USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 581 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 88 HIS : no HD1:sc= -7.2! K(o=-11!,f=-3.9) USER MOD Set 1.2: A 89 ASN : amide:sc= -3.78 K(o=-11,f=-3.9) USER MOD Single : A 12 TYR OH : rot 101:sc= -1.2 USER MOD Single : A 13 GLN : amide:sc= -0.127 K(o=-0.13,f=-1.9!) USER MOD Single : A 14 GLN : amide:sc= -1.96 K(o=-2,f=-0.55) USER MOD Single : A 15 MET CE :methyl -159:sc= -8.02! (180deg=-9.74!) USER MOD Single : A 20 MET CE :methyl 158:sc= -8.3! (180deg=-12!) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 23 HIS : no HD1:sc= -0.0496 X(o=-0.05,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0775 X(o=-0.078,f=-0.43) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.704 K(o=-0.7,f=-0.036) USER MOD Single : A 56 LYS NZ :NH3+ -131:sc= -0.0862 (180deg=-0.556) USER MOD Single : A 57 ASN : amide:sc=-0.00465 X(o=-0.0047,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -159:sc=-0.00884 (180deg=-0.169) USER MOD Single : A 63 MET CE :methyl -174:sc= -4.91! (180deg=-5.26!) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -131:sc= -8.14! (180deg=-14.2!) USER MOD Single : A 72 ASN : amide:sc= -2.42! K(o=-2.4!,f=-0.99) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -147:sc= -12.2! (180deg=-13.6!) USER MOD Single : A 82 GLN : amide:sc=-0.00712 X(o=-0.0071,f=-0.057) USER MOD Single : A 84 MET CE :methyl 180:sc= -5.75! (180deg=-5.75!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= 0.845 K(o=0.84,f=-0.59) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc=-0.00312 X(o=-0.0031,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 11 6.226 -8.976 -6.919 1.00 0.00 N ATOM 146 CA CYS A 11 4.976 -8.361 -6.526 1.00 0.00 C ATOM 147 C CYS A 11 5.048 -6.874 -6.831 1.00 0.00 C ATOM 148 O CYS A 11 4.210 -6.345 -7.535 1.00 0.00 O ATOM 149 CB CYS A 11 4.685 -8.610 -5.047 1.00 0.00 C ATOM 150 SG CYS A 11 4.859 -10.340 -4.516 1.00 0.00 S ATOM 0 HA CYS A 11 4.156 -8.806 -7.090 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.356 -7.992 -4.450 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.669 -8.279 -4.830 1.00 0.00 H new ATOM 155 N TYR A 12 6.095 -6.223 -6.317 1.00 0.00 N ATOM 156 CA TYR A 12 6.307 -4.815 -6.549 1.00 0.00 C ATOM 157 C TYR A 12 6.158 -4.459 -8.025 1.00 0.00 C ATOM 158 O TYR A 12 5.655 -3.404 -8.376 1.00 0.00 O ATOM 159 CB TYR A 12 7.741 -4.516 -6.108 1.00 0.00 C ATOM 160 CG TYR A 12 8.095 -3.044 -6.101 1.00 0.00 C ATOM 161 CD1 TYR A 12 7.381 -2.149 -5.295 1.00 0.00 C ATOM 162 CD2 TYR A 12 9.137 -2.558 -6.901 1.00 0.00 C ATOM 163 CE1 TYR A 12 7.709 -0.780 -5.274 1.00 0.00 C ATOM 164 CE2 TYR A 12 9.470 -1.186 -6.893 1.00 0.00 C ATOM 165 CZ TYR A 12 8.747 -0.311 -6.080 1.00 0.00 C ATOM 166 OH TYR A 12 9.081 0.989 -6.062 1.00 0.00 O ATOM 0 H TYR A 12 6.807 -6.664 -5.735 1.00 0.00 H new ATOM 0 HA TYR A 12 5.569 -4.232 -5.997 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.893 -4.919 -5.107 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.430 -5.040 -6.770 1.00 0.00 H new ATOM 0 HD1 TYR A 12 6.569 -2.513 -4.682 1.00 0.00 H new ATOM 0 HD2 TYR A 12 9.691 -3.239 -7.530 1.00 0.00 H new ATOM 0 HE1 TYR A 12 7.162 -0.099 -4.639 1.00 0.00 H new ATOM 0 HE2 TYR A 12 10.276 -0.817 -7.510 1.00 0.00 H new ATOM 0 HH TYR A 12 9.880 1.114 -5.508 1.00 0.00 H new ATOM 176 N GLN A 13 6.616 -5.363 -8.881 1.00 0.00 N ATOM 177 CA GLN A 13 6.518 -5.186 -10.310 1.00 0.00 C ATOM 178 C GLN A 13 5.072 -5.290 -10.778 1.00 0.00 C ATOM 179 O GLN A 13 4.676 -4.677 -11.752 1.00 0.00 O ATOM 180 CB GLN A 13 7.401 -6.200 -11.045 1.00 0.00 C ATOM 181 CG GLN A 13 7.879 -5.633 -12.383 1.00 0.00 C ATOM 182 CD GLN A 13 9.264 -6.143 -12.741 1.00 0.00 C ATOM 183 OE1 GLN A 13 9.877 -6.942 -12.034 1.00 0.00 O ATOM 184 NE2 GLN A 13 9.767 -5.669 -13.871 1.00 0.00 N ATOM 0 H GLN A 13 7.063 -6.235 -8.598 1.00 0.00 H new ATOM 0 HA GLN A 13 6.876 -4.185 -10.549 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.260 -6.457 -10.426 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.843 -7.121 -11.214 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.175 -5.908 -13.168 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.893 -4.544 -12.334 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.229 -5.008 -14.431 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.692 -5.965 -14.181 1.00 0.00 H new ATOM 193 N GLN A 14 4.288 -6.104 -10.077 1.00 0.00 N ATOM 194 CA GLN A 14 2.891 -6.279 -10.384 1.00 0.00 C ATOM 195 C GLN A 14 2.064 -5.115 -9.861 1.00 0.00 C ATOM 196 O GLN A 14 0.995 -4.820 -10.381 1.00 0.00 O ATOM 197 CB GLN A 14 2.377 -7.605 -9.824 1.00 0.00 C ATOM 198 CG GLN A 14 2.725 -8.772 -10.751 1.00 0.00 C ATOM 199 CD GLN A 14 3.420 -9.884 -9.990 1.00 0.00 C ATOM 200 OE1 GLN A 14 3.044 -11.041 -10.014 1.00 0.00 O ATOM 201 NE2 GLN A 14 4.455 -9.495 -9.301 1.00 0.00 N ATOM 0 H GLN A 14 4.613 -6.656 -9.283 1.00 0.00 H new ATOM 0 HA GLN A 14 2.786 -6.302 -11.469 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.810 -7.779 -8.839 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.296 -7.552 -9.692 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.816 -9.157 -11.214 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.369 -8.421 -11.557 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.734 -8.514 -9.310 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.986 -10.171 -8.752 1.00 0.00 H new ATOM 210 N MET A 15 2.576 -4.448 -8.824 1.00 0.00 N ATOM 211 CA MET A 15 1.905 -3.322 -8.230 1.00 0.00 C ATOM 212 C MET A 15 1.655 -2.237 -9.263 1.00 0.00 C ATOM 213 O MET A 15 0.552 -1.739 -9.382 1.00 0.00 O ATOM 214 CB MET A 15 2.761 -2.748 -7.097 1.00 0.00 C ATOM 215 CG MET A 15 2.273 -3.243 -5.741 1.00 0.00 C ATOM 216 SD MET A 15 3.086 -4.773 -5.303 1.00 0.00 S ATOM 217 CE MET A 15 3.852 -4.276 -3.765 1.00 0.00 C ATOM 0 H MET A 15 3.465 -4.683 -8.384 1.00 0.00 H new ATOM 0 HA MET A 15 0.947 -3.663 -7.837 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.802 -3.037 -7.241 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.725 -1.659 -7.125 1.00 0.00 H new ATOM 0 HG2 MET A 15 2.470 -2.489 -4.979 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.194 -3.393 -5.769 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.681 -4.946 -3.538 1.00 0.00 H new ATOM 0 HE2 MET A 15 4.225 -3.256 -3.857 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.117 -4.322 -2.961 1.00 0.00 H new ATOM 227 N GLU A 16 2.703 -1.876 -9.998 1.00 0.00 N ATOM 228 CA GLU A 16 2.597 -0.854 -11.018 1.00 0.00 C ATOM 229 C GLU A 16 1.444 -1.166 -11.969 1.00 0.00 C ATOM 230 O GLU A 16 0.743 -0.266 -12.428 1.00 0.00 O ATOM 231 CB GLU A 16 3.917 -0.720 -11.788 1.00 0.00 C ATOM 232 CG GLU A 16 3.975 -1.696 -12.969 1.00 0.00 C ATOM 233 CD GLU A 16 5.393 -1.842 -13.495 1.00 0.00 C ATOM 234 OE1 GLU A 16 5.770 -1.033 -14.373 1.00 0.00 O ATOM 235 OE2 GLU A 16 6.105 -2.754 -13.015 1.00 0.00 O ATOM 0 H GLU A 16 3.634 -2.281 -9.901 1.00 0.00 H new ATOM 0 HA GLU A 16 2.390 0.099 -10.531 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.026 0.302 -12.152 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.754 -0.910 -11.115 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.598 -2.670 -12.657 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.323 -1.343 -13.768 1.00 0.00 H new ATOM 242 N GLU A 17 1.256 -2.460 -12.251 1.00 0.00 N ATOM 243 CA GLU A 17 0.205 -2.898 -13.128 1.00 0.00 C ATOM 244 C GLU A 17 -1.129 -2.912 -12.395 1.00 0.00 C ATOM 245 O GLU A 17 -2.192 -2.793 -13.005 1.00 0.00 O ATOM 246 CB GLU A 17 0.519 -4.286 -13.701 1.00 0.00 C ATOM 247 CG GLU A 17 -0.309 -4.551 -14.964 1.00 0.00 C ATOM 248 CD GLU A 17 -1.174 -5.799 -14.797 1.00 0.00 C ATOM 249 OE1 GLU A 17 -0.589 -6.906 -14.828 1.00 0.00 O ATOM 250 OE2 GLU A 17 -2.405 -5.627 -14.657 1.00 0.00 O ATOM 0 H GLU A 17 1.831 -3.214 -11.874 1.00 0.00 H new ATOM 0 HA GLU A 17 0.136 -2.194 -13.958 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.581 -4.356 -13.935 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.306 -5.050 -12.954 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.943 -3.690 -15.175 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.355 -4.676 -15.819 1.00 0.00 H new ATOM 257 N ALA A 18 -1.075 -3.029 -11.071 1.00 0.00 N ATOM 258 CA ALA A 18 -2.244 -3.047 -10.240 1.00 0.00 C ATOM 259 C ALA A 18 -2.057 -2.096 -9.075 1.00 0.00 C ATOM 260 O ALA A 18 -1.988 -2.527 -7.917 1.00 0.00 O ATOM 261 CB ALA A 18 -2.528 -4.480 -9.790 1.00 0.00 C ATOM 0 H ALA A 18 -0.201 -3.114 -10.552 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.114 -2.703 -10.799 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.416 -4.494 -9.158 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.694 -5.110 -10.664 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.676 -4.860 -9.226 1.00 0.00 H new ATOM 267 N GLU A 19 -1.963 -0.797 -9.381 1.00 0.00 N ATOM 268 CA GLU A 19 -1.755 0.214 -8.373 1.00 0.00 C ATOM 269 C GLU A 19 -3.009 0.342 -7.521 1.00 0.00 C ATOM 270 O GLU A 19 -3.664 1.387 -7.455 1.00 0.00 O ATOM 271 CB GLU A 19 -1.384 1.555 -9.010 1.00 0.00 C ATOM 272 CG GLU A 19 -1.054 2.597 -7.936 1.00 0.00 C ATOM 273 CD GLU A 19 -1.089 4.009 -8.522 1.00 0.00 C ATOM 274 OE1 GLU A 19 -2.008 4.268 -9.331 1.00 0.00 O ATOM 275 OE2 GLU A 19 -0.228 4.814 -8.109 1.00 0.00 O ATOM 0 H GLU A 19 -2.030 -0.433 -10.331 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.922 -0.084 -7.736 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.527 1.424 -9.671 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.210 1.911 -9.626 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.769 2.520 -7.117 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.067 2.396 -7.518 1.00 0.00 H new ATOM 282 N MET A 20 -3.391 -0.742 -6.847 1.00 0.00 N ATOM 283 CA MET A 20 -4.546 -0.783 -6.005 1.00 0.00 C ATOM 284 C MET A 20 -4.252 -0.142 -4.661 1.00 0.00 C ATOM 285 O MET A 20 -5.166 0.119 -3.871 1.00 0.00 O ATOM 286 CB MET A 20 -4.989 -2.229 -5.798 1.00 0.00 C ATOM 287 CG MET A 20 -4.004 -2.993 -4.922 1.00 0.00 C ATOM 288 SD MET A 20 -3.636 -4.588 -5.640 1.00 0.00 S ATOM 289 CE MET A 20 -2.359 -5.148 -4.518 1.00 0.00 C ATOM 0 H MET A 20 -2.883 -1.626 -6.884 1.00 0.00 H new ATOM 0 HA MET A 20 -5.346 -0.225 -6.491 1.00 0.00 H new ATOM 0 HB2 MET A 20 -5.977 -2.246 -5.337 1.00 0.00 H new ATOM 0 HB3 MET A 20 -5.079 -2.725 -6.764 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.085 -2.417 -4.810 1.00 0.00 H new ATOM 0 HG3 MET A 20 -4.422 -3.124 -3.924 1.00 0.00 H new ATOM 0 HE1 MET A 20 -2.288 -6.235 -4.561 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.403 -4.711 -4.807 1.00 0.00 H new ATOM 0 HE3 MET A 20 -2.607 -4.840 -3.502 1.00 0.00 H new ATOM 299 N LEU A 21 -2.970 0.117 -4.404 1.00 0.00 N ATOM 300 CA LEU A 21 -2.541 0.718 -3.162 1.00 0.00 C ATOM 301 C LEU A 21 -2.620 2.229 -3.287 1.00 0.00 C ATOM 302 O LEU A 21 -2.191 2.956 -2.401 1.00 0.00 O ATOM 303 CB LEU A 21 -1.155 0.210 -2.772 1.00 0.00 C ATOM 304 CG LEU A 21 -0.866 -1.272 -3.060 1.00 0.00 C ATOM 305 CD1 LEU A 21 -2.064 -2.145 -2.689 1.00 0.00 C ATOM 306 CD2 LEU A 21 -0.436 -1.465 -4.511 1.00 0.00 C ATOM 0 H LEU A 21 -2.210 -0.086 -5.054 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.204 0.425 -2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.411 0.811 -3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.014 0.385 -1.705 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.035 -1.593 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.834 -3.189 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.282 -2.031 -1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.932 -1.838 -3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.236 -2.521 -4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.232 -1.126 -5.174 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.468 -0.886 -4.703 1.00 0.00 H new ATOM 318 N ASN A 22 -3.200 2.692 -4.401 1.00 0.00 N ATOM 319 CA ASN A 22 -3.353 4.098 -4.650 1.00 0.00 C ATOM 320 C ASN A 22 -4.772 4.515 -4.334 1.00 0.00 C ATOM 321 O ASN A 22 -5.003 5.539 -3.729 1.00 0.00 O ATOM 322 CB ASN A 22 -3.089 4.427 -6.118 1.00 0.00 C ATOM 323 CG ASN A 22 -3.583 5.824 -6.483 1.00 0.00 C ATOM 324 OD1 ASN A 22 -4.682 5.999 -6.997 1.00 0.00 O ATOM 325 ND2 ASN A 22 -2.778 6.806 -6.124 1.00 0.00 N ATOM 0 H ASN A 22 -3.568 2.093 -5.140 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.637 4.628 -4.021 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.020 4.355 -6.320 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.584 3.690 -6.750 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.059 7.775 -6.270 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.874 6.596 -5.700 1.00 0.00 H new ATOM 332 N HIS A 23 -5.740 3.691 -4.752 1.00 0.00 N ATOM 333 CA HIS A 23 -7.134 3.970 -4.518 1.00 0.00 C ATOM 334 C HIS A 23 -7.411 3.945 -3.021 1.00 0.00 C ATOM 335 O HIS A 23 -7.918 4.908 -2.449 1.00 0.00 O ATOM 336 CB HIS A 23 -8.013 2.985 -5.294 1.00 0.00 C ATOM 337 CG HIS A 23 -7.899 3.113 -6.796 1.00 0.00 C ATOM 338 ND1 HIS A 23 -8.913 3.580 -7.596 1.00 0.00 N ATOM 339 CD2 HIS A 23 -6.842 2.807 -7.605 1.00 0.00 C ATOM 340 CE1 HIS A 23 -8.489 3.562 -8.866 1.00 0.00 C ATOM 341 NE2 HIS A 23 -7.228 3.092 -8.889 1.00 0.00 N ATOM 0 H HIS A 23 -5.566 2.822 -5.257 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.381 4.966 -4.885 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.745 1.969 -5.005 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -9.053 3.135 -5.004 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.885 2.415 -7.293 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -9.062 3.872 -9.727 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -6.655 2.968 -9.724 1.00 0.00 H new ATOM 350 N CYS A 24 -7.070 2.821 -2.387 1.00 0.00 N ATOM 351 CA CYS A 24 -7.263 2.674 -0.960 1.00 0.00 C ATOM 352 C CYS A 24 -6.214 3.505 -0.232 1.00 0.00 C ATOM 353 O CYS A 24 -6.400 3.843 0.919 1.00 0.00 O ATOM 354 CB CYS A 24 -7.204 1.199 -0.545 1.00 0.00 C ATOM 355 SG CYS A 24 -8.790 0.522 0.047 1.00 0.00 S ATOM 0 H CYS A 24 -6.661 2.007 -2.846 1.00 0.00 H new ATOM 0 HA CYS A 24 -8.254 3.037 -0.687 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.865 0.608 -1.396 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.457 1.084 0.241 1.00 0.00 H new ATOM 360 N GLY A 25 -5.129 3.831 -0.939 1.00 0.00 N ATOM 361 CA GLY A 25 -4.060 4.624 -0.381 1.00 0.00 C ATOM 362 C GLY A 25 -4.432 6.095 -0.335 1.00 0.00 C ATOM 363 O GLY A 25 -4.197 6.780 0.659 1.00 0.00 O ATOM 0 H GLY A 25 -4.979 3.549 -1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.831 4.273 0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.157 4.493 -0.978 1.00 0.00 H new ATOM 367 N MET A 26 -5.060 6.580 -1.397 1.00 0.00 N ATOM 368 CA MET A 26 -5.471 7.955 -1.509 1.00 0.00 C ATOM 369 C MET A 26 -6.487 8.293 -0.440 1.00 0.00 C ATOM 370 O MET A 26 -6.405 9.332 0.205 1.00 0.00 O ATOM 371 CB MET A 26 -6.087 8.208 -2.889 1.00 0.00 C ATOM 372 CG MET A 26 -5.059 8.808 -3.844 1.00 0.00 C ATOM 373 SD MET A 26 -5.254 10.595 -3.900 1.00 0.00 S ATOM 374 CE MET A 26 -3.711 11.038 -4.703 1.00 0.00 C ATOM 0 H MET A 26 -5.297 6.014 -2.212 1.00 0.00 H new ATOM 0 HA MET A 26 -4.592 8.587 -1.379 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.467 7.272 -3.299 1.00 0.00 H new ATOM 0 HB3 MET A 26 -6.938 8.883 -2.794 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.051 8.553 -3.516 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.186 8.387 -4.841 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.660 12.120 -4.821 1.00 0.00 H new ATOM 0 HE2 MET A 26 -2.873 10.699 -4.093 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.662 10.564 -5.683 1.00 0.00 H new ATOM 384 N TYR A 27 -7.465 7.400 -0.257 1.00 0.00 N ATOM 385 CA TYR A 27 -8.491 7.582 0.740 1.00 0.00 C ATOM 386 C TYR A 27 -7.896 7.931 2.099 1.00 0.00 C ATOM 387 O TYR A 27 -8.518 8.629 2.896 1.00 0.00 O ATOM 388 CB TYR A 27 -9.230 6.246 0.850 1.00 0.00 C ATOM 389 CG TYR A 27 -10.349 6.235 1.871 1.00 0.00 C ATOM 390 CD1 TYR A 27 -11.460 7.075 1.710 1.00 0.00 C ATOM 391 CD2 TYR A 27 -10.287 5.390 2.988 1.00 0.00 C ATOM 392 CE1 TYR A 27 -12.505 7.069 2.658 1.00 0.00 C ATOM 393 CE2 TYR A 27 -11.326 5.379 3.939 1.00 0.00 C ATOM 394 CZ TYR A 27 -12.427 6.219 3.766 1.00 0.00 C ATOM 395 OH TYR A 27 -13.416 6.223 4.680 1.00 0.00 O ATOM 0 H TYR A 27 -7.556 6.541 -0.799 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.149 8.401 0.450 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.642 5.991 -0.126 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.512 5.467 1.107 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -11.516 7.731 0.854 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.434 4.741 3.121 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -13.360 7.717 2.529 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.271 4.725 4.797 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.211 5.576 5.387 1.00 0.00 H new ATOM 405 N LEU A 28 -6.680 7.452 2.335 1.00 0.00 N ATOM 406 CA LEU A 28 -5.988 7.702 3.573 1.00 0.00 C ATOM 407 C LEU A 28 -5.167 8.975 3.439 1.00 0.00 C ATOM 408 O LEU A 28 -4.946 9.686 4.398 1.00 0.00 O ATOM 409 CB LEU A 28 -5.143 6.485 3.972 1.00 0.00 C ATOM 410 CG LEU A 28 -5.715 5.119 3.574 1.00 0.00 C ATOM 411 CD1 LEU A 28 -4.590 4.112 3.334 1.00 0.00 C ATOM 412 CD2 LEU A 28 -6.716 4.623 4.611 1.00 0.00 C ATOM 0 H LEU A 28 -6.156 6.883 1.670 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.704 7.854 4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.155 6.589 3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.006 6.500 5.053 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.257 5.231 2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.017 3.149 3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.945 4.471 2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.004 3.996 4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.107 3.653 4.305 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.221 4.526 5.577 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.537 5.335 4.694 1.00 0.00 H new ATOM 424 N MET A 29 -4.760 9.298 2.219 1.00 0.00 N ATOM 425 CA MET A 29 -4.004 10.489 1.933 1.00 0.00 C ATOM 426 C MET A 29 -4.893 11.723 1.897 1.00 0.00 C ATOM 427 O MET A 29 -4.438 12.826 1.594 1.00 0.00 O ATOM 428 CB MET A 29 -3.289 10.333 0.593 1.00 0.00 C ATOM 429 CG MET A 29 -1.793 10.597 0.742 1.00 0.00 C ATOM 430 SD MET A 29 -1.073 10.991 -0.855 1.00 0.00 S ATOM 431 CE MET A 29 -0.913 12.772 -0.680 1.00 0.00 C ATOM 0 H MET A 29 -4.953 8.727 1.396 1.00 0.00 H new ATOM 0 HA MET A 29 -3.275 10.624 2.732 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.448 9.327 0.206 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.714 11.025 -0.134 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.629 11.421 1.437 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.302 9.721 1.165 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.478 13.189 -1.588 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.897 13.211 -0.514 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.267 12.998 0.168 1.00 0.00 H new ATOM 441 N LYS A 30 -6.181 11.529 2.204 1.00 0.00 N ATOM 442 CA LYS A 30 -7.134 12.610 2.220 1.00 0.00 C ATOM 443 C LYS A 30 -6.951 13.434 3.489 1.00 0.00 C ATOM 444 O LYS A 30 -7.322 14.603 3.528 1.00 0.00 O ATOM 445 CB LYS A 30 -8.553 12.061 2.050 1.00 0.00 C ATOM 446 CG LYS A 30 -9.035 12.256 0.605 1.00 0.00 C ATOM 447 CD LYS A 30 -10.565 12.204 0.532 1.00 0.00 C ATOM 448 CE LYS A 30 -11.027 11.679 -0.831 1.00 0.00 C ATOM 449 NZ LYS A 30 -11.599 12.770 -1.641 1.00 0.00 N ATOM 0 H LYS A 30 -6.575 10.620 2.445 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.962 13.282 1.379 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.573 11.002 2.306 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.230 12.568 2.737 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.680 13.214 0.224 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.609 11.482 -0.033 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.950 11.561 1.324 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.976 13.199 0.702 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.185 11.230 -1.358 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.770 10.894 -0.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.906 12.395 -2.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.415 13.180 -1.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.879 13.506 -1.790 1.00 0.00 H new ATOM 463 N ASN A 31 -6.387 12.801 4.514 1.00 0.00 N ATOM 464 CA ASN A 31 -6.133 13.458 5.776 1.00 0.00 C ATOM 465 C ASN A 31 -4.725 13.134 6.263 1.00 0.00 C ATOM 466 O ASN A 31 -4.371 13.434 7.398 1.00 0.00 O ATOM 467 CB ASN A 31 -7.137 12.995 6.834 1.00 0.00 C ATOM 468 CG ASN A 31 -6.849 11.561 7.268 1.00 0.00 C ATOM 469 OD1 ASN A 31 -6.033 11.287 8.132 1.00 0.00 O ATOM 470 ND2 ASN A 31 -7.555 10.643 6.624 1.00 0.00 N ATOM 0 H ASN A 31 -6.097 11.823 4.486 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.235 14.532 5.624 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.091 13.657 7.699 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.149 13.062 6.435 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.428 9.655 6.843 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.226 10.924 5.909 1.00 0.00 H new ATOM 758 N GLN A 49 -13.975 -0.817 -3.049 1.00 0.00 N ATOM 759 CA GLN A 49 -13.600 -2.206 -3.182 1.00 0.00 C ATOM 760 C GLN A 49 -12.607 -2.373 -4.313 1.00 0.00 C ATOM 761 O GLN A 49 -12.111 -3.451 -4.544 1.00 0.00 O ATOM 762 CB GLN A 49 -14.831 -3.086 -3.408 1.00 0.00 C ATOM 763 CG GLN A 49 -15.564 -3.350 -2.090 1.00 0.00 C ATOM 764 CD GLN A 49 -16.874 -4.091 -2.325 1.00 0.00 C ATOM 765 OE1 GLN A 49 -17.700 -3.701 -3.143 1.00 0.00 O ATOM 766 NE2 GLN A 49 -17.044 -5.172 -1.584 1.00 0.00 N ATOM 0 HA GLN A 49 -13.127 -2.525 -2.253 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -15.506 -2.600 -4.113 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.529 -4.032 -3.857 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.926 -3.935 -1.427 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -15.764 -2.404 -1.587 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -16.324 -5.452 -0.918 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -17.895 -5.726 -1.678 1.00 0.00 H new ATOM 775 N LEU A 50 -12.296 -1.272 -4.999 1.00 0.00 N ATOM 776 CA LEU A 50 -11.364 -1.289 -6.099 1.00 0.00 C ATOM 777 C LEU A 50 -10.010 -1.792 -5.604 1.00 0.00 C ATOM 778 O LEU A 50 -9.247 -2.388 -6.355 1.00 0.00 O ATOM 779 CB LEU A 50 -11.285 0.096 -6.757 1.00 0.00 C ATOM 780 CG LEU A 50 -12.576 0.927 -6.709 1.00 0.00 C ATOM 781 CD1 LEU A 50 -12.567 1.850 -5.492 1.00 0.00 C ATOM 782 CD2 LEU A 50 -12.775 1.698 -8.007 1.00 0.00 C ATOM 0 H LEU A 50 -12.688 -0.352 -4.799 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.707 -1.976 -6.873 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.490 0.664 -6.273 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.995 -0.033 -7.800 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.425 0.251 -6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -13.488 2.433 -5.471 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.494 1.253 -4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.712 2.524 -5.553 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -13.696 2.278 -7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.932 2.370 -8.164 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -12.840 0.998 -8.840 1.00 0.00 H new ATOM 794 N CYS A 51 -9.733 -1.543 -4.317 1.00 0.00 N ATOM 795 CA CYS A 51 -8.501 -1.981 -3.712 1.00 0.00 C ATOM 796 C CYS A 51 -8.656 -3.425 -3.267 1.00 0.00 C ATOM 797 O CYS A 51 -7.830 -4.259 -3.595 1.00 0.00 O ATOM 798 CB CYS A 51 -8.108 -1.075 -2.543 1.00 0.00 C ATOM 799 SG CYS A 51 -9.322 -0.993 -1.188 1.00 0.00 S ATOM 0 H CYS A 51 -10.357 -1.039 -3.687 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.696 -1.918 -4.444 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.157 -1.422 -2.138 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.943 -0.067 -2.924 1.00 0.00 H new ATOM 804 N CYS A 52 -9.759 -3.707 -2.565 1.00 0.00 N ATOM 805 CA CYS A 52 -10.035 -5.048 -2.095 1.00 0.00 C ATOM 806 C CYS A 52 -10.245 -5.961 -3.300 1.00 0.00 C ATOM 807 O CYS A 52 -10.245 -7.178 -3.180 1.00 0.00 O ATOM 808 CB CYS A 52 -11.241 -5.065 -1.152 1.00 0.00 C ATOM 809 SG CYS A 52 -11.259 -6.452 0.034 1.00 0.00 S ATOM 0 H CYS A 52 -10.468 -3.018 -2.315 1.00 0.00 H new ATOM 0 HA CYS A 52 -9.185 -5.415 -1.519 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -11.264 -4.128 -0.595 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -12.152 -5.103 -1.749 1.00 0.00 H new ATOM 814 N MET A 53 -10.408 -5.352 -4.479 1.00 0.00 N ATOM 815 CA MET A 53 -10.626 -6.066 -5.698 1.00 0.00 C ATOM 816 C MET A 53 -9.307 -6.393 -6.364 1.00 0.00 C ATOM 817 O MET A 53 -8.912 -7.544 -6.419 1.00 0.00 O ATOM 818 CB MET A 53 -11.485 -5.231 -6.652 1.00 0.00 C ATOM 819 CG MET A 53 -11.769 -5.997 -7.940 1.00 0.00 C ATOM 820 SD MET A 53 -11.451 -4.944 -9.361 1.00 0.00 S ATOM 821 CE MET A 53 -10.679 -6.139 -10.455 1.00 0.00 C ATOM 0 H MET A 53 -10.389 -4.339 -4.593 1.00 0.00 H new ATOM 0 HA MET A 53 -11.145 -6.995 -5.462 1.00 0.00 H new ATOM 0 HB2 MET A 53 -12.424 -4.968 -6.166 1.00 0.00 H new ATOM 0 HB3 MET A 53 -10.974 -4.297 -6.885 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.143 -6.888 -7.989 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.805 -6.335 -7.951 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.413 -5.654 -11.394 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.779 -6.535 -9.984 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.375 -6.955 -10.652 1.00 0.00 H new ATOM 831 N GLN A 54 -8.639 -5.361 -6.886 1.00 0.00 N ATOM 832 CA GLN A 54 -7.369 -5.537 -7.554 1.00 0.00 C ATOM 833 C GLN A 54 -6.437 -6.390 -6.709 1.00 0.00 C ATOM 834 O GLN A 54 -5.654 -7.162 -7.227 1.00 0.00 O ATOM 835 CB GLN A 54 -6.725 -4.181 -7.850 1.00 0.00 C ATOM 836 CG GLN A 54 -7.270 -3.584 -9.147 1.00 0.00 C ATOM 837 CD GLN A 54 -6.294 -3.791 -10.302 1.00 0.00 C ATOM 838 OE1 GLN A 54 -6.174 -4.874 -10.850 1.00 0.00 O ATOM 839 NE2 GLN A 54 -5.614 -2.710 -10.646 1.00 0.00 N ATOM 0 H GLN A 54 -8.967 -4.396 -6.853 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.547 -6.049 -8.499 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.915 -3.497 -7.023 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.644 -4.297 -7.926 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.227 -4.046 -9.389 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.455 -2.519 -9.010 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.762 -1.834 -10.146 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.941 -2.753 -11.412 1.00 0.00 H new ATOM 848 N LEU A 55 -6.533 -6.235 -5.386 1.00 0.00 N ATOM 849 CA LEU A 55 -5.722 -7.002 -4.471 1.00 0.00 C ATOM 850 C LEU A 55 -5.923 -8.491 -4.721 1.00 0.00 C ATOM 851 O LEU A 55 -5.000 -9.283 -4.573 1.00 0.00 O ATOM 852 CB LEU A 55 -6.029 -6.596 -3.033 1.00 0.00 C ATOM 853 CG LEU A 55 -5.124 -5.496 -2.452 1.00 0.00 C ATOM 854 CD1 LEU A 55 -5.946 -4.437 -1.703 1.00 0.00 C ATOM 855 CD2 LEU A 55 -4.038 -6.096 -1.554 1.00 0.00 C ATOM 0 H LEU A 55 -7.171 -5.579 -4.935 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.667 -6.790 -4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.064 -6.257 -2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.952 -7.479 -2.399 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.628 -4.997 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.278 -3.673 -1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.656 -3.976 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.488 -4.909 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.412 -5.297 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.505 -6.636 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.423 -6.783 -2.136 1.00 0.00 H new ATOM 867 N LYS A 56 -7.137 -8.862 -5.118 1.00 0.00 N ATOM 868 CA LYS A 56 -7.471 -10.228 -5.439 1.00 0.00 C ATOM 869 C LYS A 56 -6.943 -10.585 -6.826 1.00 0.00 C ATOM 870 O LYS A 56 -7.137 -11.698 -7.311 1.00 0.00 O ATOM 871 CB LYS A 56 -8.976 -10.458 -5.269 1.00 0.00 C ATOM 872 CG LYS A 56 -9.354 -11.892 -5.658 1.00 0.00 C ATOM 873 CD LYS A 56 -10.325 -12.500 -4.648 1.00 0.00 C ATOM 874 CE LYS A 56 -10.840 -13.856 -5.136 1.00 0.00 C ATOM 875 NZ LYS A 56 -11.618 -13.700 -6.381 1.00 0.00 N ATOM 0 H LYS A 56 -7.915 -8.211 -5.224 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.981 -10.909 -4.743 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.263 -10.269 -4.235 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.529 -9.751 -5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.807 -11.895 -6.649 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.455 -12.505 -5.716 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.828 -12.620 -3.686 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.164 -11.823 -4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.000 -14.529 -5.308 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.463 -14.313 -4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.522 -14.206 -6.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.802 -12.691 -6.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.079 -14.093 -7.179 1.00 0.00 H new ATOM 889 N ASN A 57 -6.302 -9.633 -7.476 1.00 0.00 N ATOM 890 CA ASN A 57 -5.734 -9.821 -8.784 1.00 0.00 C ATOM 891 C ASN A 57 -4.249 -10.136 -8.665 1.00 0.00 C ATOM 892 O ASN A 57 -3.675 -10.766 -9.542 1.00 0.00 O ATOM 893 CB ASN A 57 -5.895 -8.563 -9.645 1.00 0.00 C ATOM 894 CG ASN A 57 -6.435 -8.895 -11.020 1.00 0.00 C ATOM 895 OD1 ASN A 57 -5.912 -9.725 -11.749 1.00 0.00 O ATOM 896 ND2 ASN A 57 -7.547 -8.246 -11.351 1.00 0.00 N ATOM 0 H ASN A 57 -6.163 -8.696 -7.099 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.262 -10.649 -9.257 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.568 -7.865 -9.148 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.932 -8.062 -9.743 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.999 -8.433 -12.246 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.948 -7.561 -10.710 1.00 0.00 H new ATOM 903 N LEU A 58 -3.641 -9.662 -7.570 1.00 0.00 N ATOM 904 CA LEU A 58 -2.240 -9.884 -7.329 1.00 0.00 C ATOM 905 C LEU A 58 -2.010 -11.359 -7.036 1.00 0.00 C ATOM 906 O LEU A 58 -1.751 -12.126 -7.947 1.00 0.00 O ATOM 907 CB LEU A 58 -1.738 -8.951 -6.218 1.00 0.00 C ATOM 908 CG LEU A 58 -0.830 -7.807 -6.688 1.00 0.00 C ATOM 909 CD1 LEU A 58 -0.164 -7.125 -5.485 1.00 0.00 C ATOM 910 CD2 LEU A 58 0.210 -8.304 -7.681 1.00 0.00 C ATOM 0 H LEU A 58 -4.113 -9.123 -6.845 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.654 -9.639 -8.215 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.601 -8.523 -5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.196 -9.546 -5.483 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.447 -7.070 -7.202 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.477 -6.316 -5.834 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.932 -6.721 -4.825 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.436 -7.854 -4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.839 -7.471 -7.996 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.828 -9.067 -7.209 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.291 -8.730 -8.550 1.00 0.00 H new ATOM 922 N ASP A 59 -2.109 -11.723 -5.754 1.00 0.00 N ATOM 923 CA ASP A 59 -1.912 -13.085 -5.328 1.00 0.00 C ATOM 924 C ASP A 59 -1.733 -13.117 -3.825 1.00 0.00 C ATOM 925 O ASP A 59 -1.206 -12.174 -3.229 1.00 0.00 O ATOM 926 CB ASP A 59 -0.658 -13.692 -5.975 1.00 0.00 C ATOM 927 CG ASP A 59 -0.925 -14.909 -6.864 1.00 0.00 C ATOM 928 OD1 ASP A 59 -1.694 -14.775 -7.832 1.00 0.00 O ATOM 929 OD2 ASP A 59 -0.356 -15.976 -6.531 1.00 0.00 O ATOM 0 H ASP A 59 -2.327 -11.075 -4.997 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.785 -13.664 -5.630 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.165 -12.924 -6.571 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.038 -13.980 -5.187 1.00 0.00 H new ATOM 934 N GLU A 60 -2.134 -14.227 -3.210 1.00 0.00 N ATOM 935 CA GLU A 60 -2.005 -14.400 -1.778 1.00 0.00 C ATOM 936 C GLU A 60 -0.541 -14.403 -1.367 1.00 0.00 C ATOM 937 O GLU A 60 -0.207 -14.310 -0.184 1.00 0.00 O ATOM 938 CB GLU A 60 -2.698 -15.687 -1.321 1.00 0.00 C ATOM 939 CG GLU A 60 -3.819 -15.377 -0.322 1.00 0.00 C ATOM 940 CD GLU A 60 -4.676 -16.613 -0.061 1.00 0.00 C ATOM 941 OE1 GLU A 60 -4.109 -17.601 0.456 1.00 0.00 O ATOM 942 OE2 GLU A 60 -5.883 -16.550 -0.384 1.00 0.00 O ATOM 0 H GLU A 60 -2.553 -15.022 -3.692 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.495 -13.558 -1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.109 -16.210 -2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.969 -16.354 -0.861 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.389 -15.024 0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.444 -14.572 -0.709 1.00 0.00 H new ATOM 949 N LYS A 61 0.350 -14.505 -2.363 1.00 0.00 N ATOM 950 CA LYS A 61 1.769 -14.495 -2.125 1.00 0.00 C ATOM 951 C LYS A 61 2.296 -13.076 -2.234 1.00 0.00 C ATOM 952 O LYS A 61 3.354 -12.766 -1.700 1.00 0.00 O ATOM 953 CB LYS A 61 2.457 -15.477 -3.077 1.00 0.00 C ATOM 954 CG LYS A 61 3.979 -15.387 -2.939 1.00 0.00 C ATOM 955 CD LYS A 61 4.600 -16.771 -2.745 1.00 0.00 C ATOM 956 CE LYS A 61 5.069 -16.963 -1.301 1.00 0.00 C ATOM 957 NZ LYS A 61 6.239 -16.128 -1.025 1.00 0.00 N ATOM 0 H LYS A 61 0.092 -14.596 -3.346 1.00 0.00 H new ATOM 0 HA LYS A 61 1.992 -14.833 -1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.127 -16.493 -2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.166 -15.259 -4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.400 -14.918 -3.828 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.233 -14.750 -2.092 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.871 -17.540 -3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.443 -16.894 -3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.263 -16.707 -0.614 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.314 -18.011 -1.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.752 -16.510 -0.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.866 -16.124 -1.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.931 -15.156 -0.819 1.00 0.00 H new ATOM 971 N CYS A 62 1.559 -12.217 -2.922 1.00 0.00 N ATOM 972 CA CYS A 62 1.924 -10.834 -3.085 1.00 0.00 C ATOM 973 C CYS A 62 0.993 -9.975 -2.241 1.00 0.00 C ATOM 974 O CYS A 62 1.016 -8.748 -2.309 1.00 0.00 O ATOM 975 CB CYS A 62 1.898 -10.427 -4.560 1.00 0.00 C ATOM 976 SG CYS A 62 3.242 -11.145 -5.557 1.00 0.00 S ATOM 0 H CYS A 62 0.685 -12.471 -3.383 1.00 0.00 H new ATOM 0 HA CYS A 62 2.947 -10.683 -2.741 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.942 -10.725 -4.991 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.952 -9.340 -4.626 1.00 0.00 H new ATOM 981 N MET A 63 0.174 -10.624 -1.415 1.00 0.00 N ATOM 982 CA MET A 63 -0.765 -9.949 -0.565 1.00 0.00 C ATOM 983 C MET A 63 -0.280 -9.945 0.869 1.00 0.00 C ATOM 984 O MET A 63 -0.920 -10.450 1.766 1.00 0.00 O ATOM 985 CB MET A 63 -2.125 -10.627 -0.654 1.00 0.00 C ATOM 986 CG MET A 63 -2.941 -10.089 -1.822 1.00 0.00 C ATOM 987 SD MET A 63 -4.676 -10.487 -1.615 1.00 0.00 S ATOM 988 CE MET A 63 -4.550 -12.230 -1.242 1.00 0.00 C ATOM 0 H MET A 63 0.155 -11.640 -1.327 1.00 0.00 H new ATOM 0 HA MET A 63 -0.857 -8.916 -0.901 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.990 -11.703 -0.768 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.672 -10.471 0.276 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.816 -9.009 -1.893 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.574 -10.514 -2.756 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.549 -12.664 -1.188 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.979 -12.729 -2.025 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.045 -12.362 -0.285 1.00 0.00 H new ATOM 998 N CYS A 64 0.886 -9.357 1.094 1.00 0.00 N ATOM 999 CA CYS A 64 1.482 -9.286 2.413 1.00 0.00 C ATOM 1000 C CYS A 64 2.904 -8.747 2.279 1.00 0.00 C ATOM 1001 O CYS A 64 3.241 -7.732 2.888 1.00 0.00 O ATOM 1002 CB CYS A 64 1.469 -10.657 3.119 1.00 0.00 C ATOM 1003 SG CYS A 64 3.003 -11.055 4.024 1.00 0.00 S ATOM 0 H CYS A 64 1.444 -8.916 0.363 1.00 0.00 H new ATOM 0 HA CYS A 64 0.893 -8.612 3.035 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.632 -10.684 3.817 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.289 -11.433 2.375 1.00 0.00 H new ATOM 1008 N PRO A 65 3.715 -9.434 1.446 1.00 0.00 N ATOM 1009 CA PRO A 65 5.083 -9.034 1.205 1.00 0.00 C ATOM 1010 C PRO A 65 5.162 -7.814 0.313 1.00 0.00 C ATOM 1011 O PRO A 65 6.026 -6.955 0.463 1.00 0.00 O ATOM 1012 CB PRO A 65 5.783 -10.252 0.621 1.00 0.00 C ATOM 1013 CG PRO A 65 4.662 -11.145 0.103 1.00 0.00 C ATOM 1014 CD PRO A 65 3.359 -10.636 0.691 1.00 0.00 C ATOM 0 HA PRO A 65 5.578 -8.725 2.125 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.464 -9.968 -0.182 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.378 -10.765 1.377 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.626 -11.121 -0.986 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.834 -12.182 0.393 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.637 -10.408 -0.093 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.901 -11.385 1.338 1.00 0.00 H new ATOM 1022 N ALA A 66 4.237 -7.746 -0.644 1.00 0.00 N ATOM 1023 CA ALA A 66 4.182 -6.647 -1.570 1.00 0.00 C ATOM 1024 C ALA A 66 3.752 -5.387 -0.839 1.00 0.00 C ATOM 1025 O ALA A 66 4.373 -4.338 -1.000 1.00 0.00 O ATOM 1026 CB ALA A 66 3.231 -6.997 -2.711 1.00 0.00 C ATOM 0 H ALA A 66 3.515 -8.452 -0.788 1.00 0.00 H new ATOM 0 HA ALA A 66 5.167 -6.461 -1.998 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.186 -6.166 -3.415 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.591 -7.889 -3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.235 -7.186 -2.310 1.00 0.00 H new ATOM 1032 N ILE A 67 2.695 -5.512 -0.033 1.00 0.00 N ATOM 1033 CA ILE A 67 2.180 -4.391 0.728 1.00 0.00 C ATOM 1034 C ILE A 67 3.340 -3.571 1.282 1.00 0.00 C ATOM 1035 O ILE A 67 3.302 -2.346 1.285 1.00 0.00 O ATOM 1036 CB ILE A 67 1.233 -4.890 1.826 1.00 0.00 C ATOM 1037 CG1 ILE A 67 0.038 -5.637 1.213 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.789 -3.736 2.721 1.00 0.00 C ATOM 1039 CD1 ILE A 67 -1.271 -4.890 1.453 1.00 0.00 C ATOM 0 H ILE A 67 2.184 -6.384 0.104 1.00 0.00 H new ATOM 0 HA ILE A 67 1.598 -3.736 0.080 1.00 0.00 H new ATOM 0 HB ILE A 67 1.770 -5.599 2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.196 -5.761 0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.028 -6.636 1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.118 -4.112 3.493 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.662 -3.282 3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.269 -2.989 2.121 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.095 -5.447 1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.441 -4.789 2.525 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.214 -3.900 1.000 1.00 0.00 H new ATOM 1051 N MET A 68 4.398 -4.265 1.709 1.00 0.00 N ATOM 1052 CA MET A 68 5.575 -3.619 2.224 1.00 0.00 C ATOM 1053 C MET A 68 6.152 -2.636 1.221 1.00 0.00 C ATOM 1054 O MET A 68 6.160 -1.439 1.449 1.00 0.00 O ATOM 1055 CB MET A 68 6.634 -4.671 2.565 1.00 0.00 C ATOM 1056 CG MET A 68 6.921 -4.692 4.060 1.00 0.00 C ATOM 1057 SD MET A 68 5.616 -5.578 4.922 1.00 0.00 S ATOM 1058 CE MET A 68 6.460 -5.929 6.465 1.00 0.00 C ATOM 0 H MET A 68 4.449 -5.284 1.702 1.00 0.00 H new ATOM 0 HA MET A 68 5.290 -3.068 3.120 1.00 0.00 H new ATOM 0 HB2 MET A 68 6.292 -5.654 2.243 1.00 0.00 H new ATOM 0 HB3 MET A 68 7.552 -4.458 2.018 1.00 0.00 H new ATOM 0 HG2 MET A 68 7.882 -5.170 4.248 1.00 0.00 H new ATOM 0 HG3 MET A 68 6.992 -3.673 4.440 1.00 0.00 H new ATOM 0 HE1 MET A 68 5.792 -6.480 7.128 1.00 0.00 H new ATOM 0 HE2 MET A 68 7.349 -6.528 6.266 1.00 0.00 H new ATOM 0 HE3 MET A 68 6.753 -4.993 6.941 1.00 0.00 H new ATOM 1068 N MET A 69 6.614 -3.157 0.084 1.00 0.00 N ATOM 1069 CA MET A 69 7.176 -2.337 -0.960 1.00 0.00 C ATOM 1070 C MET A 69 6.190 -1.275 -1.418 1.00 0.00 C ATOM 1071 O MET A 69 6.591 -0.252 -1.936 1.00 0.00 O ATOM 1072 CB MET A 69 7.558 -3.223 -2.149 1.00 0.00 C ATOM 1073 CG MET A 69 8.797 -4.056 -1.837 1.00 0.00 C ATOM 1074 SD MET A 69 10.214 -2.981 -1.577 1.00 0.00 S ATOM 1075 CE MET A 69 11.329 -4.135 -0.781 1.00 0.00 C ATOM 0 H MET A 69 6.604 -4.155 -0.127 1.00 0.00 H new ATOM 0 HA MET A 69 8.059 -1.835 -0.564 1.00 0.00 H new ATOM 0 HB2 MET A 69 6.726 -3.882 -2.398 1.00 0.00 H new ATOM 0 HB3 MET A 69 7.745 -2.601 -3.025 1.00 0.00 H new ATOM 0 HG2 MET A 69 8.623 -4.662 -0.948 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.998 -4.744 -2.658 1.00 0.00 H new ATOM 0 HE1 MET A 69 12.267 -3.632 -0.547 1.00 0.00 H new ATOM 0 HE2 MET A 69 10.875 -4.503 0.139 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.524 -4.973 -1.450 1.00 0.00 H new ATOM 1085 N MET A 70 4.900 -1.537 -1.215 1.00 0.00 N ATOM 1086 CA MET A 70 3.862 -0.618 -1.588 1.00 0.00 C ATOM 1087 C MET A 70 3.928 0.630 -0.719 1.00 0.00 C ATOM 1088 O MET A 70 3.891 1.747 -1.208 1.00 0.00 O ATOM 1089 CB MET A 70 2.501 -1.302 -1.457 1.00 0.00 C ATOM 1090 CG MET A 70 1.435 -0.331 -0.950 1.00 0.00 C ATOM 1091 SD MET A 70 0.208 -1.203 0.032 1.00 0.00 S ATOM 1092 CE MET A 70 -0.681 0.193 0.712 1.00 0.00 C ATOM 0 H MET A 70 4.560 -2.397 -0.786 1.00 0.00 H new ATOM 0 HA MET A 70 4.002 -0.315 -2.626 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.199 -1.703 -2.424 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.581 -2.147 -0.773 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.902 0.450 -0.350 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.952 0.161 -1.794 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.791 0.065 1.789 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.127 1.110 0.510 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.667 0.256 0.252 1.00 0.00 H new ATOM 1102 N LEU A 71 3.929 0.414 0.606 1.00 0.00 N ATOM 1103 CA LEU A 71 3.950 1.503 1.551 1.00 0.00 C ATOM 1104 C LEU A 71 5.390 1.960 1.746 1.00 0.00 C ATOM 1105 O LEU A 71 5.676 2.748 2.640 1.00 0.00 O ATOM 1106 CB LEU A 71 3.255 1.098 2.856 1.00 0.00 C ATOM 1107 CG LEU A 71 1.835 0.543 2.693 1.00 0.00 C ATOM 1108 CD1 LEU A 71 1.713 -0.817 3.371 1.00 0.00 C ATOM 1109 CD2 LEU A 71 0.799 1.529 3.233 1.00 0.00 C ATOM 0 H LEU A 71 3.915 -0.513 1.032 1.00 0.00 H new ATOM 0 HA LEU A 71 3.386 2.353 1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.866 0.347 3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.215 1.967 3.513 1.00 0.00 H new ATOM 0 HG LEU A 71 1.637 0.408 1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.699 -1.196 3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.419 -1.513 2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.933 -0.715 4.434 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.200 1.113 3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.985 1.709 4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.872 2.469 2.687 1.00 0.00 H new ATOM 1121 N ASN A 72 6.296 1.413 0.938 1.00 0.00 N ATOM 1122 CA ASN A 72 7.696 1.746 0.996 1.00 0.00 C ATOM 1123 C ASN A 72 8.181 2.185 -0.377 1.00 0.00 C ATOM 1124 O ASN A 72 9.371 2.437 -0.573 1.00 0.00 O ATOM 1125 CB ASN A 72 8.524 0.541 1.452 1.00 0.00 C ATOM 1126 CG ASN A 72 8.313 0.249 2.923 1.00 0.00 C ATOM 1127 OD1 ASN A 72 9.232 0.271 3.732 1.00 0.00 O ATOM 1128 ND2 ASN A 72 7.071 0.007 3.295 1.00 0.00 N ATOM 0 H ASN A 72 6.066 0.722 0.223 1.00 0.00 H new ATOM 0 HA ASN A 72 7.821 2.557 1.713 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.250 -0.334 0.863 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.581 0.732 1.266 1.00 0.00 H new ATOM 0 HD21 ASN A 72 6.858 -0.168 4.277 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.324 -0.006 2.601 1.00 0.00 H new ATOM 1135 N GLU A 73 7.253 2.251 -1.328 1.00 0.00 N ATOM 1136 CA GLU A 73 7.570 2.630 -2.677 1.00 0.00 C ATOM 1137 C GLU A 73 7.873 4.123 -2.748 1.00 0.00 C ATOM 1138 O GLU A 73 7.784 4.829 -1.731 1.00 0.00 O ATOM 1139 CB GLU A 73 6.433 2.246 -3.635 1.00 0.00 C ATOM 1140 CG GLU A 73 5.460 3.412 -3.841 1.00 0.00 C ATOM 1141 CD GLU A 73 4.288 2.999 -4.719 1.00 0.00 C ATOM 1142 OE1 GLU A 73 4.446 3.070 -5.954 1.00 0.00 O ATOM 1143 OE2 GLU A 73 3.250 2.617 -4.130 1.00 0.00 O ATOM 0 H GLU A 73 6.267 2.042 -1.173 1.00 0.00 H new ATOM 0 HA GLU A 73 8.461 2.086 -2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.850 1.944 -4.596 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.894 1.386 -3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.091 3.757 -2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.984 4.250 -4.300 1.00 0.00 H new ATOM 1150 N PRO A 74 8.216 4.602 -3.959 1.00 0.00 N ATOM 1151 CA PRO A 74 8.480 6.000 -4.201 1.00 0.00 C ATOM 1152 C PRO A 74 7.223 6.847 -4.173 1.00 0.00 C ATOM 1153 O PRO A 74 7.031 7.720 -5.019 1.00 0.00 O ATOM 1154 CB PRO A 74 9.231 6.064 -5.519 1.00 0.00 C ATOM 1155 CG PRO A 74 8.907 4.751 -6.230 1.00 0.00 C ATOM 1156 CD PRO A 74 8.306 3.821 -5.196 1.00 0.00 C ATOM 0 HA PRO A 74 9.085 6.430 -3.403 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.913 6.922 -6.112 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.304 6.169 -5.356 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.208 4.919 -7.049 1.00 0.00 H new ATOM 0 HG3 PRO A 74 9.807 4.315 -6.663 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.322 3.471 -5.510 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.929 2.938 -5.056 1.00 0.00 H new ATOM 1164 N MET A 75 6.359 6.587 -3.196 1.00 0.00 N ATOM 1165 CA MET A 75 5.115 7.292 -3.058 1.00 0.00 C ATOM 1166 C MET A 75 4.435 6.959 -1.745 1.00 0.00 C ATOM 1167 O MET A 75 3.222 7.055 -1.650 1.00 0.00 O ATOM 1168 CB MET A 75 4.190 6.926 -4.222 1.00 0.00 C ATOM 1169 CG MET A 75 3.243 8.082 -4.544 1.00 0.00 C ATOM 1170 SD MET A 75 3.879 9.026 -5.936 1.00 0.00 S ATOM 1171 CE MET A 75 3.341 10.666 -5.460 1.00 0.00 C ATOM 0 H MET A 75 6.515 5.876 -2.481 1.00 0.00 H new ATOM 0 HA MET A 75 5.325 8.361 -3.069 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.784 6.680 -5.102 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.613 6.037 -3.969 1.00 0.00 H new ATOM 0 HG2 MET A 75 2.251 7.696 -4.778 1.00 0.00 H new ATOM 0 HG3 MET A 75 3.136 8.729 -3.673 1.00 0.00 H new ATOM 0 HE1 MET A 75 3.653 11.385 -6.217 1.00 0.00 H new ATOM 0 HE2 MET A 75 2.255 10.681 -5.371 1.00 0.00 H new ATOM 0 HE3 MET A 75 3.787 10.931 -4.502 1.00 0.00 H new ATOM 1181 N TRP A 76 5.232 6.584 -0.743 1.00 0.00 N ATOM 1182 CA TRP A 76 4.727 6.235 0.560 1.00 0.00 C ATOM 1183 C TRP A 76 5.886 6.202 1.536 1.00 0.00 C ATOM 1184 O TRP A 76 6.260 5.166 2.060 1.00 0.00 O ATOM 1185 CB TRP A 76 3.953 4.912 0.500 1.00 0.00 C ATOM 1186 CG TRP A 76 2.664 4.957 -0.282 1.00 0.00 C ATOM 1187 CD1 TRP A 76 2.388 4.366 -1.474 1.00 0.00 C ATOM 1188 CD2 TRP A 76 1.486 5.711 0.046 1.00 0.00 C ATOM 1189 NE1 TRP A 76 1.102 4.669 -1.910 1.00 0.00 N ATOM 1190 CE2 TRP A 76 0.518 5.509 -0.983 1.00 0.00 C ATOM 1191 CE3 TRP A 76 1.171 6.522 1.137 1.00 0.00 C ATOM 1192 CZ2 TRP A 76 -0.746 6.092 -0.941 1.00 0.00 C ATOM 1193 CZ3 TRP A 76 -0.099 7.114 1.162 1.00 0.00 C ATOM 1194 CH2 TRP A 76 -1.049 6.908 0.152 1.00 0.00 C ATOM 0 H TRP A 76 6.246 6.518 -0.826 1.00 0.00 H new ATOM 0 HA TRP A 76 4.015 6.983 0.909 1.00 0.00 H new ATOM 0 HB2 TRP A 76 4.599 4.151 0.062 1.00 0.00 H new ATOM 0 HB3 TRP A 76 3.731 4.593 1.518 1.00 0.00 H new ATOM 0 HD1 TRP A 76 3.081 3.739 -2.016 1.00 0.00 H new ATOM 0 HE1 TRP A 76 0.666 4.329 -2.767 1.00 0.00 H new ATOM 0 HE3 TRP A 76 1.881 6.688 1.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -1.467 5.919 -1.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -0.356 7.755 1.993 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -2.018 7.381 0.219 1.00 0.00 H new ATOM 1205 N ILE A 77 6.463 7.382 1.792 1.00 0.00 N ATOM 1206 CA ILE A 77 7.616 7.492 2.662 1.00 0.00 C ATOM 1207 C ILE A 77 7.116 7.904 4.031 1.00 0.00 C ATOM 1208 O ILE A 77 6.579 7.101 4.779 1.00 0.00 O ATOM 1209 CB ILE A 77 8.670 8.445 2.073 1.00 0.00 C ATOM 1210 CG1 ILE A 77 9.333 7.835 0.834 1.00 0.00 C ATOM 1211 CG2 ILE A 77 9.711 8.833 3.132 1.00 0.00 C ATOM 1212 CD1 ILE A 77 8.295 7.292 -0.148 1.00 0.00 C ATOM 0 H ILE A 77 6.142 8.269 1.404 1.00 0.00 H new ATOM 0 HA ILE A 77 8.132 6.537 2.755 1.00 0.00 H new ATOM 0 HB ILE A 77 8.162 9.357 1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.944 8.590 0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.003 7.031 1.138 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.445 9.507 2.691 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.215 9.332 3.965 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.214 7.936 3.494 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.801 6.867 -1.015 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.701 6.519 0.340 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.641 8.102 -0.471 1.00 0.00 H new ATOM 1224 N ARG A 78 7.290 9.191 4.365 1.00 0.00 N ATOM 1225 CA ARG A 78 6.886 9.716 5.638 1.00 0.00 C ATOM 1226 C ARG A 78 5.380 9.809 5.703 1.00 0.00 C ATOM 1227 O ARG A 78 4.762 9.324 6.616 1.00 0.00 O ATOM 1228 CB ARG A 78 7.478 11.106 5.874 1.00 0.00 C ATOM 1229 CG ARG A 78 8.789 11.017 6.659 1.00 0.00 C ATOM 1230 CD ARG A 78 9.994 11.230 5.739 1.00 0.00 C ATOM 1231 NE ARG A 78 10.923 12.224 6.313 1.00 0.00 N ATOM 1232 CZ ARG A 78 11.937 12.786 5.662 1.00 0.00 C ATOM 1233 NH1 ARG A 78 12.174 12.457 4.402 1.00 0.00 N ATOM 1234 NH2 ARG A 78 12.713 13.667 6.268 1.00 0.00 N ATOM 0 H ARG A 78 7.716 9.881 3.747 1.00 0.00 H new ATOM 0 HA ARG A 78 7.254 9.039 6.410 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.655 11.597 4.917 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.764 11.722 6.421 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.795 11.766 7.451 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.863 10.042 7.141 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.514 10.284 5.589 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.654 11.566 4.759 1.00 0.00 H new ATOM 0 HE ARG A 78 10.775 12.501 7.284 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.579 11.774 3.933 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.951 12.887 3.900 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.536 13.919 7.240 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.489 14.095 5.764 1.00 0.00 H new ATOM 1248 N MET A 79 4.792 10.454 4.704 1.00 0.00 N ATOM 1249 CA MET A 79 3.353 10.606 4.623 1.00 0.00 C ATOM 1250 C MET A 79 2.642 9.284 4.876 1.00 0.00 C ATOM 1251 O MET A 79 1.494 9.261 5.298 1.00 0.00 O ATOM 1252 CB MET A 79 2.964 11.132 3.239 1.00 0.00 C ATOM 1253 CG MET A 79 4.005 10.740 2.186 1.00 0.00 C ATOM 1254 SD MET A 79 3.230 10.470 0.598 1.00 0.00 S ATOM 1255 CE MET A 79 2.495 8.879 0.902 1.00 0.00 C ATOM 0 H MET A 79 5.301 10.884 3.931 1.00 0.00 H new ATOM 0 HA MET A 79 3.047 11.316 5.392 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.989 10.734 2.956 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.868 12.217 3.273 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.756 11.525 2.100 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.525 9.835 2.501 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.490 8.298 -0.020 1.00 0.00 H new ATOM 0 HE2 MET A 79 3.072 8.350 1.660 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.471 9.012 1.252 1.00 0.00 H new ATOM 1265 N ARG A 80 3.353 8.176 4.615 1.00 0.00 N ATOM 1266 CA ARG A 80 2.828 6.863 4.841 1.00 0.00 C ATOM 1267 C ARG A 80 2.884 6.512 6.307 1.00 0.00 C ATOM 1268 O ARG A 80 2.075 5.755 6.771 1.00 0.00 O ATOM 1269 CB ARG A 80 3.602 5.824 4.028 1.00 0.00 C ATOM 1270 CG ARG A 80 3.785 4.523 4.816 1.00 0.00 C ATOM 1271 CD ARG A 80 4.943 4.644 5.817 1.00 0.00 C ATOM 1272 NE ARG A 80 6.028 3.717 5.484 1.00 0.00 N ATOM 1273 CZ ARG A 80 7.271 3.804 5.936 1.00 0.00 C ATOM 1274 NH1 ARG A 80 7.610 4.773 6.771 1.00 0.00 N ATOM 1275 NH2 ARG A 80 8.179 2.916 5.570 1.00 0.00 N ATOM 0 H ARG A 80 4.303 8.188 4.243 1.00 0.00 H new ATOM 0 HA ARG A 80 1.787 6.857 4.518 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.071 5.617 3.099 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.578 6.226 3.755 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.864 4.283 5.347 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.979 3.701 4.127 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.321 5.666 5.818 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.580 4.437 6.824 1.00 0.00 H new ATOM 0 HE ARG A 80 5.810 2.944 4.855 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.914 5.456 7.069 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.568 4.837 7.117 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.925 2.158 4.936 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.134 2.988 5.921 1.00 0.00 H new ATOM 1289 N ASP A 81 3.875 7.011 7.018 1.00 0.00 N ATOM 1290 CA ASP A 81 4.059 6.757 8.426 1.00 0.00 C ATOM 1291 C ASP A 81 2.702 6.753 9.123 1.00 0.00 C ATOM 1292 O ASP A 81 2.500 6.050 10.102 1.00 0.00 O ATOM 1293 CB ASP A 81 4.914 7.845 9.082 1.00 0.00 C ATOM 1294 CG ASP A 81 5.700 7.377 10.306 1.00 0.00 C ATOM 1295 OD1 ASP A 81 6.771 6.764 10.080 1.00 0.00 O ATOM 1296 OD2 ASP A 81 5.236 7.656 11.426 1.00 0.00 O ATOM 0 H ASP A 81 4.590 7.619 6.619 1.00 0.00 H new ATOM 0 HA ASP A 81 4.559 5.794 8.525 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.614 8.235 8.343 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.267 8.671 9.375 1.00 0.00 H new ATOM 1301 N GLN A 82 1.757 7.530 8.567 1.00 0.00 N ATOM 1302 CA GLN A 82 0.425 7.594 9.086 1.00 0.00 C ATOM 1303 C GLN A 82 -0.500 6.629 8.369 1.00 0.00 C ATOM 1304 O GLN A 82 -1.305 5.929 8.988 1.00 0.00 O ATOM 1305 CB GLN A 82 -0.101 9.022 8.992 1.00 0.00 C ATOM 1306 CG GLN A 82 0.966 10.045 9.373 1.00 0.00 C ATOM 1307 CD GLN A 82 0.450 11.469 9.242 1.00 0.00 C ATOM 1308 OE1 GLN A 82 -0.630 11.812 9.702 1.00 0.00 O ATOM 1309 NE2 GLN A 82 1.262 12.297 8.602 1.00 0.00 N ATOM 0 H GLN A 82 1.917 8.120 7.750 1.00 0.00 H new ATOM 0 HA GLN A 82 0.453 7.295 10.134 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -0.445 9.217 7.976 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -0.964 9.135 9.648 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.290 9.868 10.398 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.840 9.914 8.735 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.153 11.958 8.238 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.997 13.273 8.473 1.00 0.00 H new ATOM 1318 N VAL A 83 -0.375 6.571 7.048 1.00 0.00 N ATOM 1319 CA VAL A 83 -1.172 5.684 6.224 1.00 0.00 C ATOM 1320 C VAL A 83 -0.730 4.246 6.441 1.00 0.00 C ATOM 1321 O VAL A 83 -1.349 3.306 5.946 1.00 0.00 O ATOM 1322 CB VAL A 83 -1.104 6.114 4.755 1.00 0.00 C ATOM 1323 CG1 VAL A 83 -0.920 7.629 4.628 1.00 0.00 C ATOM 1324 CG2 VAL A 83 0.009 5.374 4.017 1.00 0.00 C ATOM 0 H VAL A 83 0.286 7.142 6.521 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.220 5.747 6.517 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.054 5.850 4.291 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.875 7.903 3.574 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.760 8.138 5.100 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.007 7.925 5.119 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.034 5.699 2.977 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.967 5.593 4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.178 4.301 4.058 1.00 0.00 H new ATOM 1334 N MET A 84 0.340 4.057 7.205 1.00 0.00 N ATOM 1335 CA MET A 84 0.901 2.777 7.488 1.00 0.00 C ATOM 1336 C MET A 84 0.035 2.048 8.494 1.00 0.00 C ATOM 1337 O MET A 84 0.043 0.824 8.557 1.00 0.00 O ATOM 1338 CB MET A 84 2.311 2.926 8.052 1.00 0.00 C ATOM 1339 CG MET A 84 3.317 2.123 7.230 1.00 0.00 C ATOM 1340 SD MET A 84 4.703 1.618 8.250 1.00 0.00 S ATOM 1341 CE MET A 84 5.243 3.226 8.845 1.00 0.00 C ATOM 0 H MET A 84 0.843 4.825 7.649 1.00 0.00 H new ATOM 0 HA MET A 84 0.947 2.206 6.560 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.596 3.978 8.055 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.330 2.588 9.088 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.830 1.244 6.807 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.674 2.724 6.393 1.00 0.00 H new ATOM 0 HE1 MET A 84 6.105 3.101 9.500 1.00 0.00 H new ATOM 0 HE2 MET A 84 5.519 3.854 7.998 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.432 3.700 9.399 1.00 0.00 H new ATOM 1351 N SER A 85 -0.733 2.811 9.275 1.00 0.00 N ATOM 1352 CA SER A 85 -1.619 2.250 10.267 1.00 0.00 C ATOM 1353 C SER A 85 -3.025 2.136 9.703 1.00 0.00 C ATOM 1354 O SER A 85 -3.978 1.850 10.434 1.00 0.00 O ATOM 1355 CB SER A 85 -1.632 3.103 11.536 1.00 0.00 C ATOM 1356 OG SER A 85 -1.356 2.313 12.690 1.00 0.00 O ATOM 0 H SER A 85 -0.750 3.830 9.229 1.00 0.00 H new ATOM 0 HA SER A 85 -1.254 1.257 10.528 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.891 3.898 11.451 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.604 3.583 11.645 1.00 0.00 H new ATOM 0 HG SER A 85 -1.369 2.883 13.487 1.00 0.00 H new ATOM 1362 N MET A 86 -3.151 2.316 8.386 1.00 0.00 N ATOM 1363 CA MET A 86 -4.420 2.227 7.716 1.00 0.00 C ATOM 1364 C MET A 86 -4.404 1.156 6.641 1.00 0.00 C ATOM 1365 O MET A 86 -5.361 0.408 6.475 1.00 0.00 O ATOM 1366 CB MET A 86 -4.752 3.578 7.077 1.00 0.00 C ATOM 1367 CG MET A 86 -5.311 4.552 8.111 1.00 0.00 C ATOM 1368 SD MET A 86 -6.851 3.913 8.784 1.00 0.00 S ATOM 1369 CE MET A 86 -7.387 5.345 9.719 1.00 0.00 C ATOM 0 H MET A 86 -2.368 2.527 7.768 1.00 0.00 H new ATOM 0 HA MET A 86 -5.176 1.960 8.454 1.00 0.00 H new ATOM 0 HB2 MET A 86 -3.855 4.000 6.623 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.478 3.437 6.276 1.00 0.00 H new ATOM 0 HG2 MET A 86 -4.587 4.700 8.913 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.481 5.526 7.652 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.336 5.126 10.208 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.638 5.588 10.473 1.00 0.00 H new ATOM 0 HE3 MET A 86 -7.513 6.193 9.046 1.00 0.00 H new ATOM 1379 N ALA A 87 -3.276 1.058 5.938 1.00 0.00 N ATOM 1380 CA ALA A 87 -3.105 0.075 4.892 1.00 0.00 C ATOM 1381 C ALA A 87 -2.559 -1.212 5.490 1.00 0.00 C ATOM 1382 O ALA A 87 -2.077 -2.077 4.783 1.00 0.00 O ATOM 1383 CB ALA A 87 -2.203 0.642 3.804 1.00 0.00 C ATOM 0 H ALA A 87 -2.465 1.659 6.084 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.063 -0.162 4.429 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.074 -0.099 3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.657 1.541 3.387 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.231 0.891 4.230 1.00 0.00 H new ATOM 1389 N HIS A 88 -2.616 -1.315 6.821 1.00 0.00 N ATOM 1390 CA HIS A 88 -2.144 -2.482 7.519 1.00 0.00 C ATOM 1391 C HIS A 88 -3.319 -3.354 7.926 1.00 0.00 C ATOM 1392 O HIS A 88 -3.182 -4.555 8.076 1.00 0.00 O ATOM 1393 CB HIS A 88 -1.275 -2.071 8.709 1.00 0.00 C ATOM 1394 CG HIS A 88 -2.042 -1.628 9.929 1.00 0.00 C ATOM 1395 ND1 HIS A 88 -1.790 -2.096 11.195 1.00 0.00 N ATOM 1396 CD2 HIS A 88 -3.076 -0.745 10.014 1.00 0.00 C ATOM 1397 CE1 HIS A 88 -2.641 -1.504 12.042 1.00 0.00 C ATOM 1398 NE2 HIS A 88 -3.434 -0.678 11.337 1.00 0.00 N ATOM 0 H HIS A 88 -2.991 -0.587 7.429 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.515 -3.078 6.858 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -0.638 -2.912 8.983 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.616 -1.260 8.397 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -3.527 -0.202 9.197 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -2.683 -1.663 13.109 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.179 -0.097 11.722 1.00 0.00 H new ATOM 1407 N ASN A 89 -4.476 -2.715 8.112 1.00 0.00 N ATOM 1408 CA ASN A 89 -5.685 -3.417 8.480 1.00 0.00 C ATOM 1409 C ASN A 89 -6.623 -3.490 7.292 1.00 0.00 C ATOM 1410 O ASN A 89 -7.524 -4.283 7.271 1.00 0.00 O ATOM 1411 CB ASN A 89 -6.407 -2.683 9.618 1.00 0.00 C ATOM 1412 CG ASN A 89 -5.931 -3.172 10.974 1.00 0.00 C ATOM 1413 OD1 ASN A 89 -6.692 -3.397 11.895 1.00 0.00 O ATOM 1414 ND2 ASN A 89 -4.617 -3.319 11.074 1.00 0.00 N ATOM 0 H ASN A 89 -4.590 -1.707 8.011 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.408 -4.420 8.805 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.231 -1.611 9.532 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.482 -2.837 9.530 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.204 -3.633 11.952 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.019 -3.118 10.273 1.00 0.00 H new ATOM 1421 N LEU A 90 -6.392 -2.627 6.307 1.00 0.00 N ATOM 1422 CA LEU A 90 -7.192 -2.603 5.107 1.00 0.00 C ATOM 1423 C LEU A 90 -6.992 -3.903 4.325 1.00 0.00 C ATOM 1424 O LEU A 90 -7.964 -4.557 3.953 1.00 0.00 O ATOM 1425 CB LEU A 90 -6.866 -1.350 4.278 1.00 0.00 C ATOM 1426 CG LEU A 90 -7.729 -0.120 4.597 1.00 0.00 C ATOM 1427 CD1 LEU A 90 -7.096 1.142 4.006 1.00 0.00 C ATOM 1428 CD2 LEU A 90 -9.160 -0.315 4.099 1.00 0.00 C ATOM 0 H LEU A 90 -5.646 -1.931 6.327 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.249 -2.543 5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.819 -1.091 4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.980 -1.592 3.221 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.775 0.002 5.679 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.719 2.005 4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.103 1.285 4.432 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.015 1.036 2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.752 0.569 4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.152 -0.467 3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.599 -1.186 4.585 1.00 0.00 H new ATOM 1440 N PRO A 91 -5.710 -4.259 4.095 1.00 0.00 N ATOM 1441 CA PRO A 91 -5.367 -5.477 3.395 1.00 0.00 C ATOM 1442 C PRO A 91 -5.593 -6.698 4.252 1.00 0.00 C ATOM 1443 O PRO A 91 -5.747 -7.794 3.769 1.00 0.00 O ATOM 1444 CB PRO A 91 -3.929 -5.314 2.947 1.00 0.00 C ATOM 1445 CG PRO A 91 -3.359 -4.222 3.840 1.00 0.00 C ATOM 1446 CD PRO A 91 -4.521 -3.530 4.516 1.00 0.00 C ATOM 0 HA PRO A 91 -6.010 -5.638 2.530 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.373 -6.245 3.058 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.873 -5.033 1.895 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -2.683 -4.648 4.582 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -2.779 -3.510 3.252 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.412 -3.550 5.600 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.579 -2.482 4.221 1.00 0.00 H new ATOM 1454 N ILE A 92 -5.602 -6.498 5.561 1.00 0.00 N ATOM 1455 CA ILE A 92 -5.809 -7.574 6.499 1.00 0.00 C ATOM 1456 C ILE A 92 -7.297 -7.848 6.647 1.00 0.00 C ATOM 1457 O ILE A 92 -7.727 -8.987 6.553 1.00 0.00 O ATOM 1458 CB ILE A 92 -5.123 -7.245 7.830 1.00 0.00 C ATOM 1459 CG1 ILE A 92 -3.649 -7.661 7.796 1.00 0.00 C ATOM 1460 CG2 ILE A 92 -5.875 -7.882 9.002 1.00 0.00 C ATOM 1461 CD1 ILE A 92 -3.184 -8.186 9.153 1.00 0.00 C ATOM 0 H ILE A 92 -5.466 -5.585 5.995 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.353 -8.492 6.128 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.151 -6.166 7.980 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.505 -8.431 7.038 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.036 -6.808 7.505 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.370 -7.635 9.936 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.896 -7.501 9.030 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -5.895 -8.964 8.876 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.134 -8.472 9.092 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.305 -7.407 9.905 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.781 -9.055 9.431 1.00 0.00 H new ATOM 1473 N GLU A 93 -8.066 -6.793 6.871 1.00 0.00 N ATOM 1474 CA GLU A 93 -9.500 -6.900 7.027 1.00 0.00 C ATOM 1475 C GLU A 93 -10.126 -7.479 5.764 1.00 0.00 C ATOM 1476 O GLU A 93 -11.265 -7.938 5.776 1.00 0.00 O ATOM 1477 CB GLU A 93 -10.126 -5.542 7.362 1.00 0.00 C ATOM 1478 CG GLU A 93 -9.985 -5.228 8.856 1.00 0.00 C ATOM 1479 CD GLU A 93 -11.352 -4.977 9.493 1.00 0.00 C ATOM 1480 OE1 GLU A 93 -12.098 -4.142 8.935 1.00 0.00 O ATOM 1481 OE2 GLU A 93 -11.621 -5.618 10.533 1.00 0.00 O ATOM 0 H GLU A 93 -7.709 -5.841 6.949 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.700 -7.573 7.860 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -9.644 -4.760 6.775 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.180 -5.545 7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.491 -6.058 9.361 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.351 -4.351 8.989 1.00 0.00 H new ATOM 1488 N CYS A 94 -9.357 -7.453 4.666 1.00 0.00 N ATOM 1489 CA CYS A 94 -9.808 -7.995 3.415 1.00 0.00 C ATOM 1490 C CYS A 94 -9.337 -9.434 3.296 1.00 0.00 C ATOM 1491 O CYS A 94 -9.789 -10.157 2.411 1.00 0.00 O ATOM 1492 CB CYS A 94 -9.323 -7.136 2.242 1.00 0.00 C ATOM 1493 SG CYS A 94 -10.452 -5.791 1.763 1.00 0.00 S ATOM 0 H CYS A 94 -8.418 -7.056 4.639 1.00 0.00 H new ATOM 0 HA CYS A 94 -10.897 -7.984 3.383 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -8.356 -6.705 2.501 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -9.163 -7.782 1.379 1.00 0.00 H new ATOM 1498 N ASN A 95 -8.421 -9.834 4.175 1.00 0.00 N ATOM 1499 CA ASN A 95 -7.879 -11.164 4.195 1.00 0.00 C ATOM 1500 C ASN A 95 -6.752 -11.259 3.173 1.00 0.00 C ATOM 1501 O ASN A 95 -6.442 -12.317 2.641 1.00 0.00 O ATOM 1502 CB ASN A 95 -8.953 -12.200 3.842 1.00 0.00 C ATOM 1503 CG ASN A 95 -8.660 -13.539 4.474 1.00 0.00 C ATOM 1504 OD1 ASN A 95 -9.451 -14.083 5.229 1.00 0.00 O ATOM 1505 ND2 ASN A 95 -7.493 -14.073 4.172 1.00 0.00 N ATOM 0 H ASN A 95 -8.038 -9.225 4.898 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.508 -11.370 5.199 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.927 -11.844 4.177 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.010 -12.312 2.759 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.224 -14.971 4.573 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.859 -13.588 3.537 1.00 0.00 H new ATOM 1512 N LEU A 96 -6.143 -10.134 2.860 1.00 0.00 N ATOM 1513 CA LEU A 96 -5.068 -10.065 1.905 1.00 0.00 C ATOM 1514 C LEU A 96 -3.768 -10.457 2.589 1.00 0.00 C ATOM 1515 O LEU A 96 -3.146 -11.442 2.214 1.00 0.00 O ATOM 1516 CB LEU A 96 -5.008 -8.682 1.239 1.00 0.00 C ATOM 1517 CG LEU A 96 -6.370 -8.059 0.897 1.00 0.00 C ATOM 1518 CD1 LEU A 96 -6.202 -6.616 0.437 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -7.120 -8.898 -0.128 1.00 0.00 C ATOM 0 H LEU A 96 -6.388 -9.233 3.270 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.244 -10.773 1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.471 -8.002 1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.424 -8.763 0.323 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.977 -8.047 1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.178 -6.194 0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.738 -6.032 1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.570 -6.588 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.080 -8.431 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.531 -8.967 -1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.287 -9.898 0.272 1.00 0.00 H new ATOM 1531 N MET A 97 -3.402 -9.702 3.628 1.00 0.00 N ATOM 1532 CA MET A 97 -2.194 -9.957 4.377 1.00 0.00 C ATOM 1533 C MET A 97 -2.492 -10.214 5.837 1.00 0.00 C ATOM 1534 O MET A 97 -1.629 -9.997 6.689 1.00 0.00 O ATOM 1535 CB MET A 97 -1.247 -8.771 4.236 1.00 0.00 C ATOM 1536 CG MET A 97 -1.754 -7.568 5.027 1.00 0.00 C ATOM 1537 SD MET A 97 -0.617 -6.200 4.864 1.00 0.00 S ATOM 1538 CE MET A 97 0.289 -6.362 6.401 1.00 0.00 C ATOM 0 H MET A 97 -3.940 -8.903 3.963 1.00 0.00 H new ATOM 0 HA MET A 97 -1.723 -10.853 3.972 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.254 -9.050 4.589 1.00 0.00 H new ATOM 0 HB3 MET A 97 -1.148 -8.503 3.184 1.00 0.00 H new ATOM 0 HG2 MET A 97 -2.740 -7.276 4.666 1.00 0.00 H new ATOM 0 HG3 MET A 97 -1.865 -7.835 6.078 1.00 0.00 H new ATOM 0 HE1 MET A 97 1.045 -5.579 6.462 1.00 0.00 H new ATOM 0 HE2 MET A 97 -0.399 -6.268 7.241 1.00 0.00 H new ATOM 0 HE3 MET A 97 0.773 -7.338 6.437 1.00 0.00 H new ATOM 1548 N SER A 98 -3.727 -10.651 6.118 1.00 0.00 N ATOM 1549 CA SER A 98 -4.155 -10.916 7.472 1.00 0.00 C ATOM 1550 C SER A 98 -2.997 -11.453 8.304 1.00 0.00 C ATOM 1551 O SER A 98 -2.453 -10.783 9.170 1.00 0.00 O ATOM 1552 CB SER A 98 -5.316 -11.911 7.493 1.00 0.00 C ATOM 1553 OG SER A 98 -5.866 -12.032 8.798 1.00 0.00 O ATOM 0 H SER A 98 -4.441 -10.825 5.411 1.00 0.00 H new ATOM 0 HA SER A 98 -4.496 -9.976 7.905 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.090 -11.585 6.798 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.969 -12.886 7.150 1.00 0.00 H new ATOM 0 HG SER A 98 -6.607 -12.673 8.782 1.00 0.00 H new ATOM 1559 N GLN A 99 -2.610 -12.688 8.031 1.00 0.00 N ATOM 1560 CA GLN A 99 -1.488 -13.311 8.693 1.00 0.00 C ATOM 1561 C GLN A 99 -0.935 -14.473 7.865 1.00 0.00 C ATOM 1562 O GLN A 99 -0.793 -15.590 8.368 1.00 0.00 O ATOM 1563 CB GLN A 99 -1.920 -13.768 10.087 1.00 0.00 C ATOM 1564 CG GLN A 99 -0.945 -13.258 11.151 1.00 0.00 C ATOM 1565 CD GLN A 99 -0.523 -14.378 12.088 1.00 0.00 C ATOM 1566 OE1 GLN A 99 -1.305 -14.909 12.866 1.00 0.00 O ATOM 1567 NE2 GLN A 99 0.750 -14.732 12.002 1.00 0.00 N ATOM 0 H GLN A 99 -3.069 -13.284 7.342 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.680 -12.586 8.795 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.924 -13.400 10.301 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.965 -14.857 10.120 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -0.065 -12.832 10.668 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.413 -12.457 11.724 1.00 0.00 H new ATOM 0 HE21 GLN A 99 1.366 -14.262 11.339 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.114 -15.475 12.599 1.00 0.00 H new ATOM 1576 N PRO A 100 -0.647 -14.192 6.581 1.00 0.00 N ATOM 1577 CA PRO A 100 -0.107 -15.186 5.680 1.00 0.00 C ATOM 1578 C PRO A 100 1.344 -15.496 5.987 1.00 0.00 C ATOM 1579 O PRO A 100 1.697 -16.601 6.396 1.00 0.00 O ATOM 1580 CB PRO A 100 -0.330 -14.649 4.274 1.00 0.00 C ATOM 1581 CG PRO A 100 -0.542 -13.146 4.449 1.00 0.00 C ATOM 1582 CD PRO A 100 -0.791 -12.894 5.925 1.00 0.00 C ATOM 0 HA PRO A 100 -0.610 -16.146 5.793 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.528 -14.854 3.633 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.196 -15.117 3.806 1.00 0.00 H new ATOM 0 HG2 PRO A 100 0.332 -12.592 4.107 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.389 -12.805 3.853 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.078 -12.173 6.324 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.787 -12.482 6.089 1.00 0.00 H new ATOM 1590 N CYS A 101 2.194 -14.490 5.772 1.00 0.00 N ATOM 1591 CA CYS A 101 3.606 -14.626 6.023 1.00 0.00 C ATOM 1592 C CYS A 101 3.831 -14.627 7.529 1.00 0.00 C ATOM 1593 O CYS A 101 3.392 -13.712 8.233 1.00 0.00 O ATOM 1594 CB CYS A 101 4.404 -13.517 5.328 1.00 0.00 C ATOM 1595 SG CYS A 101 3.667 -12.914 3.765 1.00 0.00 S ATOM 0 H CYS A 101 1.915 -13.573 5.423 1.00 0.00 H new ATOM 0 HA CYS A 101 3.965 -15.567 5.607 1.00 0.00 H new ATOM 0 HB2 CYS A 101 4.506 -12.676 6.014 1.00 0.00 H new ATOM 0 HB3 CYS A 101 5.409 -13.885 5.122 1.00 0.00 H new