USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 528 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 13 LYS NZ :NH3+ -151:sc= -0.0972 (180deg=-1.03) USER MOD Single : A 16 THR OG1 : rot -71:sc= -4! USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.448 F(o=-1.5,f=-0.45) USER MOD Single : A 22 ASN :FLIP amide:sc= -2.26! C(o=-9.7!,f=-2.3!) USER MOD Single : A 23 LYS NZ :NH3+ -158:sc= -0.141 (180deg=-0.709) USER MOD Single : A 24 THR OG1 : rot -160:sc= 0.0125 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 131:sc= -1.19 (180deg=-2.44!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0.00715 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.392 F(o=-2.9!,f=-0.39) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc=-0.00809 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 123:sc= 1.11 USER MOD Single : A 67 SER OG : rot 180:sc= -0.448 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -179:sc= 0 (180deg=-0.00218) USER MOD ----------------------------------------------------------------- ATOM 104 N CYS A 8 13.267 -3.145 10.260 1.00 0.00 N ATOM 105 CA CYS A 8 12.320 -2.753 9.179 1.00 0.00 C ATOM 106 C CYS A 8 11.899 -3.983 8.370 1.00 0.00 C ATOM 107 O CYS A 8 10.820 -4.027 7.816 1.00 0.00 O ATOM 108 CB CYS A 8 13.010 -1.743 8.260 1.00 0.00 C ATOM 109 SG CYS A 8 11.959 -1.392 6.833 1.00 0.00 S ATOM 0 HA CYS A 8 11.429 -2.307 9.622 1.00 0.00 H new ATOM 0 HB2 CYS A 8 13.216 -0.822 8.806 1.00 0.00 H new ATOM 0 HB3 CYS A 8 13.970 -2.138 7.927 1.00 0.00 H new ATOM 114 N GLU A 9 12.730 -4.989 8.295 1.00 0.00 N ATOM 115 CA GLU A 9 12.335 -6.212 7.510 1.00 0.00 C ATOM 116 C GLU A 9 11.546 -7.163 8.413 1.00 0.00 C ATOM 117 O GLU A 9 10.752 -7.959 7.951 1.00 0.00 O ATOM 118 CB GLU A 9 13.567 -6.955 6.951 1.00 0.00 C ATOM 119 CG GLU A 9 14.312 -6.058 5.954 1.00 0.00 C ATOM 120 CD GLU A 9 15.716 -6.620 5.710 1.00 0.00 C ATOM 121 OE1 GLU A 9 16.457 -6.747 6.671 1.00 0.00 O ATOM 122 OE2 GLU A 9 16.024 -6.913 4.566 1.00 0.00 O ATOM 0 H GLU A 9 13.651 -5.025 8.732 1.00 0.00 H new ATOM 0 HA GLU A 9 11.723 -5.886 6.669 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.233 -7.238 7.767 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.255 -7.877 6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.762 -6.005 5.015 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.378 -5.042 6.342 1.00 0.00 H new ATOM 129 N PHE A 10 11.756 -7.088 9.698 1.00 0.00 N ATOM 130 CA PHE A 10 11.022 -7.992 10.628 1.00 0.00 C ATOM 131 C PHE A 10 9.603 -7.471 10.860 1.00 0.00 C ATOM 132 O PHE A 10 8.678 -8.235 11.053 1.00 0.00 O ATOM 133 CB PHE A 10 11.765 -8.059 11.964 1.00 0.00 C ATOM 134 CG PHE A 10 10.998 -8.934 12.926 1.00 0.00 C ATOM 135 CD1 PHE A 10 11.068 -10.328 12.812 1.00 0.00 C ATOM 136 CD2 PHE A 10 10.216 -8.353 13.933 1.00 0.00 C ATOM 137 CE1 PHE A 10 10.358 -11.140 13.704 1.00 0.00 C ATOM 138 CE2 PHE A 10 9.506 -9.165 14.824 1.00 0.00 C ATOM 139 CZ PHE A 10 9.577 -10.559 14.710 1.00 0.00 C ATOM 0 H PHE A 10 12.404 -6.440 10.145 1.00 0.00 H new ATOM 0 HA PHE A 10 10.967 -8.987 10.187 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.768 -8.458 11.814 1.00 0.00 H new ATOM 0 HB3 PHE A 10 11.879 -7.058 12.379 1.00 0.00 H new ATOM 0 HD1 PHE A 10 11.670 -10.777 12.036 1.00 0.00 H new ATOM 0 HD2 PHE A 10 10.161 -7.278 14.021 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.413 -12.215 13.616 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.903 -8.717 15.600 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.029 -11.186 15.398 1.00 0.00 H new ATOM 149 N LEU A 11 9.419 -6.180 10.855 1.00 0.00 N ATOM 150 CA LEU A 11 8.055 -5.626 11.089 1.00 0.00 C ATOM 151 C LEU A 11 7.223 -5.714 9.811 1.00 0.00 C ATOM 152 O LEU A 11 6.062 -6.069 9.842 1.00 0.00 O ATOM 153 CB LEU A 11 8.161 -4.160 11.512 1.00 0.00 C ATOM 154 CG LEU A 11 8.818 -4.056 12.892 1.00 0.00 C ATOM 155 CD1 LEU A 11 9.045 -2.578 13.224 1.00 0.00 C ATOM 156 CD2 LEU A 11 7.915 -4.703 13.966 1.00 0.00 C ATOM 0 H LEU A 11 10.151 -5.486 10.700 1.00 0.00 H new ATOM 0 HA LEU A 11 7.573 -6.206 11.876 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.746 -3.604 10.779 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.169 -3.708 11.538 1.00 0.00 H new ATOM 0 HG LEU A 11 9.772 -4.583 12.880 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.513 -2.493 14.205 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.696 -2.132 12.472 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.088 -2.056 13.232 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.394 -4.622 14.942 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.954 -4.190 13.990 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.759 -5.754 13.725 1.00 0.00 H new ATOM 168 N VAL A 12 7.791 -5.374 8.689 1.00 0.00 N ATOM 169 CA VAL A 12 7.003 -5.425 7.429 1.00 0.00 C ATOM 170 C VAL A 12 6.629 -6.869 7.100 1.00 0.00 C ATOM 171 O VAL A 12 5.627 -7.106 6.468 1.00 0.00 O ATOM 172 CB VAL A 12 7.808 -4.834 6.270 1.00 0.00 C ATOM 173 CG1 VAL A 12 6.918 -4.759 5.026 1.00 0.00 C ATOM 174 CG2 VAL A 12 8.294 -3.419 6.636 1.00 0.00 C ATOM 0 H VAL A 12 8.758 -5.066 8.590 1.00 0.00 H new ATOM 0 HA VAL A 12 6.095 -4.838 7.570 1.00 0.00 H new ATOM 0 HB VAL A 12 8.672 -5.468 6.071 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.487 -4.338 4.197 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.577 -5.760 4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.056 -4.125 5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.866 -3.005 5.806 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.434 -2.780 6.839 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.926 -3.469 7.523 1.00 0.00 H new ATOM 184 N LYS A 13 7.419 -7.838 7.510 1.00 0.00 N ATOM 185 CA LYS A 13 7.072 -9.260 7.194 1.00 0.00 C ATOM 186 C LYS A 13 5.989 -9.761 8.167 1.00 0.00 C ATOM 187 O LYS A 13 5.163 -10.583 7.823 1.00 0.00 O ATOM 188 CB LYS A 13 8.346 -10.138 7.238 1.00 0.00 C ATOM 189 CG LYS A 13 8.774 -10.521 8.683 1.00 0.00 C ATOM 190 CD LYS A 13 8.701 -12.042 8.922 1.00 0.00 C ATOM 191 CE LYS A 13 7.258 -12.454 9.195 1.00 0.00 C ATOM 192 NZ LYS A 13 7.215 -13.897 9.564 1.00 0.00 N ATOM 0 H LYS A 13 8.278 -7.706 8.043 1.00 0.00 H new ATOM 0 HA LYS A 13 6.665 -9.326 6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.173 -11.048 6.664 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.164 -9.606 6.752 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.791 -10.174 8.864 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.131 -10.010 9.399 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.082 -12.575 8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.333 -12.317 9.766 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.842 -11.849 10.001 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.644 -12.275 8.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.300 -14.301 9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.983 -14.403 9.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.333 -13.996 10.593 1.00 0.00 H new ATOM 206 N GLU A 14 5.980 -9.253 9.374 1.00 0.00 N ATOM 207 CA GLU A 14 4.950 -9.683 10.370 1.00 0.00 C ATOM 208 C GLU A 14 3.611 -9.043 10.009 1.00 0.00 C ATOM 209 O GLU A 14 2.641 -9.717 9.718 1.00 0.00 O ATOM 210 CB GLU A 14 5.372 -9.232 11.771 1.00 0.00 C ATOM 211 CG GLU A 14 4.408 -9.814 12.806 1.00 0.00 C ATOM 212 CD GLU A 14 4.918 -9.499 14.213 1.00 0.00 C ATOM 213 OE1 GLU A 14 5.656 -8.537 14.354 1.00 0.00 O ATOM 214 OE2 GLU A 14 4.563 -10.225 15.128 1.00 0.00 O ATOM 0 H GLU A 14 6.644 -8.557 9.714 1.00 0.00 H new ATOM 0 HA GLU A 14 4.855 -10.769 10.356 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.390 -9.562 11.980 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.372 -8.144 11.830 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.412 -9.395 12.667 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.322 -10.892 12.672 1.00 0.00 H new ATOM 221 N VAL A 15 3.551 -7.740 10.003 1.00 0.00 N ATOM 222 CA VAL A 15 2.281 -7.049 9.633 1.00 0.00 C ATOM 223 C VAL A 15 1.701 -7.752 8.411 1.00 0.00 C ATOM 224 O VAL A 15 0.517 -7.988 8.322 1.00 0.00 O ATOM 225 CB VAL A 15 2.566 -5.575 9.329 1.00 0.00 C ATOM 226 CG1 VAL A 15 3.365 -5.454 8.029 1.00 0.00 C ATOM 227 CG2 VAL A 15 1.241 -4.823 9.190 1.00 0.00 C ATOM 0 H VAL A 15 4.327 -7.122 10.239 1.00 0.00 H new ATOM 0 HA VAL A 15 1.565 -7.091 10.454 1.00 0.00 H new ATOM 0 HB VAL A 15 3.148 -5.145 10.144 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.563 -4.403 7.820 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.310 -5.988 8.131 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.792 -5.885 7.208 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.439 -3.773 8.974 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.660 -5.258 8.377 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.679 -4.902 10.120 1.00 0.00 H new ATOM 237 N THR A 16 2.549 -8.143 7.500 1.00 0.00 N ATOM 238 CA THR A 16 2.069 -8.884 6.311 1.00 0.00 C ATOM 239 C THR A 16 1.281 -10.105 6.798 1.00 0.00 C ATOM 240 O THR A 16 0.207 -10.384 6.320 1.00 0.00 O ATOM 241 CB THR A 16 3.290 -9.323 5.477 1.00 0.00 C ATOM 242 OG1 THR A 16 4.450 -8.955 6.176 1.00 0.00 O ATOM 243 CG2 THR A 16 3.268 -8.630 4.108 1.00 0.00 C ATOM 0 H THR A 16 3.555 -7.979 7.532 1.00 0.00 H new ATOM 0 HA THR A 16 1.425 -8.262 5.690 1.00 0.00 H new ATOM 0 HB THR A 16 3.268 -10.401 5.319 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.552 -7.981 6.150 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.134 -8.946 3.526 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.355 -8.902 3.577 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.299 -7.549 4.247 1.00 0.00 H new ATOM 251 N LYS A 17 1.811 -10.830 7.755 1.00 0.00 N ATOM 252 CA LYS A 17 1.087 -12.030 8.276 1.00 0.00 C ATOM 253 C LYS A 17 -0.387 -11.677 8.480 1.00 0.00 C ATOM 254 O LYS A 17 -1.268 -12.473 8.221 1.00 0.00 O ATOM 255 CB LYS A 17 1.701 -12.483 9.606 1.00 0.00 C ATOM 256 CG LYS A 17 3.126 -12.988 9.358 1.00 0.00 C ATOM 257 CD LYS A 17 3.777 -13.405 10.687 1.00 0.00 C ATOM 258 CE LYS A 17 3.328 -14.819 11.079 1.00 0.00 C ATOM 259 NZ LYS A 17 4.112 -15.276 12.260 1.00 0.00 N ATOM 0 H LYS A 17 2.711 -10.642 8.196 1.00 0.00 H new ATOM 0 HA LYS A 17 1.174 -12.844 7.556 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.714 -11.655 10.315 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.095 -13.273 10.050 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.106 -13.835 8.672 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.719 -12.207 8.883 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.863 -13.374 10.594 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.504 -12.699 11.471 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.263 -14.823 11.312 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.475 -15.504 10.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.810 -16.234 12.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.124 -15.286 12.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.950 -14.627 13.056 1.00 0.00 H new ATOM 273 N LEU A 18 -0.663 -10.471 8.910 1.00 0.00 N ATOM 274 CA LEU A 18 -2.096 -10.049 9.093 1.00 0.00 C ATOM 275 C LEU A 18 -2.548 -9.353 7.803 1.00 0.00 C ATOM 276 O LEU A 18 -3.484 -9.770 7.153 1.00 0.00 O ATOM 277 CB LEU A 18 -2.262 -9.089 10.310 1.00 0.00 C ATOM 278 CG LEU A 18 -0.960 -8.991 11.108 1.00 0.00 C ATOM 279 CD1 LEU A 18 -1.087 -7.855 12.124 1.00 0.00 C ATOM 280 CD2 LEU A 18 -0.711 -10.318 11.837 1.00 0.00 C ATOM 0 H LEU A 18 0.032 -9.762 9.142 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.709 -10.927 9.295 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.555 -8.099 9.960 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.063 -9.449 10.956 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.124 -8.789 10.438 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.164 -7.776 12.699 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.270 -6.917 11.600 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.918 -8.061 12.799 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.216 -10.252 12.407 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.540 -10.522 12.515 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.632 -11.124 11.108 1.00 0.00 H new ATOM 292 N ILE A 19 -1.869 -8.311 7.411 1.00 0.00 N ATOM 293 CA ILE A 19 -2.233 -7.603 6.157 1.00 0.00 C ATOM 294 C ILE A 19 -2.414 -8.654 5.050 1.00 0.00 C ATOM 295 O ILE A 19 -3.076 -8.427 4.057 1.00 0.00 O ATOM 296 CB ILE A 19 -1.069 -6.635 5.829 1.00 0.00 C ATOM 297 CG1 ILE A 19 -1.424 -5.193 6.216 1.00 0.00 C ATOM 298 CG2 ILE A 19 -0.683 -6.670 4.347 1.00 0.00 C ATOM 299 CD1 ILE A 19 -0.155 -4.318 6.208 1.00 0.00 C ATOM 0 H ILE A 19 -1.072 -7.918 7.911 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.160 -7.038 6.250 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.216 -6.976 6.417 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.158 -4.790 5.518 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.882 -5.175 7.205 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.137 -5.975 4.168 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.369 -7.678 4.076 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.542 -6.382 3.740 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.416 -3.296 6.484 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.565 -4.715 6.924 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.285 -4.324 5.211 1.00 0.00 H new ATOM 311 N ASP A 20 -1.813 -9.800 5.225 1.00 0.00 N ATOM 312 CA ASP A 20 -1.920 -10.871 4.201 1.00 0.00 C ATOM 313 C ASP A 20 -3.395 -11.259 4.018 1.00 0.00 C ATOM 314 O ASP A 20 -3.782 -11.776 2.989 1.00 0.00 O ATOM 315 CB ASP A 20 -1.116 -12.100 4.654 1.00 0.00 C ATOM 316 CG ASP A 20 -1.450 -13.303 3.766 1.00 0.00 C ATOM 317 OD1 ASP A 20 -1.359 -13.166 2.557 1.00 0.00 O ATOM 318 OD2 ASP A 20 -1.791 -14.340 4.311 1.00 0.00 O ATOM 0 H ASP A 20 -1.249 -10.039 6.041 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.520 -10.508 3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.049 -11.885 4.603 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.345 -12.331 5.694 1.00 0.00 H new ATOM 323 N ASN A 21 -4.221 -11.026 5.016 1.00 0.00 N ATOM 324 CA ASN A 21 -5.669 -11.397 4.904 1.00 0.00 C ATOM 325 C ASN A 21 -6.548 -10.308 5.504 1.00 0.00 C ATOM 326 O ASN A 21 -7.143 -9.527 4.791 1.00 0.00 O ATOM 327 CB ASN A 21 -5.922 -12.711 5.642 1.00 0.00 C ATOM 328 CG ASN A 21 -5.103 -13.829 4.995 1.00 0.00 C ATOM 329 OD1 ASN A 21 -5.096 -13.948 3.695 1.00 0.00 O flip ATOM 330 ND2 ASN A 21 -4.459 -14.600 5.679 1.00 0.00 N flip ATOM 0 H ASN A 21 -3.953 -10.595 5.901 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.916 -11.511 3.849 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.650 -12.608 6.692 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.983 -12.959 5.611 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.464 -14.507 6.695 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.913 -15.340 5.237 1.00 0.00 H new ATOM 337 N ASN A 22 -6.630 -10.287 6.812 1.00 0.00 N ATOM 338 CA ASN A 22 -7.455 -9.290 7.576 1.00 0.00 C ATOM 339 C ASN A 22 -7.856 -8.104 6.696 1.00 0.00 C ATOM 340 O ASN A 22 -9.012 -7.739 6.605 1.00 0.00 O ATOM 341 CB ASN A 22 -6.626 -8.780 8.764 1.00 0.00 C ATOM 342 CG ASN A 22 -5.816 -9.928 9.389 1.00 0.00 C ATOM 343 OD1 ASN A 22 -5.070 -10.698 8.633 1.00 0.00 O flip ATOM 344 ND2 ASN A 22 -5.865 -10.130 10.586 1.00 0.00 N flip ATOM 0 H ASN A 22 -6.137 -10.950 7.410 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.367 -9.779 7.918 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.952 -7.990 8.432 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.285 -8.342 9.514 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.443 -9.536 11.180 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.328 -10.894 10.997 1.00 0.00 H new ATOM 351 N LYS A 23 -6.903 -7.516 6.041 1.00 0.00 N ATOM 352 CA LYS A 23 -7.194 -6.369 5.153 1.00 0.00 C ATOM 353 C LYS A 23 -7.764 -6.899 3.826 1.00 0.00 C ATOM 354 O LYS A 23 -7.034 -7.327 2.953 1.00 0.00 O ATOM 355 CB LYS A 23 -5.878 -5.594 4.907 1.00 0.00 C ATOM 356 CG LYS A 23 -6.089 -4.084 5.122 1.00 0.00 C ATOM 357 CD LYS A 23 -7.126 -3.522 4.112 1.00 0.00 C ATOM 358 CE LYS A 23 -6.428 -2.769 2.964 1.00 0.00 C ATOM 359 NZ LYS A 23 -6.164 -1.364 3.383 1.00 0.00 N ATOM 0 H LYS A 23 -5.920 -7.786 6.085 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.925 -5.701 5.608 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.104 -5.958 5.582 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.527 -5.776 3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.431 -3.902 6.141 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.141 -3.560 5.006 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.723 -4.339 3.706 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.813 -2.851 4.627 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.493 -3.265 2.705 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.054 -2.783 2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.050 -0.766 2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.963 -1.015 3.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.295 -1.329 3.953 1.00 0.00 H new ATOM 373 N THR A 24 -9.060 -6.871 3.669 1.00 0.00 N ATOM 374 CA THR A 24 -9.679 -7.369 2.403 1.00 0.00 C ATOM 375 C THR A 24 -9.909 -6.195 1.446 1.00 0.00 C ATOM 376 O THR A 24 -9.638 -5.057 1.773 1.00 0.00 O ATOM 377 CB THR A 24 -11.015 -8.038 2.726 1.00 0.00 C ATOM 378 OG1 THR A 24 -11.783 -7.183 3.562 1.00 0.00 O ATOM 379 CG2 THR A 24 -10.750 -9.360 3.447 1.00 0.00 C ATOM 0 H THR A 24 -9.720 -6.524 4.365 1.00 0.00 H new ATOM 0 HA THR A 24 -9.014 -8.091 1.930 1.00 0.00 H new ATOM 0 HB THR A 24 -11.565 -8.228 1.805 1.00 0.00 H new ATOM 0 HG1 THR A 24 -12.471 -7.707 4.023 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.699 -9.843 3.681 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.159 -10.013 2.805 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.203 -9.168 4.370 1.00 0.00 H new ATOM 387 N GLU A 25 -10.394 -6.467 0.260 1.00 0.00 N ATOM 388 CA GLU A 25 -10.632 -5.373 -0.738 1.00 0.00 C ATOM 389 C GLU A 25 -12.121 -5.021 -0.797 1.00 0.00 C ATOM 390 O GLU A 25 -12.558 -4.307 -1.677 1.00 0.00 O ATOM 391 CB GLU A 25 -10.175 -5.844 -2.121 1.00 0.00 C ATOM 392 CG GLU A 25 -8.839 -6.582 -1.996 1.00 0.00 C ATOM 393 CD GLU A 25 -8.234 -6.782 -3.387 1.00 0.00 C ATOM 394 OE1 GLU A 25 -8.992 -7.011 -4.314 1.00 0.00 O ATOM 395 OE2 GLU A 25 -7.021 -6.704 -3.500 1.00 0.00 O ATOM 0 H GLU A 25 -10.637 -7.403 -0.063 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.069 -4.490 -0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.926 -6.502 -2.559 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.069 -4.990 -2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.154 -6.012 -1.368 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.988 -7.546 -1.511 1.00 0.00 H new ATOM 402 N LYS A 26 -12.905 -5.499 0.130 1.00 0.00 N ATOM 403 CA LYS A 26 -14.355 -5.168 0.113 1.00 0.00 C ATOM 404 C LYS A 26 -14.536 -3.836 0.827 1.00 0.00 C ATOM 405 O LYS A 26 -15.236 -2.952 0.367 1.00 0.00 O ATOM 406 CB LYS A 26 -15.140 -6.258 0.848 1.00 0.00 C ATOM 407 CG LYS A 26 -15.049 -7.577 0.067 1.00 0.00 C ATOM 408 CD LYS A 26 -15.412 -8.763 0.983 1.00 0.00 C ATOM 409 CE LYS A 26 -14.173 -9.237 1.754 1.00 0.00 C ATOM 410 NZ LYS A 26 -14.523 -10.444 2.556 1.00 0.00 N ATOM 0 H LYS A 26 -12.604 -6.102 0.895 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.721 -5.105 -0.912 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.741 -6.391 1.854 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.183 -5.959 0.956 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -15.724 -7.549 -0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -14.041 -7.707 -0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.193 -8.465 1.683 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.814 -9.582 0.387 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.365 -9.469 1.060 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.812 -8.444 2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.685 -10.768 3.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.281 -10.207 3.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.848 -11.201 1.921 1.00 0.00 H new ATOM 424 N GLU A 27 -13.892 -3.686 1.946 1.00 0.00 N ATOM 425 CA GLU A 27 -14.000 -2.416 2.701 1.00 0.00 C ATOM 426 C GLU A 27 -13.285 -1.311 1.924 1.00 0.00 C ATOM 427 O GLU A 27 -13.440 -0.138 2.206 1.00 0.00 O ATOM 428 CB GLU A 27 -13.342 -2.583 4.074 1.00 0.00 C ATOM 429 CG GLU A 27 -14.149 -3.579 4.909 1.00 0.00 C ATOM 430 CD GLU A 27 -15.502 -2.964 5.271 1.00 0.00 C ATOM 431 OE1 GLU A 27 -15.508 -1.893 5.854 1.00 0.00 O ATOM 432 OE2 GLU A 27 -16.510 -3.577 4.958 1.00 0.00 O ATOM 0 H GLU A 27 -13.293 -4.393 2.371 1.00 0.00 H new ATOM 0 HA GLU A 27 -15.050 -2.153 2.833 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.317 -2.936 3.957 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.292 -1.621 4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.296 -4.503 4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.601 -3.838 5.815 1.00 0.00 H new ATOM 439 N ILE A 28 -12.491 -1.676 0.953 1.00 0.00 N ATOM 440 CA ILE A 28 -11.753 -0.655 0.167 1.00 0.00 C ATOM 441 C ILE A 28 -12.595 -0.186 -1.017 1.00 0.00 C ATOM 442 O ILE A 28 -13.119 0.910 -1.021 1.00 0.00 O ATOM 443 CB ILE A 28 -10.472 -1.281 -0.376 1.00 0.00 C ATOM 444 CG1 ILE A 28 -9.563 -1.736 0.779 1.00 0.00 C ATOM 445 CG2 ILE A 28 -9.754 -0.263 -1.256 1.00 0.00 C ATOM 446 CD1 ILE A 28 -9.216 -0.565 1.705 1.00 0.00 C ATOM 0 H ILE A 28 -12.324 -2.642 0.672 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.529 0.194 0.813 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.721 -2.160 -0.971 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.061 -2.520 1.350 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.647 -2.168 0.376 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.837 -0.703 -1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.402 0.023 -2.084 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.509 0.620 -0.665 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.573 -0.917 2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.696 0.206 1.137 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.132 -0.150 2.126 1.00 0.00 H new ATOM 458 N LEU A 29 -12.715 -1.004 -2.031 1.00 0.00 N ATOM 459 CA LEU A 29 -13.508 -0.599 -3.226 1.00 0.00 C ATOM 460 C LEU A 29 -14.836 -0.001 -2.761 1.00 0.00 C ATOM 461 O LEU A 29 -15.484 0.738 -3.476 1.00 0.00 O ATOM 462 CB LEU A 29 -13.747 -1.819 -4.123 1.00 0.00 C ATOM 463 CG LEU A 29 -12.394 -2.344 -4.657 1.00 0.00 C ATOM 464 CD1 LEU A 29 -12.528 -3.817 -5.045 1.00 0.00 C ATOM 465 CD2 LEU A 29 -11.954 -1.538 -5.893 1.00 0.00 C ATOM 0 H LEU A 29 -12.298 -1.933 -2.081 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.963 0.149 -3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.256 -2.602 -3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -14.398 -1.549 -4.955 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.646 -2.233 -3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.572 -4.183 -5.421 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -12.821 -4.398 -4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -13.287 -3.921 -5.821 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -11.000 -1.920 -6.256 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.706 -1.634 -6.677 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.845 -0.488 -5.622 1.00 0.00 H new ATOM 477 N ASP A 30 -15.219 -0.280 -1.545 1.00 0.00 N ATOM 478 CA ASP A 30 -16.475 0.313 -1.018 1.00 0.00 C ATOM 479 C ASP A 30 -16.165 1.755 -0.643 1.00 0.00 C ATOM 480 O ASP A 30 -16.859 2.681 -1.021 1.00 0.00 O ATOM 481 CB ASP A 30 -16.933 -0.450 0.229 1.00 0.00 C ATOM 482 CG ASP A 30 -17.599 -1.762 -0.188 1.00 0.00 C ATOM 483 OD1 ASP A 30 -17.117 -2.376 -1.125 1.00 0.00 O ATOM 484 OD2 ASP A 30 -18.579 -2.131 0.439 1.00 0.00 O ATOM 0 H ASP A 30 -14.718 -0.890 -0.899 1.00 0.00 H new ATOM 0 HA ASP A 30 -17.268 0.260 -1.764 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -16.080 -0.653 0.877 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -17.632 0.158 0.803 1.00 0.00 H new ATOM 489 N ALA A 31 -15.103 1.952 0.088 1.00 0.00 N ATOM 490 CA ALA A 31 -14.719 3.329 0.481 1.00 0.00 C ATOM 491 C ALA A 31 -14.698 4.211 -0.763 1.00 0.00 C ATOM 492 O ALA A 31 -15.279 5.273 -0.787 1.00 0.00 O ATOM 493 CB ALA A 31 -13.348 3.303 1.144 1.00 0.00 C ATOM 0 H ALA A 31 -14.486 1.215 0.429 1.00 0.00 H new ATOM 0 HA ALA A 31 -15.440 3.734 1.191 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.065 4.315 1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.384 2.669 2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.613 2.906 0.444 1.00 0.00 H new ATOM 499 N PHE A 32 -14.059 3.773 -1.809 1.00 0.00 N ATOM 500 CA PHE A 32 -14.048 4.598 -3.044 1.00 0.00 C ATOM 501 C PHE A 32 -15.496 4.852 -3.464 1.00 0.00 C ATOM 502 O PHE A 32 -15.824 5.893 -3.994 1.00 0.00 O ATOM 503 CB PHE A 32 -13.303 3.866 -4.165 1.00 0.00 C ATOM 504 CG PHE A 32 -11.978 3.289 -3.684 1.00 0.00 C ATOM 505 CD1 PHE A 32 -11.269 3.853 -2.604 1.00 0.00 C ATOM 506 CD2 PHE A 32 -11.439 2.188 -4.358 1.00 0.00 C ATOM 507 CE1 PHE A 32 -10.042 3.307 -2.211 1.00 0.00 C ATOM 508 CE2 PHE A 32 -10.211 1.651 -3.967 1.00 0.00 C ATOM 509 CZ PHE A 32 -9.513 2.209 -2.894 1.00 0.00 C ATOM 0 H PHE A 32 -13.550 2.891 -1.862 1.00 0.00 H new ATOM 0 HA PHE A 32 -13.538 5.542 -2.854 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.929 3.063 -4.553 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.121 4.555 -4.990 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.673 4.707 -2.080 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.976 1.750 -5.186 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.503 3.735 -1.379 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.800 0.803 -4.495 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.564 1.792 -2.592 1.00 0.00 H new ATOM 519 N ASP A 33 -16.379 3.924 -3.218 1.00 0.00 N ATOM 520 CA ASP A 33 -17.798 4.155 -3.598 1.00 0.00 C ATOM 521 C ASP A 33 -18.434 5.079 -2.561 1.00 0.00 C ATOM 522 O ASP A 33 -19.599 5.417 -2.643 1.00 0.00 O ATOM 523 CB ASP A 33 -18.552 2.823 -3.640 1.00 0.00 C ATOM 524 CG ASP A 33 -17.913 1.907 -4.685 1.00 0.00 C ATOM 525 OD1 ASP A 33 -17.500 2.413 -5.715 1.00 0.00 O ATOM 526 OD2 ASP A 33 -17.848 0.714 -4.438 1.00 0.00 O ATOM 0 H ASP A 33 -16.182 3.026 -2.776 1.00 0.00 H new ATOM 0 HA ASP A 33 -17.848 4.613 -4.586 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.526 2.347 -2.660 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -19.601 2.994 -3.884 1.00 0.00 H new ATOM 531 N LYS A 34 -17.664 5.488 -1.586 1.00 0.00 N ATOM 532 CA LYS A 34 -18.184 6.401 -0.518 1.00 0.00 C ATOM 533 C LYS A 34 -17.317 7.660 -0.469 1.00 0.00 C ATOM 534 O LYS A 34 -17.722 8.739 -0.850 1.00 0.00 O ATOM 535 CB LYS A 34 -18.058 5.694 0.837 1.00 0.00 C ATOM 536 CG LYS A 34 -18.976 4.452 0.897 1.00 0.00 C ATOM 537 CD LYS A 34 -18.345 3.353 1.778 1.00 0.00 C ATOM 538 CE LYS A 34 -17.805 3.953 3.087 1.00 0.00 C ATOM 539 NZ LYS A 34 -17.913 2.939 4.173 1.00 0.00 N ATOM 0 H LYS A 34 -16.684 5.226 -1.481 1.00 0.00 H new ATOM 0 HA LYS A 34 -19.222 6.659 -0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -17.023 5.395 1.001 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -18.321 6.385 1.638 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -19.950 4.732 1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -19.143 4.068 -0.109 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -19.088 2.587 2.002 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -17.536 2.864 1.235 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.766 4.258 2.960 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -18.369 4.847 3.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.549 3.341 5.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.910 2.669 4.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.356 2.098 3.919 1.00 0.00 H new ATOM 553 N MET A 35 -16.121 7.502 0.009 1.00 0.00 N ATOM 554 CA MET A 35 -15.168 8.634 0.124 1.00 0.00 C ATOM 555 C MET A 35 -14.951 9.274 -1.254 1.00 0.00 C ATOM 556 O MET A 35 -15.009 10.479 -1.398 1.00 0.00 O ATOM 557 CB MET A 35 -13.865 8.054 0.697 1.00 0.00 C ATOM 558 CG MET A 35 -12.618 8.850 0.269 1.00 0.00 C ATOM 559 SD MET A 35 -11.151 8.079 0.994 1.00 0.00 S ATOM 560 CE MET A 35 -11.308 6.479 0.155 1.00 0.00 C ATOM 0 H MET A 35 -15.753 6.608 0.335 1.00 0.00 H new ATOM 0 HA MET A 35 -15.545 9.420 0.779 1.00 0.00 H new ATOM 0 HB2 MET A 35 -13.926 8.041 1.785 1.00 0.00 H new ATOM 0 HB3 MET A 35 -13.759 7.019 0.371 1.00 0.00 H new ATOM 0 HG2 MET A 35 -12.537 8.867 -0.818 1.00 0.00 H new ATOM 0 HG3 MET A 35 -12.701 9.886 0.598 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.351 6.207 -0.291 1.00 0.00 H new ATOM 0 HE2 MET A 35 -11.602 5.717 0.877 1.00 0.00 H new ATOM 0 HE3 MET A 35 -12.065 6.550 -0.626 1.00 0.00 H new ATOM 570 N CYS A 36 -14.699 8.487 -2.271 1.00 0.00 N ATOM 571 CA CYS A 36 -14.481 9.081 -3.622 1.00 0.00 C ATOM 572 C CYS A 36 -15.838 9.254 -4.302 1.00 0.00 C ATOM 573 O CYS A 36 -15.932 9.445 -5.498 1.00 0.00 O ATOM 574 CB CYS A 36 -13.577 8.165 -4.457 1.00 0.00 C ATOM 575 SG CYS A 36 -13.183 8.980 -6.026 1.00 0.00 S ATOM 0 H CYS A 36 -14.636 7.470 -2.224 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.992 10.051 -3.530 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -12.661 7.942 -3.910 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -14.076 7.214 -4.643 1.00 0.00 H new ATOM 580 N SER A 37 -16.895 9.203 -3.531 1.00 0.00 N ATOM 581 CA SER A 37 -18.262 9.377 -4.100 1.00 0.00 C ATOM 582 C SER A 37 -18.636 10.861 -4.044 1.00 0.00 C ATOM 583 O SER A 37 -19.395 11.356 -4.854 1.00 0.00 O ATOM 584 CB SER A 37 -19.265 8.567 -3.275 1.00 0.00 C ATOM 585 OG SER A 37 -20.452 8.377 -4.034 1.00 0.00 O ATOM 0 H SER A 37 -16.867 9.047 -2.523 1.00 0.00 H new ATOM 0 HA SER A 37 -18.281 9.028 -5.133 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.835 7.603 -3.003 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.494 9.088 -2.345 1.00 0.00 H new ATOM 0 HG SER A 37 -21.096 7.857 -3.509 1.00 0.00 H new ATOM 591 N LYS A 38 -18.106 11.569 -3.081 1.00 0.00 N ATOM 592 CA LYS A 38 -18.420 13.023 -2.942 1.00 0.00 C ATOM 593 C LYS A 38 -17.380 13.855 -3.698 1.00 0.00 C ATOM 594 O LYS A 38 -17.570 15.030 -3.937 1.00 0.00 O ATOM 595 CB LYS A 38 -18.386 13.404 -1.460 1.00 0.00 C ATOM 596 CG LYS A 38 -16.995 13.112 -0.887 1.00 0.00 C ATOM 597 CD LYS A 38 -17.048 13.163 0.640 1.00 0.00 C ATOM 598 CE LYS A 38 -15.625 13.150 1.203 1.00 0.00 C ATOM 599 NZ LYS A 38 -15.677 13.212 2.690 1.00 0.00 N ATOM 0 H LYS A 38 -17.464 11.200 -2.379 1.00 0.00 H new ATOM 0 HA LYS A 38 -19.409 13.219 -3.356 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -18.626 14.461 -1.340 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -19.142 12.842 -0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.654 12.131 -1.216 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -16.276 13.841 -1.261 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.571 14.062 0.966 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.610 12.311 1.023 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.105 12.247 0.884 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.061 13.997 0.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.710 13.203 3.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.157 14.086 2.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.200 12.390 3.054 1.00 0.00 H new ATOM 613 N LEU A 39 -16.278 13.258 -4.069 1.00 0.00 N ATOM 614 CA LEU A 39 -15.224 14.026 -4.805 1.00 0.00 C ATOM 615 C LEU A 39 -15.904 14.822 -5.948 1.00 0.00 C ATOM 616 O LEU A 39 -16.856 14.331 -6.525 1.00 0.00 O ATOM 617 CB LEU A 39 -14.186 13.024 -5.410 1.00 0.00 C ATOM 618 CG LEU A 39 -12.727 13.310 -4.929 1.00 0.00 C ATOM 619 CD1 LEU A 39 -12.296 12.266 -3.895 1.00 0.00 C ATOM 620 CD2 LEU A 39 -11.764 13.255 -6.126 1.00 0.00 C ATOM 0 H LEU A 39 -16.060 12.277 -3.896 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.712 14.710 -4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.464 12.007 -5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.224 13.080 -6.498 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.699 14.301 -4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.278 12.477 -3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.968 12.304 -3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.335 11.273 -4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.748 13.455 -5.785 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.806 12.266 -6.581 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.054 14.005 -6.861 1.00 0.00 H new ATOM 632 N PRO A 40 -15.406 16.002 -6.283 1.00 0.00 N ATOM 633 CA PRO A 40 -15.999 16.773 -7.386 1.00 0.00 C ATOM 634 C PRO A 40 -16.089 15.871 -8.622 1.00 0.00 C ATOM 635 O PRO A 40 -15.466 14.832 -8.683 1.00 0.00 O ATOM 636 CB PRO A 40 -15.034 17.961 -7.606 1.00 0.00 C ATOM 637 CG PRO A 40 -14.013 17.951 -6.433 1.00 0.00 C ATOM 638 CD PRO A 40 -14.252 16.655 -5.626 1.00 0.00 C ATOM 0 HA PRO A 40 -17.007 17.132 -7.179 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -14.521 17.867 -8.563 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.583 18.902 -7.630 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -12.992 17.984 -6.812 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.147 18.828 -5.800 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -13.372 16.012 -5.643 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.466 16.875 -4.580 1.00 0.00 H new ATOM 646 N LYS A 41 -16.866 16.245 -9.597 1.00 0.00 N ATOM 647 CA LYS A 41 -16.998 15.391 -10.806 1.00 0.00 C ATOM 648 C LYS A 41 -15.639 15.187 -11.479 1.00 0.00 C ATOM 649 O LYS A 41 -15.190 14.077 -11.688 1.00 0.00 O ATOM 650 CB LYS A 41 -17.938 16.063 -11.796 1.00 0.00 C ATOM 651 CG LYS A 41 -18.131 15.144 -12.994 1.00 0.00 C ATOM 652 CD LYS A 41 -19.288 15.671 -13.867 1.00 0.00 C ATOM 653 CE LYS A 41 -19.038 15.309 -15.329 1.00 0.00 C ATOM 654 NZ LYS A 41 -20.222 15.695 -16.149 1.00 0.00 N ATOM 0 H LYS A 41 -17.415 17.105 -9.609 1.00 0.00 H new ATOM 0 HA LYS A 41 -17.392 14.421 -10.502 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.897 16.272 -11.323 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -17.526 17.020 -12.117 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -17.213 15.095 -13.580 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -18.348 14.131 -12.657 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -20.233 15.242 -13.533 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -19.373 16.752 -13.760 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.148 15.821 -15.694 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.851 14.239 -15.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -20.050 15.448 -17.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -21.062 15.187 -15.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.380 16.720 -16.069 1.00 0.00 H new ATOM 668 N SER A 42 -15.006 16.256 -11.843 1.00 0.00 N ATOM 669 CA SER A 42 -13.688 16.168 -12.539 1.00 0.00 C ATOM 670 C SER A 42 -12.745 15.194 -11.833 1.00 0.00 C ATOM 671 O SER A 42 -12.320 14.197 -12.390 1.00 0.00 O ATOM 672 CB SER A 42 -13.034 17.545 -12.520 1.00 0.00 C ATOM 673 OG SER A 42 -13.950 18.510 -13.018 1.00 0.00 O ATOM 0 H SER A 42 -15.345 17.206 -11.689 1.00 0.00 H new ATOM 0 HA SER A 42 -13.864 15.817 -13.556 1.00 0.00 H new ATOM 0 HB2 SER A 42 -12.734 17.803 -11.504 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.129 17.538 -13.128 1.00 0.00 H new ATOM 0 HG SER A 42 -13.531 19.396 -13.005 1.00 0.00 H new ATOM 679 N LEU A 43 -12.388 15.495 -10.620 1.00 0.00 N ATOM 680 CA LEU A 43 -11.440 14.621 -9.887 1.00 0.00 C ATOM 681 C LEU A 43 -12.135 13.335 -9.427 1.00 0.00 C ATOM 682 O LEU A 43 -11.514 12.475 -8.841 1.00 0.00 O ATOM 683 CB LEU A 43 -10.874 15.388 -8.684 1.00 0.00 C ATOM 684 CG LEU A 43 -9.944 16.520 -9.170 1.00 0.00 C ATOM 685 CD1 LEU A 43 -9.859 17.614 -8.100 1.00 0.00 C ATOM 686 CD2 LEU A 43 -8.530 15.976 -9.434 1.00 0.00 C ATOM 0 H LEU A 43 -12.714 16.312 -10.103 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.624 14.339 -10.552 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.689 15.805 -8.092 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.323 14.707 -8.035 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.353 16.930 -10.094 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.202 18.411 -8.446 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.854 18.019 -7.914 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.461 17.191 -7.178 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.886 16.786 -9.776 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.125 15.554 -8.514 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.575 15.201 -10.199 1.00 0.00 H new ATOM 698 N SER A 44 -13.406 13.171 -9.710 1.00 0.00 N ATOM 699 CA SER A 44 -14.096 11.911 -9.311 1.00 0.00 C ATOM 700 C SER A 44 -13.915 10.936 -10.455 1.00 0.00 C ATOM 701 O SER A 44 -13.984 9.733 -10.293 1.00 0.00 O ATOM 702 CB SER A 44 -15.586 12.155 -9.092 1.00 0.00 C ATOM 703 OG SER A 44 -16.283 10.921 -9.206 1.00 0.00 O ATOM 0 H SER A 44 -13.989 13.852 -10.197 1.00 0.00 H new ATOM 0 HA SER A 44 -13.679 11.529 -8.380 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.754 12.592 -8.108 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.962 12.868 -9.826 1.00 0.00 H new ATOM 0 HG SER A 44 -17.241 11.072 -9.065 1.00 0.00 H new ATOM 709 N GLU A 45 -13.669 11.464 -11.622 1.00 0.00 N ATOM 710 CA GLU A 45 -13.460 10.601 -12.803 1.00 0.00 C ATOM 711 C GLU A 45 -12.011 10.125 -12.790 1.00 0.00 C ATOM 712 O GLU A 45 -11.705 9.011 -13.164 1.00 0.00 O ATOM 713 CB GLU A 45 -13.732 11.397 -14.081 1.00 0.00 C ATOM 714 CG GLU A 45 -15.225 11.710 -14.181 1.00 0.00 C ATOM 715 CD GLU A 45 -15.489 12.556 -15.427 1.00 0.00 C ATOM 716 OE1 GLU A 45 -14.766 12.390 -16.397 1.00 0.00 O ATOM 717 OE2 GLU A 45 -16.409 13.356 -15.392 1.00 0.00 O ATOM 0 H GLU A 45 -13.605 12.466 -11.803 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.139 9.749 -12.773 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.156 12.322 -14.075 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.410 10.827 -14.952 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.799 10.784 -14.229 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.556 12.244 -13.290 1.00 0.00 H new ATOM 724 N GLU A 46 -11.118 10.968 -12.345 1.00 0.00 N ATOM 725 CA GLU A 46 -9.684 10.575 -12.288 1.00 0.00 C ATOM 726 C GLU A 46 -9.443 9.733 -11.031 1.00 0.00 C ATOM 727 O GLU A 46 -8.520 8.946 -10.965 1.00 0.00 O ATOM 728 CB GLU A 46 -8.810 11.830 -12.237 1.00 0.00 C ATOM 729 CG GLU A 46 -9.093 12.699 -13.464 1.00 0.00 C ATOM 730 CD GLU A 46 -8.204 13.943 -13.424 1.00 0.00 C ATOM 731 OE1 GLU A 46 -7.861 14.367 -12.334 1.00 0.00 O ATOM 732 OE2 GLU A 46 -7.879 14.449 -14.487 1.00 0.00 O ATOM 0 H GLU A 46 -11.322 11.913 -12.019 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.428 9.994 -13.174 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.014 12.392 -11.325 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.756 11.552 -12.210 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.903 12.132 -14.376 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.143 12.990 -13.482 1.00 0.00 H new ATOM 739 N CYS A 47 -10.272 9.894 -10.033 1.00 0.00 N ATOM 740 CA CYS A 47 -10.102 9.108 -8.776 1.00 0.00 C ATOM 741 C CYS A 47 -10.748 7.732 -8.952 1.00 0.00 C ATOM 742 O CYS A 47 -10.374 6.777 -8.304 1.00 0.00 O ATOM 743 CB CYS A 47 -10.774 9.864 -7.617 1.00 0.00 C ATOM 744 SG CYS A 47 -11.188 8.733 -6.259 1.00 0.00 S ATOM 0 H CYS A 47 -11.062 10.539 -10.035 1.00 0.00 H new ATOM 0 HA CYS A 47 -9.043 8.978 -8.554 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -10.108 10.647 -7.253 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -11.679 10.356 -7.974 1.00 0.00 H new ATOM 749 N GLN A 48 -11.701 7.617 -9.835 1.00 0.00 N ATOM 750 CA GLN A 48 -12.355 6.302 -10.064 1.00 0.00 C ATOM 751 C GLN A 48 -11.598 5.619 -11.189 1.00 0.00 C ATOM 752 O GLN A 48 -11.524 4.408 -11.274 1.00 0.00 O ATOM 753 CB GLN A 48 -13.817 6.515 -10.470 1.00 0.00 C ATOM 754 CG GLN A 48 -14.659 6.799 -9.222 1.00 0.00 C ATOM 755 CD GLN A 48 -14.898 5.497 -8.457 1.00 0.00 C ATOM 756 OE1 GLN A 48 -14.332 4.397 -8.874 1.00 0.00 O flip ATOM 757 NE2 GLN A 48 -15.606 5.479 -7.470 1.00 0.00 N flip ATOM 0 H GLN A 48 -12.055 8.382 -10.409 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.338 5.693 -9.160 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -13.893 7.347 -11.170 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -14.195 5.631 -10.983 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -14.149 7.520 -8.583 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -15.612 7.245 -9.508 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -16.048 6.338 -7.144 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -15.758 4.605 -6.967 1.00 0.00 H new ATOM 766 N GLU A 49 -11.016 6.406 -12.050 1.00 0.00 N ATOM 767 CA GLU A 49 -10.243 5.834 -13.167 1.00 0.00 C ATOM 768 C GLU A 49 -8.971 5.203 -12.603 1.00 0.00 C ATOM 769 O GLU A 49 -8.624 4.081 -12.924 1.00 0.00 O ATOM 770 CB GLU A 49 -9.879 6.938 -14.160 1.00 0.00 C ATOM 771 CG GLU A 49 -9.026 6.351 -15.284 1.00 0.00 C ATOM 772 CD GLU A 49 -8.848 7.393 -16.389 1.00 0.00 C ATOM 773 OE1 GLU A 49 -9.830 7.705 -17.044 1.00 0.00 O ATOM 774 OE2 GLU A 49 -7.735 7.860 -16.564 1.00 0.00 O ATOM 0 H GLU A 49 -11.047 7.425 -12.021 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.835 5.079 -13.684 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.784 7.385 -14.571 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.333 7.733 -13.652 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.054 6.048 -14.896 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.502 5.457 -15.686 1.00 0.00 H new ATOM 781 N VAL A 50 -8.275 5.910 -11.754 1.00 0.00 N ATOM 782 CA VAL A 50 -7.038 5.333 -11.173 1.00 0.00 C ATOM 783 C VAL A 50 -7.407 4.126 -10.318 1.00 0.00 C ATOM 784 O VAL A 50 -6.772 3.104 -10.385 1.00 0.00 O ATOM 785 CB VAL A 50 -6.314 6.358 -10.301 1.00 0.00 C ATOM 786 CG1 VAL A 50 -7.128 6.629 -9.031 1.00 0.00 C ATOM 787 CG2 VAL A 50 -4.943 5.785 -9.920 1.00 0.00 C ATOM 0 H VAL A 50 -8.509 6.853 -11.442 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.376 5.038 -11.987 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.194 7.294 -10.847 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.606 7.360 -8.414 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.109 7.018 -9.304 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.248 5.702 -8.471 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.409 6.502 -9.297 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.078 4.855 -9.368 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.366 5.590 -10.824 1.00 0.00 H new ATOM 797 N VAL A 51 -8.440 4.245 -9.518 1.00 0.00 N ATOM 798 CA VAL A 51 -8.885 3.106 -8.650 1.00 0.00 C ATOM 799 C VAL A 51 -8.791 1.809 -9.460 1.00 0.00 C ATOM 800 O VAL A 51 -8.025 0.924 -9.136 1.00 0.00 O ATOM 801 CB VAL A 51 -10.340 3.394 -8.220 1.00 0.00 C ATOM 802 CG1 VAL A 51 -11.100 2.100 -7.897 1.00 0.00 C ATOM 803 CG2 VAL A 51 -10.340 4.312 -6.984 1.00 0.00 C ATOM 0 H VAL A 51 -9.001 5.092 -9.428 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.260 3.000 -7.763 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.846 3.884 -9.052 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -12.120 2.342 -7.598 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.122 1.461 -8.780 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.598 1.577 -7.083 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.367 4.515 -6.681 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.811 3.822 -6.167 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.842 5.250 -7.228 1.00 0.00 H new ATOM 813 N ASP A 52 -9.538 1.704 -10.529 1.00 0.00 N ATOM 814 CA ASP A 52 -9.452 0.478 -11.373 1.00 0.00 C ATOM 815 C ASP A 52 -7.972 0.180 -11.629 1.00 0.00 C ATOM 816 O ASP A 52 -7.550 -0.959 -11.667 1.00 0.00 O ATOM 817 CB ASP A 52 -10.168 0.715 -12.704 1.00 0.00 C ATOM 818 CG ASP A 52 -11.663 0.922 -12.452 1.00 0.00 C ATOM 819 OD1 ASP A 52 -11.994 1.773 -11.643 1.00 0.00 O ATOM 820 OD2 ASP A 52 -12.451 0.226 -13.071 1.00 0.00 O ATOM 0 H ASP A 52 -10.200 2.410 -10.851 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.926 -0.363 -10.867 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.749 1.588 -13.204 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.015 -0.136 -13.368 1.00 0.00 H new ATOM 825 N THR A 53 -7.173 1.211 -11.773 1.00 0.00 N ATOM 826 CA THR A 53 -5.713 1.003 -11.989 1.00 0.00 C ATOM 827 C THR A 53 -5.034 0.760 -10.638 1.00 0.00 C ATOM 828 O THR A 53 -4.000 0.127 -10.558 1.00 0.00 O ATOM 829 CB THR A 53 -5.109 2.201 -12.730 1.00 0.00 C ATOM 830 OG1 THR A 53 -5.754 2.338 -13.989 1.00 0.00 O ATOM 831 CG2 THR A 53 -3.610 1.974 -12.956 1.00 0.00 C ATOM 0 H THR A 53 -7.473 2.186 -11.750 1.00 0.00 H new ATOM 0 HA THR A 53 -5.549 0.126 -12.615 1.00 0.00 H new ATOM 0 HB THR A 53 -5.250 3.103 -12.135 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.375 3.103 -14.469 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.188 2.830 -13.483 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.111 1.858 -11.994 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.464 1.073 -13.552 1.00 0.00 H new ATOM 839 N TYR A 54 -5.623 1.244 -9.574 1.00 0.00 N ATOM 840 CA TYR A 54 -5.048 1.040 -8.209 1.00 0.00 C ATOM 841 C TYR A 54 -6.160 0.549 -7.282 1.00 0.00 C ATOM 842 O TYR A 54 -6.604 1.269 -6.410 1.00 0.00 O ATOM 843 CB TYR A 54 -4.513 2.359 -7.658 1.00 0.00 C ATOM 844 CG TYR A 54 -3.257 2.750 -8.391 1.00 0.00 C ATOM 845 CD1 TYR A 54 -3.346 3.148 -9.716 1.00 0.00 C ATOM 846 CD2 TYR A 54 -2.022 2.742 -7.741 1.00 0.00 C ATOM 847 CE1 TYR A 54 -2.206 3.548 -10.411 1.00 0.00 C ATOM 848 CE2 TYR A 54 -0.868 3.133 -8.432 1.00 0.00 C ATOM 849 CZ TYR A 54 -0.961 3.540 -9.772 1.00 0.00 C ATOM 850 OH TYR A 54 0.172 3.934 -10.456 1.00 0.00 O ATOM 0 H TYR A 54 -6.491 1.780 -9.594 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.236 0.315 -8.267 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.266 3.140 -7.766 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.307 2.261 -6.592 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.305 3.148 -10.213 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.956 2.435 -6.708 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.283 3.864 -11.441 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.091 3.121 -7.935 1.00 0.00 H new ATOM 0 HH TYR A 54 0.950 3.869 -9.864 1.00 0.00 H new ATOM 860 N GLY A 55 -6.626 -0.658 -7.468 1.00 0.00 N ATOM 861 CA GLY A 55 -7.724 -1.190 -6.598 1.00 0.00 C ATOM 862 C GLY A 55 -7.422 -2.634 -6.199 1.00 0.00 C ATOM 863 O GLY A 55 -7.353 -2.958 -5.036 1.00 0.00 O ATOM 0 H GLY A 55 -6.295 -1.302 -8.186 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.825 -0.571 -5.706 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.675 -1.142 -7.128 1.00 0.00 H new ATOM 867 N SER A 56 -7.253 -3.510 -7.150 1.00 0.00 N ATOM 868 CA SER A 56 -6.960 -4.935 -6.807 1.00 0.00 C ATOM 869 C SER A 56 -5.444 -5.146 -6.749 1.00 0.00 C ATOM 870 O SER A 56 -4.966 -6.104 -6.174 1.00 0.00 O ATOM 871 CB SER A 56 -7.563 -5.851 -7.873 1.00 0.00 C ATOM 872 OG SER A 56 -6.802 -7.050 -7.944 1.00 0.00 O ATOM 0 H SER A 56 -7.304 -3.304 -8.148 1.00 0.00 H new ATOM 0 HA SER A 56 -7.396 -5.172 -5.837 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.601 -6.079 -7.629 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.566 -5.350 -8.841 1.00 0.00 H new ATOM 0 HG SER A 56 -7.186 -7.641 -8.625 1.00 0.00 H new ATOM 878 N SER A 57 -4.679 -4.250 -7.319 1.00 0.00 N ATOM 879 CA SER A 57 -3.193 -4.397 -7.270 1.00 0.00 C ATOM 880 C SER A 57 -2.698 -3.700 -6.017 1.00 0.00 C ATOM 881 O SER A 57 -2.246 -4.332 -5.099 1.00 0.00 O ATOM 882 CB SER A 57 -2.542 -3.751 -8.495 1.00 0.00 C ATOM 883 OG SER A 57 -2.988 -4.413 -9.671 1.00 0.00 O ATOM 0 H SER A 57 -5.018 -3.425 -7.815 1.00 0.00 H new ATOM 0 HA SER A 57 -2.931 -5.455 -7.262 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.798 -2.693 -8.541 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.456 -3.813 -8.419 1.00 0.00 H new ATOM 0 HG SER A 57 -2.573 -3.999 -10.457 1.00 0.00 H new ATOM 889 N ILE A 58 -2.807 -2.395 -5.975 1.00 0.00 N ATOM 890 CA ILE A 58 -2.372 -1.604 -4.776 1.00 0.00 C ATOM 891 C ILE A 58 -2.543 -2.430 -3.499 1.00 0.00 C ATOM 892 O ILE A 58 -1.668 -2.485 -2.658 1.00 0.00 O ATOM 893 CB ILE A 58 -3.248 -0.353 -4.708 1.00 0.00 C ATOM 894 CG1 ILE A 58 -2.803 0.558 -3.553 1.00 0.00 C ATOM 895 CG2 ILE A 58 -4.713 -0.743 -4.507 1.00 0.00 C ATOM 896 CD1 ILE A 58 -3.852 1.664 -3.349 1.00 0.00 C ATOM 0 H ILE A 58 -3.187 -1.831 -6.736 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.319 -1.336 -4.862 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.141 0.186 -5.649 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.688 -0.024 -2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.831 0.998 -3.775 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.326 0.157 -4.460 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.042 -1.363 -5.341 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.817 -1.301 -3.577 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.541 2.314 -2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.944 2.251 -4.263 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.815 1.213 -3.109 1.00 0.00 H new ATOM 908 N LEU A 59 -3.663 -3.073 -3.357 1.00 0.00 N ATOM 909 CA LEU A 59 -3.891 -3.903 -2.131 1.00 0.00 C ATOM 910 C LEU A 59 -3.179 -5.257 -2.271 1.00 0.00 C ATOM 911 O LEU A 59 -2.697 -5.811 -1.307 1.00 0.00 O ATOM 912 CB LEU A 59 -5.393 -4.177 -1.893 1.00 0.00 C ATOM 913 CG LEU A 59 -6.236 -2.968 -2.270 1.00 0.00 C ATOM 914 CD1 LEU A 59 -7.711 -3.362 -2.269 1.00 0.00 C ATOM 915 CD2 LEU A 59 -6.004 -1.821 -1.276 1.00 0.00 C ATOM 0 H LEU A 59 -4.431 -3.065 -4.028 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.493 -3.339 -1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.706 -5.040 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.559 -4.428 -0.845 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.946 -2.629 -3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.319 -2.498 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.875 -4.161 -2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.994 -3.709 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.615 -0.964 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.281 -2.147 -0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.952 -1.537 -1.288 1.00 0.00 H new ATOM 927 N SER A 60 -3.150 -5.814 -3.457 1.00 0.00 N ATOM 928 CA SER A 60 -2.505 -7.155 -3.653 1.00 0.00 C ATOM 929 C SER A 60 -1.043 -7.004 -4.085 1.00 0.00 C ATOM 930 O SER A 60 -0.361 -7.977 -4.340 1.00 0.00 O ATOM 931 CB SER A 60 -3.268 -7.919 -4.735 1.00 0.00 C ATOM 932 OG SER A 60 -4.660 -7.867 -4.454 1.00 0.00 O ATOM 0 H SER A 60 -3.545 -5.399 -4.301 1.00 0.00 H new ATOM 0 HA SER A 60 -2.533 -7.697 -2.708 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.067 -7.484 -5.714 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.931 -8.955 -4.771 1.00 0.00 H new ATOM 0 HG SER A 60 -5.133 -7.474 -5.217 1.00 0.00 H new ATOM 938 N ILE A 61 -0.562 -5.800 -4.198 1.00 0.00 N ATOM 939 CA ILE A 61 0.842 -5.591 -4.645 1.00 0.00 C ATOM 940 C ILE A 61 1.803 -5.823 -3.464 1.00 0.00 C ATOM 941 O ILE A 61 2.590 -6.746 -3.487 1.00 0.00 O ATOM 942 CB ILE A 61 0.945 -4.165 -5.269 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.917 -4.153 -6.453 1.00 0.00 C ATOM 944 CG2 ILE A 61 1.370 -3.102 -4.258 1.00 0.00 C ATOM 945 CD1 ILE A 61 3.350 -4.376 -5.983 1.00 0.00 C ATOM 0 H ILE A 61 -1.083 -4.946 -3.999 1.00 0.00 H new ATOM 0 HA ILE A 61 1.134 -6.308 -5.413 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.059 -3.916 -5.612 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.639 -4.930 -7.165 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.846 -3.200 -6.977 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.424 -2.132 -4.751 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.641 -3.058 -3.449 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.349 -3.357 -3.851 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.021 -4.363 -6.842 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.633 -3.584 -5.290 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.422 -5.341 -5.481 1.00 0.00 H new ATOM 957 N LEU A 62 1.742 -5.030 -2.435 1.00 0.00 N ATOM 958 CA LEU A 62 2.659 -5.244 -1.272 1.00 0.00 C ATOM 959 C LEU A 62 2.428 -6.633 -0.690 1.00 0.00 C ATOM 960 O LEU A 62 3.120 -7.068 0.209 1.00 0.00 O ATOM 961 CB LEU A 62 2.406 -4.173 -0.211 1.00 0.00 C ATOM 962 CG LEU A 62 2.678 -2.793 -0.821 1.00 0.00 C ATOM 963 CD1 LEU A 62 2.291 -1.703 0.180 1.00 0.00 C ATOM 964 CD2 LEU A 62 4.156 -2.654 -1.215 1.00 0.00 C ATOM 0 H LEU A 62 1.100 -4.243 -2.343 1.00 0.00 H new ATOM 0 HA LEU A 62 3.694 -5.168 -1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.377 -4.231 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.052 -4.337 0.652 1.00 0.00 H new ATOM 0 HG LEU A 62 2.075 -2.683 -1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.485 -0.723 -0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.231 -1.790 0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.880 -1.819 1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.326 -1.667 -1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.781 -2.777 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.410 -3.419 -1.949 1.00 0.00 H new ATOM 976 N LEU A 63 1.445 -7.326 -1.186 1.00 0.00 N ATOM 977 CA LEU A 63 1.137 -8.675 -0.667 1.00 0.00 C ATOM 978 C LEU A 63 1.968 -9.739 -1.393 1.00 0.00 C ATOM 979 O LEU A 63 2.555 -10.597 -0.762 1.00 0.00 O ATOM 980 CB LEU A 63 -0.343 -8.942 -0.921 1.00 0.00 C ATOM 981 CG LEU A 63 -1.253 -8.071 -0.016 1.00 0.00 C ATOM 982 CD1 LEU A 63 -1.469 -8.757 1.332 1.00 0.00 C ATOM 983 CD2 LEU A 63 -0.677 -6.664 0.225 1.00 0.00 C ATOM 0 H LEU A 63 0.836 -7.007 -1.939 1.00 0.00 H new ATOM 0 HA LEU A 63 1.373 -8.722 0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.573 -8.742 -1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.557 -9.996 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.201 -7.959 -0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.109 -8.136 1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.944 -9.725 1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.508 -8.900 1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.354 -6.098 0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.295 -6.747 0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.563 -6.149 -0.729 1.00 0.00 H new ATOM 995 N GLU A 64 1.996 -9.724 -2.713 1.00 0.00 N ATOM 996 CA GLU A 64 2.764 -10.781 -3.462 1.00 0.00 C ATOM 997 C GLU A 64 3.657 -10.194 -4.550 1.00 0.00 C ATOM 998 O GLU A 64 4.851 -10.428 -4.563 1.00 0.00 O ATOM 999 CB GLU A 64 1.771 -11.727 -4.123 1.00 0.00 C ATOM 1000 CG GLU A 64 1.003 -12.502 -3.050 1.00 0.00 C ATOM 1001 CD GLU A 64 -0.023 -13.420 -3.718 1.00 0.00 C ATOM 1002 OE1 GLU A 64 -0.971 -12.901 -4.285 1.00 0.00 O ATOM 1003 OE2 GLU A 64 0.157 -14.624 -3.652 1.00 0.00 O ATOM 0 H GLU A 64 1.525 -9.033 -3.297 1.00 0.00 H new ATOM 0 HA GLU A 64 3.402 -11.296 -2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.076 -11.163 -4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.297 -12.420 -4.780 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.694 -13.090 -2.447 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.501 -11.809 -2.375 1.00 0.00 H new ATOM 1010 N GLU A 65 3.113 -9.452 -5.478 1.00 0.00 N ATOM 1011 CA GLU A 65 3.973 -8.887 -6.561 1.00 0.00 C ATOM 1012 C GLU A 65 5.178 -8.207 -5.924 1.00 0.00 C ATOM 1013 O GLU A 65 6.141 -7.851 -6.573 1.00 0.00 O ATOM 1014 CB GLU A 65 3.166 -7.885 -7.388 1.00 0.00 C ATOM 1015 CG GLU A 65 1.877 -8.552 -7.867 1.00 0.00 C ATOM 1016 CD GLU A 65 1.069 -7.561 -8.708 1.00 0.00 C ATOM 1017 OE1 GLU A 65 1.680 -6.707 -9.330 1.00 0.00 O ATOM 1018 OE2 GLU A 65 -0.145 -7.674 -8.716 1.00 0.00 O ATOM 0 H GLU A 65 2.123 -9.214 -5.534 1.00 0.00 H new ATOM 0 HA GLU A 65 4.316 -9.682 -7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.933 -7.005 -6.789 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.752 -7.544 -8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.111 -9.438 -8.456 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.288 -8.884 -7.012 1.00 0.00 H new ATOM 1025 N VAL A 66 5.102 -8.033 -4.645 1.00 0.00 N ATOM 1026 CA VAL A 66 6.186 -7.389 -3.876 1.00 0.00 C ATOM 1027 C VAL A 66 6.311 -8.100 -2.520 1.00 0.00 C ATOM 1028 O VAL A 66 5.337 -8.296 -1.822 1.00 0.00 O ATOM 1029 CB VAL A 66 5.772 -5.929 -3.696 1.00 0.00 C ATOM 1030 CG1 VAL A 66 6.381 -5.311 -2.442 1.00 0.00 C ATOM 1031 CG2 VAL A 66 6.182 -5.142 -4.928 1.00 0.00 C ATOM 0 H VAL A 66 4.303 -8.322 -4.080 1.00 0.00 H new ATOM 0 HA VAL A 66 7.152 -7.448 -4.378 1.00 0.00 H new ATOM 0 HB VAL A 66 4.690 -5.892 -3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.060 -4.273 -2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.051 -5.868 -1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.468 -5.350 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.890 -4.099 -4.807 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.263 -5.204 -5.056 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.688 -5.558 -5.806 1.00 0.00 H new ATOM 1041 N SER A 67 7.503 -8.471 -2.134 1.00 0.00 N ATOM 1042 CA SER A 67 7.679 -9.148 -0.813 1.00 0.00 C ATOM 1043 C SER A 67 7.740 -8.059 0.277 1.00 0.00 C ATOM 1044 O SER A 67 7.929 -6.904 -0.041 1.00 0.00 O ATOM 1045 CB SER A 67 8.973 -9.988 -0.831 1.00 0.00 C ATOM 1046 OG SER A 67 8.650 -11.342 -0.539 1.00 0.00 O ATOM 0 H SER A 67 8.359 -8.336 -2.672 1.00 0.00 H new ATOM 0 HA SER A 67 6.847 -9.821 -0.607 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.454 -9.918 -1.807 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.682 -9.603 -0.098 1.00 0.00 H new ATOM 0 HG SER A 67 9.467 -11.883 -0.550 1.00 0.00 H new ATOM 1052 N PRO A 68 7.573 -8.441 1.524 1.00 0.00 N ATOM 1053 CA PRO A 68 7.608 -7.467 2.633 1.00 0.00 C ATOM 1054 C PRO A 68 8.988 -6.790 2.715 1.00 0.00 C ATOM 1055 O PRO A 68 9.093 -5.580 2.784 1.00 0.00 O ATOM 1056 CB PRO A 68 7.318 -8.300 3.899 1.00 0.00 C ATOM 1057 CG PRO A 68 7.319 -9.798 3.479 1.00 0.00 C ATOM 1058 CD PRO A 68 7.337 -9.842 1.937 1.00 0.00 C ATOM 0 HA PRO A 68 6.883 -6.663 2.503 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.074 -8.115 4.662 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.356 -8.022 4.329 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.189 -10.311 3.888 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.437 -10.307 3.868 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.123 -10.501 1.569 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.394 -10.218 1.541 1.00 0.00 H new ATOM 1066 N GLU A 69 10.044 -7.559 2.725 1.00 0.00 N ATOM 1067 CA GLU A 69 11.403 -6.953 2.824 1.00 0.00 C ATOM 1068 C GLU A 69 11.662 -6.036 1.625 1.00 0.00 C ATOM 1069 O GLU A 69 12.396 -5.072 1.723 1.00 0.00 O ATOM 1070 CB GLU A 69 12.463 -8.058 2.871 1.00 0.00 C ATOM 1071 CG GLU A 69 12.452 -8.850 1.562 1.00 0.00 C ATOM 1072 CD GLU A 69 13.386 -10.055 1.686 1.00 0.00 C ATOM 1073 OE1 GLU A 69 14.588 -9.849 1.697 1.00 0.00 O ATOM 1074 OE2 GLU A 69 12.883 -11.163 1.768 1.00 0.00 O ATOM 0 H GLU A 69 10.024 -8.577 2.669 1.00 0.00 H new ATOM 0 HA GLU A 69 11.459 -6.362 3.738 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.448 -7.621 3.033 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.268 -8.725 3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.439 -9.183 1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.770 -8.213 0.737 1.00 0.00 H new ATOM 1081 N LEU A 70 11.066 -6.312 0.498 1.00 0.00 N ATOM 1082 CA LEU A 70 11.288 -5.436 -0.682 1.00 0.00 C ATOM 1083 C LEU A 70 10.752 -4.041 -0.358 1.00 0.00 C ATOM 1084 O LEU A 70 11.422 -3.046 -0.544 1.00 0.00 O ATOM 1085 CB LEU A 70 10.551 -6.017 -1.897 1.00 0.00 C ATOM 1086 CG LEU A 70 10.517 -4.996 -3.041 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.937 -4.509 -3.347 1.00 0.00 C ATOM 1088 CD2 LEU A 70 9.925 -5.657 -4.290 1.00 0.00 C ATOM 0 H LEU A 70 10.439 -7.102 0.345 1.00 0.00 H new ATOM 0 HA LEU A 70 12.351 -5.376 -0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.047 -6.929 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.534 -6.292 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 70 9.903 -4.145 -2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.906 -3.784 -4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.360 -4.040 -2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.557 -5.356 -3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.899 -4.935 -5.106 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.542 -6.508 -4.578 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.912 -5.999 -4.075 1.00 0.00 H new ATOM 1100 N VAL A 71 9.543 -3.963 0.133 1.00 0.00 N ATOM 1101 CA VAL A 71 8.959 -2.635 0.478 1.00 0.00 C ATOM 1102 C VAL A 71 9.989 -1.829 1.260 1.00 0.00 C ATOM 1103 O VAL A 71 10.274 -0.691 0.949 1.00 0.00 O ATOM 1104 CB VAL A 71 7.706 -2.837 1.339 1.00 0.00 C ATOM 1105 CG1 VAL A 71 6.795 -1.613 1.229 1.00 0.00 C ATOM 1106 CG2 VAL A 71 6.964 -4.079 0.852 1.00 0.00 C ATOM 0 H VAL A 71 8.935 -4.763 0.310 1.00 0.00 H new ATOM 0 HA VAL A 71 8.688 -2.102 -0.433 1.00 0.00 H new ATOM 0 HB VAL A 71 7.996 -2.966 2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.907 -1.764 1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.330 -0.729 1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.498 -1.473 0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.071 -4.231 1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.676 -3.945 -0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.614 -4.949 0.940 1.00 0.00 H new ATOM 1116 N CYS A 72 10.559 -2.423 2.267 1.00 0.00 N ATOM 1117 CA CYS A 72 11.586 -1.691 3.062 1.00 0.00 C ATOM 1118 C CYS A 72 12.642 -1.163 2.093 1.00 0.00 C ATOM 1119 O CYS A 72 13.243 -0.130 2.311 1.00 0.00 O ATOM 1120 CB CYS A 72 12.242 -2.615 4.096 1.00 0.00 C ATOM 1121 SG CYS A 72 13.199 -1.617 5.256 1.00 0.00 S ATOM 0 H CYS A 72 10.363 -3.376 2.574 1.00 0.00 H new ATOM 0 HA CYS A 72 11.114 -0.871 3.603 1.00 0.00 H new ATOM 0 HB2 CYS A 72 11.480 -3.184 4.629 1.00 0.00 H new ATOM 0 HB3 CYS A 72 12.889 -3.337 3.598 1.00 0.00 H new ATOM 1126 N SER A 73 12.847 -1.855 1.002 1.00 0.00 N ATOM 1127 CA SER A 73 13.835 -1.381 -0.001 1.00 0.00 C ATOM 1128 C SER A 73 13.193 -0.228 -0.786 1.00 0.00 C ATOM 1129 O SER A 73 13.719 0.864 -0.834 1.00 0.00 O ATOM 1130 CB SER A 73 14.226 -2.541 -0.936 1.00 0.00 C ATOM 1131 OG SER A 73 15.633 -2.734 -0.870 1.00 0.00 O ATOM 0 H SER A 73 12.372 -2.726 0.766 1.00 0.00 H new ATOM 0 HA SER A 73 14.745 -1.029 0.485 1.00 0.00 H new ATOM 0 HB2 SER A 73 13.707 -3.453 -0.642 1.00 0.00 H new ATOM 0 HB3 SER A 73 13.924 -2.318 -1.959 1.00 0.00 H new ATOM 0 HG SER A 73 15.890 -3.472 -1.461 1.00 0.00 H new ATOM 1137 N MET A 74 12.046 -0.455 -1.382 1.00 0.00 N ATOM 1138 CA MET A 74 11.377 0.650 -2.131 1.00 0.00 C ATOM 1139 C MET A 74 11.317 1.881 -1.228 1.00 0.00 C ATOM 1140 O MET A 74 11.652 2.980 -1.625 1.00 0.00 O ATOM 1141 CB MET A 74 9.947 0.244 -2.502 1.00 0.00 C ATOM 1142 CG MET A 74 9.969 -0.930 -3.482 1.00 0.00 C ATOM 1143 SD MET A 74 8.385 -1.010 -4.363 1.00 0.00 S ATOM 1144 CE MET A 74 7.422 -1.851 -3.077 1.00 0.00 C ATOM 0 H MET A 74 11.551 -1.347 -1.382 1.00 0.00 H new ATOM 0 HA MET A 74 11.938 0.863 -3.041 1.00 0.00 H new ATOM 0 HB2 MET A 74 9.395 -0.033 -1.604 1.00 0.00 H new ATOM 0 HB3 MET A 74 9.425 1.090 -2.949 1.00 0.00 H new ATOM 0 HG2 MET A 74 10.787 -0.810 -4.192 1.00 0.00 H new ATOM 0 HG3 MET A 74 10.147 -1.862 -2.946 1.00 0.00 H new ATOM 0 HE1 MET A 74 6.405 -2.014 -3.433 1.00 0.00 H new ATOM 0 HE2 MET A 74 7.884 -2.811 -2.846 1.00 0.00 H new ATOM 0 HE3 MET A 74 7.398 -1.234 -2.179 1.00 0.00 H new