USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 500 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 SER OG : rot 14:sc= 0.594 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -60:sc= 1.02 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.0454 X(o=-0.045,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 37 CYS SG : rot 78:sc= 0.758 USER MOD Single : A 38 TYR OH : rot 150:sc= -0.151 USER MOD Single : A 39 GLN : amide:sc= -0.0982 X(o=-0.098,f=0) USER MOD Single : A 44 MET CE :methyl 175:sc= -2.01 (180deg=-2.17) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -153:sc= 0 (180deg=-0.461) USER MOD Single : A 74 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.45) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 118 N SER A 12 -10.962 18.579 -0.989 1.00 0.00 N ATOM 119 CA SER A 12 -10.141 17.715 -0.157 1.00 0.00 C ATOM 120 C SER A 12 -11.022 16.688 0.558 1.00 0.00 C ATOM 121 O SER A 12 -10.586 15.567 0.819 1.00 0.00 O ATOM 122 CB SER A 12 -9.342 18.530 0.862 1.00 0.00 C ATOM 123 OG SER A 12 -9.200 19.891 0.465 1.00 0.00 O ATOM 0 HA SER A 12 -9.432 17.192 -0.800 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.839 18.485 1.831 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.355 18.085 0.989 1.00 0.00 H new ATOM 0 HG SER A 12 -9.821 20.084 -0.268 1.00 0.00 H new ATOM 129 N THR A 13 -12.243 17.106 0.854 1.00 0.00 N ATOM 130 CA THR A 13 -13.188 16.237 1.533 1.00 0.00 C ATOM 131 C THR A 13 -13.168 14.838 0.912 1.00 0.00 C ATOM 132 O THR A 13 -12.969 13.847 1.612 1.00 0.00 O ATOM 133 CB THR A 13 -14.565 16.903 1.484 1.00 0.00 C ATOM 134 OG1 THR A 13 -14.496 17.915 2.485 1.00 0.00 O ATOM 135 CG2 THR A 13 -15.682 15.976 1.966 1.00 0.00 C ATOM 0 H THR A 13 -12.600 18.036 0.636 1.00 0.00 H new ATOM 0 HA THR A 13 -12.915 16.099 2.579 1.00 0.00 H new ATOM 0 HB THR A 13 -14.777 17.225 0.464 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.348 18.399 2.521 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.637 16.498 1.911 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.716 15.089 1.334 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.490 15.680 2.997 1.00 0.00 H new ATOM 143 N ALA A 14 -13.376 14.804 -0.396 1.00 0.00 N ATOM 144 CA ALA A 14 -13.384 13.544 -1.119 1.00 0.00 C ATOM 145 C ALA A 14 -12.231 12.669 -0.624 1.00 0.00 C ATOM 146 O ALA A 14 -12.394 11.462 -0.450 1.00 0.00 O ATOM 147 CB ALA A 14 -13.304 13.817 -2.623 1.00 0.00 C ATOM 0 H ALA A 14 -13.540 15.629 -0.974 1.00 0.00 H new ATOM 0 HA ALA A 14 -14.312 13.002 -0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.310 12.871 -3.165 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.161 14.417 -2.930 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.384 14.357 -2.846 1.00 0.00 H new ATOM 153 N ALA A 15 -11.092 13.311 -0.410 1.00 0.00 N ATOM 154 CA ALA A 15 -9.913 12.606 0.063 1.00 0.00 C ATOM 155 C ALA A 15 -10.187 12.041 1.458 1.00 0.00 C ATOM 156 O ALA A 15 -9.995 10.850 1.697 1.00 0.00 O ATOM 157 CB ALA A 15 -8.711 13.552 0.042 1.00 0.00 C ATOM 0 H ALA A 15 -10.961 14.312 -0.556 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.679 11.767 -0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.826 13.024 0.397 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.541 13.902 -0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.908 14.406 0.691 1.00 0.00 H new ATOM 163 N VAL A 16 -10.631 12.922 2.342 1.00 0.00 N ATOM 164 CA VAL A 16 -10.933 12.526 3.707 1.00 0.00 C ATOM 165 C VAL A 16 -11.808 11.271 3.687 1.00 0.00 C ATOM 166 O VAL A 16 -11.622 10.367 4.500 1.00 0.00 O ATOM 167 CB VAL A 16 -11.575 13.692 4.460 1.00 0.00 C ATOM 168 CG1 VAL A 16 -11.759 13.354 5.941 1.00 0.00 C ATOM 169 CG2 VAL A 16 -10.758 14.974 4.288 1.00 0.00 C ATOM 0 H VAL A 16 -10.789 13.909 2.140 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.018 12.275 4.244 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.562 13.864 4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.217 14.200 6.453 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.403 12.480 6.037 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.788 13.141 6.389 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.237 15.787 4.834 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.752 14.819 4.677 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.702 15.231 3.230 1.00 0.00 H new ATOM 179 N ALA A 17 -12.745 11.257 2.750 1.00 0.00 N ATOM 180 CA ALA A 17 -13.650 10.128 2.614 1.00 0.00 C ATOM 181 C ALA A 17 -12.885 8.933 2.042 1.00 0.00 C ATOM 182 O ALA A 17 -12.796 7.886 2.680 1.00 0.00 O ATOM 183 CB ALA A 17 -14.841 10.531 1.742 1.00 0.00 C ATOM 0 H ALA A 17 -12.897 12.009 2.078 1.00 0.00 H new ATOM 0 HA ALA A 17 -14.044 9.832 3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.520 9.684 1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.367 11.364 2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.485 10.832 0.757 1.00 0.00 H new ATOM 189 N VAL A 18 -12.353 9.131 0.844 1.00 0.00 N ATOM 190 CA VAL A 18 -11.599 8.082 0.179 1.00 0.00 C ATOM 191 C VAL A 18 -10.552 7.521 1.144 1.00 0.00 C ATOM 192 O VAL A 18 -10.193 6.348 1.062 1.00 0.00 O ATOM 193 CB VAL A 18 -10.990 8.618 -1.118 1.00 0.00 C ATOM 194 CG1 VAL A 18 -9.551 9.089 -0.895 1.00 0.00 C ATOM 195 CG2 VAL A 18 -11.058 7.570 -2.230 1.00 0.00 C ATOM 0 H VAL A 18 -12.429 10.001 0.318 1.00 0.00 H new ATOM 0 HA VAL A 18 -12.256 7.259 -0.101 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.579 9.479 -1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.142 9.465 -1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.540 9.884 -0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.945 8.254 -0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.618 7.977 -3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.506 6.681 -1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.099 7.304 -2.417 1.00 0.00 H new ATOM 205 N LEU A 19 -10.092 8.387 2.035 1.00 0.00 N ATOM 206 CA LEU A 19 -9.094 7.993 3.015 1.00 0.00 C ATOM 207 C LEU A 19 -9.766 7.181 4.124 1.00 0.00 C ATOM 208 O LEU A 19 -9.211 6.190 4.596 1.00 0.00 O ATOM 209 CB LEU A 19 -8.331 9.217 3.525 1.00 0.00 C ATOM 210 CG LEU A 19 -7.356 9.860 2.537 1.00 0.00 C ATOM 211 CD1 LEU A 19 -6.721 11.118 3.132 1.00 0.00 C ATOM 212 CD2 LEU A 19 -6.303 8.852 2.072 1.00 0.00 C ATOM 0 H LEU A 19 -10.392 9.360 2.099 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.345 7.347 2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.056 9.971 3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.775 8.928 4.417 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.918 10.170 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.032 11.555 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.501 11.840 3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.176 10.856 4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.622 9.334 1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.741 8.490 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.795 8.012 1.581 1.00 0.00 H new ATOM 224 N LYS A 20 -10.952 7.632 4.507 1.00 0.00 N ATOM 225 CA LYS A 20 -11.706 6.960 5.552 1.00 0.00 C ATOM 226 C LYS A 20 -12.032 5.534 5.103 1.00 0.00 C ATOM 227 O LYS A 20 -11.841 4.582 5.858 1.00 0.00 O ATOM 228 CB LYS A 20 -12.938 7.781 5.936 1.00 0.00 C ATOM 229 CG LYS A 20 -13.143 7.787 7.452 1.00 0.00 C ATOM 230 CD LYS A 20 -12.841 9.166 8.041 1.00 0.00 C ATOM 231 CE LYS A 20 -12.122 9.043 9.386 1.00 0.00 C ATOM 232 NZ LYS A 20 -13.101 8.993 10.494 1.00 0.00 N ATOM 0 H LYS A 20 -11.409 8.454 4.113 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.110 6.880 6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.824 8.804 5.577 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.821 7.368 5.448 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.170 7.505 7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.496 7.041 7.913 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.224 9.735 7.346 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.770 9.721 8.171 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.507 8.143 9.395 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.450 9.890 9.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.596 8.910 11.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.670 9.863 10.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.725 8.171 10.369 1.00 0.00 H new ATOM 246 N ARG A 21 -12.518 5.431 3.875 1.00 0.00 N ATOM 247 CA ARG A 21 -12.873 4.138 3.316 1.00 0.00 C ATOM 248 C ARG A 21 -11.642 3.232 3.252 1.00 0.00 C ATOM 249 O ARG A 21 -11.662 2.115 3.766 1.00 0.00 O ATOM 250 CB ARG A 21 -13.461 4.287 1.911 1.00 0.00 C ATOM 251 CG ARG A 21 -14.942 3.904 1.894 1.00 0.00 C ATOM 252 CD ARG A 21 -15.115 2.389 1.767 1.00 0.00 C ATOM 253 NE ARG A 21 -14.654 1.937 0.435 1.00 0.00 N ATOM 254 CZ ARG A 21 -15.070 0.812 -0.162 1.00 0.00 C ATOM 255 NH1 ARG A 21 -15.959 0.018 0.450 1.00 0.00 N ATOM 256 NH2 ARG A 21 -14.597 0.481 -1.371 1.00 0.00 N ATOM 0 H ARG A 21 -12.674 6.223 3.251 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.625 3.691 3.966 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.344 5.316 1.571 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -12.910 3.656 1.213 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -15.422 4.253 2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.440 4.402 1.062 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -14.548 1.883 2.548 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -16.162 2.121 1.909 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.977 2.518 -0.059 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.319 0.270 1.370 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.276 -0.838 -0.005 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.920 1.085 -1.837 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.914 -0.375 -1.826 1.00 0.00 H new ATOM 270 N ALA A 22 -10.600 3.747 2.617 1.00 0.00 N ATOM 271 CA ALA A 22 -9.362 2.999 2.479 1.00 0.00 C ATOM 272 C ALA A 22 -9.043 2.301 3.803 1.00 0.00 C ATOM 273 O ALA A 22 -8.930 1.077 3.852 1.00 0.00 O ATOM 274 CB ALA A 22 -8.242 3.941 2.031 1.00 0.00 C ATOM 0 H ALA A 22 -10.587 4.674 2.192 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.463 2.228 1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.314 3.379 1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.504 4.388 1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.109 4.728 2.774 1.00 0.00 H new ATOM 280 N VAL A 23 -8.906 3.110 4.843 1.00 0.00 N ATOM 281 CA VAL A 23 -8.602 2.586 6.164 1.00 0.00 C ATOM 282 C VAL A 23 -9.435 1.326 6.412 1.00 0.00 C ATOM 283 O VAL A 23 -8.891 0.272 6.737 1.00 0.00 O ATOM 284 CB VAL A 23 -8.827 3.668 7.221 1.00 0.00 C ATOM 285 CG1 VAL A 23 -9.112 3.047 8.590 1.00 0.00 C ATOM 286 CG2 VAL A 23 -7.634 4.623 7.290 1.00 0.00 C ATOM 0 H VAL A 23 -9.000 4.125 4.798 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.552 2.300 6.229 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.703 4.246 6.927 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.268 3.838 9.323 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.006 2.427 8.529 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.265 2.433 8.894 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.820 5.383 8.049 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.735 4.064 7.548 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.496 5.104 6.322 1.00 0.00 H new ATOM 296 N GLU A 24 -10.741 1.477 6.248 1.00 0.00 N ATOM 297 CA GLU A 24 -11.654 0.365 6.451 1.00 0.00 C ATOM 298 C GLU A 24 -11.197 -0.851 5.643 1.00 0.00 C ATOM 299 O GLU A 24 -10.878 -1.894 6.211 1.00 0.00 O ATOM 300 CB GLU A 24 -13.087 0.759 6.085 1.00 0.00 C ATOM 301 CG GLU A 24 -13.583 1.905 6.970 1.00 0.00 C ATOM 302 CD GLU A 24 -13.660 1.472 8.435 1.00 0.00 C ATOM 303 OE1 GLU A 24 -14.005 0.293 8.662 1.00 0.00 O ATOM 304 OE2 GLU A 24 -13.371 2.332 9.296 1.00 0.00 O ATOM 0 H GLU A 24 -11.189 2.352 5.977 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.643 0.099 7.508 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.130 1.059 5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.745 -0.103 6.197 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.913 2.759 6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.566 2.231 6.631 1.00 0.00 H new ATOM 311 N LEU A 25 -11.180 -0.676 4.329 1.00 0.00 N ATOM 312 CA LEU A 25 -10.767 -1.746 3.437 1.00 0.00 C ATOM 313 C LEU A 25 -9.487 -2.388 3.976 1.00 0.00 C ATOM 314 O LEU A 25 -9.369 -3.612 4.013 1.00 0.00 O ATOM 315 CB LEU A 25 -10.639 -1.229 2.003 1.00 0.00 C ATOM 316 CG LEU A 25 -11.951 -0.889 1.293 1.00 0.00 C ATOM 317 CD1 LEU A 25 -11.703 0.020 0.088 1.00 0.00 C ATOM 318 CD2 LEU A 25 -12.712 -2.159 0.907 1.00 0.00 C ATOM 0 H LEU A 25 -11.446 0.191 3.861 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.526 -2.528 3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.013 -0.337 2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.113 -1.980 1.413 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.582 -0.336 1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.652 0.246 -0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.236 0.947 0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.044 -0.484 -0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.640 -1.888 0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.099 -2.761 0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.940 -2.734 1.805 1.00 0.00 H new ATOM 330 N ASP A 26 -8.559 -1.532 4.380 1.00 0.00 N ATOM 331 CA ASP A 26 -7.292 -2.000 4.915 1.00 0.00 C ATOM 332 C ASP A 26 -7.556 -2.918 6.111 1.00 0.00 C ATOM 333 O ASP A 26 -6.858 -3.913 6.300 1.00 0.00 O ATOM 334 CB ASP A 26 -6.432 -0.831 5.398 1.00 0.00 C ATOM 335 CG ASP A 26 -4.998 -0.819 4.864 1.00 0.00 C ATOM 336 OD1 ASP A 26 -4.847 -1.012 3.638 1.00 0.00 O ATOM 337 OD2 ASP A 26 -4.085 -0.617 5.694 1.00 0.00 O ATOM 0 H ASP A 26 -8.660 -0.518 4.347 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.766 -2.530 4.121 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.918 0.101 5.111 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.398 -0.850 6.487 1.00 0.00 H new ATOM 342 N ALA A 27 -8.565 -2.550 6.887 1.00 0.00 N ATOM 343 CA ALA A 27 -8.929 -3.328 8.059 1.00 0.00 C ATOM 344 C ALA A 27 -9.696 -4.577 7.619 1.00 0.00 C ATOM 345 O ALA A 27 -9.706 -5.584 8.325 1.00 0.00 O ATOM 346 CB ALA A 27 -9.740 -2.455 9.019 1.00 0.00 C ATOM 0 H ALA A 27 -9.142 -1.724 6.727 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.038 -3.659 8.592 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.013 -3.038 9.898 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.141 -1.597 9.324 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.644 -2.107 8.519 1.00 0.00 H new ATOM 352 N GLU A 28 -10.319 -4.470 6.455 1.00 0.00 N ATOM 353 CA GLU A 28 -11.086 -5.579 5.912 1.00 0.00 C ATOM 354 C GLU A 28 -10.166 -6.543 5.160 1.00 0.00 C ATOM 355 O GLU A 28 -10.621 -7.558 4.636 1.00 0.00 O ATOM 356 CB GLU A 28 -12.211 -5.075 5.006 1.00 0.00 C ATOM 357 CG GLU A 28 -13.222 -4.244 5.798 1.00 0.00 C ATOM 358 CD GLU A 28 -14.494 -5.048 6.078 1.00 0.00 C ATOM 359 OE1 GLU A 28 -14.478 -5.808 7.070 1.00 0.00 O ATOM 360 OE2 GLU A 28 -15.453 -4.884 5.293 1.00 0.00 O ATOM 0 H GLU A 28 -10.309 -3.633 5.872 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.545 -6.118 6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.792 -4.473 4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.716 -5.922 4.541 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.776 -3.923 6.739 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.473 -3.342 5.240 1.00 0.00 H new ATOM 367 N SER A 29 -8.889 -6.191 5.132 1.00 0.00 N ATOM 368 CA SER A 29 -7.902 -7.013 4.453 1.00 0.00 C ATOM 369 C SER A 29 -7.964 -6.767 2.944 1.00 0.00 C ATOM 370 O SER A 29 -7.249 -7.409 2.176 1.00 0.00 O ATOM 371 CB SER A 29 -8.116 -8.497 4.758 1.00 0.00 C ATOM 372 OG SER A 29 -8.979 -9.118 3.809 1.00 0.00 O ATOM 0 H SER A 29 -8.515 -5.348 5.568 1.00 0.00 H new ATOM 0 HA SER A 29 -6.914 -6.733 4.820 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.154 -9.009 4.762 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.538 -8.605 5.757 1.00 0.00 H new ATOM 0 HG SER A 29 -9.855 -8.679 3.827 1.00 0.00 H new ATOM 378 N ARG A 30 -8.827 -5.836 2.564 1.00 0.00 N ATOM 379 CA ARG A 30 -8.993 -5.497 1.160 1.00 0.00 C ATOM 380 C ARG A 30 -7.986 -4.420 0.752 1.00 0.00 C ATOM 381 O ARG A 30 -8.374 -3.326 0.343 1.00 0.00 O ATOM 382 CB ARG A 30 -10.410 -4.995 0.879 1.00 0.00 C ATOM 383 CG ARG A 30 -11.455 -5.941 1.473 1.00 0.00 C ATOM 384 CD ARG A 30 -12.873 -5.454 1.165 1.00 0.00 C ATOM 385 NE ARG A 30 -13.611 -6.491 0.409 1.00 0.00 N ATOM 386 CZ ARG A 30 -13.941 -7.690 0.906 1.00 0.00 C ATOM 387 NH1 ARG A 30 -13.601 -8.012 2.162 1.00 0.00 N ATOM 388 NH2 ARG A 30 -14.612 -8.568 0.148 1.00 0.00 N ATOM 0 H ARG A 30 -9.419 -5.306 3.204 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.819 -6.401 0.577 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.536 -3.998 1.300 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.562 -4.909 -0.197 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.315 -6.943 1.069 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.317 -6.010 2.552 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.398 -5.226 2.093 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.832 -4.531 0.587 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.885 -6.279 -0.550 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.091 -7.344 2.740 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.853 -8.925 2.540 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.871 -8.323 -0.808 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.863 -9.481 0.527 1.00 0.00 H new ATOM 402 N TYR A 31 -6.713 -4.766 0.877 1.00 0.00 N ATOM 403 CA TYR A 31 -5.649 -3.842 0.526 1.00 0.00 C ATOM 404 C TYR A 31 -5.756 -3.412 -0.939 1.00 0.00 C ATOM 405 O TYR A 31 -5.479 -2.262 -1.274 1.00 0.00 O ATOM 406 CB TYR A 31 -4.341 -4.610 0.725 1.00 0.00 C ATOM 407 CG TYR A 31 -4.076 -5.024 2.174 1.00 0.00 C ATOM 408 CD1 TYR A 31 -4.178 -4.092 3.187 1.00 0.00 C ATOM 409 CD2 TYR A 31 -3.736 -6.329 2.468 1.00 0.00 C ATOM 410 CE1 TYR A 31 -3.929 -4.482 4.551 1.00 0.00 C ATOM 411 CE2 TYR A 31 -3.487 -6.718 3.832 1.00 0.00 C ATOM 412 CZ TYR A 31 -3.596 -5.775 4.806 1.00 0.00 C ATOM 413 OH TYR A 31 -3.361 -6.143 6.094 1.00 0.00 O ATOM 0 H TYR A 31 -6.395 -5.674 1.217 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.704 -2.943 1.140 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.357 -5.503 0.100 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.513 -3.993 0.377 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.444 -3.071 2.957 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.657 -7.058 1.675 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.005 -3.763 5.353 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.220 -7.736 4.076 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.135 -7.096 6.126 1.00 0.00 H new ATOM 423 N GLN A 32 -6.158 -4.360 -1.772 1.00 0.00 N ATOM 424 CA GLN A 32 -6.306 -4.094 -3.193 1.00 0.00 C ATOM 425 C GLN A 32 -7.292 -2.946 -3.419 1.00 0.00 C ATOM 426 O GLN A 32 -7.295 -2.326 -4.481 1.00 0.00 O ATOM 427 CB GLN A 32 -6.748 -5.352 -3.943 1.00 0.00 C ATOM 428 CG GLN A 32 -5.769 -5.692 -5.069 1.00 0.00 C ATOM 429 CD GLN A 32 -6.172 -4.999 -6.373 1.00 0.00 C ATOM 430 OE1 GLN A 32 -7.053 -5.439 -7.093 1.00 0.00 O ATOM 431 NE2 GLN A 32 -5.479 -3.894 -6.635 1.00 0.00 N ATOM 0 H GLN A 32 -6.386 -5.314 -1.490 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.335 -3.796 -3.590 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.814 -6.189 -3.248 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.745 -5.202 -4.356 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.762 -5.385 -4.786 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.743 -6.771 -5.219 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.754 -3.581 -5.989 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.672 -3.359 -7.482 1.00 0.00 H new ATOM 440 N GLN A 33 -8.104 -2.698 -2.402 1.00 0.00 N ATOM 441 CA GLN A 33 -9.093 -1.636 -2.476 1.00 0.00 C ATOM 442 C GLN A 33 -8.647 -0.437 -1.636 1.00 0.00 C ATOM 443 O GLN A 33 -8.862 0.711 -2.023 1.00 0.00 O ATOM 444 CB GLN A 33 -10.469 -2.135 -2.033 1.00 0.00 C ATOM 445 CG GLN A 33 -10.992 -3.215 -2.982 1.00 0.00 C ATOM 446 CD GLN A 33 -12.515 -3.144 -3.108 1.00 0.00 C ATOM 447 OE1 GLN A 33 -13.257 -3.569 -2.237 1.00 0.00 O ATOM 448 NE2 GLN A 33 -12.939 -2.584 -4.238 1.00 0.00 N ATOM 0 H GLN A 33 -8.097 -3.214 -1.522 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.177 -1.316 -3.515 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.406 -2.535 -1.021 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.170 -1.301 -2.004 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.536 -3.092 -3.965 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.699 -4.199 -2.615 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.264 -2.249 -4.926 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.939 -2.490 -4.417 1.00 0.00 H new ATOM 457 N ALA A 34 -8.036 -0.745 -0.501 1.00 0.00 N ATOM 458 CA ALA A 34 -7.559 0.293 0.397 1.00 0.00 C ATOM 459 C ALA A 34 -6.392 1.032 -0.259 1.00 0.00 C ATOM 460 O ALA A 34 -6.070 2.156 0.124 1.00 0.00 O ATOM 461 CB ALA A 34 -7.173 -0.332 1.739 1.00 0.00 C ATOM 0 H ALA A 34 -7.860 -1.698 -0.183 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.344 1.024 0.591 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.815 0.446 2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.044 -0.819 2.177 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.385 -1.069 1.584 1.00 0.00 H new ATOM 467 N LEU A 35 -5.789 0.371 -1.236 1.00 0.00 N ATOM 468 CA LEU A 35 -4.664 0.952 -1.949 1.00 0.00 C ATOM 469 C LEU A 35 -5.156 2.121 -2.804 1.00 0.00 C ATOM 470 O LEU A 35 -4.802 3.272 -2.552 1.00 0.00 O ATOM 471 CB LEU A 35 -3.922 -0.123 -2.746 1.00 0.00 C ATOM 472 CG LEU A 35 -2.540 0.268 -3.274 1.00 0.00 C ATOM 473 CD1 LEU A 35 -2.648 0.961 -4.634 1.00 0.00 C ATOM 474 CD2 LEU A 35 -1.784 1.122 -2.254 1.00 0.00 C ATOM 0 H LEU A 35 -6.058 -0.561 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.935 1.355 -1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.812 -1.004 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.544 -0.414 -3.593 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.961 -0.644 -3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.652 1.228 -4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.117 0.286 -5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.252 1.863 -4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.805 1.386 -2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.350 2.031 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.658 0.558 -1.330 1.00 0.00 H new ATOM 486 N VAL A 36 -5.965 1.786 -3.799 1.00 0.00 N ATOM 487 CA VAL A 36 -6.510 2.794 -4.692 1.00 0.00 C ATOM 488 C VAL A 36 -7.096 3.940 -3.865 1.00 0.00 C ATOM 489 O VAL A 36 -6.805 5.107 -4.122 1.00 0.00 O ATOM 490 CB VAL A 36 -7.530 2.158 -5.639 1.00 0.00 C ATOM 491 CG1 VAL A 36 -7.053 0.785 -6.116 1.00 0.00 C ATOM 492 CG2 VAL A 36 -8.906 2.061 -4.977 1.00 0.00 C ATOM 0 H VAL A 36 -6.256 0.831 -4.006 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.723 3.215 -5.318 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.623 2.802 -6.513 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.796 0.355 -6.788 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.105 0.892 -6.644 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.917 0.128 -5.257 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -9.612 1.606 -5.671 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.835 1.449 -4.078 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.252 3.059 -4.710 1.00 0.00 H new ATOM 502 N CYS A 37 -7.910 3.567 -2.889 1.00 0.00 N ATOM 503 CA CYS A 37 -8.539 4.549 -2.022 1.00 0.00 C ATOM 504 C CYS A 37 -7.448 5.463 -1.461 1.00 0.00 C ATOM 505 O CYS A 37 -7.474 6.674 -1.679 1.00 0.00 O ATOM 506 CB CYS A 37 -9.354 3.884 -0.911 1.00 0.00 C ATOM 507 SG CYS A 37 -10.649 2.816 -1.639 1.00 0.00 S ATOM 0 H CYS A 37 -8.149 2.598 -2.679 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.249 5.143 -2.597 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.699 3.291 -0.273 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -9.812 4.645 -0.279 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.116 1.700 -2.040 1.00 0.00 H new ATOM 513 N TYR A 38 -6.515 4.849 -0.749 1.00 0.00 N ATOM 514 CA TYR A 38 -5.417 5.592 -0.155 1.00 0.00 C ATOM 515 C TYR A 38 -4.759 6.515 -1.183 1.00 0.00 C ATOM 516 O TYR A 38 -4.383 7.641 -0.860 1.00 0.00 O ATOM 517 CB TYR A 38 -4.397 4.547 0.300 1.00 0.00 C ATOM 518 CG TYR A 38 -4.620 4.038 1.726 1.00 0.00 C ATOM 519 CD1 TYR A 38 -4.981 4.920 2.724 1.00 0.00 C ATOM 520 CD2 TYR A 38 -4.460 2.698 2.013 1.00 0.00 C ATOM 521 CE1 TYR A 38 -5.191 4.442 4.066 1.00 0.00 C ATOM 522 CE2 TYR A 38 -4.671 2.220 3.355 1.00 0.00 C ATOM 523 CZ TYR A 38 -5.026 3.115 4.315 1.00 0.00 C ATOM 524 OH TYR A 38 -5.224 2.663 5.583 1.00 0.00 O ATOM 0 H TYR A 38 -6.497 3.845 -0.570 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.775 6.213 0.667 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.429 3.701 -0.386 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.397 4.976 0.231 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.106 5.969 2.499 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.177 2.008 1.232 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.473 5.122 4.857 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.550 1.174 3.594 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.544 1.737 5.554 1.00 0.00 H new ATOM 534 N GLN A 39 -4.642 6.004 -2.399 1.00 0.00 N ATOM 535 CA GLN A 39 -4.036 6.768 -3.477 1.00 0.00 C ATOM 536 C GLN A 39 -4.985 7.876 -3.940 1.00 0.00 C ATOM 537 O GLN A 39 -4.549 8.984 -4.246 1.00 0.00 O ATOM 538 CB GLN A 39 -3.645 5.858 -4.642 1.00 0.00 C ATOM 539 CG GLN A 39 -2.787 4.687 -4.159 1.00 0.00 C ATOM 540 CD GLN A 39 -1.338 4.840 -4.623 1.00 0.00 C ATOM 541 OE1 GLN A 39 -0.989 4.562 -5.759 1.00 0.00 O ATOM 542 NE2 GLN A 39 -0.515 5.298 -3.684 1.00 0.00 N ATOM 0 H GLN A 39 -4.956 5.070 -2.662 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.124 7.231 -3.100 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.543 5.479 -5.129 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.096 6.432 -5.388 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.820 4.632 -3.071 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.197 3.751 -4.538 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.872 5.511 -2.753 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.473 5.436 -3.895 1.00 0.00 H new ATOM 551 N GLU A 40 -6.265 7.536 -3.978 1.00 0.00 N ATOM 552 CA GLU A 40 -7.279 8.488 -4.399 1.00 0.00 C ATOM 553 C GLU A 40 -7.222 9.745 -3.529 1.00 0.00 C ATOM 554 O GLU A 40 -7.320 10.861 -4.037 1.00 0.00 O ATOM 555 CB GLU A 40 -8.673 7.857 -4.360 1.00 0.00 C ATOM 556 CG GLU A 40 -8.750 6.641 -5.286 1.00 0.00 C ATOM 557 CD GLU A 40 -9.670 6.917 -6.477 1.00 0.00 C ATOM 558 OE1 GLU A 40 -9.320 7.819 -7.268 1.00 0.00 O ATOM 559 OE2 GLU A 40 -10.703 6.219 -6.569 1.00 0.00 O ATOM 0 H GLU A 40 -6.623 6.615 -3.724 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.074 8.775 -5.430 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.912 7.557 -3.340 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.418 8.594 -4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.752 6.388 -5.644 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.118 5.779 -4.730 1.00 0.00 H new ATOM 566 N GLY A 41 -7.064 9.522 -2.233 1.00 0.00 N ATOM 567 CA GLY A 41 -6.992 10.623 -1.287 1.00 0.00 C ATOM 568 C GLY A 41 -5.655 11.358 -1.401 1.00 0.00 C ATOM 569 O GLY A 41 -5.615 12.587 -1.385 1.00 0.00 O ATOM 0 H GLY A 41 -6.984 8.595 -1.815 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.810 11.319 -1.471 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.117 10.244 -0.273 1.00 0.00 H new ATOM 573 N ILE A 42 -4.593 10.574 -1.515 1.00 0.00 N ATOM 574 CA ILE A 42 -3.258 11.135 -1.632 1.00 0.00 C ATOM 575 C ILE A 42 -3.214 12.091 -2.826 1.00 0.00 C ATOM 576 O ILE A 42 -2.827 13.250 -2.684 1.00 0.00 O ATOM 577 CB ILE A 42 -2.212 10.020 -1.698 1.00 0.00 C ATOM 578 CG1 ILE A 42 -1.960 9.423 -0.312 1.00 0.00 C ATOM 579 CG2 ILE A 42 -0.921 10.517 -2.351 1.00 0.00 C ATOM 580 CD1 ILE A 42 -1.845 7.899 -0.385 1.00 0.00 C ATOM 0 H ILE A 42 -4.630 9.555 -1.529 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.011 11.720 -0.746 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.604 9.221 -2.327 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.045 9.841 0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.773 9.698 0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.195 9.705 -2.385 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.133 10.857 -3.365 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.514 11.344 -1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.666 7.499 0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.771 7.483 -0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.016 7.628 -1.039 1.00 0.00 H new ATOM 592 N ASP A 43 -3.616 11.569 -3.975 1.00 0.00 N ATOM 593 CA ASP A 43 -3.628 12.362 -5.193 1.00 0.00 C ATOM 594 C ASP A 43 -4.443 13.635 -4.960 1.00 0.00 C ATOM 595 O ASP A 43 -4.072 14.709 -5.431 1.00 0.00 O ATOM 596 CB ASP A 43 -4.274 11.591 -6.346 1.00 0.00 C ATOM 597 CG ASP A 43 -3.721 11.918 -7.734 1.00 0.00 C ATOM 598 OD1 ASP A 43 -3.076 12.983 -7.851 1.00 0.00 O ATOM 599 OD2 ASP A 43 -3.954 11.097 -8.646 1.00 0.00 O ATOM 0 H ASP A 43 -3.936 10.607 -4.089 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.596 12.599 -5.451 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.149 10.524 -6.164 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.345 11.792 -6.342 1.00 0.00 H new ATOM 604 N MET A 44 -5.539 13.474 -4.233 1.00 0.00 N ATOM 605 CA MET A 44 -6.410 14.597 -3.932 1.00 0.00 C ATOM 606 C MET A 44 -5.737 15.566 -2.958 1.00 0.00 C ATOM 607 O MET A 44 -5.771 16.779 -3.160 1.00 0.00 O ATOM 608 CB MET A 44 -7.714 14.083 -3.321 1.00 0.00 C ATOM 609 CG MET A 44 -8.677 13.602 -4.408 1.00 0.00 C ATOM 610 SD MET A 44 -10.302 13.345 -3.716 1.00 0.00 S ATOM 611 CE MET A 44 -10.199 11.607 -3.321 1.00 0.00 C ATOM 0 H MET A 44 -5.844 12.582 -3.843 1.00 0.00 H new ATOM 0 HA MET A 44 -6.619 15.130 -4.860 1.00 0.00 H new ATOM 0 HB2 MET A 44 -7.500 13.266 -2.632 1.00 0.00 H new ATOM 0 HB3 MET A 44 -8.184 14.875 -2.739 1.00 0.00 H new ATOM 0 HG2 MET A 44 -8.727 14.337 -5.212 1.00 0.00 H new ATOM 0 HG3 MET A 44 -8.309 12.675 -4.847 1.00 0.00 H new ATOM 0 HE1 MET A 44 -11.103 11.299 -2.796 1.00 0.00 H new ATOM 0 HE2 MET A 44 -10.099 11.030 -4.240 1.00 0.00 H new ATOM 0 HE3 MET A 44 -9.332 11.429 -2.685 1.00 0.00 H new ATOM 621 N LEU A 45 -5.141 14.995 -1.921 1.00 0.00 N ATOM 622 CA LEU A 45 -4.461 15.793 -0.915 1.00 0.00 C ATOM 623 C LEU A 45 -3.287 16.530 -1.563 1.00 0.00 C ATOM 624 O LEU A 45 -3.130 17.737 -1.381 1.00 0.00 O ATOM 625 CB LEU A 45 -4.059 14.923 0.277 1.00 0.00 C ATOM 626 CG LEU A 45 -5.210 14.324 1.089 1.00 0.00 C ATOM 627 CD1 LEU A 45 -4.861 12.917 1.577 1.00 0.00 C ATOM 628 CD2 LEU A 45 -5.608 15.248 2.241 1.00 0.00 C ATOM 0 H LEU A 45 -5.115 13.989 -1.756 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.132 16.552 -0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.435 14.107 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.441 15.522 0.946 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.078 14.233 0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.695 12.514 2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.665 12.273 0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.973 12.961 2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.428 14.798 2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.754 15.394 2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.927 16.211 1.842 1.00 0.00 H new ATOM 640 N LEU A 46 -2.492 15.774 -2.305 1.00 0.00 N ATOM 641 CA LEU A 46 -1.337 16.340 -2.980 1.00 0.00 C ATOM 642 C LEU A 46 -1.701 17.718 -3.535 1.00 0.00 C ATOM 643 O LEU A 46 -1.060 18.714 -3.202 1.00 0.00 O ATOM 644 CB LEU A 46 -0.808 15.371 -4.040 1.00 0.00 C ATOM 645 CG LEU A 46 0.386 14.508 -3.623 1.00 0.00 C ATOM 646 CD1 LEU A 46 0.953 13.743 -4.820 1.00 0.00 C ATOM 647 CD2 LEU A 46 1.454 15.351 -2.923 1.00 0.00 C ATOM 0 H LEU A 46 -2.625 14.774 -2.454 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.518 16.485 -2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.622 14.710 -4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.525 15.947 -4.921 1.00 0.00 H new ATOM 0 HG LEU A 46 0.038 13.767 -2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.800 13.138 -4.497 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.182 13.095 -5.236 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.282 14.450 -5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.291 14.714 -2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.805 16.129 -3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.028 15.811 -2.032 1.00 0.00 H new ATOM 659 N GLN A 47 -2.728 17.732 -4.372 1.00 0.00 N ATOM 660 CA GLN A 47 -3.185 18.972 -4.975 1.00 0.00 C ATOM 661 C GLN A 47 -3.576 19.978 -3.891 1.00 0.00 C ATOM 662 O GLN A 47 -3.321 21.174 -4.028 1.00 0.00 O ATOM 663 CB GLN A 47 -4.350 18.719 -5.934 1.00 0.00 C ATOM 664 CG GLN A 47 -3.977 17.673 -6.986 1.00 0.00 C ATOM 665 CD GLN A 47 -4.343 18.154 -8.392 1.00 0.00 C ATOM 666 OE1 GLN A 47 -3.650 18.951 -9.003 1.00 0.00 O ATOM 667 NE2 GLN A 47 -5.468 17.627 -8.868 1.00 0.00 N ATOM 0 H GLN A 47 -3.257 16.904 -4.647 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.365 19.394 -5.555 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.221 18.381 -5.373 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.630 19.651 -6.426 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.908 17.466 -6.935 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.493 16.737 -6.772 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.000 16.965 -8.303 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.798 17.885 -9.798 1.00 0.00 H new ATOM 676 N VAL A 48 -4.188 19.457 -2.838 1.00 0.00 N ATOM 677 CA VAL A 48 -4.616 20.295 -1.731 1.00 0.00 C ATOM 678 C VAL A 48 -3.390 20.934 -1.076 1.00 0.00 C ATOM 679 O VAL A 48 -3.354 22.146 -0.867 1.00 0.00 O ATOM 680 CB VAL A 48 -5.458 19.476 -0.750 1.00 0.00 C ATOM 681 CG1 VAL A 48 -5.926 20.338 0.424 1.00 0.00 C ATOM 682 CG2 VAL A 48 -6.647 18.824 -1.460 1.00 0.00 C ATOM 0 H VAL A 48 -4.398 18.465 -2.728 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.252 21.104 -2.089 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.828 18.681 -0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.522 19.731 1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.059 20.733 0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.531 21.164 0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.229 18.248 -0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.277 19.597 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.283 18.162 -2.246 1.00 0.00 H new ATOM 692 N LEU A 49 -2.415 20.091 -0.771 1.00 0.00 N ATOM 693 CA LEU A 49 -1.190 20.558 -0.144 1.00 0.00 C ATOM 694 C LEU A 49 -0.555 21.641 -1.020 1.00 0.00 C ATOM 695 O LEU A 49 -0.110 22.671 -0.515 1.00 0.00 O ATOM 696 CB LEU A 49 -0.257 19.382 0.153 1.00 0.00 C ATOM 697 CG LEU A 49 0.720 19.578 1.314 1.00 0.00 C ATOM 698 CD1 LEU A 49 1.978 18.730 1.121 1.00 0.00 C ATOM 699 CD2 LEU A 49 1.050 21.059 1.509 1.00 0.00 C ATOM 0 H LEU A 49 -2.448 19.087 -0.946 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.407 21.014 0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.867 18.503 0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.318 19.164 -0.747 1.00 0.00 H new ATOM 0 HG LEU A 49 0.237 19.233 2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.656 18.888 1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.702 17.677 1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.474 19.020 0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.746 21.170 2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.504 21.453 0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.135 21.610 1.726 1.00 0.00 H new ATOM 835 N ARG A 58 0.313 22.665 5.888 1.00 0.00 N ATOM 836 CA ARG A 58 1.221 21.908 5.044 1.00 0.00 C ATOM 837 C ARG A 58 1.875 20.780 5.845 1.00 0.00 C ATOM 838 O ARG A 58 1.961 19.648 5.373 1.00 0.00 O ATOM 839 CB ARG A 58 2.313 22.809 4.462 1.00 0.00 C ATOM 840 CG ARG A 58 1.752 23.704 3.355 1.00 0.00 C ATOM 841 CD ARG A 58 2.573 24.988 3.219 1.00 0.00 C ATOM 842 NE ARG A 58 2.601 25.424 1.805 1.00 0.00 N ATOM 843 CZ ARG A 58 3.200 24.741 0.820 1.00 0.00 C ATOM 844 NH1 ARG A 58 3.826 23.587 1.089 1.00 0.00 N ATOM 845 NH2 ARG A 58 3.175 25.213 -0.434 1.00 0.00 N ATOM 0 HA ARG A 58 0.638 21.487 4.225 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.740 23.426 5.252 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.122 22.196 4.064 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.756 23.164 2.408 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.714 23.953 3.575 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.142 25.772 3.841 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.589 24.819 3.576 1.00 0.00 H new ATOM 0 HE ARG A 58 2.135 26.299 1.565 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.847 23.228 2.044 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.282 23.067 0.339 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.700 26.092 -0.639 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.631 24.693 -1.184 1.00 0.00 H new ATOM 859 N CYS A 59 2.318 21.129 7.044 1.00 0.00 N ATOM 860 CA CYS A 59 2.960 20.160 7.915 1.00 0.00 C ATOM 861 C CYS A 59 1.992 18.996 8.137 1.00 0.00 C ATOM 862 O CYS A 59 2.355 17.836 7.945 1.00 0.00 O ATOM 863 CB CYS A 59 3.403 20.792 9.236 1.00 0.00 C ATOM 864 SG CYS A 59 4.955 20.013 9.814 1.00 0.00 S ATOM 0 H CYS A 59 2.245 22.069 7.432 1.00 0.00 H new ATOM 0 HA CYS A 59 3.869 19.790 7.441 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.552 21.864 9.104 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.623 20.669 9.987 1.00 0.00 H new ATOM 0 HG CYS A 59 5.323 20.559 10.935 1.00 0.00 H new ATOM 870 N VAL A 60 0.778 19.346 8.537 1.00 0.00 N ATOM 871 CA VAL A 60 -0.245 18.345 8.786 1.00 0.00 C ATOM 872 C VAL A 60 -0.499 17.551 7.503 1.00 0.00 C ATOM 873 O VAL A 60 -0.427 16.323 7.504 1.00 0.00 O ATOM 874 CB VAL A 60 -1.507 19.013 9.335 1.00 0.00 C ATOM 875 CG1 VAL A 60 -2.635 17.993 9.510 1.00 0.00 C ATOM 876 CG2 VAL A 60 -1.216 19.739 10.650 1.00 0.00 C ATOM 0 H VAL A 60 0.480 20.309 8.695 1.00 0.00 H new ATOM 0 HA VAL A 60 0.089 17.638 9.545 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.836 19.756 8.608 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.521 18.494 9.901 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.870 17.541 8.546 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.319 17.217 10.207 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.130 20.205 11.018 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.851 19.024 11.387 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.460 20.506 10.483 1.00 0.00 H new ATOM 886 N LEU A 61 -0.791 18.285 6.439 1.00 0.00 N ATOM 887 CA LEU A 61 -1.055 17.664 5.152 1.00 0.00 C ATOM 888 C LEU A 61 0.085 16.704 4.809 1.00 0.00 C ATOM 889 O LEU A 61 -0.133 15.502 4.663 1.00 0.00 O ATOM 890 CB LEU A 61 -1.303 18.731 4.084 1.00 0.00 C ATOM 891 CG LEU A 61 -2.623 19.498 4.195 1.00 0.00 C ATOM 892 CD1 LEU A 61 -2.591 20.769 3.344 1.00 0.00 C ATOM 893 CD2 LEU A 61 -3.810 18.600 3.841 1.00 0.00 C ATOM 0 H LEU A 61 -0.851 19.303 6.442 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.968 17.071 5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.484 19.450 4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.265 18.253 3.105 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.752 19.808 5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.541 21.295 3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.782 21.415 3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.428 20.504 2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.735 19.169 3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.701 18.239 2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.841 17.751 4.524 1.00 0.00 H new ATOM 905 N ARG A 62 1.277 17.270 4.691 1.00 0.00 N ATOM 906 CA ARG A 62 2.453 16.479 4.368 1.00 0.00 C ATOM 907 C ARG A 62 2.516 15.235 5.256 1.00 0.00 C ATOM 908 O ARG A 62 3.021 14.194 4.838 1.00 0.00 O ATOM 909 CB ARG A 62 3.734 17.295 4.553 1.00 0.00 C ATOM 910 CG ARG A 62 4.036 18.130 3.307 1.00 0.00 C ATOM 911 CD ARG A 62 5.461 18.686 3.353 1.00 0.00 C ATOM 912 NE ARG A 62 6.198 18.290 2.132 1.00 0.00 N ATOM 913 CZ ARG A 62 7.452 18.671 1.854 1.00 0.00 C ATOM 914 NH1 ARG A 62 8.117 19.460 2.710 1.00 0.00 N ATOM 915 NH2 ARG A 62 8.041 18.264 0.722 1.00 0.00 N ATOM 0 H ARG A 62 1.454 18.267 4.813 1.00 0.00 H new ATOM 0 HA ARG A 62 2.374 16.180 3.323 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.631 17.950 5.418 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.570 16.626 4.758 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.909 17.517 2.414 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.323 18.951 3.234 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.434 19.773 3.435 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.978 18.312 4.237 1.00 0.00 H new ATOM 0 HE ARG A 62 5.721 17.689 1.460 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.668 19.770 3.572 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.072 19.751 2.499 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.535 17.664 0.071 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.996 18.554 0.511 1.00 0.00 H new ATOM 929 N THR A 63 1.996 15.384 6.466 1.00 0.00 N ATOM 930 CA THR A 63 1.987 14.285 7.417 1.00 0.00 C ATOM 931 C THR A 63 0.884 13.285 7.066 1.00 0.00 C ATOM 932 O THR A 63 1.026 12.088 7.308 1.00 0.00 O ATOM 933 CB THR A 63 1.848 14.877 8.821 1.00 0.00 C ATOM 934 OG1 THR A 63 3.192 15.021 9.272 1.00 0.00 O ATOM 935 CG2 THR A 63 1.226 13.891 9.813 1.00 0.00 C ATOM 0 H THR A 63 1.578 16.249 6.809 1.00 0.00 H new ATOM 0 HA THR A 63 2.918 13.720 7.378 1.00 0.00 H new ATOM 0 HB THR A 63 1.239 15.780 8.775 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.195 15.401 10.175 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.150 14.361 10.794 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.232 13.607 9.469 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.853 13.002 9.884 1.00 0.00 H new ATOM 943 N LYS A 64 -0.192 13.814 6.502 1.00 0.00 N ATOM 944 CA LYS A 64 -1.319 12.983 6.115 1.00 0.00 C ATOM 945 C LYS A 64 -0.991 12.263 4.806 1.00 0.00 C ATOM 946 O LYS A 64 -1.014 11.034 4.746 1.00 0.00 O ATOM 947 CB LYS A 64 -2.602 13.814 6.055 1.00 0.00 C ATOM 948 CG LYS A 64 -3.455 13.598 7.307 1.00 0.00 C ATOM 949 CD LYS A 64 -4.723 14.453 7.261 1.00 0.00 C ATOM 950 CE LYS A 64 -4.949 15.170 8.594 1.00 0.00 C ATOM 951 NZ LYS A 64 -5.669 14.288 9.541 1.00 0.00 N ATOM 0 H LYS A 64 -0.307 14.808 6.304 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.500 12.214 6.866 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.351 14.870 5.960 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.175 13.541 5.169 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.725 12.545 7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.875 13.849 8.195 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.643 15.186 6.459 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.583 13.823 7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.991 15.467 9.021 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.522 16.083 8.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.814 14.789 10.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.591 14.025 9.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.108 13.429 9.710 1.00 0.00 H new ATOM 965 N ILE A 65 -0.693 13.058 3.789 1.00 0.00 N ATOM 966 CA ILE A 65 -0.361 12.512 2.484 1.00 0.00 C ATOM 967 C ILE A 65 0.647 11.373 2.655 1.00 0.00 C ATOM 968 O ILE A 65 0.340 10.218 2.363 1.00 0.00 O ATOM 969 CB ILE A 65 0.116 13.621 1.545 1.00 0.00 C ATOM 970 CG1 ILE A 65 -1.069 14.388 0.955 1.00 0.00 C ATOM 971 CG2 ILE A 65 1.035 13.060 0.457 1.00 0.00 C ATOM 972 CD1 ILE A 65 -0.728 15.868 0.773 1.00 0.00 C ATOM 0 H ILE A 65 -0.675 14.076 3.842 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.246 12.086 2.012 1.00 0.00 H new ATOM 0 HB ILE A 65 0.702 14.333 2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.346 13.954 -0.006 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.934 14.288 1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.360 13.869 -0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.906 12.596 0.920 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.494 12.316 -0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.587 16.390 0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.475 16.305 1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.122 15.965 0.098 1.00 0.00 H new ATOM 984 N SER A 66 1.831 11.739 3.125 1.00 0.00 N ATOM 985 CA SER A 66 2.886 10.764 3.338 1.00 0.00 C ATOM 986 C SER A 66 2.366 9.609 4.196 1.00 0.00 C ATOM 987 O SER A 66 2.572 8.442 3.864 1.00 0.00 O ATOM 988 CB SER A 66 4.107 11.407 3.998 1.00 0.00 C ATOM 989 OG SER A 66 5.012 10.434 4.512 1.00 0.00 O ATOM 0 H SER A 66 2.082 12.698 3.364 1.00 0.00 H new ATOM 0 HA SER A 66 3.194 10.377 2.367 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.624 12.034 3.271 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.780 12.060 4.807 1.00 0.00 H new ATOM 0 HG SER A 66 5.778 10.885 4.924 1.00 0.00 H new ATOM 995 N GLY A 67 1.701 9.973 5.282 1.00 0.00 N ATOM 996 CA GLY A 67 1.149 8.982 6.190 1.00 0.00 C ATOM 997 C GLY A 67 0.220 8.018 5.451 1.00 0.00 C ATOM 998 O GLY A 67 -0.036 6.911 5.924 1.00 0.00 O ATOM 0 H GLY A 67 1.532 10.941 5.554 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.959 8.424 6.660 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.600 9.481 6.989 1.00 0.00 H new ATOM 1002 N TYR A 68 -0.259 8.472 4.302 1.00 0.00 N ATOM 1003 CA TYR A 68 -1.154 7.663 3.492 1.00 0.00 C ATOM 1004 C TYR A 68 -0.411 7.043 2.306 1.00 0.00 C ATOM 1005 O TYR A 68 -0.954 6.189 1.607 1.00 0.00 O ATOM 1006 CB TYR A 68 -2.225 8.619 2.965 1.00 0.00 C ATOM 1007 CG TYR A 68 -3.184 9.133 4.040 1.00 0.00 C ATOM 1008 CD1 TYR A 68 -3.804 8.244 4.894 1.00 0.00 C ATOM 1009 CD2 TYR A 68 -3.430 10.486 4.156 1.00 0.00 C ATOM 1010 CE1 TYR A 68 -4.707 8.728 5.906 1.00 0.00 C ATOM 1011 CE2 TYR A 68 -4.333 10.970 5.168 1.00 0.00 C ATOM 1012 CZ TYR A 68 -4.927 10.067 5.993 1.00 0.00 C ATOM 1013 OH TYR A 68 -5.779 10.524 6.949 1.00 0.00 O ATOM 0 H TYR A 68 -0.044 9.390 3.913 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.575 6.848 4.081 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.736 9.471 2.492 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.801 8.112 2.191 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.612 7.185 4.803 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.945 11.182 3.488 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.198 8.043 6.581 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.534 12.026 5.269 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.839 11.501 6.894 1.00 0.00 H new ATOM 1023 N MET A 69 0.819 7.498 2.116 1.00 0.00 N ATOM 1024 CA MET A 69 1.641 7.000 1.027 1.00 0.00 C ATOM 1025 C MET A 69 2.406 5.743 1.449 1.00 0.00 C ATOM 1026 O MET A 69 2.546 4.805 0.665 1.00 0.00 O ATOM 1027 CB MET A 69 2.634 8.083 0.600 1.00 0.00 C ATOM 1028 CG MET A 69 1.926 9.205 -0.161 1.00 0.00 C ATOM 1029 SD MET A 69 3.065 9.990 -1.290 1.00 0.00 S ATOM 1030 CE MET A 69 2.763 9.021 -2.758 1.00 0.00 C ATOM 0 H MET A 69 1.266 8.206 2.698 1.00 0.00 H new ATOM 0 HA MET A 69 0.989 6.743 0.192 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.132 8.492 1.479 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.408 7.644 -0.029 1.00 0.00 H new ATOM 0 HG2 MET A 69 1.075 8.802 -0.711 1.00 0.00 H new ATOM 0 HG3 MET A 69 1.532 9.940 0.541 1.00 0.00 H new ATOM 0 HE1 MET A 69 3.656 9.020 -3.384 1.00 0.00 H new ATOM 0 HE2 MET A 69 2.518 7.997 -2.474 1.00 0.00 H new ATOM 0 HE3 MET A 69 1.931 9.453 -3.314 1.00 0.00 H new ATOM 1040 N ASP A 70 2.881 5.766 2.685 1.00 0.00 N ATOM 1041 CA ASP A 70 3.629 4.640 3.220 1.00 0.00 C ATOM 1042 C ASP A 70 2.748 3.389 3.191 1.00 0.00 C ATOM 1043 O ASP A 70 3.161 2.347 2.683 1.00 0.00 O ATOM 1044 CB ASP A 70 4.042 4.893 4.671 1.00 0.00 C ATOM 1045 CG ASP A 70 4.874 3.779 5.310 1.00 0.00 C ATOM 1046 OD1 ASP A 70 4.447 2.611 5.188 1.00 0.00 O ATOM 1047 OD2 ASP A 70 5.918 4.121 5.907 1.00 0.00 O ATOM 0 H ASP A 70 2.763 6.546 3.332 1.00 0.00 H new ATOM 0 HA ASP A 70 4.522 4.507 2.609 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.611 5.822 4.714 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.143 5.042 5.268 1.00 0.00 H new ATOM 1052 N ARG A 71 1.552 3.533 3.743 1.00 0.00 N ATOM 1053 CA ARG A 71 0.611 2.427 3.786 1.00 0.00 C ATOM 1054 C ARG A 71 0.310 1.930 2.371 1.00 0.00 C ATOM 1055 O ARG A 71 0.351 0.728 2.109 1.00 0.00 O ATOM 1056 CB ARG A 71 -0.698 2.844 4.461 1.00 0.00 C ATOM 1057 CG ARG A 71 -1.514 1.620 4.878 1.00 0.00 C ATOM 1058 CD ARG A 71 -0.752 0.776 5.903 1.00 0.00 C ATOM 1059 NE ARG A 71 -1.706 0.042 6.764 1.00 0.00 N ATOM 1060 CZ ARG A 71 -1.344 -0.749 7.782 1.00 0.00 C ATOM 1061 NH1 ARG A 71 -0.046 -0.914 8.074 1.00 0.00 N ATOM 1062 NH2 ARG A 71 -2.278 -1.376 8.509 1.00 0.00 N ATOM 0 H ARG A 71 1.213 4.398 4.164 1.00 0.00 H new ATOM 0 HA ARG A 71 1.068 1.626 4.367 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.481 3.456 5.336 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.283 3.460 3.778 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.466 1.940 5.301 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.742 1.015 4.001 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.096 0.072 5.391 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.117 1.417 6.514 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.702 0.145 6.570 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.666 -0.437 7.521 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.230 -1.517 8.849 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.266 -1.251 8.287 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.002 -1.978 9.284 1.00 0.00 H new ATOM 1076 N ALA A 72 0.015 2.879 1.494 1.00 0.00 N ATOM 1077 CA ALA A 72 -0.291 2.552 0.112 1.00 0.00 C ATOM 1078 C ALA A 72 0.850 1.721 -0.476 1.00 0.00 C ATOM 1079 O ALA A 72 0.618 0.653 -1.042 1.00 0.00 O ATOM 1080 CB ALA A 72 -0.540 3.840 -0.674 1.00 0.00 C ATOM 0 H ALA A 72 -0.018 3.874 1.714 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.199 1.953 0.052 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.770 3.595 -1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.379 4.378 -0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.351 4.466 -0.638 1.00 0.00 H new ATOM 1086 N GLU A 73 2.059 2.242 -0.323 1.00 0.00 N ATOM 1087 CA GLU A 73 3.237 1.561 -0.832 1.00 0.00 C ATOM 1088 C GLU A 73 3.277 0.118 -0.326 1.00 0.00 C ATOM 1089 O GLU A 73 3.161 -0.822 -1.111 1.00 0.00 O ATOM 1090 CB GLU A 73 4.513 2.312 -0.447 1.00 0.00 C ATOM 1091 CG GLU A 73 5.078 3.082 -1.643 1.00 0.00 C ATOM 1092 CD GLU A 73 6.602 3.191 -1.554 1.00 0.00 C ATOM 1093 OE1 GLU A 73 7.105 3.192 -0.410 1.00 0.00 O ATOM 1094 OE2 GLU A 73 7.229 3.271 -2.633 1.00 0.00 O ATOM 0 H GLU A 73 2.248 3.128 0.146 1.00 0.00 H new ATOM 0 HA GLU A 73 3.179 1.542 -1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.300 3.004 0.368 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.258 1.606 -0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.799 2.579 -2.569 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.640 4.079 -1.678 1.00 0.00 H new ATOM 1101 N ASN A 74 3.441 -0.013 0.982 1.00 0.00 N ATOM 1102 CA ASN A 74 3.497 -1.326 1.602 1.00 0.00 C ATOM 1103 C ASN A 74 2.470 -2.244 0.936 1.00 0.00 C ATOM 1104 O ASN A 74 2.776 -3.389 0.607 1.00 0.00 O ATOM 1105 CB ASN A 74 3.164 -1.246 3.092 1.00 0.00 C ATOM 1106 CG ASN A 74 4.407 -1.499 3.947 1.00 0.00 C ATOM 1107 OD1 ASN A 74 5.226 -2.357 3.660 1.00 0.00 O ATOM 1108 ND2 ASN A 74 4.503 -0.706 5.011 1.00 0.00 N ATOM 0 H ASN A 74 3.537 0.769 1.630 1.00 0.00 H new ATOM 0 HA ASN A 74 4.508 -1.714 1.479 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.753 -0.264 3.324 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.395 -1.979 3.336 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.298 -0.796 5.644 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.782 -0.008 5.193 1.00 0.00 H new ATOM 1115 N ILE A 75 1.272 -1.707 0.757 1.00 0.00 N ATOM 1116 CA ILE A 75 0.198 -2.463 0.136 1.00 0.00 C ATOM 1117 C ILE A 75 0.589 -2.809 -1.302 1.00 0.00 C ATOM 1118 O ILE A 75 0.728 -3.982 -1.646 1.00 0.00 O ATOM 1119 CB ILE A 75 -1.126 -1.705 0.248 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -1.685 -1.785 1.670 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -2.132 -2.200 -0.793 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -2.838 -0.798 1.862 1.00 0.00 C ATOM 0 H ILE A 75 1.022 -0.757 1.031 1.00 0.00 H new ATOM 0 HA ILE A 75 0.044 -3.406 0.661 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.936 -0.653 0.036 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.032 -2.798 1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.894 -1.570 2.388 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.064 -1.644 -0.691 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.726 -2.047 -1.793 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.324 -3.262 -0.638 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.217 -0.875 2.881 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.482 0.217 1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.637 -1.031 1.159 1.00 0.00 H new ATOM 1134 N LYS A 76 0.754 -1.768 -2.103 1.00 0.00 N ATOM 1135 CA LYS A 76 1.126 -1.947 -3.497 1.00 0.00 C ATOM 1136 C LYS A 76 2.257 -2.973 -3.590 1.00 0.00 C ATOM 1137 O LYS A 76 2.156 -3.947 -4.335 1.00 0.00 O ATOM 1138 CB LYS A 76 1.463 -0.599 -4.139 1.00 0.00 C ATOM 1139 CG LYS A 76 0.267 -0.048 -4.917 1.00 0.00 C ATOM 1140 CD LYS A 76 0.645 0.244 -6.370 1.00 0.00 C ATOM 1141 CE LYS A 76 1.256 1.640 -6.507 1.00 0.00 C ATOM 1142 NZ LYS A 76 2.291 1.651 -7.566 1.00 0.00 N ATOM 0 H LYS A 76 0.637 -0.797 -1.814 1.00 0.00 H new ATOM 0 HA LYS A 76 0.287 -2.344 -4.068 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.758 0.112 -3.367 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.315 -0.714 -4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.552 -0.766 -4.888 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.092 0.864 -4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.355 -0.504 -6.722 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.239 0.166 -7.002 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.476 2.363 -6.745 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.695 1.946 -5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.696 2.606 -7.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.043 0.975 -7.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.862 1.380 -8.474 1.00 0.00 H new ATOM 1156 N LYS A 77 3.308 -2.719 -2.824 1.00 0.00 N ATOM 1157 CA LYS A 77 4.457 -3.609 -2.812 1.00 0.00 C ATOM 1158 C LYS A 77 3.987 -5.037 -2.530 1.00 0.00 C ATOM 1159 O LYS A 77 4.567 -5.996 -3.037 1.00 0.00 O ATOM 1160 CB LYS A 77 5.515 -3.104 -1.828 1.00 0.00 C ATOM 1161 CG LYS A 77 6.449 -2.095 -2.499 1.00 0.00 C ATOM 1162 CD LYS A 77 5.793 -0.716 -2.589 1.00 0.00 C ATOM 1163 CE LYS A 77 4.822 -0.647 -3.770 1.00 0.00 C ATOM 1164 NZ LYS A 77 5.267 0.370 -4.749 1.00 0.00 N ATOM 0 H LYS A 77 3.388 -1.910 -2.208 1.00 0.00 H new ATOM 0 HA LYS A 77 4.942 -3.619 -3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.028 -2.640 -0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.095 -3.945 -1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.379 -2.023 -1.934 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.709 -2.444 -3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.260 -0.502 -1.663 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.561 0.050 -2.700 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.758 -1.622 -4.253 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.822 -0.403 -3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.597 0.404 -5.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.305 1.302 -4.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.212 0.120 -5.104 1.00 0.00 H new ATOM 1178 N TYR A 78 2.942 -5.134 -1.721 1.00 0.00 N ATOM 1179 CA TYR A 78 2.388 -6.429 -1.366 1.00 0.00 C ATOM 1180 C TYR A 78 1.382 -6.903 -2.418 1.00 0.00 C ATOM 1181 O TYR A 78 1.142 -8.101 -2.556 1.00 0.00 O ATOM 1182 CB TYR A 78 1.659 -6.225 -0.036 1.00 0.00 C ATOM 1183 CG TYR A 78 0.401 -7.083 0.122 1.00 0.00 C ATOM 1184 CD1 TYR A 78 0.509 -8.395 0.536 1.00 0.00 C ATOM 1185 CD2 TYR A 78 -0.840 -6.544 -0.150 1.00 0.00 C ATOM 1186 CE1 TYR A 78 -0.674 -9.202 0.685 1.00 0.00 C ATOM 1187 CE2 TYR A 78 -2.023 -7.351 -0.001 1.00 0.00 C ATOM 1188 CZ TYR A 78 -1.882 -8.640 0.409 1.00 0.00 C ATOM 1189 OH TYR A 78 -3.000 -9.403 0.550 1.00 0.00 O ATOM 0 H TYR A 78 2.464 -4.336 -1.301 1.00 0.00 H new ATOM 0 HA TYR A 78 3.176 -7.179 -1.300 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.345 -6.450 0.781 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.384 -5.174 0.059 1.00 0.00 H new ATOM 0 HD1 TYR A 78 1.481 -8.816 0.748 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.924 -5.517 -0.474 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.604 -10.230 1.008 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -3.000 -6.942 -0.210 1.00 0.00 H new ATOM 0 HH TYR A 78 -3.790 -8.871 0.320 1.00 0.00 H new ATOM 1199 N LEU A 79 0.823 -5.937 -3.132 1.00 0.00 N ATOM 1200 CA LEU A 79 -0.151 -6.241 -4.167 1.00 0.00 C ATOM 1201 C LEU A 79 0.581 -6.683 -5.435 1.00 0.00 C ATOM 1202 O LEU A 79 0.060 -7.485 -6.209 1.00 0.00 O ATOM 1203 CB LEU A 79 -1.092 -5.053 -4.382 1.00 0.00 C ATOM 1204 CG LEU A 79 -1.958 -4.658 -3.185 1.00 0.00 C ATOM 1205 CD1 LEU A 79 -2.804 -3.423 -3.503 1.00 0.00 C ATOM 1206 CD2 LEU A 79 -2.817 -5.835 -2.717 1.00 0.00 C ATOM 0 H LEU A 79 1.026 -4.944 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.788 -7.071 -3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.494 -4.189 -4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.749 -5.283 -5.221 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.298 -4.392 -2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.410 -3.164 -2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.149 -2.588 -3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.456 -3.637 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.423 -5.527 -1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.469 -6.155 -3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.171 -6.662 -2.423 1.00 0.00 H new