USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 588 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 Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.505 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0779 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1 K(o=-1,f=-1.9!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -0.0485 F(o=-0.55,f=-0.048) USER MOD Single : A 77 HIS : no HD1:sc= -0.557 X(o=-0.56,f=-0.093) USER MOD Single : A 80 LYS NZ :NH3+ -177:sc= 0.26 (180deg=0.257) USER MOD Single : A 81 HIS : no HD1:sc= -2.02! C(o=-2!,f=-4.4!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot -110:sc= -0.0214 USER MOD Single : A 91 SER OG : rot -110:sc= 0.805 USER MOD Single : A 92 CYS SG : rot -170:sc= -3.3! USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -153:sc= -1.21 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.124 K(o=-0.12,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -18.124 -0.409 6.548 1.00 0.00 N ATOM 81 CA ALA A 9 -18.189 -1.704 5.882 1.00 0.00 C ATOM 82 C ALA A 9 -17.529 -2.789 6.726 1.00 0.00 C ATOM 83 O ALA A 9 -16.930 -2.503 7.763 1.00 0.00 O ATOM 84 CB ALA A 9 -17.532 -1.627 4.511 1.00 0.00 C ATOM 0 HA ALA A 9 -19.239 -1.967 5.755 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -17.588 -2.601 4.025 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -18.050 -0.887 3.901 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.487 -1.337 4.624 1.00 0.00 H new ATOM 90 N ARG A 10 -17.644 -4.034 6.276 1.00 0.00 N ATOM 91 CA ARG A 10 -17.060 -5.162 6.992 1.00 0.00 C ATOM 92 C ARG A 10 -15.913 -5.777 6.195 1.00 0.00 C ATOM 93 O ARG A 10 -15.896 -5.717 4.965 1.00 0.00 O ATOM 94 CB ARG A 10 -18.127 -6.223 7.272 1.00 0.00 C ATOM 95 CG ARG A 10 -18.934 -5.957 8.532 1.00 0.00 C ATOM 96 CD ARG A 10 -18.278 -6.579 9.755 1.00 0.00 C ATOM 97 NE ARG A 10 -18.739 -7.945 9.988 1.00 0.00 N ATOM 98 CZ ARG A 10 -18.158 -8.781 10.842 1.00 0.00 C ATOM 99 NH1 ARG A 10 -17.100 -8.392 11.540 1.00 0.00 N ATOM 100 NH2 ARG A 10 -18.635 -10.009 10.999 1.00 0.00 N ATOM 0 H ARG A 10 -18.136 -4.287 5.419 1.00 0.00 H new ATOM 0 HA ARG A 10 -16.665 -4.794 7.939 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -18.806 -6.277 6.421 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -17.645 -7.197 7.358 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -19.036 -4.882 8.680 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -19.940 -6.360 8.413 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -17.196 -6.579 9.625 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -18.494 -5.969 10.632 1.00 0.00 H new ATOM 0 HE ARG A 10 -19.551 -8.275 9.467 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -16.730 -7.449 11.422 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.656 -9.036 12.195 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -19.449 -10.312 10.464 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -18.188 -10.650 11.655 1.00 0.00 H new ATOM 114 N LEU A 11 -14.957 -6.366 6.904 1.00 0.00 N ATOM 115 CA LEU A 11 -13.805 -6.991 6.263 1.00 0.00 C ATOM 116 C LEU A 11 -14.147 -8.397 5.780 1.00 0.00 C ATOM 117 O LEU A 11 -14.465 -9.279 6.578 1.00 0.00 O ATOM 118 CB LEU A 11 -12.624 -7.047 7.234 1.00 0.00 C ATOM 119 CG LEU A 11 -11.322 -7.621 6.675 1.00 0.00 C ATOM 120 CD1 LEU A 11 -10.976 -6.964 5.348 1.00 0.00 C ATOM 121 CD2 LEU A 11 -10.188 -7.440 7.674 1.00 0.00 C ATOM 0 H LEU A 11 -14.956 -6.424 7.922 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.529 -6.386 5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.427 -6.037 7.594 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.918 -7.642 8.099 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.461 -8.688 6.503 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.046 -7.385 4.965 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.778 -7.145 4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.855 -5.891 5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.269 -7.854 7.260 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.048 -6.378 7.877 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.434 -7.958 8.601 1.00 0.00 H new ATOM 133 N VAL A 12 -14.078 -8.600 4.468 1.00 0.00 N ATOM 134 CA VAL A 12 -14.377 -9.899 3.878 1.00 0.00 C ATOM 135 C VAL A 12 -13.106 -10.713 3.669 1.00 0.00 C ATOM 136 O VAL A 12 -13.137 -11.944 3.672 1.00 0.00 O ATOM 137 CB VAL A 12 -15.106 -9.749 2.529 1.00 0.00 C ATOM 138 CG1 VAL A 12 -15.310 -11.108 1.878 1.00 0.00 C ATOM 139 CG2 VAL A 12 -16.435 -9.033 2.719 1.00 0.00 C ATOM 0 H VAL A 12 -13.817 -7.881 3.793 1.00 0.00 H new ATOM 0 HA VAL A 12 -15.029 -10.422 4.578 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.486 -9.146 1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.826 -10.982 0.926 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.342 -11.578 1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -15.908 -11.740 2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.937 -8.936 1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -17.064 -9.607 3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -16.258 -8.042 3.138 1.00 0.00 H new ATOM 149 N ALA A 13 -11.988 -10.018 3.487 1.00 0.00 N ATOM 150 CA ALA A 13 -10.704 -10.677 3.278 1.00 0.00 C ATOM 151 C ALA A 13 -9.546 -9.727 3.566 1.00 0.00 C ATOM 152 O ALA A 13 -9.361 -8.730 2.869 1.00 0.00 O ATOM 153 CB ALA A 13 -10.610 -11.211 1.857 1.00 0.00 C ATOM 0 H ALA A 13 -11.945 -8.999 3.480 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.635 -11.513 3.974 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.646 -11.700 1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.411 -11.930 1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.705 -10.386 1.151 1.00 0.00 H new ATOM 159 N GLY A 14 -8.770 -10.042 4.598 1.00 0.00 N ATOM 160 CA GLY A 14 -7.641 -9.206 4.959 1.00 0.00 C ATOM 161 C GLY A 14 -6.460 -9.391 4.027 1.00 0.00 C ATOM 162 O GLY A 14 -6.411 -10.352 3.258 1.00 0.00 O ATOM 0 H GLY A 14 -8.903 -10.861 5.191 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.949 -8.160 4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.334 -9.436 5.979 1.00 0.00 H new ATOM 166 N LEU A 15 -5.506 -8.469 4.093 1.00 0.00 N ATOM 167 CA LEU A 15 -4.319 -8.534 3.247 1.00 0.00 C ATOM 168 C LEU A 15 -3.415 -9.689 3.665 1.00 0.00 C ATOM 169 O LEU A 15 -3.745 -10.450 4.574 1.00 0.00 O ATOM 170 CB LEU A 15 -3.546 -7.216 3.316 1.00 0.00 C ATOM 171 CG LEU A 15 -4.343 -5.953 2.988 1.00 0.00 C ATOM 172 CD1 LEU A 15 -5.056 -5.434 4.227 1.00 0.00 C ATOM 173 CD2 LEU A 15 -3.430 -4.882 2.407 1.00 0.00 C ATOM 0 H LEU A 15 -5.531 -7.668 4.723 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.644 -8.704 2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.134 -7.111 4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.701 -7.277 2.630 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.095 -6.205 2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.618 -4.535 3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.740 -6.197 4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.322 -5.198 4.997 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.014 -3.990 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.655 -4.633 3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.967 -5.255 1.494 1.00 0.00 H new ATOM 185 N GLU A 16 -2.273 -9.813 2.995 1.00 0.00 N ATOM 186 CA GLU A 16 -1.321 -10.875 3.298 1.00 0.00 C ATOM 187 C GLU A 16 0.114 -10.383 3.131 1.00 0.00 C ATOM 188 O GLU A 16 0.434 -9.687 2.168 1.00 0.00 O ATOM 189 CB GLU A 16 -1.566 -12.084 2.393 1.00 0.00 C ATOM 190 CG GLU A 16 -1.461 -11.766 0.911 1.00 0.00 C ATOM 191 CD GLU A 16 -1.584 -13.001 0.039 1.00 0.00 C ATOM 192 OE1 GLU A 16 -2.723 -13.352 -0.334 1.00 0.00 O ATOM 193 OE2 GLU A 16 -0.542 -13.615 -0.269 1.00 0.00 O ATOM 0 H GLU A 16 -1.985 -9.191 2.239 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.466 -11.173 4.336 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.846 -12.864 2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.557 -12.487 2.600 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.241 -11.055 0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.505 -11.281 0.714 1.00 0.00 H new ATOM 200 N ASP A 17 0.972 -10.750 4.076 1.00 0.00 N ATOM 201 CA ASP A 17 2.373 -10.348 4.035 1.00 0.00 C ATOM 202 C ASP A 17 2.999 -10.697 2.688 1.00 0.00 C ATOM 203 O ASP A 17 2.588 -11.652 2.030 1.00 0.00 O ATOM 204 CB ASP A 17 3.153 -11.022 5.164 1.00 0.00 C ATOM 205 CG ASP A 17 4.607 -11.259 4.803 1.00 0.00 C ATOM 206 OD1 ASP A 17 4.865 -12.030 3.854 1.00 0.00 O ATOM 207 OD2 ASP A 17 5.486 -10.673 5.468 1.00 0.00 O ATOM 0 H ASP A 17 0.722 -11.325 4.880 1.00 0.00 H new ATOM 0 HA ASP A 17 2.419 -9.267 4.168 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.100 -10.402 6.059 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.683 -11.974 5.408 1.00 0.00 H new ATOM 212 N VAL A 18 3.996 -9.915 2.284 1.00 0.00 N ATOM 213 CA VAL A 18 4.679 -10.142 1.016 1.00 0.00 C ATOM 214 C VAL A 18 6.145 -9.733 1.101 1.00 0.00 C ATOM 215 O VAL A 18 6.499 -8.805 1.828 1.00 0.00 O ATOM 216 CB VAL A 18 4.006 -9.364 -0.131 1.00 0.00 C ATOM 217 CG1 VAL A 18 4.766 -9.567 -1.432 1.00 0.00 C ATOM 218 CG2 VAL A 18 2.552 -9.787 -0.280 1.00 0.00 C ATOM 0 H VAL A 18 4.348 -9.119 2.816 1.00 0.00 H new ATOM 0 HA VAL A 18 4.614 -11.210 0.808 1.00 0.00 H new ATOM 0 HB VAL A 18 4.028 -8.302 0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.276 -9.010 -2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.789 -9.210 -1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.779 -10.627 -1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.092 -9.228 -1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.504 -10.854 -0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.017 -9.583 0.648 1.00 0.00 H new ATOM 228 N GLN A 19 6.993 -10.432 0.353 1.00 0.00 N ATOM 229 CA GLN A 19 8.421 -10.141 0.344 1.00 0.00 C ATOM 230 C GLN A 19 8.996 -10.279 -1.062 1.00 0.00 C ATOM 231 O GLN A 19 8.789 -11.290 -1.732 1.00 0.00 O ATOM 232 CB GLN A 19 9.159 -11.076 1.304 1.00 0.00 C ATOM 233 CG GLN A 19 9.509 -12.423 0.692 1.00 0.00 C ATOM 234 CD GLN A 19 9.872 -13.461 1.735 1.00 0.00 C ATOM 235 OE1 GLN A 19 9.044 -14.286 2.123 1.00 0.00 O ATOM 236 NE2 GLN A 19 11.117 -13.427 2.196 1.00 0.00 N ATOM 0 H GLN A 19 6.716 -11.203 -0.254 1.00 0.00 H new ATOM 0 HA GLN A 19 8.559 -9.111 0.673 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.075 -10.590 1.639 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.542 -11.237 2.188 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.663 -12.782 0.106 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.344 -12.299 0.003 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.771 -12.726 1.847 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.419 -14.102 2.899 1.00 0.00 H new ATOM 245 N VAL A 20 9.720 -9.255 -1.503 1.00 0.00 N ATOM 246 CA VAL A 20 10.326 -9.262 -2.829 1.00 0.00 C ATOM 247 C VAL A 20 11.732 -8.675 -2.794 1.00 0.00 C ATOM 248 O VAL A 20 12.058 -7.868 -1.923 1.00 0.00 O ATOM 249 CB VAL A 20 9.476 -8.467 -3.839 1.00 0.00 C ATOM 250 CG1 VAL A 20 8.086 -9.074 -3.961 1.00 0.00 C ATOM 251 CG2 VAL A 20 9.393 -7.004 -3.431 1.00 0.00 C ATOM 0 H VAL A 20 9.901 -8.410 -0.961 1.00 0.00 H new ATOM 0 HA VAL A 20 10.377 -10.303 -3.147 1.00 0.00 H new ATOM 0 HB VAL A 20 9.958 -8.521 -4.815 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.500 -8.500 -4.678 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.168 -10.106 -4.303 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.593 -9.052 -2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.789 -6.458 -4.156 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.935 -6.927 -2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.396 -6.578 -3.400 1.00 0.00 H new ATOM 261 N TYR A 21 12.563 -9.086 -3.746 1.00 0.00 N ATOM 262 CA TYR A 21 13.936 -8.603 -3.823 1.00 0.00 C ATOM 263 C TYR A 21 13.975 -7.136 -4.240 1.00 0.00 C ATOM 264 O TYR A 21 13.001 -6.604 -4.773 1.00 0.00 O ATOM 265 CB TYR A 21 14.741 -9.447 -4.812 1.00 0.00 C ATOM 266 CG TYR A 21 15.290 -10.723 -4.213 1.00 0.00 C ATOM 267 CD1 TYR A 21 14.438 -11.713 -3.739 1.00 0.00 C ATOM 268 CD2 TYR A 21 16.659 -10.937 -4.120 1.00 0.00 C ATOM 269 CE1 TYR A 21 14.935 -12.879 -3.190 1.00 0.00 C ATOM 270 CE2 TYR A 21 17.165 -12.101 -3.574 1.00 0.00 C ATOM 271 CZ TYR A 21 16.299 -13.069 -3.110 1.00 0.00 C ATOM 272 OH TYR A 21 16.798 -14.229 -2.564 1.00 0.00 O ATOM 0 H TYR A 21 12.309 -9.753 -4.475 1.00 0.00 H new ATOM 0 HA TYR A 21 14.382 -8.692 -2.832 1.00 0.00 H new ATOM 0 HB2 TYR A 21 14.107 -9.698 -5.662 1.00 0.00 H new ATOM 0 HB3 TYR A 21 15.568 -8.851 -5.196 1.00 0.00 H new ATOM 0 HD1 TYR A 21 13.370 -11.568 -3.801 1.00 0.00 H new ATOM 0 HD2 TYR A 21 17.340 -10.180 -4.481 1.00 0.00 H new ATOM 0 HE1 TYR A 21 14.259 -13.638 -2.825 1.00 0.00 H new ATOM 0 HE2 TYR A 21 18.233 -12.252 -3.511 1.00 0.00 H new ATOM 0 HH TYR A 21 17.778 -14.205 -2.584 1.00 0.00 H new ATOM 282 N ASP A 22 15.108 -6.488 -3.994 1.00 0.00 N ATOM 283 CA ASP A 22 15.277 -5.082 -4.346 1.00 0.00 C ATOM 284 C ASP A 22 14.936 -4.844 -5.813 1.00 0.00 C ATOM 285 O ASP A 22 15.221 -5.680 -6.671 1.00 0.00 O ATOM 286 CB ASP A 22 16.711 -4.633 -4.062 1.00 0.00 C ATOM 287 CG ASP A 22 17.685 -5.100 -5.126 1.00 0.00 C ATOM 288 OD1 ASP A 22 17.570 -6.263 -5.565 1.00 0.00 O ATOM 289 OD2 ASP A 22 18.563 -4.303 -5.518 1.00 0.00 O ATOM 0 H ASP A 22 15.923 -6.913 -3.552 1.00 0.00 H new ATOM 0 HA ASP A 22 14.593 -4.494 -3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 22 16.742 -3.545 -3.997 1.00 0.00 H new ATOM 0 HB3 ASP A 22 17.024 -5.019 -3.092 1.00 0.00 H new ATOM 294 N GLY A 23 14.324 -3.698 -6.095 1.00 0.00 N ATOM 295 CA GLY A 23 13.954 -3.371 -7.460 1.00 0.00 C ATOM 296 C GLY A 23 12.649 -4.021 -7.878 1.00 0.00 C ATOM 297 O GLY A 23 11.926 -3.488 -8.719 1.00 0.00 O ATOM 0 H GLY A 23 14.078 -2.990 -5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.866 -2.289 -7.560 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.748 -3.690 -8.135 1.00 0.00 H new ATOM 301 N GLU A 24 12.349 -5.175 -7.290 1.00 0.00 N ATOM 302 CA GLU A 24 11.124 -5.898 -7.609 1.00 0.00 C ATOM 303 C GLU A 24 9.895 -5.040 -7.321 1.00 0.00 C ATOM 304 O GLU A 24 10.007 -3.937 -6.785 1.00 0.00 O ATOM 305 CB GLU A 24 11.050 -7.199 -6.808 1.00 0.00 C ATOM 306 CG GLU A 24 12.192 -8.159 -7.099 1.00 0.00 C ATOM 307 CD GLU A 24 12.327 -8.473 -8.576 1.00 0.00 C ATOM 308 OE1 GLU A 24 13.034 -7.722 -9.280 1.00 0.00 O ATOM 309 OE2 GLU A 24 11.725 -9.470 -9.029 1.00 0.00 O ATOM 0 H GLU A 24 12.937 -5.629 -6.591 1.00 0.00 H new ATOM 0 HA GLU A 24 11.139 -6.135 -8.673 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.049 -6.961 -5.744 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.104 -7.696 -7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.125 -7.728 -6.736 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.033 -9.085 -6.547 1.00 0.00 H new ATOM 316 N ASP A 25 8.724 -5.554 -7.681 1.00 0.00 N ATOM 317 CA ASP A 25 7.474 -4.837 -7.461 1.00 0.00 C ATOM 318 C ASP A 25 6.586 -5.582 -6.469 1.00 0.00 C ATOM 319 O ASP A 25 6.421 -6.798 -6.562 1.00 0.00 O ATOM 320 CB ASP A 25 6.732 -4.645 -8.784 1.00 0.00 C ATOM 321 CG ASP A 25 6.847 -5.853 -9.693 1.00 0.00 C ATOM 322 OD1 ASP A 25 6.478 -6.963 -9.255 1.00 0.00 O ATOM 323 OD2 ASP A 25 7.306 -5.688 -10.843 1.00 0.00 O ATOM 0 H ASP A 25 8.615 -6.465 -8.127 1.00 0.00 H new ATOM 0 HA ASP A 25 7.714 -3.860 -7.042 1.00 0.00 H new ATOM 0 HB2 ASP A 25 5.680 -4.445 -8.581 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.130 -3.769 -9.297 1.00 0.00 H new ATOM 328 N ALA A 26 6.019 -4.845 -5.521 1.00 0.00 N ATOM 329 CA ALA A 26 5.147 -5.436 -4.512 1.00 0.00 C ATOM 330 C ALA A 26 3.679 -5.270 -4.890 1.00 0.00 C ATOM 331 O ALA A 26 3.312 -4.332 -5.597 1.00 0.00 O ATOM 332 CB ALA A 26 5.418 -4.814 -3.151 1.00 0.00 C ATOM 0 H ALA A 26 6.147 -3.837 -5.430 1.00 0.00 H new ATOM 0 HA ALA A 26 5.363 -6.503 -4.460 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.760 -5.264 -2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.457 -4.990 -2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.232 -3.741 -3.198 1.00 0.00 H new ATOM 338 N VAL A 27 2.843 -6.188 -4.414 1.00 0.00 N ATOM 339 CA VAL A 27 1.415 -6.142 -4.701 1.00 0.00 C ATOM 340 C VAL A 27 0.593 -6.413 -3.445 1.00 0.00 C ATOM 341 O VAL A 27 0.914 -7.304 -2.660 1.00 0.00 O ATOM 342 CB VAL A 27 1.027 -7.166 -5.785 1.00 0.00 C ATOM 343 CG1 VAL A 27 -0.474 -7.145 -6.026 1.00 0.00 C ATOM 344 CG2 VAL A 27 1.787 -6.889 -7.073 1.00 0.00 C ATOM 0 H VAL A 27 3.131 -6.972 -3.828 1.00 0.00 H new ATOM 0 HA VAL A 27 1.198 -5.138 -5.065 1.00 0.00 H new ATOM 0 HB VAL A 27 1.300 -8.162 -5.436 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.729 -7.874 -6.795 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.994 -7.395 -5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.776 -6.151 -6.355 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.502 -7.621 -7.828 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.546 -5.887 -7.429 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.858 -6.960 -6.886 1.00 0.00 H new ATOM 354 N PHE A 28 -0.471 -5.637 -3.263 1.00 0.00 N ATOM 355 CA PHE A 28 -1.340 -5.792 -2.102 1.00 0.00 C ATOM 356 C PHE A 28 -2.798 -5.542 -2.477 1.00 0.00 C ATOM 357 O PHE A 28 -3.089 -4.861 -3.460 1.00 0.00 O ATOM 358 CB PHE A 28 -0.916 -4.831 -0.989 1.00 0.00 C ATOM 359 CG PHE A 28 0.314 -5.275 -0.250 1.00 0.00 C ATOM 360 CD1 PHE A 28 0.306 -6.442 0.498 1.00 0.00 C ATOM 361 CD2 PHE A 28 1.478 -4.526 -0.302 1.00 0.00 C ATOM 362 CE1 PHE A 28 1.436 -6.853 1.179 1.00 0.00 C ATOM 363 CE2 PHE A 28 2.612 -4.933 0.376 1.00 0.00 C ATOM 364 CZ PHE A 28 2.590 -6.097 1.119 1.00 0.00 C ATOM 0 H PHE A 28 -0.752 -4.895 -3.904 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.246 -6.817 -1.743 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.736 -3.846 -1.420 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.737 -4.724 -0.280 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.594 -7.037 0.549 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.500 -3.613 -0.879 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.417 -7.765 1.758 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.514 -4.341 0.325 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.474 -6.415 1.652 1.00 0.00 H new ATOM 374 N SER A 29 -3.709 -6.100 -1.687 1.00 0.00 N ATOM 375 CA SER A 29 -5.137 -5.942 -1.937 1.00 0.00 C ATOM 376 C SER A 29 -5.958 -6.583 -0.822 1.00 0.00 C ATOM 377 O SER A 29 -5.428 -7.321 0.010 1.00 0.00 O ATOM 378 CB SER A 29 -5.512 -6.563 -3.284 1.00 0.00 C ATOM 379 OG SER A 29 -6.854 -7.018 -3.280 1.00 0.00 O ATOM 0 H SER A 29 -3.484 -6.666 -0.868 1.00 0.00 H new ATOM 0 HA SER A 29 -5.361 -4.876 -1.962 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.376 -5.828 -4.077 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.843 -7.395 -3.503 1.00 0.00 H new ATOM 0 HG SER A 29 -7.069 -7.409 -4.152 1.00 0.00 H new ATOM 385 N LEU A 30 -7.255 -6.297 -0.812 1.00 0.00 N ATOM 386 CA LEU A 30 -8.152 -6.846 0.199 1.00 0.00 C ATOM 387 C LEU A 30 -9.590 -6.878 -0.308 1.00 0.00 C ATOM 388 O LEU A 30 -9.910 -6.280 -1.335 1.00 0.00 O ATOM 389 CB LEU A 30 -8.071 -6.018 1.483 1.00 0.00 C ATOM 390 CG LEU A 30 -8.524 -4.562 1.374 1.00 0.00 C ATOM 391 CD1 LEU A 30 -10.007 -4.440 1.687 1.00 0.00 C ATOM 392 CD2 LEU A 30 -7.706 -3.677 2.303 1.00 0.00 C ATOM 0 H LEU A 30 -7.709 -5.688 -1.493 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.838 -7.868 0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.675 -6.509 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.040 -6.031 1.835 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.361 -4.227 0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.312 -3.397 1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.579 -5.042 0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.195 -4.794 2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.043 -2.644 2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.836 -4.011 3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.652 -3.740 2.032 1.00 0.00 H new ATOM 404 N ASP A 31 -10.453 -7.579 0.420 1.00 0.00 N ATOM 405 CA ASP A 31 -11.858 -7.686 0.046 1.00 0.00 C ATOM 406 C ASP A 31 -12.756 -7.105 1.134 1.00 0.00 C ATOM 407 O ASP A 31 -12.447 -7.195 2.323 1.00 0.00 O ATOM 408 CB ASP A 31 -12.229 -9.148 -0.211 1.00 0.00 C ATOM 409 CG ASP A 31 -11.394 -9.771 -1.313 1.00 0.00 C ATOM 410 OD1 ASP A 31 -10.265 -10.218 -1.021 1.00 0.00 O ATOM 411 OD2 ASP A 31 -11.869 -9.811 -2.467 1.00 0.00 O ATOM 0 H ASP A 31 -10.204 -8.081 1.272 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.009 -7.114 -0.869 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.098 -9.720 0.708 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.284 -9.211 -0.478 1.00 0.00 H new ATOM 416 N LEU A 32 -13.868 -6.508 0.719 1.00 0.00 N ATOM 417 CA LEU A 32 -14.811 -5.911 1.658 1.00 0.00 C ATOM 418 C LEU A 32 -16.238 -6.353 1.352 1.00 0.00 C ATOM 419 O LEU A 32 -16.563 -6.694 0.215 1.00 0.00 O ATOM 420 CB LEU A 32 -14.716 -4.385 1.606 1.00 0.00 C ATOM 421 CG LEU A 32 -13.311 -3.795 1.738 1.00 0.00 C ATOM 422 CD1 LEU A 32 -13.350 -2.283 1.579 1.00 0.00 C ATOM 423 CD2 LEU A 32 -12.697 -4.177 3.077 1.00 0.00 C ATOM 0 H LEU A 32 -14.138 -6.425 -0.261 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.552 -6.251 2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.143 -4.046 0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.337 -3.975 2.403 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.688 -4.207 0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.342 -1.881 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.748 -2.031 0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.988 -1.852 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.698 -3.749 3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.319 -3.793 3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.634 -5.263 3.152 1.00 0.00 H new ATOM 435 N SER A 33 -17.088 -6.344 2.375 1.00 0.00 N ATOM 436 CA SER A 33 -18.480 -6.746 2.215 1.00 0.00 C ATOM 437 C SER A 33 -19.274 -5.673 1.475 1.00 0.00 C ATOM 438 O SER A 33 -20.323 -5.951 0.892 1.00 0.00 O ATOM 439 CB SER A 33 -19.115 -7.014 3.581 1.00 0.00 C ATOM 440 OG SER A 33 -20.268 -7.829 3.457 1.00 0.00 O ATOM 0 H SER A 33 -16.836 -6.063 3.323 1.00 0.00 H new ATOM 0 HA SER A 33 -18.502 -7.662 1.625 1.00 0.00 H new ATOM 0 HB2 SER A 33 -18.390 -7.501 4.233 1.00 0.00 H new ATOM 0 HB3 SER A 33 -19.383 -6.069 4.053 1.00 0.00 H new ATOM 0 HG SER A 33 -20.654 -7.987 4.344 1.00 0.00 H new ATOM 446 N THR A 34 -18.766 -4.445 1.502 1.00 0.00 N ATOM 447 CA THR A 34 -19.426 -3.330 0.836 1.00 0.00 C ATOM 448 C THR A 34 -18.445 -2.197 0.556 1.00 0.00 C ATOM 449 O THR A 34 -17.329 -2.188 1.077 1.00 0.00 O ATOM 450 CB THR A 34 -20.595 -2.785 1.677 1.00 0.00 C ATOM 451 OG1 THR A 34 -21.405 -1.911 0.883 1.00 0.00 O ATOM 452 CG2 THR A 34 -20.081 -2.038 2.899 1.00 0.00 C ATOM 0 H THR A 34 -17.899 -4.198 1.979 1.00 0.00 H new ATOM 0 HA THR A 34 -19.814 -3.712 -0.108 1.00 0.00 H new ATOM 0 HB THR A 34 -21.196 -3.630 2.014 1.00 0.00 H new ATOM 0 HG1 THR A 34 -22.147 -1.570 1.425 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.925 -1.662 3.477 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.490 -2.714 3.517 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.459 -1.202 2.579 1.00 0.00 H new ATOM 460 N ILE A 35 -18.867 -1.244 -0.267 1.00 0.00 N ATOM 461 CA ILE A 35 -18.025 -0.106 -0.614 1.00 0.00 C ATOM 462 C ILE A 35 -17.704 0.735 0.617 1.00 0.00 C ATOM 463 O ILE A 35 -18.502 0.817 1.551 1.00 0.00 O ATOM 464 CB ILE A 35 -18.696 0.789 -1.672 1.00 0.00 C ATOM 465 CG1 ILE A 35 -19.134 -0.047 -2.876 1.00 0.00 C ATOM 466 CG2 ILE A 35 -17.748 1.897 -2.107 1.00 0.00 C ATOM 467 CD1 ILE A 35 -20.355 0.501 -3.581 1.00 0.00 C ATOM 0 H ILE A 35 -19.787 -1.237 -0.706 1.00 0.00 H new ATOM 0 HA ILE A 35 -17.101 -0.511 -1.026 1.00 0.00 H new ATOM 0 HB ILE A 35 -19.581 1.247 -1.230 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -18.310 -0.105 -3.587 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -19.342 -1.065 -2.545 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -18.237 2.521 -2.855 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -17.481 2.507 -1.244 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.846 1.458 -2.534 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -20.608 -0.142 -4.424 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -21.193 0.533 -2.885 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -20.145 1.508 -3.943 1.00 0.00 H new ATOM 479 N ILE A 36 -16.530 1.358 0.611 1.00 0.00 N ATOM 480 CA ILE A 36 -16.105 2.195 1.725 1.00 0.00 C ATOM 481 C ILE A 36 -14.882 3.027 1.352 1.00 0.00 C ATOM 482 O ILE A 36 -14.159 2.698 0.413 1.00 0.00 O ATOM 483 CB ILE A 36 -15.776 1.350 2.970 1.00 0.00 C ATOM 484 CG1 ILE A 36 -15.639 2.248 4.201 1.00 0.00 C ATOM 485 CG2 ILE A 36 -14.501 0.551 2.747 1.00 0.00 C ATOM 486 CD1 ILE A 36 -15.839 1.516 5.510 1.00 0.00 C ATOM 0 H ILE A 36 -15.857 1.299 -0.153 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.937 2.860 1.956 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.594 0.651 3.142 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.650 2.706 4.198 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.366 3.058 4.132 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.282 -0.041 3.636 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.632 -0.113 1.892 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.673 1.233 2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.727 2.215 6.339 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.838 1.081 5.535 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.096 0.724 5.601 1.00 0.00 H new ATOM 498 N GLN A 37 -14.658 4.106 2.096 1.00 0.00 N ATOM 499 CA GLN A 37 -13.522 4.984 1.844 1.00 0.00 C ATOM 500 C GLN A 37 -12.452 4.813 2.918 1.00 0.00 C ATOM 501 O GLN A 37 -12.648 5.197 4.070 1.00 0.00 O ATOM 502 CB GLN A 37 -13.980 6.443 1.792 1.00 0.00 C ATOM 503 CG GLN A 37 -14.413 6.896 0.407 1.00 0.00 C ATOM 504 CD GLN A 37 -15.036 8.278 0.413 1.00 0.00 C ATOM 505 OE1 GLN A 37 -14.339 9.285 0.542 1.00 0.00 O ATOM 506 NE2 GLN A 37 -16.355 8.333 0.272 1.00 0.00 N ATOM 0 H GLN A 37 -15.248 4.392 2.877 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.091 4.711 0.881 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.810 6.580 2.486 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.168 7.083 2.137 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.550 6.894 -0.258 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -15.129 6.181 0.002 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -16.893 7.473 0.168 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -16.830 9.236 0.268 1.00 0.00 H new ATOM 515 N GLY A 38 -11.320 4.232 2.531 1.00 0.00 N ATOM 516 CA GLY A 38 -10.237 4.020 3.472 1.00 0.00 C ATOM 517 C GLY A 38 -8.941 4.664 3.020 1.00 0.00 C ATOM 518 O GLY A 38 -8.912 5.384 2.021 1.00 0.00 O ATOM 0 H GLY A 38 -11.134 3.905 1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.520 4.424 4.444 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.080 2.950 3.605 1.00 0.00 H new ATOM 522 N THR A 39 -7.866 4.408 3.759 1.00 0.00 N ATOM 523 CA THR A 39 -6.562 4.971 3.430 1.00 0.00 C ATOM 524 C THR A 39 -5.454 3.942 3.627 1.00 0.00 C ATOM 525 O THR A 39 -5.550 3.071 4.491 1.00 0.00 O ATOM 526 CB THR A 39 -6.253 6.212 4.289 1.00 0.00 C ATOM 527 OG1 THR A 39 -7.040 7.323 3.845 1.00 0.00 O ATOM 528 CG2 THR A 39 -4.776 6.568 4.214 1.00 0.00 C ATOM 0 H THR A 39 -7.873 3.815 4.589 1.00 0.00 H new ATOM 0 HA THR A 39 -6.600 5.265 2.381 1.00 0.00 H new ATOM 0 HB THR A 39 -6.502 5.981 5.325 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.839 8.107 4.397 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.582 7.447 4.828 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.181 5.731 4.580 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.505 6.781 3.180 1.00 0.00 H new ATOM 536 N TRP A 40 -4.404 4.050 2.821 1.00 0.00 N ATOM 537 CA TRP A 40 -3.277 3.129 2.907 1.00 0.00 C ATOM 538 C TRP A 40 -2.186 3.686 3.816 1.00 0.00 C ATOM 539 O TRP A 40 -2.004 4.900 3.911 1.00 0.00 O ATOM 540 CB TRP A 40 -2.707 2.855 1.515 1.00 0.00 C ATOM 541 CG TRP A 40 -3.621 2.045 0.647 1.00 0.00 C ATOM 542 CD1 TRP A 40 -4.497 2.518 -0.288 1.00 0.00 C ATOM 543 CD2 TRP A 40 -3.751 0.619 0.636 1.00 0.00 C ATOM 544 NE1 TRP A 40 -5.163 1.472 -0.880 1.00 0.00 N ATOM 545 CE2 TRP A 40 -4.724 0.297 -0.331 1.00 0.00 C ATOM 546 CE3 TRP A 40 -3.140 -0.417 1.348 1.00 0.00 C ATOM 547 CZ2 TRP A 40 -5.097 -1.017 -0.601 1.00 0.00 C ATOM 548 CZ3 TRP A 40 -3.512 -1.720 1.078 1.00 0.00 C ATOM 549 CH2 TRP A 40 -4.482 -2.011 0.110 1.00 0.00 C ATOM 0 H TRP A 40 -4.310 4.766 2.101 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.638 2.193 3.334 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.498 3.805 1.023 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.756 2.332 1.616 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.645 3.561 -0.527 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.870 1.557 -1.610 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.391 -0.203 2.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -5.846 -1.244 -1.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -3.047 -2.528 1.623 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.750 -3.040 -0.079 1.00 0.00 H new ATOM 560 N PHE A 41 -1.463 2.792 4.483 1.00 0.00 N ATOM 561 CA PHE A 41 -0.391 3.196 5.385 1.00 0.00 C ATOM 562 C PHE A 41 0.940 2.585 4.955 1.00 0.00 C ATOM 563 O PHE A 41 0.974 1.604 4.211 1.00 0.00 O ATOM 564 CB PHE A 41 -0.718 2.776 6.819 1.00 0.00 C ATOM 565 CG PHE A 41 -1.557 3.778 7.560 1.00 0.00 C ATOM 566 CD1 PHE A 41 -2.812 4.132 7.091 1.00 0.00 C ATOM 567 CD2 PHE A 41 -1.092 4.364 8.726 1.00 0.00 C ATOM 568 CE1 PHE A 41 -3.586 5.054 7.770 1.00 0.00 C ATOM 569 CE2 PHE A 41 -1.862 5.287 9.410 1.00 0.00 C ATOM 570 CZ PHE A 41 -3.111 5.631 8.932 1.00 0.00 C ATOM 0 H PHE A 41 -1.600 1.784 4.416 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.303 4.282 5.343 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.241 1.820 6.799 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.213 2.619 7.364 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.190 3.682 6.185 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.117 4.097 9.105 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.561 5.323 7.393 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.487 5.738 10.317 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.715 6.350 9.465 1.00 0.00 H new ATOM 580 N LEU A 42 2.033 3.172 5.429 1.00 0.00 N ATOM 581 CA LEU A 42 3.368 2.687 5.094 1.00 0.00 C ATOM 582 C LEU A 42 4.310 2.818 6.287 1.00 0.00 C ATOM 583 O LEU A 42 4.615 3.924 6.730 1.00 0.00 O ATOM 584 CB LEU A 42 3.928 3.461 3.900 1.00 0.00 C ATOM 585 CG LEU A 42 5.295 3.006 3.386 1.00 0.00 C ATOM 586 CD1 LEU A 42 5.174 1.681 2.649 1.00 0.00 C ATOM 587 CD2 LEU A 42 5.906 4.067 2.483 1.00 0.00 C ATOM 0 H LEU A 42 2.022 3.984 6.046 1.00 0.00 H new ATOM 0 HA LEU A 42 3.289 1.632 4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.213 3.392 3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.998 4.513 4.175 1.00 0.00 H new ATOM 0 HG LEU A 42 5.954 2.863 4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.156 1.373 2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.781 0.923 3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.498 1.796 1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.878 3.726 2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.249 4.242 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.030 4.994 3.043 1.00 0.00 H new ATOM 599 N ASN A 43 4.769 1.681 6.799 1.00 0.00 N ATOM 600 CA ASN A 43 5.678 1.669 7.940 1.00 0.00 C ATOM 601 C ASN A 43 5.026 2.309 9.162 1.00 0.00 C ATOM 602 O ASN A 43 5.695 2.954 9.968 1.00 0.00 O ATOM 603 CB ASN A 43 6.973 2.405 7.594 1.00 0.00 C ATOM 604 CG ASN A 43 8.005 1.493 6.958 1.00 0.00 C ATOM 605 OD1 ASN A 43 8.578 0.629 7.622 1.00 0.00 O ATOM 606 ND2 ASN A 43 8.246 1.682 5.666 1.00 0.00 N ATOM 0 H ASN A 43 4.527 0.756 6.443 1.00 0.00 H new ATOM 0 HA ASN A 43 5.910 0.631 8.177 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.750 3.227 6.913 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.390 2.845 8.500 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.930 1.099 5.184 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.747 2.411 5.155 1.00 0.00 H new ATOM 613 N GLY A 44 3.716 2.126 9.291 1.00 0.00 N ATOM 614 CA GLY A 44 2.995 2.692 10.417 1.00 0.00 C ATOM 615 C GLY A 44 2.477 4.087 10.132 1.00 0.00 C ATOM 616 O GLY A 44 1.606 4.589 10.841 1.00 0.00 O ATOM 0 H GLY A 44 3.141 1.596 8.636 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.158 2.042 10.672 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.652 2.722 11.287 1.00 0.00 H new ATOM 620 N GLU A 45 3.016 4.716 9.092 1.00 0.00 N ATOM 621 CA GLU A 45 2.603 6.063 8.717 1.00 0.00 C ATOM 622 C GLU A 45 1.439 6.021 7.730 1.00 0.00 C ATOM 623 O GLU A 45 0.973 4.948 7.352 1.00 0.00 O ATOM 624 CB GLU A 45 3.778 6.829 8.104 1.00 0.00 C ATOM 625 CG GLU A 45 3.869 6.697 6.593 1.00 0.00 C ATOM 626 CD GLU A 45 5.294 6.787 6.085 1.00 0.00 C ATOM 627 OE1 GLU A 45 6.029 5.784 6.196 1.00 0.00 O ATOM 628 OE2 GLU A 45 5.675 7.862 5.575 1.00 0.00 O ATOM 0 H GLU A 45 3.739 4.315 8.495 1.00 0.00 H new ATOM 0 HA GLU A 45 2.273 6.578 9.619 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.688 7.884 8.363 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.706 6.470 8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.438 5.743 6.289 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.271 7.480 6.127 1.00 0.00 H new ATOM 635 N GLU A 46 0.977 7.198 7.320 1.00 0.00 N ATOM 636 CA GLU A 46 -0.133 7.296 6.379 1.00 0.00 C ATOM 637 C GLU A 46 0.357 7.744 5.005 1.00 0.00 C ATOM 638 O GLU A 46 1.160 8.671 4.891 1.00 0.00 O ATOM 639 CB GLU A 46 -1.188 8.273 6.900 1.00 0.00 C ATOM 640 CG GLU A 46 -2.265 8.607 5.881 1.00 0.00 C ATOM 641 CD GLU A 46 -2.961 9.921 6.178 1.00 0.00 C ATOM 642 OE1 GLU A 46 -2.997 10.318 7.361 1.00 0.00 O ATOM 643 OE2 GLU A 46 -3.471 10.551 5.228 1.00 0.00 O ATOM 0 H GLU A 46 1.353 8.096 7.624 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.581 6.307 6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.658 7.848 7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.696 9.194 7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.819 8.653 4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.003 7.805 5.862 1.00 0.00 H new ATOM 650 N LEU A 47 -0.132 7.079 3.963 1.00 0.00 N ATOM 651 CA LEU A 47 0.255 7.407 2.596 1.00 0.00 C ATOM 652 C LEU A 47 -0.720 8.405 1.979 1.00 0.00 C ATOM 653 O LEU A 47 -1.868 8.069 1.688 1.00 0.00 O ATOM 654 CB LEU A 47 0.313 6.139 1.743 1.00 0.00 C ATOM 655 CG LEU A 47 1.509 5.218 1.990 1.00 0.00 C ATOM 656 CD1 LEU A 47 1.268 3.852 1.366 1.00 0.00 C ATOM 657 CD2 LEU A 47 2.784 5.841 1.440 1.00 0.00 C ATOM 0 H LEU A 47 -0.797 6.310 4.040 1.00 0.00 H new ATOM 0 HA LEU A 47 1.244 7.864 2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.600 5.569 1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.316 6.431 0.693 1.00 0.00 H new ATOM 0 HG LEU A 47 1.627 5.087 3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.129 3.210 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.378 3.402 1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.123 3.963 0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.625 5.172 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.677 6.002 0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.965 6.796 1.934 1.00 0.00 H new ATOM 910 N ARG A 64 1.051 2.506 -7.079 1.00 0.00 N ATOM 911 CA ARG A 64 -0.295 2.598 -7.632 1.00 0.00 C ATOM 912 C ARG A 64 -1.340 2.226 -6.583 1.00 0.00 C ATOM 913 O ARG A 64 -1.280 1.150 -5.987 1.00 0.00 O ATOM 914 CB ARG A 64 -0.432 1.683 -8.850 1.00 0.00 C ATOM 915 CG ARG A 64 -1.714 1.905 -9.637 1.00 0.00 C ATOM 916 CD ARG A 64 -1.986 0.755 -10.594 1.00 0.00 C ATOM 917 NE ARG A 64 -1.002 0.695 -11.672 1.00 0.00 N ATOM 918 CZ ARG A 64 -1.215 0.074 -12.827 1.00 0.00 C ATOM 919 NH1 ARG A 64 -2.370 -0.537 -13.052 1.00 0.00 N ATOM 920 NH2 ARG A 64 -0.271 0.063 -13.759 1.00 0.00 N ATOM 0 HA ARG A 64 -0.465 3.630 -7.940 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.421 1.840 -9.510 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.393 0.645 -8.520 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.552 2.012 -8.948 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.641 2.837 -10.198 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.977 -0.185 -10.043 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.983 0.866 -11.019 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.103 1.155 -11.530 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.098 -0.531 -12.337 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.531 -1.013 -13.940 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.619 0.531 -13.589 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.435 -0.414 -14.646 1.00 0.00 H new ATOM 934 N ILE A 65 -2.295 3.124 -6.363 1.00 0.00 N ATOM 935 CA ILE A 65 -3.352 2.890 -5.388 1.00 0.00 C ATOM 936 C ILE A 65 -4.703 2.709 -6.073 1.00 0.00 C ATOM 937 O ILE A 65 -5.319 3.678 -6.515 1.00 0.00 O ATOM 938 CB ILE A 65 -3.453 4.048 -4.378 1.00 0.00 C ATOM 939 CG1 ILE A 65 -2.183 4.123 -3.527 1.00 0.00 C ATOM 940 CG2 ILE A 65 -4.679 3.875 -3.494 1.00 0.00 C ATOM 941 CD1 ILE A 65 -1.992 5.459 -2.843 1.00 0.00 C ATOM 0 H ILE A 65 -2.358 4.020 -6.847 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.092 1.975 -4.855 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.555 4.983 -4.929 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.215 3.338 -2.771 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.319 3.921 -4.160 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.736 4.701 -2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.576 3.865 -4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.605 2.934 -2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.073 5.440 -2.258 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.928 6.246 -3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.838 5.654 -2.184 1.00 0.00 H new ATOM 953 N GLU A 66 -5.156 1.462 -6.156 1.00 0.00 N ATOM 954 CA GLU A 66 -6.435 1.156 -6.787 1.00 0.00 C ATOM 955 C GLU A 66 -7.540 1.029 -5.743 1.00 0.00 C ATOM 956 O GLU A 66 -7.445 0.219 -4.821 1.00 0.00 O ATOM 957 CB GLU A 66 -6.332 -0.138 -7.597 1.00 0.00 C ATOM 958 CG GLU A 66 -5.220 -0.121 -8.633 1.00 0.00 C ATOM 959 CD GLU A 66 -5.479 -1.076 -9.782 1.00 0.00 C ATOM 960 OE1 GLU A 66 -6.581 -1.018 -10.366 1.00 0.00 O ATOM 961 OE2 GLU A 66 -4.578 -1.882 -10.097 1.00 0.00 O ATOM 0 H GLU A 66 -4.658 0.649 -5.795 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.686 1.977 -7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.168 -0.972 -6.914 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.282 -0.319 -8.099 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.108 0.890 -9.024 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.277 -0.383 -8.153 1.00 0.00 H new ATOM 1014 N LEU A 70 -15.622 -2.439 -2.898 1.00 0.00 N ATOM 1015 CA LEU A 70 -15.091 -3.356 -1.895 1.00 0.00 C ATOM 1016 C LEU A 70 -13.872 -4.101 -2.430 1.00 0.00 C ATOM 1017 O LEU A 70 -13.602 -5.234 -2.031 1.00 0.00 O ATOM 1018 CB LEU A 70 -16.167 -4.355 -1.468 1.00 0.00 C ATOM 1019 CG LEU A 70 -17.218 -4.701 -2.523 1.00 0.00 C ATOM 1020 CD1 LEU A 70 -17.662 -6.149 -2.380 1.00 0.00 C ATOM 1021 CD2 LEU A 70 -18.411 -3.762 -2.416 1.00 0.00 C ATOM 0 HA LEU A 70 -14.784 -2.770 -1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.676 -5.277 -1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.678 -3.956 -0.592 1.00 0.00 H new ATOM 0 HG LEU A 70 -16.770 -4.576 -3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.410 -6.377 -3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.803 -6.807 -2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -18.092 -6.302 -1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -19.149 -4.023 -3.175 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -18.859 -3.855 -1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -18.080 -2.735 -2.570 1.00 0.00 H new ATOM 1033 N GLN A 71 -13.139 -3.456 -3.332 1.00 0.00 N ATOM 1034 CA GLN A 71 -11.948 -4.058 -3.920 1.00 0.00 C ATOM 1035 C GLN A 71 -10.807 -3.049 -3.992 1.00 0.00 C ATOM 1036 O GLN A 71 -10.810 -2.152 -4.836 1.00 0.00 O ATOM 1037 CB GLN A 71 -12.259 -4.595 -5.318 1.00 0.00 C ATOM 1038 CG GLN A 71 -11.286 -5.664 -5.790 1.00 0.00 C ATOM 1039 CD GLN A 71 -11.790 -6.415 -7.006 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -11.849 -5.869 -8.108 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -12.157 -7.677 -6.812 1.00 0.00 N ATOM 0 H GLN A 71 -13.349 -2.517 -3.671 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.637 -4.885 -3.282 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.268 -5.006 -5.324 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.248 -3.767 -6.027 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.328 -5.200 -6.025 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -11.107 -6.371 -4.980 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.092 -8.090 -5.882 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.504 -8.233 -7.593 1.00 0.00 H new ATOM 1050 N HIS A 72 -9.832 -3.200 -3.101 1.00 0.00 N ATOM 1051 CA HIS A 72 -8.684 -2.302 -3.063 1.00 0.00 C ATOM 1052 C HIS A 72 -7.390 -3.062 -3.335 1.00 0.00 C ATOM 1053 O HIS A 72 -7.217 -4.194 -2.883 1.00 0.00 O ATOM 1054 CB HIS A 72 -8.602 -1.600 -1.707 1.00 0.00 C ATOM 1055 CG HIS A 72 -9.859 -0.879 -1.329 1.00 0.00 C ATOM 1056 ND1 HIS A 72 -11.113 -1.339 -1.112 1.00 0.00 N flip ATOM 1057 CD2 HIS A 72 -9.914 0.486 -1.135 1.00 0.00 C flip ATOM 1058 CE1 HIS A 72 -11.895 -0.256 -0.792 1.00 0.00 C flip ATOM 1059 NE2 HIS A 72 -11.147 0.833 -0.812 1.00 0.00 N flip ATOM 0 H HIS A 72 -9.814 -3.936 -2.395 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.815 -1.553 -3.844 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.371 -2.338 -0.939 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.776 -0.889 -1.725 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -9.079 1.165 -1.232 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -12.950 -0.289 -0.562 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -11.467 1.781 -0.612 1.00 0.00 H new ATOM 1067 N ARG A 73 -6.484 -2.433 -4.076 1.00 0.00 N ATOM 1068 CA ARG A 73 -5.206 -3.052 -4.410 1.00 0.00 C ATOM 1069 C ARG A 73 -4.124 -1.994 -4.602 1.00 0.00 C ATOM 1070 O ARG A 73 -4.354 -0.962 -5.233 1.00 0.00 O ATOM 1071 CB ARG A 73 -5.340 -3.896 -5.678 1.00 0.00 C ATOM 1072 CG ARG A 73 -4.068 -4.640 -6.052 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.122 -5.153 -7.482 1.00 0.00 C ATOM 1074 NE ARG A 73 -3.273 -6.325 -7.676 1.00 0.00 N ATOM 1075 CZ ARG A 73 -3.309 -7.086 -8.764 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -4.146 -6.799 -9.751 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -2.505 -8.137 -8.866 1.00 0.00 N ATOM 0 H ARG A 73 -6.611 -1.495 -4.457 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.916 -3.698 -3.581 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.146 -4.617 -5.541 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.629 -3.249 -6.506 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.210 -3.978 -5.934 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.921 -5.477 -5.369 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.151 -5.405 -7.738 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.809 -4.362 -8.163 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.617 -6.573 -6.936 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.765 -5.992 -9.676 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.171 -7.385 -10.585 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.859 -8.361 -8.109 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.533 -8.721 -9.702 1.00 0.00 H new ATOM 1091 N LEU A 74 -2.943 -2.257 -4.053 1.00 0.00 N ATOM 1092 CA LEU A 74 -1.824 -1.328 -4.163 1.00 0.00 C ATOM 1093 C LEU A 74 -0.564 -2.046 -4.635 1.00 0.00 C ATOM 1094 O LEU A 74 -0.189 -3.085 -4.089 1.00 0.00 O ATOM 1095 CB LEU A 74 -1.565 -0.649 -2.817 1.00 0.00 C ATOM 1096 CG LEU A 74 -0.156 -0.092 -2.607 1.00 0.00 C ATOM 1097 CD1 LEU A 74 -0.211 1.224 -1.846 1.00 0.00 C ATOM 1098 CD2 LEU A 74 0.712 -1.101 -1.869 1.00 0.00 C ATOM 0 H LEU A 74 -2.736 -3.106 -3.527 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.085 -0.569 -4.901 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.278 0.167 -2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.772 -1.368 -2.024 1.00 0.00 H new ATOM 0 HG LEU A 74 0.290 0.095 -3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.800 1.606 -1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.797 1.948 -2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.676 1.063 -0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.711 -0.688 -1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.270 -1.319 -0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.778 -2.019 -2.452 1.00 0.00 H new ATOM 1110 N ILE A 75 0.087 -1.486 -5.648 1.00 0.00 N ATOM 1111 CA ILE A 75 1.307 -2.071 -6.190 1.00 0.00 C ATOM 1112 C ILE A 75 2.480 -1.105 -6.072 1.00 0.00 C ATOM 1113 O ILE A 75 2.376 0.065 -6.444 1.00 0.00 O ATOM 1114 CB ILE A 75 1.132 -2.470 -7.668 1.00 0.00 C ATOM 1115 CG1 ILE A 75 -0.131 -3.315 -7.845 1.00 0.00 C ATOM 1116 CG2 ILE A 75 2.356 -3.227 -8.160 1.00 0.00 C ATOM 1117 CD1 ILE A 75 -1.385 -2.493 -8.046 1.00 0.00 C ATOM 0 H ILE A 75 -0.210 -0.627 -6.111 1.00 0.00 H new ATOM 0 HA ILE A 75 1.515 -2.965 -5.603 1.00 0.00 H new ATOM 0 HB ILE A 75 1.026 -1.564 -8.264 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.001 -3.976 -8.701 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.259 -3.950 -6.968 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.218 -3.502 -9.206 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.238 -2.594 -8.065 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.491 -4.129 -7.562 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.241 -3.158 -8.165 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.542 -1.851 -7.179 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.277 -1.877 -8.939 1.00 0.00 H new ATOM 1129 N LEU A 76 3.598 -1.601 -5.552 1.00 0.00 N ATOM 1130 CA LEU A 76 4.793 -0.782 -5.386 1.00 0.00 C ATOM 1131 C LEU A 76 5.906 -1.248 -6.319 1.00 0.00 C ATOM 1132 O LEU A 76 6.625 -2.202 -6.019 1.00 0.00 O ATOM 1133 CB LEU A 76 5.274 -0.835 -3.935 1.00 0.00 C ATOM 1134 CG LEU A 76 4.361 -0.174 -2.901 1.00 0.00 C ATOM 1135 CD1 LEU A 76 4.758 -0.592 -1.494 1.00 0.00 C ATOM 1136 CD2 LEU A 76 4.405 1.341 -3.042 1.00 0.00 C ATOM 0 H LEU A 76 3.701 -2.566 -5.238 1.00 0.00 H new ATOM 0 HA LEU A 76 4.537 0.246 -5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.409 -1.880 -3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.254 -0.361 -3.881 1.00 0.00 H new ATOM 0 HG LEU A 76 3.339 -0.506 -3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.098 -0.112 -0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.674 -1.675 -1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.787 -0.289 -1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.750 1.795 -2.299 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.426 1.691 -2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.071 1.623 -4.040 1.00 0.00 H new ATOM 1148 N HIS A 77 6.045 -0.566 -7.452 1.00 0.00 N ATOM 1149 CA HIS A 77 7.073 -0.909 -8.429 1.00 0.00 C ATOM 1150 C HIS A 77 8.421 -0.315 -8.030 1.00 0.00 C ATOM 1151 O HIS A 77 8.530 0.883 -7.770 1.00 0.00 O ATOM 1152 CB HIS A 77 6.674 -0.409 -9.818 1.00 0.00 C ATOM 1153 CG HIS A 77 5.192 -0.359 -10.033 1.00 0.00 C ATOM 1154 ND1 HIS A 77 4.472 -1.411 -10.558 1.00 0.00 N ATOM 1155 CD2 HIS A 77 4.295 0.625 -9.789 1.00 0.00 C ATOM 1156 CE1 HIS A 77 3.196 -1.076 -10.629 1.00 0.00 C ATOM 1157 NE2 HIS A 77 3.062 0.155 -10.169 1.00 0.00 N ATOM 0 H HIS A 77 5.459 0.226 -7.716 1.00 0.00 H new ATOM 0 HA HIS A 77 7.167 -1.995 -8.455 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.089 0.588 -9.970 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.121 -1.058 -10.571 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.509 1.598 -9.373 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.398 -1.702 -11.000 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.185 0.672 -10.106 1.00 0.00 H new ATOM 1166 N ALA A 78 9.444 -1.161 -7.983 1.00 0.00 N ATOM 1167 CA ALA A 78 10.784 -0.720 -7.617 1.00 0.00 C ATOM 1168 C ALA A 78 10.889 -0.469 -6.116 1.00 0.00 C ATOM 1169 O ALA A 78 11.280 0.615 -5.684 1.00 0.00 O ATOM 1170 CB ALA A 78 11.156 0.536 -8.391 1.00 0.00 C ATOM 0 H ALA A 78 9.370 -2.156 -8.194 1.00 0.00 H new ATOM 0 HA ALA A 78 11.484 -1.514 -7.876 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.159 0.854 -8.108 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.130 0.325 -9.460 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.445 1.329 -8.160 1.00 0.00 H new ATOM 1176 N VAL A 79 10.537 -1.478 -5.326 1.00 0.00 N ATOM 1177 CA VAL A 79 10.591 -1.367 -3.874 1.00 0.00 C ATOM 1178 C VAL A 79 12.031 -1.408 -3.373 1.00 0.00 C ATOM 1179 O VAL A 79 12.719 -2.420 -3.508 1.00 0.00 O ATOM 1180 CB VAL A 79 9.791 -2.494 -3.194 1.00 0.00 C ATOM 1181 CG1 VAL A 79 8.334 -2.451 -3.627 1.00 0.00 C ATOM 1182 CG2 VAL A 79 10.409 -3.849 -3.507 1.00 0.00 C ATOM 0 H VAL A 79 10.211 -2.382 -5.668 1.00 0.00 H new ATOM 0 HA VAL A 79 10.145 -0.407 -3.614 1.00 0.00 H new ATOM 0 HB VAL A 79 9.829 -2.343 -2.115 1.00 0.00 H new ATOM 0 HG11 VAL A 79 7.785 -3.255 -3.136 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.900 -1.491 -3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.272 -2.576 -4.708 1.00 0.00 H new ATOM 0 HG21 VAL A 79 9.831 -4.634 -3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.403 -4.011 -4.585 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.436 -3.874 -3.142 1.00 0.00 H new ATOM 1192 N LYS A 80 12.482 -0.300 -2.794 1.00 0.00 N ATOM 1193 CA LYS A 80 13.839 -0.208 -2.271 1.00 0.00 C ATOM 1194 C LYS A 80 13.942 -0.874 -0.903 1.00 0.00 C ATOM 1195 O LYS A 80 13.004 -0.826 -0.105 1.00 0.00 O ATOM 1196 CB LYS A 80 14.270 1.257 -2.169 1.00 0.00 C ATOM 1197 CG LYS A 80 14.418 1.942 -3.517 1.00 0.00 C ATOM 1198 CD LYS A 80 13.089 2.486 -4.015 1.00 0.00 C ATOM 1199 CE LYS A 80 13.236 3.163 -5.369 1.00 0.00 C ATOM 1200 NZ LYS A 80 11.918 3.553 -5.940 1.00 0.00 N ATOM 0 H LYS A 80 11.926 0.547 -2.675 1.00 0.00 H new ATOM 0 HA LYS A 80 14.503 -0.730 -2.961 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.538 1.802 -1.572 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.220 1.312 -1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.138 2.756 -3.435 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.818 1.235 -4.244 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.367 1.673 -4.090 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.692 3.199 -3.292 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.863 4.048 -5.266 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.745 2.490 -6.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.057 3.965 -6.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.310 2.713 -6.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.465 4.254 -5.320 1.00 0.00 H new ATOM 1214 N HIS A 81 15.086 -1.495 -0.636 1.00 0.00 N ATOM 1215 CA HIS A 81 15.311 -2.170 0.638 1.00 0.00 C ATOM 1216 C HIS A 81 15.308 -1.170 1.790 1.00 0.00 C ATOM 1217 O HIS A 81 15.231 -1.555 2.957 1.00 0.00 O ATOM 1218 CB HIS A 81 16.638 -2.929 0.609 1.00 0.00 C ATOM 1219 CG HIS A 81 17.674 -2.292 -0.266 1.00 0.00 C ATOM 1220 ND1 HIS A 81 17.871 -2.653 -1.582 1.00 0.00 N ATOM 1221 CD2 HIS A 81 18.571 -1.312 -0.007 1.00 0.00 C ATOM 1222 CE1 HIS A 81 18.846 -1.923 -2.094 1.00 0.00 C ATOM 1223 NE2 HIS A 81 19.287 -1.101 -1.159 1.00 0.00 N ATOM 0 H HIS A 81 15.872 -1.545 -1.284 1.00 0.00 H new ATOM 0 HA HIS A 81 14.499 -2.880 0.794 1.00 0.00 H new ATOM 0 HB2 HIS A 81 17.027 -3.002 1.624 1.00 0.00 H new ATOM 0 HB3 HIS A 81 16.458 -3.947 0.262 1.00 0.00 H new ATOM 0 HD2 HIS A 81 18.699 -0.793 0.931 1.00 0.00 H new ATOM 0 HE1 HIS A 81 19.219 -1.988 -3.105 1.00 0.00 H new ATOM 0 HE2 HIS A 81 20.038 -0.420 -1.274 1.00 0.00 H new ATOM 1232 N GLN A 82 15.393 0.113 1.454 1.00 0.00 N ATOM 1233 CA GLN A 82 15.401 1.167 2.462 1.00 0.00 C ATOM 1234 C GLN A 82 14.086 1.191 3.235 1.00 0.00 C ATOM 1235 O GLN A 82 13.995 1.793 4.305 1.00 0.00 O ATOM 1236 CB GLN A 82 15.646 2.527 1.806 1.00 0.00 C ATOM 1237 CG GLN A 82 14.448 3.053 1.032 1.00 0.00 C ATOM 1238 CD GLN A 82 14.505 4.553 0.817 1.00 0.00 C ATOM 1239 OE1 GLN A 82 14.743 5.024 -0.296 1.00 0.00 O ATOM 1240 NE2 GLN A 82 14.286 5.312 1.884 1.00 0.00 N ATOM 0 H GLN A 82 15.457 0.448 0.493 1.00 0.00 H new ATOM 0 HA GLN A 82 16.209 0.959 3.163 1.00 0.00 H new ATOM 0 HB2 GLN A 82 15.916 3.249 2.576 1.00 0.00 H new ATOM 0 HB3 GLN A 82 16.498 2.447 1.131 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.397 2.553 0.065 1.00 0.00 H new ATOM 0 HG3 GLN A 82 13.534 2.801 1.570 1.00 0.00 H new ATOM 0 HE21 GLN A 82 14.093 4.879 2.787 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.311 6.328 1.801 1.00 0.00 H new ATOM 1249 N ASP A 83 13.071 0.534 2.686 1.00 0.00 N ATOM 1250 CA ASP A 83 11.761 0.480 3.324 1.00 0.00 C ATOM 1251 C ASP A 83 11.463 -0.926 3.835 1.00 0.00 C ATOM 1252 O ASP A 83 10.339 -1.227 4.237 1.00 0.00 O ATOM 1253 CB ASP A 83 10.673 0.920 2.343 1.00 0.00 C ATOM 1254 CG ASP A 83 10.431 2.416 2.380 1.00 0.00 C ATOM 1255 OD1 ASP A 83 10.254 2.961 3.489 1.00 0.00 O ATOM 1256 OD2 ASP A 83 10.418 3.042 1.299 1.00 0.00 O ATOM 0 H ASP A 83 13.130 0.031 1.800 1.00 0.00 H new ATOM 0 HA ASP A 83 11.770 1.162 4.174 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.958 0.626 1.333 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.745 0.399 2.577 1.00 0.00 H new ATOM 1261 N SER A 84 12.478 -1.785 3.816 1.00 0.00 N ATOM 1262 CA SER A 84 12.324 -3.161 4.273 1.00 0.00 C ATOM 1263 C SER A 84 11.459 -3.223 5.528 1.00 0.00 C ATOM 1264 O SER A 84 11.281 -2.224 6.223 1.00 0.00 O ATOM 1265 CB SER A 84 13.693 -3.784 4.552 1.00 0.00 C ATOM 1266 OG SER A 84 14.241 -4.360 3.379 1.00 0.00 O ATOM 0 H SER A 84 13.416 -1.552 3.489 1.00 0.00 H new ATOM 0 HA SER A 84 11.829 -3.727 3.484 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.371 -3.022 4.937 1.00 0.00 H new ATOM 0 HB3 SER A 84 13.598 -4.547 5.325 1.00 0.00 H new ATOM 0 HG SER A 84 14.239 -5.336 3.462 1.00 0.00 H new ATOM 1272 N GLY A 85 10.923 -4.406 5.812 1.00 0.00 N ATOM 1273 CA GLY A 85 10.082 -4.578 6.982 1.00 0.00 C ATOM 1274 C GLY A 85 9.017 -3.506 7.094 1.00 0.00 C ATOM 1275 O GLY A 85 8.660 -3.089 8.195 1.00 0.00 O ATOM 0 H GLY A 85 11.056 -5.248 5.253 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.605 -5.557 6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.703 -4.563 7.877 1.00 0.00 H new ATOM 1279 N ALA A 86 8.510 -3.056 5.951 1.00 0.00 N ATOM 1280 CA ALA A 86 7.480 -2.026 5.925 1.00 0.00 C ATOM 1281 C ALA A 86 6.151 -2.565 6.442 1.00 0.00 C ATOM 1282 O ALA A 86 5.983 -3.774 6.611 1.00 0.00 O ATOM 1283 CB ALA A 86 7.316 -1.478 4.515 1.00 0.00 C ATOM 0 H ALA A 86 8.796 -3.389 5.030 1.00 0.00 H new ATOM 0 HA ALA A 86 7.795 -1.216 6.583 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.543 -0.709 4.511 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.259 -1.046 4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.028 -2.286 3.842 1.00 0.00 H new ATOM 1289 N LEU A 87 5.209 -1.663 6.694 1.00 0.00 N ATOM 1290 CA LEU A 87 3.893 -2.049 7.193 1.00 0.00 C ATOM 1291 C LEU A 87 2.786 -1.398 6.370 1.00 0.00 C ATOM 1292 O LEU A 87 2.387 -0.263 6.634 1.00 0.00 O ATOM 1293 CB LEU A 87 3.749 -1.655 8.665 1.00 0.00 C ATOM 1294 CG LEU A 87 2.779 -2.499 9.493 1.00 0.00 C ATOM 1295 CD1 LEU A 87 1.445 -2.636 8.775 1.00 0.00 C ATOM 1296 CD2 LEU A 87 3.375 -3.869 9.781 1.00 0.00 C ATOM 0 H LEU A 87 5.332 -0.659 6.561 1.00 0.00 H new ATOM 0 HA LEU A 87 3.800 -3.131 7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.733 -1.705 9.132 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.426 -0.615 8.712 1.00 0.00 H new ATOM 0 HG LEU A 87 2.607 -1.993 10.443 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.767 -3.240 9.379 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.011 -1.648 8.621 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.599 -3.119 7.810 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.671 -4.455 10.371 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.577 -4.383 8.841 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.305 -3.752 10.337 1.00 0.00 H new ATOM 1308 N VAL A 88 2.292 -2.124 5.373 1.00 0.00 N ATOM 1309 CA VAL A 88 1.228 -1.620 4.514 1.00 0.00 C ATOM 1310 C VAL A 88 -0.129 -2.169 4.938 1.00 0.00 C ATOM 1311 O VAL A 88 -0.347 -3.380 4.944 1.00 0.00 O ATOM 1312 CB VAL A 88 1.478 -1.984 3.038 1.00 0.00 C ATOM 1313 CG1 VAL A 88 0.509 -1.239 2.133 1.00 0.00 C ATOM 1314 CG2 VAL A 88 2.918 -1.684 2.653 1.00 0.00 C ATOM 0 H VAL A 88 2.612 -3.064 5.140 1.00 0.00 H new ATOM 0 HA VAL A 88 1.226 -0.535 4.618 1.00 0.00 H new ATOM 0 HB VAL A 88 1.307 -3.053 2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.701 -1.509 1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.514 -1.509 2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.645 -0.165 2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.077 -1.947 1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.119 -0.622 2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.592 -2.268 3.281 1.00 0.00 H new ATOM 1324 N GLY A 89 -1.041 -1.269 5.294 1.00 0.00 N ATOM 1325 CA GLY A 89 -2.367 -1.683 5.716 1.00 0.00 C ATOM 1326 C GLY A 89 -3.447 -0.723 5.258 1.00 0.00 C ATOM 1327 O GLY A 89 -3.176 0.451 5.001 1.00 0.00 O ATOM 0 H GLY A 89 -0.885 -0.261 5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.577 -2.677 5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.391 -1.761 6.803 1.00 0.00 H new ATOM 1331 N PHE A 90 -4.674 -1.221 5.154 1.00 0.00 N ATOM 1332 CA PHE A 90 -5.799 -0.400 4.721 1.00 0.00 C ATOM 1333 C PHE A 90 -6.684 -0.022 5.905 1.00 0.00 C ATOM 1334 O PHE A 90 -7.407 -0.858 6.446 1.00 0.00 O ATOM 1335 CB PHE A 90 -6.625 -1.143 3.669 1.00 0.00 C ATOM 1336 CG PHE A 90 -8.013 -0.594 3.500 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -8.255 0.457 2.629 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -9.076 -1.129 4.210 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -9.531 0.964 2.473 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -10.354 -0.626 4.057 1.00 0.00 C ATOM 1341 CZ PHE A 90 -10.582 0.422 3.186 1.00 0.00 C ATOM 0 H PHE A 90 -4.915 -2.190 5.364 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.401 0.514 4.281 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.106 -1.097 2.712 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.690 -2.195 3.946 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -7.438 0.884 2.067 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -8.904 -1.949 4.891 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.706 1.785 1.793 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -11.173 -1.051 4.617 1.00 0.00 H new ATOM 0 HZ PHE A 90 -11.580 0.816 3.063 1.00 0.00 H new ATOM 1351 N SER A 91 -6.620 1.245 6.303 1.00 0.00 N ATOM 1352 CA SER A 91 -7.411 1.734 7.425 1.00 0.00 C ATOM 1353 C SER A 91 -8.714 2.362 6.939 1.00 0.00 C ATOM 1354 O SER A 91 -8.709 3.229 6.063 1.00 0.00 O ATOM 1355 CB SER A 91 -6.610 2.756 8.234 1.00 0.00 C ATOM 1356 OG SER A 91 -6.303 3.898 7.453 1.00 0.00 O ATOM 0 H SER A 91 -6.028 1.951 5.865 1.00 0.00 H new ATOM 0 HA SER A 91 -7.653 0.885 8.064 1.00 0.00 H new ATOM 0 HB2 SER A 91 -7.180 3.056 9.113 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.688 2.298 8.593 1.00 0.00 H new ATOM 0 HG SER A 91 -5.341 3.918 7.267 1.00 0.00 H new ATOM 1362 N CYS A 92 -9.827 1.920 7.513 1.00 0.00 N ATOM 1363 CA CYS A 92 -11.138 2.437 7.138 1.00 0.00 C ATOM 1364 C CYS A 92 -12.094 2.408 8.327 1.00 0.00 C ATOM 1365 O CYS A 92 -11.918 1.646 9.278 1.00 0.00 O ATOM 1366 CB CYS A 92 -11.719 1.622 5.982 1.00 0.00 C ATOM 1367 SG CYS A 92 -12.775 0.250 6.502 1.00 0.00 S ATOM 0 H CYS A 92 -9.848 1.205 8.240 1.00 0.00 H new ATOM 0 HA CYS A 92 -11.015 3.472 6.818 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -12.295 2.286 5.338 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -10.899 1.228 5.382 1.00 0.00 H new ATOM 0 HG CYS A 92 -13.047 -0.501 5.476 1.00 0.00 H new ATOM 1373 N PRO A 93 -13.130 3.259 8.274 1.00 0.00 N ATOM 1374 CA PRO A 93 -14.133 3.351 9.339 1.00 0.00 C ATOM 1375 C PRO A 93 -15.025 2.116 9.404 1.00 0.00 C ATOM 1376 O PRO A 93 -16.157 2.130 8.922 1.00 0.00 O ATOM 1377 CB PRO A 93 -14.953 4.583 8.948 1.00 0.00 C ATOM 1378 CG PRO A 93 -14.787 4.695 7.471 1.00 0.00 C ATOM 1379 CD PRO A 93 -13.401 4.196 7.171 1.00 0.00 C ATOM 0 HA PRO A 93 -13.675 3.422 10.325 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.002 4.464 9.221 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -14.591 5.477 9.456 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.537 4.102 6.948 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.910 5.727 7.142 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -13.353 3.700 6.202 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.677 5.010 7.148 1.00 0.00 H new ATOM 1387 N GLY A 94 -14.507 1.048 10.003 1.00 0.00 N ATOM 1388 CA GLY A 94 -15.270 -0.180 10.120 1.00 0.00 C ATOM 1389 C GLY A 94 -14.400 -1.416 10.010 1.00 0.00 C ATOM 1390 O GLY A 94 -14.819 -2.515 10.375 1.00 0.00 O ATOM 0 H GLY A 94 -13.572 1.012 10.409 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.791 -0.190 11.077 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.033 -0.206 9.342 1.00 0.00 H new ATOM 1394 N VAL A 95 -13.184 -1.239 9.503 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.252 -2.349 9.344 1.00 0.00 C ATOM 1396 C VAL A 95 -10.818 -1.904 9.606 1.00 0.00 C ATOM 1397 O VAL A 95 -10.455 -0.759 9.341 1.00 0.00 O ATOM 1398 CB VAL A 95 -12.340 -2.958 7.932 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -11.225 -3.971 7.717 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.702 -3.597 7.711 1.00 0.00 C ATOM 0 H VAL A 95 -12.821 -0.337 9.195 1.00 0.00 H new ATOM 0 HA VAL A 95 -12.533 -3.106 10.076 1.00 0.00 H new ATOM 0 HB VAL A 95 -12.217 -2.158 7.202 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -11.303 -4.391 6.714 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -10.259 -3.478 7.830 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -11.313 -4.770 8.453 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.746 -4.022 6.708 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.857 -4.386 8.447 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -14.480 -2.842 7.819 1.00 0.00 H new ATOM 1410 N GLN A 96 -10.007 -2.819 10.129 1.00 0.00 N ATOM 1411 CA GLN A 96 -8.611 -2.520 10.427 1.00 0.00 C ATOM 1412 C GLN A 96 -7.728 -3.737 10.173 1.00 0.00 C ATOM 1413 O GLN A 96 -7.745 -4.700 10.940 1.00 0.00 O ATOM 1414 CB GLN A 96 -8.465 -2.063 11.879 1.00 0.00 C ATOM 1415 CG GLN A 96 -9.335 -0.867 12.232 1.00 0.00 C ATOM 1416 CD GLN A 96 -9.127 -0.394 13.657 1.00 0.00 C ATOM 1417 OE1 GLN A 96 -9.875 -0.764 14.561 1.00 0.00 O ATOM 1418 NE2 GLN A 96 -8.106 0.430 13.865 1.00 0.00 N ATOM 0 H GLN A 96 -10.292 -3.772 10.355 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.288 -1.716 9.766 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.718 -2.893 12.539 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.422 -1.811 12.069 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.116 -0.049 11.546 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.383 -1.131 12.090 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.511 0.711 13.086 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.917 0.781 14.804 1.00 0.00 H new ATOM 1427 N ASP A 97 -6.957 -3.687 9.092 1.00 0.00 N ATOM 1428 CA ASP A 97 -6.065 -4.785 8.737 1.00 0.00 C ATOM 1429 C ASP A 97 -4.811 -4.264 8.043 1.00 0.00 C ATOM 1430 O ASP A 97 -4.829 -3.202 7.420 1.00 0.00 O ATOM 1431 CB ASP A 97 -6.787 -5.783 7.831 1.00 0.00 C ATOM 1432 CG ASP A 97 -6.271 -7.198 8.001 1.00 0.00 C ATOM 1433 OD1 ASP A 97 -6.678 -7.865 8.976 1.00 0.00 O ATOM 1434 OD2 ASP A 97 -5.461 -7.639 7.160 1.00 0.00 O ATOM 0 H ASP A 97 -6.932 -2.898 8.446 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.766 -5.290 9.656 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.855 -5.760 8.049 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.667 -5.478 6.791 1.00 0.00 H new ATOM 1439 N SER A 98 -3.722 -5.017 8.157 1.00 0.00 N ATOM 1440 CA SER A 98 -2.456 -4.629 7.545 1.00 0.00 C ATOM 1441 C SER A 98 -1.569 -5.848 7.312 1.00 0.00 C ATOM 1442 O SER A 98 -1.775 -6.903 7.911 1.00 0.00 O ATOM 1443 CB SER A 98 -1.727 -3.615 8.429 1.00 0.00 C ATOM 1444 OG SER A 98 -1.165 -4.244 9.568 1.00 0.00 O ATOM 0 H SER A 98 -3.691 -5.899 8.668 1.00 0.00 H new ATOM 0 HA SER A 98 -2.673 -4.170 6.581 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.940 -3.126 7.854 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.422 -2.837 8.745 1.00 0.00 H new ATOM 0 HG SER A 98 -1.094 -3.595 10.298 1.00 0.00 H new ATOM 1450 N ALA A 99 -0.582 -5.694 6.436 1.00 0.00 N ATOM 1451 CA ALA A 99 0.339 -6.781 6.123 1.00 0.00 C ATOM 1452 C ALA A 99 1.775 -6.398 6.464 1.00 0.00 C ATOM 1453 O ALA A 99 2.040 -5.285 6.916 1.00 0.00 O ATOM 1454 CB ALA A 99 0.226 -7.162 4.655 1.00 0.00 C ATOM 0 H ALA A 99 -0.399 -4.827 5.930 1.00 0.00 H new ATOM 0 HA ALA A 99 0.066 -7.643 6.732 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.919 -7.974 4.436 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.792 -7.486 4.441 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.470 -6.299 4.035 1.00 0.00 H new ATOM 1460 N ALA A 100 2.698 -7.329 6.246 1.00 0.00 N ATOM 1461 CA ALA A 100 4.107 -7.089 6.529 1.00 0.00 C ATOM 1462 C ALA A 100 4.949 -7.202 5.262 1.00 0.00 C ATOM 1463 O ALA A 100 4.976 -8.249 4.614 1.00 0.00 O ATOM 1464 CB ALA A 100 4.607 -8.063 7.585 1.00 0.00 C ATOM 0 H ALA A 100 2.495 -8.257 5.874 1.00 0.00 H new ATOM 0 HA ALA A 100 4.207 -6.073 6.911 1.00 0.00 H new ATOM 0 HB1 ALA A 100 5.661 -7.872 7.786 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.033 -7.932 8.502 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.486 -9.084 7.224 1.00 0.00 H new ATOM 1470 N LEU A 101 5.634 -6.118 4.914 1.00 0.00 N ATOM 1471 CA LEU A 101 6.476 -6.095 3.723 1.00 0.00 C ATOM 1472 C LEU A 101 7.920 -6.444 4.071 1.00 0.00 C ATOM 1473 O LEU A 101 8.403 -6.126 5.158 1.00 0.00 O ATOM 1474 CB LEU A 101 6.418 -4.719 3.060 1.00 0.00 C ATOM 1475 CG LEU A 101 5.515 -4.603 1.831 1.00 0.00 C ATOM 1476 CD1 LEU A 101 5.611 -3.211 1.226 1.00 0.00 C ATOM 1477 CD2 LEU A 101 5.881 -5.661 0.799 1.00 0.00 C ATOM 0 H LEU A 101 5.623 -5.244 5.439 1.00 0.00 H new ATOM 0 HA LEU A 101 6.098 -6.843 3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.083 -3.994 3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.430 -4.434 2.771 1.00 0.00 H new ATOM 0 HG LEU A 101 4.484 -4.770 2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.962 -3.148 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.300 -2.471 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.641 -3.014 0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.229 -5.564 -0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.918 -5.525 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.759 -6.652 1.235 1.00 0.00 H new ATOM 1489 N THR A 102 8.606 -7.100 3.139 1.00 0.00 N ATOM 1490 CA THR A 102 9.994 -7.491 3.346 1.00 0.00 C ATOM 1491 C THR A 102 10.787 -7.412 2.047 1.00 0.00 C ATOM 1492 O THR A 102 10.302 -7.813 0.988 1.00 0.00 O ATOM 1493 CB THR A 102 10.097 -8.920 3.911 1.00 0.00 C ATOM 1494 OG1 THR A 102 9.598 -8.954 5.253 1.00 0.00 O ATOM 1495 CG2 THR A 102 11.537 -9.410 3.887 1.00 0.00 C ATOM 0 H THR A 102 8.222 -7.371 2.234 1.00 0.00 H new ATOM 0 HA THR A 102 10.415 -6.792 4.068 1.00 0.00 H new ATOM 0 HB THR A 102 9.496 -9.578 3.284 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.666 -9.866 5.604 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.584 -10.421 4.291 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.904 -9.412 2.861 1.00 0.00 H new ATOM 0 HG23 THR A 102 12.157 -8.748 4.492 1.00 0.00 H new ATOM 1503 N ILE A 103 12.008 -6.895 2.134 1.00 0.00 N ATOM 1504 CA ILE A 103 12.868 -6.766 0.964 1.00 0.00 C ATOM 1505 C ILE A 103 14.284 -7.241 1.269 1.00 0.00 C ATOM 1506 O ILE A 103 14.907 -6.791 2.230 1.00 0.00 O ATOM 1507 CB ILE A 103 12.923 -5.310 0.464 1.00 0.00 C ATOM 1508 CG1 ILE A 103 11.510 -4.779 0.217 1.00 0.00 C ATOM 1509 CG2 ILE A 103 13.759 -5.217 -0.804 1.00 0.00 C ATOM 1510 CD1 ILE A 103 11.401 -3.274 0.332 1.00 0.00 C ATOM 0 H ILE A 103 12.424 -6.559 3.002 1.00 0.00 H new ATOM 0 HA ILE A 103 12.437 -7.393 0.184 1.00 0.00 H new ATOM 0 HB ILE A 103 13.393 -4.695 1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 103 11.185 -5.084 -0.778 1.00 0.00 H new ATOM 0 HG13 ILE A 103 10.827 -5.240 0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.789 -4.182 -1.145 1.00 0.00 H new ATOM 0 HG22 ILE A 103 14.773 -5.560 -0.597 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.315 -5.842 -1.579 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.372 -2.968 0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.695 -2.963 1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 103 12.058 -2.805 -0.400 1.00 0.00 H new ATOM 1522 N GLN A 104 14.788 -8.151 0.442 1.00 0.00 N ATOM 1523 CA GLN A 104 16.132 -8.687 0.622 1.00 0.00 C ATOM 1524 C GLN A 104 17.116 -8.020 -0.333 1.00 0.00 C ATOM 1525 O GLN A 104 16.972 -8.112 -1.551 1.00 0.00 O ATOM 1526 CB GLN A 104 16.135 -10.200 0.402 1.00 0.00 C ATOM 1527 CG GLN A 104 15.311 -10.966 1.424 1.00 0.00 C ATOM 1528 CD GLN A 104 15.748 -12.411 1.562 1.00 0.00 C ATOM 1529 OE1 GLN A 104 16.782 -12.812 1.027 1.00 0.00 O ATOM 1530 NE2 GLN A 104 14.962 -13.201 2.283 1.00 0.00 N ATOM 0 H GLN A 104 14.286 -8.533 -0.360 1.00 0.00 H new ATOM 0 HA GLN A 104 16.446 -8.476 1.644 1.00 0.00 H new ATOM 0 HB2 GLN A 104 15.751 -10.414 -0.596 1.00 0.00 H new ATOM 0 HB3 GLN A 104 17.163 -10.561 0.433 1.00 0.00 H new ATOM 0 HG2 GLN A 104 15.391 -10.472 2.393 1.00 0.00 H new ATOM 0 HG3 GLN A 104 14.260 -10.934 1.135 1.00 0.00 H new ATOM 0 HE21 GLN A 104 14.114 -12.826 2.708 1.00 0.00 H new ATOM 0 HE22 GLN A 104 15.206 -14.183 2.412 1.00 0.00 H new ATOM 1539 N GLU A 105 18.116 -7.348 0.230 1.00 0.00 N ATOM 1540 CA GLU A 105 19.124 -6.665 -0.573 1.00 0.00 C ATOM 1541 C GLU A 105 19.787 -7.630 -1.551 1.00 0.00 C ATOM 1542 O GLU A 105 20.041 -8.788 -1.220 1.00 0.00 O ATOM 1543 CB GLU A 105 20.182 -6.028 0.330 1.00 0.00 C ATOM 1544 CG GLU A 105 19.767 -4.682 0.900 1.00 0.00 C ATOM 1545 CD GLU A 105 19.046 -4.808 2.228 1.00 0.00 C ATOM 1546 OE1 GLU A 105 18.488 -5.892 2.499 1.00 0.00 O ATOM 1547 OE2 GLU A 105 19.040 -3.823 2.996 1.00 0.00 O ATOM 0 H GLU A 105 18.249 -7.262 1.238 1.00 0.00 H new ATOM 0 HA GLU A 105 18.626 -5.882 -1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 105 20.403 -6.709 1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 105 21.104 -5.904 -0.237 1.00 0.00 H new ATOM 0 HG2 GLU A 105 20.651 -4.058 1.029 1.00 0.00 H new ATOM 0 HG3 GLU A 105 19.119 -4.173 0.186 1.00 0.00 H new