USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 480 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 70 GLN : amide:sc= -0.3 K(o=-1.6,f=-0.095) USER MOD Set 1.2: A 74 GLN : amide:sc= -1.28 K(o=-1.6,f=-0.095) USER MOD Single : A 17 MET CE :methyl -138:sc= -1.31 (180deg=-2.74!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 124:sc= -4.3! USER MOD Single : A 29 THR OG1 : rot 154:sc= 0.906 USER MOD Single : A 31 GLN : amide:sc= -2.93 K(o=-2.9,f=-1.1) USER MOD Single : A 39 TYR OH : rot 100:sc= -1.58! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.311 K(o=-0.31,f=-1.7!) USER MOD Single : A 72 MET CE :methyl -109:sc= -0.715 (180deg=-4.6!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -1.57 K(o=-1.6,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 107 N ASP A 11 -3.468 14.007 9.154 1.00 0.00 N ATOM 108 CA ASP A 11 -2.661 13.569 8.027 1.00 0.00 C ATOM 109 C ASP A 11 -1.751 14.714 7.581 1.00 0.00 C ATOM 110 O ASP A 11 -2.059 15.883 7.812 1.00 0.00 O ATOM 111 CB ASP A 11 -3.542 13.174 6.839 1.00 0.00 C ATOM 112 CG ASP A 11 -4.831 12.436 7.207 1.00 0.00 C ATOM 113 OD1 ASP A 11 -4.729 11.480 8.006 1.00 0.00 O ATOM 114 OD2 ASP A 11 -5.889 12.843 6.680 1.00 0.00 O ATOM 0 HA ASP A 11 -2.077 12.705 8.346 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.803 14.075 6.284 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.959 12.544 6.168 1.00 0.00 H new ATOM 119 N ASP A 12 -0.648 14.339 6.949 1.00 0.00 N ATOM 120 CA ASP A 12 0.310 15.321 6.469 1.00 0.00 C ATOM 121 C ASP A 12 0.223 15.407 4.943 1.00 0.00 C ATOM 122 O ASP A 12 -0.728 14.910 4.343 1.00 0.00 O ATOM 123 CB ASP A 12 1.740 14.923 6.840 1.00 0.00 C ATOM 124 CG ASP A 12 2.586 16.044 7.445 1.00 0.00 C ATOM 125 OD1 ASP A 12 2.555 17.154 6.869 1.00 0.00 O ATOM 126 OD2 ASP A 12 3.246 15.767 8.471 1.00 0.00 O ATOM 0 H ASP A 12 -0.397 13.369 6.758 1.00 0.00 H new ATOM 0 HA ASP A 12 0.072 16.279 6.931 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.699 14.096 7.549 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.241 14.552 5.946 1.00 0.00 H new ATOM 131 N GLU A 13 1.230 16.042 4.361 1.00 0.00 N ATOM 132 CA GLU A 13 1.280 16.199 2.917 1.00 0.00 C ATOM 133 C GLU A 13 1.861 14.942 2.266 1.00 0.00 C ATOM 134 O GLU A 13 1.678 14.717 1.070 1.00 0.00 O ATOM 135 CB GLU A 13 2.085 17.441 2.529 1.00 0.00 C ATOM 136 CG GLU A 13 1.343 18.720 2.923 1.00 0.00 C ATOM 137 CD GLU A 13 2.326 19.860 3.198 1.00 0.00 C ATOM 138 OE1 GLU A 13 3.340 19.585 3.876 1.00 0.00 O ATOM 139 OE2 GLU A 13 2.041 20.981 2.725 1.00 0.00 O ATOM 0 H GLU A 13 2.017 16.453 4.863 1.00 0.00 H new ATOM 0 HA GLU A 13 0.263 16.336 2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.058 17.415 3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.268 17.439 1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.659 19.009 2.125 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.737 18.535 3.810 1.00 0.00 H new ATOM 146 N VAL A 14 2.550 14.157 3.081 1.00 0.00 N ATOM 147 CA VAL A 14 3.161 12.929 2.599 1.00 0.00 C ATOM 148 C VAL A 14 2.125 11.804 2.633 1.00 0.00 C ATOM 149 O VAL A 14 2.126 10.928 1.769 1.00 0.00 O ATOM 150 CB VAL A 14 4.416 12.613 3.415 1.00 0.00 C ATOM 151 CG1 VAL A 14 4.049 12.063 4.795 1.00 0.00 C ATOM 152 CG2 VAL A 14 5.328 11.644 2.662 1.00 0.00 C ATOM 0 H VAL A 14 2.699 14.347 4.072 1.00 0.00 H new ATOM 0 HA VAL A 14 3.484 13.042 1.564 1.00 0.00 H new ATOM 0 HB VAL A 14 4.964 13.543 3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.959 11.847 5.354 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.458 12.802 5.336 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.468 11.148 4.679 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.213 11.435 3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.792 10.714 2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.630 12.090 1.715 1.00 0.00 H new ATOM 162 N VAL A 15 1.268 11.862 3.641 1.00 0.00 N ATOM 163 CA VAL A 15 0.230 10.858 3.800 1.00 0.00 C ATOM 164 C VAL A 15 -0.823 11.042 2.705 1.00 0.00 C ATOM 165 O VAL A 15 -1.205 10.080 2.039 1.00 0.00 O ATOM 166 CB VAL A 15 -0.357 10.930 5.212 1.00 0.00 C ATOM 167 CG1 VAL A 15 -1.606 10.055 5.331 1.00 0.00 C ATOM 168 CG2 VAL A 15 0.687 10.543 6.261 1.00 0.00 C ATOM 0 H VAL A 15 1.271 12.589 4.356 1.00 0.00 H new ATOM 0 HA VAL A 15 0.646 9.857 3.686 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.652 11.962 5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.003 10.124 6.344 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.359 10.398 4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.347 9.019 5.113 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.244 10.603 7.255 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.028 9.524 6.076 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.534 11.226 6.200 1.00 0.00 H new ATOM 178 N ALA A 16 -1.262 12.282 2.553 1.00 0.00 N ATOM 179 CA ALA A 16 -2.263 12.604 1.550 1.00 0.00 C ATOM 180 C ALA A 16 -1.729 12.233 0.165 1.00 0.00 C ATOM 181 O ALA A 16 -2.497 11.873 -0.725 1.00 0.00 O ATOM 182 CB ALA A 16 -2.634 14.084 1.655 1.00 0.00 C ATOM 0 H ALA A 16 -0.943 13.076 3.108 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.173 12.028 1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.385 14.325 0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.036 14.289 2.647 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.746 14.694 1.490 1.00 0.00 H new ATOM 188 N MET A 17 -0.415 12.334 0.027 1.00 0.00 N ATOM 189 CA MET A 17 0.231 12.013 -1.235 1.00 0.00 C ATOM 190 C MET A 17 0.069 10.530 -1.574 1.00 0.00 C ATOM 191 O MET A 17 -0.566 10.183 -2.568 1.00 0.00 O ATOM 192 CB MET A 17 1.720 12.357 -1.148 1.00 0.00 C ATOM 193 CG MET A 17 2.195 13.063 -2.419 1.00 0.00 C ATOM 194 SD MET A 17 3.965 13.289 -2.367 1.00 0.00 S ATOM 195 CE MET A 17 4.096 14.384 -0.965 1.00 0.00 C ATOM 0 H MET A 17 0.220 12.633 0.767 1.00 0.00 H new ATOM 0 HA MET A 17 -0.242 12.600 -2.023 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.899 12.997 -0.284 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.299 11.446 -0.996 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.921 12.476 -3.295 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.699 14.029 -2.515 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.825 15.166 -1.181 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.125 14.838 -0.766 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.418 13.819 -0.091 1.00 0.00 H new ATOM 205 N ILE A 18 0.654 9.696 -0.726 1.00 0.00 N ATOM 206 CA ILE A 18 0.582 8.257 -0.923 1.00 0.00 C ATOM 207 C ILE A 18 -0.867 7.858 -1.214 1.00 0.00 C ATOM 208 O ILE A 18 -1.143 7.200 -2.216 1.00 0.00 O ATOM 209 CB ILE A 18 1.194 7.522 0.271 1.00 0.00 C ATOM 210 CG1 ILE A 18 2.696 7.796 0.371 1.00 0.00 C ATOM 211 CG2 ILE A 18 0.887 6.025 0.208 1.00 0.00 C ATOM 212 CD1 ILE A 18 3.096 8.140 1.807 1.00 0.00 C ATOM 0 H ILE A 18 1.179 9.988 0.098 1.00 0.00 H new ATOM 0 HA ILE A 18 1.175 7.961 -1.789 1.00 0.00 H new ATOM 0 HB ILE A 18 0.735 7.907 1.182 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.252 6.921 0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.964 8.619 -0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.333 5.526 1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.192 5.874 0.220 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.301 5.607 -0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.168 8.330 1.850 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.556 9.030 2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.849 7.306 2.463 1.00 0.00 H new ATOM 224 N LYS A 19 -1.752 8.276 -0.322 1.00 0.00 N ATOM 225 CA LYS A 19 -3.165 7.970 -0.470 1.00 0.00 C ATOM 226 C LYS A 19 -3.568 8.143 -1.936 1.00 0.00 C ATOM 227 O LYS A 19 -4.167 7.246 -2.529 1.00 0.00 O ATOM 228 CB LYS A 19 -4.000 8.809 0.500 1.00 0.00 C ATOM 229 CG LYS A 19 -4.383 7.996 1.738 1.00 0.00 C ATOM 230 CD LYS A 19 -5.317 8.793 2.651 1.00 0.00 C ATOM 231 CE LYS A 19 -5.233 8.292 4.094 1.00 0.00 C ATOM 232 NZ LYS A 19 -6.136 9.073 4.968 1.00 0.00 N ATOM 0 H LYS A 19 -1.519 8.824 0.506 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.360 6.931 -0.205 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.436 9.692 0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.901 9.161 -0.001 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.870 7.070 1.433 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.483 7.717 2.287 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.053 9.850 2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.343 8.707 2.292 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.501 7.236 4.135 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.208 8.374 4.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.066 8.720 5.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.862 10.076 4.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.115 8.973 4.633 1.00 0.00 H new ATOM 246 N GLU A 20 -3.225 9.302 -2.479 1.00 0.00 N ATOM 247 CA GLU A 20 -3.543 9.604 -3.863 1.00 0.00 C ATOM 248 C GLU A 20 -2.960 8.533 -4.787 1.00 0.00 C ATOM 249 O GLU A 20 -3.658 8.010 -5.655 1.00 0.00 O ATOM 250 CB GLU A 20 -3.040 10.996 -4.251 1.00 0.00 C ATOM 251 CG GLU A 20 -4.085 11.745 -5.081 1.00 0.00 C ATOM 252 CD GLU A 20 -3.526 12.122 -6.454 1.00 0.00 C ATOM 253 OE1 GLU A 20 -2.390 12.645 -6.481 1.00 0.00 O ATOM 254 OE2 GLU A 20 -4.245 11.880 -7.447 1.00 0.00 O ATOM 0 H GLU A 20 -2.729 10.044 -1.984 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.627 9.602 -3.975 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.808 11.566 -3.352 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.114 10.907 -4.820 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.972 11.123 -5.204 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.398 12.645 -4.552 1.00 0.00 H new ATOM 261 N LEU A 21 -1.688 8.237 -4.570 1.00 0.00 N ATOM 262 CA LEU A 21 -1.004 7.238 -5.372 1.00 0.00 C ATOM 263 C LEU A 21 -1.759 5.911 -5.279 1.00 0.00 C ATOM 264 O LEU A 21 -1.658 5.071 -6.173 1.00 0.00 O ATOM 265 CB LEU A 21 0.467 7.137 -4.963 1.00 0.00 C ATOM 266 CG LEU A 21 1.489 7.310 -6.088 1.00 0.00 C ATOM 267 CD1 LEU A 21 2.917 7.151 -5.561 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.197 6.354 -7.246 1.00 0.00 C ATOM 0 H LEU A 21 -1.112 8.672 -3.849 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.000 7.531 -6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.664 7.891 -4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.629 6.164 -4.499 1.00 0.00 H new ATOM 0 HG LEU A 21 1.400 8.324 -6.477 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.624 7.279 -6.381 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.109 7.904 -4.796 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.037 6.157 -5.130 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.938 6.498 -8.032 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.242 5.325 -6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.203 6.557 -7.643 1.00 0.00 H new ATOM 280 N LEU A 22 -2.500 5.763 -4.191 1.00 0.00 N ATOM 281 CA LEU A 22 -3.273 4.552 -3.970 1.00 0.00 C ATOM 282 C LEU A 22 -4.662 4.719 -4.589 1.00 0.00 C ATOM 283 O LEU A 22 -5.125 3.852 -5.328 1.00 0.00 O ATOM 284 CB LEU A 22 -3.300 4.198 -2.482 1.00 0.00 C ATOM 285 CG LEU A 22 -2.039 3.533 -1.927 1.00 0.00 C ATOM 286 CD1 LEU A 22 -2.180 2.010 -1.920 1.00 0.00 C ATOM 287 CD2 LEU A 22 -0.796 3.991 -2.693 1.00 0.00 C ATOM 0 H LEU A 22 -2.582 6.462 -3.452 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.803 3.703 -4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.485 5.111 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.146 3.534 -2.302 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.913 3.849 -0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.270 1.562 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.028 1.726 -1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.343 1.655 -2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.087 3.504 -2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.898 3.724 -3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.690 5.072 -2.602 1.00 0.00 H new ATOM 299 N ASP A 23 -5.288 5.840 -4.263 1.00 0.00 N ATOM 300 CA ASP A 23 -6.616 6.132 -4.777 1.00 0.00 C ATOM 301 C ASP A 23 -6.553 6.250 -6.302 1.00 0.00 C ATOM 302 O ASP A 23 -7.487 5.854 -6.998 1.00 0.00 O ATOM 303 CB ASP A 23 -7.142 7.458 -4.223 1.00 0.00 C ATOM 304 CG ASP A 23 -8.180 7.324 -3.107 1.00 0.00 C ATOM 305 OD1 ASP A 23 -9.270 6.789 -3.406 1.00 0.00 O ATOM 306 OD2 ASP A 23 -7.861 7.761 -1.981 1.00 0.00 O ATOM 0 H ASP A 23 -4.901 6.557 -3.650 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.281 5.324 -4.472 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.299 8.038 -3.847 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.582 8.028 -5.041 1.00 0.00 H new ATOM 311 N THR A 24 -5.443 6.795 -6.776 1.00 0.00 N ATOM 312 CA THR A 24 -5.246 6.969 -8.205 1.00 0.00 C ATOM 313 C THR A 24 -5.746 5.740 -8.967 1.00 0.00 C ATOM 314 O THR A 24 -6.912 5.678 -9.356 1.00 0.00 O ATOM 315 CB THR A 24 -3.765 7.271 -8.446 1.00 0.00 C ATOM 316 OG1 THR A 24 -3.090 6.515 -7.444 1.00 0.00 O ATOM 317 CG2 THR A 24 -3.404 8.722 -8.125 1.00 0.00 C ATOM 0 H THR A 24 -4.670 7.122 -6.196 1.00 0.00 H new ATOM 0 HA THR A 24 -5.830 7.808 -8.584 1.00 0.00 H new ATOM 0 HB THR A 24 -3.515 7.056 -9.485 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.439 5.917 -7.868 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.342 8.883 -8.313 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.990 9.391 -8.756 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.622 8.928 -7.077 1.00 0.00 H new ATOM 325 N ARG A 25 -4.842 4.791 -9.156 1.00 0.00 N ATOM 326 CA ARG A 25 -5.176 3.567 -9.863 1.00 0.00 C ATOM 327 C ARG A 25 -4.279 2.420 -9.394 1.00 0.00 C ATOM 328 O ARG A 25 -3.734 1.679 -10.211 1.00 0.00 O ATOM 329 CB ARG A 25 -5.018 3.743 -11.375 1.00 0.00 C ATOM 330 CG ARG A 25 -3.653 4.345 -11.717 1.00 0.00 C ATOM 331 CD ARG A 25 -3.671 4.992 -13.103 1.00 0.00 C ATOM 332 NE ARG A 25 -3.528 3.954 -14.148 1.00 0.00 N ATOM 333 CZ ARG A 25 -3.634 4.192 -15.463 1.00 0.00 C ATOM 334 NH1 ARG A 25 -3.884 5.432 -15.901 1.00 0.00 N ATOM 335 NH2 ARG A 25 -3.489 3.187 -16.339 1.00 0.00 N ATOM 0 H ARG A 25 -3.877 4.845 -8.831 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.217 3.332 -9.643 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.129 2.779 -11.871 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.810 4.389 -11.754 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.382 5.089 -10.968 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.890 3.567 -11.685 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.603 5.538 -13.246 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.861 5.717 -13.186 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.337 2.998 -13.849 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.994 6.196 -15.234 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.965 5.613 -16.902 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.298 2.242 -16.005 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.570 3.367 -17.340 1.00 0.00 H new ATOM 349 N ILE A 26 -4.153 2.309 -8.080 1.00 0.00 N ATOM 350 CA ILE A 26 -3.331 1.265 -7.492 1.00 0.00 C ATOM 351 C ILE A 26 -4.187 0.421 -6.546 1.00 0.00 C ATOM 352 O ILE A 26 -4.174 -0.807 -6.619 1.00 0.00 O ATOM 353 CB ILE A 26 -2.093 1.869 -6.828 1.00 0.00 C ATOM 354 CG1 ILE A 26 -1.234 2.617 -7.848 1.00 0.00 C ATOM 355 CG2 ILE A 26 -1.294 0.797 -6.083 1.00 0.00 C ATOM 356 CD1 ILE A 26 0.014 3.207 -7.188 1.00 0.00 C ATOM 0 H ILE A 26 -4.607 2.925 -7.405 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.954 0.595 -8.265 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.423 2.598 -6.088 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.940 1.938 -8.648 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.819 3.415 -8.306 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.419 1.252 -5.620 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.920 0.347 -5.312 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.974 0.028 -6.786 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.607 3.733 -7.936 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.284 3.904 -6.405 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.609 2.404 -6.752 1.00 0.00 H new ATOM 368 N ARG A 27 -4.911 1.113 -5.678 1.00 0.00 N ATOM 369 CA ARG A 27 -5.772 0.442 -4.718 1.00 0.00 C ATOM 370 C ARG A 27 -6.966 -0.195 -5.430 1.00 0.00 C ATOM 371 O ARG A 27 -7.280 -1.362 -5.202 1.00 0.00 O ATOM 372 CB ARG A 27 -6.280 1.420 -3.657 1.00 0.00 C ATOM 373 CG ARG A 27 -7.744 1.138 -3.309 1.00 0.00 C ATOM 374 CD ARG A 27 -8.231 2.068 -2.196 1.00 0.00 C ATOM 375 NE ARG A 27 -8.827 1.274 -1.098 1.00 0.00 N ATOM 376 CZ ARG A 27 -9.564 1.796 -0.107 1.00 0.00 C ATOM 377 NH1 ARG A 27 -9.799 3.114 -0.071 1.00 0.00 N ATOM 378 NH2 ARG A 27 -10.064 0.999 0.846 1.00 0.00 N ATOM 0 H ARG A 27 -4.919 2.131 -5.619 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.182 -0.333 -4.228 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.667 1.340 -2.759 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.179 2.442 -4.021 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.364 1.270 -4.196 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.854 0.100 -2.995 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.399 2.662 -1.817 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.968 2.767 -2.591 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.667 0.267 -1.095 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.417 3.720 -0.797 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.360 3.512 0.683 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.884 -0.005 0.818 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.625 1.396 1.600 1.00 0.00 H new ATOM 392 N PRO A 28 -7.618 0.622 -6.302 1.00 0.00 N ATOM 393 CA PRO A 28 -8.772 0.151 -7.049 1.00 0.00 C ATOM 394 C PRO A 28 -8.346 -0.781 -8.186 1.00 0.00 C ATOM 395 O PRO A 28 -9.188 -1.299 -8.917 1.00 0.00 O ATOM 396 CB PRO A 28 -9.463 1.411 -7.541 1.00 0.00 C ATOM 397 CG PRO A 28 -8.426 2.518 -7.450 1.00 0.00 C ATOM 398 CD PRO A 28 -7.275 2.009 -6.598 1.00 0.00 C ATOM 0 HA PRO A 28 -9.451 -0.448 -6.442 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.815 1.289 -8.565 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.335 1.642 -6.930 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.073 2.793 -8.444 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.862 3.414 -7.007 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.327 2.077 -7.132 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.169 2.594 -5.685 1.00 0.00 H new ATOM 406 N THR A 29 -7.038 -0.966 -8.298 1.00 0.00 N ATOM 407 CA THR A 29 -6.491 -1.826 -9.334 1.00 0.00 C ATOM 408 C THR A 29 -6.254 -3.234 -8.786 1.00 0.00 C ATOM 409 O THR A 29 -6.877 -4.193 -9.240 1.00 0.00 O ATOM 410 CB THR A 29 -5.222 -1.164 -9.875 1.00 0.00 C ATOM 411 OG1 THR A 29 -5.707 -0.156 -10.759 1.00 0.00 O ATOM 412 CG2 THR A 29 -4.416 -2.096 -10.782 1.00 0.00 C ATOM 0 H THR A 29 -6.342 -0.535 -7.689 1.00 0.00 H new ATOM 0 HA THR A 29 -7.191 -1.946 -10.161 1.00 0.00 H new ATOM 0 HB THR A 29 -4.599 -0.839 -9.042 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.048 0.566 -10.825 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.526 -1.577 -11.138 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.119 -2.982 -10.221 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.028 -2.394 -11.633 1.00 0.00 H new ATOM 420 N VAL A 30 -5.353 -3.315 -7.818 1.00 0.00 N ATOM 421 CA VAL A 30 -5.026 -4.591 -7.205 1.00 0.00 C ATOM 422 C VAL A 30 -6.314 -5.382 -6.967 1.00 0.00 C ATOM 423 O VAL A 30 -6.352 -6.593 -7.186 1.00 0.00 O ATOM 424 CB VAL A 30 -4.218 -4.365 -5.924 1.00 0.00 C ATOM 425 CG1 VAL A 30 -2.895 -3.660 -6.229 1.00 0.00 C ATOM 426 CG2 VAL A 30 -5.033 -3.580 -4.894 1.00 0.00 C ATOM 0 H VAL A 30 -4.839 -2.518 -7.443 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.398 -5.184 -7.869 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.987 -5.340 -5.496 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.340 -3.511 -5.303 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.305 -4.272 -6.911 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.096 -2.693 -6.691 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.437 -3.433 -3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.308 -2.611 -5.310 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.936 -4.137 -4.644 1.00 0.00 H new ATOM 436 N GLN A 31 -7.336 -4.667 -6.522 1.00 0.00 N ATOM 437 CA GLN A 31 -8.622 -5.288 -6.253 1.00 0.00 C ATOM 438 C GLN A 31 -9.038 -6.179 -7.425 1.00 0.00 C ATOM 439 O GLN A 31 -9.347 -7.354 -7.237 1.00 0.00 O ATOM 440 CB GLN A 31 -9.690 -4.232 -5.962 1.00 0.00 C ATOM 441 CG GLN A 31 -9.514 -3.645 -4.560 1.00 0.00 C ATOM 442 CD GLN A 31 -10.154 -2.259 -4.460 1.00 0.00 C ATOM 443 OE1 GLN A 31 -11.216 -1.997 -5.002 1.00 0.00 O ATOM 444 NE2 GLN A 31 -9.452 -1.390 -3.741 1.00 0.00 N ATOM 0 H GLN A 31 -7.300 -3.664 -6.341 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.523 -5.912 -5.365 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.630 -3.435 -6.704 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.681 -4.677 -6.052 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.964 -4.311 -3.824 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.453 -3.577 -4.321 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.570 -1.675 -3.315 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.795 -0.438 -3.615 1.00 0.00 H new ATOM 453 N GLU A 32 -9.032 -5.585 -8.609 1.00 0.00 N ATOM 454 CA GLU A 32 -9.404 -6.311 -9.813 1.00 0.00 C ATOM 455 C GLU A 32 -8.538 -7.563 -9.966 1.00 0.00 C ATOM 456 O GLU A 32 -8.892 -8.480 -10.705 1.00 0.00 O ATOM 457 CB GLU A 32 -9.297 -5.415 -11.048 1.00 0.00 C ATOM 458 CG GLU A 32 -10.683 -4.979 -11.531 1.00 0.00 C ATOM 459 CD GLU A 32 -10.708 -4.818 -13.051 1.00 0.00 C ATOM 460 OE1 GLU A 32 -10.438 -5.830 -13.735 1.00 0.00 O ATOM 461 OE2 GLU A 32 -10.996 -3.686 -13.498 1.00 0.00 O ATOM 0 H GLU A 32 -8.776 -4.610 -8.761 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.445 -6.622 -9.720 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.697 -4.536 -10.813 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.781 -5.949 -11.846 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.426 -5.716 -11.228 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.957 -4.036 -11.057 1.00 0.00 H new ATOM 468 N ASP A 33 -7.419 -7.561 -9.256 1.00 0.00 N ATOM 469 CA ASP A 33 -6.500 -8.685 -9.305 1.00 0.00 C ATOM 470 C ASP A 33 -6.531 -9.422 -7.965 1.00 0.00 C ATOM 471 O ASP A 33 -5.522 -9.978 -7.535 1.00 0.00 O ATOM 472 CB ASP A 33 -5.066 -8.214 -9.552 1.00 0.00 C ATOM 473 CG ASP A 33 -4.166 -9.226 -10.264 1.00 0.00 C ATOM 474 OD1 ASP A 33 -4.511 -10.426 -10.215 1.00 0.00 O ATOM 475 OD2 ASP A 33 -3.153 -8.776 -10.843 1.00 0.00 O ATOM 0 H ASP A 33 -7.128 -6.799 -8.644 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.810 -9.339 -10.120 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.097 -7.299 -10.143 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.613 -7.959 -8.594 1.00 0.00 H new ATOM 480 N GLY A 34 -7.700 -9.402 -7.342 1.00 0.00 N ATOM 481 CA GLY A 34 -7.877 -10.061 -6.059 1.00 0.00 C ATOM 482 C GLY A 34 -6.871 -9.538 -5.031 1.00 0.00 C ATOM 483 O GLY A 34 -5.701 -9.918 -5.054 1.00 0.00 O ATOM 0 H GLY A 34 -8.535 -8.939 -7.702 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.892 -9.895 -5.697 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.754 -11.137 -6.179 1.00 0.00 H new ATOM 487 N GLY A 35 -7.363 -8.676 -4.155 1.00 0.00 N ATOM 488 CA GLY A 35 -6.523 -8.097 -3.121 1.00 0.00 C ATOM 489 C GLY A 35 -6.980 -6.679 -2.773 1.00 0.00 C ATOM 490 O GLY A 35 -7.049 -5.813 -3.644 1.00 0.00 O ATOM 0 H GLY A 35 -8.334 -8.364 -4.140 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.555 -8.722 -2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.487 -8.076 -3.459 1.00 0.00 H new ATOM 494 N ASP A 36 -7.282 -6.485 -1.497 1.00 0.00 N ATOM 495 CA ASP A 36 -7.731 -5.188 -1.023 1.00 0.00 C ATOM 496 C ASP A 36 -6.569 -4.472 -0.330 1.00 0.00 C ATOM 497 O ASP A 36 -6.249 -4.770 0.820 1.00 0.00 O ATOM 498 CB ASP A 36 -8.868 -5.334 -0.009 1.00 0.00 C ATOM 499 CG ASP A 36 -9.834 -4.151 0.055 1.00 0.00 C ATOM 500 OD1 ASP A 36 -9.362 -3.018 -0.182 1.00 0.00 O ATOM 501 OD2 ASP A 36 -11.025 -4.405 0.338 1.00 0.00 O ATOM 0 H ASP A 36 -7.224 -7.205 -0.777 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.086 -4.620 -1.883 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.435 -6.234 -0.249 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.435 -5.484 0.980 1.00 0.00 H new ATOM 506 N VAL A 37 -5.969 -3.543 -1.060 1.00 0.00 N ATOM 507 CA VAL A 37 -4.850 -2.784 -0.530 1.00 0.00 C ATOM 508 C VAL A 37 -5.378 -1.544 0.195 1.00 0.00 C ATOM 509 O VAL A 37 -5.907 -0.630 -0.435 1.00 0.00 O ATOM 510 CB VAL A 37 -3.868 -2.446 -1.654 1.00 0.00 C ATOM 511 CG1 VAL A 37 -2.916 -1.325 -1.232 1.00 0.00 C ATOM 512 CG2 VAL A 37 -3.091 -3.688 -2.095 1.00 0.00 C ATOM 0 H VAL A 37 -6.237 -3.299 -2.014 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.298 -3.377 0.199 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.445 -2.091 -2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.229 -1.104 -2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.491 -0.431 -0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.349 -1.640 -0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.400 -3.420 -2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.530 -4.086 -1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.788 -4.444 -2.456 1.00 0.00 H new ATOM 522 N ILE A 38 -5.215 -1.553 1.510 1.00 0.00 N ATOM 523 CA ILE A 38 -5.668 -0.440 2.328 1.00 0.00 C ATOM 524 C ILE A 38 -4.490 0.106 3.136 1.00 0.00 C ATOM 525 O ILE A 38 -3.975 -0.571 4.025 1.00 0.00 O ATOM 526 CB ILE A 38 -6.862 -0.860 3.187 1.00 0.00 C ATOM 527 CG1 ILE A 38 -7.888 -1.637 2.360 1.00 0.00 C ATOM 528 CG2 ILE A 38 -7.487 0.350 3.886 1.00 0.00 C ATOM 529 CD1 ILE A 38 -7.563 -3.131 2.345 1.00 0.00 C ATOM 0 H ILE A 38 -4.776 -2.313 2.029 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.027 0.375 1.699 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.502 -1.532 3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.885 -1.482 2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.903 -1.254 1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.334 0.024 4.490 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.744 0.823 4.528 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.829 1.066 3.138 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.308 -3.659 1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.576 -3.284 1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.573 -3.516 3.365 1.00 0.00 H new ATOM 541 N TYR A 39 -4.098 1.326 2.799 1.00 0.00 N ATOM 542 CA TYR A 39 -2.990 1.971 3.482 1.00 0.00 C ATOM 543 C TYR A 39 -3.399 2.421 4.887 1.00 0.00 C ATOM 544 O TYR A 39 -4.112 3.411 5.043 1.00 0.00 O ATOM 545 CB TYR A 39 -2.640 3.204 2.647 1.00 0.00 C ATOM 546 CG TYR A 39 -1.958 4.320 3.441 1.00 0.00 C ATOM 547 CD1 TYR A 39 -1.197 4.012 4.550 1.00 0.00 C ATOM 548 CD2 TYR A 39 -2.101 5.635 3.047 1.00 0.00 C ATOM 549 CE1 TYR A 39 -0.554 5.062 5.298 1.00 0.00 C ATOM 550 CE2 TYR A 39 -1.460 6.686 3.793 1.00 0.00 C ATOM 551 CZ TYR A 39 -0.718 6.347 4.882 1.00 0.00 C ATOM 552 OH TYR A 39 -0.111 7.339 5.587 1.00 0.00 O ATOM 0 H TYR A 39 -4.528 1.885 2.062 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.150 1.284 3.585 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.986 2.902 1.829 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.552 3.597 2.198 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.083 2.983 4.858 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.695 5.876 2.178 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.044 4.835 6.168 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.565 7.719 3.495 1.00 0.00 H new ATOM 0 HH TYR A 39 0.712 7.609 5.129 1.00 0.00 H new ATOM 562 N ARG A 40 -2.931 1.671 5.873 1.00 0.00 N ATOM 563 CA ARG A 40 -3.239 1.979 7.259 1.00 0.00 C ATOM 564 C ARG A 40 -1.952 2.055 8.084 1.00 0.00 C ATOM 565 O ARG A 40 -1.483 1.044 8.605 1.00 0.00 O ATOM 566 CB ARG A 40 -4.164 0.923 7.867 1.00 0.00 C ATOM 567 CG ARG A 40 -5.286 0.555 6.895 1.00 0.00 C ATOM 568 CD ARG A 40 -6.436 1.562 6.979 1.00 0.00 C ATOM 569 NE ARG A 40 -6.480 2.383 5.749 1.00 0.00 N ATOM 570 CZ ARG A 40 -7.459 3.251 5.460 1.00 0.00 C ATOM 571 NH1 ARG A 40 -8.482 3.415 6.310 1.00 0.00 N ATOM 572 NH2 ARG A 40 -7.417 3.955 4.321 1.00 0.00 N ATOM 0 H ARG A 40 -2.340 0.850 5.740 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.746 2.944 7.279 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.589 0.032 8.119 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.591 1.300 8.796 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.896 0.527 5.878 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.656 -0.445 7.122 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.382 1.036 7.109 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.305 2.204 7.850 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.717 2.282 5.079 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.515 2.879 7.177 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.227 4.076 6.090 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.639 3.830 3.673 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.163 4.615 4.102 1.00 0.00 H new ATOM 586 N GLY A 41 -1.419 3.265 8.181 1.00 0.00 N ATOM 587 CA GLY A 41 -0.196 3.486 8.934 1.00 0.00 C ATOM 588 C GLY A 41 1.009 3.610 7.999 1.00 0.00 C ATOM 589 O GLY A 41 1.193 2.787 7.105 1.00 0.00 O ATOM 0 H GLY A 41 -1.812 4.102 7.751 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.292 4.392 9.532 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.038 2.661 9.629 1.00 0.00 H new ATOM 593 N PHE A 42 1.798 4.647 8.238 1.00 0.00 N ATOM 594 CA PHE A 42 2.980 4.891 7.429 1.00 0.00 C ATOM 595 C PHE A 42 4.124 5.441 8.282 1.00 0.00 C ATOM 596 O PHE A 42 4.050 6.564 8.778 1.00 0.00 O ATOM 597 CB PHE A 42 2.596 5.933 6.378 1.00 0.00 C ATOM 598 CG PHE A 42 3.777 6.451 5.555 1.00 0.00 C ATOM 599 CD1 PHE A 42 4.485 7.530 5.984 1.00 0.00 C ATOM 600 CD2 PHE A 42 4.119 5.833 4.393 1.00 0.00 C ATOM 601 CE1 PHE A 42 5.580 8.011 5.219 1.00 0.00 C ATOM 602 CE2 PHE A 42 5.215 6.313 3.628 1.00 0.00 C ATOM 603 CZ PHE A 42 5.922 7.393 4.058 1.00 0.00 C ATOM 0 H PHE A 42 1.642 5.328 8.981 1.00 0.00 H new ATOM 0 HA PHE A 42 3.318 3.960 6.974 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.859 5.499 5.703 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.115 6.776 6.875 1.00 0.00 H new ATOM 0 HD1 PHE A 42 4.214 8.021 6.907 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.557 4.976 4.052 1.00 0.00 H new ATOM 0 HE1 PHE A 42 6.141 8.868 5.560 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.487 5.821 2.706 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.755 7.759 3.477 1.00 0.00 H new ATOM 613 N GLU A 43 5.158 4.624 8.426 1.00 0.00 N ATOM 614 CA GLU A 43 6.317 5.015 9.210 1.00 0.00 C ATOM 615 C GLU A 43 7.592 4.427 8.603 1.00 0.00 C ATOM 616 O GLU A 43 7.558 3.360 7.991 1.00 0.00 O ATOM 617 CB GLU A 43 6.159 4.590 10.672 1.00 0.00 C ATOM 618 CG GLU A 43 6.058 3.067 10.792 1.00 0.00 C ATOM 619 CD GLU A 43 6.661 2.581 12.112 1.00 0.00 C ATOM 620 OE1 GLU A 43 7.894 2.378 12.131 1.00 0.00 O ATOM 621 OE2 GLU A 43 5.874 2.422 13.070 1.00 0.00 O ATOM 0 H GLU A 43 5.217 3.693 8.013 1.00 0.00 H new ATOM 0 HA GLU A 43 6.396 6.102 9.188 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.009 4.949 11.253 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.267 5.052 11.094 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.013 2.762 10.731 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.577 2.597 9.956 1.00 0.00 H new ATOM 628 N ASP A 44 8.687 5.148 8.794 1.00 0.00 N ATOM 629 CA ASP A 44 9.971 4.710 8.272 1.00 0.00 C ATOM 630 C ASP A 44 9.841 4.439 6.772 1.00 0.00 C ATOM 631 O ASP A 44 10.663 3.730 6.192 1.00 0.00 O ATOM 632 CB ASP A 44 10.429 3.417 8.949 1.00 0.00 C ATOM 633 CG ASP A 44 11.272 3.611 10.210 1.00 0.00 C ATOM 634 OD1 ASP A 44 12.377 4.179 10.072 1.00 0.00 O ATOM 635 OD2 ASP A 44 10.793 3.187 11.284 1.00 0.00 O ATOM 0 H ASP A 44 8.712 6.032 9.303 1.00 0.00 H new ATOM 0 HA ASP A 44 10.700 5.496 8.467 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.549 2.828 9.206 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.005 2.833 8.231 1.00 0.00 H new ATOM 640 N GLY A 45 8.803 5.016 6.186 1.00 0.00 N ATOM 641 CA GLY A 45 8.555 4.846 4.764 1.00 0.00 C ATOM 642 C GLY A 45 7.739 3.579 4.498 1.00 0.00 C ATOM 643 O GLY A 45 6.884 3.561 3.614 1.00 0.00 O ATOM 0 H GLY A 45 8.123 5.602 6.670 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.021 5.714 4.378 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.503 4.791 4.230 1.00 0.00 H new ATOM 647 N ILE A 46 8.032 2.550 5.280 1.00 0.00 N ATOM 648 CA ILE A 46 7.336 1.282 5.141 1.00 0.00 C ATOM 649 C ILE A 46 5.828 1.517 5.263 1.00 0.00 C ATOM 650 O ILE A 46 5.305 1.648 6.368 1.00 0.00 O ATOM 651 CB ILE A 46 7.881 0.258 6.138 1.00 0.00 C ATOM 652 CG1 ILE A 46 9.371 0.004 5.902 1.00 0.00 C ATOM 653 CG2 ILE A 46 7.065 -1.035 6.098 1.00 0.00 C ATOM 654 CD1 ILE A 46 9.581 -1.068 4.829 1.00 0.00 C ATOM 0 H ILE A 46 8.742 2.569 6.012 1.00 0.00 H new ATOM 0 HA ILE A 46 7.515 0.856 4.154 1.00 0.00 H new ATOM 0 HB ILE A 46 7.779 0.670 7.142 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.858 0.930 5.596 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.842 -0.311 6.833 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.474 -1.746 6.816 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.027 -0.818 6.352 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.111 -1.464 5.097 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.649 -1.230 4.680 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.114 -1.999 5.149 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.130 -0.739 3.893 1.00 0.00 H new ATOM 666 N VAL A 47 5.173 1.563 4.112 1.00 0.00 N ATOM 667 CA VAL A 47 3.737 1.778 4.076 1.00 0.00 C ATOM 668 C VAL A 47 3.022 0.501 4.519 1.00 0.00 C ATOM 669 O VAL A 47 3.430 -0.601 4.155 1.00 0.00 O ATOM 670 CB VAL A 47 3.313 2.249 2.683 1.00 0.00 C ATOM 671 CG1 VAL A 47 1.847 2.686 2.675 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.223 3.372 2.183 1.00 0.00 C ATOM 0 H VAL A 47 5.611 1.455 3.197 1.00 0.00 H new ATOM 0 HA VAL A 47 3.452 2.567 4.772 1.00 0.00 H new ATOM 0 HB VAL A 47 3.415 1.406 1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.571 3.016 1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.216 1.847 2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.708 3.507 3.379 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.900 3.688 1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.168 4.217 2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.251 3.012 2.132 1.00 0.00 H new ATOM 682 N ARG A 48 1.967 0.690 5.298 1.00 0.00 N ATOM 683 CA ARG A 48 1.192 -0.434 5.794 1.00 0.00 C ATOM 684 C ARG A 48 -0.064 -0.629 4.943 1.00 0.00 C ATOM 685 O ARG A 48 -0.999 0.168 5.017 1.00 0.00 O ATOM 686 CB ARG A 48 0.782 -0.220 7.253 1.00 0.00 C ATOM 687 CG ARG A 48 1.980 -0.394 8.189 1.00 0.00 C ATOM 688 CD ARG A 48 1.709 0.248 9.551 1.00 0.00 C ATOM 689 NE ARG A 48 2.892 0.097 10.427 1.00 0.00 N ATOM 690 CZ ARG A 48 3.212 -1.034 11.069 1.00 0.00 C ATOM 691 NH1 ARG A 48 2.438 -2.120 10.939 1.00 0.00 N ATOM 692 NH2 ARG A 48 4.306 -1.080 11.843 1.00 0.00 N ATOM 0 H ARG A 48 1.631 1.605 5.598 1.00 0.00 H new ATOM 0 HA ARG A 48 1.820 -1.323 5.731 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.363 0.779 7.374 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.001 -0.929 7.522 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.193 -1.455 8.319 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.865 0.057 7.740 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.473 1.305 9.424 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.840 -0.219 10.016 1.00 0.00 H new ATOM 0 HE ARG A 48 3.502 0.905 10.550 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.605 -2.085 10.351 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.682 -2.981 11.428 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.895 -0.253 11.943 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.549 -1.942 12.332 1.00 0.00 H new ATOM 706 N LEU A 49 -0.047 -1.693 4.154 1.00 0.00 N ATOM 707 CA LEU A 49 -1.173 -2.003 3.290 1.00 0.00 C ATOM 708 C LEU A 49 -1.732 -3.378 3.661 1.00 0.00 C ATOM 709 O LEU A 49 -1.026 -4.383 3.579 1.00 0.00 O ATOM 710 CB LEU A 49 -0.769 -1.880 1.819 1.00 0.00 C ATOM 711 CG LEU A 49 -0.012 -0.608 1.436 1.00 0.00 C ATOM 712 CD1 LEU A 49 -0.886 0.632 1.638 1.00 0.00 C ATOM 713 CD2 LEU A 49 1.310 -0.506 2.197 1.00 0.00 C ATOM 0 H LEU A 49 0.730 -2.352 4.095 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.977 -1.281 3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.150 -2.739 1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.670 -1.940 1.209 1.00 0.00 H new ATOM 0 HG LEU A 49 0.231 -0.662 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.324 1.523 1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.777 0.555 1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.181 0.703 2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.828 0.408 1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.112 -0.485 3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.934 -1.368 1.960 1.00 0.00 H new ATOM 725 N LYS A 50 -2.996 -3.380 4.061 1.00 0.00 N ATOM 726 CA LYS A 50 -3.657 -4.615 4.445 1.00 0.00 C ATOM 727 C LYS A 50 -4.196 -5.311 3.194 1.00 0.00 C ATOM 728 O LYS A 50 -5.406 -5.367 2.982 1.00 0.00 O ATOM 729 CB LYS A 50 -4.727 -4.342 5.505 1.00 0.00 C ATOM 730 CG LYS A 50 -5.430 -5.637 5.919 1.00 0.00 C ATOM 731 CD LYS A 50 -6.390 -5.390 7.085 1.00 0.00 C ATOM 732 CE LYS A 50 -7.595 -4.560 6.636 1.00 0.00 C ATOM 733 NZ LYS A 50 -8.731 -4.752 7.566 1.00 0.00 N ATOM 0 H LYS A 50 -3.579 -2.546 4.127 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.946 -5.299 4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.269 -3.877 6.378 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.459 -3.635 5.115 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.980 -6.044 5.070 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.688 -6.382 6.205 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.731 -6.343 7.489 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.866 -4.872 7.889 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.323 -3.505 6.597 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.889 -4.851 5.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.541 -4.182 7.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.000 -5.757 7.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.452 -4.452 8.522 1.00 0.00 H new ATOM 747 N LEU A 51 -3.270 -5.823 2.396 1.00 0.00 N ATOM 748 CA LEU A 51 -3.637 -6.512 1.170 1.00 0.00 C ATOM 749 C LEU A 51 -3.679 -8.019 1.432 1.00 0.00 C ATOM 750 O LEU A 51 -2.936 -8.529 2.270 1.00 0.00 O ATOM 751 CB LEU A 51 -2.700 -6.112 0.029 1.00 0.00 C ATOM 752 CG LEU A 51 -1.873 -7.243 -0.588 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.655 -7.951 -1.697 1.00 0.00 C ATOM 754 CD2 LEU A 51 -0.520 -6.726 -1.081 1.00 0.00 C ATOM 0 H LEU A 51 -2.267 -5.775 2.574 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.636 -6.215 0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.296 -5.652 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.016 -5.348 0.398 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.672 -7.982 0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.045 -8.750 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.571 -8.373 -1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.906 -7.235 -2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.048 -7.549 -1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.678 -5.956 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.035 -6.304 -0.243 1.00 0.00 H new ATOM 988 N GLY A 68 7.219 -4.721 -7.954 1.00 0.00 N ATOM 989 CA GLY A 68 6.906 -3.734 -8.973 1.00 0.00 C ATOM 990 C GLY A 68 6.212 -2.515 -8.360 1.00 0.00 C ATOM 991 O GLY A 68 6.585 -1.377 -8.641 1.00 0.00 O ATOM 0 HA2 GLY A 68 7.822 -3.422 -9.475 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.263 -4.180 -9.731 1.00 0.00 H new ATOM 995 N ILE A 69 5.214 -2.795 -7.535 1.00 0.00 N ATOM 996 CA ILE A 69 4.464 -1.736 -6.881 1.00 0.00 C ATOM 997 C ILE A 69 5.377 -1.006 -5.893 1.00 0.00 C ATOM 998 O ILE A 69 5.478 0.218 -5.924 1.00 0.00 O ATOM 999 CB ILE A 69 3.191 -2.296 -6.244 1.00 0.00 C ATOM 1000 CG1 ILE A 69 2.095 -2.495 -7.294 1.00 0.00 C ATOM 1001 CG2 ILE A 69 2.723 -1.412 -5.087 1.00 0.00 C ATOM 1002 CD1 ILE A 69 1.108 -3.579 -6.857 1.00 0.00 C ATOM 0 H ILE A 69 4.907 -3.740 -7.304 1.00 0.00 H new ATOM 0 HA ILE A 69 4.129 -0.999 -7.611 1.00 0.00 H new ATOM 0 HB ILE A 69 3.420 -3.277 -5.827 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.564 -1.557 -7.453 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.545 -2.771 -8.247 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.816 -1.832 -4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.503 -1.365 -4.327 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.516 -0.408 -5.457 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.340 -3.701 -7.620 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.639 -4.522 -6.723 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.641 -3.288 -5.916 1.00 0.00 H new ATOM 1014 N GLN A 70 6.018 -1.792 -5.040 1.00 0.00 N ATOM 1015 CA GLN A 70 6.919 -1.236 -4.044 1.00 0.00 C ATOM 1016 C GLN A 70 7.873 -0.230 -4.693 1.00 0.00 C ATOM 1017 O GLN A 70 7.933 0.927 -4.283 1.00 0.00 O ATOM 1018 CB GLN A 70 7.694 -2.343 -3.327 1.00 0.00 C ATOM 1019 CG GLN A 70 8.413 -1.797 -2.091 1.00 0.00 C ATOM 1020 CD GLN A 70 9.872 -2.257 -2.058 1.00 0.00 C ATOM 1021 OE1 GLN A 70 10.248 -3.162 -1.332 1.00 0.00 O ATOM 1022 NE2 GLN A 70 10.669 -1.583 -2.882 1.00 0.00 N ATOM 0 H GLN A 70 5.932 -2.808 -5.018 1.00 0.00 H new ATOM 0 HA GLN A 70 6.324 -0.712 -3.296 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.010 -3.139 -3.032 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.420 -2.784 -4.010 1.00 0.00 H new ATOM 0 HG2 GLN A 70 8.371 -0.708 -2.093 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.901 -2.134 -1.190 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.288 -0.836 -3.463 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.661 -1.813 -2.933 1.00 0.00 H new ATOM 1031 N ASN A 71 8.594 -0.710 -5.695 1.00 0.00 N ATOM 1032 CA ASN A 71 9.542 0.133 -6.405 1.00 0.00 C ATOM 1033 C ASN A 71 8.830 1.398 -6.889 1.00 0.00 C ATOM 1034 O ASN A 71 9.240 2.509 -6.557 1.00 0.00 O ATOM 1035 CB ASN A 71 10.108 -0.588 -7.630 1.00 0.00 C ATOM 1036 CG ASN A 71 11.607 -0.319 -7.779 1.00 0.00 C ATOM 1037 OD1 ASN A 71 12.317 -0.062 -6.820 1.00 0.00 O ATOM 1038 ND2 ASN A 71 12.049 -0.394 -9.031 1.00 0.00 N ATOM 0 H ASN A 71 8.541 -1.671 -6.032 1.00 0.00 H new ATOM 0 HA ASN A 71 10.355 0.377 -5.721 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.934 -1.660 -7.538 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.584 -0.256 -8.526 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.035 -0.232 -9.234 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.402 -0.613 -9.788 1.00 0.00 H new ATOM 1045 N MET A 72 7.777 1.187 -7.663 1.00 0.00 N ATOM 1046 CA MET A 72 7.005 2.297 -8.196 1.00 0.00 C ATOM 1047 C MET A 72 6.621 3.280 -7.087 1.00 0.00 C ATOM 1048 O MET A 72 6.861 4.481 -7.207 1.00 0.00 O ATOM 1049 CB MET A 72 5.737 1.763 -8.865 1.00 0.00 C ATOM 1050 CG MET A 72 4.722 2.885 -9.091 1.00 0.00 C ATOM 1051 SD MET A 72 3.449 2.819 -7.842 1.00 0.00 S ATOM 1052 CE MET A 72 2.666 1.275 -8.279 1.00 0.00 C ATOM 0 H MET A 72 7.439 0.264 -7.934 1.00 0.00 H new ATOM 0 HA MET A 72 7.618 2.823 -8.927 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.992 1.301 -9.819 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.293 0.986 -8.243 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.224 3.852 -9.059 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.276 2.789 -10.081 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.684 1.474 -8.708 1.00 0.00 H new ATOM 0 HE2 MET A 72 3.281 0.749 -9.009 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.554 0.659 -7.387 1.00 0.00 H new ATOM 1062 N LEU A 73 6.033 2.733 -6.033 1.00 0.00 N ATOM 1063 CA LEU A 73 5.615 3.546 -4.904 1.00 0.00 C ATOM 1064 C LEU A 73 6.732 4.528 -4.546 1.00 0.00 C ATOM 1065 O LEU A 73 6.475 5.706 -4.303 1.00 0.00 O ATOM 1066 CB LEU A 73 5.179 2.659 -3.737 1.00 0.00 C ATOM 1067 CG LEU A 73 3.749 2.867 -3.234 1.00 0.00 C ATOM 1068 CD1 LEU A 73 3.497 2.070 -1.952 1.00 0.00 C ATOM 1069 CD2 LEU A 73 3.443 4.355 -3.052 1.00 0.00 C ATOM 0 H LEU A 73 5.836 1.737 -5.937 1.00 0.00 H new ATOM 0 HA LEU A 73 4.740 4.140 -5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.289 1.617 -4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.863 2.825 -2.905 1.00 0.00 H new ATOM 0 HG LEU A 73 3.062 2.487 -3.990 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.473 2.236 -1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.647 1.008 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.191 2.398 -1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.421 4.475 -2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.134 4.782 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.556 4.869 -4.007 1.00 0.00 H new ATOM 1081 N GLN A 74 7.950 4.006 -4.526 1.00 0.00 N ATOM 1082 CA GLN A 74 9.108 4.822 -4.200 1.00 0.00 C ATOM 1083 C GLN A 74 9.425 5.776 -5.354 1.00 0.00 C ATOM 1084 O GLN A 74 9.564 6.981 -5.148 1.00 0.00 O ATOM 1085 CB GLN A 74 10.318 3.948 -3.865 1.00 0.00 C ATOM 1086 CG GLN A 74 10.332 3.578 -2.380 1.00 0.00 C ATOM 1087 CD GLN A 74 10.760 2.123 -2.182 1.00 0.00 C ATOM 1088 OE1 GLN A 74 11.912 1.759 -2.353 1.00 0.00 O ATOM 1089 NE2 GLN A 74 9.772 1.313 -1.813 1.00 0.00 N ATOM 0 H GLN A 74 8.160 3.029 -4.730 1.00 0.00 H new ATOM 0 HA GLN A 74 8.873 5.415 -3.316 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.295 3.041 -4.469 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.236 4.478 -4.120 1.00 0.00 H new ATOM 0 HG2 GLN A 74 11.014 4.238 -1.844 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.340 3.730 -1.954 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.830 1.682 -1.687 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.957 0.322 -1.656 1.00 0.00 H new ATOM 1098 N PHE A 75 9.529 5.202 -6.543 1.00 0.00 N ATOM 1099 CA PHE A 75 9.826 5.987 -7.730 1.00 0.00 C ATOM 1100 C PHE A 75 9.051 7.306 -7.724 1.00 0.00 C ATOM 1101 O PHE A 75 9.604 8.357 -8.044 1.00 0.00 O ATOM 1102 CB PHE A 75 9.387 5.157 -8.938 1.00 0.00 C ATOM 1103 CG PHE A 75 9.091 5.986 -10.188 1.00 0.00 C ATOM 1104 CD1 PHE A 75 7.884 6.596 -10.330 1.00 0.00 C ATOM 1105 CD2 PHE A 75 10.036 6.113 -11.159 1.00 0.00 C ATOM 1106 CE1 PHE A 75 7.609 7.365 -11.491 1.00 0.00 C ATOM 1107 CE2 PHE A 75 9.760 6.882 -12.320 1.00 0.00 C ATOM 1108 CZ PHE A 75 8.552 7.492 -12.462 1.00 0.00 C ATOM 0 H PHE A 75 9.413 4.203 -6.711 1.00 0.00 H new ATOM 0 HA PHE A 75 10.890 6.222 -7.763 1.00 0.00 H new ATOM 0 HB2 PHE A 75 10.168 4.433 -9.171 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.495 4.590 -8.671 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.134 6.495 -9.559 1.00 0.00 H new ATOM 0 HD2 PHE A 75 10.995 5.629 -11.046 1.00 0.00 H new ATOM 0 HE1 PHE A 75 6.650 7.849 -11.603 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.509 6.983 -13.091 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.342 8.077 -13.346 1.00 0.00 H new ATOM 1118 N TYR A 76 7.783 7.207 -7.354 1.00 0.00 N ATOM 1119 CA TYR A 76 6.926 8.380 -7.302 1.00 0.00 C ATOM 1120 C TYR A 76 7.234 9.230 -6.068 1.00 0.00 C ATOM 1121 O TYR A 76 7.535 10.417 -6.186 1.00 0.00 O ATOM 1122 CB TYR A 76 5.494 7.851 -7.199 1.00 0.00 C ATOM 1123 CG TYR A 76 4.886 7.433 -8.540 1.00 0.00 C ATOM 1124 CD1 TYR A 76 4.738 8.362 -9.549 1.00 0.00 C ATOM 1125 CD2 TYR A 76 4.487 6.127 -8.738 1.00 0.00 C ATOM 1126 CE1 TYR A 76 4.166 7.969 -10.811 1.00 0.00 C ATOM 1127 CE2 TYR A 76 3.915 5.734 -10.000 1.00 0.00 C ATOM 1128 CZ TYR A 76 3.783 6.674 -10.974 1.00 0.00 C ATOM 1129 OH TYR A 76 3.243 6.303 -12.166 1.00 0.00 O ATOM 0 H TYR A 76 7.328 6.334 -7.087 1.00 0.00 H new ATOM 0 HA TYR A 76 7.078 9.006 -8.181 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.482 6.995 -6.524 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.865 8.620 -6.751 1.00 0.00 H new ATOM 0 HD1 TYR A 76 5.051 9.384 -9.393 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.604 5.400 -7.948 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.044 8.686 -11.609 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.598 4.716 -10.169 1.00 0.00 H new ATOM 0 HH TYR A 76 3.017 5.350 -12.140 1.00 0.00 H new ATOM 1139 N ILE A 77 7.148 8.588 -4.911 1.00 0.00 N ATOM 1140 CA ILE A 77 7.414 9.271 -3.656 1.00 0.00 C ATOM 1141 C ILE A 77 8.613 8.615 -2.969 1.00 0.00 C ATOM 1142 O ILE A 77 8.565 7.438 -2.617 1.00 0.00 O ATOM 1143 CB ILE A 77 6.154 9.309 -2.790 1.00 0.00 C ATOM 1144 CG1 ILE A 77 5.037 10.093 -3.480 1.00 0.00 C ATOM 1145 CG2 ILE A 77 6.464 9.857 -1.396 1.00 0.00 C ATOM 1146 CD1 ILE A 77 3.699 9.887 -2.766 1.00 0.00 C ATOM 0 H ILE A 77 6.898 7.604 -4.817 1.00 0.00 H new ATOM 0 HA ILE A 77 7.680 10.312 -3.837 1.00 0.00 H new ATOM 0 HB ILE A 77 5.796 8.287 -2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.287 11.154 -3.492 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.952 9.773 -4.519 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.551 9.874 -0.800 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.203 9.219 -0.910 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.859 10.869 -1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.922 10.456 -3.277 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.440 8.828 -2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.780 10.230 -1.735 1.00 0.00 H new ATOM 1158 N PRO A 78 9.690 9.428 -2.793 1.00 0.00 N ATOM 1159 CA PRO A 78 10.900 8.940 -2.154 1.00 0.00 C ATOM 1160 C PRO A 78 10.708 8.810 -0.642 1.00 0.00 C ATOM 1161 O PRO A 78 11.610 8.369 0.068 1.00 0.00 O ATOM 1162 CB PRO A 78 11.977 9.944 -2.532 1.00 0.00 C ATOM 1163 CG PRO A 78 11.241 11.196 -2.976 1.00 0.00 C ATOM 1164 CD PRO A 78 9.783 10.827 -3.196 1.00 0.00 C ATOM 0 HA PRO A 78 11.175 7.938 -2.484 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.630 10.154 -1.685 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.608 9.557 -3.332 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.327 11.977 -2.221 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.678 11.590 -3.894 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.121 11.456 -2.600 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.494 10.959 -4.239 1.00 0.00 H new ATOM 1172 N GLU A 79 9.524 9.202 -0.193 1.00 0.00 N ATOM 1173 CA GLU A 79 9.201 9.134 1.223 1.00 0.00 C ATOM 1174 C GLU A 79 9.040 7.678 1.662 1.00 0.00 C ATOM 1175 O GLU A 79 9.399 7.321 2.784 1.00 0.00 O ATOM 1176 CB GLU A 79 7.942 9.945 1.537 1.00 0.00 C ATOM 1177 CG GLU A 79 7.996 11.321 0.871 1.00 0.00 C ATOM 1178 CD GLU A 79 8.155 12.429 1.915 1.00 0.00 C ATOM 1179 OE1 GLU A 79 8.801 12.147 2.947 1.00 0.00 O ATOM 1180 OE2 GLU A 79 7.628 13.533 1.657 1.00 0.00 O ATOM 0 H GLU A 79 8.777 9.567 -0.784 1.00 0.00 H new ATOM 0 HA GLU A 79 10.025 9.572 1.785 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.061 9.404 1.191 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.841 10.063 2.616 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.828 11.356 0.168 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.085 11.487 0.295 1.00 0.00 H new ATOM 1187 N VAL A 80 8.500 6.876 0.756 1.00 0.00 N ATOM 1188 CA VAL A 80 8.287 5.467 1.037 1.00 0.00 C ATOM 1189 C VAL A 80 9.639 4.756 1.113 1.00 0.00 C ATOM 1190 O VAL A 80 10.665 5.324 0.740 1.00 0.00 O ATOM 1191 CB VAL A 80 7.351 4.861 -0.012 1.00 0.00 C ATOM 1192 CG1 VAL A 80 7.107 3.375 0.265 1.00 0.00 C ATOM 1193 CG2 VAL A 80 6.031 5.631 -0.080 1.00 0.00 C ATOM 0 H VAL A 80 8.204 7.175 -0.173 1.00 0.00 H new ATOM 0 HA VAL A 80 7.798 5.340 2.003 1.00 0.00 H new ATOM 0 HB VAL A 80 7.837 4.945 -0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.439 2.968 -0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.056 2.839 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.652 3.258 1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.385 5.180 -0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.538 5.594 0.891 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.229 6.669 -0.347 1.00 0.00 H new ATOM 1203 N GLU A 81 9.598 3.525 1.600 1.00 0.00 N ATOM 1204 CA GLU A 81 10.808 2.731 1.731 1.00 0.00 C ATOM 1205 C GLU A 81 10.552 1.294 1.272 1.00 0.00 C ATOM 1206 O GLU A 81 11.331 0.738 0.499 1.00 0.00 O ATOM 1207 CB GLU A 81 11.331 2.762 3.169 1.00 0.00 C ATOM 1208 CG GLU A 81 12.169 4.017 3.420 1.00 0.00 C ATOM 1209 CD GLU A 81 13.489 3.666 4.109 1.00 0.00 C ATOM 1210 OE1 GLU A 81 14.108 2.670 3.676 1.00 0.00 O ATOM 1211 OE2 GLU A 81 13.850 4.403 5.053 1.00 0.00 O ATOM 0 H GLU A 81 8.746 3.058 1.909 1.00 0.00 H new ATOM 0 HA GLU A 81 11.575 3.165 1.090 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.493 2.735 3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.933 1.874 3.360 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.371 4.519 2.474 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.607 4.717 4.038 1.00 0.00 H new ATOM 1218 N GLY A 82 9.458 0.734 1.767 1.00 0.00 N ATOM 1219 CA GLY A 82 9.090 -0.627 1.417 1.00 0.00 C ATOM 1220 C GLY A 82 7.578 -0.834 1.533 1.00 0.00 C ATOM 1221 O GLY A 82 6.817 0.132 1.567 1.00 0.00 O ATOM 0 H GLY A 82 8.814 1.198 2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.413 -0.844 0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.608 -1.327 2.072 1.00 0.00 H new ATOM 1225 N VAL A 83 7.188 -2.099 1.588 1.00 0.00 N ATOM 1226 CA VAL A 83 5.782 -2.443 1.699 1.00 0.00 C ATOM 1227 C VAL A 83 5.620 -3.593 2.697 1.00 0.00 C ATOM 1228 O VAL A 83 6.523 -4.413 2.856 1.00 0.00 O ATOM 1229 CB VAL A 83 5.212 -2.768 0.316 1.00 0.00 C ATOM 1230 CG1 VAL A 83 3.844 -3.442 0.432 1.00 0.00 C ATOM 1231 CG2 VAL A 83 5.132 -1.510 -0.551 1.00 0.00 C ATOM 0 H VAL A 83 7.822 -2.898 1.558 1.00 0.00 H new ATOM 0 HA VAL A 83 5.211 -1.597 2.081 1.00 0.00 H new ATOM 0 HB VAL A 83 5.890 -3.469 -0.171 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.461 -3.662 -0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.942 -4.369 0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.152 -2.775 0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.724 -1.767 -1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.485 -0.777 -0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.130 -1.089 -0.674 1.00 0.00 H new ATOM 1241 N GLU A 84 4.463 -3.615 3.342 1.00 0.00 N ATOM 1242 CA GLU A 84 4.172 -4.650 4.320 1.00 0.00 C ATOM 1243 C GLU A 84 2.672 -4.950 4.345 1.00 0.00 C ATOM 1244 O GLU A 84 1.853 -4.032 4.359 1.00 0.00 O ATOM 1245 CB GLU A 84 4.674 -4.250 5.709 1.00 0.00 C ATOM 1246 CG GLU A 84 5.884 -5.092 6.118 1.00 0.00 C ATOM 1247 CD GLU A 84 7.169 -4.262 6.083 1.00 0.00 C ATOM 1248 OE1 GLU A 84 7.580 -3.902 4.959 1.00 0.00 O ATOM 1249 OE2 GLU A 84 7.709 -4.006 7.179 1.00 0.00 O ATOM 0 H GLU A 84 3.716 -2.933 3.207 1.00 0.00 H new ATOM 0 HA GLU A 84 4.700 -5.557 4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.944 -3.194 5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.875 -4.377 6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.732 -5.490 7.121 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.980 -5.946 5.447 1.00 0.00 H new ATOM 1256 N GLN A 85 2.358 -6.237 4.351 1.00 0.00 N ATOM 1257 CA GLN A 85 0.970 -6.668 4.373 1.00 0.00 C ATOM 1258 C GLN A 85 0.436 -6.660 5.807 1.00 0.00 C ATOM 1259 O GLN A 85 0.486 -7.676 6.498 1.00 0.00 O ATOM 1260 CB GLN A 85 0.817 -8.052 3.739 1.00 0.00 C ATOM 1261 CG GLN A 85 -0.654 -8.472 3.690 1.00 0.00 C ATOM 1262 CD GLN A 85 -1.009 -9.363 4.883 1.00 0.00 C ATOM 1263 OE1 GLN A 85 -0.206 -10.139 5.372 1.00 0.00 O ATOM 1264 NE2 GLN A 85 -2.256 -9.208 5.321 1.00 0.00 N ATOM 0 H GLN A 85 3.040 -6.995 4.341 1.00 0.00 H new ATOM 0 HA GLN A 85 0.381 -5.966 3.782 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.230 -8.042 2.730 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.389 -8.783 4.310 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -1.289 -7.586 3.691 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.853 -9.006 2.761 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -2.877 -8.540 4.865 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -2.591 -9.758 6.113 1.00 0.00 H new ATOM 1273 N VAL A 86 -0.064 -5.501 6.211 1.00 0.00 N ATOM 1274 CA VAL A 86 -0.608 -5.346 7.549 1.00 0.00 C ATOM 1275 C VAL A 86 -1.892 -6.169 7.672 1.00 0.00 C ATOM 1276 O VAL A 86 -2.510 -6.514 6.666 1.00 0.00 O ATOM 1277 CB VAL A 86 -0.815 -3.863 7.863 1.00 0.00 C ATOM 1278 CG1 VAL A 86 0.519 -3.175 8.162 1.00 0.00 C ATOM 1279 CG2 VAL A 86 -1.551 -3.160 6.721 1.00 0.00 C ATOM 0 H VAL A 86 -0.104 -4.660 5.635 1.00 0.00 H new ATOM 0 HA VAL A 86 0.093 -5.726 8.292 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.436 -3.792 8.756 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.344 -2.122 8.382 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.990 -3.652 9.022 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.175 -3.261 7.296 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.686 -2.107 6.969 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.967 -3.245 5.805 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.525 -3.626 6.575 1.00 0.00 H new