.864 4.577 -6.138 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.452 4.905 -7.809 1.00 0.00 H new ATOM 1998 N ARG A 130 6.609 7.718 -7.447 1.00 0.00 N ATOM 1999 CA ARG A 130 5.570 7.662 -8.471 1.00 0.00 C ATOM 2000 C ARG A 130 6.184 7.487 -9.856 1.00 0.00 C ATOM 2001 O ARG A 130 6.447 8.465 -10.558 1.00 0.00 O ATOM 2002 CB ARG A 130 4.722 8.936 -8.431 1.00 0.00 C ATOM 2003 CG ARG A 130 3.646 8.997 -9.503 1.00 0.00 C ATOM 2004 CD ARG A 130 4.090 9.828 -10.698 1.00 0.00 C ATOM 2005 NE ARG A 130 3.184 10.946 -10.952 1.00 0.00 N ATOM 2006 CZ ARG A 130 2.014 10.826 -11.577 1.00 0.00 C ATOM 2007 NH1 ARG A 130 1.605 9.640 -12.011 1.00 0.00 N ATOM 2008 NH2 ARG A 130 1.253 11.893 -11.768 1.00 0.00 N ATOM 0 H ARG A 130 6.760 8.645 -7.050 1.00 0.00 H new ATOM 0 HA ARG A 130 4.932 6.802 -8.266 1.00 0.00 H new ATOM 0 HB2 ARG A 130 4.250 9.015 -7.452 1.00 0.00 H new ATOM 0 HB3 ARG A 130 5.378 9.800 -8.539 1.00 0.00 H new ATOM 0 HG2 ARG A 130 3.402 7.987 -9.832 1.00 0.00 H new ATOM 0 HG3 ARG A 130 2.736 9.423 -9.081 1.00 0.00 H new ATOM 0 HD2 ARG A 130 5.096 10.209 -10.521 1.00 0.00 H new ATOM 0 HD3 ARG A 130 4.140 9.193 -11.583 1.00 0.00 H new ATOM 0 HE ARG A 130 3.464 11.873 -10.632 1.00 0.00 H new ATOM 0 HH11 ARG A 130 2.188 8.815 -11.866 1.00 0.00 H new ATOM 0 HH12 ARG A 130 0.708 9.553 -12.489 1.00 0.00 H new ATOM 0 HH21 ARG A 130 1.563 12.806 -11.436 1.00 0.00 H new ATOM 0 HH22 ARG A 130 0.357 11.801 -12.247 1.00 0.00 H new ATOM 2022 N ALA A 131 6.408 6.234 -10.245 1.00 0.00 N ATOM 2023 CA ALA A 131 6.989 5.920 -11.550 1.00 0.00 C ATOM 2024 C ALA A 131 8.146 6.855 -11.894 1.00 0.00 C ATOM 2025 O ALA A 131 8.435 7.020 -13.098 1.00 0.00 O ATOM 2026 CB ALA A 131 5.919 5.982 -12.627 1.00 0.00 C ATOM 2027 OXT ALA A 131 8.753 7.415 -10.956 1.00 0.00 O ATOM 0 H ALA A 131 6.195 5.416 -9.673 1.00 0.00 H new ATOM 0 HA ALA A 131 7.390 4.908 -11.501 1.00 0.00 H new ATOM 0 HB1 ALA A 131 6.362 5.747 -13.594 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.134 5.260 -12.402 1.00 0.00 H new ATOM 0 HB3 ALA A 131 5.492 6.984 -12.658 1.00 0.00 H new