USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 730 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 19 CYS SG : rot 20:sc= -1.64 USER MOD Set 1.2: A 21 MET CE :methyl -166:sc= -2.15 (180deg=-1.56) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.189 K(o=-0.19,f=-1.1) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -5.84! C(o=-5.8!,f=-5.1!) USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= -0.0359 (180deg=-0.255) USER MOD Single : A 34 ASN : amide:sc= -0.0705 X(o=-0.071,f=-0.56) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.0476 X(o=-0.048,f=-0.048) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot -31:sc= 1.67 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 18:sc= 0.00142 USER MOD Single : A 60 ASN : amide:sc= -0.0224 K(o=-0.022,f=-0.86) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0177 K(o=-0.018,f=-0.94) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= 0.75 K(o=0.75,f=-4.3!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 57:sc= 0.0306 USER MOD Single : A 85 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0524) USER MOD Single : A 86 THR OG1 : rot -114:sc= 1.11 USER MOD Single : A 87 LYS NZ :NH3+ -109:sc= 0.149 (180deg=-1.77!) USER MOD Single : A 88 SER OG : rot 68:sc= 1.02 USER MOD Single : A 93 GLN : amide:sc= -4.45 K(o=-4.5,f=-1.9!) USER MOD Single : A 97 MET CE :methyl -172:sc= -1.65 (180deg=-1.86) USER MOD Single : A 99 HIS : no HD1:sc= -0.241 X(o=-0.24,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -8.310 19.403 -4.556 1.00 0.00 N ATOM 67 CA LYS A 8 -7.283 18.524 -4.009 1.00 0.00 C ATOM 68 C LYS A 8 -6.542 19.201 -2.860 1.00 0.00 C ATOM 69 O LYS A 8 -6.315 20.410 -2.884 1.00 0.00 O ATOM 70 CB LYS A 8 -6.291 18.122 -5.103 1.00 0.00 C ATOM 71 CG LYS A 8 -6.812 17.036 -6.028 1.00 0.00 C ATOM 72 CD LYS A 8 -6.193 17.136 -7.412 1.00 0.00 C ATOM 73 CE LYS A 8 -4.722 16.747 -7.393 1.00 0.00 C ATOM 74 NZ LYS A 8 -4.232 16.369 -8.748 1.00 0.00 N ATOM 0 HA LYS A 8 -7.773 17.630 -3.625 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.040 19.002 -5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.368 17.778 -4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.593 16.057 -5.601 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.896 17.114 -6.107 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.733 16.487 -8.101 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.296 18.155 -7.786 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.131 17.580 -7.012 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.576 15.912 -6.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.226 16.111 -8.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.779 15.558 -9.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.348 17.174 -9.396 1.00 0.00 H new ATOM 88 N ILE A 9 -6.168 18.412 -1.858 1.00 0.00 N ATOM 89 CA ILE A 9 -5.451 18.936 -0.702 1.00 0.00 C ATOM 90 C ILE A 9 -4.004 19.263 -1.055 1.00 0.00 C ATOM 91 O ILE A 9 -3.456 20.269 -0.602 1.00 0.00 O ATOM 92 CB ILE A 9 -5.469 17.938 0.470 1.00 0.00 C ATOM 93 CG1 ILE A 9 -6.909 17.614 0.872 1.00 0.00 C ATOM 94 CG2 ILE A 9 -4.696 18.499 1.655 1.00 0.00 C ATOM 95 CD1 ILE A 9 -7.587 16.627 -0.053 1.00 0.00 C ATOM 0 H ILE A 9 -6.349 17.409 -1.823 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.964 19.849 -0.399 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.986 17.015 0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.913 17.212 1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.488 18.537 0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.718 17.782 2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.663 18.683 1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.153 19.434 1.978 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.604 16.444 0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.615 17.035 -1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.031 15.690 -0.056 1.00 0.00 H new ATOM 107 N SER A 10 -3.391 18.409 -1.868 1.00 0.00 N ATOM 108 CA SER A 10 -2.007 18.606 -2.281 1.00 0.00 C ATOM 109 C SER A 10 -1.666 17.725 -3.479 1.00 0.00 C ATOM 110 O SER A 10 -2.455 16.870 -3.878 1.00 0.00 O ATOM 111 CB SER A 10 -1.058 18.298 -1.121 1.00 0.00 C ATOM 112 OG SER A 10 0.143 19.042 -1.233 1.00 0.00 O ATOM 0 H SER A 10 -3.831 17.574 -2.254 1.00 0.00 H new ATOM 0 HA SER A 10 -1.886 19.649 -2.573 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.547 18.531 -0.175 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.829 17.232 -1.107 1.00 0.00 H new ATOM 0 HG SER A 10 0.732 18.829 -0.479 1.00 0.00 H new ATOM 118 N ASN A 11 -0.485 17.941 -4.047 1.00 0.00 N ATOM 119 CA ASN A 11 -0.039 17.168 -5.201 1.00 0.00 C ATOM 120 C ASN A 11 1.268 16.441 -4.896 1.00 0.00 C ATOM 121 O ASN A 11 2.164 16.375 -5.737 1.00 0.00 O ATOM 122 CB ASN A 11 0.145 18.082 -6.414 1.00 0.00 C ATOM 123 CG ASN A 11 -0.944 19.133 -6.516 1.00 0.00 C ATOM 124 OD1 ASN A 11 -2.132 18.823 -6.423 1.00 0.00 O ATOM 125 ND2 ASN A 11 -0.542 20.384 -6.708 1.00 0.00 N ATOM 0 H ASN A 11 0.181 18.645 -3.728 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.804 16.425 -5.427 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.116 18.573 -6.351 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.151 17.479 -7.322 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.229 21.134 -6.784 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.453 20.595 -6.779 1.00 0.00 H new ATOM 132 N ILE A 12 1.367 15.896 -3.688 1.00 0.00 N ATOM 133 CA ILE A 12 2.562 15.172 -3.273 1.00 0.00 C ATOM 134 C ILE A 12 2.728 13.882 -4.070 1.00 0.00 C ATOM 135 O ILE A 12 3.843 13.499 -4.426 1.00 0.00 O ATOM 136 CB ILE A 12 2.522 14.833 -1.771 1.00 0.00 C ATOM 137 CG1 ILE A 12 1.367 13.875 -1.473 1.00 0.00 C ATOM 138 CG2 ILE A 12 2.391 16.104 -0.945 1.00 0.00 C ATOM 139 CD1 ILE A 12 1.073 13.724 0.003 1.00 0.00 C ATOM 0 H ILE A 12 0.634 15.942 -2.980 1.00 0.00 H new ATOM 0 HA ILE A 12 3.411 15.828 -3.466 1.00 0.00 H new ATOM 0 HB ILE A 12 3.456 14.341 -1.499 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.470 14.232 -1.979 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.601 12.896 -1.891 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.364 15.848 0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.244 16.754 -1.140 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.471 16.621 -1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.243 13.031 0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.956 13.338 0.512 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.808 14.695 0.422 1.00 0.00 H new ATOM 151 N PHE A 13 1.612 13.218 -4.348 1.00 0.00 N ATOM 152 CA PHE A 13 1.633 11.971 -5.104 1.00 0.00 C ATOM 153 C PHE A 13 1.357 12.226 -6.583 1.00 0.00 C ATOM 154 O PHE A 13 0.909 11.335 -7.304 1.00 0.00 O ATOM 155 CB PHE A 13 0.599 10.992 -4.543 1.00 0.00 C ATOM 156 CG PHE A 13 0.727 10.768 -3.063 1.00 0.00 C ATOM 157 CD1 PHE A 13 1.971 10.575 -2.483 1.00 0.00 C ATOM 158 CD2 PHE A 13 -0.396 10.750 -2.252 1.00 0.00 C ATOM 159 CE1 PHE A 13 2.093 10.369 -1.122 1.00 0.00 C ATOM 160 CE2 PHE A 13 -0.280 10.545 -0.890 1.00 0.00 C ATOM 161 CZ PHE A 13 0.965 10.353 -0.324 1.00 0.00 C ATOM 0 H PHE A 13 0.681 13.522 -4.061 1.00 0.00 H new ATOM 0 HA PHE A 13 2.627 11.534 -5.008 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.401 11.368 -4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.699 10.036 -5.057 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.856 10.586 -3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.373 10.898 -2.689 1.00 0.00 H new ATOM 0 HE1 PHE A 13 3.068 10.221 -0.683 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.163 10.535 -0.268 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.057 10.191 0.740 1.00 0.00 H new ATOM 171 N GLU A 14 1.628 13.450 -7.026 1.00 0.00 N ATOM 172 CA GLU A 14 1.407 13.823 -8.419 1.00 0.00 C ATOM 173 C GLU A 14 2.072 12.824 -9.361 1.00 0.00 C ATOM 174 O GLU A 14 3.271 12.564 -9.262 1.00 0.00 O ATOM 175 CB GLU A 14 1.948 15.230 -8.684 1.00 0.00 C ATOM 176 CG GLU A 14 1.458 15.833 -9.990 1.00 0.00 C ATOM 177 CD GLU A 14 0.150 16.583 -9.832 1.00 0.00 C ATOM 178 OE1 GLU A 14 -0.917 15.940 -9.915 1.00 0.00 O ATOM 179 OE2 GLU A 14 0.194 17.814 -9.625 1.00 0.00 O ATOM 0 H GLU A 14 2.000 14.199 -6.442 1.00 0.00 H new ATOM 0 HA GLU A 14 0.333 13.813 -8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.658 15.883 -7.861 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.037 15.195 -8.695 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.217 16.512 -10.380 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.331 15.040 -10.727 1.00 0.00 H new ATOM 186 N ASP A 15 1.284 12.269 -10.275 1.00 0.00 N ATOM 187 CA ASP A 15 1.795 11.299 -11.237 1.00 0.00 C ATOM 188 C ASP A 15 2.299 10.045 -10.529 1.00 0.00 C ATOM 189 O ASP A 15 3.295 9.447 -10.936 1.00 0.00 O ATOM 190 CB ASP A 15 2.921 11.917 -12.068 1.00 0.00 C ATOM 191 CG ASP A 15 2.404 12.638 -13.297 1.00 0.00 C ATOM 192 OD1 ASP A 15 1.804 13.723 -13.141 1.00 0.00 O ATOM 193 OD2 ASP A 15 2.599 12.118 -14.416 1.00 0.00 O ATOM 0 H ASP A 15 0.289 12.474 -10.370 1.00 0.00 H new ATOM 0 HA ASP A 15 0.977 11.017 -11.900 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.483 12.617 -11.450 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.614 11.134 -12.374 1.00 0.00 H new ATOM 198 N VAL A 16 1.604 9.652 -9.466 1.00 0.00 N ATOM 199 CA VAL A 16 1.981 8.469 -8.701 1.00 0.00 C ATOM 200 C VAL A 16 0.812 7.497 -8.582 1.00 0.00 C ATOM 201 O VAL A 16 -0.265 7.862 -8.113 1.00 0.00 O ATOM 202 CB VAL A 16 2.467 8.846 -7.289 1.00 0.00 C ATOM 203 CG1 VAL A 16 2.859 7.600 -6.509 1.00 0.00 C ATOM 204 CG2 VAL A 16 3.630 9.823 -7.369 1.00 0.00 C ATOM 0 H VAL A 16 0.777 10.135 -9.115 1.00 0.00 H new ATOM 0 HA VAL A 16 2.796 7.988 -9.241 1.00 0.00 H new ATOM 0 HB VAL A 16 1.648 9.334 -6.760 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.200 7.886 -5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.997 6.939 -6.421 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.662 7.081 -7.032 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.961 10.078 -6.362 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.454 9.364 -7.916 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.310 10.728 -7.886 1.00 0.00 H new ATOM 214 N GLU A 17 1.035 6.258 -9.010 1.00 0.00 N ATOM 215 CA GLU A 17 -0.001 5.233 -8.951 1.00 0.00 C ATOM 216 C GLU A 17 0.020 4.515 -7.605 1.00 0.00 C ATOM 217 O GLU A 17 1.041 4.492 -6.917 1.00 0.00 O ATOM 218 CB GLU A 17 0.187 4.222 -10.084 1.00 0.00 C ATOM 219 CG GLU A 17 -0.943 3.212 -10.191 1.00 0.00 C ATOM 220 CD GLU A 17 -1.098 2.656 -11.593 1.00 0.00 C ATOM 221 OE1 GLU A 17 -1.329 3.453 -12.526 1.00 0.00 O ATOM 222 OE2 GLU A 17 -0.987 1.423 -11.758 1.00 0.00 O ATOM 0 H GLU A 17 1.922 5.940 -9.401 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.968 5.722 -9.067 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.274 4.759 -11.028 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.126 3.690 -9.933 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.759 2.392 -9.497 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.877 3.684 -9.886 1.00 0.00 H new ATOM 229 N PHE A 18 -1.115 3.930 -7.235 1.00 0.00 N ATOM 230 CA PHE A 18 -1.228 3.213 -5.971 1.00 0.00 C ATOM 231 C PHE A 18 -2.109 1.976 -6.124 1.00 0.00 C ATOM 232 O PHE A 18 -2.993 1.934 -6.981 1.00 0.00 O ATOM 233 CB PHE A 18 -1.801 4.130 -4.889 1.00 0.00 C ATOM 234 CG PHE A 18 -0.944 5.330 -4.605 1.00 0.00 C ATOM 235 CD1 PHE A 18 -1.016 6.456 -5.410 1.00 0.00 C ATOM 236 CD2 PHE A 18 -0.066 5.333 -3.533 1.00 0.00 C ATOM 237 CE1 PHE A 18 -0.229 7.562 -5.151 1.00 0.00 C ATOM 238 CE2 PHE A 18 0.723 6.436 -3.269 1.00 0.00 C ATOM 239 CZ PHE A 18 0.643 7.552 -4.080 1.00 0.00 C ATOM 0 H PHE A 18 -1.969 3.939 -7.793 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.230 2.892 -5.674 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.792 4.465 -5.196 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -1.928 3.559 -3.970 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.695 6.469 -6.250 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.002 4.463 -2.897 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.296 8.433 -5.786 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.402 6.426 -2.429 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.261 8.414 -3.877 1.00 0.00 H new ATOM 249 N CYS A 19 -1.861 0.973 -5.290 1.00 0.00 N ATOM 250 CA CYS A 19 -2.630 -0.265 -5.333 1.00 0.00 C ATOM 251 C CYS A 19 -2.923 -0.773 -3.925 1.00 0.00 C ATOM 252 O CYS A 19 -2.012 -1.155 -3.190 1.00 0.00 O ATOM 253 CB CYS A 19 -1.874 -1.332 -6.126 1.00 0.00 C ATOM 254 SG CYS A 19 -2.940 -2.575 -6.893 1.00 0.00 S ATOM 0 H CYS A 19 -1.133 0.993 -4.576 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.578 -0.057 -5.829 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -1.286 -0.843 -6.903 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -1.170 -1.833 -5.461 1.00 0.00 H new ATOM 0 HG CYS A 19 -4.151 -2.111 -6.984 1.00 0.00 H new ATOM 260 N VAL A 20 -4.199 -0.772 -3.554 1.00 0.00 N ATOM 261 CA VAL A 20 -4.612 -1.232 -2.234 1.00 0.00 C ATOM 262 C VAL A 20 -5.214 -2.631 -2.302 1.00 0.00 C ATOM 263 O VAL A 20 -6.050 -2.917 -3.160 1.00 0.00 O ATOM 264 CB VAL A 20 -5.639 -0.274 -1.601 1.00 0.00 C ATOM 265 CG1 VAL A 20 -6.111 -0.808 -0.258 1.00 0.00 C ATOM 266 CG2 VAL A 20 -5.045 1.119 -1.451 1.00 0.00 C ATOM 0 H VAL A 20 -4.965 -0.457 -4.150 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.716 -1.255 -1.613 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.503 -0.207 -2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.836 -0.118 0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.577 -1.783 -0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.259 -0.906 0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.784 1.783 -1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.164 1.072 -0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.762 1.501 -2.432 1.00 0.00 H new ATOM 276 N MET A 21 -4.785 -3.500 -1.393 1.00 0.00 N ATOM 277 CA MET A 21 -5.283 -4.870 -1.350 1.00 0.00 C ATOM 278 C MET A 21 -6.285 -5.047 -0.214 1.00 0.00 C ATOM 279 O MET A 21 -7.277 -5.764 -0.354 1.00 0.00 O ATOM 280 CB MET A 21 -4.123 -5.852 -1.180 1.00 0.00 C ATOM 281 CG MET A 21 -3.203 -5.921 -2.389 1.00 0.00 C ATOM 282 SD MET A 21 -4.078 -6.360 -3.903 1.00 0.00 S ATOM 283 CE MET A 21 -3.286 -5.268 -5.081 1.00 0.00 C ATOM 0 H MET A 21 -4.094 -3.280 -0.676 1.00 0.00 H new ATOM 0 HA MET A 21 -5.789 -5.077 -2.293 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.539 -5.564 -0.305 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.525 -6.846 -0.982 1.00 0.00 H new ATOM 0 HG2 MET A 21 -2.713 -4.957 -2.524 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.418 -6.654 -2.202 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.873 -5.236 -5.999 1.00 0.00 H new ATOM 0 HE2 MET A 21 -3.217 -4.266 -4.659 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.285 -5.637 -5.303 1.00 0.00 H new ATOM 293 N SER A 22 -6.020 -4.392 0.912 1.00 0.00 N ATOM 294 CA SER A 22 -6.897 -4.481 2.073 1.00 0.00 C ATOM 295 C SER A 22 -6.456 -3.509 3.163 1.00 0.00 C ATOM 296 O SER A 22 -5.276 -3.178 3.275 1.00 0.00 O ATOM 297 CB SER A 22 -6.909 -5.909 2.621 1.00 0.00 C ATOM 298 OG SER A 22 -7.755 -6.014 3.753 1.00 0.00 O ATOM 0 H SER A 22 -5.205 -3.794 1.045 1.00 0.00 H new ATOM 0 HA SER A 22 -7.905 -4.212 1.757 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.247 -6.597 1.846 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.896 -6.207 2.891 1.00 0.00 H new ATOM 0 HG SER A 22 -7.747 -6.937 4.083 1.00 0.00 H new ATOM 304 N GLY A 23 -7.414 -3.055 3.966 1.00 0.00 N ATOM 305 CA GLY A 23 -7.105 -2.126 5.037 1.00 0.00 C ATOM 306 C GLY A 23 -7.444 -2.684 6.405 1.00 0.00 C ATOM 307 O GLY A 23 -7.810 -3.853 6.534 1.00 0.00 O ATOM 0 H GLY A 23 -8.398 -3.314 3.894 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.045 -1.876 5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.656 -1.199 4.880 1.00 0.00 H new ATOM 311 N THR A 24 -7.320 -1.848 7.431 1.00 0.00 N ATOM 312 CA THR A 24 -7.613 -2.265 8.796 1.00 0.00 C ATOM 313 C THR A 24 -9.034 -1.883 9.195 1.00 0.00 C ATOM 314 O THR A 24 -9.769 -1.282 8.411 1.00 0.00 O ATOM 315 CB THR A 24 -6.625 -1.639 9.799 1.00 0.00 C ATOM 316 OG1 THR A 24 -6.772 -0.215 9.808 1.00 0.00 O ATOM 317 CG2 THR A 24 -5.192 -2.004 9.446 1.00 0.00 C ATOM 0 H THR A 24 -7.018 -0.878 7.342 1.00 0.00 H new ATOM 0 HA THR A 24 -7.510 -3.350 8.824 1.00 0.00 H new ATOM 0 HB THR A 24 -6.850 -2.033 10.790 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.142 0.175 10.449 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.513 -1.551 10.168 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.076 -3.088 9.469 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.958 -1.636 8.447 1.00 0.00 H new ATOM 325 N ASP A 25 -9.415 -2.235 10.418 1.00 0.00 N ATOM 326 CA ASP A 25 -10.749 -1.928 10.922 1.00 0.00 C ATOM 327 C ASP A 25 -11.064 -0.444 10.756 1.00 0.00 C ATOM 328 O ASP A 25 -11.941 -0.069 9.979 1.00 0.00 O ATOM 329 CB ASP A 25 -10.865 -2.325 12.394 1.00 0.00 C ATOM 330 CG ASP A 25 -12.303 -2.545 12.822 1.00 0.00 C ATOM 331 OD1 ASP A 25 -12.966 -3.428 12.240 1.00 0.00 O ATOM 332 OD2 ASP A 25 -12.765 -1.834 13.740 1.00 0.00 O ATOM 0 H ASP A 25 -8.819 -2.733 11.079 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.471 -2.502 10.341 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.294 -3.237 12.568 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.419 -1.547 13.014 1.00 0.00 H new ATOM 337 N SER A 26 -10.342 0.395 11.492 1.00 0.00 N ATOM 338 CA SER A 26 -10.548 1.837 11.430 1.00 0.00 C ATOM 339 C SER A 26 -10.351 2.353 10.008 1.00 0.00 C ATOM 340 O SER A 26 -11.135 3.167 9.519 1.00 0.00 O ATOM 341 CB SER A 26 -9.586 2.552 12.381 1.00 0.00 C ATOM 342 OG SER A 26 -9.830 3.948 12.399 1.00 0.00 O ATOM 0 H SER A 26 -9.609 0.101 12.138 1.00 0.00 H new ATOM 0 HA SER A 26 -11.573 2.046 11.736 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.697 2.147 13.387 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.558 2.363 12.073 1.00 0.00 H new ATOM 0 HG SER A 26 -9.203 4.382 13.015 1.00 0.00 H new ATOM 348 N GLN A 27 -9.300 1.873 9.351 1.00 0.00 N ATOM 349 CA GLN A 27 -9.000 2.287 7.985 1.00 0.00 C ATOM 350 C GLN A 27 -9.167 1.122 7.015 1.00 0.00 C ATOM 351 O GLN A 27 -8.253 0.325 6.801 1.00 0.00 O ATOM 352 CB GLN A 27 -7.577 2.839 7.898 1.00 0.00 C ATOM 353 CG GLN A 27 -7.309 3.985 8.860 1.00 0.00 C ATOM 354 CD GLN A 27 -5.836 4.145 9.182 1.00 0.00 C ATOM 355 OE1 GLN A 27 -5.434 4.091 10.345 1.00 0.00 O ATOM 356 NE2 GLN A 27 -5.023 4.343 8.151 1.00 0.00 N ATOM 0 H GLN A 27 -8.643 1.198 9.742 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.703 3.072 7.707 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.871 2.034 8.100 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.390 3.179 6.880 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.685 4.912 8.428 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.863 3.816 9.784 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.400 4.381 7.204 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.021 4.457 8.306 1.00 0.00 H new ATOM 365 N PRO A 28 -10.360 1.018 6.413 1.00 0.00 N ATOM 366 CA PRO A 28 -10.674 -0.046 5.455 1.00 0.00 C ATOM 367 C PRO A 28 -9.916 0.113 4.142 1.00 0.00 C ATOM 368 O PRO A 28 -9.010 0.940 4.032 1.00 0.00 O ATOM 369 CB PRO A 28 -12.179 0.115 5.226 1.00 0.00 C ATOM 370 CG PRO A 28 -12.458 1.546 5.530 1.00 0.00 C ATOM 371 CD PRO A 28 -11.496 1.933 6.620 1.00 0.00 C ATOM 0 HA PRO A 28 -10.389 -1.029 5.830 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.452 -0.132 4.200 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.751 -0.547 5.876 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.317 2.168 4.646 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.490 1.682 5.854 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.192 2.976 6.536 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.938 1.808 7.609 1.00 0.00 H new ATOM 379 N LYS A 29 -10.292 -0.683 3.146 1.00 0.00 N ATOM 380 CA LYS A 29 -9.649 -0.630 1.839 1.00 0.00 C ATOM 381 C LYS A 29 -10.078 0.617 1.072 1.00 0.00 C ATOM 382 O LYS A 29 -9.259 1.454 0.692 1.00 0.00 O ATOM 383 CB LYS A 29 -9.990 -1.882 1.029 1.00 0.00 C ATOM 384 CG LYS A 29 -10.033 -1.644 -0.471 1.00 0.00 C ATOM 385 CD LYS A 29 -9.785 -2.926 -1.247 1.00 0.00 C ATOM 386 CE LYS A 29 -11.085 -3.655 -1.550 1.00 0.00 C ATOM 387 NZ LYS A 29 -11.900 -2.935 -2.567 1.00 0.00 N ATOM 0 H LYS A 29 -11.040 -1.373 3.220 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.571 -0.587 1.994 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.253 -2.656 1.245 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.957 -2.263 1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.004 -1.233 -0.747 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.283 -0.902 -0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.271 -2.694 -2.180 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.126 -3.578 -0.673 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.863 -4.660 -1.908 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.663 -3.764 -0.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.594 -3.589 -2.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.398 -2.142 -2.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.277 -2.571 -3.316 1.00 0.00 H new ATOM 401 N PRO A 30 -11.393 0.746 0.839 1.00 0.00 N ATOM 402 CA PRO A 30 -11.960 1.889 0.117 1.00 0.00 C ATOM 403 C PRO A 30 -11.876 3.182 0.921 1.00 0.00 C ATOM 404 O PRO A 30 -12.575 4.153 0.629 1.00 0.00 O ATOM 405 CB PRO A 30 -13.421 1.485 -0.094 1.00 0.00 C ATOM 406 CG PRO A 30 -13.712 0.524 1.007 1.00 0.00 C ATOM 407 CD PRO A 30 -12.426 -0.213 1.262 1.00 0.00 C ATOM 0 HA PRO A 30 -11.422 2.094 -0.808 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.082 2.351 -0.048 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.567 1.024 -1.071 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -14.047 1.046 1.903 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.508 -0.165 0.724 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.319 -0.482 2.313 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.373 -1.139 0.689 1.00 0.00 H new ATOM 415 N ASP A 31 -11.016 3.189 1.934 1.00 0.00 N ATOM 416 CA ASP A 31 -10.840 4.364 2.779 1.00 0.00 C ATOM 417 C ASP A 31 -9.649 5.195 2.312 1.00 0.00 C ATOM 418 O ASP A 31 -9.753 6.412 2.150 1.00 0.00 O ATOM 419 CB ASP A 31 -10.645 3.945 4.237 1.00 0.00 C ATOM 420 CG ASP A 31 -9.697 4.864 4.982 1.00 0.00 C ATOM 421 OD1 ASP A 31 -9.845 6.097 4.855 1.00 0.00 O ATOM 422 OD2 ASP A 31 -8.807 4.351 5.692 1.00 0.00 O ATOM 0 H ASP A 31 -10.430 2.394 2.190 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.739 4.975 2.702 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.611 3.938 4.742 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -10.260 2.926 4.271 1.00 0.00 H new ATOM 427 N LEU A 32 -8.518 4.531 2.099 1.00 0.00 N ATOM 428 CA LEU A 32 -7.306 5.209 1.652 1.00 0.00 C ATOM 429 C LEU A 32 -7.384 5.538 0.164 1.00 0.00 C ATOM 430 O LEU A 32 -6.925 6.593 -0.272 1.00 0.00 O ATOM 431 CB LEU A 32 -6.079 4.339 1.930 1.00 0.00 C ATOM 432 CG LEU A 32 -5.998 3.720 3.326 1.00 0.00 C ATOM 433 CD1 LEU A 32 -5.253 2.395 3.280 1.00 0.00 C ATOM 434 CD2 LEU A 32 -5.323 4.680 4.295 1.00 0.00 C ATOM 0 H LEU A 32 -8.415 3.525 2.229 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.215 6.142 2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.055 3.534 1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.186 4.943 1.770 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.012 3.531 3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.205 1.969 4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.777 1.706 2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.242 2.559 2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.274 4.224 5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.314 4.900 3.946 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.897 5.605 4.350 1.00 0.00 H new ATOM 446 N GLU A 33 -7.969 4.628 -0.608 1.00 0.00 N ATOM 447 CA GLU A 33 -8.108 4.824 -2.047 1.00 0.00 C ATOM 448 C GLU A 33 -8.626 6.225 -2.358 1.00 0.00 C ATOM 449 O GLU A 33 -8.089 6.919 -3.220 1.00 0.00 O ATOM 450 CB GLU A 33 -9.054 3.776 -2.637 1.00 0.00 C ATOM 451 CG GLU A 33 -8.603 2.345 -2.396 1.00 0.00 C ATOM 452 CD GLU A 33 -9.330 1.348 -3.277 1.00 0.00 C ATOM 453 OE1 GLU A 33 -10.528 1.564 -3.555 1.00 0.00 O ATOM 454 OE2 GLU A 33 -8.701 0.351 -3.689 1.00 0.00 O ATOM 0 H GLU A 33 -8.354 3.749 -0.262 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.123 4.711 -2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.047 3.912 -2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.145 3.944 -3.710 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.531 2.270 -2.578 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.768 2.087 -1.350 1.00 0.00 H new ATOM 461 N ASN A 34 -9.674 6.633 -1.649 1.00 0.00 N ATOM 462 CA ASN A 34 -10.266 7.951 -1.850 1.00 0.00 C ATOM 463 C ASN A 34 -9.273 9.053 -1.494 1.00 0.00 C ATOM 464 O ASN A 34 -9.004 9.945 -2.300 1.00 0.00 O ATOM 465 CB ASN A 34 -11.533 8.098 -1.005 1.00 0.00 C ATOM 466 CG ASN A 34 -12.769 7.596 -1.725 1.00 0.00 C ATOM 467 OD1 ASN A 34 -12.957 7.856 -2.914 1.00 0.00 O ATOM 468 ND2 ASN A 34 -13.621 6.874 -1.006 1.00 0.00 N ATOM 0 H ASN A 34 -10.130 6.070 -0.931 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.527 8.048 -2.904 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.410 7.547 -0.072 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.671 9.146 -0.741 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.471 6.511 -1.436 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.425 6.683 -0.023 1.00 0.00 H new ATOM 475 N ARG A 35 -8.731 8.985 -0.282 1.00 0.00 N ATOM 476 CA ARG A 35 -7.768 9.978 0.181 1.00 0.00 C ATOM 477 C ARG A 35 -6.636 10.149 -0.828 1.00 0.00 C ATOM 478 O ARG A 35 -6.484 11.211 -1.431 1.00 0.00 O ATOM 479 CB ARG A 35 -7.197 9.570 1.540 1.00 0.00 C ATOM 480 CG ARG A 35 -8.184 9.724 2.686 1.00 0.00 C ATOM 481 CD ARG A 35 -7.473 10.012 3.999 1.00 0.00 C ATOM 482 NE ARG A 35 -8.216 9.500 5.147 1.00 0.00 N ATOM 483 CZ ARG A 35 -8.016 9.912 6.394 1.00 0.00 C ATOM 484 NH1 ARG A 35 -7.101 10.836 6.652 1.00 0.00 N ATOM 485 NH2 ARG A 35 -8.732 9.399 7.387 1.00 0.00 N ATOM 0 H ARG A 35 -8.942 8.253 0.397 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.287 10.931 0.284 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.870 8.531 1.490 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.313 10.173 1.749 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.879 10.533 2.462 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.775 8.813 2.783 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.480 9.562 3.980 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.334 11.088 4.108 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.927 8.787 4.983 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.548 11.233 5.892 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.950 11.150 7.611 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.437 8.688 7.193 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.577 9.716 8.344 1.00 0.00 H new ATOM 499 N ILE A 36 -5.844 9.096 -1.005 1.00 0.00 N ATOM 500 CA ILE A 36 -4.726 9.130 -1.940 1.00 0.00 C ATOM 501 C ILE A 36 -5.057 9.983 -3.160 1.00 0.00 C ATOM 502 O ILE A 36 -4.360 10.952 -3.459 1.00 0.00 O ATOM 503 CB ILE A 36 -4.340 7.714 -2.407 1.00 0.00 C ATOM 504 CG1 ILE A 36 -3.835 6.884 -1.225 1.00 0.00 C ATOM 505 CG2 ILE A 36 -3.284 7.787 -3.500 1.00 0.00 C ATOM 506 CD1 ILE A 36 -3.652 5.418 -1.551 1.00 0.00 C ATOM 0 H ILE A 36 -5.956 8.209 -0.513 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.883 9.571 -1.409 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.225 7.228 -2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.884 7.293 -0.884 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.538 6.979 -0.398 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.021 6.779 -3.820 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.677 8.346 -4.349 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.396 8.288 -3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.292 4.891 -0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.606 4.993 -1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.926 5.312 -2.357 1.00 0.00 H new ATOM 518 N ALA A 37 -6.125 9.617 -3.860 1.00 0.00 N ATOM 519 CA ALA A 37 -6.550 10.350 -5.045 1.00 0.00 C ATOM 520 C ALA A 37 -6.623 11.848 -4.767 1.00 0.00 C ATOM 521 O ALA A 37 -6.183 12.661 -5.579 1.00 0.00 O ATOM 522 CB ALA A 37 -7.898 9.836 -5.530 1.00 0.00 C ATOM 0 H ALA A 37 -6.712 8.816 -3.626 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.809 10.187 -5.827 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.203 10.393 -6.416 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.816 8.778 -5.777 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.642 9.969 -4.745 1.00 0.00 H new ATOM 528 N GLU A 38 -7.183 12.205 -3.615 1.00 0.00 N ATOM 529 CA GLU A 38 -7.314 13.606 -3.232 1.00 0.00 C ATOM 530 C GLU A 38 -5.948 14.283 -3.170 1.00 0.00 C ATOM 531 O GLU A 38 -5.842 15.503 -3.292 1.00 0.00 O ATOM 532 CB GLU A 38 -8.017 13.724 -1.878 1.00 0.00 C ATOM 533 CG GLU A 38 -9.434 13.175 -1.878 1.00 0.00 C ATOM 534 CD GLU A 38 -10.227 13.608 -3.096 1.00 0.00 C ATOM 535 OE1 GLU A 38 -10.686 14.769 -3.123 1.00 0.00 O ATOM 536 OE2 GLU A 38 -10.389 12.785 -4.021 1.00 0.00 O ATOM 0 H GLU A 38 -7.553 11.544 -2.932 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.915 14.109 -3.990 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.431 13.195 -1.127 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.043 14.773 -1.582 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.398 12.086 -1.841 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.949 13.508 -0.977 1.00 0.00 H new ATOM 543 N PHE A 39 -4.906 13.482 -2.977 1.00 0.00 N ATOM 544 CA PHE A 39 -3.546 14.003 -2.896 1.00 0.00 C ATOM 545 C PHE A 39 -2.870 13.975 -4.264 1.00 0.00 C ATOM 546 O PHE A 39 -1.646 14.046 -4.366 1.00 0.00 O ATOM 547 CB PHE A 39 -2.725 13.190 -1.893 1.00 0.00 C ATOM 548 CG PHE A 39 -2.789 13.727 -0.491 1.00 0.00 C ATOM 549 CD1 PHE A 39 -1.887 14.687 -0.061 1.00 0.00 C ATOM 550 CD2 PHE A 39 -3.752 13.272 0.395 1.00 0.00 C ATOM 551 CE1 PHE A 39 -1.944 15.182 1.228 1.00 0.00 C ATOM 552 CE2 PHE A 39 -3.814 13.764 1.686 1.00 0.00 C ATOM 553 CZ PHE A 39 -2.909 14.721 2.102 1.00 0.00 C ATOM 0 H PHE A 39 -4.977 12.470 -2.874 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.600 15.038 -2.558 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.080 12.159 -1.895 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.685 13.170 -2.219 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.131 15.052 -0.741 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.462 12.525 0.074 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.234 15.929 1.552 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.569 13.401 2.368 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.956 15.108 3.109 1.00 0.00 H new ATOM 563 N GLY A 40 -3.678 13.869 -5.315 1.00 0.00 N ATOM 564 CA GLY A 40 -3.142 13.833 -6.663 1.00 0.00 C ATOM 565 C GLY A 40 -2.496 12.502 -6.994 1.00 0.00 C ATOM 566 O GLY A 40 -1.426 12.457 -7.600 1.00 0.00 O ATOM 0 H GLY A 40 -4.694 13.807 -5.257 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.943 14.032 -7.375 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.407 14.629 -6.780 1.00 0.00 H new ATOM 570 N GLY A 41 -3.147 11.414 -6.593 1.00 0.00 N ATOM 571 CA GLY A 41 -2.613 10.090 -6.858 1.00 0.00 C ATOM 572 C GLY A 41 -3.591 9.212 -7.613 1.00 0.00 C ATOM 573 O GLY A 41 -4.789 9.492 -7.648 1.00 0.00 O ATOM 0 H GLY A 41 -4.034 11.426 -6.090 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.692 10.181 -7.434 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.353 9.611 -5.914 1.00 0.00 H new ATOM 577 N TYR A 42 -3.079 8.147 -8.221 1.00 0.00 N ATOM 578 CA TYR A 42 -3.915 7.227 -8.983 1.00 0.00 C ATOM 579 C TYR A 42 -4.141 5.930 -8.211 1.00 0.00 C ATOM 580 O TYR A 42 -3.248 5.444 -7.517 1.00 0.00 O ATOM 581 CB TYR A 42 -3.271 6.921 -10.336 1.00 0.00 C ATOM 582 CG TYR A 42 -4.269 6.570 -11.416 1.00 0.00 C ATOM 583 CD1 TYR A 42 -4.676 5.257 -11.613 1.00 0.00 C ATOM 584 CD2 TYR A 42 -4.807 7.553 -12.239 1.00 0.00 C ATOM 585 CE1 TYR A 42 -5.588 4.932 -12.599 1.00 0.00 C ATOM 586 CE2 TYR A 42 -5.719 7.237 -13.227 1.00 0.00 C ATOM 587 CZ TYR A 42 -6.106 5.925 -13.403 1.00 0.00 C ATOM 588 OH TYR A 42 -7.016 5.606 -14.386 1.00 0.00 O ATOM 0 H TYR A 42 -2.090 7.900 -8.201 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.881 7.705 -9.147 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.691 7.786 -10.657 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.571 6.094 -10.217 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -4.273 4.476 -10.985 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.507 8.581 -12.103 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -5.893 3.906 -12.739 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.127 8.013 -13.858 1.00 0.00 H new ATOM 0 HH TYR A 42 -7.283 6.420 -14.861 1.00 0.00 H new ATOM 598 N ILE A 43 -5.342 5.376 -8.338 1.00 0.00 N ATOM 599 CA ILE A 43 -5.687 4.136 -7.654 1.00 0.00 C ATOM 600 C ILE A 43 -6.141 3.070 -8.645 1.00 0.00 C ATOM 601 O ILE A 43 -6.999 3.320 -9.493 1.00 0.00 O ATOM 602 CB ILE A 43 -6.797 4.357 -6.610 1.00 0.00 C ATOM 603 CG1 ILE A 43 -6.330 5.345 -5.539 1.00 0.00 C ATOM 604 CG2 ILE A 43 -7.202 3.034 -5.978 1.00 0.00 C ATOM 605 CD1 ILE A 43 -5.180 4.830 -4.703 1.00 0.00 C ATOM 0 H ILE A 43 -6.092 5.766 -8.908 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.785 3.796 -7.145 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.668 4.778 -7.112 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.030 6.276 -6.021 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.168 5.581 -4.883 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.987 3.208 -5.242 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.571 2.360 -6.751 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.338 2.586 -5.487 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.901 5.582 -3.965 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.482 3.915 -4.193 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.326 4.621 -5.348 1.00 0.00 H new ATOM 617 N VAL A 44 -5.562 1.879 -8.532 1.00 0.00 N ATOM 618 CA VAL A 44 -5.910 0.773 -9.416 1.00 0.00 C ATOM 619 C VAL A 44 -6.363 -0.446 -8.620 1.00 0.00 C ATOM 620 O VAL A 44 -6.488 -0.388 -7.397 1.00 0.00 O ATOM 621 CB VAL A 44 -4.721 0.375 -10.311 1.00 0.00 C ATOM 622 CG1 VAL A 44 -4.397 1.489 -11.295 1.00 0.00 C ATOM 623 CG2 VAL A 44 -3.507 0.031 -9.462 1.00 0.00 C ATOM 0 H VAL A 44 -4.850 1.655 -7.837 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.731 1.117 -10.046 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.999 -0.511 -10.882 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.555 1.190 -11.919 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.265 1.681 -11.926 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.139 2.395 -10.747 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.677 -0.248 -10.111 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.225 0.897 -8.863 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.748 -0.803 -8.803 1.00 0.00 H new ATOM 633 N GLN A 45 -6.606 -1.548 -9.322 1.00 0.00 N ATOM 634 CA GLN A 45 -7.045 -2.781 -8.680 1.00 0.00 C ATOM 635 C GLN A 45 -5.901 -3.785 -8.590 1.00 0.00 C ATOM 636 O GLN A 45 -5.666 -4.380 -7.539 1.00 0.00 O ATOM 637 CB GLN A 45 -8.217 -3.393 -9.450 1.00 0.00 C ATOM 638 CG GLN A 45 -9.572 -2.845 -9.032 1.00 0.00 C ATOM 639 CD GLN A 45 -9.776 -1.404 -9.456 1.00 0.00 C ATOM 640 OE1 GLN A 45 -9.940 -1.111 -10.641 1.00 0.00 O ATOM 641 NE2 GLN A 45 -9.767 -0.495 -8.488 1.00 0.00 N ATOM 0 H GLN A 45 -6.506 -1.612 -10.335 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.371 -2.538 -7.669 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.075 -3.213 -10.516 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.211 -4.473 -9.306 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.359 -3.462 -9.466 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.671 -2.918 -7.949 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.628 -0.783 -7.519 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.899 0.491 -8.713 1.00 0.00 H new ATOM 650 N ASN A 46 -5.193 -3.969 -9.699 1.00 0.00 N ATOM 651 CA ASN A 46 -4.073 -4.903 -9.745 1.00 0.00 C ATOM 652 C ASN A 46 -2.768 -4.172 -10.042 1.00 0.00 C ATOM 653 O ASN A 46 -2.702 -3.289 -10.897 1.00 0.00 O ATOM 654 CB ASN A 46 -4.322 -5.977 -10.806 1.00 0.00 C ATOM 655 CG ASN A 46 -5.710 -6.579 -10.705 1.00 0.00 C ATOM 656 OD1 ASN A 46 -6.549 -6.384 -11.584 1.00 0.00 O ATOM 657 ND2 ASN A 46 -5.958 -7.317 -9.629 1.00 0.00 N ATOM 0 H ASN A 46 -5.374 -3.484 -10.578 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.988 -5.379 -8.768 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.189 -5.543 -11.797 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.578 -6.767 -10.701 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.874 -7.749 -9.507 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.232 -7.452 -8.925 1.00 0.00 H new ATOM 664 N PRO A 47 -1.702 -4.548 -9.319 1.00 0.00 N ATOM 665 CA PRO A 47 -0.378 -3.942 -9.487 1.00 0.00 C ATOM 666 C PRO A 47 0.268 -4.319 -10.816 1.00 0.00 C ATOM 667 O PRO A 47 0.389 -5.498 -11.146 1.00 0.00 O ATOM 668 CB PRO A 47 0.427 -4.518 -8.319 1.00 0.00 C ATOM 669 CG PRO A 47 -0.247 -5.806 -7.994 1.00 0.00 C ATOM 670 CD PRO A 47 -1.708 -5.594 -8.282 1.00 0.00 C ATOM 0 HA PRO A 47 -0.426 -2.853 -9.493 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.469 -4.675 -8.596 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.423 -3.842 -7.464 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.155 -6.620 -8.597 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.090 -6.076 -6.950 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.185 -6.508 -8.636 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.251 -5.275 -7.392 1.00 0.00 H new ATOM 678 N GLY A 48 0.682 -3.309 -11.576 1.00 0.00 N ATOM 679 CA GLY A 48 1.310 -3.556 -12.860 1.00 0.00 C ATOM 680 C GLY A 48 2.636 -2.836 -13.005 1.00 0.00 C ATOM 681 O GLY A 48 3.281 -2.473 -12.020 1.00 0.00 O ATOM 0 H GLY A 48 0.593 -2.324 -11.325 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.466 -4.628 -12.984 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.638 -3.237 -13.657 1.00 0.00 H new ATOM 685 N PRO A 49 3.064 -2.621 -14.258 1.00 0.00 N ATOM 686 CA PRO A 49 4.327 -1.939 -14.557 1.00 0.00 C ATOM 687 C PRO A 49 4.279 -0.454 -14.214 1.00 0.00 C ATOM 688 O PRO A 49 5.308 0.160 -13.931 1.00 0.00 O ATOM 689 CB PRO A 49 4.486 -2.135 -16.067 1.00 0.00 C ATOM 690 CG PRO A 49 3.097 -2.319 -16.574 1.00 0.00 C ATOM 691 CD PRO A 49 2.347 -3.027 -15.479 1.00 0.00 C ATOM 0 HA PRO A 49 5.155 -2.339 -13.972 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.965 -1.272 -16.530 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.107 -3.002 -16.290 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.636 -1.359 -16.805 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.091 -2.905 -17.493 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.300 -2.726 -15.449 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.364 -4.108 -15.614 1.00 0.00 H new ATOM 699 N ASP A 50 3.080 0.116 -14.241 1.00 0.00 N ATOM 700 CA ASP A 50 2.898 1.530 -13.931 1.00 0.00 C ATOM 701 C ASP A 50 2.334 1.709 -12.525 1.00 0.00 C ATOM 702 O ASP A 50 1.465 2.551 -12.296 1.00 0.00 O ATOM 703 CB ASP A 50 1.968 2.183 -14.954 1.00 0.00 C ATOM 704 CG ASP A 50 2.599 2.280 -16.330 1.00 0.00 C ATOM 705 OD1 ASP A 50 3.343 3.253 -16.573 1.00 0.00 O ATOM 706 OD2 ASP A 50 2.346 1.385 -17.163 1.00 0.00 O ATOM 0 H ASP A 50 2.219 -0.379 -14.474 1.00 0.00 H new ATOM 0 HA ASP A 50 3.873 2.015 -13.977 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.044 1.608 -15.021 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.698 3.181 -14.610 1.00 0.00 H new ATOM 711 N THR A 51 2.834 0.912 -11.586 1.00 0.00 N ATOM 712 CA THR A 51 2.379 0.982 -10.203 1.00 0.00 C ATOM 713 C THR A 51 3.533 1.302 -9.260 1.00 0.00 C ATOM 714 O THR A 51 4.617 0.729 -9.372 1.00 0.00 O ATOM 715 CB THR A 51 1.721 -0.339 -9.761 1.00 0.00 C ATOM 716 OG1 THR A 51 0.578 -0.615 -10.577 1.00 0.00 O ATOM 717 CG2 THR A 51 1.304 -0.274 -8.300 1.00 0.00 C ATOM 0 H THR A 51 3.554 0.211 -11.758 1.00 0.00 H new ATOM 0 HA THR A 51 1.640 1.782 -10.153 1.00 0.00 H new ATOM 0 HB THR A 51 2.452 -1.139 -9.878 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.173 0.228 -10.869 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.842 -1.218 -8.011 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.181 -0.094 -7.679 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.589 0.537 -8.161 1.00 0.00 H new ATOM 725 N TYR A 52 3.293 2.220 -8.330 1.00 0.00 N ATOM 726 CA TYR A 52 4.313 2.618 -7.368 1.00 0.00 C ATOM 727 C TYR A 52 4.589 1.496 -6.371 1.00 0.00 C ATOM 728 O TYR A 52 5.704 0.977 -6.297 1.00 0.00 O ATOM 729 CB TYR A 52 3.877 3.881 -6.623 1.00 0.00 C ATOM 730 CG TYR A 52 5.028 4.664 -6.032 1.00 0.00 C ATOM 731 CD1 TYR A 52 6.001 5.229 -6.848 1.00 0.00 C ATOM 732 CD2 TYR A 52 5.142 4.839 -4.659 1.00 0.00 C ATOM 733 CE1 TYR A 52 7.054 5.944 -6.312 1.00 0.00 C ATOM 734 CE2 TYR A 52 6.191 5.554 -4.114 1.00 0.00 C ATOM 735 CZ TYR A 52 7.145 6.104 -4.945 1.00 0.00 C ATOM 736 OH TYR A 52 8.192 6.817 -4.408 1.00 0.00 O ATOM 0 H TYR A 52 2.401 2.702 -8.222 1.00 0.00 H new ATOM 0 HA TYR A 52 5.231 2.827 -7.917 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.325 4.524 -7.308 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.190 3.602 -5.824 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.932 5.107 -7.919 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.397 4.409 -4.006 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.802 6.376 -6.960 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.264 5.682 -3.044 1.00 0.00 H new ATOM 0 HH TYR A 52 8.108 6.837 -3.432 1.00 0.00 H new ATOM 746 N CYS A 53 3.567 1.128 -5.607 1.00 0.00 N ATOM 747 CA CYS A 53 3.698 0.068 -4.614 1.00 0.00 C ATOM 748 C CYS A 53 2.329 -0.465 -4.204 1.00 0.00 C ATOM 749 O CYS A 53 1.298 0.016 -4.674 1.00 0.00 O ATOM 750 CB CYS A 53 4.448 0.582 -3.384 1.00 0.00 C ATOM 751 SG CYS A 53 3.678 2.017 -2.597 1.00 0.00 S ATOM 0 H CYS A 53 2.639 1.548 -5.656 1.00 0.00 H new ATOM 0 HA CYS A 53 4.266 -0.747 -5.062 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.522 -0.224 -2.654 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.466 0.843 -3.675 1.00 0.00 H new ATOM 0 HG CYS A 53 4.383 2.377 -1.566 1.00 0.00 H new ATOM 757 N VAL A 54 2.327 -1.463 -3.325 1.00 0.00 N ATOM 758 CA VAL A 54 1.084 -2.062 -2.852 1.00 0.00 C ATOM 759 C VAL A 54 0.826 -1.709 -1.391 1.00 0.00 C ATOM 760 O VAL A 54 1.761 -1.554 -0.605 1.00 0.00 O ATOM 761 CB VAL A 54 1.107 -3.594 -3.003 1.00 0.00 C ATOM 762 CG1 VAL A 54 -0.140 -4.210 -2.389 1.00 0.00 C ATOM 763 CG2 VAL A 54 1.239 -3.983 -4.468 1.00 0.00 C ATOM 0 H VAL A 54 3.172 -1.873 -2.926 1.00 0.00 H new ATOM 0 HA VAL A 54 0.281 -1.656 -3.468 1.00 0.00 H new ATOM 0 HB VAL A 54 1.974 -3.981 -2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.106 -5.293 -2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.185 -3.960 -1.329 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.024 -3.819 -2.892 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.254 -5.069 -4.556 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.393 -3.585 -5.028 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.165 -3.574 -4.871 1.00 0.00 H new ATOM 773 N ILE A 55 -0.448 -1.586 -1.035 1.00 0.00 N ATOM 774 CA ILE A 55 -0.829 -1.254 0.332 1.00 0.00 C ATOM 775 C ILE A 55 -1.656 -2.371 0.959 1.00 0.00 C ATOM 776 O ILE A 55 -2.819 -2.568 0.609 1.00 0.00 O ATOM 777 CB ILE A 55 -1.634 0.058 0.389 1.00 0.00 C ATOM 778 CG1 ILE A 55 -0.834 1.200 -0.241 1.00 0.00 C ATOM 779 CG2 ILE A 55 -2.001 0.393 1.827 1.00 0.00 C ATOM 780 CD1 ILE A 55 0.486 1.466 0.448 1.00 0.00 C ATOM 0 H ILE A 55 -1.233 -1.711 -1.674 1.00 0.00 H new ATOM 0 HA ILE A 55 0.096 -1.129 0.895 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.555 -0.073 -0.179 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.647 0.966 -1.289 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.435 2.109 -0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.569 1.323 1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.605 -0.412 2.245 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.092 0.509 2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.998 2.288 -0.052 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.306 1.731 1.490 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.106 0.571 0.404 1.00 0.00 H new ATOM 792 N ALA A 56 -1.047 -3.099 1.890 1.00 0.00 N ATOM 793 CA ALA A 56 -1.728 -4.195 2.569 1.00 0.00 C ATOM 794 C ALA A 56 -1.477 -4.149 4.072 1.00 0.00 C ATOM 795 O ALA A 56 -0.339 -4.256 4.525 1.00 0.00 O ATOM 796 CB ALA A 56 -1.278 -5.531 1.997 1.00 0.00 C ATOM 0 H ALA A 56 -0.084 -2.950 2.191 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.799 -4.084 2.402 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.794 -6.340 2.513 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.514 -5.570 0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.202 -5.642 2.134 1.00 0.00 H new ATOM 802 N GLY A 57 -2.550 -3.988 4.842 1.00 0.00 N ATOM 803 CA GLY A 57 -2.424 -3.930 6.287 1.00 0.00 C ATOM 804 C GLY A 57 -2.114 -5.282 6.897 1.00 0.00 C ATOM 805 O GLY A 57 -1.505 -5.365 7.963 1.00 0.00 O ATOM 0 H GLY A 57 -3.503 -3.897 4.491 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.635 -3.226 6.552 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.350 -3.546 6.714 1.00 0.00 H new ATOM 809 N SER A 58 -2.537 -6.346 6.220 1.00 0.00 N ATOM 810 CA SER A 58 -2.306 -7.701 6.705 1.00 0.00 C ATOM 811 C SER A 58 -1.953 -8.638 5.553 1.00 0.00 C ATOM 812 O SER A 58 -2.051 -8.264 4.384 1.00 0.00 O ATOM 813 CB SER A 58 -3.544 -8.221 7.438 1.00 0.00 C ATOM 814 OG SER A 58 -3.568 -7.768 8.781 1.00 0.00 O ATOM 0 H SER A 58 -3.041 -6.295 5.335 1.00 0.00 H new ATOM 0 HA SER A 58 -1.466 -7.673 7.399 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.444 -7.886 6.922 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.552 -9.311 7.418 1.00 0.00 H new ATOM 0 HG SER A 58 -2.965 -7.002 8.879 1.00 0.00 H new ATOM 820 N GLU A 59 -1.544 -9.856 5.892 1.00 0.00 N ATOM 821 CA GLU A 59 -1.176 -10.845 4.887 1.00 0.00 C ATOM 822 C GLU A 59 -2.371 -11.720 4.520 1.00 0.00 C ATOM 823 O GLU A 59 -2.817 -12.545 5.316 1.00 0.00 O ATOM 824 CB GLU A 59 -0.028 -11.720 5.396 1.00 0.00 C ATOM 825 CG GLU A 59 1.281 -10.967 5.567 1.00 0.00 C ATOM 826 CD GLU A 59 2.387 -11.839 6.129 1.00 0.00 C ATOM 827 OE1 GLU A 59 2.067 -12.845 6.796 1.00 0.00 O ATOM 828 OE2 GLU A 59 3.571 -11.517 5.901 1.00 0.00 O ATOM 0 H GLU A 59 -1.459 -10.181 6.855 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.850 -10.312 3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.313 -12.158 6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.125 -12.545 4.700 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.594 -10.566 4.603 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.122 -10.116 6.229 1.00 0.00 H new ATOM 835 N ASN A 60 -2.886 -11.531 3.310 1.00 0.00 N ATOM 836 CA ASN A 60 -4.031 -12.301 2.837 1.00 0.00 C ATOM 837 C ASN A 60 -3.737 -12.938 1.483 1.00 0.00 C ATOM 838 O ASN A 60 -2.649 -12.771 0.931 1.00 0.00 O ATOM 839 CB ASN A 60 -5.267 -11.405 2.735 1.00 0.00 C ATOM 840 CG ASN A 60 -5.831 -11.039 4.095 1.00 0.00 C ATOM 841 OD1 ASN A 60 -5.819 -11.849 5.022 1.00 0.00 O ATOM 842 ND2 ASN A 60 -6.328 -9.814 4.219 1.00 0.00 N ATOM 0 H ASN A 60 -2.529 -10.851 2.639 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.225 -13.096 3.557 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.008 -10.494 2.195 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.034 -11.914 2.152 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.721 -9.511 5.110 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.317 -9.176 3.423 1.00 0.00 H new ATOM 849 N ILE A 61 -4.714 -13.666 0.953 1.00 0.00 N ATOM 850 CA ILE A 61 -4.560 -14.326 -0.338 1.00 0.00 C ATOM 851 C ILE A 61 -4.029 -13.359 -1.390 1.00 0.00 C ATOM 852 O ILE A 61 -2.920 -13.525 -1.897 1.00 0.00 O ATOM 853 CB ILE A 61 -5.894 -14.920 -0.829 1.00 0.00 C ATOM 854 CG1 ILE A 61 -6.353 -16.040 0.106 1.00 0.00 C ATOM 855 CG2 ILE A 61 -5.752 -15.435 -2.253 1.00 0.00 C ATOM 856 CD1 ILE A 61 -5.491 -17.281 0.032 1.00 0.00 C ATOM 0 H ILE A 61 -5.620 -13.814 1.397 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.842 -15.134 -0.196 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.650 -14.134 -0.822 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.354 -15.669 1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.381 -16.307 -0.137 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.703 -15.852 -2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.466 -14.614 -2.910 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.985 -16.209 -2.285 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.875 -18.033 0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.509 -17.677 -0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.466 -17.029 0.305 1.00 0.00 H new ATOM 868 N ARG A 62 -4.828 -12.347 -1.713 1.00 0.00 N ATOM 869 CA ARG A 62 -4.439 -11.352 -2.704 1.00 0.00 C ATOM 870 C ARG A 62 -2.978 -10.949 -2.525 1.00 0.00 C ATOM 871 O ARG A 62 -2.154 -11.148 -3.417 1.00 0.00 O ATOM 872 CB ARG A 62 -5.336 -10.118 -2.600 1.00 0.00 C ATOM 873 CG ARG A 62 -6.787 -10.387 -2.963 1.00 0.00 C ATOM 874 CD ARG A 62 -7.596 -10.812 -1.747 1.00 0.00 C ATOM 875 NE ARG A 62 -9.000 -10.424 -1.861 1.00 0.00 N ATOM 876 CZ ARG A 62 -9.433 -9.178 -1.702 1.00 0.00 C ATOM 877 NH1 ARG A 62 -8.577 -8.205 -1.424 1.00 0.00 N ATOM 878 NH2 ARG A 62 -10.726 -8.904 -1.821 1.00 0.00 N ATOM 0 H ARG A 62 -5.749 -12.195 -1.302 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.558 -11.796 -3.693 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.291 -9.731 -1.582 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.945 -9.339 -3.255 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.227 -9.490 -3.398 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.834 -11.166 -3.724 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.527 -11.893 -1.626 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.167 -10.363 -0.851 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.685 -11.149 -2.074 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.582 -8.412 -1.332 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.913 -7.250 -1.303 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.388 -9.650 -2.035 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.058 -7.947 -1.699 1.00 0.00 H new ATOM 892 N VAL A 63 -2.665 -10.379 -1.365 1.00 0.00 N ATOM 893 CA VAL A 63 -1.304 -9.948 -1.068 1.00 0.00 C ATOM 894 C VAL A 63 -0.288 -10.997 -1.504 1.00 0.00 C ATOM 895 O VAL A 63 0.756 -10.670 -2.070 1.00 0.00 O ATOM 896 CB VAL A 63 -1.121 -9.664 0.435 1.00 0.00 C ATOM 897 CG1 VAL A 63 0.311 -9.242 0.728 1.00 0.00 C ATOM 898 CG2 VAL A 63 -2.105 -8.601 0.900 1.00 0.00 C ATOM 0 H VAL A 63 -3.335 -10.205 -0.616 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.134 -9.028 -1.627 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.324 -10.581 0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.421 -9.046 1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.993 -10.040 0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.546 -8.338 0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.962 -8.413 1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.936 -7.680 0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.124 -8.948 0.727 1.00 0.00 H new ATOM 908 N LYS A 64 -0.599 -12.261 -1.236 1.00 0.00 N ATOM 909 CA LYS A 64 0.286 -13.361 -1.601 1.00 0.00 C ATOM 910 C LYS A 64 0.656 -13.294 -3.080 1.00 0.00 C ATOM 911 O LYS A 64 1.831 -13.191 -3.431 1.00 0.00 O ATOM 912 CB LYS A 64 -0.381 -14.703 -1.293 1.00 0.00 C ATOM 913 CG LYS A 64 0.605 -15.815 -0.977 1.00 0.00 C ATOM 914 CD LYS A 64 -0.043 -17.184 -1.090 1.00 0.00 C ATOM 915 CE LYS A 64 0.671 -18.212 -0.225 1.00 0.00 C ATOM 916 NZ LYS A 64 0.356 -19.605 -0.645 1.00 0.00 N ATOM 0 H LYS A 64 -1.458 -12.549 -0.767 1.00 0.00 H new ATOM 0 HA LYS A 64 1.198 -13.271 -1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.057 -14.577 -0.447 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.990 -15.001 -2.147 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.453 -15.755 -1.659 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.997 -15.679 0.031 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.089 -17.118 -0.790 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.029 -17.510 -2.130 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.747 -18.050 -0.282 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.383 -18.073 0.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.862 -20.275 -0.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.668 -19.768 -0.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.654 -19.746 -1.631 1.00 0.00 H new ATOM 930 N ASN A 65 -0.354 -13.350 -3.941 1.00 0.00 N ATOM 931 CA ASN A 65 -0.134 -13.295 -5.382 1.00 0.00 C ATOM 932 C ASN A 65 0.938 -12.266 -5.729 1.00 0.00 C ATOM 933 O ASN A 65 1.858 -12.548 -6.496 1.00 0.00 O ATOM 934 CB ASN A 65 -1.438 -12.953 -6.105 1.00 0.00 C ATOM 935 CG ASN A 65 -2.263 -14.186 -6.423 1.00 0.00 C ATOM 936 OD1 ASN A 65 -2.154 -14.757 -7.508 1.00 0.00 O ATOM 937 ND2 ASN A 65 -3.094 -14.602 -5.474 1.00 0.00 N ATOM 0 H ASN A 65 -1.333 -13.433 -3.667 1.00 0.00 H new ATOM 0 HA ASN A 65 0.209 -14.276 -5.710 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.026 -12.275 -5.487 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.209 -12.423 -7.030 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.675 -15.426 -5.630 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.151 -14.097 -4.589 1.00 0.00 H new ATOM 944 N ILE A 66 0.811 -11.072 -5.159 1.00 0.00 N ATOM 945 CA ILE A 66 1.769 -10.002 -5.406 1.00 0.00 C ATOM 946 C ILE A 66 3.150 -10.366 -4.871 1.00 0.00 C ATOM 947 O ILE A 66 4.168 -10.035 -5.479 1.00 0.00 O ATOM 948 CB ILE A 66 1.313 -8.679 -4.763 1.00 0.00 C ATOM 949 CG1 ILE A 66 -0.013 -8.221 -5.372 1.00 0.00 C ATOM 950 CG2 ILE A 66 2.381 -7.609 -4.940 1.00 0.00 C ATOM 951 CD1 ILE A 66 -1.211 -8.991 -4.862 1.00 0.00 C ATOM 0 H ILE A 66 0.054 -10.822 -4.523 1.00 0.00 H new ATOM 0 HA ILE A 66 1.824 -9.871 -6.487 1.00 0.00 H new ATOM 0 HB ILE A 66 1.163 -8.843 -3.696 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.155 -7.162 -5.158 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.040 -8.323 -6.456 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.045 -6.680 -4.481 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.306 -7.935 -4.464 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.559 -7.445 -6.003 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.116 -8.612 -5.337 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.092 -10.048 -5.099 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.289 -8.868 -3.782 1.00 0.00 H new ATOM 963 N ILE A 67 3.175 -11.049 -3.732 1.00 0.00 N ATOM 964 CA ILE A 67 4.431 -11.460 -3.117 1.00 0.00 C ATOM 965 C ILE A 67 5.154 -12.490 -3.978 1.00 0.00 C ATOM 966 O ILE A 67 6.345 -12.353 -4.262 1.00 0.00 O ATOM 967 CB ILE A 67 4.203 -12.050 -1.713 1.00 0.00 C ATOM 968 CG1 ILE A 67 3.688 -10.970 -0.759 1.00 0.00 C ATOM 969 CG2 ILE A 67 5.490 -12.664 -1.181 1.00 0.00 C ATOM 970 CD1 ILE A 67 3.328 -11.497 0.612 1.00 0.00 C ATOM 0 H ILE A 67 2.341 -11.329 -3.217 1.00 0.00 H new ATOM 0 HA ILE A 67 5.048 -10.565 -3.031 1.00 0.00 H new ATOM 0 HB ILE A 67 3.450 -12.835 -1.783 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.449 -10.197 -0.654 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.811 -10.496 -1.199 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.313 -13.077 -0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.818 -13.459 -1.851 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.262 -11.897 -1.123 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.971 -10.677 1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.545 -12.249 0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.209 -11.945 1.072 1.00 0.00 H new ATOM 982 N LEU A 68 4.426 -13.521 -4.393 1.00 0.00 N ATOM 983 CA LEU A 68 4.997 -14.575 -5.224 1.00 0.00 C ATOM 984 C LEU A 68 5.760 -13.984 -6.406 1.00 0.00 C ATOM 985 O LEU A 68 6.949 -14.248 -6.585 1.00 0.00 O ATOM 986 CB LEU A 68 3.894 -15.506 -5.730 1.00 0.00 C ATOM 987 CG LEU A 68 2.930 -16.041 -4.671 1.00 0.00 C ATOM 988 CD1 LEU A 68 1.846 -16.890 -5.316 1.00 0.00 C ATOM 989 CD2 LEU A 68 3.683 -16.844 -3.620 1.00 0.00 C ATOM 0 H LEU A 68 3.440 -13.649 -4.168 1.00 0.00 H new ATOM 0 HA LEU A 68 5.696 -15.147 -4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.315 -14.974 -6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.363 -16.355 -6.228 1.00 0.00 H new ATOM 0 HG LEU A 68 2.454 -15.192 -4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.169 -17.262 -4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.287 -16.285 -6.030 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.304 -17.732 -5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.980 -17.217 -2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.187 -17.685 -4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.422 -16.206 -3.135 1.00 0.00 H new ATOM 1001 N SER A 69 5.068 -13.180 -7.208 1.00 0.00 N ATOM 1002 CA SER A 69 5.680 -12.552 -8.373 1.00 0.00 C ATOM 1003 C SER A 69 7.029 -11.936 -8.013 1.00 0.00 C ATOM 1004 O SER A 69 7.987 -12.023 -8.779 1.00 0.00 O ATOM 1005 CB SER A 69 4.753 -11.478 -8.945 1.00 0.00 C ATOM 1006 OG SER A 69 3.845 -12.033 -9.880 1.00 0.00 O ATOM 0 H SER A 69 4.084 -12.949 -7.072 1.00 0.00 H new ATOM 0 HA SER A 69 5.842 -13.322 -9.127 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.200 -11.002 -8.135 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.346 -10.700 -9.427 1.00 0.00 H new ATOM 0 HG SER A 69 3.263 -11.326 -10.230 1.00 0.00 H new ATOM 1012 N ASN A 70 7.094 -11.315 -6.840 1.00 0.00 N ATOM 1013 CA ASN A 70 8.325 -10.684 -6.377 1.00 0.00 C ATOM 1014 C ASN A 70 8.741 -9.552 -7.312 1.00 0.00 C ATOM 1015 O ASN A 70 9.880 -9.503 -7.776 1.00 0.00 O ATOM 1016 CB ASN A 70 9.448 -11.718 -6.279 1.00 0.00 C ATOM 1017 CG ASN A 70 10.455 -11.377 -5.198 1.00 0.00 C ATOM 1018 OD1 ASN A 70 10.502 -10.248 -4.711 1.00 0.00 O ATOM 1019 ND2 ASN A 70 11.269 -12.356 -4.818 1.00 0.00 N ATOM 0 H ASN A 70 6.310 -11.235 -6.193 1.00 0.00 H new ATOM 0 HA ASN A 70 8.139 -10.265 -5.388 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.018 -12.699 -6.075 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.959 -11.787 -7.239 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.968 -12.186 -4.095 1.00 0.00 H new ATOM 0 HD22 ASN A 70 11.195 -13.277 -5.249 1.00 0.00 H new ATOM 1026 N LYS A 71 7.810 -8.644 -7.583 1.00 0.00 N ATOM 1027 CA LYS A 71 8.079 -7.511 -8.461 1.00 0.00 C ATOM 1028 C LYS A 71 7.887 -6.191 -7.721 1.00 0.00 C ATOM 1029 O LYS A 71 8.680 -5.261 -7.872 1.00 0.00 O ATOM 1030 CB LYS A 71 7.162 -7.559 -9.685 1.00 0.00 C ATOM 1031 CG LYS A 71 7.594 -8.575 -10.729 1.00 0.00 C ATOM 1032 CD LYS A 71 8.639 -7.999 -11.669 1.00 0.00 C ATOM 1033 CE LYS A 71 8.004 -7.127 -12.742 1.00 0.00 C ATOM 1034 NZ LYS A 71 9.014 -6.610 -13.706 1.00 0.00 N ATOM 0 H LYS A 71 6.862 -8.670 -7.207 1.00 0.00 H new ATOM 0 HA LYS A 71 9.117 -7.576 -8.789 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.148 -7.793 -9.360 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.130 -6.571 -10.143 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.997 -9.458 -10.233 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.726 -8.899 -11.303 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.358 -7.411 -11.099 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.194 -8.811 -12.140 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.251 -7.703 -13.279 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.489 -6.289 -12.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.542 -6.021 -14.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.719 -6.039 -13.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.488 -7.409 -14.174 1.00 0.00 H new ATOM 1048 N HIS A 72 6.829 -6.117 -6.918 1.00 0.00 N ATOM 1049 CA HIS A 72 6.535 -4.911 -6.152 1.00 0.00 C ATOM 1050 C HIS A 72 6.674 -5.171 -4.655 1.00 0.00 C ATOM 1051 O HIS A 72 6.567 -6.310 -4.200 1.00 0.00 O ATOM 1052 CB HIS A 72 5.123 -4.414 -6.466 1.00 0.00 C ATOM 1053 CG HIS A 72 4.968 -3.893 -7.861 1.00 0.00 C ATOM 1054 ND1 HIS A 72 5.627 -2.773 -8.324 1.00 0.00 N ATOM 1055 CD2 HIS A 72 4.225 -4.345 -8.898 1.00 0.00 C ATOM 1056 CE1 HIS A 72 5.295 -2.559 -9.584 1.00 0.00 C ATOM 1057 NE2 HIS A 72 4.446 -3.499 -9.957 1.00 0.00 N ATOM 0 H HIS A 72 6.162 -6.877 -6.781 1.00 0.00 H new ATOM 0 HA HIS A 72 7.255 -4.144 -6.438 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.417 -5.230 -6.311 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.859 -3.626 -5.761 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.579 -5.210 -8.894 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.657 -1.752 -10.204 1.00 0.00 H new ATOM 0 HE2 HIS A 72 4.023 -3.583 -10.881 1.00 0.00 H new ATOM 1065 N ASP A 73 6.914 -4.108 -3.895 1.00 0.00 N ATOM 1066 CA ASP A 73 7.068 -4.221 -2.449 1.00 0.00 C ATOM 1067 C ASP A 73 5.749 -3.934 -1.738 1.00 0.00 C ATOM 1068 O ASP A 73 4.934 -3.144 -2.215 1.00 0.00 O ATOM 1069 CB ASP A 73 8.149 -3.260 -1.953 1.00 0.00 C ATOM 1070 CG ASP A 73 9.420 -3.344 -2.775 1.00 0.00 C ATOM 1071 OD1 ASP A 73 9.814 -4.470 -3.145 1.00 0.00 O ATOM 1072 OD2 ASP A 73 10.020 -2.284 -3.050 1.00 0.00 O ATOM 0 H ASP A 73 7.006 -3.158 -4.256 1.00 0.00 H new ATOM 0 HA ASP A 73 7.369 -5.243 -2.219 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.766 -2.240 -1.984 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.378 -3.482 -0.911 1.00 0.00 H new ATOM 1077 N VAL A 74 5.545 -4.581 -0.595 1.00 0.00 N ATOM 1078 CA VAL A 74 4.326 -4.395 0.182 1.00 0.00 C ATOM 1079 C VAL A 74 4.530 -3.366 1.288 1.00 0.00 C ATOM 1080 O VAL A 74 5.516 -3.418 2.024 1.00 0.00 O ATOM 1081 CB VAL A 74 3.852 -5.720 0.809 1.00 0.00 C ATOM 1082 CG1 VAL A 74 2.626 -5.491 1.679 1.00 0.00 C ATOM 1083 CG2 VAL A 74 3.563 -6.748 -0.274 1.00 0.00 C ATOM 0 H VAL A 74 6.209 -5.239 -0.187 1.00 0.00 H new ATOM 0 HA VAL A 74 3.563 -4.035 -0.508 1.00 0.00 H new ATOM 0 HB VAL A 74 4.650 -6.108 1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.306 -6.438 2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.872 -4.791 2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.820 -5.080 1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.229 -7.678 0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.783 -6.370 -0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.469 -6.934 -0.851 1.00 0.00 H new ATOM 1093 N VAL A 75 3.592 -2.431 1.400 1.00 0.00 N ATOM 1094 CA VAL A 75 3.668 -1.390 2.418 1.00 0.00 C ATOM 1095 C VAL A 75 2.401 -1.356 3.265 1.00 0.00 C ATOM 1096 O VAL A 75 1.317 -1.705 2.796 1.00 0.00 O ATOM 1097 CB VAL A 75 3.887 -0.003 1.787 1.00 0.00 C ATOM 1098 CG1 VAL A 75 4.366 0.991 2.834 1.00 0.00 C ATOM 1099 CG2 VAL A 75 4.877 -0.093 0.634 1.00 0.00 C ATOM 0 H VAL A 75 2.770 -2.373 0.798 1.00 0.00 H new ATOM 0 HA VAL A 75 4.520 -1.631 3.053 1.00 0.00 H new ATOM 0 HB VAL A 75 2.935 0.352 1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.515 1.966 2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.619 1.076 3.623 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.307 0.645 3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.020 0.896 0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.831 -0.469 1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.489 -0.771 -0.127 1.00 0.00 H new ATOM 1109 N LYS A 76 2.543 -0.933 4.516 1.00 0.00 N ATOM 1110 CA LYS A 76 1.410 -0.851 5.431 1.00 0.00 C ATOM 1111 C LYS A 76 0.561 0.381 5.135 1.00 0.00 C ATOM 1112 O LYS A 76 1.061 1.420 4.703 1.00 0.00 O ATOM 1113 CB LYS A 76 1.900 -0.811 6.880 1.00 0.00 C ATOM 1114 CG LYS A 76 2.310 -2.170 7.421 1.00 0.00 C ATOM 1115 CD LYS A 76 2.868 -2.063 8.830 1.00 0.00 C ATOM 1116 CE LYS A 76 3.394 -3.402 9.324 1.00 0.00 C ATOM 1117 NZ LYS A 76 3.890 -3.321 10.726 1.00 0.00 N ATOM 0 H LYS A 76 3.433 -0.641 4.920 1.00 0.00 H new ATOM 0 HA LYS A 76 0.793 -1.738 5.288 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.749 -0.131 6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.111 -0.401 7.510 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.449 -2.838 7.419 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.059 -2.613 6.765 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.671 -1.326 8.850 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.090 -1.705 9.504 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.602 -4.148 9.262 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.201 -3.738 8.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.240 -4.254 11.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.663 -2.627 10.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.114 -3.025 11.352 1.00 0.00 H new ATOM 1131 N PRO A 77 -0.754 0.267 5.374 1.00 0.00 N ATOM 1132 CA PRO A 77 -1.699 1.363 5.143 1.00 0.00 C ATOM 1133 C PRO A 77 -1.518 2.504 6.138 1.00 0.00 C ATOM 1134 O PRO A 77 -2.239 3.500 6.092 1.00 0.00 O ATOM 1135 CB PRO A 77 -3.065 0.699 5.333 1.00 0.00 C ATOM 1136 CG PRO A 77 -2.801 -0.460 6.231 1.00 0.00 C ATOM 1137 CD PRO A 77 -1.418 -0.942 5.890 1.00 0.00 C ATOM 0 HA PRO A 77 -1.564 1.818 4.162 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.782 1.389 5.778 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.483 0.374 4.380 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.864 -0.164 7.278 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.538 -1.248 6.077 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.904 -1.341 6.765 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.442 -1.737 5.145 1.00 0.00 H new ATOM 1145 N ALA A 78 -0.551 2.352 7.037 1.00 0.00 N ATOM 1146 CA ALA A 78 -0.274 3.371 8.041 1.00 0.00 C ATOM 1147 C ALA A 78 0.670 4.437 7.496 1.00 0.00 C ATOM 1148 O ALA A 78 0.500 5.626 7.765 1.00 0.00 O ATOM 1149 CB ALA A 78 0.313 2.734 9.292 1.00 0.00 C ATOM 0 H ALA A 78 0.054 1.532 7.090 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.216 3.855 8.300 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.515 3.507 10.033 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.397 2.015 9.701 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.242 2.223 9.039 1.00 0.00 H new ATOM 1155 N TRP A 79 1.664 4.004 6.729 1.00 0.00 N ATOM 1156 CA TRP A 79 2.636 4.923 6.147 1.00 0.00 C ATOM 1157 C TRP A 79 1.936 6.055 5.402 1.00 0.00 C ATOM 1158 O TRP A 79 2.431 7.182 5.360 1.00 0.00 O ATOM 1159 CB TRP A 79 3.572 4.173 5.197 1.00 0.00 C ATOM 1160 CG TRP A 79 4.226 5.062 4.184 1.00 0.00 C ATOM 1161 CD1 TRP A 79 5.127 6.059 4.428 1.00 0.00 C ATOM 1162 CD2 TRP A 79 4.029 5.035 2.766 1.00 0.00 C ATOM 1163 NE1 TRP A 79 5.501 6.654 3.247 1.00 0.00 N ATOM 1164 CE2 TRP A 79 4.843 6.043 2.213 1.00 0.00 C ATOM 1165 CE3 TRP A 79 3.246 4.256 1.909 1.00 0.00 C ATOM 1166 CZ2 TRP A 79 4.893 6.291 0.844 1.00 0.00 C ATOM 1167 CZ3 TRP A 79 3.297 4.503 0.551 1.00 0.00 C ATOM 1168 CH2 TRP A 79 4.116 5.513 0.029 1.00 0.00 C ATOM 0 H TRP A 79 1.818 3.023 6.496 1.00 0.00 H new ATOM 0 HA TRP A 79 3.222 5.355 6.958 1.00 0.00 H new ATOM 0 HB2 TRP A 79 4.343 3.670 5.780 1.00 0.00 H new ATOM 0 HB3 TRP A 79 3.007 3.398 4.679 1.00 0.00 H new ATOM 0 HD1 TRP A 79 5.492 6.339 5.405 1.00 0.00 H new ATOM 0 HE1 TRP A 79 6.162 7.426 3.155 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.612 3.475 2.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 5.523 7.070 0.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 2.695 3.908 -0.120 1.00 0.00 H new ATOM 0 HH2 TRP A 79 4.135 5.681 -1.038 1.00 0.00 H new ATOM 1179 N LEU A 80 0.784 5.748 4.816 1.00 0.00 N ATOM 1180 CA LEU A 80 0.016 6.741 4.073 1.00 0.00 C ATOM 1181 C LEU A 80 -0.446 7.870 4.989 1.00 0.00 C ATOM 1182 O LEU A 80 -0.313 9.048 4.655 1.00 0.00 O ATOM 1183 CB LEU A 80 -1.193 6.084 3.405 1.00 0.00 C ATOM 1184 CG LEU A 80 -0.905 5.280 2.137 1.00 0.00 C ATOM 1185 CD1 LEU A 80 -1.985 4.233 1.912 1.00 0.00 C ATOM 1186 CD2 LEU A 80 -0.796 6.204 0.933 1.00 0.00 C ATOM 0 H LEU A 80 0.361 4.820 4.841 1.00 0.00 H new ATOM 0 HA LEU A 80 0.663 7.164 3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.669 5.423 4.130 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.916 6.863 3.161 1.00 0.00 H new ATOM 0 HG LEU A 80 0.048 4.767 2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.763 3.671 1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.015 3.552 2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.952 4.725 1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.591 5.615 0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.733 6.745 0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.014 6.915 1.092 1.00 0.00 H new ATOM 1198 N LEU A 81 -0.986 7.503 6.146 1.00 0.00 N ATOM 1199 CA LEU A 81 -1.465 8.485 7.112 1.00 0.00 C ATOM 1200 C LEU A 81 -0.431 9.584 7.331 1.00 0.00 C ATOM 1201 O LEU A 81 -0.750 10.771 7.271 1.00 0.00 O ATOM 1202 CB LEU A 81 -1.791 7.803 8.443 1.00 0.00 C ATOM 1203 CG LEU A 81 -2.966 6.825 8.426 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -3.007 6.018 9.714 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -4.276 7.569 8.218 1.00 0.00 C ATOM 0 H LEU A 81 -1.103 6.533 6.438 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.371 8.940 6.711 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.904 7.268 8.781 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.998 8.576 9.183 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.828 6.135 7.594 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.850 5.327 9.684 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.080 5.455 9.820 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.121 6.693 10.563 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.101 6.857 8.209 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.422 8.283 9.029 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.245 8.101 7.267 1.00 0.00 H new ATOM 1217 N GLU A 82 0.811 9.180 7.582 1.00 0.00 N ATOM 1218 CA GLU A 82 1.892 10.132 7.808 1.00 0.00 C ATOM 1219 C GLU A 82 1.833 11.273 6.797 1.00 0.00 C ATOM 1220 O GLU A 82 2.167 12.415 7.113 1.00 0.00 O ATOM 1221 CB GLU A 82 3.248 9.427 7.719 1.00 0.00 C ATOM 1222 CG GLU A 82 3.515 8.474 8.871 1.00 0.00 C ATOM 1223 CD GLU A 82 4.992 8.328 9.178 1.00 0.00 C ATOM 1224 OE1 GLU A 82 5.759 7.983 8.255 1.00 0.00 O ATOM 1225 OE2 GLU A 82 5.382 8.560 10.342 1.00 0.00 O ATOM 0 H GLU A 82 1.093 8.201 7.634 1.00 0.00 H new ATOM 0 HA GLU A 82 1.771 10.549 8.808 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.299 8.874 6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.037 10.178 7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.997 8.832 9.761 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.099 7.495 8.632 1.00 0.00 H new ATOM 1232 N CYS A 83 1.406 10.955 5.579 1.00 0.00 N ATOM 1233 CA CYS A 83 1.303 11.952 4.520 1.00 0.00 C ATOM 1234 C CYS A 83 -0.022 12.702 4.606 1.00 0.00 C ATOM 1235 O CYS A 83 -0.129 13.848 4.168 1.00 0.00 O ATOM 1236 CB CYS A 83 1.440 11.288 3.150 1.00 0.00 C ATOM 1237 SG CYS A 83 2.566 9.874 3.124 1.00 0.00 S ATOM 0 H CYS A 83 1.126 10.014 5.301 1.00 0.00 H new ATOM 0 HA CYS A 83 2.114 12.669 4.650 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.455 10.961 2.817 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.789 12.030 2.432 1.00 0.00 H new ATOM 0 HG CYS A 83 2.177 8.994 3.998 1.00 0.00 H new ATOM 1243 N PHE A 84 -1.031 12.047 5.171 1.00 0.00 N ATOM 1244 CA PHE A 84 -2.351 12.650 5.312 1.00 0.00 C ATOM 1245 C PHE A 84 -2.377 13.637 6.475 1.00 0.00 C ATOM 1246 O PHE A 84 -3.221 14.533 6.527 1.00 0.00 O ATOM 1247 CB PHE A 84 -3.410 11.567 5.524 1.00 0.00 C ATOM 1248 CG PHE A 84 -3.408 10.509 4.458 1.00 0.00 C ATOM 1249 CD1 PHE A 84 -2.989 10.806 3.171 1.00 0.00 C ATOM 1250 CD2 PHE A 84 -3.824 9.219 4.742 1.00 0.00 C ATOM 1251 CE1 PHE A 84 -2.986 9.834 2.187 1.00 0.00 C ATOM 1252 CE2 PHE A 84 -3.824 8.243 3.763 1.00 0.00 C ATOM 1253 CZ PHE A 84 -3.403 8.551 2.484 1.00 0.00 C ATOM 0 H PHE A 84 -0.960 11.098 5.539 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.575 13.192 4.393 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.247 11.095 6.493 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.394 12.034 5.559 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.661 11.807 2.934 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.153 8.972 5.741 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.658 10.078 1.187 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.153 7.241 3.998 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.400 7.790 1.718 1.00 0.00 H new ATOM 1263 N LYS A 85 -1.447 13.467 7.409 1.00 0.00 N ATOM 1264 CA LYS A 85 -1.360 14.342 8.572 1.00 0.00 C ATOM 1265 C LYS A 85 -0.293 15.413 8.370 1.00 0.00 C ATOM 1266 O LYS A 85 -0.365 16.494 8.954 1.00 0.00 O ATOM 1267 CB LYS A 85 -1.046 13.525 9.828 1.00 0.00 C ATOM 1268 CG LYS A 85 -0.625 14.373 11.015 1.00 0.00 C ATOM 1269 CD LYS A 85 -0.767 13.611 12.322 1.00 0.00 C ATOM 1270 CE LYS A 85 -0.015 14.298 13.452 1.00 0.00 C ATOM 1271 NZ LYS A 85 1.457 14.100 13.339 1.00 0.00 N ATOM 0 H LYS A 85 -0.742 12.730 7.383 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.324 14.835 8.697 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.926 12.943 10.102 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.252 12.814 9.600 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.410 14.690 10.888 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.233 15.277 11.052 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.822 13.528 12.583 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.389 12.596 12.196 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.240 15.365 13.442 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.362 13.908 14.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.921 14.449 14.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.663 13.088 13.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.816 14.625 12.516 1.00 0.00 H new ATOM 1285 N THR A 86 0.697 15.106 7.537 1.00 0.00 N ATOM 1286 CA THR A 86 1.779 16.041 7.257 1.00 0.00 C ATOM 1287 C THR A 86 1.648 16.629 5.856 1.00 0.00 C ATOM 1288 O THR A 86 2.378 17.550 5.488 1.00 0.00 O ATOM 1289 CB THR A 86 3.156 15.365 7.391 1.00 0.00 C ATOM 1290 OG1 THR A 86 3.351 14.434 6.321 1.00 0.00 O ATOM 1291 CG2 THR A 86 3.277 14.644 8.726 1.00 0.00 C ATOM 0 H THR A 86 0.771 14.216 7.044 1.00 0.00 H new ATOM 0 HA THR A 86 1.703 16.841 7.993 1.00 0.00 H new ATOM 0 HB THR A 86 3.922 16.139 7.343 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.382 13.523 6.681 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.258 14.174 8.798 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.157 15.360 9.539 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.503 13.880 8.799 1.00 0.00 H new ATOM 1299 N LYS A 87 0.715 16.092 5.079 1.00 0.00 N ATOM 1300 CA LYS A 87 0.487 16.564 3.718 1.00 0.00 C ATOM 1301 C LYS A 87 1.805 16.708 2.964 1.00 0.00 C ATOM 1302 O LYS A 87 1.986 17.643 2.184 1.00 0.00 O ATOM 1303 CB LYS A 87 -0.250 17.905 3.739 1.00 0.00 C ATOM 1304 CG LYS A 87 -1.763 17.768 3.711 1.00 0.00 C ATOM 1305 CD LYS A 87 -2.274 16.990 4.911 1.00 0.00 C ATOM 1306 CE LYS A 87 -2.581 17.911 6.083 1.00 0.00 C ATOM 1307 NZ LYS A 87 -1.381 18.148 6.931 1.00 0.00 N ATOM 0 H LYS A 87 0.103 15.329 5.368 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.127 15.826 3.202 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.040 18.456 4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.069 18.499 2.882 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.219 18.758 3.697 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.067 17.264 2.793 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.173 16.440 4.633 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.530 16.253 5.212 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.955 18.864 5.708 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.374 17.474 6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.496 17.656 7.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.536 17.786 6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.272 19.168 7.101 1.00 0.00 H new ATOM 1321 N SER A 88 2.722 15.775 3.201 1.00 0.00 N ATOM 1322 CA SER A 88 4.024 15.800 2.545 1.00 0.00 C ATOM 1323 C SER A 88 4.469 14.390 2.168 1.00 0.00 C ATOM 1324 O SER A 88 4.035 13.408 2.770 1.00 0.00 O ATOM 1325 CB SER A 88 5.066 16.448 3.459 1.00 0.00 C ATOM 1326 OG SER A 88 4.663 17.750 3.849 1.00 0.00 O ATOM 0 H SER A 88 2.587 14.993 3.842 1.00 0.00 H new ATOM 0 HA SER A 88 3.933 16.390 1.633 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.213 15.829 4.344 1.00 0.00 H new ATOM 0 HB3 SER A 88 6.025 16.500 2.943 1.00 0.00 H new ATOM 0 HG SER A 88 3.877 17.689 4.431 1.00 0.00 H new ATOM 1332 N PHE A 89 5.338 14.299 1.166 1.00 0.00 N ATOM 1333 CA PHE A 89 5.842 13.010 0.706 1.00 0.00 C ATOM 1334 C PHE A 89 6.731 12.365 1.765 1.00 0.00 C ATOM 1335 O PHE A 89 7.911 12.694 1.885 1.00 0.00 O ATOM 1336 CB PHE A 89 6.623 13.180 -0.598 1.00 0.00 C ATOM 1337 CG PHE A 89 6.708 11.922 -1.414 1.00 0.00 C ATOM 1338 CD1 PHE A 89 7.711 10.996 -1.182 1.00 0.00 C ATOM 1339 CD2 PHE A 89 5.784 11.667 -2.415 1.00 0.00 C ATOM 1340 CE1 PHE A 89 7.792 9.837 -1.931 1.00 0.00 C ATOM 1341 CE2 PHE A 89 5.860 10.510 -3.167 1.00 0.00 C ATOM 1342 CZ PHE A 89 6.865 9.595 -2.926 1.00 0.00 C ATOM 0 H PHE A 89 5.708 15.102 0.657 1.00 0.00 H new ATOM 0 HA PHE A 89 4.988 12.357 0.527 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.151 13.960 -1.196 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.632 13.522 -0.366 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.439 11.182 -0.406 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.996 12.380 -2.609 1.00 0.00 H new ATOM 0 HE1 PHE A 89 8.578 9.122 -1.739 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.133 10.322 -3.943 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.926 8.691 -3.514 1.00 0.00 H new ATOM 1352 N VAL A 90 6.156 11.443 2.531 1.00 0.00 N ATOM 1353 CA VAL A 90 6.895 10.751 3.580 1.00 0.00 C ATOM 1354 C VAL A 90 7.725 9.608 3.004 1.00 0.00 C ATOM 1355 O VAL A 90 7.272 8.850 2.147 1.00 0.00 O ATOM 1356 CB VAL A 90 5.948 10.191 4.658 1.00 0.00 C ATOM 1357 CG1 VAL A 90 6.735 9.439 5.721 1.00 0.00 C ATOM 1358 CG2 VAL A 90 5.130 11.311 5.282 1.00 0.00 C ATOM 0 H VAL A 90 5.180 11.158 2.444 1.00 0.00 H new ATOM 0 HA VAL A 90 7.559 11.485 4.037 1.00 0.00 H new ATOM 0 HB VAL A 90 5.260 9.490 4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.050 9.050 6.474 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.273 8.611 5.258 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.447 10.116 6.193 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.466 10.897 6.041 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.800 12.038 5.742 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.537 11.802 4.510 1.00 0.00 H new ATOM 1368 N PRO A 91 8.970 9.480 3.486 1.00 0.00 N ATOM 1369 CA PRO A 91 9.889 8.431 3.035 1.00 0.00 C ATOM 1370 C PRO A 91 9.461 7.044 3.501 1.00 0.00 C ATOM 1371 O PRO A 91 8.514 6.905 4.276 1.00 0.00 O ATOM 1372 CB PRO A 91 11.220 8.825 3.680 1.00 0.00 C ATOM 1373 CG PRO A 91 10.839 9.621 4.880 1.00 0.00 C ATOM 1374 CD PRO A 91 9.576 10.348 4.510 1.00 0.00 C ATOM 0 HA PRO A 91 9.929 8.365 1.948 1.00 0.00 H new ATOM 0 HB2 PRO A 91 11.801 7.946 3.957 1.00 0.00 H new ATOM 0 HB3 PRO A 91 11.834 9.410 2.995 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.679 8.974 5.743 1.00 0.00 H new ATOM 0 HG3 PRO A 91 11.628 10.322 5.150 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.918 10.474 5.370 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.785 11.344 4.120 1.00 0.00 H new ATOM 1382 N TRP A 92 10.163 6.022 3.026 1.00 0.00 N ATOM 1383 CA TRP A 92 9.854 4.646 3.395 1.00 0.00 C ATOM 1384 C TRP A 92 10.649 4.221 4.625 1.00 0.00 C ATOM 1385 O TRP A 92 11.842 4.503 4.730 1.00 0.00 O ATOM 1386 CB TRP A 92 10.154 3.703 2.228 1.00 0.00 C ATOM 1387 CG TRP A 92 9.059 3.657 1.205 1.00 0.00 C ATOM 1388 CD1 TRP A 92 7.953 4.457 1.152 1.00 0.00 C ATOM 1389 CD2 TRP A 92 8.965 2.765 0.090 1.00 0.00 C ATOM 1390 NE1 TRP A 92 7.177 4.114 0.071 1.00 0.00 N ATOM 1391 CE2 TRP A 92 7.777 3.080 -0.597 1.00 0.00 C ATOM 1392 CE3 TRP A 92 9.770 1.731 -0.396 1.00 0.00 C ATOM 1393 CZ2 TRP A 92 7.376 2.397 -1.742 1.00 0.00 C ATOM 1394 CZ3 TRP A 92 9.371 1.054 -1.533 1.00 0.00 C ATOM 1395 CH2 TRP A 92 8.183 1.389 -2.196 1.00 0.00 C ATOM 0 H TRP A 92 10.950 6.120 2.385 1.00 0.00 H new ATOM 0 HA TRP A 92 8.792 4.590 3.634 1.00 0.00 H new ATOM 0 HB2 TRP A 92 11.080 4.017 1.745 1.00 0.00 H new ATOM 0 HB3 TRP A 92 10.322 2.698 2.616 1.00 0.00 H new ATOM 0 HD1 TRP A 92 7.722 5.243 1.856 1.00 0.00 H new ATOM 0 HE1 TRP A 92 6.297 4.558 -0.191 1.00 0.00 H new ATOM 0 HE3 TRP A 92 10.688 1.466 0.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 6.460 2.654 -2.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 9.985 0.253 -1.917 1.00 0.00 H new ATOM 0 HH2 TRP A 92 7.899 0.841 -3.082 1.00 0.00 H new ATOM 1406 N GLN A 93 9.981 3.541 5.551 1.00 0.00 N ATOM 1407 CA GLN A 93 10.627 3.078 6.773 1.00 0.00 C ATOM 1408 C GLN A 93 10.567 1.558 6.878 1.00 0.00 C ATOM 1409 O GLN A 93 9.717 0.902 6.276 1.00 0.00 O ATOM 1410 CB GLN A 93 9.963 3.712 7.997 1.00 0.00 C ATOM 1411 CG GLN A 93 10.420 5.136 8.268 1.00 0.00 C ATOM 1412 CD GLN A 93 10.194 6.057 7.085 1.00 0.00 C ATOM 1413 OE1 GLN A 93 9.065 6.459 6.804 1.00 0.00 O ATOM 1414 NE2 GLN A 93 11.270 6.395 6.384 1.00 0.00 N ATOM 0 H GLN A 93 8.993 3.299 5.478 1.00 0.00 H new ATOM 0 HA GLN A 93 11.674 3.380 6.738 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.882 3.707 7.857 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.174 3.099 8.873 1.00 0.00 H new ATOM 0 HG2 GLN A 93 9.886 5.526 9.134 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.480 5.131 8.522 1.00 0.00 H new ATOM 0 HE21 GLN A 93 12.187 6.038 6.653 1.00 0.00 H new ATOM 0 HE22 GLN A 93 11.180 7.012 5.576 1.00 0.00 H new ATOM 1423 N PRO A 94 11.492 0.982 7.661 1.00 0.00 N ATOM 1424 CA PRO A 94 11.566 -0.468 7.863 1.00 0.00 C ATOM 1425 C PRO A 94 10.397 -0.999 8.686 1.00 0.00 C ATOM 1426 O PRO A 94 10.203 -2.209 8.798 1.00 0.00 O ATOM 1427 CB PRO A 94 12.882 -0.654 8.622 1.00 0.00 C ATOM 1428 CG PRO A 94 13.107 0.646 9.314 1.00 0.00 C ATOM 1429 CD PRO A 94 12.537 1.702 8.408 1.00 0.00 C ATOM 0 HA PRO A 94 11.521 -1.013 6.920 1.00 0.00 H new ATOM 0 HB2 PRO A 94 12.815 -1.476 9.335 1.00 0.00 H new ATOM 0 HB3 PRO A 94 13.701 -0.888 7.942 1.00 0.00 H new ATOM 0 HG2 PRO A 94 12.616 0.660 10.287 1.00 0.00 H new ATOM 0 HG3 PRO A 94 14.169 0.815 9.491 1.00 0.00 H new ATOM 0 HD2 PRO A 94 12.124 2.537 8.974 1.00 0.00 H new ATOM 0 HD3 PRO A 94 13.296 2.113 7.742 1.00 0.00 H new ATOM 1437 N ARG A 95 9.621 -0.085 9.261 1.00 0.00 N ATOM 1438 CA ARG A 95 8.472 -0.462 10.074 1.00 0.00 C ATOM 1439 C ARG A 95 7.189 -0.437 9.248 1.00 0.00 C ATOM 1440 O ARG A 95 6.195 -1.069 9.607 1.00 0.00 O ATOM 1441 CB ARG A 95 8.338 0.479 11.273 1.00 0.00 C ATOM 1442 CG ARG A 95 8.008 1.912 10.888 1.00 0.00 C ATOM 1443 CD ARG A 95 7.596 2.734 12.100 1.00 0.00 C ATOM 1444 NE ARG A 95 8.736 3.060 12.953 1.00 0.00 N ATOM 1445 CZ ARG A 95 9.610 4.020 12.675 1.00 0.00 C ATOM 1446 NH1 ARG A 95 9.476 4.745 11.573 1.00 0.00 N ATOM 1447 NH2 ARG A 95 10.621 4.258 13.501 1.00 0.00 N ATOM 0 H ARG A 95 9.768 0.921 9.178 1.00 0.00 H new ATOM 0 HA ARG A 95 8.632 -1.478 10.434 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.559 0.101 11.936 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.270 0.469 11.838 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.875 2.371 10.413 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.203 1.916 10.153 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.117 3.655 11.768 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.856 2.181 12.679 1.00 0.00 H new ATOM 0 HE ARG A 95 8.868 2.521 13.809 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.700 4.566 10.936 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.149 5.482 11.362 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.727 3.703 14.350 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.292 4.996 13.287 1.00 0.00 H new ATOM 1461 N PHE A 96 7.219 0.298 8.142 1.00 0.00 N ATOM 1462 CA PHE A 96 6.058 0.407 7.265 1.00 0.00 C ATOM 1463 C PHE A 96 6.061 -0.703 6.218 1.00 0.00 C ATOM 1464 O PHE A 96 5.033 -1.327 5.958 1.00 0.00 O ATOM 1465 CB PHE A 96 6.039 1.774 6.576 1.00 0.00 C ATOM 1466 CG PHE A 96 5.864 2.922 7.528 1.00 0.00 C ATOM 1467 CD1 PHE A 96 4.953 2.844 8.569 1.00 0.00 C ATOM 1468 CD2 PHE A 96 6.610 4.081 7.381 1.00 0.00 C ATOM 1469 CE1 PHE A 96 4.789 3.900 9.446 1.00 0.00 C ATOM 1470 CE2 PHE A 96 6.451 5.139 8.256 1.00 0.00 C ATOM 1471 CZ PHE A 96 5.539 5.049 9.289 1.00 0.00 C ATOM 0 H PHE A 96 8.034 0.827 7.831 1.00 0.00 H new ATOM 0 HA PHE A 96 5.161 0.303 7.876 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.970 1.908 6.025 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.231 1.792 5.845 1.00 0.00 H new ATOM 0 HD1 PHE A 96 4.364 1.948 8.697 1.00 0.00 H new ATOM 0 HD2 PHE A 96 7.323 4.158 6.574 1.00 0.00 H new ATOM 0 HE1 PHE A 96 4.075 3.827 10.253 1.00 0.00 H new ATOM 0 HE2 PHE A 96 7.040 6.036 8.132 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.413 5.875 9.973 1.00 0.00 H new ATOM 1481 N MET A 97 7.224 -0.942 5.621 1.00 0.00 N ATOM 1482 CA MET A 97 7.361 -1.977 4.603 1.00 0.00 C ATOM 1483 C MET A 97 7.166 -3.364 5.208 1.00 0.00 C ATOM 1484 O MET A 97 7.526 -3.604 6.360 1.00 0.00 O ATOM 1485 CB MET A 97 8.735 -1.887 3.936 1.00 0.00 C ATOM 1486 CG MET A 97 9.039 -0.516 3.354 1.00 0.00 C ATOM 1487 SD MET A 97 8.060 -0.153 1.884 1.00 0.00 S ATOM 1488 CE MET A 97 8.763 -1.311 0.713 1.00 0.00 C ATOM 0 H MET A 97 8.084 -0.433 5.824 1.00 0.00 H new ATOM 0 HA MET A 97 6.589 -1.817 3.851 1.00 0.00 H new ATOM 0 HB2 MET A 97 9.502 -2.140 4.668 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.794 -2.631 3.142 1.00 0.00 H new ATOM 0 HG2 MET A 97 8.848 0.246 4.110 1.00 0.00 H new ATOM 0 HG3 MET A 97 10.098 -0.459 3.104 1.00 0.00 H new ATOM 0 HE1 MET A 97 8.362 -1.112 -0.281 1.00 0.00 H new ATOM 0 HE2 MET A 97 9.847 -1.198 0.696 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.508 -2.328 1.010 1.00 0.00 H new ATOM 1498 N ILE A 98 6.594 -4.271 4.423 1.00 0.00 N ATOM 1499 CA ILE A 98 6.353 -5.633 4.882 1.00 0.00 C ATOM 1500 C ILE A 98 7.154 -6.639 4.063 1.00 0.00 C ATOM 1501 O ILE A 98 7.694 -7.606 4.602 1.00 0.00 O ATOM 1502 CB ILE A 98 4.859 -5.997 4.803 1.00 0.00 C ATOM 1503 CG1 ILE A 98 4.039 -5.084 5.717 1.00 0.00 C ATOM 1504 CG2 ILE A 98 4.649 -7.457 5.177 1.00 0.00 C ATOM 1505 CD1 ILE A 98 2.555 -5.112 5.426 1.00 0.00 C ATOM 0 H ILE A 98 6.289 -4.087 3.467 1.00 0.00 H new ATOM 0 HA ILE A 98 6.675 -5.677 5.922 1.00 0.00 H new ATOM 0 HB ILE A 98 4.519 -5.852 3.778 1.00 0.00 H new ATOM 0 HG12 ILE A 98 4.203 -5.379 6.753 1.00 0.00 H new ATOM 0 HG13 ILE A 98 4.402 -4.061 5.615 1.00 0.00 H new ATOM 0 HG21 ILE A 98 3.588 -7.699 5.116 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.206 -8.093 4.489 1.00 0.00 H new ATOM 0 HG23 ILE A 98 5.002 -7.626 6.194 1.00 0.00 H new ATOM 0 HD11 ILE A 98 2.037 -4.442 6.112 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.379 -4.788 4.400 1.00 0.00 H new ATOM 0 HD13 ILE A 98 2.178 -6.126 5.556 1.00 0.00 H new ATOM 1517 N HIS A 99 7.229 -6.405 2.757 1.00 0.00 N ATOM 1518 CA HIS A 99 7.967 -7.290 1.862 1.00 0.00 C ATOM 1519 C HIS A 99 8.634 -6.497 0.742 1.00 0.00 C ATOM 1520 O HIS A 99 8.002 -5.656 0.103 1.00 0.00 O ATOM 1521 CB HIS A 99 7.034 -8.345 1.270 1.00 0.00 C ATOM 1522 CG HIS A 99 7.702 -9.247 0.278 1.00 0.00 C ATOM 1523 ND1 HIS A 99 8.269 -10.456 0.623 1.00 0.00 N ATOM 1524 CD2 HIS A 99 7.890 -9.112 -1.055 1.00 0.00 C ATOM 1525 CE1 HIS A 99 8.779 -11.024 -0.455 1.00 0.00 C ATOM 1526 NE2 HIS A 99 8.562 -10.229 -1.487 1.00 0.00 N ATOM 0 H HIS A 99 6.788 -5.610 2.294 1.00 0.00 H new ATOM 0 HA HIS A 99 8.743 -7.788 2.443 1.00 0.00 H new ATOM 0 HB2 HIS A 99 6.623 -8.949 2.079 1.00 0.00 H new ATOM 0 HB3 HIS A 99 6.194 -7.845 0.787 1.00 0.00 H new ATOM 0 HD2 HIS A 99 7.571 -8.280 -1.666 1.00 0.00 H new ATOM 0 HE1 HIS A 99 9.287 -11.977 -0.487 1.00 0.00 H new ATOM 0 HE2 HIS A 99 8.847 -10.414 -2.449 1.00 0.00 H new