USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 523 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 17 SER OG : rot 99:sc= 1.21 USER MOD Set 1.2: A 60 SER OG : rot 88:sc= 0.906! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.53 USER MOD Single : A 21 SER OG : rot 140:sc= -1.13 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.12 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -26:sc= 0.343! USER MOD Single : A 36 TYR OH : rot -61:sc= -1.96! USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0.0167 X(o=0.017,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc=-0.00245 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 130:sc= -0.643 USER MOD Single : A 69 THR OG1 : rot 86:sc= 1.11 USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -1.74! C(o=-1.7!,f=-4.9!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.569 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 8 9.494 2.804 -5.667 1.00 0.00 N ATOM 109 CA LEU A 8 8.672 1.581 -5.847 1.00 0.00 C ATOM 110 C LEU A 8 9.514 0.320 -5.660 1.00 0.00 C ATOM 111 O LEU A 8 10.537 0.157 -6.295 1.00 0.00 O ATOM 112 CB LEU A 8 8.106 1.586 -7.276 1.00 0.00 C ATOM 113 CG LEU A 8 7.223 2.822 -7.464 1.00 0.00 C ATOM 114 CD1 LEU A 8 7.673 3.571 -8.718 1.00 0.00 C ATOM 115 CD2 LEU A 8 5.769 2.379 -7.640 1.00 0.00 C ATOM 0 HA LEU A 8 7.874 1.579 -5.104 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.919 1.592 -8.002 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.526 0.680 -7.453 1.00 0.00 H new ATOM 0 HG LEU A 8 7.308 3.472 -6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.048 4.453 -8.859 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.713 3.877 -8.605 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.579 2.918 -9.585 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.135 3.256 -7.774 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.688 1.735 -8.516 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.446 1.830 -6.755 1.00 0.00 H new ATOM 127 N GLU A 9 9.069 -0.551 -4.785 1.00 0.00 N ATOM 128 CA GLU A 9 9.838 -1.803 -4.549 1.00 0.00 C ATOM 129 C GLU A 9 9.100 -2.736 -3.584 1.00 0.00 C ATOM 130 O GLU A 9 8.086 -2.373 -3.011 1.00 0.00 O ATOM 131 CB GLU A 9 11.193 -1.435 -3.929 1.00 0.00 C ATOM 132 CG GLU A 9 10.969 -0.464 -2.768 1.00 0.00 C ATOM 133 CD GLU A 9 12.314 -0.146 -2.112 1.00 0.00 C ATOM 134 OE1 GLU A 9 13.100 -1.071 -2.012 1.00 0.00 O ATOM 135 OE2 GLU A 9 12.479 1.008 -1.748 1.00 0.00 O ATOM 0 H GLU A 9 8.217 -0.447 -4.233 1.00 0.00 H new ATOM 0 HA GLU A 9 9.964 -2.317 -5.502 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.700 -2.333 -3.575 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.838 -0.980 -4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.501 0.452 -3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.289 -0.902 -2.038 1.00 0.00 H new ATOM 142 N VAL A 10 9.630 -3.927 -3.427 1.00 0.00 N ATOM 143 CA VAL A 10 8.990 -4.908 -2.511 1.00 0.00 C ATOM 144 C VAL A 10 9.678 -4.900 -1.144 1.00 0.00 C ATOM 145 O VAL A 10 10.890 -4.917 -1.058 1.00 0.00 O ATOM 146 CB VAL A 10 9.137 -6.308 -3.129 1.00 0.00 C ATOM 147 CG1 VAL A 10 7.927 -7.161 -2.738 1.00 0.00 C ATOM 148 CG2 VAL A 10 9.195 -6.180 -4.652 1.00 0.00 C ATOM 0 H VAL A 10 10.475 -4.255 -3.894 1.00 0.00 H new ATOM 0 HA VAL A 10 7.941 -4.644 -2.377 1.00 0.00 H new ATOM 0 HB VAL A 10 10.050 -6.779 -2.765 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.026 -8.155 -3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.876 -7.244 -1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.016 -6.692 -3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.299 -7.170 -5.097 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.278 -5.715 -5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.049 -5.564 -4.933 1.00 0.00 H new ATOM 158 N VAL A 11 8.890 -4.876 -0.098 1.00 0.00 N ATOM 159 CA VAL A 11 9.489 -4.866 1.266 1.00 0.00 C ATOM 160 C VAL A 11 9.625 -6.276 1.819 1.00 0.00 C ATOM 161 O VAL A 11 10.606 -6.608 2.454 1.00 0.00 O ATOM 162 CB VAL A 11 8.566 -4.057 2.194 1.00 0.00 C ATOM 163 CG1 VAL A 11 9.390 -3.458 3.337 1.00 0.00 C ATOM 164 CG2 VAL A 11 7.921 -2.926 1.394 1.00 0.00 C ATOM 0 H VAL A 11 7.871 -4.863 -0.131 1.00 0.00 H new ATOM 0 HA VAL A 11 10.483 -4.422 1.210 1.00 0.00 H new ATOM 0 HB VAL A 11 7.795 -4.709 2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.737 -2.885 3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.863 -4.260 3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.158 -2.802 2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.265 -2.348 2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.698 -2.276 0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.339 -3.346 0.574 1.00 0.00 H new ATOM 174 N ALA A 12 8.643 -7.078 1.564 1.00 0.00 N ATOM 175 CA ALA A 12 8.692 -8.473 2.065 1.00 0.00 C ATOM 176 C ALA A 12 7.663 -9.342 1.353 1.00 0.00 C ATOM 177 O ALA A 12 6.778 -8.842 0.689 1.00 0.00 O ATOM 178 CB ALA A 12 8.373 -8.459 3.570 1.00 0.00 C ATOM 0 H ALA A 12 7.808 -6.832 1.032 1.00 0.00 H new ATOM 0 HA ALA A 12 9.684 -8.884 1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.404 -9.477 3.958 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.110 -7.849 4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.379 -8.041 3.727 1.00 0.00 H new ATOM 184 N ALA A 13 7.797 -10.629 1.506 1.00 0.00 N ATOM 185 CA ALA A 13 6.837 -11.543 0.846 1.00 0.00 C ATOM 186 C ALA A 13 6.639 -12.802 1.671 1.00 0.00 C ATOM 187 O ALA A 13 7.253 -13.818 1.416 1.00 0.00 O ATOM 188 CB ALA A 13 7.408 -11.938 -0.525 1.00 0.00 C ATOM 0 H ALA A 13 8.526 -11.082 2.057 1.00 0.00 H new ATOM 0 HA ALA A 13 5.877 -11.037 0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.714 -12.612 -1.028 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.549 -11.044 -1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.367 -12.439 -0.389 1.00 0.00 H new ATOM 194 N THR A 14 5.784 -12.714 2.651 1.00 0.00 N ATOM 195 CA THR A 14 5.536 -13.898 3.502 1.00 0.00 C ATOM 196 C THR A 14 4.872 -15.015 2.679 1.00 0.00 C ATOM 197 O THR A 14 4.312 -14.758 1.630 1.00 0.00 O ATOM 198 CB THR A 14 4.588 -13.481 4.631 1.00 0.00 C ATOM 199 OG1 THR A 14 4.036 -12.250 4.214 1.00 0.00 O ATOM 200 CG2 THR A 14 5.376 -13.139 5.904 1.00 0.00 C ATOM 0 H THR A 14 5.252 -11.878 2.894 1.00 0.00 H new ATOM 0 HA THR A 14 6.480 -14.269 3.901 1.00 0.00 H new ATOM 0 HB THR A 14 3.870 -14.277 4.828 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.412 -11.923 4.896 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.683 -12.846 6.693 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.944 -14.012 6.226 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.061 -12.316 5.698 1.00 0.00 H new ATOM 208 N PRO A 15 4.943 -16.250 3.171 1.00 0.00 N ATOM 209 CA PRO A 15 4.342 -17.378 2.466 1.00 0.00 C ATOM 210 C PRO A 15 2.834 -17.196 2.301 1.00 0.00 C ATOM 211 O PRO A 15 2.179 -17.996 1.664 1.00 0.00 O ATOM 212 CB PRO A 15 4.615 -18.602 3.367 1.00 0.00 C ATOM 213 CG PRO A 15 5.322 -18.082 4.656 1.00 0.00 C ATOM 214 CD PRO A 15 5.616 -16.592 4.441 1.00 0.00 C ATOM 0 HA PRO A 15 4.759 -17.482 1.464 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.684 -19.110 3.618 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.244 -19.327 2.850 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.686 -18.227 5.529 1.00 0.00 H new ATOM 0 HG3 PRO A 15 6.244 -18.634 4.839 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.233 -15.991 5.265 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.688 -16.406 4.382 1.00 0.00 H new ATOM 222 N THR A 16 2.311 -16.149 2.881 1.00 0.00 N ATOM 223 CA THR A 16 0.850 -15.911 2.762 1.00 0.00 C ATOM 224 C THR A 16 0.521 -14.418 2.787 1.00 0.00 C ATOM 225 O THR A 16 -0.450 -14.009 3.391 1.00 0.00 O ATOM 226 CB THR A 16 0.156 -16.586 3.949 1.00 0.00 C ATOM 227 OG1 THR A 16 0.693 -17.892 4.004 1.00 0.00 O ATOM 228 CG2 THR A 16 -1.339 -16.794 3.660 1.00 0.00 C ATOM 0 H THR A 16 2.828 -15.458 3.425 1.00 0.00 H new ATOM 0 HA THR A 16 0.506 -16.320 1.812 1.00 0.00 H new ATOM 0 HB THR A 16 0.292 -15.984 4.848 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.288 -18.381 4.750 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.812 -17.275 4.516 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.812 -15.829 3.479 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.455 -17.426 2.780 1.00 0.00 H new ATOM 236 N SER A 17 1.336 -13.628 2.130 1.00 0.00 N ATOM 237 CA SER A 17 1.069 -12.162 2.115 1.00 0.00 C ATOM 238 C SER A 17 2.211 -11.392 1.459 1.00 0.00 C ATOM 239 O SER A 17 3.365 -11.744 1.608 1.00 0.00 O ATOM 240 CB SER A 17 0.921 -11.681 3.565 1.00 0.00 C ATOM 241 OG SER A 17 -0.484 -11.564 3.749 1.00 0.00 O ATOM 0 H SER A 17 2.161 -13.932 1.612 1.00 0.00 H new ATOM 0 HA SER A 17 0.160 -11.981 1.541 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.357 -12.391 4.267 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.425 -10.727 3.722 1.00 0.00 H new ATOM 0 HG SER A 17 -0.821 -12.360 4.211 1.00 0.00 H new ATOM 247 N LEU A 18 1.858 -10.347 0.741 1.00 0.00 N ATOM 248 CA LEU A 18 2.896 -9.523 0.058 1.00 0.00 C ATOM 249 C LEU A 18 2.769 -8.068 0.474 1.00 0.00 C ATOM 250 O LEU A 18 1.674 -7.557 0.601 1.00 0.00 O ATOM 251 CB LEU A 18 2.672 -9.622 -1.467 1.00 0.00 C ATOM 252 CG LEU A 18 3.898 -10.266 -2.129 1.00 0.00 C ATOM 253 CD1 LEU A 18 3.540 -10.684 -3.559 1.00 0.00 C ATOM 254 CD2 LEU A 18 5.046 -9.249 -2.169 1.00 0.00 C ATOM 0 H LEU A 18 0.897 -10.035 0.603 1.00 0.00 H new ATOM 0 HA LEU A 18 3.886 -9.888 0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.781 -10.214 -1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.500 -8.630 -1.884 1.00 0.00 H new ATOM 0 HG LEU A 18 4.205 -11.142 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.409 -11.142 -4.032 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.720 -11.402 -3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.236 -9.806 -4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.918 -9.703 -2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.738 -8.375 -2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.298 -8.945 -1.153 1.00 0.00 H new ATOM 266 N LEU A 19 3.895 -7.428 0.675 1.00 0.00 N ATOM 267 CA LEU A 19 3.871 -5.998 1.088 1.00 0.00 C ATOM 268 C LEU A 19 4.575 -5.125 0.062 1.00 0.00 C ATOM 269 O LEU A 19 5.764 -5.266 -0.159 1.00 0.00 O ATOM 270 CB LEU A 19 4.619 -5.872 2.427 1.00 0.00 C ATOM 271 CG LEU A 19 3.848 -4.931 3.359 1.00 0.00 C ATOM 272 CD1 LEU A 19 2.739 -5.719 4.064 1.00 0.00 C ATOM 273 CD2 LEU A 19 4.811 -4.363 4.404 1.00 0.00 C ATOM 0 H LEU A 19 4.824 -7.835 0.570 1.00 0.00 H new ATOM 0 HA LEU A 19 2.835 -5.671 1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.724 -6.853 2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.626 -5.489 2.258 1.00 0.00 H new ATOM 0 HG LEU A 19 3.408 -4.116 2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.187 -5.055 4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.059 -6.135 3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.181 -6.528 4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.270 -3.692 5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.243 -5.180 4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.607 -3.812 3.904 1.00 0.00 H new ATOM 285 N ILE A 20 3.826 -4.232 -0.544 1.00 0.00 N ATOM 286 CA ILE A 20 4.428 -3.330 -1.564 1.00 0.00 C ATOM 287 C ILE A 20 4.437 -1.896 -1.058 1.00 0.00 C ATOM 288 O ILE A 20 3.586 -1.508 -0.277 1.00 0.00 O ATOM 289 CB ILE A 20 3.594 -3.421 -2.854 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.238 -2.734 -2.677 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.352 -4.906 -3.166 1.00 0.00 C ATOM 292 CD1 ILE A 20 2.277 -1.365 -3.368 1.00 0.00 C ATOM 0 H ILE A 20 2.830 -4.094 -0.374 1.00 0.00 H new ATOM 0 HA ILE A 20 5.456 -3.634 -1.760 1.00 0.00 H new ATOM 0 HB ILE A 20 4.134 -2.928 -3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.446 -3.349 -3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.012 -2.614 -1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.762 -4.995 -4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.309 -5.410 -3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.813 -5.369 -2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.314 -0.869 -3.247 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.060 -0.753 -2.920 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.485 -1.499 -4.430 1.00 0.00 H new ATOM 304 N SER A 21 5.399 -1.131 -1.503 1.00 0.00 N ATOM 305 CA SER A 21 5.464 0.281 -1.045 1.00 0.00 C ATOM 306 C SER A 21 5.946 1.206 -2.148 1.00 0.00 C ATOM 307 O SER A 21 6.833 0.869 -2.909 1.00 0.00 O ATOM 308 CB SER A 21 6.463 0.367 0.115 1.00 0.00 C ATOM 309 OG SER A 21 7.408 -0.650 -0.167 1.00 0.00 O ATOM 0 H SER A 21 6.130 -1.420 -2.153 1.00 0.00 H new ATOM 0 HA SER A 21 4.463 0.589 -0.744 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.935 1.348 0.162 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.974 0.202 1.075 1.00 0.00 H new ATOM 0 HG SER A 21 8.309 -0.327 0.044 1.00 0.00 H new ATOM 315 N TRP A 22 5.341 2.359 -2.213 1.00 0.00 N ATOM 316 CA TRP A 22 5.733 3.334 -3.244 1.00 0.00 C ATOM 317 C TRP A 22 5.667 4.739 -2.667 1.00 0.00 C ATOM 318 O TRP A 22 5.912 4.923 -1.490 1.00 0.00 O ATOM 319 CB TRP A 22 4.805 3.183 -4.481 1.00 0.00 C ATOM 320 CG TRP A 22 3.478 3.925 -4.300 1.00 0.00 C ATOM 321 CD1 TRP A 22 3.182 5.058 -4.912 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.460 3.488 -3.592 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.913 5.299 -4.543 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.381 4.347 -3.698 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.348 2.345 -2.824 1.00 0.00 C ATOM 326 CZ2 TRP A 22 0.205 4.068 -3.037 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.169 2.068 -2.163 1.00 0.00 C ATOM 328 CH2 TRP A 22 0.098 2.928 -2.270 1.00 0.00 C ATOM 0 H TRP A 22 4.591 2.660 -1.591 1.00 0.00 H new ATOM 0 HA TRP A 22 6.758 3.148 -3.565 1.00 0.00 H new ATOM 0 HB2 TRP A 22 5.315 3.565 -5.365 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.607 2.126 -4.658 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.813 5.651 -5.558 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.389 6.115 -4.860 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.185 1.667 -2.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.634 4.743 -3.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.086 1.175 -1.561 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.825 2.709 -1.753 1.00 0.00 H new ATOM 415 N VAL A 29 -3.301 14.961 -3.849 1.00 0.00 N ATOM 416 CA VAL A 29 -3.788 13.951 -4.812 1.00 0.00 C ATOM 417 C VAL A 29 -5.171 13.462 -4.412 1.00 0.00 C ATOM 418 O VAL A 29 -5.502 13.427 -3.245 1.00 0.00 O ATOM 419 CB VAL A 29 -2.822 12.760 -4.800 1.00 0.00 C ATOM 420 CG1 VAL A 29 -2.931 12.019 -6.132 1.00 0.00 C ATOM 421 CG2 VAL A 29 -1.390 13.267 -4.618 1.00 0.00 C ATOM 0 HA VAL A 29 -3.842 14.398 -5.805 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.075 12.088 -3.980 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.247 11.170 -6.133 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.952 11.663 -6.268 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.671 12.695 -6.947 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.703 12.421 -4.609 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.133 13.935 -5.440 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.312 13.807 -3.674 1.00 0.00 H new ATOM 431 N ARG A 30 -5.957 13.091 -5.383 1.00 0.00 N ATOM 432 CA ARG A 30 -7.316 12.605 -5.057 1.00 0.00 C ATOM 433 C ARG A 30 -7.267 11.167 -4.560 1.00 0.00 C ATOM 434 O ARG A 30 -7.488 10.913 -3.391 1.00 0.00 O ATOM 435 CB ARG A 30 -8.181 12.672 -6.328 1.00 0.00 C ATOM 436 CG ARG A 30 -8.526 14.142 -6.650 1.00 0.00 C ATOM 437 CD ARG A 30 -9.348 14.775 -5.505 1.00 0.00 C ATOM 438 NE ARG A 30 -10.026 13.707 -4.714 1.00 0.00 N ATOM 439 CZ ARG A 30 -11.153 13.972 -4.110 1.00 0.00 C ATOM 440 NH1 ARG A 30 -12.220 14.183 -4.831 1.00 0.00 N ATOM 441 NH2 ARG A 30 -11.175 14.015 -2.806 1.00 0.00 N ATOM 0 H ARG A 30 -5.718 13.104 -6.374 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.740 13.230 -4.271 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.648 12.222 -7.166 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.096 12.097 -6.187 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.609 14.711 -6.803 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.091 14.192 -7.581 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.695 15.360 -4.857 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.089 15.462 -5.914 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.612 12.777 -4.646 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.165 14.139 -5.849 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.109 14.391 -4.377 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.321 13.843 -2.276 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.046 14.221 -2.317 1.00 0.00 H new ATOM 455 N TYR A 31 -6.984 10.242 -5.445 1.00 0.00 N ATOM 456 CA TYR A 31 -6.926 8.824 -4.995 1.00 0.00 C ATOM 457 C TYR A 31 -5.918 8.009 -5.795 1.00 0.00 C ATOM 458 O TYR A 31 -5.509 8.387 -6.885 1.00 0.00 O ATOM 459 CB TYR A 31 -8.308 8.159 -5.166 1.00 0.00 C ATOM 460 CG TYR A 31 -9.373 9.195 -5.526 1.00 0.00 C ATOM 461 CD1 TYR A 31 -9.994 9.936 -4.541 1.00 0.00 C ATOM 462 CD2 TYR A 31 -9.767 9.365 -6.838 1.00 0.00 C ATOM 463 CE1 TYR A 31 -10.996 10.829 -4.861 1.00 0.00 C ATOM 464 CE2 TYR A 31 -10.769 10.258 -7.160 1.00 0.00 C ATOM 465 CZ TYR A 31 -11.392 10.998 -6.174 1.00 0.00 C ATOM 466 OH TYR A 31 -12.391 11.893 -6.497 1.00 0.00 O ATOM 0 H TYR A 31 -6.796 10.404 -6.434 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.622 8.839 -3.948 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.256 7.399 -5.946 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.587 7.650 -4.243 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -9.693 9.816 -3.511 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.287 8.794 -7.619 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.474 11.400 -4.079 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.068 10.379 -8.191 1.00 0.00 H new ATOM 0 HH TYR A 31 -12.539 11.883 -7.466 1.00 0.00 H new ATOM 476 N TYR A 32 -5.542 6.894 -5.220 1.00 0.00 N ATOM 477 CA TYR A 32 -4.569 5.993 -5.877 1.00 0.00 C ATOM 478 C TYR A 32 -5.214 4.640 -6.084 1.00 0.00 C ATOM 479 O TYR A 32 -5.806 4.104 -5.167 1.00 0.00 O ATOM 480 CB TYR A 32 -3.366 5.808 -4.936 1.00 0.00 C ATOM 481 CG TYR A 32 -2.182 6.640 -5.427 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.029 7.940 -5.008 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.227 6.088 -6.258 1.00 0.00 C ATOM 484 CE1 TYR A 32 -0.941 8.682 -5.404 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.135 6.833 -6.657 1.00 0.00 C ATOM 486 CZ TYR A 32 0.015 8.137 -6.229 1.00 0.00 C ATOM 487 OH TYR A 32 1.106 8.881 -6.607 1.00 0.00 O ATOM 0 H TYR A 32 -5.877 6.573 -4.312 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.255 6.415 -6.832 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.637 6.108 -3.924 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.087 4.755 -4.892 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.771 8.384 -4.361 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.335 5.068 -6.598 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.836 9.702 -5.064 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.606 6.393 -7.308 1.00 0.00 H new ATOM 0 HH TYR A 32 1.683 8.344 -7.189 1.00 0.00 H new ATOM 497 N ARG A 33 -5.096 4.106 -7.273 1.00 0.00 N ATOM 498 CA ARG A 33 -5.710 2.776 -7.537 1.00 0.00 C ATOM 499 C ARG A 33 -4.650 1.769 -7.914 1.00 0.00 C ATOM 500 O ARG A 33 -4.010 1.874 -8.944 1.00 0.00 O ATOM 501 CB ARG A 33 -6.739 2.922 -8.681 1.00 0.00 C ATOM 502 CG ARG A 33 -6.838 1.605 -9.474 1.00 0.00 C ATOM 503 CD ARG A 33 -8.121 1.617 -10.302 1.00 0.00 C ATOM 504 NE ARG A 33 -8.143 2.846 -11.140 1.00 0.00 N ATOM 505 CZ ARG A 33 -8.990 3.801 -10.857 1.00 0.00 C ATOM 506 NH1 ARG A 33 -10.263 3.521 -10.809 1.00 0.00 N ATOM 507 NH2 ARG A 33 -8.532 5.004 -10.628 1.00 0.00 N ATOM 0 H ARG A 33 -4.607 4.529 -8.062 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.208 2.420 -6.635 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.715 3.184 -8.272 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.444 3.734 -9.345 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.971 1.492 -10.125 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.838 0.754 -8.792 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.170 0.730 -10.933 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.992 1.592 -9.647 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.503 2.943 -11.928 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.583 2.570 -10.991 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.938 4.253 -10.590 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.529 5.185 -10.672 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.178 5.762 -10.406 1.00 0.00 H new ATOM 521 N ILE A 34 -4.471 0.815 -7.048 1.00 0.00 N ATOM 522 CA ILE A 34 -3.458 -0.230 -7.309 1.00 0.00 C ATOM 523 C ILE A 34 -4.107 -1.448 -7.936 1.00 0.00 C ATOM 524 O ILE A 34 -5.019 -2.021 -7.371 1.00 0.00 O ATOM 525 CB ILE A 34 -2.836 -0.635 -5.975 1.00 0.00 C ATOM 526 CG1 ILE A 34 -1.842 0.421 -5.536 1.00 0.00 C ATOM 527 CG2 ILE A 34 -2.088 -1.965 -6.166 1.00 0.00 C ATOM 528 CD1 ILE A 34 -1.747 0.419 -4.009 1.00 0.00 C ATOM 0 H ILE A 34 -4.984 0.717 -6.172 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.702 0.158 -7.991 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.617 -0.739 -5.222 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.864 0.221 -5.973 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.155 1.403 -5.891 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.638 -2.268 -5.221 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.788 -2.732 -6.497 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.307 -1.839 -6.916 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.033 1.177 -3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.726 0.639 -3.583 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.414 -0.561 -3.666 1.00 0.00 H new ATOM 540 N THR A 35 -3.624 -1.821 -9.095 1.00 0.00 N ATOM 541 CA THR A 35 -4.201 -3.006 -9.784 1.00 0.00 C ATOM 542 C THR A 35 -3.131 -4.014 -10.125 1.00 0.00 C ATOM 543 O THR A 35 -2.109 -3.671 -10.685 1.00 0.00 O ATOM 544 CB THR A 35 -4.855 -2.549 -11.096 1.00 0.00 C ATOM 545 OG1 THR A 35 -3.817 -2.572 -12.056 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.284 -1.070 -11.028 1.00 0.00 C ATOM 0 H THR A 35 -2.861 -1.357 -9.588 1.00 0.00 H new ATOM 0 HA THR A 35 -4.928 -3.468 -9.116 1.00 0.00 H new ATOM 0 HB THR A 35 -5.717 -3.180 -11.311 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.955 -2.444 -11.608 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.743 -0.780 -11.973 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.003 -0.936 -10.220 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.410 -0.446 -10.843 1.00 0.00 H new ATOM 554 N TYR A 36 -3.380 -5.248 -9.784 1.00 0.00 N ATOM 555 CA TYR A 36 -2.372 -6.287 -10.092 1.00 0.00 C ATOM 556 C TYR A 36 -3.004 -7.635 -10.378 1.00 0.00 C ATOM 557 O TYR A 36 -4.182 -7.858 -10.131 1.00 0.00 O ATOM 558 CB TYR A 36 -1.384 -6.433 -8.913 1.00 0.00 C ATOM 559 CG TYR A 36 -2.036 -6.056 -7.585 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.363 -6.329 -7.327 1.00 0.00 C ATOM 561 CD2 TYR A 36 -1.280 -5.444 -6.610 1.00 0.00 C ATOM 562 CE1 TYR A 36 -3.917 -5.993 -6.112 1.00 0.00 C ATOM 563 CE2 TYR A 36 -1.833 -5.110 -5.402 1.00 0.00 C ATOM 564 CZ TYR A 36 -3.152 -5.381 -5.142 1.00 0.00 C ATOM 565 OH TYR A 36 -3.694 -5.058 -3.929 1.00 0.00 O ATOM 0 H TYR A 36 -4.224 -5.574 -9.313 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.846 -5.964 -10.990 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.024 -7.461 -8.864 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.514 -5.799 -9.085 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.970 -6.808 -8.081 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.240 -5.225 -6.800 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.957 -6.210 -5.918 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.226 -4.630 -4.649 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.426 -4.420 -4.057 1.00 0.00 H new ATOM 575 N GLY A 37 -2.193 -8.507 -10.916 1.00 0.00 N ATOM 576 CA GLY A 37 -2.669 -9.872 -11.255 1.00 0.00 C ATOM 577 C GLY A 37 -1.698 -10.510 -12.249 1.00 0.00 C ATOM 578 O GLY A 37 -1.112 -9.828 -13.067 1.00 0.00 O ATOM 0 H GLY A 37 -1.213 -8.326 -11.135 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.738 -10.481 -10.353 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.670 -9.825 -11.685 1.00 0.00 H new ATOM 582 N GLU A 38 -1.532 -11.797 -12.160 1.00 0.00 N ATOM 583 CA GLU A 38 -0.609 -12.460 -13.091 1.00 0.00 C ATOM 584 C GLU A 38 -0.964 -12.117 -14.532 1.00 0.00 C ATOM 585 O GLU A 38 -1.998 -11.537 -14.796 1.00 0.00 O ATOM 586 CB GLU A 38 -0.725 -13.973 -12.874 1.00 0.00 C ATOM 587 CG GLU A 38 -1.801 -14.556 -13.791 1.00 0.00 C ATOM 588 CD GLU A 38 -2.195 -15.934 -13.269 1.00 0.00 C ATOM 589 OE1 GLU A 38 -1.277 -16.696 -13.011 1.00 0.00 O ATOM 590 OE2 GLU A 38 -3.389 -16.151 -13.156 1.00 0.00 O ATOM 0 H GLU A 38 -1.995 -12.407 -11.486 1.00 0.00 H new ATOM 0 HA GLU A 38 0.411 -12.122 -12.905 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.233 -14.451 -13.076 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.972 -14.181 -11.833 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.671 -13.899 -13.818 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.427 -14.632 -14.812 1.00 0.00 H new ATOM 597 N THR A 39 -0.101 -12.477 -15.441 1.00 0.00 N ATOM 598 CA THR A 39 -0.384 -12.173 -16.862 1.00 0.00 C ATOM 599 C THR A 39 -1.773 -12.639 -17.243 1.00 0.00 C ATOM 600 O THR A 39 -2.623 -11.849 -17.604 1.00 0.00 O ATOM 601 CB THR A 39 0.637 -12.910 -17.731 1.00 0.00 C ATOM 602 OG1 THR A 39 1.902 -12.479 -17.272 1.00 0.00 O ATOM 603 CG2 THR A 39 0.565 -12.416 -19.184 1.00 0.00 C ATOM 0 H THR A 39 0.777 -12.963 -15.260 1.00 0.00 H new ATOM 0 HA THR A 39 -0.320 -11.096 -17.014 1.00 0.00 H new ATOM 0 HB THR A 39 0.461 -13.985 -17.680 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.606 -12.920 -17.792 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.298 -12.951 -19.787 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.434 -12.598 -19.581 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.779 -11.348 -19.216 1.00 0.00 H new ATOM 664 N VAL A 45 -5.473 -11.556 -9.740 1.00 0.00 N ATOM 665 CA VAL A 45 -5.943 -10.869 -8.505 1.00 0.00 C ATOM 666 C VAL A 45 -7.021 -9.823 -8.828 1.00 0.00 C ATOM 667 O VAL A 45 -8.073 -10.168 -9.329 1.00 0.00 O ATOM 668 CB VAL A 45 -4.736 -10.192 -7.830 1.00 0.00 C ATOM 669 CG1 VAL A 45 -5.191 -9.533 -6.525 1.00 0.00 C ATOM 670 CG2 VAL A 45 -3.677 -11.258 -7.515 1.00 0.00 C ATOM 0 HA VAL A 45 -6.387 -11.605 -7.834 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.316 -9.437 -8.494 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.339 -9.052 -6.044 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.955 -8.786 -6.742 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.604 -10.291 -5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.818 -10.787 -7.037 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.101 -12.005 -6.845 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.359 -11.739 -8.440 1.00 0.00 H new ATOM 680 N GLN A 46 -6.738 -8.563 -8.561 1.00 0.00 N ATOM 681 CA GLN A 46 -7.765 -7.505 -8.856 1.00 0.00 C ATOM 682 C GLN A 46 -7.218 -6.099 -8.569 1.00 0.00 C ATOM 683 O GLN A 46 -6.121 -5.774 -8.973 1.00 0.00 O ATOM 684 CB GLN A 46 -9.026 -7.759 -7.982 1.00 0.00 C ATOM 685 CG GLN A 46 -8.641 -7.832 -6.501 1.00 0.00 C ATOM 686 CD GLN A 46 -9.861 -7.465 -5.652 1.00 0.00 C ATOM 687 OE1 GLN A 46 -10.559 -8.320 -5.145 1.00 0.00 O ATOM 688 NE2 GLN A 46 -10.152 -6.206 -5.474 1.00 0.00 N ATOM 0 H GLN A 46 -5.862 -8.228 -8.161 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.021 -7.559 -9.914 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.751 -6.960 -8.137 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.506 -8.689 -8.286 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.296 -8.835 -6.250 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -7.817 -7.150 -6.292 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.570 -5.483 -5.897 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.962 -5.944 -4.912 1.00 0.00 H new ATOM 697 N GLU A 47 -7.995 -5.280 -7.875 1.00 0.00 N ATOM 698 CA GLU A 47 -7.503 -3.906 -7.577 1.00 0.00 C ATOM 699 C GLU A 47 -8.416 -3.159 -6.586 1.00 0.00 C ATOM 700 O GLU A 47 -9.557 -3.525 -6.395 1.00 0.00 O ATOM 701 CB GLU A 47 -7.516 -3.121 -8.893 1.00 0.00 C ATOM 702 CG GLU A 47 -8.954 -2.688 -9.212 1.00 0.00 C ATOM 703 CD GLU A 47 -9.124 -2.576 -10.728 1.00 0.00 C ATOM 704 OE1 GLU A 47 -8.811 -1.509 -11.231 1.00 0.00 O ATOM 705 OE2 GLU A 47 -9.561 -3.563 -11.298 1.00 0.00 O ATOM 0 H GLU A 47 -8.922 -5.507 -7.516 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.510 -3.986 -7.134 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.870 -2.247 -8.815 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.122 -3.737 -9.701 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.662 -3.411 -8.808 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.171 -1.731 -8.738 1.00 0.00 H new ATOM 712 N PHE A 48 -7.880 -2.119 -5.977 1.00 0.00 N ATOM 713 CA PHE A 48 -8.694 -1.327 -5.004 1.00 0.00 C ATOM 714 C PHE A 48 -8.190 0.113 -4.952 1.00 0.00 C ATOM 715 O PHE A 48 -7.078 0.388 -5.359 1.00 0.00 O ATOM 716 CB PHE A 48 -8.627 -1.955 -3.586 1.00 0.00 C ATOM 717 CG PHE A 48 -7.198 -2.382 -3.210 1.00 0.00 C ATOM 718 CD1 PHE A 48 -6.189 -1.442 -3.020 1.00 0.00 C ATOM 719 CD2 PHE A 48 -6.913 -3.718 -2.974 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.938 -1.839 -2.603 1.00 0.00 C ATOM 721 CE2 PHE A 48 -5.663 -4.102 -2.557 1.00 0.00 C ATOM 722 CZ PHE A 48 -4.677 -3.164 -2.372 1.00 0.00 C ATOM 0 H PHE A 48 -6.924 -1.792 -6.113 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.731 -1.337 -5.340 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.995 -1.236 -2.854 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -9.287 -2.821 -3.542 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.388 -0.396 -3.201 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.681 -4.463 -3.120 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.160 -1.104 -2.458 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.454 -5.146 -2.374 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.695 -3.471 -2.044 1.00 0.00 H new ATOM 732 N THR A 49 -9.020 1.012 -4.449 1.00 0.00 N ATOM 733 CA THR A 49 -8.595 2.448 -4.370 1.00 0.00 C ATOM 734 C THR A 49 -8.445 2.928 -2.932 1.00 0.00 C ATOM 735 O THR A 49 -9.026 2.380 -2.016 1.00 0.00 O ATOM 736 CB THR A 49 -9.662 3.315 -5.057 1.00 0.00 C ATOM 737 OG1 THR A 49 -10.735 3.388 -4.141 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.250 2.604 -6.283 1.00 0.00 C ATOM 0 H THR A 49 -9.956 0.812 -4.097 1.00 0.00 H new ATOM 0 HA THR A 49 -7.625 2.534 -4.860 1.00 0.00 H new ATOM 0 HB THR A 49 -9.223 4.270 -5.347 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.454 3.934 -4.522 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.002 3.242 -6.748 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.455 2.398 -7.000 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.711 1.666 -5.973 1.00 0.00 H new ATOM 746 N VAL A 50 -7.655 3.955 -2.776 1.00 0.00 N ATOM 747 CA VAL A 50 -7.420 4.528 -1.430 1.00 0.00 C ATOM 748 C VAL A 50 -7.200 6.059 -1.565 1.00 0.00 C ATOM 749 O VAL A 50 -6.791 6.520 -2.613 1.00 0.00 O ATOM 750 CB VAL A 50 -6.136 3.883 -0.854 1.00 0.00 C ATOM 751 CG1 VAL A 50 -6.127 2.383 -1.165 1.00 0.00 C ATOM 752 CG2 VAL A 50 -4.916 4.535 -1.505 1.00 0.00 C ATOM 0 H VAL A 50 -7.159 4.423 -3.535 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.271 4.337 -0.777 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.108 4.030 0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.222 1.932 -0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.001 1.913 -0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.152 2.235 -2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.007 4.086 -1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.953 4.380 -2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.917 5.604 -1.292 1.00 0.00 H new ATOM 762 N PRO A 51 -7.487 6.834 -0.512 1.00 0.00 N ATOM 763 CA PRO A 51 -7.301 8.294 -0.571 1.00 0.00 C ATOM 764 C PRO A 51 -5.830 8.704 -0.778 1.00 0.00 C ATOM 765 O PRO A 51 -5.444 9.806 -0.440 1.00 0.00 O ATOM 766 CB PRO A 51 -7.779 8.811 0.800 1.00 0.00 C ATOM 767 CG PRO A 51 -8.147 7.570 1.665 1.00 0.00 C ATOM 768 CD PRO A 51 -8.052 6.335 0.758 1.00 0.00 C ATOM 0 HA PRO A 51 -7.851 8.708 -1.416 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.997 9.397 1.283 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.642 9.467 0.683 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.468 7.477 2.512 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.153 7.671 2.073 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.414 5.569 1.200 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.032 5.883 0.603 1.00 0.00 H new ATOM 776 N GLY A 52 -5.038 7.824 -1.327 1.00 0.00 N ATOM 777 CA GLY A 52 -3.602 8.177 -1.549 1.00 0.00 C ATOM 778 C GLY A 52 -2.964 8.681 -0.256 1.00 0.00 C ATOM 779 O GLY A 52 -1.890 9.249 -0.274 1.00 0.00 O ATOM 0 H GLY A 52 -5.314 6.890 -1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.060 7.304 -1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.526 8.943 -2.321 1.00 0.00 H new ATOM 783 N SER A 53 -3.632 8.464 0.838 1.00 0.00 N ATOM 784 CA SER A 53 -3.073 8.927 2.127 1.00 0.00 C ATOM 785 C SER A 53 -1.928 8.032 2.584 1.00 0.00 C ATOM 786 O SER A 53 -0.935 8.508 3.099 1.00 0.00 O ATOM 787 CB SER A 53 -4.188 8.880 3.178 1.00 0.00 C ATOM 788 OG SER A 53 -4.375 10.239 3.543 1.00 0.00 O ATOM 0 H SER A 53 -4.533 7.990 0.893 1.00 0.00 H new ATOM 0 HA SER A 53 -2.689 9.939 2.003 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.102 8.447 2.771 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.902 8.272 4.036 1.00 0.00 H new ATOM 0 HG SER A 53 -5.081 10.302 4.219 1.00 0.00 H new ATOM 794 N LYS A 54 -2.084 6.752 2.382 1.00 0.00 N ATOM 795 CA LYS A 54 -1.013 5.810 2.799 1.00 0.00 C ATOM 796 C LYS A 54 -0.101 5.460 1.626 1.00 0.00 C ATOM 797 O LYS A 54 -0.565 5.102 0.562 1.00 0.00 O ATOM 798 CB LYS A 54 -1.681 4.520 3.306 1.00 0.00 C ATOM 799 CG LYS A 54 -0.593 3.550 3.806 1.00 0.00 C ATOM 800 CD LYS A 54 -1.080 2.815 5.070 1.00 0.00 C ATOM 801 CE LYS A 54 -2.239 1.878 4.709 1.00 0.00 C ATOM 802 NZ LYS A 54 -3.338 2.003 5.705 1.00 0.00 N ATOM 0 H LYS A 54 -2.902 6.322 1.949 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.410 6.279 3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.379 4.750 4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.259 4.057 2.506 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.352 2.828 3.026 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.322 4.100 4.025 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.261 2.244 5.509 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.403 3.537 5.820 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.613 2.119 3.714 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.885 0.848 4.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.115 1.362 5.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.981 1.751 6.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.686 2.983 5.716 1.00 0.00 H new ATOM 816 N SER A 55 1.183 5.569 1.845 1.00 0.00 N ATOM 817 CA SER A 55 2.139 5.245 0.755 1.00 0.00 C ATOM 818 C SER A 55 2.484 3.764 0.770 1.00 0.00 C ATOM 819 O SER A 55 3.530 3.361 0.297 1.00 0.00 O ATOM 820 CB SER A 55 3.427 6.050 0.985 1.00 0.00 C ATOM 821 OG SER A 55 2.972 7.371 1.232 1.00 0.00 O ATOM 0 H SER A 55 1.605 5.866 2.725 1.00 0.00 H new ATOM 0 HA SER A 55 1.686 5.494 -0.205 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.995 5.660 1.830 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.082 6.011 0.115 1.00 0.00 H new ATOM 0 HG SER A 55 3.741 7.957 1.393 1.00 0.00 H new ATOM 827 N THR A 56 1.598 2.979 1.317 1.00 0.00 N ATOM 828 CA THR A 56 1.851 1.518 1.377 1.00 0.00 C ATOM 829 C THR A 56 0.561 0.737 1.166 1.00 0.00 C ATOM 830 O THR A 56 -0.520 1.283 1.258 1.00 0.00 O ATOM 831 CB THR A 56 2.400 1.185 2.769 1.00 0.00 C ATOM 832 OG1 THR A 56 2.447 2.417 3.458 1.00 0.00 O ATOM 833 CG2 THR A 56 3.862 0.735 2.689 1.00 0.00 C ATOM 0 H THR A 56 0.714 3.287 1.723 1.00 0.00 H new ATOM 0 HA THR A 56 2.559 1.245 0.594 1.00 0.00 H new ATOM 0 HB THR A 56 1.787 0.410 3.229 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.791 2.272 4.364 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.227 0.505 3.690 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.935 -0.154 2.063 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.465 1.534 2.257 1.00 0.00 H new ATOM 841 N ALA A 57 0.698 -0.527 0.882 1.00 0.00 N ATOM 842 CA ALA A 57 -0.510 -1.355 0.663 1.00 0.00 C ATOM 843 C ALA A 57 -0.213 -2.823 0.940 1.00 0.00 C ATOM 844 O ALA A 57 0.854 -3.317 0.609 1.00 0.00 O ATOM 845 CB ALA A 57 -0.949 -1.197 -0.797 1.00 0.00 C ATOM 0 H ALA A 57 1.589 -1.016 0.793 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.298 -1.027 1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.839 -1.801 -0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.174 -0.150 -0.998 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.147 -1.528 -1.456 1.00 0.00 H new ATOM 851 N THR A 58 -1.168 -3.497 1.545 1.00 0.00 N ATOM 852 CA THR A 58 -0.976 -4.939 1.864 1.00 0.00 C ATOM 853 C THR A 58 -1.983 -5.809 1.128 1.00 0.00 C ATOM 854 O THR A 58 -3.142 -5.465 1.019 1.00 0.00 O ATOM 855 CB THR A 58 -1.195 -5.125 3.365 1.00 0.00 C ATOM 856 OG1 THR A 58 -0.176 -4.369 3.988 1.00 0.00 O ATOM 857 CG2 THR A 58 -0.911 -6.576 3.778 1.00 0.00 C ATOM 0 H THR A 58 -2.067 -3.106 1.828 1.00 0.00 H new ATOM 0 HA THR A 58 0.028 -5.234 1.559 1.00 0.00 H new ATOM 0 HB THR A 58 -2.214 -4.845 3.630 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.261 -4.445 4.961 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.073 -6.687 4.850 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.581 -7.246 3.238 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.122 -6.827 3.539 1.00 0.00 H new ATOM 865 N ILE A 59 -1.516 -6.926 0.640 1.00 0.00 N ATOM 866 CA ILE A 59 -2.422 -7.842 -0.093 1.00 0.00 C ATOM 867 C ILE A 59 -2.090 -9.295 0.240 1.00 0.00 C ATOM 868 O ILE A 59 -0.937 -9.659 0.361 1.00 0.00 O ATOM 869 CB ILE A 59 -2.236 -7.605 -1.598 1.00 0.00 C ATOM 870 CG1 ILE A 59 -3.077 -8.608 -2.396 1.00 0.00 C ATOM 871 CG2 ILE A 59 -0.745 -7.794 -1.952 1.00 0.00 C ATOM 872 CD1 ILE A 59 -2.999 -8.260 -3.885 1.00 0.00 C ATOM 0 H ILE A 59 -0.549 -7.239 0.719 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.454 -7.647 0.198 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.557 -6.594 -1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.712 -9.621 -2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.113 -8.582 -2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.601 -7.628 -3.020 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.144 -7.080 -1.389 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.436 -8.808 -1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.596 -8.971 -4.457 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.384 -7.253 -4.044 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.962 -8.308 -4.216 1.00 0.00 H new ATOM 884 N SER A 60 -3.111 -10.097 0.386 1.00 0.00 N ATOM 885 CA SER A 60 -2.878 -11.526 0.712 1.00 0.00 C ATOM 886 C SER A 60 -3.867 -12.420 -0.019 1.00 0.00 C ATOM 887 O SER A 60 -4.750 -11.946 -0.705 1.00 0.00 O ATOM 888 CB SER A 60 -3.063 -11.717 2.225 1.00 0.00 C ATOM 889 OG SER A 60 -2.359 -12.915 2.512 1.00 0.00 O ATOM 0 H SER A 60 -4.089 -9.823 0.293 1.00 0.00 H new ATOM 0 HA SER A 60 -1.869 -11.798 0.403 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.659 -10.874 2.785 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.117 -11.801 2.490 1.00 0.00 H new ATOM 0 HG SER A 60 -1.419 -12.706 2.694 1.00 0.00 H new ATOM 895 N GLY A 61 -3.702 -13.705 0.143 1.00 0.00 N ATOM 896 CA GLY A 61 -4.625 -14.654 -0.537 1.00 0.00 C ATOM 897 C GLY A 61 -4.214 -14.834 -1.999 1.00 0.00 C ATOM 898 O GLY A 61 -5.036 -14.752 -2.889 1.00 0.00 O ATOM 0 H GLY A 61 -2.973 -14.135 0.713 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.610 -15.617 -0.026 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.648 -14.280 -0.482 1.00 0.00 H new ATOM 902 N LEU A 62 -2.940 -15.078 -2.210 1.00 0.00 N ATOM 903 CA LEU A 62 -2.439 -15.270 -3.601 1.00 0.00 C ATOM 904 C LEU A 62 -1.632 -16.562 -3.722 1.00 0.00 C ATOM 905 O LEU A 62 -1.774 -17.461 -2.913 1.00 0.00 O ATOM 906 CB LEU A 62 -1.529 -14.080 -3.951 1.00 0.00 C ATOM 907 CG LEU A 62 -0.395 -13.994 -2.925 1.00 0.00 C ATOM 908 CD1 LEU A 62 0.947 -14.185 -3.633 1.00 0.00 C ATOM 909 CD2 LEU A 62 -0.422 -12.616 -2.266 1.00 0.00 C ATOM 0 H LEU A 62 -2.232 -15.151 -1.479 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.289 -15.332 -4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.120 -14.202 -4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.105 -13.155 -3.953 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.524 -14.770 -2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.755 -14.124 -2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.968 -15.162 -4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.076 -13.406 -4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.383 -12.547 -1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.288 -11.846 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.380 -12.470 -1.767 1.00 0.00 H new ATOM 921 N LYS A 63 -0.800 -16.627 -4.737 1.00 0.00 N ATOM 922 CA LYS A 63 0.030 -17.844 -4.943 1.00 0.00 C ATOM 923 C LYS A 63 1.498 -17.461 -5.282 1.00 0.00 C ATOM 924 O LYS A 63 1.786 -17.098 -6.407 1.00 0.00 O ATOM 925 CB LYS A 63 -0.556 -18.609 -6.145 1.00 0.00 C ATOM 926 CG LYS A 63 -0.161 -20.082 -6.039 1.00 0.00 C ATOM 927 CD LYS A 63 -1.207 -20.821 -5.201 1.00 0.00 C ATOM 928 CE LYS A 63 -0.589 -22.105 -4.648 1.00 0.00 C ATOM 929 NZ LYS A 63 -1.650 -23.006 -4.116 1.00 0.00 N ATOM 0 H LYS A 63 -0.665 -15.888 -5.427 1.00 0.00 H new ATOM 0 HA LYS A 63 0.024 -18.445 -4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.641 -18.511 -6.161 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.184 -18.186 -7.078 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.093 -20.526 -7.032 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.823 -20.175 -5.580 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.550 -20.187 -4.384 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.080 -21.056 -5.811 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.031 -22.615 -5.433 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.121 -21.863 -3.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.214 -23.874 -3.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.165 -22.523 -3.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.312 -23.251 -4.880 1.00 0.00 H new ATOM 943 N PRO A 64 2.417 -17.546 -4.303 1.00 0.00 N ATOM 944 CA PRO A 64 3.814 -17.198 -4.561 1.00 0.00 C ATOM 945 C PRO A 64 4.436 -18.108 -5.619 1.00 0.00 C ATOM 946 O PRO A 64 4.013 -19.234 -5.803 1.00 0.00 O ATOM 947 CB PRO A 64 4.533 -17.401 -3.210 1.00 0.00 C ATOM 948 CG PRO A 64 3.450 -17.789 -2.158 1.00 0.00 C ATOM 949 CD PRO A 64 2.129 -17.976 -2.917 1.00 0.00 C ATOM 0 HA PRO A 64 3.901 -16.180 -4.940 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.287 -18.184 -3.291 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.050 -16.490 -2.910 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.729 -18.706 -1.639 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.352 -17.011 -1.401 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.801 -19.015 -2.887 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.332 -17.377 -2.476 1.00 0.00 H new ATOM 957 N GLY A 65 5.434 -17.599 -6.297 1.00 0.00 N ATOM 958 CA GLY A 65 6.102 -18.416 -7.349 1.00 0.00 C ATOM 959 C GLY A 65 5.401 -18.233 -8.699 1.00 0.00 C ATOM 960 O GLY A 65 5.102 -19.194 -9.379 1.00 0.00 O ATOM 0 H GLY A 65 5.811 -16.660 -6.167 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.149 -18.124 -7.434 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.087 -19.468 -7.065 1.00 0.00 H new ATOM 964 N VAL A 66 5.153 -17.002 -9.061 1.00 0.00 N ATOM 965 CA VAL A 66 4.476 -16.756 -10.358 1.00 0.00 C ATOM 966 C VAL A 66 4.661 -15.313 -10.824 1.00 0.00 C ATOM 967 O VAL A 66 4.980 -14.433 -10.041 1.00 0.00 O ATOM 968 CB VAL A 66 2.972 -17.031 -10.167 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.369 -15.961 -9.248 1.00 0.00 C ATOM 970 CG2 VAL A 66 2.270 -16.991 -11.529 1.00 0.00 C ATOM 0 H VAL A 66 5.388 -16.170 -8.520 1.00 0.00 H new ATOM 0 HA VAL A 66 4.911 -17.410 -11.114 1.00 0.00 H new ATOM 0 HB VAL A 66 2.836 -18.014 -9.716 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.305 -16.155 -9.113 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.869 -15.989 -8.280 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.504 -14.977 -9.698 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.206 -17.185 -11.396 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.406 -16.008 -11.979 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.699 -17.751 -12.182 1.00 0.00 H new ATOM 980 N ASP A 67 4.463 -15.101 -12.097 1.00 0.00 N ATOM 981 CA ASP A 67 4.614 -13.736 -12.649 1.00 0.00 C ATOM 982 C ASP A 67 3.592 -12.804 -12.022 1.00 0.00 C ATOM 983 O ASP A 67 2.543 -13.239 -11.591 1.00 0.00 O ATOM 984 CB ASP A 67 4.364 -13.798 -14.165 1.00 0.00 C ATOM 985 CG ASP A 67 5.616 -13.323 -14.902 1.00 0.00 C ATOM 986 OD1 ASP A 67 5.909 -12.147 -14.767 1.00 0.00 O ATOM 987 OD2 ASP A 67 6.207 -14.162 -15.562 1.00 0.00 O ATOM 0 H ASP A 67 4.203 -15.818 -12.774 1.00 0.00 H new ATOM 0 HA ASP A 67 5.616 -13.363 -12.435 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.117 -14.817 -14.463 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.512 -13.172 -14.431 1.00 0.00 H new ATOM 992 N TYR A 68 3.905 -11.540 -11.976 1.00 0.00 N ATOM 993 CA TYR A 68 2.949 -10.595 -11.378 1.00 0.00 C ATOM 994 C TYR A 68 3.054 -9.215 -12.010 1.00 0.00 C ATOM 995 O TYR A 68 4.079 -8.567 -11.928 1.00 0.00 O ATOM 996 CB TYR A 68 3.288 -10.481 -9.895 1.00 0.00 C ATOM 997 CG TYR A 68 2.114 -10.998 -9.068 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.938 -10.285 -9.003 1.00 0.00 C ATOM 999 CD2 TYR A 68 2.212 -12.192 -8.379 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.124 -10.754 -8.267 1.00 0.00 C ATOM 1001 CE2 TYR A 68 1.147 -12.663 -7.641 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.030 -11.948 -7.578 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.098 -12.417 -6.838 1.00 0.00 O ATOM 0 H TYR A 68 4.773 -11.133 -12.324 1.00 0.00 H new ATOM 0 HA TYR A 68 1.935 -10.961 -11.540 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.187 -11.055 -9.670 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.500 -9.443 -9.637 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.849 -9.349 -9.535 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.130 -12.760 -8.419 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.040 -10.184 -8.227 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.235 -13.598 -7.109 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.275 -13.351 -7.075 1.00 0.00 H new ATOM 1013 N THR A 69 1.984 -8.790 -12.632 1.00 0.00 N ATOM 1014 CA THR A 69 1.996 -7.455 -13.275 1.00 0.00 C ATOM 1015 C THR A 69 1.354 -6.443 -12.343 1.00 0.00 C ATOM 1016 O THR A 69 0.198 -6.587 -11.987 1.00 0.00 O ATOM 1017 CB THR A 69 1.175 -7.531 -14.569 1.00 0.00 C ATOM 1018 OG1 THR A 69 0.872 -8.900 -14.739 1.00 0.00 O ATOM 1019 CG2 THR A 69 2.040 -7.173 -15.787 1.00 0.00 C ATOM 0 H THR A 69 1.111 -9.310 -12.719 1.00 0.00 H new ATOM 0 HA THR A 69 3.021 -7.154 -13.492 1.00 0.00 H new ATOM 0 HB THR A 69 0.316 -6.863 -14.501 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.062 -9.121 -14.233 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.436 -7.234 -16.693 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.425 -6.159 -15.675 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.874 -7.871 -15.859 1.00 0.00 H new ATOM 1027 N ILE A 70 2.115 -5.438 -11.955 1.00 0.00 N ATOM 1028 CA ILE A 70 1.553 -4.405 -11.035 1.00 0.00 C ATOM 1029 C ILE A 70 1.424 -3.065 -11.723 1.00 0.00 C ATOM 1030 O ILE A 70 2.375 -2.550 -12.279 1.00 0.00 O ATOM 1031 CB ILE A 70 2.499 -4.292 -9.807 1.00 0.00 C ATOM 1032 CG1 ILE A 70 2.482 -2.883 -9.179 1.00 0.00 C ATOM 1033 CG2 ILE A 70 3.931 -4.586 -10.275 1.00 0.00 C ATOM 1034 CD1 ILE A 70 1.045 -2.478 -8.820 1.00 0.00 C ATOM 0 H ILE A 70 3.086 -5.295 -12.234 1.00 0.00 H new ATOM 0 HA ILE A 70 0.552 -4.702 -10.722 1.00 0.00 H new ATOM 0 HB ILE A 70 2.156 -5.002 -9.054 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.106 -2.868 -8.285 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.907 -2.161 -9.876 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.613 -4.512 -9.428 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.978 -5.592 -10.692 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.220 -3.863 -11.038 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.047 -1.482 -8.378 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.432 -2.473 -9.721 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.634 -3.191 -8.106 1.00 0.00 H new ATOM 1046 N THR A 71 0.231 -2.527 -11.674 1.00 0.00 N ATOM 1047 CA THR A 71 -0.018 -1.219 -12.310 1.00 0.00 C ATOM 1048 C THR A 71 -0.737 -0.296 -11.356 1.00 0.00 C ATOM 1049 O THR A 71 -1.630 -0.711 -10.646 1.00 0.00 O ATOM 1050 CB THR A 71 -0.899 -1.429 -13.546 1.00 0.00 C ATOM 1051 OG1 THR A 71 -0.122 -2.206 -14.433 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.119 -0.102 -14.285 1.00 0.00 C ATOM 0 H THR A 71 -0.578 -2.947 -11.216 1.00 0.00 H new ATOM 0 HA THR A 71 0.937 -0.773 -12.587 1.00 0.00 H new ATOM 0 HB THR A 71 -1.853 -1.867 -13.252 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.634 -2.379 -15.251 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.747 -0.272 -15.160 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.609 0.608 -13.619 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.157 0.302 -14.602 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.326 0.945 -11.353 1.00 0.00 N ATOM 1061 CA VAL A 72 -0.976 1.934 -10.443 1.00 0.00 C ATOM 1062 C VAL A 72 -1.461 3.147 -11.223 1.00 0.00 C ATOM 1063 O VAL A 72 -0.741 3.706 -12.036 1.00 0.00 O ATOM 1064 CB VAL A 72 0.053 2.392 -9.378 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.608 1.163 -8.653 1.00 0.00 C ATOM 1066 CG2 VAL A 72 1.202 3.120 -10.061 1.00 0.00 C ATOM 0 H VAL A 72 0.425 1.314 -11.936 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.834 1.461 -9.965 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.434 3.058 -8.666 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.332 1.480 -7.903 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.208 0.628 -8.167 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.095 0.505 -9.373 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.925 3.442 -9.312 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.688 2.449 -10.770 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.817 3.991 -10.591 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.690 3.510 -10.977 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.271 4.677 -11.671 1.00 0.00 C ATOM 1078 C TYR A 73 -3.247 5.879 -10.737 1.00 0.00 C ATOM 1079 O TYR A 73 -3.884 5.868 -9.702 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.732 4.354 -12.022 1.00 0.00 C ATOM 1081 CG TYR A 73 -4.800 3.493 -13.289 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -4.197 2.249 -13.330 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -5.495 3.935 -14.398 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -4.291 1.462 -14.461 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -5.587 3.146 -15.526 1.00 0.00 C ATOM 1086 CZ TYR A 73 -4.987 1.905 -15.566 1.00 0.00 C ATOM 1087 OH TYR A 73 -5.077 1.120 -16.697 1.00 0.00 O ATOM 0 H TYR A 73 -3.314 3.041 -10.320 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.700 4.899 -12.573 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.204 3.829 -11.192 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.289 5.279 -12.173 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.649 1.890 -12.471 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.970 4.905 -14.382 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.816 0.492 -14.480 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.134 3.504 -16.386 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.605 1.587 -17.378 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.519 6.896 -11.111 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.454 8.098 -10.240 1.00 0.00 C ATOM 1099 C ALA A 74 -3.451 9.142 -10.700 1.00 0.00 C ATOM 1100 O ALA A 74 -3.278 9.740 -11.744 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.038 8.688 -10.336 1.00 0.00 C ATOM 0 H ALA A 74 -1.974 6.945 -11.972 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.690 7.814 -9.215 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.969 9.573 -9.703 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.312 7.946 -10.004 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.828 8.964 -11.369 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.486 9.350 -9.907 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.507 10.359 -10.296 1.00 0.00 C ATOM 1109 C VAL A 75 -5.470 11.578 -9.397 1.00 0.00 C ATOM 1110 O VAL A 75 -5.703 11.489 -8.207 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.897 9.715 -10.201 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.965 10.802 -10.345 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -7.055 8.712 -11.342 1.00 0.00 C ATOM 0 H VAL A 75 -4.657 8.868 -9.024 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.291 10.685 -11.314 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.008 9.212 -9.240 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.955 10.351 -10.278 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.847 11.536 -9.548 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.855 11.294 -11.311 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.040 8.248 -11.285 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.952 9.228 -12.297 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.286 7.944 -11.260 1.00 0.00 H new ATOM 1123 N THR A 76 -5.163 12.696 -9.999 1.00 0.00 N ATOM 1124 CA THR A 76 -5.095 13.969 -9.244 1.00 0.00 C ATOM 1125 C THR A 76 -6.079 14.949 -9.858 1.00 0.00 C ATOM 1126 O THR A 76 -6.879 14.571 -10.690 1.00 0.00 O ATOM 1127 CB THR A 76 -3.674 14.539 -9.371 1.00 0.00 C ATOM 1128 OG1 THR A 76 -3.690 15.329 -10.543 1.00 0.00 O ATOM 1129 CG2 THR A 76 -2.664 13.422 -9.674 1.00 0.00 C ATOM 0 H THR A 76 -4.955 12.776 -10.994 1.00 0.00 H new ATOM 0 HA THR A 76 -5.338 13.803 -8.194 1.00 0.00 H new ATOM 0 HB THR A 76 -3.403 15.063 -8.454 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.805 15.726 -10.682 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.665 13.849 -9.760 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.678 12.690 -8.867 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.932 12.934 -10.611 1.00 0.00 H new ATOM 1266 N PRO A 87 -1.501 6.621 -15.868 1.00 0.00 N ATOM 1267 CA PRO A 87 -1.110 5.355 -15.244 1.00 0.00 C ATOM 1268 C PRO A 87 0.259 4.863 -15.704 1.00 0.00 C ATOM 1269 O PRO A 87 0.812 5.346 -16.672 1.00 0.00 O ATOM 1270 CB PRO A 87 -2.175 4.345 -15.712 1.00 0.00 C ATOM 1271 CG PRO A 87 -3.053 5.057 -16.785 1.00 0.00 C ATOM 1272 CD PRO A 87 -2.584 6.514 -16.864 1.00 0.00 C ATOM 0 HA PRO A 87 -1.046 5.474 -14.162 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.703 3.456 -16.131 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.787 4.016 -14.872 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -2.949 4.567 -17.753 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.107 5.007 -16.514 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -2.226 6.760 -17.864 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.398 7.203 -16.638 1.00 0.00 H new ATOM 1280 N ILE A 88 0.769 3.893 -14.987 1.00 0.00 N ATOM 1281 CA ILE A 88 2.097 3.322 -15.333 1.00 0.00 C ATOM 1282 C ILE A 88 2.161 1.869 -14.866 1.00 0.00 C ATOM 1283 O ILE A 88 1.882 1.579 -13.717 1.00 0.00 O ATOM 1284 CB ILE A 88 3.186 4.136 -14.625 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.560 3.718 -15.142 1.00 0.00 C ATOM 1286 CG2 ILE A 88 3.117 3.849 -13.115 1.00 0.00 C ATOM 1287 CD1 ILE A 88 5.639 4.563 -14.455 1.00 0.00 C ATOM 0 H ILE A 88 0.317 3.474 -14.174 1.00 0.00 H new ATOM 0 HA ILE A 88 2.249 3.361 -16.412 1.00 0.00 H new ATOM 0 HB ILE A 88 3.031 5.197 -14.819 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.729 2.660 -14.943 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.611 3.852 -16.223 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.888 4.423 -12.600 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.136 4.135 -12.735 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.278 2.785 -12.939 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.622 4.267 -14.822 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.471 5.617 -14.676 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.592 4.407 -13.377 1.00 0.00 H new ATOM 1299 N SER A 89 2.527 0.977 -15.769 1.00 0.00 N ATOM 1300 CA SER A 89 2.610 -0.468 -15.389 1.00 0.00 C ATOM 1301 C SER A 89 4.026 -1.018 -15.509 1.00 0.00 C ATOM 1302 O SER A 89 4.808 -0.568 -16.322 1.00 0.00 O ATOM 1303 CB SER A 89 1.701 -1.267 -16.344 1.00 0.00 C ATOM 1304 OG SER A 89 2.344 -1.161 -17.606 1.00 0.00 O ATOM 0 H SER A 89 2.767 1.189 -16.737 1.00 0.00 H new ATOM 0 HA SER A 89 2.299 -0.562 -14.348 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.609 -2.307 -16.030 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.693 -0.853 -16.374 1.00 0.00 H new ATOM 0 HG SER A 89 1.826 -1.649 -18.279 1.00 0.00 H new ATOM 1310 N ILE A 90 4.320 -1.997 -14.690 1.00 0.00 N ATOM 1311 CA ILE A 90 5.672 -2.611 -14.722 1.00 0.00 C ATOM 1312 C ILE A 90 5.586 -4.102 -14.384 1.00 0.00 C ATOM 1313 O ILE A 90 4.919 -4.492 -13.440 1.00 0.00 O ATOM 1314 CB ILE A 90 6.552 -1.917 -13.675 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.714 -1.536 -12.461 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.134 -0.632 -14.290 1.00 0.00 C ATOM 1317 CD1 ILE A 90 6.602 -1.548 -11.212 1.00 0.00 C ATOM 0 H ILE A 90 3.679 -2.394 -14.003 1.00 0.00 H new ATOM 0 HA ILE A 90 6.096 -2.495 -15.720 1.00 0.00 H new ATOM 0 HB ILE A 90 7.350 -2.594 -13.370 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.277 -0.547 -12.602 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.887 -2.236 -12.341 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.762 -0.129 -13.555 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.732 -0.886 -15.165 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.321 0.030 -14.586 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.007 -1.276 -10.340 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.018 -2.546 -11.071 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.414 -0.831 -11.336 1.00 0.00 H new ATOM 1329 N ASN A 91 6.251 -4.911 -15.169 1.00 0.00 N ATOM 1330 CA ASN A 91 6.222 -6.361 -14.916 1.00 0.00 C ATOM 1331 C ASN A 91 7.199 -6.745 -13.809 1.00 0.00 C ATOM 1332 O ASN A 91 8.254 -6.158 -13.675 1.00 0.00 O ATOM 1333 CB ASN A 91 6.640 -7.063 -16.212 1.00 0.00 C ATOM 1334 CG ASN A 91 8.157 -6.948 -16.387 1.00 0.00 C ATOM 1335 OD1 ASN A 91 8.770 -5.983 -15.975 1.00 0.00 O ATOM 1336 ND2 ASN A 91 8.801 -7.908 -16.997 1.00 0.00 N ATOM 0 H ASN A 91 6.809 -4.619 -15.971 1.00 0.00 H new ATOM 0 HA ASN A 91 5.221 -6.656 -14.602 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.345 -8.112 -16.182 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.130 -6.613 -17.063 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.811 -7.844 -17.124 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.294 -8.721 -17.346 1.00 0.00 H new ATOM 1343 N TYR A 92 6.828 -7.725 -13.033 1.00 0.00 N ATOM 1344 CA TYR A 92 7.722 -8.159 -11.934 1.00 0.00 C ATOM 1345 C TYR A 92 7.373 -9.566 -11.474 1.00 0.00 C ATOM 1346 O TYR A 92 6.221 -9.882 -11.249 1.00 0.00 O ATOM 1347 CB TYR A 92 7.547 -7.194 -10.748 1.00 0.00 C ATOM 1348 CG TYR A 92 8.620 -7.488 -9.694 1.00 0.00 C ATOM 1349 CD1 TYR A 92 8.492 -8.568 -8.840 1.00 0.00 C ATOM 1350 CD2 TYR A 92 9.736 -6.683 -9.588 1.00 0.00 C ATOM 1351 CE1 TYR A 92 9.465 -8.835 -7.897 1.00 0.00 C ATOM 1352 CE2 TYR A 92 10.707 -6.952 -8.646 1.00 0.00 C ATOM 1353 CZ TYR A 92 10.579 -8.028 -7.794 1.00 0.00 C ATOM 1354 OH TYR A 92 11.552 -8.293 -6.850 1.00 0.00 O ATOM 0 H TYR A 92 5.950 -8.238 -13.114 1.00 0.00 H new ATOM 0 HA TYR A 92 8.751 -8.153 -12.294 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.629 -6.162 -11.089 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.554 -7.309 -10.314 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.625 -9.208 -8.911 1.00 0.00 H new ATOM 0 HD2 TYR A 92 9.850 -5.836 -10.248 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.353 -9.681 -7.236 1.00 0.00 H new ATOM 0 HE2 TYR A 92 11.575 -6.314 -8.575 1.00 0.00 H new ATOM 0 HH TYR A 92 12.265 -7.625 -6.919 1.00 0.00 H new ATOM 1364 N ARG A 93 8.377 -10.386 -11.340 1.00 0.00 N ATOM 1365 CA ARG A 93 8.126 -11.775 -10.897 1.00 0.00 C ATOM 1366 C ARG A 93 8.211 -11.864 -9.377 1.00 0.00 C ATOM 1367 O ARG A 93 9.209 -11.494 -8.791 1.00 0.00 O ATOM 1368 CB ARG A 93 9.199 -12.688 -11.526 1.00 0.00 C ATOM 1369 CG ARG A 93 10.556 -12.426 -10.849 1.00 0.00 C ATOM 1370 CD ARG A 93 11.698 -12.873 -11.778 1.00 0.00 C ATOM 1371 NE ARG A 93 12.283 -11.674 -12.447 1.00 0.00 N ATOM 1372 CZ ARG A 93 13.579 -11.497 -12.435 1.00 0.00 C ATOM 1373 NH1 ARG A 93 14.147 -11.066 -11.342 1.00 0.00 N ATOM 1374 NH2 ARG A 93 14.263 -11.757 -13.518 1.00 0.00 N ATOM 0 H ARG A 93 9.354 -10.152 -11.518 1.00 0.00 H new ATOM 0 HA ARG A 93 7.130 -12.087 -11.210 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.917 -13.734 -11.407 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.272 -12.497 -12.597 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.658 -11.366 -10.617 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.611 -12.966 -9.904 1.00 0.00 H new ATOM 0 HD2 ARG A 93 12.465 -13.396 -11.206 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.323 -13.574 -12.524 1.00 0.00 H new ATOM 0 HE ARG A 93 11.677 -10.997 -12.910 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.582 -10.873 -10.515 1.00 0.00 H new ATOM 0 HH12 ARG A 93 15.156 -10.922 -11.314 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.785 -12.092 -14.355 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.274 -11.625 -13.527 1.00 0.00 H new ATOM 1388 N THR A 94 7.150 -12.348 -8.763 1.00 0.00 N ATOM 1389 CA THR A 94 7.149 -12.467 -7.272 1.00 0.00 C ATOM 1390 C THR A 94 6.943 -13.914 -6.849 1.00 0.00 C ATOM 1391 O THR A 94 6.681 -14.707 -7.740 1.00 0.00 O ATOM 1392 CB THR A 94 5.997 -11.619 -6.711 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.540 -10.849 -7.798 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.519 -10.580 -5.699 1.00 0.00 C ATOM 1395 OXT THR A 94 7.059 -14.152 -5.658 1.00 0.00 O ATOM 0 H THR A 94 6.297 -12.661 -9.227 1.00 0.00 H new ATOM 0 HA THR A 94 8.109 -12.120 -6.888 1.00 0.00 H new ATOM 0 HB THR A 94 5.256 -12.268 -6.245 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.797 -10.281 -7.507 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.684 -9.993 -5.317 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.011 -11.093 -4.872 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.232 -9.919 -6.191 1.00 0.00 H new