USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 601 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 60 GLN : amide:sc= -0.923 K(o=-1.1,f=-5.9!) USER MOD Set 1.2: A 80 MET CE :methyl -128:sc= -0.141 (180deg=-0.792) USER MOD Set 2.1: A 41 CYS SG : rot 48:sc= -4.09! USER MOD Set 2.2: A 51 THR OG1 : rot 76:sc= 0.947 USER MOD Single : A 10 THR OG1 : rot -39:sc= 0.817 USER MOD Single : A 16 ASN : amide:sc= -0.107 K(o=-0.11,f=-1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 59:sc= 1.03 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot -154:sc= -6.18! USER MOD Single : A 50 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.19) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.0282) USER MOD Single : A 68 SER OG : rot 126:sc= 1.33 USER MOD Single : A 70 ASN : amide:sc= -0.046 X(o=-0.046,f=-0.17) USER MOD Single : A 78 TYR OH : rot 180:sc= -2.84! USER MOD ----------------------------------------------------------------- ATOM 103 N THR A 10 0.136 -14.894 -4.941 1.00 0.00 N ATOM 104 CA THR A 10 0.339 -13.460 -4.821 1.00 0.00 C ATOM 105 C THR A 10 0.102 -12.773 -6.168 1.00 0.00 C ATOM 106 O THR A 10 0.283 -13.384 -7.220 1.00 0.00 O ATOM 107 CB THR A 10 1.743 -13.227 -4.259 1.00 0.00 C ATOM 108 OG1 THR A 10 2.542 -14.219 -4.899 1.00 0.00 O ATOM 109 CG2 THR A 10 1.843 -13.571 -2.772 1.00 0.00 C ATOM 0 HA THR A 10 -0.380 -13.015 -4.134 1.00 0.00 H new ATOM 0 HB THR A 10 2.026 -12.185 -4.410 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.033 -15.053 -4.970 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.859 -13.388 -2.424 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.148 -12.949 -2.207 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.593 -14.621 -2.624 1.00 0.00 H new ATOM 117 N VAL A 11 -0.299 -11.513 -6.090 1.00 0.00 N ATOM 118 CA VAL A 11 -0.562 -10.736 -7.290 1.00 0.00 C ATOM 119 C VAL A 11 0.475 -9.617 -7.406 1.00 0.00 C ATOM 120 O VAL A 11 1.097 -9.238 -6.416 1.00 0.00 O ATOM 121 CB VAL A 11 -2.002 -10.218 -7.272 1.00 0.00 C ATOM 122 CG1 VAL A 11 -3.002 -11.375 -7.324 1.00 0.00 C ATOM 123 CG2 VAL A 11 -2.250 -9.333 -6.048 1.00 0.00 C ATOM 0 H VAL A 11 -0.448 -11.010 -5.215 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.466 -11.360 -8.178 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.150 -9.608 -8.163 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.017 -10.979 -7.310 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.848 -11.948 -8.239 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.853 -12.023 -6.461 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.280 -8.978 -6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.075 -9.910 -5.140 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.572 -8.480 -6.072 1.00 0.00 H new ATOM 133 N ARG A 12 0.628 -9.121 -8.625 1.00 0.00 N ATOM 134 CA ARG A 12 1.579 -8.053 -8.884 1.00 0.00 C ATOM 135 C ARG A 12 0.923 -6.691 -8.653 1.00 0.00 C ATOM 136 O ARG A 12 -0.074 -6.361 -9.292 1.00 0.00 O ATOM 137 CB ARG A 12 2.107 -8.121 -10.318 1.00 0.00 C ATOM 138 CG ARG A 12 3.602 -8.444 -10.339 1.00 0.00 C ATOM 139 CD ARG A 12 4.076 -8.759 -11.759 1.00 0.00 C ATOM 140 NE ARG A 12 5.510 -9.123 -11.745 1.00 0.00 N ATOM 141 CZ ARG A 12 6.229 -9.386 -12.844 1.00 0.00 C ATOM 142 NH1 ARG A 12 5.652 -9.327 -14.052 1.00 0.00 N ATOM 143 NH2 ARG A 12 7.526 -9.708 -12.736 1.00 0.00 N ATOM 0 H ARG A 12 0.110 -9.439 -9.444 1.00 0.00 H new ATOM 0 HA ARG A 12 2.415 -8.179 -8.195 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.560 -8.881 -10.875 1.00 0.00 H new ATOM 0 HB3 ARG A 12 1.930 -7.170 -10.820 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.166 -7.599 -9.943 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.803 -9.295 -9.688 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.489 -9.578 -12.174 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.918 -7.895 -12.404 1.00 0.00 H new ATOM 0 HE ARG A 12 5.981 -9.177 -10.842 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.665 -9.082 -14.134 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.199 -9.527 -14.889 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.966 -9.753 -11.817 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.073 -9.908 -13.573 1.00 0.00 H new ATOM 157 N VAL A 13 1.510 -5.935 -7.736 1.00 0.00 N ATOM 158 CA VAL A 13 0.995 -4.616 -7.412 1.00 0.00 C ATOM 159 C VAL A 13 2.083 -3.571 -7.669 1.00 0.00 C ATOM 160 O VAL A 13 3.266 -3.838 -7.462 1.00 0.00 O ATOM 161 CB VAL A 13 0.474 -4.595 -5.974 1.00 0.00 C ATOM 162 CG1 VAL A 13 0.351 -3.161 -5.455 1.00 0.00 C ATOM 163 CG2 VAL A 13 -0.860 -5.335 -5.863 1.00 0.00 C ATOM 0 H VAL A 13 2.337 -6.211 -7.207 1.00 0.00 H new ATOM 0 HA VAL A 13 0.149 -4.369 -8.053 1.00 0.00 H new ATOM 0 HB VAL A 13 1.199 -5.116 -5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.021 -3.175 -4.431 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.329 -2.680 -5.479 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.342 -2.604 -6.085 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.208 -5.305 -4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.597 -4.856 -6.508 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.728 -6.372 -6.171 1.00 0.00 H new ATOM 173 N VAL A 14 1.644 -2.404 -8.117 1.00 0.00 N ATOM 174 CA VAL A 14 2.566 -1.318 -8.404 1.00 0.00 C ATOM 175 C VAL A 14 2.653 -0.393 -7.188 1.00 0.00 C ATOM 176 O VAL A 14 1.630 0.024 -6.646 1.00 0.00 O ATOM 177 CB VAL A 14 2.135 -0.589 -9.679 1.00 0.00 C ATOM 178 CG1 VAL A 14 2.861 0.750 -9.816 1.00 0.00 C ATOM 179 CG2 VAL A 14 2.361 -1.465 -10.913 1.00 0.00 C ATOM 0 H VAL A 14 0.662 -2.187 -8.288 1.00 0.00 H new ATOM 0 HA VAL A 14 3.567 -1.707 -8.589 1.00 0.00 H new ATOM 0 HB VAL A 14 1.067 -0.384 -9.604 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.537 1.248 -10.730 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.628 1.380 -8.957 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.937 0.578 -9.858 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.047 -0.924 -11.806 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.419 -1.714 -10.993 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.778 -2.382 -10.820 1.00 0.00 H new ATOM 189 N ILE A 15 3.883 -0.101 -6.794 1.00 0.00 N ATOM 190 CA ILE A 15 4.117 0.767 -5.652 1.00 0.00 C ATOM 191 C ILE A 15 4.837 2.034 -6.118 1.00 0.00 C ATOM 192 O ILE A 15 6.063 2.055 -6.215 1.00 0.00 O ATOM 193 CB ILE A 15 4.858 0.010 -4.547 1.00 0.00 C ATOM 194 CG1 ILE A 15 4.102 -1.260 -4.151 1.00 0.00 C ATOM 195 CG2 ILE A 15 5.124 0.917 -3.344 1.00 0.00 C ATOM 196 CD1 ILE A 15 2.882 -0.927 -3.292 1.00 0.00 C ATOM 0 H ILE A 15 4.729 -0.450 -7.245 1.00 0.00 H new ATOM 0 HA ILE A 15 3.170 1.081 -5.213 1.00 0.00 H new ATOM 0 HB ILE A 15 5.828 -0.300 -4.937 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.785 -1.793 -5.047 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.767 -1.927 -3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.651 0.354 -2.574 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.734 1.765 -3.656 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.177 1.279 -2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.363 -1.847 -3.025 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.204 -0.416 -2.385 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.208 -0.280 -3.853 1.00 0.00 H new ATOM 208 N ASN A 16 4.044 3.058 -6.395 1.00 0.00 N ATOM 209 CA ASN A 16 4.590 4.326 -6.849 1.00 0.00 C ATOM 210 C ASN A 16 5.040 5.146 -5.637 1.00 0.00 C ATOM 211 O ASN A 16 4.248 5.409 -4.733 1.00 0.00 O ATOM 212 CB ASN A 16 3.539 5.139 -7.606 1.00 0.00 C ATOM 213 CG ASN A 16 2.955 4.333 -8.768 1.00 0.00 C ATOM 214 OD1 ASN A 16 3.550 4.196 -9.824 1.00 0.00 O ATOM 215 ND2 ASN A 16 1.758 3.809 -8.515 1.00 0.00 N ATOM 0 H ASN A 16 3.027 3.036 -6.314 1.00 0.00 H new ATOM 0 HA ASN A 16 5.428 4.114 -7.513 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.740 5.432 -6.924 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.988 6.057 -7.985 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.283 3.254 -9.227 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.315 3.962 -7.609 1.00 0.00 H new ATOM 222 N PHE A 17 6.308 5.527 -5.658 1.00 0.00 N ATOM 223 CA PHE A 17 6.872 6.311 -4.573 1.00 0.00 C ATOM 224 C PHE A 17 7.896 7.319 -5.099 1.00 0.00 C ATOM 225 O PHE A 17 8.311 7.242 -6.255 1.00 0.00 O ATOM 226 CB PHE A 17 7.576 5.331 -3.632 1.00 0.00 C ATOM 227 CG PHE A 17 8.927 4.833 -4.149 1.00 0.00 C ATOM 228 CD1 PHE A 17 10.054 5.558 -3.918 1.00 0.00 C ATOM 229 CD2 PHE A 17 9.000 3.664 -4.841 1.00 0.00 C ATOM 230 CE1 PHE A 17 11.307 5.095 -4.398 1.00 0.00 C ATOM 231 CE2 PHE A 17 10.254 3.201 -5.321 1.00 0.00 C ATOM 232 CZ PHE A 17 11.381 3.926 -5.090 1.00 0.00 C ATOM 0 H PHE A 17 6.961 5.307 -6.410 1.00 0.00 H new ATOM 0 HA PHE A 17 6.083 6.866 -4.066 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.724 5.814 -2.666 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.925 4.473 -3.464 1.00 0.00 H new ATOM 0 HD1 PHE A 17 9.996 6.486 -3.369 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.105 3.088 -5.025 1.00 0.00 H new ATOM 0 HE1 PHE A 17 12.202 5.671 -4.214 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.312 2.273 -5.870 1.00 0.00 H new ATOM 0 HZ PHE A 17 12.334 3.574 -5.456 1.00 0.00 H new ATOM 242 N LYS A 18 8.274 8.241 -4.226 1.00 0.00 N ATOM 243 CA LYS A 18 9.242 9.263 -4.589 1.00 0.00 C ATOM 244 C LYS A 18 8.588 10.261 -5.547 1.00 0.00 C ATOM 245 O LYS A 18 9.260 11.137 -6.089 1.00 0.00 O ATOM 246 CB LYS A 18 10.516 8.622 -5.143 1.00 0.00 C ATOM 247 CG LYS A 18 11.647 8.670 -4.114 1.00 0.00 C ATOM 248 CD LYS A 18 13.006 8.455 -4.782 1.00 0.00 C ATOM 249 CE LYS A 18 13.968 7.722 -3.845 1.00 0.00 C ATOM 250 NZ LYS A 18 15.149 8.564 -3.552 1.00 0.00 N ATOM 0 H LYS A 18 7.928 8.302 -3.268 1.00 0.00 H new ATOM 0 HA LYS A 18 9.553 9.824 -3.708 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.316 7.587 -5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.823 9.141 -6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.637 9.633 -3.603 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.486 7.904 -3.355 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.877 7.880 -5.699 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.432 9.417 -5.066 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.457 7.467 -2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.286 6.785 -4.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.791 8.051 -2.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.645 8.786 -4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.841 9.447 -3.096 1.00 0.00 H new ATOM 264 N LYS A 19 7.286 10.094 -5.726 1.00 0.00 N ATOM 265 CA LYS A 19 6.535 10.970 -6.609 1.00 0.00 C ATOM 266 C LYS A 19 7.116 10.883 -8.022 1.00 0.00 C ATOM 267 O LYS A 19 7.247 11.897 -8.706 1.00 0.00 O ATOM 268 CB LYS A 19 6.495 12.392 -6.047 1.00 0.00 C ATOM 269 CG LYS A 19 5.278 12.590 -5.141 1.00 0.00 C ATOM 270 CD LYS A 19 4.732 14.014 -5.259 1.00 0.00 C ATOM 271 CE LYS A 19 3.366 14.023 -5.948 1.00 0.00 C ATOM 272 NZ LYS A 19 2.463 14.999 -5.297 1.00 0.00 N ATOM 0 H LYS A 19 6.732 9.366 -5.275 1.00 0.00 H new ATOM 0 HA LYS A 19 5.496 10.648 -6.671 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.407 12.590 -5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.463 13.110 -6.867 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.500 11.875 -5.410 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.554 12.387 -4.106 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.646 14.457 -4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.432 14.630 -5.824 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.485 14.276 -7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.925 13.027 -5.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.540 14.992 -5.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.335 14.741 -4.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.878 15.951 -5.358 1.00 0.00 H new ATOM 286 N THR A 20 7.449 9.663 -8.416 1.00 0.00 N ATOM 287 CA THR A 20 8.013 9.431 -9.735 1.00 0.00 C ATOM 288 C THR A 20 8.456 7.973 -9.876 1.00 0.00 C ATOM 289 O THR A 20 8.135 7.315 -10.864 1.00 0.00 O ATOM 290 CB THR A 20 9.148 10.434 -9.947 1.00 0.00 C ATOM 291 OG1 THR A 20 10.087 9.731 -10.755 1.00 0.00 O ATOM 292 CG2 THR A 20 9.915 10.732 -8.658 1.00 0.00 C ATOM 0 H THR A 20 7.339 8.825 -7.845 1.00 0.00 H new ATOM 0 HA THR A 20 7.270 9.590 -10.517 1.00 0.00 H new ATOM 0 HB THR A 20 8.741 11.362 -10.350 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.855 10.310 -10.942 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.709 11.449 -8.865 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.233 11.149 -7.917 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.350 9.810 -8.272 1.00 0.00 H new ATOM 300 N GLN A 21 9.189 7.511 -8.873 1.00 0.00 N ATOM 301 CA GLN A 21 9.680 6.144 -8.873 1.00 0.00 C ATOM 302 C GLN A 21 8.559 5.177 -8.487 1.00 0.00 C ATOM 303 O GLN A 21 7.602 5.566 -7.819 1.00 0.00 O ATOM 304 CB GLN A 21 10.881 5.993 -7.937 1.00 0.00 C ATOM 305 CG GLN A 21 12.077 6.800 -8.445 1.00 0.00 C ATOM 306 CD GLN A 21 13.273 5.889 -8.728 1.00 0.00 C ATOM 307 OE1 GLN A 21 14.205 5.784 -7.947 1.00 0.00 O ATOM 308 NE2 GLN A 21 13.196 5.238 -9.885 1.00 0.00 N ATOM 0 H GLN A 21 9.454 8.060 -8.055 1.00 0.00 H new ATOM 0 HA GLN A 21 10.014 5.898 -9.881 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.611 6.328 -6.936 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.155 4.941 -7.858 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.800 7.335 -9.353 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.354 7.551 -7.705 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.388 5.371 -10.492 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.945 4.605 -10.165 1.00 0.00 H new ATOM 317 N LYS A 22 8.714 3.936 -8.924 1.00 0.00 N ATOM 318 CA LYS A 22 7.726 2.911 -8.632 1.00 0.00 C ATOM 319 C LYS A 22 8.431 1.562 -8.469 1.00 0.00 C ATOM 320 O LYS A 22 9.470 1.323 -9.081 1.00 0.00 O ATOM 321 CB LYS A 22 6.628 2.906 -9.698 1.00 0.00 C ATOM 322 CG LYS A 22 7.223 2.744 -11.098 1.00 0.00 C ATOM 323 CD LYS A 22 6.464 1.682 -11.896 1.00 0.00 C ATOM 324 CE LYS A 22 7.372 0.498 -12.234 1.00 0.00 C ATOM 325 NZ LYS A 22 8.092 0.742 -13.504 1.00 0.00 N ATOM 0 H LYS A 22 9.509 3.617 -9.478 1.00 0.00 H new ATOM 0 HA LYS A 22 7.222 3.125 -7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.928 2.094 -9.500 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.061 3.835 -9.645 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.185 3.697 -11.626 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.274 2.464 -11.021 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.606 1.334 -11.321 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.075 2.121 -12.815 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.088 0.340 -11.428 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.778 -0.412 -12.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.704 -0.071 -13.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.404 0.870 -14.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.675 1.599 -13.414 1.00 0.00 H new ATOM 339 N THR A 23 7.836 0.716 -7.641 1.00 0.00 N ATOM 340 CA THR A 23 8.393 -0.602 -7.390 1.00 0.00 C ATOM 341 C THR A 23 7.287 -1.659 -7.400 1.00 0.00 C ATOM 342 O THR A 23 6.181 -1.410 -6.923 1.00 0.00 O ATOM 343 CB THR A 23 9.167 -0.545 -6.071 1.00 0.00 C ATOM 344 OG1 THR A 23 9.860 -1.788 -6.021 1.00 0.00 O ATOM 345 CG2 THR A 23 8.246 -0.582 -4.850 1.00 0.00 C ATOM 0 H THR A 23 6.973 0.918 -7.135 1.00 0.00 H new ATOM 0 HA THR A 23 9.087 -0.895 -8.178 1.00 0.00 H new ATOM 0 HB THR A 23 9.770 0.362 -6.043 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.389 -1.835 -5.198 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.845 -0.539 -3.941 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.569 0.272 -4.879 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.666 -1.505 -4.859 1.00 0.00 H new ATOM 353 N ILE A 24 7.624 -2.817 -7.949 1.00 0.00 N ATOM 354 CA ILE A 24 6.674 -3.913 -8.028 1.00 0.00 C ATOM 355 C ILE A 24 6.964 -4.915 -6.908 1.00 0.00 C ATOM 356 O ILE A 24 8.118 -5.115 -6.533 1.00 0.00 O ATOM 357 CB ILE A 24 6.685 -4.533 -9.426 1.00 0.00 C ATOM 358 CG1 ILE A 24 6.205 -3.528 -10.475 1.00 0.00 C ATOM 359 CG2 ILE A 24 5.872 -5.828 -9.459 1.00 0.00 C ATOM 360 CD1 ILE A 24 4.720 -3.208 -10.289 1.00 0.00 C ATOM 0 H ILE A 24 8.542 -3.020 -8.344 1.00 0.00 H new ATOM 0 HA ILE A 24 5.658 -3.548 -7.875 1.00 0.00 H new ATOM 0 HB ILE A 24 7.714 -4.793 -9.676 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.790 -2.611 -10.400 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.371 -3.932 -11.474 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.897 -6.248 -10.465 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.299 -6.544 -8.757 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.840 -5.617 -9.179 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.404 -2.491 -11.047 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.135 -4.123 -10.388 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.561 -2.782 -9.299 1.00 0.00 H new ATOM 372 N VAL A 25 5.896 -5.519 -6.407 1.00 0.00 N ATOM 373 CA VAL A 25 6.022 -6.495 -5.338 1.00 0.00 C ATOM 374 C VAL A 25 4.887 -7.516 -5.450 1.00 0.00 C ATOM 375 O VAL A 25 3.828 -7.214 -5.998 1.00 0.00 O ATOM 376 CB VAL A 25 6.057 -5.786 -3.983 1.00 0.00 C ATOM 377 CG1 VAL A 25 7.217 -4.791 -3.914 1.00 0.00 C ATOM 378 CG2 VAL A 25 4.723 -5.094 -3.692 1.00 0.00 C ATOM 0 H VAL A 25 4.940 -5.351 -6.721 1.00 0.00 H new ATOM 0 HA VAL A 25 6.961 -7.041 -5.428 1.00 0.00 H new ATOM 0 HB VAL A 25 6.218 -6.541 -3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.219 -4.301 -2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.159 -5.320 -4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.101 -4.042 -4.697 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.774 -4.598 -2.723 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.519 -4.356 -4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.924 -5.835 -3.678 1.00 0.00 H new ATOM 388 N ARG A 26 5.148 -8.703 -4.922 1.00 0.00 N ATOM 389 CA ARG A 26 4.162 -9.769 -4.956 1.00 0.00 C ATOM 390 C ARG A 26 3.606 -10.023 -3.553 1.00 0.00 C ATOM 391 O ARG A 26 4.303 -10.557 -2.692 1.00 0.00 O ATOM 392 CB ARG A 26 4.770 -11.065 -5.497 1.00 0.00 C ATOM 393 CG ARG A 26 4.097 -11.481 -6.807 1.00 0.00 C ATOM 394 CD ARG A 26 5.116 -12.073 -7.783 1.00 0.00 C ATOM 395 NE ARG A 26 4.457 -13.063 -8.663 1.00 0.00 N ATOM 396 CZ ARG A 26 5.114 -13.893 -9.485 1.00 0.00 C ATOM 397 NH1 ARG A 26 6.453 -13.857 -9.543 1.00 0.00 N ATOM 398 NH2 ARG A 26 4.434 -14.759 -10.248 1.00 0.00 N ATOM 0 H ARG A 26 6.028 -8.950 -4.469 1.00 0.00 H new ATOM 0 HA ARG A 26 3.356 -9.454 -5.619 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.839 -10.929 -5.660 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.659 -11.859 -4.759 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.316 -12.213 -6.602 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.612 -10.617 -7.261 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.561 -11.279 -8.383 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.927 -12.548 -7.231 1.00 0.00 H new ATOM 0 HE ARG A 26 3.439 -13.117 -8.643 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.971 -13.198 -8.962 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.954 -14.488 -10.168 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.415 -14.787 -10.204 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.935 -15.390 -10.873 1.00 0.00 H new ATOM 412 N VAL A 27 2.355 -9.627 -3.367 1.00 0.00 N ATOM 413 CA VAL A 27 1.698 -9.804 -2.083 1.00 0.00 C ATOM 414 C VAL A 27 0.364 -10.524 -2.294 1.00 0.00 C ATOM 415 O VAL A 27 0.043 -10.931 -3.409 1.00 0.00 O ATOM 416 CB VAL A 27 1.544 -8.453 -1.383 1.00 0.00 C ATOM 417 CG1 VAL A 27 2.774 -8.135 -0.529 1.00 0.00 C ATOM 418 CG2 VAL A 27 1.276 -7.338 -2.395 1.00 0.00 C ATOM 0 H VAL A 27 1.780 -9.185 -4.084 1.00 0.00 H new ATOM 0 HA VAL A 27 2.304 -10.427 -1.426 1.00 0.00 H new ATOM 0 HB VAL A 27 0.682 -8.516 -0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.639 -7.169 -0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.901 -8.909 0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.659 -8.101 -1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.171 -6.388 -1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.108 -7.275 -3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.358 -7.555 -2.941 1.00 0.00 H new ATOM 428 N SER A 28 -0.378 -10.658 -1.204 1.00 0.00 N ATOM 429 CA SER A 28 -1.670 -11.321 -1.255 1.00 0.00 C ATOM 430 C SER A 28 -2.787 -10.282 -1.366 1.00 0.00 C ATOM 431 O SER A 28 -2.808 -9.305 -0.619 1.00 0.00 O ATOM 432 CB SER A 28 -1.886 -12.203 -0.024 1.00 0.00 C ATOM 433 OG SER A 28 -2.430 -13.475 -0.366 1.00 0.00 O ATOM 0 H SER A 28 -0.109 -10.319 -0.281 1.00 0.00 H new ATOM 0 HA SER A 28 -1.690 -11.963 -2.136 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.937 -12.342 0.493 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.556 -11.697 0.671 1.00 0.00 H new ATOM 0 HG SER A 28 -2.551 -14.008 0.447 1.00 0.00 H new ATOM 439 N PRO A 29 -3.714 -10.535 -2.329 1.00 0.00 N ATOM 440 CA PRO A 29 -4.832 -9.632 -2.548 1.00 0.00 C ATOM 441 C PRO A 29 -5.883 -9.786 -1.447 1.00 0.00 C ATOM 442 O PRO A 29 -6.791 -8.964 -1.331 1.00 0.00 O ATOM 443 CB PRO A 29 -5.360 -9.988 -3.928 1.00 0.00 C ATOM 444 CG PRO A 29 -4.821 -11.375 -4.236 1.00 0.00 C ATOM 445 CD PRO A 29 -3.722 -11.682 -3.232 1.00 0.00 C ATOM 0 HA PRO A 29 -4.541 -8.582 -2.507 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.450 -9.980 -3.943 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -5.026 -9.265 -4.672 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.617 -12.117 -4.170 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -4.431 -11.416 -5.253 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.925 -12.608 -2.694 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.758 -11.804 -3.725 1.00 0.00 H new ATOM 453 N HIS A 30 -5.726 -10.845 -0.666 1.00 0.00 N ATOM 454 CA HIS A 30 -6.651 -11.117 0.421 1.00 0.00 C ATOM 455 C HIS A 30 -6.324 -10.212 1.611 1.00 0.00 C ATOM 456 O HIS A 30 -7.167 -9.433 2.053 1.00 0.00 O ATOM 457 CB HIS A 30 -6.639 -12.603 0.786 1.00 0.00 C ATOM 458 CG HIS A 30 -7.398 -13.478 -0.182 1.00 0.00 C ATOM 459 ND1 HIS A 30 -8.772 -13.410 -0.336 1.00 0.00 N ATOM 460 CD2 HIS A 30 -6.962 -14.441 -1.044 1.00 0.00 C ATOM 461 CE1 HIS A 30 -9.135 -14.297 -1.251 1.00 0.00 C ATOM 462 NE2 HIS A 30 -8.012 -14.935 -1.688 1.00 0.00 N ATOM 0 H HIS A 30 -4.972 -11.525 -0.765 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.668 -10.889 0.103 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.606 -12.946 0.837 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.065 -12.726 1.782 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.936 -14.749 -1.180 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -10.143 -14.482 -1.591 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.984 -15.671 -2.394 1.00 0.00 H new ATOM 470 N ALA A 31 -5.098 -10.345 2.096 1.00 0.00 N ATOM 471 CA ALA A 31 -4.650 -9.549 3.226 1.00 0.00 C ATOM 472 C ALA A 31 -5.010 -8.082 2.986 1.00 0.00 C ATOM 473 O ALA A 31 -5.062 -7.631 1.843 1.00 0.00 O ATOM 474 CB ALA A 31 -3.147 -9.755 3.431 1.00 0.00 C ATOM 0 H ALA A 31 -4.401 -10.992 1.727 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.151 -9.865 4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.810 -9.158 4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.948 -10.809 3.627 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.612 -9.445 2.534 1.00 0.00 H new ATOM 480 N SER A 32 -5.249 -7.377 4.082 1.00 0.00 N ATOM 481 CA SER A 32 -5.603 -5.970 4.005 1.00 0.00 C ATOM 482 C SER A 32 -4.338 -5.118 3.892 1.00 0.00 C ATOM 483 O SER A 32 -3.264 -5.535 4.321 1.00 0.00 O ATOM 484 CB SER A 32 -6.425 -5.542 5.223 1.00 0.00 C ATOM 485 OG SER A 32 -7.299 -6.575 5.667 1.00 0.00 O ATOM 0 H SER A 32 -5.204 -7.754 5.029 1.00 0.00 H new ATOM 0 HA SER A 32 -6.215 -5.819 3.116 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.753 -5.263 6.034 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.009 -4.656 4.973 1.00 0.00 H new ATOM 0 HG SER A 32 -7.804 -6.263 6.447 1.00 0.00 H new ATOM 491 N LEU A 33 -4.508 -3.939 3.311 1.00 0.00 N ATOM 492 CA LEU A 33 -3.392 -3.024 3.136 1.00 0.00 C ATOM 493 C LEU A 33 -2.697 -2.810 4.482 1.00 0.00 C ATOM 494 O LEU A 33 -1.478 -2.654 4.537 1.00 0.00 O ATOM 495 CB LEU A 33 -3.862 -1.727 2.474 1.00 0.00 C ATOM 496 CG LEU A 33 -4.167 -1.810 0.977 1.00 0.00 C ATOM 497 CD1 LEU A 33 -4.955 -0.585 0.509 1.00 0.00 C ATOM 498 CD2 LEU A 33 -2.885 -2.011 0.167 1.00 0.00 C ATOM 0 H LEU A 33 -5.401 -3.596 2.956 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.652 -3.451 2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.759 -1.384 2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.096 -0.966 2.627 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.797 -2.683 0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.159 -0.669 -0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.897 -0.528 1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.372 0.316 0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.130 -2.067 -0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.210 -1.173 0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.400 -2.937 0.477 1.00 0.00 H new ATOM 510 N GLN A 34 -3.502 -2.811 5.535 1.00 0.00 N ATOM 511 CA GLN A 34 -2.979 -2.619 6.877 1.00 0.00 C ATOM 512 C GLN A 34 -1.851 -3.615 7.154 1.00 0.00 C ATOM 513 O GLN A 34 -0.887 -3.290 7.845 1.00 0.00 O ATOM 514 CB GLN A 34 -4.090 -2.744 7.921 1.00 0.00 C ATOM 515 CG GLN A 34 -3.517 -3.117 9.289 1.00 0.00 C ATOM 516 CD GLN A 34 -4.468 -2.703 10.414 1.00 0.00 C ATOM 517 OE1 GLN A 34 -4.549 -1.548 10.800 1.00 0.00 O ATOM 518 NE2 GLN A 34 -5.182 -3.706 10.916 1.00 0.00 N ATOM 0 H GLN A 34 -4.512 -2.942 5.486 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.572 -1.610 6.947 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.632 -1.801 7.995 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.808 -3.501 7.605 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.342 -4.192 9.333 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.551 -2.631 9.427 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.066 -4.650 10.547 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.846 -3.532 11.670 1.00 0.00 H new ATOM 527 N GLU A 35 -2.010 -4.809 6.601 1.00 0.00 N ATOM 528 CA GLU A 35 -1.017 -5.855 6.781 1.00 0.00 C ATOM 529 C GLU A 35 0.032 -5.787 5.668 1.00 0.00 C ATOM 530 O GLU A 35 1.153 -6.263 5.838 1.00 0.00 O ATOM 531 CB GLU A 35 -1.676 -7.234 6.830 1.00 0.00 C ATOM 532 CG GLU A 35 -2.013 -7.630 8.269 1.00 0.00 C ATOM 533 CD GLU A 35 -0.882 -8.452 8.890 1.00 0.00 C ATOM 534 OE1 GLU A 35 -0.776 -9.642 8.521 1.00 0.00 O ATOM 535 OE2 GLU A 35 -0.150 -7.873 9.721 1.00 0.00 O ATOM 0 H GLU A 35 -2.811 -5.075 6.028 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.517 -5.694 7.736 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.585 -7.228 6.228 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.008 -7.976 6.392 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.186 -6.734 8.865 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.938 -8.207 8.284 1.00 0.00 H new ATOM 542 N LEU A 36 -0.371 -5.193 4.555 1.00 0.00 N ATOM 543 CA LEU A 36 0.520 -5.058 3.415 1.00 0.00 C ATOM 544 C LEU A 36 1.182 -3.679 3.451 1.00 0.00 C ATOM 545 O LEU A 36 1.827 -3.270 2.487 1.00 0.00 O ATOM 546 CB LEU A 36 -0.228 -5.347 2.112 1.00 0.00 C ATOM 547 CG LEU A 36 -0.765 -6.770 1.948 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.522 -6.922 0.628 1.00 0.00 C ATOM 549 CD2 LEU A 36 0.359 -7.799 2.086 1.00 0.00 C ATOM 0 H LEU A 36 -1.302 -4.800 4.418 1.00 0.00 H new ATOM 0 HA LEU A 36 1.319 -5.797 3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.065 -4.653 2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.440 -5.134 1.278 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.477 -6.961 2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.893 -7.943 0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.362 -6.228 0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.851 -6.704 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.049 -8.802 1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.113 -7.619 1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.815 -7.709 3.072 1.00 0.00 H new ATOM 561 N ALA A 37 0.998 -2.999 4.574 1.00 0.00 N ATOM 562 CA ALA A 37 1.569 -1.674 4.748 1.00 0.00 C ATOM 563 C ALA A 37 3.085 -1.795 4.914 1.00 0.00 C ATOM 564 O ALA A 37 3.844 -1.097 4.242 1.00 0.00 O ATOM 565 CB ALA A 37 0.905 -0.985 5.942 1.00 0.00 C ATOM 0 H ALA A 37 0.462 -3.341 5.372 1.00 0.00 H new ATOM 0 HA ALA A 37 1.382 -1.057 3.870 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.333 0.009 6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.167 -0.898 5.762 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.075 -1.575 6.843 1.00 0.00 H new ATOM 571 N PRO A 38 3.492 -2.708 5.835 1.00 0.00 N ATOM 572 CA PRO A 38 4.904 -2.929 6.097 1.00 0.00 C ATOM 573 C PRO A 38 5.553 -3.730 4.967 1.00 0.00 C ATOM 574 O PRO A 38 6.661 -3.415 4.535 1.00 0.00 O ATOM 575 CB PRO A 38 4.948 -3.649 7.435 1.00 0.00 C ATOM 576 CG PRO A 38 3.554 -4.216 7.650 1.00 0.00 C ATOM 577 CD PRO A 38 2.622 -3.552 6.649 1.00 0.00 C ATOM 0 HA PRO A 38 5.474 -2.001 6.140 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.695 -4.442 7.427 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.219 -2.964 8.238 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.556 -5.297 7.511 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.218 -4.026 8.669 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.105 -4.292 6.039 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.856 -2.962 7.152 1.00 0.00 H new ATOM 585 N ILE A 39 4.835 -4.749 4.519 1.00 0.00 N ATOM 586 CA ILE A 39 5.328 -5.597 3.446 1.00 0.00 C ATOM 587 C ILE A 39 5.619 -4.737 2.215 1.00 0.00 C ATOM 588 O ILE A 39 6.484 -5.075 1.408 1.00 0.00 O ATOM 589 CB ILE A 39 4.350 -6.744 3.178 1.00 0.00 C ATOM 590 CG1 ILE A 39 4.388 -7.772 4.311 1.00 0.00 C ATOM 591 CG2 ILE A 39 4.616 -7.383 1.814 1.00 0.00 C ATOM 592 CD1 ILE A 39 2.984 -8.033 4.861 1.00 0.00 C ATOM 0 H ILE A 39 3.916 -5.007 4.879 1.00 0.00 H new ATOM 0 HA ILE A 39 6.267 -6.070 3.734 1.00 0.00 H new ATOM 0 HB ILE A 39 3.341 -6.334 3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.819 -8.705 3.947 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.035 -7.413 5.111 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.908 -8.195 1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.498 -6.633 1.032 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.632 -7.777 1.789 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.039 -8.767 5.665 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.566 -7.103 5.246 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.346 -8.415 4.064 1.00 0.00 H new ATOM 604 N ILE A 40 4.880 -3.642 2.109 1.00 0.00 N ATOM 605 CA ILE A 40 5.049 -2.732 0.990 1.00 0.00 C ATOM 606 C ILE A 40 6.123 -1.699 1.335 1.00 0.00 C ATOM 607 O ILE A 40 7.144 -1.608 0.655 1.00 0.00 O ATOM 608 CB ILE A 40 3.706 -2.114 0.595 1.00 0.00 C ATOM 609 CG1 ILE A 40 2.842 -3.120 -0.168 1.00 0.00 C ATOM 610 CG2 ILE A 40 3.909 -0.819 -0.194 1.00 0.00 C ATOM 611 CD1 ILE A 40 1.402 -2.621 -0.295 1.00 0.00 C ATOM 0 H ILE A 40 4.163 -3.365 2.780 1.00 0.00 H new ATOM 0 HA ILE A 40 5.397 -3.272 0.110 1.00 0.00 H new ATOM 0 HB ILE A 40 3.169 -1.855 1.507 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.262 -3.286 -1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.854 -4.080 0.348 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.939 -0.401 -0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.457 -0.102 0.418 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.476 -1.030 -1.100 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.809 -3.355 -0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.977 -2.479 0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.392 -1.673 -0.833 1.00 0.00 H new ATOM 623 N CYS A 41 5.857 -0.946 2.393 1.00 0.00 N ATOM 624 CA CYS A 41 6.788 0.077 2.837 1.00 0.00 C ATOM 625 C CYS A 41 8.176 -0.556 2.957 1.00 0.00 C ATOM 626 O CYS A 41 9.157 -0.010 2.455 1.00 0.00 O ATOM 627 CB CYS A 41 6.338 0.719 4.151 1.00 0.00 C ATOM 628 SG CYS A 41 5.499 2.311 3.814 1.00 0.00 S ATOM 0 H CYS A 41 5.010 -1.024 2.955 1.00 0.00 H new ATOM 0 HA CYS A 41 6.820 0.885 2.106 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.663 0.047 4.681 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.199 0.882 4.799 1.00 0.00 H new ATOM 0 HG CYS A 41 4.623 2.148 2.867 1.00 0.00 H new ATOM 634 N SER A 42 8.214 -1.699 3.626 1.00 0.00 N ATOM 635 CA SER A 42 9.465 -2.413 3.818 1.00 0.00 C ATOM 636 C SER A 42 10.149 -2.643 2.469 1.00 0.00 C ATOM 637 O SER A 42 11.354 -2.436 2.337 1.00 0.00 O ATOM 638 CB SER A 42 9.234 -3.747 4.531 1.00 0.00 C ATOM 639 OG SER A 42 8.675 -3.569 5.829 1.00 0.00 O ATOM 0 H SER A 42 7.398 -2.148 4.042 1.00 0.00 H new ATOM 0 HA SER A 42 10.114 -1.803 4.447 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.568 -4.368 3.932 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.180 -4.282 4.614 1.00 0.00 H new ATOM 0 HG SER A 42 7.819 -3.098 5.755 1.00 0.00 H new ATOM 645 N LYS A 43 9.350 -3.067 1.501 1.00 0.00 N ATOM 646 CA LYS A 43 9.863 -3.327 0.167 1.00 0.00 C ATOM 647 C LYS A 43 10.542 -2.065 -0.368 1.00 0.00 C ATOM 648 O LYS A 43 11.596 -2.142 -0.998 1.00 0.00 O ATOM 649 CB LYS A 43 8.752 -3.860 -0.740 1.00 0.00 C ATOM 650 CG LYS A 43 8.498 -5.346 -0.481 1.00 0.00 C ATOM 651 CD LYS A 43 9.322 -6.217 -1.431 1.00 0.00 C ATOM 652 CE LYS A 43 8.649 -7.572 -1.656 1.00 0.00 C ATOM 653 NZ LYS A 43 9.543 -8.476 -2.413 1.00 0.00 N ATOM 0 H LYS A 43 8.351 -3.237 1.614 1.00 0.00 H new ATOM 0 HA LYS A 43 10.621 -4.109 0.196 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.835 -3.296 -0.568 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.027 -3.711 -1.784 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.751 -5.587 0.551 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.438 -5.565 -0.609 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.444 -5.705 -2.385 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.320 -6.367 -1.019 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.395 -8.022 -0.696 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.715 -7.435 -2.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.070 -9.391 -2.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.765 -8.052 -3.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.423 -8.621 -1.879 1.00 0.00 H new ATOM 667 N CYS A 44 9.911 -0.932 -0.098 1.00 0.00 N ATOM 668 CA CYS A 44 10.441 0.345 -0.545 1.00 0.00 C ATOM 669 C CYS A 44 11.172 0.999 0.629 1.00 0.00 C ATOM 670 O CYS A 44 11.377 2.212 0.639 1.00 0.00 O ATOM 671 CB CYS A 44 9.341 1.248 -1.108 1.00 0.00 C ATOM 672 SG CYS A 44 9.627 1.546 -2.890 1.00 0.00 S ATOM 0 H CYS A 44 9.037 -0.872 0.425 1.00 0.00 H new ATOM 0 HA CYS A 44 11.142 0.184 -1.364 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.366 0.783 -0.961 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.326 2.196 -0.570 1.00 0.00 H new ATOM 0 HG CYS A 44 9.091 2.680 -3.232 1.00 0.00 H new ATOM 678 N GLU A 45 11.545 0.167 1.590 1.00 0.00 N ATOM 679 CA GLU A 45 12.249 0.649 2.766 1.00 0.00 C ATOM 680 C GLU A 45 11.663 1.986 3.224 1.00 0.00 C ATOM 681 O GLU A 45 12.401 2.933 3.490 1.00 0.00 O ATOM 682 CB GLU A 45 13.750 0.773 2.494 1.00 0.00 C ATOM 683 CG GLU A 45 14.522 -0.373 3.150 1.00 0.00 C ATOM 684 CD GLU A 45 15.889 0.101 3.649 1.00 0.00 C ATOM 685 OE1 GLU A 45 16.572 0.790 2.861 1.00 0.00 O ATOM 686 OE2 GLU A 45 16.219 -0.237 4.806 1.00 0.00 O ATOM 0 H GLU A 45 11.373 -0.838 1.578 1.00 0.00 H new ATOM 0 HA GLU A 45 12.117 -0.077 3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.930 0.769 1.419 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.115 1.727 2.875 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.946 -0.774 3.984 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.654 -1.184 2.434 1.00 0.00 H new ATOM 693 N PHE A 46 10.341 2.019 3.304 1.00 0.00 N ATOM 694 CA PHE A 46 9.647 3.224 3.726 1.00 0.00 C ATOM 695 C PHE A 46 9.190 3.112 5.182 1.00 0.00 C ATOM 696 O PHE A 46 9.317 2.054 5.797 1.00 0.00 O ATOM 697 CB PHE A 46 8.417 3.370 2.828 1.00 0.00 C ATOM 698 CG PHE A 46 8.646 4.248 1.597 1.00 0.00 C ATOM 699 CD1 PHE A 46 9.910 4.482 1.154 1.00 0.00 C ATOM 700 CD2 PHE A 46 7.585 4.795 0.945 1.00 0.00 C ATOM 701 CE1 PHE A 46 10.123 5.297 0.011 1.00 0.00 C ATOM 702 CE2 PHE A 46 7.797 5.610 -0.198 1.00 0.00 C ATOM 703 CZ PHE A 46 9.062 5.844 -0.641 1.00 0.00 C ATOM 0 H PHE A 46 9.732 1.231 3.084 1.00 0.00 H new ATOM 0 HA PHE A 46 10.313 4.083 3.647 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.099 2.380 2.501 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.600 3.790 3.414 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.752 4.048 1.672 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.581 4.609 1.297 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.127 5.483 -0.341 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.954 6.044 -0.716 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.224 6.464 -1.510 1.00 0.00 H new ATOM 713 N ASP A 47 8.669 4.219 5.692 1.00 0.00 N ATOM 714 CA ASP A 47 8.193 4.258 7.064 1.00 0.00 C ATOM 715 C ASP A 47 6.663 4.243 7.069 1.00 0.00 C ATOM 716 O ASP A 47 6.028 5.210 6.651 1.00 0.00 O ATOM 717 CB ASP A 47 8.655 5.533 7.771 1.00 0.00 C ATOM 718 CG ASP A 47 10.026 5.439 8.444 1.00 0.00 C ATOM 719 OD1 ASP A 47 10.542 4.303 8.524 1.00 0.00 O ATOM 720 OD2 ASP A 47 10.528 6.505 8.862 1.00 0.00 O ATOM 0 H ASP A 47 8.566 5.095 5.180 1.00 0.00 H new ATOM 0 HA ASP A 47 8.596 3.390 7.586 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.679 6.345 7.044 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.915 5.801 8.525 1.00 0.00 H new ATOM 725 N PRO A 48 6.101 3.106 7.560 1.00 0.00 N ATOM 726 CA PRO A 48 4.657 2.953 7.626 1.00 0.00 C ATOM 727 C PRO A 48 4.069 3.779 8.771 1.00 0.00 C ATOM 728 O PRO A 48 2.856 3.791 8.974 1.00 0.00 O ATOM 729 CB PRO A 48 4.427 1.460 7.792 1.00 0.00 C ATOM 730 CG PRO A 48 5.748 0.886 8.279 1.00 0.00 C ATOM 731 CD PRO A 48 6.821 1.941 8.065 1.00 0.00 C ATOM 0 HA PRO A 48 4.154 3.324 6.733 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.629 1.265 8.508 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.127 1.004 6.849 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.682 0.617 9.333 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.993 -0.025 7.732 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.342 2.170 8.995 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.574 1.602 7.353 1.00 0.00 H new ATOM 739 N LEU A 49 4.956 4.451 9.490 1.00 0.00 N ATOM 740 CA LEU A 49 4.541 5.279 10.609 1.00 0.00 C ATOM 741 C LEU A 49 3.635 6.402 10.099 1.00 0.00 C ATOM 742 O LEU A 49 2.553 6.625 10.639 1.00 0.00 O ATOM 743 CB LEU A 49 5.759 5.777 11.389 1.00 0.00 C ATOM 744 CG LEU A 49 6.184 4.923 12.586 1.00 0.00 C ATOM 745 CD1 LEU A 49 7.655 5.162 12.934 1.00 0.00 C ATOM 746 CD2 LEU A 49 5.265 5.163 13.785 1.00 0.00 C ATOM 0 H LEU A 49 5.961 4.439 9.319 1.00 0.00 H new ATOM 0 HA LEU A 49 3.956 4.694 11.318 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.602 5.848 10.701 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.551 6.786 11.744 1.00 0.00 H new ATOM 0 HG LEU A 49 6.084 3.873 12.310 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.932 4.544 13.788 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.278 4.900 12.079 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.804 6.213 13.184 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.589 4.544 14.622 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.309 6.213 14.072 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.241 4.903 13.517 1.00 0.00 H new ATOM 758 N HIS A 50 4.113 7.080 9.066 1.00 0.00 N ATOM 759 CA HIS A 50 3.360 8.174 8.477 1.00 0.00 C ATOM 760 C HIS A 50 3.266 7.976 6.963 1.00 0.00 C ATOM 761 O HIS A 50 3.738 8.812 6.193 1.00 0.00 O ATOM 762 CB HIS A 50 3.972 9.523 8.862 1.00 0.00 C ATOM 763 CG HIS A 50 5.403 9.698 8.413 1.00 0.00 C ATOM 764 ND1 HIS A 50 5.787 10.651 7.486 1.00 0.00 N ATOM 765 CD2 HIS A 50 6.538 9.034 8.775 1.00 0.00 C ATOM 766 CE1 HIS A 50 7.096 10.555 7.305 1.00 0.00 C ATOM 767 NE2 HIS A 50 7.559 9.552 8.104 1.00 0.00 N ATOM 0 H HIS A 50 5.012 6.893 8.622 1.00 0.00 H new ATOM 0 HA HIS A 50 2.344 8.175 8.872 1.00 0.00 H new ATOM 0 HB2 HIS A 50 3.367 10.321 8.432 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.925 9.636 9.945 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.596 8.224 9.487 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.692 11.164 6.641 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.531 9.249 8.174 1.00 0.00 H new ATOM 775 N THR A 51 2.653 6.866 6.581 1.00 0.00 N ATOM 776 CA THR A 51 2.491 6.547 5.172 1.00 0.00 C ATOM 777 C THR A 51 1.008 6.401 4.826 1.00 0.00 C ATOM 778 O THR A 51 0.248 5.792 5.577 1.00 0.00 O ATOM 779 CB THR A 51 3.311 5.290 4.874 1.00 0.00 C ATOM 780 OG1 THR A 51 4.651 5.765 4.774 1.00 0.00 O ATOM 781 CG2 THR A 51 3.015 4.713 3.488 1.00 0.00 C ATOM 0 H THR A 51 2.262 6.176 7.222 1.00 0.00 H new ATOM 0 HA THR A 51 2.863 7.352 4.539 1.00 0.00 H new ATOM 0 HB THR A 51 3.106 4.535 5.633 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.001 5.947 5.671 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.623 3.823 3.327 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.960 4.449 3.422 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.251 5.456 2.726 1.00 0.00 H new ATOM 789 N LEU A 52 0.640 6.971 3.687 1.00 0.00 N ATOM 790 CA LEU A 52 -0.738 6.912 3.232 1.00 0.00 C ATOM 791 C LEU A 52 -0.821 6.036 1.981 1.00 0.00 C ATOM 792 O LEU A 52 0.182 5.823 1.300 1.00 0.00 O ATOM 793 CB LEU A 52 -1.297 8.322 3.033 1.00 0.00 C ATOM 794 CG LEU A 52 -2.243 8.829 4.123 1.00 0.00 C ATOM 795 CD1 LEU A 52 -2.902 10.147 3.709 1.00 0.00 C ATOM 796 CD2 LEU A 52 -3.277 7.763 4.491 1.00 0.00 C ATOM 0 H LEU A 52 1.273 7.476 3.066 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.369 6.447 3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.460 9.016 2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.825 8.351 2.080 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.655 9.030 5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.569 10.485 4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.133 10.900 3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.474 9.996 2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.937 8.149 5.268 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.865 7.507 3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.767 6.872 4.858 1.00 0.00 H new ATOM 808 N LEU A 53 -2.024 5.550 1.716 1.00 0.00 N ATOM 809 CA LEU A 53 -2.251 4.701 0.558 1.00 0.00 C ATOM 810 C LEU A 53 -3.298 5.351 -0.348 1.00 0.00 C ATOM 811 O LEU A 53 -4.494 5.280 -0.070 1.00 0.00 O ATOM 812 CB LEU A 53 -2.613 3.281 0.998 1.00 0.00 C ATOM 813 CG LEU A 53 -1.551 2.539 1.812 1.00 0.00 C ATOM 814 CD1 LEU A 53 -2.010 1.119 2.146 1.00 0.00 C ATOM 815 CD2 LEU A 53 -0.201 2.551 1.091 1.00 0.00 C ATOM 0 H LEU A 53 -2.853 5.728 2.283 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.338 4.604 -0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.528 3.327 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.837 2.692 0.108 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.416 3.064 2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.237 0.613 2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.930 1.162 2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.190 0.568 1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.536 2.017 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.302 2.063 0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.125 3.581 0.947 1.00 0.00 H new ATOM 827 N LEU A 54 -2.811 5.968 -1.414 1.00 0.00 N ATOM 828 CA LEU A 54 -3.690 6.630 -2.363 1.00 0.00 C ATOM 829 C LEU A 54 -3.846 5.751 -3.605 1.00 0.00 C ATOM 830 O LEU A 54 -3.037 4.855 -3.843 1.00 0.00 O ATOM 831 CB LEU A 54 -3.184 8.041 -2.669 1.00 0.00 C ATOM 832 CG LEU A 54 -2.838 8.907 -1.455 1.00 0.00 C ATOM 833 CD1 LEU A 54 -4.074 9.154 -0.588 1.00 0.00 C ATOM 834 CD2 LEU A 54 -1.689 8.293 -0.653 1.00 0.00 C ATOM 0 H LEU A 54 -1.818 6.024 -1.642 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.684 6.759 -1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.297 7.959 -3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.943 8.559 -3.255 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.497 9.878 -1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.801 9.772 0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.835 9.666 -1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.468 8.201 -0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.463 8.928 0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.978 7.302 -0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.806 8.211 -1.287 1.00 0.00 H new ATOM 846 N LYS A 55 -4.893 6.037 -4.366 1.00 0.00 N ATOM 847 CA LYS A 55 -5.166 5.283 -5.578 1.00 0.00 C ATOM 848 C LYS A 55 -3.932 5.315 -6.482 1.00 0.00 C ATOM 849 O LYS A 55 -3.347 4.274 -6.777 1.00 0.00 O ATOM 850 CB LYS A 55 -6.438 5.798 -6.254 1.00 0.00 C ATOM 851 CG LYS A 55 -7.637 5.711 -5.307 1.00 0.00 C ATOM 852 CD LYS A 55 -8.772 6.625 -5.773 1.00 0.00 C ATOM 853 CE LYS A 55 -9.809 5.843 -6.581 1.00 0.00 C ATOM 854 NZ LYS A 55 -10.816 6.761 -7.158 1.00 0.00 N ATOM 0 H LYS A 55 -5.562 6.780 -4.166 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.360 4.237 -5.341 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.294 6.831 -6.569 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.637 5.215 -7.153 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.992 4.681 -5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.330 5.991 -4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.251 7.085 -4.909 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.366 7.434 -6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.315 5.288 -7.379 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.301 5.110 -5.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.512 6.214 -7.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.300 7.271 -6.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.344 7.444 -7.785 1.00 0.00 H new ATOM 868 N ASP A 56 -3.574 6.521 -6.897 1.00 0.00 N ATOM 869 CA ASP A 56 -2.420 6.703 -7.761 1.00 0.00 C ATOM 870 C ASP A 56 -1.741 8.032 -7.427 1.00 0.00 C ATOM 871 O ASP A 56 -2.289 8.842 -6.680 1.00 0.00 O ATOM 872 CB ASP A 56 -2.836 6.741 -9.233 1.00 0.00 C ATOM 873 CG ASP A 56 -3.842 5.667 -9.649 1.00 0.00 C ATOM 874 OD1 ASP A 56 -5.051 5.915 -9.452 1.00 0.00 O ATOM 875 OD2 ASP A 56 -3.380 4.622 -10.155 1.00 0.00 O ATOM 0 H ASP A 56 -4.063 7.382 -6.651 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.742 5.865 -7.599 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.263 7.720 -9.449 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.943 6.639 -9.850 1.00 0.00 H new ATOM 880 N TYR A 57 -0.559 8.216 -7.995 1.00 0.00 N ATOM 881 CA TYR A 57 0.200 9.434 -7.766 1.00 0.00 C ATOM 882 C TYR A 57 -0.650 10.672 -8.055 1.00 0.00 C ATOM 883 O TYR A 57 -0.528 11.687 -7.371 1.00 0.00 O ATOM 884 CB TYR A 57 1.371 9.392 -8.750 1.00 0.00 C ATOM 885 CG TYR A 57 1.939 10.769 -9.100 1.00 0.00 C ATOM 886 CD1 TYR A 57 1.367 11.516 -10.110 1.00 0.00 C ATOM 887 CD2 TYR A 57 3.025 11.264 -8.406 1.00 0.00 C ATOM 888 CE1 TYR A 57 1.901 12.811 -10.439 1.00 0.00 C ATOM 889 CE2 TYR A 57 3.559 12.560 -8.735 1.00 0.00 C ATOM 890 CZ TYR A 57 2.971 13.270 -9.736 1.00 0.00 C ATOM 891 OH TYR A 57 3.476 14.494 -10.046 1.00 0.00 O ATOM 0 H TYR A 57 -0.108 7.542 -8.614 1.00 0.00 H new ATOM 0 HA TYR A 57 0.528 9.493 -6.728 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.167 8.779 -8.326 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.044 8.901 -9.667 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.518 11.128 -10.654 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.474 10.679 -7.617 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.462 13.405 -11.227 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.407 12.960 -8.199 1.00 0.00 H new ATOM 0 HH TYR A 57 4.237 14.691 -9.462 1.00 0.00 H new ATOM 901 N GLN A 58 -1.492 10.549 -9.070 1.00 0.00 N ATOM 902 CA GLN A 58 -2.362 11.646 -9.459 1.00 0.00 C ATOM 903 C GLN A 58 -3.487 11.819 -8.436 1.00 0.00 C ATOM 904 O GLN A 58 -3.571 12.849 -7.768 1.00 0.00 O ATOM 905 CB GLN A 58 -2.928 11.426 -10.863 1.00 0.00 C ATOM 906 CG GLN A 58 -2.984 12.741 -11.643 1.00 0.00 C ATOM 907 CD GLN A 58 -4.412 13.289 -11.693 1.00 0.00 C ATOM 908 OE1 GLN A 58 -4.989 13.681 -10.692 1.00 0.00 O ATOM 909 NE2 GLN A 58 -4.948 13.292 -12.910 1.00 0.00 N ATOM 0 H GLN A 58 -1.590 9.706 -9.635 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.772 12.562 -9.480 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.310 10.707 -11.400 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.928 10.997 -10.793 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.326 13.473 -11.176 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.616 12.583 -12.657 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.409 12.949 -13.705 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.898 13.637 -13.048 1.00 0.00 H new ATOM 918 N SER A 59 -4.323 10.795 -8.345 1.00 0.00 N ATOM 919 CA SER A 59 -5.439 10.821 -7.414 1.00 0.00 C ATOM 920 C SER A 59 -4.938 11.143 -6.005 1.00 0.00 C ATOM 921 O SER A 59 -3.761 10.952 -5.702 1.00 0.00 O ATOM 922 CB SER A 59 -6.191 9.489 -7.419 1.00 0.00 C ATOM 923 OG SER A 59 -7.392 9.556 -8.182 1.00 0.00 O ATOM 0 H SER A 59 -4.250 9.942 -8.900 1.00 0.00 H new ATOM 0 HA SER A 59 -6.132 11.600 -7.732 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.546 8.710 -7.826 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.428 9.203 -6.394 1.00 0.00 H new ATOM 0 HG SER A 59 -7.842 8.685 -8.162 1.00 0.00 H new ATOM 929 N GLN A 60 -5.856 11.627 -5.181 1.00 0.00 N ATOM 930 CA GLN A 60 -5.522 11.977 -3.811 1.00 0.00 C ATOM 931 C GLN A 60 -6.502 11.315 -2.840 1.00 0.00 C ATOM 932 O GLN A 60 -6.551 11.671 -1.663 1.00 0.00 O ATOM 933 CB GLN A 60 -5.504 13.495 -3.622 1.00 0.00 C ATOM 934 CG GLN A 60 -4.361 14.133 -4.415 1.00 0.00 C ATOM 935 CD GLN A 60 -3.022 13.932 -3.703 1.00 0.00 C ATOM 936 OE1 GLN A 60 -2.672 12.843 -3.279 1.00 0.00 O ATOM 937 NE2 GLN A 60 -2.294 15.040 -3.596 1.00 0.00 N ATOM 0 H GLN A 60 -6.831 11.785 -5.436 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.520 11.605 -3.595 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.456 13.917 -3.946 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.394 13.732 -2.564 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.316 13.695 -5.412 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.553 15.198 -4.543 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.646 15.920 -3.973 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.384 15.010 -3.137 1.00 0.00 H new ATOM 946 N GLU A 61 -7.259 10.365 -3.369 1.00 0.00 N ATOM 947 CA GLU A 61 -8.234 9.650 -2.564 1.00 0.00 C ATOM 948 C GLU A 61 -7.543 8.577 -1.720 1.00 0.00 C ATOM 949 O GLU A 61 -6.873 7.696 -2.258 1.00 0.00 O ATOM 950 CB GLU A 61 -9.327 9.038 -3.442 1.00 0.00 C ATOM 951 CG GLU A 61 -10.631 9.831 -3.328 1.00 0.00 C ATOM 952 CD GLU A 61 -11.787 9.083 -3.995 1.00 0.00 C ATOM 953 OE1 GLU A 61 -12.139 8.002 -3.475 1.00 0.00 O ATOM 954 OE2 GLU A 61 -12.293 9.609 -5.010 1.00 0.00 O ATOM 0 H GLU A 61 -7.217 10.074 -4.346 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.711 10.362 -1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.997 9.021 -4.481 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.499 8.003 -3.146 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.864 10.006 -2.278 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.508 10.809 -3.794 1.00 0.00 H new ATOM 961 N PRO A 62 -7.734 8.689 -0.378 1.00 0.00 N ATOM 962 CA PRO A 62 -7.136 7.739 0.544 1.00 0.00 C ATOM 963 C PRO A 62 -7.882 6.403 0.515 1.00 0.00 C ATOM 964 O PRO A 62 -9.111 6.375 0.472 1.00 0.00 O ATOM 965 CB PRO A 62 -7.192 8.420 1.902 1.00 0.00 C ATOM 966 CG PRO A 62 -8.232 9.522 1.773 1.00 0.00 C ATOM 967 CD PRO A 62 -8.520 9.719 0.293 1.00 0.00 C ATOM 0 HA PRO A 62 -6.109 7.488 0.281 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.468 7.712 2.683 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -6.219 8.831 2.173 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -9.143 9.252 2.307 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.865 10.447 2.217 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.583 9.609 0.078 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.230 10.716 -0.037 1.00 0.00 H new ATOM 975 N LEU A 63 -7.107 5.328 0.538 1.00 0.00 N ATOM 976 CA LEU A 63 -7.678 3.993 0.515 1.00 0.00 C ATOM 977 C LEU A 63 -7.940 3.529 1.949 1.00 0.00 C ATOM 978 O LEU A 63 -7.254 3.955 2.878 1.00 0.00 O ATOM 979 CB LEU A 63 -6.786 3.042 -0.285 1.00 0.00 C ATOM 980 CG LEU A 63 -6.296 3.562 -1.638 1.00 0.00 C ATOM 981 CD1 LEU A 63 -5.049 2.803 -2.098 1.00 0.00 C ATOM 982 CD2 LEU A 63 -7.413 3.513 -2.682 1.00 0.00 C ATOM 0 H LEU A 63 -6.088 5.355 0.572 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.639 4.000 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.916 2.793 0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.334 2.115 -0.451 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.012 4.608 -1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.721 3.192 -3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.253 2.933 -1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.283 1.743 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.038 3.888 -3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.751 2.484 -2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.247 4.132 -2.352 1.00 0.00 H new ATOM 994 N ASP A 64 -8.933 2.663 2.086 1.00 0.00 N ATOM 995 CA ASP A 64 -9.293 2.137 3.391 1.00 0.00 C ATOM 996 C ASP A 64 -8.502 0.855 3.656 1.00 0.00 C ATOM 997 O ASP A 64 -8.754 -0.175 3.032 1.00 0.00 O ATOM 998 CB ASP A 64 -10.783 1.795 3.455 1.00 0.00 C ATOM 999 CG ASP A 64 -11.630 2.748 4.300 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -11.220 3.923 4.413 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -12.669 2.280 4.815 1.00 0.00 O ATOM 0 H ASP A 64 -9.500 2.312 1.314 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.065 2.899 4.136 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.181 1.782 2.440 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.892 0.786 3.853 1.00 0.00 H new ATOM 1006 N LEU A 65 -7.561 0.959 4.583 1.00 0.00 N ATOM 1007 CA LEU A 65 -6.731 -0.180 4.938 1.00 0.00 C ATOM 1008 C LEU A 65 -7.607 -1.429 5.050 1.00 0.00 C ATOM 1009 O LEU A 65 -7.396 -2.405 4.332 1.00 0.00 O ATOM 1010 CB LEU A 65 -5.923 0.120 6.203 1.00 0.00 C ATOM 1011 CG LEU A 65 -5.001 1.339 6.137 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -4.771 1.929 7.530 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -3.686 0.995 5.435 1.00 0.00 C ATOM 0 H LEU A 65 -7.355 1.814 5.099 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.997 -0.375 4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.619 0.260 7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.318 -0.755 6.440 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.493 2.107 5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.112 2.794 7.454 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.726 2.236 7.957 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.311 1.178 8.172 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.049 1.879 5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.177 0.202 5.983 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.893 0.659 4.419 1.00 0.00 H new ATOM 1025 N THR A 66 -8.571 -1.357 5.955 1.00 0.00 N ATOM 1026 CA THR A 66 -9.480 -2.470 6.170 1.00 0.00 C ATOM 1027 C THR A 66 -9.849 -3.123 4.836 1.00 0.00 C ATOM 1028 O THR A 66 -10.061 -4.333 4.770 1.00 0.00 O ATOM 1029 CB THR A 66 -10.691 -1.949 6.947 1.00 0.00 C ATOM 1030 OG1 THR A 66 -11.194 -0.891 6.137 1.00 0.00 O ATOM 1031 CG2 THR A 66 -10.295 -1.261 8.255 1.00 0.00 C ATOM 0 H THR A 66 -8.743 -0.545 6.548 1.00 0.00 H new ATOM 0 HA THR A 66 -9.010 -3.256 6.762 1.00 0.00 H new ATOM 0 HB THR A 66 -11.368 -2.776 7.162 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.982 -0.497 6.566 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.191 -0.910 8.767 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.766 -1.969 8.893 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.645 -0.413 8.038 1.00 0.00 H new ATOM 1039 N LYS A 67 -9.916 -2.292 3.806 1.00 0.00 N ATOM 1040 CA LYS A 67 -10.256 -2.772 2.478 1.00 0.00 C ATOM 1041 C LYS A 67 -8.995 -3.307 1.795 1.00 0.00 C ATOM 1042 O LYS A 67 -7.926 -2.710 1.903 1.00 0.00 O ATOM 1043 CB LYS A 67 -10.971 -1.680 1.679 1.00 0.00 C ATOM 1044 CG LYS A 67 -12.200 -1.167 2.432 1.00 0.00 C ATOM 1045 CD LYS A 67 -13.490 -1.695 1.801 1.00 0.00 C ATOM 1046 CE LYS A 67 -14.066 -2.853 2.618 1.00 0.00 C ATOM 1047 NZ LYS A 67 -15.248 -3.429 1.940 1.00 0.00 N ATOM 0 H LYS A 67 -9.740 -1.289 3.865 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.961 -3.601 2.542 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.285 -0.854 1.490 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.273 -2.073 0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.148 -1.478 3.475 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.207 -0.077 2.424 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.223 -0.891 1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.291 -2.028 0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.306 -3.623 2.754 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.345 -2.501 3.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.801 -3.988 2.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.839 -2.662 1.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.936 -4.043 1.161 1.00 0.00 H new ATOM 1061 N SER A 68 -9.163 -4.427 1.108 1.00 0.00 N ATOM 1062 CA SER A 68 -8.052 -5.050 0.409 1.00 0.00 C ATOM 1063 C SER A 68 -8.101 -4.689 -1.077 1.00 0.00 C ATOM 1064 O SER A 68 -8.969 -3.930 -1.507 1.00 0.00 O ATOM 1065 CB SER A 68 -8.070 -6.569 0.587 1.00 0.00 C ATOM 1066 OG SER A 68 -8.789 -7.221 -0.456 1.00 0.00 O ATOM 0 H SER A 68 -10.052 -4.919 1.020 1.00 0.00 H new ATOM 0 HA SER A 68 -7.124 -4.673 0.838 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.047 -6.943 0.610 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.522 -6.816 1.548 1.00 0.00 H new ATOM 0 HG SER A 68 -8.222 -7.909 -0.863 1.00 0.00 H new ATOM 1072 N LEU A 69 -7.160 -5.250 -1.821 1.00 0.00 N ATOM 1073 CA LEU A 69 -7.085 -4.998 -3.250 1.00 0.00 C ATOM 1074 C LEU A 69 -8.371 -5.488 -3.919 1.00 0.00 C ATOM 1075 O LEU A 69 -8.815 -4.917 -4.913 1.00 0.00 O ATOM 1076 CB LEU A 69 -5.813 -5.613 -3.838 1.00 0.00 C ATOM 1077 CG LEU A 69 -4.500 -4.923 -3.463 1.00 0.00 C ATOM 1078 CD1 LEU A 69 -4.350 -3.592 -4.202 1.00 0.00 C ATOM 1079 CD2 LEU A 69 -4.382 -4.754 -1.947 1.00 0.00 C ATOM 0 H LEU A 69 -6.442 -5.879 -1.461 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.012 -3.928 -3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.757 -6.654 -3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.902 -5.615 -4.924 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.676 -5.562 -3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.409 -3.122 -3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.356 -3.770 -5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.178 -2.934 -3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.440 -4.261 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.211 -4.148 -1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.411 -5.733 -1.468 1.00 0.00 H new ATOM 1091 N ASN A 70 -8.933 -6.542 -3.345 1.00 0.00 N ATOM 1092 CA ASN A 70 -10.159 -7.116 -3.873 1.00 0.00 C ATOM 1093 C ASN A 70 -11.328 -6.177 -3.571 1.00 0.00 C ATOM 1094 O ASN A 70 -12.119 -5.859 -4.458 1.00 0.00 O ATOM 1095 CB ASN A 70 -10.459 -8.468 -3.222 1.00 0.00 C ATOM 1096 CG ASN A 70 -10.284 -9.610 -4.224 1.00 0.00 C ATOM 1097 OD1 ASN A 70 -10.745 -9.557 -5.353 1.00 0.00 O ATOM 1098 ND2 ASN A 70 -9.593 -10.644 -3.752 1.00 0.00 N ATOM 0 H ASN A 70 -8.562 -7.013 -2.520 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.032 -7.253 -4.947 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.795 -8.621 -2.371 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.478 -8.471 -2.836 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.421 -11.456 -4.345 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.235 -10.625 -2.797 1.00 0.00 H new ATOM 1105 N ASP A 71 -11.401 -5.758 -2.316 1.00 0.00 N ATOM 1106 CA ASP A 71 -12.460 -4.861 -1.887 1.00 0.00 C ATOM 1107 C ASP A 71 -12.379 -3.562 -2.690 1.00 0.00 C ATOM 1108 O ASP A 71 -13.395 -3.060 -3.170 1.00 0.00 O ATOM 1109 CB ASP A 71 -12.317 -4.510 -0.405 1.00 0.00 C ATOM 1110 CG ASP A 71 -12.195 -5.710 0.536 1.00 0.00 C ATOM 1111 OD1 ASP A 71 -12.172 -6.844 0.009 1.00 0.00 O ATOM 1112 OD2 ASP A 71 -12.128 -5.468 1.760 1.00 0.00 O ATOM 0 H ASP A 71 -10.744 -6.023 -1.583 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.414 -5.364 -2.049 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.437 -3.879 -0.280 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.180 -3.917 -0.103 1.00 0.00 H new ATOM 1117 N LEU A 72 -11.162 -3.054 -2.813 1.00 0.00 N ATOM 1118 CA LEU A 72 -10.935 -1.823 -3.551 1.00 0.00 C ATOM 1119 C LEU A 72 -11.169 -2.076 -5.041 1.00 0.00 C ATOM 1120 O LEU A 72 -12.152 -1.602 -5.608 1.00 0.00 O ATOM 1121 CB LEU A 72 -9.550 -1.255 -3.233 1.00 0.00 C ATOM 1122 CG LEU A 72 -9.356 -0.716 -1.814 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -7.879 -0.741 -1.416 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -9.964 0.681 -1.670 1.00 0.00 C ATOM 0 H LEU A 72 -10.322 -3.473 -2.414 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.646 -1.057 -3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.810 -2.036 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.338 -0.451 -3.938 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.887 -1.371 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.768 -0.353 -0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.509 -1.766 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.306 -0.122 -2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.812 1.041 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.481 1.362 -2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.032 0.637 -1.884 1.00 0.00 H new ATOM 1136 N GLY A 73 -10.248 -2.821 -5.634 1.00 0.00 N ATOM 1137 CA GLY A 73 -10.341 -3.143 -7.048 1.00 0.00 C ATOM 1138 C GLY A 73 -9.165 -2.548 -7.824 1.00 0.00 C ATOM 1139 O GLY A 73 -9.159 -2.560 -9.054 1.00 0.00 O ATOM 0 H GLY A 73 -9.433 -3.211 -5.161 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.357 -4.225 -7.178 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.278 -2.760 -7.451 1.00 0.00 H new ATOM 1143 N LEU A 74 -8.198 -2.040 -7.074 1.00 0.00 N ATOM 1144 CA LEU A 74 -7.019 -1.441 -7.677 1.00 0.00 C ATOM 1145 C LEU A 74 -5.839 -2.405 -7.545 1.00 0.00 C ATOM 1146 O LEU A 74 -5.783 -3.199 -6.607 1.00 0.00 O ATOM 1147 CB LEU A 74 -6.755 -0.059 -7.077 1.00 0.00 C ATOM 1148 CG LEU A 74 -7.887 0.961 -7.215 1.00 0.00 C ATOM 1149 CD1 LEU A 74 -7.562 2.248 -6.456 1.00 0.00 C ATOM 1150 CD2 LEU A 74 -8.207 1.228 -8.687 1.00 0.00 C ATOM 0 H LEU A 74 -8.207 -2.031 -6.054 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.178 -1.275 -8.743 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.531 -0.182 -6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.862 0.354 -7.546 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.784 0.539 -6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -8.383 2.955 -6.571 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.423 2.022 -5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.648 2.686 -6.856 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.015 1.956 -8.757 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.321 1.619 -9.187 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.514 0.299 -9.167 1.00 0.00 H new ATOM 1162 N ARG A 75 -4.924 -2.304 -8.498 1.00 0.00 N ATOM 1163 CA ARG A 75 -3.748 -3.157 -8.500 1.00 0.00 C ATOM 1164 C ARG A 75 -2.495 -2.334 -8.196 1.00 0.00 C ATOM 1165 O ARG A 75 -1.423 -2.892 -7.961 1.00 0.00 O ATOM 1166 CB ARG A 75 -3.576 -3.855 -9.851 1.00 0.00 C ATOM 1167 CG ARG A 75 -2.592 -5.022 -9.744 1.00 0.00 C ATOM 1168 CD ARG A 75 -3.186 -6.166 -8.919 1.00 0.00 C ATOM 1169 NE ARG A 75 -2.726 -7.467 -9.452 1.00 0.00 N ATOM 1170 CZ ARG A 75 -3.325 -8.122 -10.455 1.00 0.00 C ATOM 1171 NH1 ARG A 75 -4.413 -7.602 -11.040 1.00 0.00 N ATOM 1172 NH2 ARG A 75 -2.837 -9.298 -10.874 1.00 0.00 N ATOM 0 H ARG A 75 -4.973 -1.644 -9.274 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.886 -3.914 -7.728 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.542 -4.220 -10.201 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.218 -3.139 -10.591 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.339 -5.381 -10.741 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.665 -4.680 -9.284 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.888 -6.065 -7.875 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.275 -6.117 -8.946 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.901 -7.892 -9.029 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.785 -6.707 -10.721 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.869 -8.101 -11.804 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.009 -9.694 -10.429 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.293 -9.797 -11.638 1.00 0.00 H new ATOM 1186 N GLU A 76 -2.670 -1.021 -8.209 1.00 0.00 N ATOM 1187 CA GLU A 76 -1.567 -0.116 -7.937 1.00 0.00 C ATOM 1188 C GLU A 76 -1.970 0.910 -6.876 1.00 0.00 C ATOM 1189 O GLU A 76 -3.146 1.248 -6.750 1.00 0.00 O ATOM 1190 CB GLU A 76 -1.098 0.577 -9.218 1.00 0.00 C ATOM 1191 CG GLU A 76 -2.158 1.552 -9.734 1.00 0.00 C ATOM 1192 CD GLU A 76 -3.091 0.869 -10.735 1.00 0.00 C ATOM 1193 OE1 GLU A 76 -2.559 0.329 -11.730 1.00 0.00 O ATOM 1194 OE2 GLU A 76 -4.315 0.901 -10.484 1.00 0.00 O ATOM 0 H GLU A 76 -3.560 -0.562 -8.404 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.731 -0.700 -7.551 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.168 1.113 -9.026 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.883 -0.170 -9.982 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.738 1.940 -8.897 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.672 2.405 -10.208 1.00 0.00 H new ATOM 1201 N LEU A 77 -0.973 1.375 -6.139 1.00 0.00 N ATOM 1202 CA LEU A 77 -1.209 2.355 -5.092 1.00 0.00 C ATOM 1203 C LEU A 77 0.040 3.221 -4.918 1.00 0.00 C ATOM 1204 O LEU A 77 1.105 2.893 -5.441 1.00 0.00 O ATOM 1205 CB LEU A 77 -1.663 1.665 -3.805 1.00 0.00 C ATOM 1206 CG LEU A 77 -0.894 0.401 -3.415 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -0.085 0.624 -2.136 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -1.837 -0.799 -3.294 1.00 0.00 C ATOM 0 H LEU A 77 0.001 1.091 -6.246 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.023 3.023 -5.373 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.586 2.380 -2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.717 1.408 -3.906 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.184 0.174 -4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.452 -0.290 -1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.629 1.432 -2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.759 0.888 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.265 -1.684 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.587 -0.597 -2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.331 -0.972 -4.250 1.00 0.00 H new ATOM 1220 N TYR A 78 -0.130 4.309 -4.182 1.00 0.00 N ATOM 1221 CA TYR A 78 0.971 5.224 -3.932 1.00 0.00 C ATOM 1222 C TYR A 78 1.171 5.444 -2.432 1.00 0.00 C ATOM 1223 O TYR A 78 0.210 5.432 -1.665 1.00 0.00 O ATOM 1224 CB TYR A 78 0.572 6.550 -4.581 1.00 0.00 C ATOM 1225 CG TYR A 78 1.532 7.703 -4.282 1.00 0.00 C ATOM 1226 CD1 TYR A 78 2.675 7.864 -5.038 1.00 0.00 C ATOM 1227 CD2 TYR A 78 1.254 8.583 -3.255 1.00 0.00 C ATOM 1228 CE1 TYR A 78 3.578 8.949 -4.755 1.00 0.00 C ATOM 1229 CE2 TYR A 78 2.158 9.669 -2.973 1.00 0.00 C ATOM 1230 CZ TYR A 78 3.275 9.798 -3.737 1.00 0.00 C ATOM 1231 OH TYR A 78 4.128 10.822 -3.471 1.00 0.00 O ATOM 0 H TYR A 78 -1.014 4.578 -3.750 1.00 0.00 H new ATOM 0 HA TYR A 78 1.902 4.824 -4.335 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.513 6.411 -5.660 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.426 6.824 -4.239 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.892 7.176 -5.842 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.359 8.457 -2.663 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.476 9.086 -5.339 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.953 10.365 -2.173 1.00 0.00 H new ATOM 0 HH TYR A 78 3.784 11.348 -2.719 1.00 0.00 H new ATOM 1241 N ALA A 79 2.427 5.639 -2.057 1.00 0.00 N ATOM 1242 CA ALA A 79 2.766 5.861 -0.662 1.00 0.00 C ATOM 1243 C ALA A 79 3.101 7.339 -0.452 1.00 0.00 C ATOM 1244 O ALA A 79 4.121 7.824 -0.940 1.00 0.00 O ATOM 1245 CB ALA A 79 3.921 4.940 -0.264 1.00 0.00 C ATOM 0 H ALA A 79 3.222 5.648 -2.696 1.00 0.00 H new ATOM 0 HA ALA A 79 1.920 5.620 -0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.175 5.107 0.783 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.623 3.901 -0.404 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.789 5.155 -0.887 1.00 0.00 H new ATOM 1251 N MET A 80 2.223 8.014 0.274 1.00 0.00 N ATOM 1252 CA MET A 80 2.412 9.427 0.554 1.00 0.00 C ATOM 1253 C MET A 80 2.915 9.640 1.984 1.00 0.00 C ATOM 1254 O MET A 80 2.425 9.009 2.919 1.00 0.00 O ATOM 1255 CB MET A 80 1.087 10.168 0.364 1.00 0.00 C ATOM 1256 CG MET A 80 1.260 11.671 0.595 1.00 0.00 C ATOM 1257 SD MET A 80 -0.299 12.400 1.067 1.00 0.00 S ATOM 1258 CE MET A 80 -1.229 12.144 -0.435 1.00 0.00 C ATOM 0 H MET A 80 1.378 7.609 0.677 1.00 0.00 H new ATOM 0 HA MET A 80 3.159 9.818 -0.137 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.710 9.993 -0.643 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.343 9.773 1.056 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.002 11.844 1.374 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.633 12.146 -0.312 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.670 13.088 -0.755 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.565 11.771 -1.215 1.00 0.00 H new ATOM 0 HE3 MET A 80 -2.020 11.417 -0.253 1.00 0.00 H new ATOM 1268 N ASP A 81 3.886 10.533 2.109 1.00 0.00 N ATOM 1269 CA ASP A 81 4.461 10.837 3.408 1.00 0.00 C ATOM 1270 C ASP A 81 3.723 12.028 4.021 1.00 0.00 C ATOM 1271 O ASP A 81 3.839 13.152 3.534 1.00 0.00 O ATOM 1272 CB ASP A 81 5.939 11.210 3.283 1.00 0.00 C ATOM 1273 CG ASP A 81 6.894 10.025 3.126 1.00 0.00 C ATOM 1274 OD1 ASP A 81 6.394 8.881 3.189 1.00 0.00 O ATOM 1275 OD2 ASP A 81 8.102 10.290 2.946 1.00 0.00 O ATOM 0 H ASP A 81 4.289 11.056 1.331 1.00 0.00 H new ATOM 0 HA ASP A 81 4.365 9.950 4.035 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.060 11.871 2.425 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.231 11.778 4.166 1.00 0.00 H new