USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 617 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 7 THR OG1 : rot 180:sc= 0.222 USER MOD Single : A 15 SER OG : rot -32:sc= 1.09 USER MOD Single : A 16 SER OG : rot -110:sc= 0.938 USER MOD Single : A 19 HIS : no HD1:sc= -0.222 X(o=-0.22,f=0) USER MOD Single : A 20 ASN : amide:sc= 1.21 K(o=1.2,f=-0.044) USER MOD Single : A 21 THR OG1 : rot 92:sc= 1.27 USER MOD Single : A 23 SER OG : rot 104:sc= 1.25 USER MOD Single : A 28 LYS NZ :NH3+ 164:sc= 1.24 (180deg=1.18) USER MOD Single : A 31 SER OG : rot 180:sc= 0.276 USER MOD Single : A 33 LYS NZ :NH3+ 176:sc= -0.0599 (180deg=-0.114) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 13:sc= 1.26 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 160:sc= 0.732 (180deg=-1.6!) USER MOD Single : A 55 SER OG : rot -56:sc= 0.816 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -7:sc= 1 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 58:sc= 1.15 USER MOD Single : A 84 SER OG : rot 97:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 94 N LEU A 6 -3.124 12.560 -14.411 1.00 10.00 N ATOM 95 CA LEU A 6 -2.243 11.808 -13.522 1.00 10.00 C ATOM 96 C LEU A 6 -0.962 12.618 -13.317 1.00 10.00 C ATOM 97 O LEU A 6 -0.130 12.762 -14.210 1.00 10.00 O ATOM 98 CB LEU A 6 -1.965 10.399 -14.072 1.00 10.00 C ATOM 99 CG LEU A 6 -3.210 9.491 -14.141 1.00 10.00 C ATOM 100 CD1 LEU A 6 -2.804 8.101 -14.639 1.00 10.00 C ATOM 101 CD2 LEU A 6 -3.905 9.328 -12.785 1.00 10.00 C ATOM 0 HA LEU A 6 -2.725 11.659 -12.556 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -1.539 10.489 -15.071 1.00 10.00 H new ATOM 0 HB3 LEU A 6 -1.213 9.919 -13.446 1.00 10.00 H new ATOM 0 HG LEU A 6 -3.910 9.972 -14.824 1.00 10.00 H new ATOM 0 HD11 LEU A 6 -3.684 7.460 -14.687 1.00 10.00 H new ATOM 0 HD12 LEU A 6 -2.361 8.185 -15.632 1.00 10.00 H new ATOM 0 HD13 LEU A 6 -2.077 7.667 -13.953 1.00 10.00 H new ATOM 0 HD21 LEU A 6 -4.773 8.679 -12.897 1.00 10.00 H new ATOM 0 HD22 LEU A 6 -3.211 8.885 -12.071 1.00 10.00 H new ATOM 0 HD23 LEU A 6 -4.226 10.304 -12.421 1.00 10.00 H new ATOM 113 N THR A 7 -0.872 13.194 -12.121 1.00 10.00 N ATOM 114 CA THR A 7 0.170 14.106 -11.662 1.00 10.00 C ATOM 115 C THR A 7 0.264 13.987 -10.140 1.00 10.00 C ATOM 116 O THR A 7 -0.399 13.136 -9.545 1.00 10.00 O ATOM 117 CB THR A 7 -0.142 15.545 -12.125 1.00 10.00 C ATOM 118 OG1 THR A 7 0.996 16.355 -11.927 1.00 10.00 O ATOM 119 CG2 THR A 7 -1.314 16.221 -11.405 1.00 10.00 C ATOM 0 H THR A 7 -1.572 13.024 -11.399 1.00 10.00 H new ATOM 0 HA THR A 7 1.137 13.847 -12.092 1.00 10.00 H new ATOM 0 HB THR A 7 -0.423 15.449 -13.174 1.00 10.00 H new ATOM 0 HG1 THR A 7 0.802 17.269 -12.222 1.00 10.00 H new ATOM 0 HG21 THR A 7 -1.453 17.227 -11.801 1.00 10.00 H new ATOM 0 HG22 THR A 7 -2.222 15.640 -11.564 1.00 10.00 H new ATOM 0 HG23 THR A 7 -1.101 16.278 -10.337 1.00 10.00 H new ATOM 127 N GLU A 8 1.061 14.855 -9.516 1.00 10.00 N ATOM 128 CA GLU A 8 1.343 14.885 -8.080 1.00 10.00 C ATOM 129 C GLU A 8 0.101 14.622 -7.213 1.00 10.00 C ATOM 130 O GLU A 8 0.157 13.748 -6.360 1.00 10.00 O ATOM 131 CB GLU A 8 2.015 16.229 -7.760 1.00 10.00 C ATOM 132 CG GLU A 8 2.619 16.290 -6.354 1.00 10.00 C ATOM 133 CD GLU A 8 3.369 17.613 -6.167 1.00 10.00 C ATOM 134 OE1 GLU A 8 2.706 18.602 -5.780 1.00 10.00 O ATOM 135 OE2 GLU A 8 4.588 17.631 -6.454 1.00 10.00 O ATOM 0 H GLU A 8 1.551 15.592 -10.023 1.00 10.00 H new ATOM 0 HA GLU A 8 2.018 14.066 -7.830 1.00 10.00 H new ATOM 0 HB2 GLU A 8 2.800 16.417 -8.493 1.00 10.00 H new ATOM 0 HB3 GLU A 8 1.281 17.028 -7.867 1.00 10.00 H new ATOM 0 HG2 GLU A 8 1.831 16.199 -5.606 1.00 10.00 H new ATOM 0 HG3 GLU A 8 3.299 15.452 -6.204 1.00 10.00 H new ATOM 142 N GLY A 9 -1.037 15.278 -7.488 1.00 10.00 N ATOM 143 CA GLY A 9 -2.285 15.085 -6.740 1.00 10.00 C ATOM 144 C GLY A 9 -2.870 13.668 -6.827 1.00 10.00 C ATOM 145 O GLY A 9 -3.018 12.999 -5.805 1.00 10.00 O ATOM 0 H GLY A 9 -1.116 15.961 -8.241 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -2.106 15.326 -5.692 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -3.027 15.793 -7.108 1.00 10.00 H new ATOM 149 N ASP A 10 -3.187 13.196 -8.041 1.00 10.00 N ATOM 150 CA ASP A 10 -3.757 11.857 -8.254 1.00 10.00 C ATOM 151 C ASP A 10 -2.791 10.759 -7.780 1.00 10.00 C ATOM 152 O ASP A 10 -3.210 9.792 -7.142 1.00 10.00 O ATOM 153 CB ASP A 10 -4.088 11.636 -9.746 1.00 10.00 C ATOM 154 CG ASP A 10 -5.400 12.284 -10.211 1.00 10.00 C ATOM 155 OD1 ASP A 10 -5.573 13.496 -9.958 1.00 10.00 O ATOM 156 OD2 ASP A 10 -6.211 11.566 -10.850 1.00 10.00 O ATOM 0 H ASP A 10 -3.056 13.729 -8.901 1.00 10.00 H new ATOM 0 HA ASP A 10 -4.674 11.796 -7.667 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -3.270 12.030 -10.349 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -4.139 10.564 -9.939 1.00 10.00 H new ATOM 161 N LEU A 11 -1.496 10.908 -8.084 1.00 10.00 N ATOM 162 CA LEU A 11 -0.471 9.937 -7.713 1.00 10.00 C ATOM 163 C LEU A 11 -0.204 9.926 -6.194 1.00 10.00 C ATOM 164 O LEU A 11 -0.080 8.840 -5.623 1.00 10.00 O ATOM 165 CB LEU A 11 0.795 10.190 -8.554 1.00 10.00 C ATOM 166 CG LEU A 11 0.599 10.068 -10.085 1.00 10.00 C ATOM 167 CD1 LEU A 11 1.914 10.383 -10.804 1.00 10.00 C ATOM 168 CD2 LEU A 11 0.122 8.684 -10.541 1.00 10.00 C ATOM 0 H LEU A 11 -1.132 11.711 -8.597 1.00 10.00 H new ATOM 0 HA LEU A 11 -0.829 8.932 -7.939 1.00 10.00 H new ATOM 0 HB2 LEU A 11 1.169 11.189 -8.329 1.00 10.00 H new ATOM 0 HB3 LEU A 11 1.566 9.484 -8.244 1.00 10.00 H new ATOM 0 HG LEU A 11 -0.182 10.784 -10.342 1.00 10.00 H new ATOM 0 HD11 LEU A 11 1.770 10.296 -11.881 1.00 10.00 H new ATOM 0 HD12 LEU A 11 2.227 11.398 -10.561 1.00 10.00 H new ATOM 0 HD13 LEU A 11 2.682 9.680 -10.482 1.00 10.00 H new ATOM 0 HD21 LEU A 11 0.008 8.677 -11.625 1.00 10.00 H new ATOM 0 HD22 LEU A 11 0.855 7.932 -10.249 1.00 10.00 H new ATOM 0 HD23 LEU A 11 -0.836 8.457 -10.074 1.00 10.00 H new ATOM 180 N ASP A 12 -0.189 11.087 -5.520 1.00 10.00 N ATOM 181 CA ASP A 12 -0.132 11.160 -4.055 1.00 10.00 C ATOM 182 C ASP A 12 -1.365 10.511 -3.417 1.00 10.00 C ATOM 183 O ASP A 12 -1.195 9.676 -2.527 1.00 10.00 O ATOM 184 CB ASP A 12 0.020 12.612 -3.580 1.00 10.00 C ATOM 185 CG ASP A 12 0.107 12.712 -2.056 1.00 10.00 C ATOM 186 OD1 ASP A 12 1.201 12.418 -1.528 1.00 10.00 O ATOM 187 OD2 ASP A 12 -0.919 13.078 -1.442 1.00 10.00 O ATOM 0 H ASP A 12 -0.216 11.999 -5.976 1.00 10.00 H new ATOM 0 HA ASP A 12 0.747 10.602 -3.733 1.00 10.00 H new ATOM 0 HB2 ASP A 12 0.916 13.046 -4.023 1.00 10.00 H new ATOM 0 HB3 ASP A 12 -0.827 13.199 -3.934 1.00 10.00 H new ATOM 192 N GLU A 13 -2.581 10.800 -3.905 1.00 10.00 N ATOM 193 CA GLU A 13 -3.798 10.164 -3.387 1.00 10.00 C ATOM 194 C GLU A 13 -3.795 8.641 -3.607 1.00 10.00 C ATOM 195 O GLU A 13 -4.189 7.895 -2.714 1.00 10.00 O ATOM 196 CB GLU A 13 -5.066 10.831 -3.941 1.00 10.00 C ATOM 197 CG GLU A 13 -6.353 10.348 -3.242 1.00 10.00 C ATOM 198 CD GLU A 13 -6.410 10.707 -1.745 1.00 10.00 C ATOM 199 OE1 GLU A 13 -5.800 9.970 -0.929 1.00 10.00 O ATOM 200 OE2 GLU A 13 -7.077 11.714 -1.425 1.00 10.00 O ATOM 0 H GLU A 13 -2.746 11.469 -4.657 1.00 10.00 H new ATOM 0 HA GLU A 13 -3.805 10.318 -2.308 1.00 10.00 H new ATOM 0 HB2 GLU A 13 -4.981 11.912 -3.828 1.00 10.00 H new ATOM 0 HB3 GLU A 13 -5.140 10.627 -5.009 1.00 10.00 H new ATOM 0 HG2 GLU A 13 -7.216 10.784 -3.745 1.00 10.00 H new ATOM 0 HG3 GLU A 13 -6.433 9.266 -3.352 1.00 10.00 H new ATOM 207 N ILE A 14 -3.285 8.144 -4.743 1.00 10.00 N ATOM 208 CA ILE A 14 -3.099 6.696 -4.931 1.00 10.00 C ATOM 209 C ILE A 14 -2.056 6.156 -3.934 1.00 10.00 C ATOM 210 O ILE A 14 -2.284 5.099 -3.344 1.00 10.00 O ATOM 211 CB ILE A 14 -2.751 6.377 -6.405 1.00 10.00 C ATOM 212 CG1 ILE A 14 -4.022 6.546 -7.273 1.00 10.00 C ATOM 213 CG2 ILE A 14 -2.178 4.954 -6.572 1.00 10.00 C ATOM 214 CD1 ILE A 14 -3.779 6.483 -8.788 1.00 10.00 C ATOM 0 H ILE A 14 -2.997 8.715 -5.538 1.00 10.00 H new ATOM 0 HA ILE A 14 -4.035 6.180 -4.717 1.00 10.00 H new ATOM 0 HB ILE A 14 -1.978 7.073 -6.730 1.00 10.00 H new ATOM 0 HG12 ILE A 14 -4.737 5.769 -7.001 1.00 10.00 H new ATOM 0 HG13 ILE A 14 -4.485 7.503 -7.033 1.00 10.00 H new ATOM 0 HG21 ILE A 14 -1.949 4.775 -7.622 1.00 10.00 H new ATOM 0 HG22 ILE A 14 -1.268 4.856 -5.980 1.00 10.00 H new ATOM 0 HG23 ILE A 14 -2.912 4.224 -6.231 1.00 10.00 H new ATOM 0 HD11 ILE A 14 -4.725 6.611 -9.314 1.00 10.00 H new ATOM 0 HD12 ILE A 14 -3.091 7.277 -9.080 1.00 10.00 H new ATOM 0 HD13 ILE A 14 -3.348 5.516 -9.047 1.00 10.00 H new ATOM 226 N SER A 15 -0.963 6.884 -3.663 1.00 10.00 N ATOM 227 CA SER A 15 -0.030 6.520 -2.586 1.00 10.00 C ATOM 228 C SER A 15 -0.709 6.479 -1.204 1.00 10.00 C ATOM 229 O SER A 15 -0.454 5.563 -0.423 1.00 10.00 O ATOM 230 CB SER A 15 1.203 7.435 -2.595 1.00 10.00 C ATOM 231 OG SER A 15 1.010 8.625 -1.859 1.00 10.00 O ATOM 0 H SER A 15 -0.703 7.728 -4.174 1.00 10.00 H new ATOM 0 HA SER A 15 0.309 5.503 -2.784 1.00 10.00 H new ATOM 0 HB2 SER A 15 2.054 6.893 -2.183 1.00 10.00 H new ATOM 0 HB3 SER A 15 1.454 7.688 -3.625 1.00 10.00 H new ATOM 0 HG SER A 15 0.070 8.897 -1.918 1.00 10.00 H new ATOM 237 N SER A 16 -1.632 7.413 -0.937 1.00 10.00 N ATOM 238 CA SER A 16 -2.466 7.459 0.268 1.00 10.00 C ATOM 239 C SER A 16 -3.418 6.260 0.334 1.00 10.00 C ATOM 240 O SER A 16 -3.498 5.610 1.379 1.00 10.00 O ATOM 241 CB SER A 16 -3.209 8.810 0.318 1.00 10.00 C ATOM 242 OG SER A 16 -4.578 8.695 0.659 1.00 10.00 O ATOM 0 H SER A 16 -1.824 8.183 -1.577 1.00 10.00 H new ATOM 0 HA SER A 16 -1.833 7.386 1.152 1.00 10.00 H new ATOM 0 HB2 SER A 16 -2.717 9.459 1.043 1.00 10.00 H new ATOM 0 HB3 SER A 16 -3.126 9.297 -0.654 1.00 10.00 H new ATOM 0 HG SER A 16 -5.129 8.908 -0.123 1.00 10.00 H new ATOM 248 N PHE A 17 -4.069 5.894 -0.777 1.00 10.00 N ATOM 249 CA PHE A 17 -4.920 4.706 -0.865 1.00 10.00 C ATOM 250 C PHE A 17 -4.128 3.424 -0.570 1.00 10.00 C ATOM 251 O PHE A 17 -4.595 2.573 0.192 1.00 10.00 O ATOM 252 CB PHE A 17 -5.579 4.665 -2.253 1.00 10.00 C ATOM 253 CG PHE A 17 -6.325 3.382 -2.574 1.00 10.00 C ATOM 254 CD1 PHE A 17 -7.461 3.017 -1.825 1.00 10.00 C ATOM 255 CD2 PHE A 17 -5.879 2.545 -3.617 1.00 10.00 C ATOM 256 CE1 PHE A 17 -8.143 1.822 -2.115 1.00 10.00 C ATOM 257 CE2 PHE A 17 -6.565 1.352 -3.910 1.00 10.00 C ATOM 258 CZ PHE A 17 -7.696 0.990 -3.157 1.00 10.00 C ATOM 0 H PHE A 17 -4.018 6.422 -1.648 1.00 10.00 H new ATOM 0 HA PHE A 17 -5.700 4.764 -0.106 1.00 10.00 H new ATOM 0 HB2 PHE A 17 -6.274 5.501 -2.333 1.00 10.00 H new ATOM 0 HB3 PHE A 17 -4.808 4.818 -3.009 1.00 10.00 H new ATOM 0 HD1 PHE A 17 -7.809 3.656 -1.027 1.00 10.00 H new ATOM 0 HD2 PHE A 17 -5.008 2.820 -4.193 1.00 10.00 H new ATOM 0 HE1 PHE A 17 -9.011 1.543 -1.537 1.00 10.00 H new ATOM 0 HE2 PHE A 17 -6.223 0.715 -4.712 1.00 10.00 H new ATOM 0 HZ PHE A 17 -8.221 0.073 -3.379 1.00 10.00 H new ATOM 268 N LEU A 18 -2.907 3.308 -1.107 1.00 10.00 N ATOM 269 CA LEU A 18 -2.000 2.192 -0.827 1.00 10.00 C ATOM 270 C LEU A 18 -1.555 2.173 0.643 1.00 10.00 C ATOM 271 O LEU A 18 -1.686 1.144 1.305 1.00 10.00 O ATOM 272 CB LEU A 18 -0.793 2.279 -1.779 1.00 10.00 C ATOM 273 CG LEU A 18 -1.159 2.036 -3.256 1.00 10.00 C ATOM 274 CD1 LEU A 18 -0.004 2.458 -4.167 1.00 10.00 C ATOM 275 CD2 LEU A 18 -1.497 0.572 -3.520 1.00 10.00 C ATOM 0 H LEU A 18 -2.519 3.994 -1.754 1.00 10.00 H new ATOM 0 HA LEU A 18 -2.529 1.254 -0.999 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -0.335 3.263 -1.683 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -0.045 1.548 -1.473 1.00 10.00 H new ATOM 0 HG LEU A 18 -2.041 2.638 -3.474 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -0.277 2.280 -5.207 1.00 10.00 H new ATOM 0 HD12 LEU A 18 0.205 3.518 -4.023 1.00 10.00 H new ATOM 0 HD13 LEU A 18 0.885 1.877 -3.921 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -1.750 0.441 -4.572 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -0.637 -0.050 -3.273 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -2.346 0.278 -2.904 1.00 10.00 H new ATOM 287 N HIS A 19 -1.088 3.308 1.177 1.00 10.00 N ATOM 288 CA HIS A 19 -0.647 3.437 2.568 1.00 10.00 C ATOM 289 C HIS A 19 -1.770 3.092 3.561 1.00 10.00 C ATOM 290 O HIS A 19 -1.544 2.319 4.500 1.00 10.00 O ATOM 291 CB HIS A 19 -0.103 4.862 2.765 1.00 10.00 C ATOM 292 CG HIS A 19 0.529 5.176 4.103 1.00 10.00 C ATOM 293 ND1 HIS A 19 0.942 6.426 4.504 1.00 10.00 N ATOM 294 CD2 HIS A 19 0.859 4.310 5.114 1.00 10.00 C ATOM 295 CE1 HIS A 19 1.500 6.312 5.722 1.00 10.00 C ATOM 296 NE2 HIS A 19 1.469 5.039 6.137 1.00 10.00 N ATOM 0 H HIS A 19 -1.005 4.175 0.646 1.00 10.00 H new ATOM 0 HA HIS A 19 0.146 2.718 2.774 1.00 10.00 H new ATOM 0 HB2 HIS A 19 0.637 5.053 1.988 1.00 10.00 H new ATOM 0 HB3 HIS A 19 -0.922 5.563 2.604 1.00 10.00 H new ATOM 0 HD2 HIS A 19 0.678 3.245 5.118 1.00 10.00 H new ATOM 0 HE1 HIS A 19 1.916 7.133 6.287 1.00 10.00 H new ATOM 0 HE2 HIS A 19 1.820 4.675 7.023 1.00 10.00 H new ATOM 304 N ASN A 20 -2.992 3.591 3.329 1.00 10.00 N ATOM 305 CA ASN A 20 -4.169 3.200 4.105 1.00 10.00 C ATOM 306 C ASN A 20 -4.486 1.707 3.932 1.00 10.00 C ATOM 307 O ASN A 20 -4.699 1.032 4.932 1.00 10.00 O ATOM 308 CB ASN A 20 -5.375 4.078 3.730 1.00 10.00 C ATOM 309 CG ASN A 20 -5.296 5.466 4.353 1.00 10.00 C ATOM 310 OD1 ASN A 20 -5.674 5.678 5.493 1.00 10.00 O ATOM 311 ND2 ASN A 20 -4.805 6.451 3.632 1.00 10.00 N ATOM 0 H ASN A 20 -3.188 4.276 2.599 1.00 10.00 H new ATOM 0 HA ASN A 20 -3.948 3.359 5.160 1.00 10.00 H new ATOM 0 HB2 ASN A 20 -5.430 4.172 2.645 1.00 10.00 H new ATOM 0 HB3 ASN A 20 -6.293 3.588 4.055 1.00 10.00 H new ATOM 0 HD21 ASN A 20 -4.741 7.389 4.027 1.00 10.00 H new ATOM 0 HD22 ASN A 20 -4.488 6.276 2.678 1.00 10.00 H new ATOM 318 N THR A 21 -4.427 1.161 2.708 1.00 10.00 N ATOM 319 CA THR A 21 -4.752 -0.254 2.442 1.00 10.00 C ATOM 320 C THR A 21 -3.822 -1.205 3.204 1.00 10.00 C ATOM 321 O THR A 21 -4.302 -2.130 3.860 1.00 10.00 O ATOM 322 CB THR A 21 -4.694 -0.559 0.932 1.00 10.00 C ATOM 323 OG1 THR A 21 -5.624 0.239 0.238 1.00 10.00 O ATOM 324 CG2 THR A 21 -5.033 -2.013 0.598 1.00 10.00 C ATOM 0 H THR A 21 -4.154 1.683 1.875 1.00 10.00 H new ATOM 0 HA THR A 21 -5.769 -0.419 2.798 1.00 10.00 H new ATOM 0 HB THR A 21 -3.667 -0.351 0.632 1.00 10.00 H new ATOM 0 HG1 THR A 21 -5.190 1.068 -0.054 1.00 10.00 H new ATOM 0 HG21 THR A 21 -4.974 -2.162 -0.480 1.00 10.00 H new ATOM 0 HG22 THR A 21 -4.324 -2.675 1.095 1.00 10.00 H new ATOM 0 HG23 THR A 21 -6.043 -2.239 0.941 1.00 10.00 H new ATOM 332 N ILE A 22 -2.504 -0.963 3.173 1.00 10.00 N ATOM 333 CA ILE A 22 -1.535 -1.752 3.954 1.00 10.00 C ATOM 334 C ILE A 22 -1.781 -1.563 5.456 1.00 10.00 C ATOM 335 O ILE A 22 -1.791 -2.544 6.198 1.00 10.00 O ATOM 336 CB ILE A 22 -0.088 -1.360 3.590 1.00 10.00 C ATOM 337 CG1 ILE A 22 0.185 -1.602 2.098 1.00 10.00 C ATOM 338 CG2 ILE A 22 0.974 -2.128 4.402 1.00 10.00 C ATOM 339 CD1 ILE A 22 1.613 -1.258 1.693 1.00 10.00 C ATOM 0 H ILE A 22 -2.081 -0.223 2.613 1.00 10.00 H new ATOM 0 HA ILE A 22 -1.673 -2.805 3.708 1.00 10.00 H new ATOM 0 HB ILE A 22 -0.005 -0.301 3.833 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -0.012 -2.648 1.863 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.509 -1.006 1.505 1.00 10.00 H new ATOM 0 HG21 ILE A 22 1.969 -1.805 4.097 1.00 10.00 H new ATOM 0 HG22 ILE A 22 0.837 -1.926 5.464 1.00 10.00 H new ATOM 0 HG23 ILE A 22 0.868 -3.197 4.220 1.00 10.00 H new ATOM 0 HD11 ILE A 22 1.745 -1.450 0.628 1.00 10.00 H new ATOM 0 HD12 ILE A 22 1.806 -0.205 1.899 1.00 10.00 H new ATOM 0 HD13 ILE A 22 2.311 -1.873 2.262 1.00 10.00 H new ATOM 351 N SER A 23 -2.008 -0.321 5.901 1.00 10.00 N ATOM 352 CA SER A 23 -2.254 -0.005 7.314 1.00 10.00 C ATOM 353 C SER A 23 -3.494 -0.726 7.850 1.00 10.00 C ATOM 354 O SER A 23 -3.420 -1.376 8.891 1.00 10.00 O ATOM 355 CB SER A 23 -2.404 1.507 7.520 1.00 10.00 C ATOM 356 OG SER A 23 -1.273 2.194 7.027 1.00 10.00 O ATOM 0 H SER A 23 -2.026 0.495 5.290 1.00 10.00 H new ATOM 0 HA SER A 23 -1.387 -0.356 7.874 1.00 10.00 H new ATOM 0 HB2 SER A 23 -3.301 1.861 7.011 1.00 10.00 H new ATOM 0 HB3 SER A 23 -2.533 1.723 8.581 1.00 10.00 H new ATOM 0 HG SER A 23 -1.493 2.613 6.169 1.00 10.00 H new ATOM 362 N ASP A 24 -4.611 -0.677 7.114 1.00 10.00 N ATOM 363 CA ASP A 24 -5.839 -1.397 7.443 1.00 10.00 C ATOM 364 C ASP A 24 -5.631 -2.914 7.403 1.00 10.00 C ATOM 365 O ASP A 24 -6.135 -3.612 8.283 1.00 10.00 O ATOM 366 CB ASP A 24 -6.966 -0.997 6.473 1.00 10.00 C ATOM 367 CG ASP A 24 -7.502 0.421 6.702 1.00 10.00 C ATOM 368 OD1 ASP A 24 -7.593 0.820 7.885 1.00 10.00 O ATOM 369 OD2 ASP A 24 -7.871 1.064 5.694 1.00 10.00 O ATOM 0 H ASP A 24 -4.684 -0.125 6.259 1.00 10.00 H new ATOM 0 HA ASP A 24 -6.121 -1.123 8.460 1.00 10.00 H new ATOM 0 HB2 ASP A 24 -6.598 -1.076 5.450 1.00 10.00 H new ATOM 0 HB3 ASP A 24 -7.787 -1.707 6.572 1.00 10.00 H new ATOM 374 N PHE A 25 -4.850 -3.437 6.445 1.00 10.00 N ATOM 375 CA PHE A 25 -4.519 -4.861 6.425 1.00 10.00 C ATOM 376 C PHE A 25 -3.705 -5.273 7.658 1.00 10.00 C ATOM 377 O PHE A 25 -4.047 -6.259 8.310 1.00 10.00 O ATOM 378 CB PHE A 25 -3.809 -5.251 5.121 1.00 10.00 C ATOM 379 CG PHE A 25 -3.749 -6.756 4.925 1.00 10.00 C ATOM 380 CD1 PHE A 25 -2.766 -7.524 5.580 1.00 10.00 C ATOM 381 CD2 PHE A 25 -4.708 -7.399 4.119 1.00 10.00 C ATOM 382 CE1 PHE A 25 -2.759 -8.922 5.448 1.00 10.00 C ATOM 383 CE2 PHE A 25 -4.703 -8.799 3.990 1.00 10.00 C ATOM 384 CZ PHE A 25 -3.733 -9.562 4.664 1.00 10.00 C ATOM 0 H PHE A 25 -4.441 -2.897 5.682 1.00 10.00 H new ATOM 0 HA PHE A 25 -5.458 -5.413 6.464 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -4.329 -4.797 4.277 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.797 -4.847 5.126 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.016 -7.036 6.185 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -5.451 -6.814 3.597 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -2.003 -9.507 5.951 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -5.443 -9.288 3.374 1.00 10.00 H new ATOM 0 HZ PHE A 25 -3.737 -10.639 4.579 1.00 10.00 H new ATOM 394 N ILE A 26 -2.683 -4.495 8.035 1.00 10.00 N ATOM 395 CA ILE A 26 -1.895 -4.727 9.237 1.00 10.00 C ATOM 396 C ILE A 26 -2.814 -4.673 10.465 1.00 10.00 C ATOM 397 O ILE A 26 -2.835 -5.633 11.230 1.00 10.00 O ATOM 398 CB ILE A 26 -0.727 -3.713 9.259 1.00 10.00 C ATOM 399 CG1 ILE A 26 0.341 -4.141 8.222 1.00 10.00 C ATOM 400 CG2 ILE A 26 -0.109 -3.592 10.654 1.00 10.00 C ATOM 401 CD1 ILE A 26 1.445 -3.102 7.991 1.00 10.00 C ATOM 0 H ILE A 26 -2.382 -3.679 7.503 1.00 10.00 H new ATOM 0 HA ILE A 26 -1.445 -5.720 9.250 1.00 10.00 H new ATOM 0 HB ILE A 26 -1.117 -2.730 8.996 1.00 10.00 H new ATOM 0 HG12 ILE A 26 0.799 -5.074 8.552 1.00 10.00 H new ATOM 0 HG13 ILE A 26 -0.153 -4.347 7.272 1.00 10.00 H new ATOM 0 HG21 ILE A 26 0.708 -2.871 10.629 1.00 10.00 H new ATOM 0 HG22 ILE A 26 -0.868 -3.256 11.360 1.00 10.00 H new ATOM 0 HG23 ILE A 26 0.274 -4.563 10.968 1.00 10.00 H new ATOM 0 HD11 ILE A 26 2.151 -3.480 7.252 1.00 10.00 H new ATOM 0 HD12 ILE A 26 1.002 -2.174 7.629 1.00 10.00 H new ATOM 0 HD13 ILE A 26 1.968 -2.912 8.928 1.00 10.00 H new ATOM 413 N LEU A 27 -3.654 -3.638 10.606 1.00 10.00 N ATOM 414 CA LEU A 27 -4.616 -3.537 11.709 1.00 10.00 C ATOM 415 C LEU A 27 -5.668 -4.661 11.719 1.00 10.00 C ATOM 416 O LEU A 27 -6.116 -5.038 12.801 1.00 10.00 O ATOM 417 CB LEU A 27 -5.281 -2.143 11.710 1.00 10.00 C ATOM 418 CG LEU A 27 -4.611 -1.084 12.613 1.00 10.00 C ATOM 419 CD1 LEU A 27 -4.787 -1.415 14.100 1.00 10.00 C ATOM 420 CD2 LEU A 27 -3.119 -0.878 12.334 1.00 10.00 C ATOM 0 H LEU A 27 -3.685 -2.850 9.959 1.00 10.00 H new ATOM 0 HA LEU A 27 -4.049 -3.665 12.631 1.00 10.00 H new ATOM 0 HB2 LEU A 27 -5.295 -1.766 10.687 1.00 10.00 H new ATOM 0 HB3 LEU A 27 -6.319 -2.256 12.022 1.00 10.00 H new ATOM 0 HG LEU A 27 -5.126 -0.155 12.367 1.00 10.00 H new ATOM 0 HD11 LEU A 27 -4.302 -0.647 14.703 1.00 10.00 H new ATOM 0 HD12 LEU A 27 -5.849 -1.450 14.342 1.00 10.00 H new ATOM 0 HD13 LEU A 27 -4.335 -2.384 14.313 1.00 10.00 H new ATOM 0 HD21 LEU A 27 -2.724 -0.119 13.009 1.00 10.00 H new ATOM 0 HD22 LEU A 27 -2.587 -1.816 12.491 1.00 10.00 H new ATOM 0 HD23 LEU A 27 -2.983 -0.552 11.303 1.00 10.00 H new ATOM 432 N LYS A 28 -6.035 -5.247 10.563 1.00 10.00 N ATOM 433 CA LYS A 28 -6.896 -6.439 10.510 1.00 10.00 C ATOM 434 C LYS A 28 -6.130 -7.760 10.679 1.00 10.00 C ATOM 435 O LYS A 28 -6.774 -8.812 10.653 1.00 10.00 O ATOM 436 CB LYS A 28 -7.832 -6.407 9.281 1.00 10.00 C ATOM 437 CG LYS A 28 -7.260 -6.860 7.930 1.00 10.00 C ATOM 438 CD LYS A 28 -8.144 -7.822 7.122 1.00 10.00 C ATOM 439 CE LYS A 28 -7.915 -9.299 7.467 1.00 10.00 C ATOM 440 NZ LYS A 28 -8.504 -9.690 8.767 1.00 10.00 N ATOM 0 H LYS A 28 -5.744 -4.908 9.646 1.00 10.00 H new ATOM 0 HA LYS A 28 -7.542 -6.400 11.387 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -8.698 -7.031 9.504 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -8.196 -5.386 9.165 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -7.068 -5.976 7.323 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -6.298 -7.341 8.106 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -9.191 -7.574 7.297 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -7.954 -7.672 6.059 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -8.342 -9.920 6.680 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -6.844 -9.500 7.485 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -8.560 -10.727 8.825 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -7.908 -9.332 9.540 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -9.459 -9.286 8.851 1.00 10.00 H new ATOM 454 N ARG A 29 -4.801 -7.730 10.859 1.00 10.00 N ATOM 455 CA ARG A 29 -3.950 -8.913 11.080 1.00 10.00 C ATOM 456 C ARG A 29 -3.258 -8.951 12.450 1.00 10.00 C ATOM 457 O ARG A 29 -3.145 -10.037 13.009 1.00 10.00 O ATOM 458 CB ARG A 29 -2.886 -8.988 9.965 1.00 10.00 C ATOM 459 CG ARG A 29 -3.150 -10.022 8.860 1.00 10.00 C ATOM 460 CD ARG A 29 -3.191 -11.463 9.392 1.00 10.00 C ATOM 461 NE ARG A 29 -3.074 -12.451 8.302 1.00 10.00 N ATOM 462 CZ ARG A 29 -3.648 -13.643 8.228 1.00 10.00 C ATOM 463 NH1 ARG A 29 -4.425 -14.099 9.184 1.00 10.00 N ATOM 464 NH2 ARG A 29 -3.455 -14.416 7.188 1.00 10.00 N ATOM 0 H ARG A 29 -4.272 -6.858 10.855 1.00 10.00 H new ATOM 0 HA ARG A 29 -4.616 -9.776 11.057 1.00 10.00 H new ATOM 0 HB2 ARG A 29 -2.800 -8.004 9.503 1.00 10.00 H new ATOM 0 HB3 ARG A 29 -1.922 -9.211 10.423 1.00 10.00 H new ATOM 0 HG2 ARG A 29 -4.097 -9.792 8.372 1.00 10.00 H new ATOM 0 HG3 ARG A 29 -2.373 -9.942 8.100 1.00 10.00 H new ATOM 0 HD2 ARG A 29 -2.380 -11.611 10.105 1.00 10.00 H new ATOM 0 HD3 ARG A 29 -4.124 -11.625 9.932 1.00 10.00 H new ATOM 0 HE ARG A 29 -2.483 -12.186 7.514 1.00 10.00 H new ATOM 0 HH11 ARG A 29 -4.601 -13.531 10.013 1.00 10.00 H new ATOM 0 HH12 ARG A 29 -4.852 -15.021 9.098 1.00 10.00 H new ATOM 0 HH21 ARG A 29 -2.857 -14.102 6.423 1.00 10.00 H new ATOM 0 HH22 ARG A 29 -3.903 -15.331 7.143 1.00 10.00 H new ATOM 478 N VAL A 30 -2.797 -7.812 12.979 1.00 10.00 N ATOM 479 CA VAL A 30 -1.940 -7.719 14.176 1.00 10.00 C ATOM 480 C VAL A 30 -2.227 -6.422 14.954 1.00 10.00 C ATOM 481 O VAL A 30 -2.627 -5.413 14.371 1.00 10.00 O ATOM 482 CB VAL A 30 -0.466 -7.858 13.738 1.00 10.00 C ATOM 483 CG1 VAL A 30 -0.010 -6.779 12.746 1.00 10.00 C ATOM 484 CG2 VAL A 30 0.509 -7.922 14.912 1.00 10.00 C ATOM 0 H VAL A 30 -3.014 -6.900 12.577 1.00 10.00 H new ATOM 0 HA VAL A 30 -2.160 -8.530 14.870 1.00 10.00 H new ATOM 0 HB VAL A 30 -0.441 -8.817 13.220 1.00 10.00 H new ATOM 0 HG11 VAL A 30 1.036 -6.943 12.485 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -0.621 -6.831 11.845 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -0.120 -5.795 13.202 1.00 10.00 H new ATOM 0 HG21 VAL A 30 1.527 -8.019 14.535 1.00 10.00 H new ATOM 0 HG22 VAL A 30 0.427 -7.010 15.503 1.00 10.00 H new ATOM 0 HG23 VAL A 30 0.270 -8.782 15.537 1.00 10.00 H new ATOM 494 N SER A 31 -2.058 -6.440 16.282 1.00 10.00 N ATOM 495 CA SER A 31 -2.533 -5.365 17.159 1.00 10.00 C ATOM 496 C SER A 31 -1.556 -4.201 17.378 1.00 10.00 C ATOM 497 O SER A 31 -0.388 -4.364 17.713 1.00 10.00 O ATOM 498 CB SER A 31 -2.960 -5.955 18.508 1.00 10.00 C ATOM 499 OG SER A 31 -3.414 -4.938 19.386 1.00 10.00 O ATOM 0 H SER A 31 -1.589 -7.199 16.777 1.00 10.00 H new ATOM 0 HA SER A 31 -3.377 -4.919 16.633 1.00 10.00 H new ATOM 0 HB2 SER A 31 -3.752 -6.688 18.354 1.00 10.00 H new ATOM 0 HB3 SER A 31 -2.120 -6.483 18.960 1.00 10.00 H new ATOM 0 HG SER A 31 -3.683 -5.338 20.239 1.00 10.00 H new ATOM 505 N ALA A 32 -2.087 -2.979 17.326 1.00 10.00 N ATOM 506 CA ALA A 32 -1.417 -1.753 17.763 1.00 10.00 C ATOM 507 C ALA A 32 -0.822 -1.859 19.190 1.00 10.00 C ATOM 508 O ALA A 32 0.068 -1.090 19.531 1.00 10.00 O ATOM 509 CB ALA A 32 -2.404 -0.587 17.643 1.00 10.00 C ATOM 0 H ALA A 32 -3.026 -2.809 16.967 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.559 -1.580 17.113 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.919 0.335 17.965 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -2.723 -0.486 16.606 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -3.273 -0.779 18.273 1.00 10.00 H new ATOM 515 N LYS A 33 -1.343 -2.750 20.055 1.00 10.00 N ATOM 516 CA LYS A 33 -0.770 -3.034 21.385 1.00 10.00 C ATOM 517 C LYS A 33 0.531 -3.872 21.373 1.00 10.00 C ATOM 518 O LYS A 33 1.235 -3.880 22.378 1.00 10.00 O ATOM 519 CB LYS A 33 -1.862 -3.680 22.255 1.00 10.00 C ATOM 520 CG LYS A 33 -1.476 -3.754 23.745 1.00 10.00 C ATOM 521 CD LYS A 33 -2.675 -3.990 24.679 1.00 10.00 C ATOM 522 CE LYS A 33 -3.274 -2.690 25.241 1.00 10.00 C ATOM 523 NZ LYS A 33 -3.853 -1.817 24.193 1.00 10.00 N ATOM 0 H LYS A 33 -2.179 -3.297 19.849 1.00 10.00 H new ATOM 0 HA LYS A 33 -0.451 -2.082 21.810 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -2.786 -3.110 22.152 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -2.065 -4.686 21.887 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -0.753 -4.557 23.885 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -0.981 -2.826 24.030 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -3.448 -4.533 24.136 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -2.362 -4.625 25.507 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -4.048 -2.938 25.968 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -2.499 -2.141 25.776 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -4.300 -0.990 24.638 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -3.099 -1.499 23.551 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -4.566 -2.348 23.654 1.00 10.00 H new ATOM 537 N GLU A 34 0.867 -4.542 20.266 1.00 10.00 N ATOM 538 CA GLU A 34 2.099 -5.344 20.090 1.00 10.00 C ATOM 539 C GLU A 34 3.017 -4.755 19.001 1.00 10.00 C ATOM 540 O GLU A 34 4.236 -4.939 19.054 1.00 10.00 O ATOM 541 CB GLU A 34 1.756 -6.828 19.817 1.00 10.00 C ATOM 542 CG GLU A 34 0.826 -7.002 18.608 1.00 10.00 C ATOM 543 CD GLU A 34 0.298 -8.410 18.339 1.00 10.00 C ATOM 544 OE1 GLU A 34 1.034 -9.387 18.596 1.00 10.00 O ATOM 545 OE2 GLU A 34 -0.855 -8.469 17.840 1.00 10.00 O ATOM 0 H GLU A 34 0.274 -4.546 19.436 1.00 10.00 H new ATOM 0 HA GLU A 34 2.659 -5.301 21.024 1.00 10.00 H new ATOM 0 HB2 GLU A 34 2.677 -7.385 19.646 1.00 10.00 H new ATOM 0 HB3 GLU A 34 1.283 -7.257 20.700 1.00 10.00 H new ATOM 0 HG2 GLU A 34 -0.029 -6.339 18.739 1.00 10.00 H new ATOM 0 HG3 GLU A 34 1.358 -6.664 17.719 1.00 10.00 H new ATOM 552 N ILE A 35 2.447 -4.009 18.044 1.00 10.00 N ATOM 553 CA ILE A 35 3.183 -3.175 17.092 1.00 10.00 C ATOM 554 C ILE A 35 3.721 -1.942 17.833 1.00 10.00 C ATOM 555 O ILE A 35 2.947 -1.158 18.376 1.00 10.00 O ATOM 556 CB ILE A 35 2.260 -2.751 15.918 1.00 10.00 C ATOM 557 CG1 ILE A 35 1.668 -3.922 15.098 1.00 10.00 C ATOM 558 CG2 ILE A 35 2.993 -1.807 14.952 1.00 10.00 C ATOM 559 CD1 ILE A 35 2.629 -5.086 14.873 1.00 10.00 C ATOM 0 H ILE A 35 1.437 -3.970 17.910 1.00 10.00 H new ATOM 0 HA ILE A 35 4.016 -3.739 16.672 1.00 10.00 H new ATOM 0 HB ILE A 35 1.425 -2.247 16.405 1.00 10.00 H new ATOM 0 HG12 ILE A 35 0.780 -4.294 15.609 1.00 10.00 H new ATOM 0 HG13 ILE A 35 1.343 -3.543 14.129 1.00 10.00 H new ATOM 0 HG21 ILE A 35 2.323 -1.526 14.139 1.00 10.00 H new ATOM 0 HG22 ILE A 35 3.309 -0.912 15.488 1.00 10.00 H new ATOM 0 HG23 ILE A 35 3.868 -2.313 14.543 1.00 10.00 H new ATOM 0 HD11 ILE A 35 2.132 -5.861 14.290 1.00 10.00 H new ATOM 0 HD12 ILE A 35 3.508 -4.733 14.333 1.00 10.00 H new ATOM 0 HD13 ILE A 35 2.935 -5.496 15.835 1.00 10.00 H new ATOM 571 N VAL A 36 5.043 -1.751 17.829 1.00 10.00 N ATOM 572 CA VAL A 36 5.685 -0.509 18.278 1.00 10.00 C ATOM 573 C VAL A 36 5.443 0.590 17.245 1.00 10.00 C ATOM 574 O VAL A 36 4.998 1.672 17.618 1.00 10.00 O ATOM 575 CB VAL A 36 7.194 -0.734 18.519 1.00 10.00 C ATOM 576 CG1 VAL A 36 8.019 0.559 18.554 1.00 10.00 C ATOM 577 CG2 VAL A 36 7.386 -1.457 19.854 1.00 10.00 C ATOM 0 H VAL A 36 5.705 -2.459 17.512 1.00 10.00 H new ATOM 0 HA VAL A 36 5.247 -0.197 19.226 1.00 10.00 H new ATOM 0 HB VAL A 36 7.552 -1.323 17.675 1.00 10.00 H new ATOM 0 HG11 VAL A 36 9.068 0.317 18.727 1.00 10.00 H new ATOM 0 HG12 VAL A 36 7.919 1.080 17.602 1.00 10.00 H new ATOM 0 HG13 VAL A 36 7.657 1.200 19.358 1.00 10.00 H new ATOM 0 HG21 VAL A 36 8.449 -1.619 20.030 1.00 10.00 H new ATOM 0 HG22 VAL A 36 6.973 -0.850 20.659 1.00 10.00 H new ATOM 0 HG23 VAL A 36 6.873 -2.418 19.824 1.00 10.00 H new ATOM 587 N ASP A 37 5.699 0.308 15.959 1.00 10.00 N ATOM 588 CA ASP A 37 5.368 1.229 14.865 1.00 10.00 C ATOM 589 C ASP A 37 5.328 0.546 13.481 1.00 10.00 C ATOM 590 O ASP A 37 5.677 -0.631 13.329 1.00 10.00 O ATOM 591 CB ASP A 37 6.355 2.424 14.858 1.00 10.00 C ATOM 592 CG ASP A 37 5.656 3.754 14.539 1.00 10.00 C ATOM 593 OD1 ASP A 37 4.639 3.709 13.807 1.00 10.00 O ATOM 594 OD2 ASP A 37 6.134 4.793 15.045 1.00 10.00 O ATOM 0 H ASP A 37 6.138 -0.559 15.651 1.00 10.00 H new ATOM 0 HA ASP A 37 4.357 1.590 15.053 1.00 10.00 H new ATOM 0 HB2 ASP A 37 6.842 2.496 15.830 1.00 10.00 H new ATOM 0 HB3 ASP A 37 7.138 2.242 14.122 1.00 10.00 H new ATOM 599 N ILE A 38 4.940 1.325 12.465 1.00 10.00 N ATOM 600 CA ILE A 38 5.015 0.978 11.044 1.00 10.00 C ATOM 601 C ILE A 38 5.615 2.126 10.234 1.00 10.00 C ATOM 602 O ILE A 38 5.309 3.294 10.461 1.00 10.00 O ATOM 603 CB ILE A 38 3.643 0.585 10.434 1.00 10.00 C ATOM 604 CG1 ILE A 38 2.524 1.631 10.660 1.00 10.00 C ATOM 605 CG2 ILE A 38 3.237 -0.809 10.917 1.00 10.00 C ATOM 606 CD1 ILE A 38 1.176 1.267 10.020 1.00 10.00 C ATOM 0 H ILE A 38 4.548 2.254 12.619 1.00 10.00 H new ATOM 0 HA ILE A 38 5.661 0.102 10.988 1.00 10.00 H new ATOM 0 HB ILE A 38 3.775 0.563 9.352 1.00 10.00 H new ATOM 0 HG12 ILE A 38 2.379 1.764 11.732 1.00 10.00 H new ATOM 0 HG13 ILE A 38 2.854 2.590 10.261 1.00 10.00 H new ATOM 0 HG21 ILE A 38 2.273 -1.077 10.485 1.00 10.00 H new ATOM 0 HG22 ILE A 38 3.989 -1.535 10.607 1.00 10.00 H new ATOM 0 HG23 ILE A 38 3.159 -0.809 12.004 1.00 10.00 H new ATOM 0 HD11 ILE A 38 0.451 2.054 10.227 1.00 10.00 H new ATOM 0 HD12 ILE A 38 1.301 1.164 8.942 1.00 10.00 H new ATOM 0 HD13 ILE A 38 0.818 0.325 10.436 1.00 10.00 H new ATOM 618 N ASP A 39 6.408 1.766 9.227 1.00 10.00 N ATOM 619 CA ASP A 39 6.867 2.686 8.189 1.00 10.00 C ATOM 620 C ASP A 39 6.424 2.079 6.859 1.00 10.00 C ATOM 621 O ASP A 39 6.575 0.881 6.633 1.00 10.00 O ATOM 622 CB ASP A 39 8.386 2.918 8.240 1.00 10.00 C ATOM 623 CG ASP A 39 8.836 3.680 9.486 1.00 10.00 C ATOM 624 OD1 ASP A 39 8.743 4.928 9.451 1.00 10.00 O ATOM 625 OD2 ASP A 39 9.311 3.012 10.432 1.00 10.00 O ATOM 0 H ASP A 39 6.754 0.814 9.108 1.00 10.00 H new ATOM 0 HA ASP A 39 6.433 3.676 8.332 1.00 10.00 H new ATOM 0 HB2 ASP A 39 8.896 1.955 8.207 1.00 10.00 H new ATOM 0 HB3 ASP A 39 8.693 3.472 7.353 1.00 10.00 H new ATOM 630 N ILE A 40 5.790 2.876 6.000 1.00 10.00 N ATOM 631 CA ILE A 40 5.314 2.424 4.693 1.00 10.00 C ATOM 632 C ILE A 40 5.787 3.445 3.674 1.00 10.00 C ATOM 633 O ILE A 40 5.494 4.636 3.788 1.00 10.00 O ATOM 634 CB ILE A 40 3.784 2.205 4.700 1.00 10.00 C ATOM 635 CG1 ILE A 40 3.445 0.917 5.483 1.00 10.00 C ATOM 636 CG2 ILE A 40 3.235 2.071 3.265 1.00 10.00 C ATOM 637 CD1 ILE A 40 1.999 0.809 5.959 1.00 10.00 C ATOM 0 H ILE A 40 5.591 3.858 6.192 1.00 10.00 H new ATOM 0 HA ILE A 40 5.724 1.449 4.430 1.00 10.00 H new ATOM 0 HB ILE A 40 3.323 3.071 5.176 1.00 10.00 H new ATOM 0 HG12 ILE A 40 3.668 0.057 4.851 1.00 10.00 H new ATOM 0 HG13 ILE A 40 4.102 0.854 6.350 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.156 1.918 3.301 1.00 10.00 H new ATOM 0 HG22 ILE A 40 3.454 2.980 2.705 1.00 10.00 H new ATOM 0 HG23 ILE A 40 3.706 1.220 2.773 1.00 10.00 H new ATOM 0 HD11 ILE A 40 1.862 -0.129 6.497 1.00 10.00 H new ATOM 0 HD12 ILE A 40 1.771 1.644 6.621 1.00 10.00 H new ATOM 0 HD13 ILE A 40 1.330 0.835 5.099 1.00 10.00 H new ATOM 649 N THR A 41 6.525 2.959 2.678 1.00 10.00 N ATOM 650 CA THR A 41 7.166 3.797 1.675 1.00 10.00 C ATOM 651 C THR A 41 6.608 3.398 0.313 1.00 10.00 C ATOM 652 O THR A 41 6.791 2.267 -0.136 1.00 10.00 O ATOM 653 CB THR A 41 8.696 3.627 1.738 1.00 10.00 C ATOM 654 OG1 THR A 41 9.187 3.747 3.061 1.00 10.00 O ATOM 655 CG2 THR A 41 9.388 4.714 0.913 1.00 10.00 C ATOM 0 H THR A 41 6.695 1.962 2.546 1.00 10.00 H new ATOM 0 HA THR A 41 6.958 4.851 1.857 1.00 10.00 H new ATOM 0 HB THR A 41 8.909 2.631 1.349 1.00 10.00 H new ATOM 0 HG1 THR A 41 10.160 3.632 3.060 1.00 10.00 H new ATOM 0 HG21 THR A 41 10.468 4.580 0.968 1.00 10.00 H new ATOM 0 HG22 THR A 41 9.066 4.643 -0.126 1.00 10.00 H new ATOM 0 HG23 THR A 41 9.124 5.695 1.309 1.00 10.00 H new ATOM 663 N VAL A 42 5.937 4.341 -0.354 1.00 10.00 N ATOM 664 CA VAL A 42 5.410 4.176 -1.711 1.00 10.00 C ATOM 665 C VAL A 42 6.132 5.159 -2.623 1.00 10.00 C ATOM 666 O VAL A 42 6.176 6.352 -2.325 1.00 10.00 O ATOM 667 CB VAL A 42 3.880 4.379 -1.752 1.00 10.00 C ATOM 668 CG1 VAL A 42 3.338 4.222 -3.181 1.00 10.00 C ATOM 669 CG2 VAL A 42 3.148 3.368 -0.856 1.00 10.00 C ATOM 0 H VAL A 42 5.741 5.260 0.043 1.00 10.00 H new ATOM 0 HA VAL A 42 5.590 3.158 -2.055 1.00 10.00 H new ATOM 0 HB VAL A 42 3.697 5.390 -1.389 1.00 10.00 H new ATOM 0 HG11 VAL A 42 2.258 4.370 -3.179 1.00 10.00 H new ATOM 0 HG12 VAL A 42 3.805 4.963 -3.831 1.00 10.00 H new ATOM 0 HG13 VAL A 42 3.566 3.222 -3.549 1.00 10.00 H new ATOM 0 HG21 VAL A 42 2.074 3.543 -0.912 1.00 10.00 H new ATOM 0 HG22 VAL A 42 3.368 2.356 -1.194 1.00 10.00 H new ATOM 0 HG23 VAL A 42 3.482 3.487 0.175 1.00 10.00 H new ATOM 679 N LEU A 43 6.654 4.666 -3.747 1.00 10.00 N ATOM 680 CA LEU A 43 7.224 5.483 -4.811 1.00 10.00 C ATOM 681 C LEU A 43 6.362 5.296 -6.055 1.00 10.00 C ATOM 682 O LEU A 43 5.984 4.177 -6.399 1.00 10.00 O ATOM 683 CB LEU A 43 8.681 5.091 -5.115 1.00 10.00 C ATOM 684 CG LEU A 43 9.743 5.309 -4.021 1.00 10.00 C ATOM 685 CD1 LEU A 43 9.628 6.659 -3.307 1.00 10.00 C ATOM 686 CD2 LEU A 43 9.778 4.178 -2.987 1.00 10.00 C ATOM 0 H LEU A 43 6.691 3.666 -3.944 1.00 10.00 H new ATOM 0 HA LEU A 43 7.235 6.526 -4.496 1.00 10.00 H new ATOM 0 HB2 LEU A 43 8.691 4.034 -5.382 1.00 10.00 H new ATOM 0 HB3 LEU A 43 8.996 5.646 -5.999 1.00 10.00 H new ATOM 0 HG LEU A 43 10.686 5.306 -4.568 1.00 10.00 H new ATOM 0 HD11 LEU A 43 10.409 6.739 -2.551 1.00 10.00 H new ATOM 0 HD12 LEU A 43 9.741 7.465 -4.032 1.00 10.00 H new ATOM 0 HD13 LEU A 43 8.651 6.736 -2.829 1.00 10.00 H new ATOM 0 HD21 LEU A 43 10.546 4.389 -2.243 1.00 10.00 H new ATOM 0 HD22 LEU A 43 8.808 4.104 -2.496 1.00 10.00 H new ATOM 0 HD23 LEU A 43 10.005 3.236 -3.486 1.00 10.00 H new ATOM 698 N VAL A 44 6.027 6.406 -6.711 1.00 10.00 N ATOM 699 CA VAL A 44 5.258 6.406 -7.955 1.00 10.00 C ATOM 700 C VAL A 44 5.810 7.452 -8.926 1.00 10.00 C ATOM 701 O VAL A 44 6.046 8.594 -8.537 1.00 10.00 O ATOM 702 CB VAL A 44 3.750 6.545 -7.658 1.00 10.00 C ATOM 703 CG1 VAL A 44 3.377 7.820 -6.889 1.00 10.00 C ATOM 704 CG2 VAL A 44 2.915 6.446 -8.940 1.00 10.00 C ATOM 0 H VAL A 44 6.284 7.340 -6.391 1.00 10.00 H new ATOM 0 HA VAL A 44 5.370 5.447 -8.461 1.00 10.00 H new ATOM 0 HB VAL A 44 3.515 5.706 -7.003 1.00 10.00 H new ATOM 0 HG11 VAL A 44 2.300 7.841 -6.721 1.00 10.00 H new ATOM 0 HG12 VAL A 44 3.895 7.831 -5.930 1.00 10.00 H new ATOM 0 HG13 VAL A 44 3.671 8.694 -7.470 1.00 10.00 H new ATOM 0 HG21 VAL A 44 1.858 6.548 -8.694 1.00 10.00 H new ATOM 0 HG22 VAL A 44 3.206 7.241 -9.626 1.00 10.00 H new ATOM 0 HG23 VAL A 44 3.086 5.478 -9.412 1.00 10.00 H new ATOM 714 N GLU A 45 6.006 7.068 -10.189 1.00 10.00 N ATOM 715 CA GLU A 45 6.473 7.960 -11.254 1.00 10.00 C ATOM 716 C GLU A 45 5.999 7.493 -12.637 1.00 10.00 C ATOM 717 O GLU A 45 5.632 6.331 -12.830 1.00 10.00 O ATOM 718 CB GLU A 45 8.002 8.159 -11.223 1.00 10.00 C ATOM 719 CG GLU A 45 8.832 6.917 -11.571 1.00 10.00 C ATOM 720 CD GLU A 45 10.301 7.291 -11.793 1.00 10.00 C ATOM 721 OE1 GLU A 45 10.608 7.748 -12.918 1.00 10.00 O ATOM 722 OE2 GLU A 45 11.096 7.126 -10.842 1.00 10.00 O ATOM 0 H GLU A 45 5.842 6.113 -10.506 1.00 10.00 H new ATOM 0 HA GLU A 45 6.021 8.933 -11.062 1.00 10.00 H new ATOM 0 HB2 GLU A 45 8.262 8.956 -11.919 1.00 10.00 H new ATOM 0 HB3 GLU A 45 8.287 8.499 -10.228 1.00 10.00 H new ATOM 0 HG2 GLU A 45 8.756 6.186 -10.767 1.00 10.00 H new ATOM 0 HG3 GLU A 45 8.432 6.446 -12.469 1.00 10.00 H new ATOM 729 N TYR A 46 6.007 8.414 -13.606 1.00 10.00 N ATOM 730 CA TYR A 46 5.693 8.111 -14.997 1.00 10.00 C ATOM 731 C TYR A 46 6.816 8.623 -15.907 1.00 10.00 C ATOM 732 O TYR A 46 6.980 9.829 -16.079 1.00 10.00 O ATOM 733 CB TYR A 46 4.314 8.678 -15.369 1.00 10.00 C ATOM 734 CG TYR A 46 3.764 7.981 -16.595 1.00 10.00 C ATOM 735 CD1 TYR A 46 4.318 8.246 -17.861 1.00 10.00 C ATOM 736 CD2 TYR A 46 2.809 6.960 -16.440 1.00 10.00 C ATOM 737 CE1 TYR A 46 4.000 7.416 -18.949 1.00 10.00 C ATOM 738 CE2 TYR A 46 2.463 6.150 -17.536 1.00 10.00 C ATOM 739 CZ TYR A 46 3.110 6.335 -18.775 1.00 10.00 C ATOM 740 OH TYR A 46 2.939 5.425 -19.771 1.00 10.00 O ATOM 0 H TYR A 46 6.233 9.395 -13.441 1.00 10.00 H new ATOM 0 HA TYR A 46 5.633 7.032 -15.138 1.00 10.00 H new ATOM 0 HB2 TYR A 46 3.626 8.552 -14.533 1.00 10.00 H new ATOM 0 HB3 TYR A 46 4.394 9.749 -15.558 1.00 10.00 H new ATOM 0 HD1 TYR A 46 4.985 9.084 -17.996 1.00 10.00 H new ATOM 0 HD2 TYR A 46 2.342 6.798 -15.480 1.00 10.00 H new ATOM 0 HE1 TYR A 46 4.437 7.605 -19.918 1.00 10.00 H new ATOM 0 HE2 TYR A 46 1.704 5.389 -17.429 1.00 10.00 H new ATOM 0 HH TYR A 46 3.640 5.543 -20.446 1.00 10.00 H new ATOM 750 N THR A 47 7.594 7.697 -16.476 1.00 10.00 N ATOM 751 CA THR A 47 8.717 7.982 -17.382 1.00 10.00 C ATOM 752 C THR A 47 8.579 7.091 -18.622 1.00 10.00 C ATOM 753 O THR A 47 9.161 6.012 -18.706 1.00 10.00 O ATOM 754 CB THR A 47 10.054 7.890 -16.618 1.00 10.00 C ATOM 755 OG1 THR A 47 11.113 8.248 -17.471 1.00 10.00 O ATOM 756 CG2 THR A 47 10.391 6.541 -15.969 1.00 10.00 C ATOM 0 H THR A 47 7.458 6.699 -16.316 1.00 10.00 H new ATOM 0 HA THR A 47 8.701 9.007 -17.753 1.00 10.00 H new ATOM 0 HB THR A 47 9.924 8.582 -15.786 1.00 10.00 H new ATOM 0 HG1 THR A 47 11.961 8.190 -16.982 1.00 10.00 H new ATOM 0 HG21 THR A 47 11.355 6.610 -15.465 1.00 10.00 H new ATOM 0 HG22 THR A 47 9.620 6.284 -15.243 1.00 10.00 H new ATOM 0 HG23 THR A 47 10.438 5.769 -16.737 1.00 10.00 H new ATOM 764 N ASP A 48 7.715 7.522 -19.556 1.00 10.00 N ATOM 765 CA ASP A 48 7.160 6.778 -20.711 1.00 10.00 C ATOM 766 C ASP A 48 6.357 5.512 -20.328 1.00 10.00 C ATOM 767 O ASP A 48 5.287 5.259 -20.888 1.00 10.00 O ATOM 768 CB ASP A 48 8.229 6.510 -21.785 1.00 10.00 C ATOM 769 CG ASP A 48 8.784 7.798 -22.407 1.00 10.00 C ATOM 770 OD1 ASP A 48 7.998 8.765 -22.540 1.00 10.00 O ATOM 771 OD2 ASP A 48 9.980 7.791 -22.774 1.00 10.00 O ATOM 0 H ASP A 48 7.354 8.476 -19.525 1.00 10.00 H new ATOM 0 HA ASP A 48 6.417 7.440 -21.155 1.00 10.00 H new ATOM 0 HB2 ASP A 48 9.048 5.944 -21.342 1.00 10.00 H new ATOM 0 HB3 ASP A 48 7.800 5.888 -22.571 1.00 10.00 H new ATOM 776 N GLU A 49 6.805 4.797 -19.296 1.00 10.00 N ATOM 777 CA GLU A 49 6.151 3.707 -18.581 1.00 10.00 C ATOM 778 C GLU A 49 5.717 4.201 -17.181 1.00 10.00 C ATOM 779 O GLU A 49 6.310 5.129 -16.622 1.00 10.00 O ATOM 780 CB GLU A 49 7.178 2.564 -18.451 1.00 10.00 C ATOM 781 CG GLU A 49 6.572 1.183 -18.150 1.00 10.00 C ATOM 782 CD GLU A 49 7.610 0.229 -17.544 1.00 10.00 C ATOM 783 OE1 GLU A 49 8.799 0.261 -17.942 1.00 10.00 O ATOM 784 OE2 GLU A 49 7.278 -0.477 -16.564 1.00 10.00 O ATOM 0 H GLU A 49 7.727 4.988 -18.903 1.00 10.00 H new ATOM 0 HA GLU A 49 5.264 3.361 -19.112 1.00 10.00 H new ATOM 0 HB2 GLU A 49 7.749 2.500 -19.377 1.00 10.00 H new ATOM 0 HB3 GLU A 49 7.883 2.816 -17.659 1.00 10.00 H new ATOM 0 HG2 GLU A 49 5.735 1.295 -17.461 1.00 10.00 H new ATOM 0 HG3 GLU A 49 6.174 0.752 -19.069 1.00 10.00 H new ATOM 791 N LEU A 50 4.716 3.543 -16.587 1.00 10.00 N ATOM 792 CA LEU A 50 4.291 3.759 -15.202 1.00 10.00 C ATOM 793 C LEU A 50 5.151 2.907 -14.262 1.00 10.00 C ATOM 794 O LEU A 50 5.235 1.693 -14.443 1.00 10.00 O ATOM 795 CB LEU A 50 2.808 3.349 -15.072 1.00 10.00 C ATOM 796 CG LEU A 50 2.223 3.382 -13.643 1.00 10.00 C ATOM 797 CD1 LEU A 50 2.241 4.781 -13.020 1.00 10.00 C ATOM 798 CD2 LEU A 50 0.772 2.892 -13.679 1.00 10.00 C ATOM 0 H LEU A 50 4.167 2.830 -17.067 1.00 10.00 H new ATOM 0 HA LEU A 50 4.409 4.809 -14.933 1.00 10.00 H new ATOM 0 HB2 LEU A 50 2.212 4.008 -15.703 1.00 10.00 H new ATOM 0 HB3 LEU A 50 2.694 2.340 -15.468 1.00 10.00 H new ATOM 0 HG LEU A 50 2.852 2.736 -13.031 1.00 10.00 H new ATOM 0 HD11 LEU A 50 1.817 4.738 -12.017 1.00 10.00 H new ATOM 0 HD12 LEU A 50 3.268 5.142 -12.965 1.00 10.00 H new ATOM 0 HD13 LEU A 50 1.650 5.461 -13.634 1.00 10.00 H new ATOM 0 HD21 LEU A 50 0.356 2.914 -12.672 1.00 10.00 H new ATOM 0 HD22 LEU A 50 0.185 3.541 -14.329 1.00 10.00 H new ATOM 0 HD23 LEU A 50 0.742 1.872 -14.062 1.00 10.00 H new ATOM 810 N LYS A 51 5.719 3.523 -13.219 1.00 10.00 N ATOM 811 CA LYS A 51 6.374 2.814 -12.115 1.00 10.00 C ATOM 812 C LYS A 51 5.622 3.122 -10.823 1.00 10.00 C ATOM 813 O LYS A 51 5.388 4.286 -10.500 1.00 10.00 O ATOM 814 CB LYS A 51 7.851 3.226 -11.989 1.00 10.00 C ATOM 815 CG LYS A 51 8.713 2.970 -13.236 1.00 10.00 C ATOM 816 CD LYS A 51 8.783 1.488 -13.629 1.00 10.00 C ATOM 817 CE LYS A 51 9.689 1.331 -14.850 1.00 10.00 C ATOM 818 NZ LYS A 51 9.610 -0.035 -15.410 1.00 10.00 N ATOM 0 H LYS A 51 5.737 4.538 -13.117 1.00 10.00 H new ATOM 0 HA LYS A 51 6.351 1.742 -12.312 1.00 10.00 H new ATOM 0 HB2 LYS A 51 7.896 4.288 -11.749 1.00 10.00 H new ATOM 0 HB3 LYS A 51 8.290 2.690 -11.148 1.00 10.00 H new ATOM 0 HG2 LYS A 51 8.310 3.542 -14.072 1.00 10.00 H new ATOM 0 HG3 LYS A 51 9.722 3.339 -13.054 1.00 10.00 H new ATOM 0 HD2 LYS A 51 9.168 0.897 -12.798 1.00 10.00 H new ATOM 0 HD3 LYS A 51 7.785 1.112 -13.852 1.00 10.00 H new ATOM 0 HE2 LYS A 51 9.403 2.055 -15.613 1.00 10.00 H new ATOM 0 HE3 LYS A 51 10.719 1.552 -14.571 1.00 10.00 H new ATOM 0 HZ1 LYS A 51 9.946 -0.027 -16.394 1.00 10.00 H new ATOM 0 HZ2 LYS A 51 10.205 -0.676 -14.847 1.00 10.00 H new ATOM 0 HZ3 LYS A 51 8.624 -0.365 -15.383 1.00 10.00 H new ATOM 832 N VAL A 52 5.226 2.069 -10.110 1.00 10.00 N ATOM 833 CA VAL A 52 4.686 2.139 -8.753 1.00 10.00 C ATOM 834 C VAL A 52 5.327 1.023 -7.932 1.00 10.00 C ATOM 835 O VAL A 52 5.247 -0.150 -8.295 1.00 10.00 O ATOM 836 CB VAL A 52 3.142 2.124 -8.744 1.00 10.00 C ATOM 837 CG1 VAL A 52 2.513 0.905 -9.435 1.00 10.00 C ATOM 838 CG2 VAL A 52 2.594 2.243 -7.314 1.00 10.00 C ATOM 0 H VAL A 52 5.273 1.116 -10.471 1.00 10.00 H new ATOM 0 HA VAL A 52 4.941 3.092 -8.289 1.00 10.00 H new ATOM 0 HB VAL A 52 2.854 2.996 -9.331 1.00 10.00 H new ATOM 0 HG11 VAL A 52 1.427 0.977 -9.381 1.00 10.00 H new ATOM 0 HG12 VAL A 52 2.824 0.878 -10.479 1.00 10.00 H new ATOM 0 HG13 VAL A 52 2.841 -0.006 -8.935 1.00 10.00 H new ATOM 0 HG21 VAL A 52 1.504 2.230 -7.340 1.00 10.00 H new ATOM 0 HG22 VAL A 52 2.953 1.406 -6.716 1.00 10.00 H new ATOM 0 HG23 VAL A 52 2.935 3.178 -6.870 1.00 10.00 H new ATOM 848 N ASP A 53 5.964 1.401 -6.827 1.00 10.00 N ATOM 849 CA ASP A 53 6.820 0.535 -6.025 1.00 10.00 C ATOM 850 C ASP A 53 6.506 0.770 -4.545 1.00 10.00 C ATOM 851 O ASP A 53 6.309 1.905 -4.109 1.00 10.00 O ATOM 852 CB ASP A 53 8.289 0.824 -6.362 1.00 10.00 C ATOM 853 CG ASP A 53 8.641 0.384 -7.788 1.00 10.00 C ATOM 854 OD1 ASP A 53 9.020 -0.800 -7.932 1.00 10.00 O ATOM 855 OD2 ASP A 53 8.530 1.225 -8.711 1.00 10.00 O ATOM 0 H ASP A 53 5.896 2.348 -6.454 1.00 10.00 H new ATOM 0 HA ASP A 53 6.635 -0.516 -6.246 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.485 1.891 -6.252 1.00 10.00 H new ATOM 0 HB3 ASP A 53 8.934 0.306 -5.652 1.00 10.00 H new ATOM 860 N ILE A 54 6.415 -0.322 -3.781 1.00 10.00 N ATOM 861 CA ILE A 54 5.882 -0.323 -2.419 1.00 10.00 C ATOM 862 C ILE A 54 6.823 -1.087 -1.486 1.00 10.00 C ATOM 863 O ILE A 54 7.253 -2.195 -1.803 1.00 10.00 O ATOM 864 CB ILE A 54 4.465 -0.959 -2.420 1.00 10.00 C ATOM 865 CG1 ILE A 54 3.503 -0.246 -3.404 1.00 10.00 C ATOM 866 CG2 ILE A 54 3.851 -0.967 -1.008 1.00 10.00 C ATOM 867 CD1 ILE A 54 2.085 -0.831 -3.440 1.00 10.00 C ATOM 0 H ILE A 54 6.715 -1.244 -4.098 1.00 10.00 H new ATOM 0 HA ILE A 54 5.806 0.702 -2.056 1.00 10.00 H new ATOM 0 HB ILE A 54 4.593 -1.988 -2.757 1.00 10.00 H new ATOM 0 HG12 ILE A 54 3.441 0.808 -3.133 1.00 10.00 H new ATOM 0 HG13 ILE A 54 3.928 -0.293 -4.407 1.00 10.00 H new ATOM 0 HG21 ILE A 54 2.860 -1.419 -1.045 1.00 10.00 H new ATOM 0 HG22 ILE A 54 4.488 -1.544 -0.338 1.00 10.00 H new ATOM 0 HG23 ILE A 54 3.770 0.056 -0.641 1.00 10.00 H new ATOM 0 HD11 ILE A 54 1.479 -0.273 -4.154 1.00 10.00 H new ATOM 0 HD12 ILE A 54 2.131 -1.877 -3.742 1.00 10.00 H new ATOM 0 HD13 ILE A 54 1.636 -0.759 -2.449 1.00 10.00 H new ATOM 879 N SER A 55 7.069 -0.515 -0.306 1.00 10.00 N ATOM 880 CA SER A 55 7.721 -1.167 0.827 1.00 10.00 C ATOM 881 C SER A 55 6.873 -0.913 2.069 1.00 10.00 C ATOM 882 O SER A 55 6.344 0.187 2.249 1.00 10.00 O ATOM 883 CB SER A 55 9.139 -0.626 1.030 1.00 10.00 C ATOM 884 OG SER A 55 9.838 -1.452 1.941 1.00 10.00 O ATOM 0 H SER A 55 6.809 0.451 -0.108 1.00 10.00 H new ATOM 0 HA SER A 55 7.805 -2.237 0.637 1.00 10.00 H new ATOM 0 HB2 SER A 55 9.666 -0.592 0.076 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.098 0.396 1.408 1.00 10.00 H new ATOM 0 HG SER A 55 9.339 -1.506 2.783 1.00 10.00 H new ATOM 890 N ALA A 56 6.727 -1.934 2.912 1.00 10.00 N ATOM 891 CA ALA A 56 6.130 -1.789 4.228 1.00 10.00 C ATOM 892 C ALA A 56 7.025 -2.458 5.271 1.00 10.00 C ATOM 893 O ALA A 56 7.532 -3.562 5.073 1.00 10.00 O ATOM 894 CB ALA A 56 4.704 -2.347 4.212 1.00 10.00 C ATOM 0 H ALA A 56 7.022 -2.886 2.696 1.00 10.00 H new ATOM 0 HA ALA A 56 6.054 -0.737 4.501 1.00 10.00 H new ATOM 0 HB1 ALA A 56 4.259 -2.237 5.201 1.00 10.00 H new ATOM 0 HB2 ALA A 56 4.107 -1.800 3.482 1.00 10.00 H new ATOM 0 HB3 ALA A 56 4.729 -3.403 3.941 1.00 10.00 H new ATOM 900 N GLU A 57 7.168 -1.779 6.402 1.00 10.00 N ATOM 901 CA GLU A 57 8.064 -2.105 7.491 1.00 10.00 C ATOM 902 C GLU A 57 7.227 -2.157 8.775 1.00 10.00 C ATOM 903 O GLU A 57 6.471 -1.230 9.073 1.00 10.00 O ATOM 904 CB GLU A 57 9.139 -1.015 7.624 1.00 10.00 C ATOM 905 CG GLU A 57 10.110 -0.785 6.453 1.00 10.00 C ATOM 906 CD GLU A 57 9.540 -0.108 5.180 1.00 10.00 C ATOM 907 OE1 GLU A 57 9.363 1.133 5.160 1.00 10.00 O ATOM 908 OE2 GLU A 57 9.369 -0.826 4.163 1.00 10.00 O ATOM 0 H GLU A 57 6.626 -0.936 6.589 1.00 10.00 H new ATOM 0 HA GLU A 57 8.557 -3.060 7.309 1.00 10.00 H new ATOM 0 HB2 GLU A 57 8.630 -0.072 7.821 1.00 10.00 H new ATOM 0 HB3 GLU A 57 9.735 -1.246 8.507 1.00 10.00 H new ATOM 0 HG2 GLU A 57 10.939 -0.177 6.816 1.00 10.00 H new ATOM 0 HG3 GLU A 57 10.525 -1.751 6.164 1.00 10.00 H new ATOM 915 N LEU A 58 7.358 -3.251 9.529 1.00 10.00 N ATOM 916 CA LEU A 58 6.511 -3.568 10.675 1.00 10.00 C ATOM 917 C LEU A 58 7.398 -3.864 11.879 1.00 10.00 C ATOM 918 O LEU A 58 8.165 -4.827 11.862 1.00 10.00 O ATOM 919 CB LEU A 58 5.621 -4.764 10.293 1.00 10.00 C ATOM 920 CG LEU A 58 4.627 -5.212 11.379 1.00 10.00 C ATOM 921 CD1 LEU A 58 3.558 -4.150 11.633 1.00 10.00 C ATOM 922 CD2 LEU A 58 3.934 -6.505 10.945 1.00 10.00 C ATOM 0 H LEU A 58 8.074 -3.956 9.353 1.00 10.00 H new ATOM 0 HA LEU A 58 5.865 -2.733 10.945 1.00 10.00 H new ATOM 0 HB2 LEU A 58 5.061 -4.508 9.394 1.00 10.00 H new ATOM 0 HB3 LEU A 58 6.263 -5.608 10.039 1.00 10.00 H new ATOM 0 HG LEU A 58 5.192 -5.369 12.298 1.00 10.00 H new ATOM 0 HD11 LEU A 58 2.873 -4.500 12.406 1.00 10.00 H new ATOM 0 HD12 LEU A 58 4.034 -3.226 11.962 1.00 10.00 H new ATOM 0 HD13 LEU A 58 3.003 -3.965 10.713 1.00 10.00 H new ATOM 0 HD21 LEU A 58 3.231 -6.818 11.717 1.00 10.00 H new ATOM 0 HD22 LEU A 58 3.396 -6.334 10.013 1.00 10.00 H new ATOM 0 HD23 LEU A 58 4.680 -7.285 10.796 1.00 10.00 H new ATOM 934 N TYR A 59 7.285 -3.041 12.923 1.00 10.00 N ATOM 935 CA TYR A 59 8.181 -3.087 14.068 1.00 10.00 C ATOM 936 C TYR A 59 7.396 -3.531 15.305 1.00 10.00 C ATOM 937 O TYR A 59 6.571 -2.786 15.828 1.00 10.00 O ATOM 938 CB TYR A 59 8.875 -1.723 14.211 1.00 10.00 C ATOM 939 CG TYR A 59 9.823 -1.403 13.060 1.00 10.00 C ATOM 940 CD1 TYR A 59 11.103 -1.993 13.038 1.00 10.00 C ATOM 941 CD2 TYR A 59 9.442 -0.534 12.013 1.00 10.00 C ATOM 942 CE1 TYR A 59 12.002 -1.713 11.991 1.00 10.00 C ATOM 943 CE2 TYR A 59 10.347 -0.230 10.980 1.00 10.00 C ATOM 944 CZ TYR A 59 11.626 -0.823 10.960 1.00 10.00 C ATOM 945 OH TYR A 59 12.491 -0.544 9.948 1.00 10.00 O ATOM 0 H TYR A 59 6.564 -2.322 12.993 1.00 10.00 H new ATOM 0 HA TYR A 59 8.974 -3.823 13.935 1.00 10.00 H new ATOM 0 HB2 TYR A 59 8.117 -0.943 14.275 1.00 10.00 H new ATOM 0 HB3 TYR A 59 9.433 -1.704 15.147 1.00 10.00 H new ATOM 0 HD1 TYR A 59 11.397 -2.665 13.831 1.00 10.00 H new ATOM 0 HD2 TYR A 59 8.452 -0.102 12.006 1.00 10.00 H new ATOM 0 HE1 TYR A 59 12.977 -2.178 11.976 1.00 10.00 H new ATOM 0 HE2 TYR A 59 10.061 0.460 10.200 1.00 10.00 H new ATOM 0 HH TYR A 59 12.072 0.085 9.324 1.00 10.00 H new ATOM 955 N LEU A 60 7.635 -4.776 15.734 1.00 10.00 N ATOM 956 CA LEU A 60 7.060 -5.396 16.932 1.00 10.00 C ATOM 957 C LEU A 60 7.823 -5.006 18.201 1.00 10.00 C ATOM 958 O LEU A 60 9.025 -4.740 18.164 1.00 10.00 O ATOM 959 CB LEU A 60 7.099 -6.941 16.811 1.00 10.00 C ATOM 960 CG LEU A 60 6.006 -7.636 15.976 1.00 10.00 C ATOM 961 CD1 LEU A 60 4.678 -7.602 16.737 1.00 10.00 C ATOM 962 CD2 LEU A 60 5.820 -7.056 14.573 1.00 10.00 C ATOM 0 H LEU A 60 8.262 -5.406 15.233 1.00 10.00 H new ATOM 0 HA LEU A 60 6.033 -5.038 17.006 1.00 10.00 H new ATOM 0 HB2 LEU A 60 8.065 -7.217 16.389 1.00 10.00 H new ATOM 0 HB3 LEU A 60 7.061 -7.355 17.819 1.00 10.00 H new ATOM 0 HG LEU A 60 6.343 -8.662 15.830 1.00 10.00 H new ATOM 0 HD11 LEU A 60 3.907 -8.094 16.145 1.00 10.00 H new ATOM 0 HD12 LEU A 60 4.791 -8.121 17.689 1.00 10.00 H new ATOM 0 HD13 LEU A 60 4.390 -6.567 16.920 1.00 10.00 H new ATOM 0 HD21 LEU A 60 5.032 -7.603 14.055 1.00 10.00 H new ATOM 0 HD22 LEU A 60 5.543 -6.005 14.648 1.00 10.00 H new ATOM 0 HD23 LEU A 60 6.752 -7.147 14.015 1.00 10.00 H new ATOM 974 N ASP A 61 7.109 -5.003 19.329 1.00 10.00 N ATOM 975 CA ASP A 61 7.721 -4.929 20.657 1.00 10.00 C ATOM 976 C ASP A 61 8.644 -6.137 20.908 1.00 10.00 C ATOM 977 O ASP A 61 8.363 -7.245 20.455 1.00 10.00 O ATOM 978 CB ASP A 61 6.635 -4.833 21.738 1.00 10.00 C ATOM 979 CG ASP A 61 7.252 -4.699 23.133 1.00 10.00 C ATOM 980 OD1 ASP A 61 8.289 -4.006 23.238 1.00 10.00 O ATOM 981 OD2 ASP A 61 6.719 -5.342 24.062 1.00 10.00 O ATOM 0 H ASP A 61 6.090 -5.052 19.347 1.00 10.00 H new ATOM 0 HA ASP A 61 8.334 -4.029 20.704 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.993 -3.975 21.537 1.00 10.00 H new ATOM 0 HB3 ASP A 61 6.002 -5.720 21.701 1.00 10.00 H new ATOM 986 N GLU A 62 9.728 -5.949 21.672 1.00 10.00 N ATOM 987 CA GLU A 62 10.721 -6.997 21.985 1.00 10.00 C ATOM 988 C GLU A 62 10.175 -8.174 22.829 1.00 10.00 C ATOM 989 O GLU A 62 10.916 -9.089 23.185 1.00 10.00 O ATOM 990 CB GLU A 62 11.983 -6.364 22.603 1.00 10.00 C ATOM 991 CG GLU A 62 11.757 -5.665 23.952 1.00 10.00 C ATOM 992 CD GLU A 62 13.079 -5.144 24.531 1.00 10.00 C ATOM 993 OE1 GLU A 62 13.617 -4.166 23.962 1.00 10.00 O ATOM 994 OE2 GLU A 62 13.549 -5.732 25.532 1.00 10.00 O ATOM 0 H GLU A 62 9.948 -5.050 22.100 1.00 10.00 H new ATOM 0 HA GLU A 62 10.987 -7.462 21.036 1.00 10.00 H new ATOM 0 HB2 GLU A 62 12.736 -7.141 22.734 1.00 10.00 H new ATOM 0 HB3 GLU A 62 12.392 -5.640 21.898 1.00 10.00 H new ATOM 0 HG2 GLU A 62 11.061 -4.836 23.824 1.00 10.00 H new ATOM 0 HG3 GLU A 62 11.298 -6.361 24.654 1.00 10.00 H new ATOM 1001 N LEU A 63 8.867 -8.172 23.106 1.00 10.00 N ATOM 1002 CA LEU A 63 8.094 -9.201 23.801 1.00 10.00 C ATOM 1003 C LEU A 63 6.877 -9.660 22.967 1.00 10.00 C ATOM 1004 O LEU A 63 5.883 -10.159 23.499 1.00 10.00 O ATOM 1005 CB LEU A 63 7.666 -8.622 25.156 1.00 10.00 C ATOM 1006 CG LEU A 63 8.821 -8.376 26.148 1.00 10.00 C ATOM 1007 CD1 LEU A 63 8.325 -7.538 27.327 1.00 10.00 C ATOM 1008 CD2 LEU A 63 9.384 -9.695 26.692 1.00 10.00 C ATOM 0 H LEU A 63 8.277 -7.388 22.827 1.00 10.00 H new ATOM 0 HA LEU A 63 8.705 -10.091 23.951 1.00 10.00 H new ATOM 0 HB2 LEU A 63 7.146 -7.679 24.985 1.00 10.00 H new ATOM 0 HB3 LEU A 63 6.949 -9.302 25.616 1.00 10.00 H new ATOM 0 HG LEU A 63 9.609 -7.850 25.610 1.00 10.00 H new ATOM 0 HD11 LEU A 63 9.146 -7.368 28.024 1.00 10.00 H new ATOM 0 HD12 LEU A 63 7.955 -6.580 26.962 1.00 10.00 H new ATOM 0 HD13 LEU A 63 7.520 -8.068 27.837 1.00 10.00 H new ATOM 0 HD21 LEU A 63 10.196 -9.484 27.388 1.00 10.00 H new ATOM 0 HD22 LEU A 63 8.595 -10.241 27.209 1.00 10.00 H new ATOM 0 HD23 LEU A 63 9.761 -10.298 25.866 1.00 10.00 H new ATOM 1020 N SER A 64 6.902 -9.462 21.647 1.00 10.00 N ATOM 1021 CA SER A 64 5.889 -9.990 20.716 1.00 10.00 C ATOM 1022 C SER A 64 6.465 -10.306 19.327 1.00 10.00 C ATOM 1023 O SER A 64 7.538 -9.834 18.964 1.00 10.00 O ATOM 1024 CB SER A 64 4.716 -9.010 20.639 1.00 10.00 C ATOM 1025 OG SER A 64 4.058 -9.008 21.893 1.00 10.00 O ATOM 0 H SER A 64 7.634 -8.924 21.184 1.00 10.00 H new ATOM 0 HA SER A 64 5.533 -10.944 21.104 1.00 10.00 H new ATOM 0 HB2 SER A 64 5.072 -8.009 20.395 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.026 -9.304 19.848 1.00 10.00 H new ATOM 0 HG SER A 64 4.441 -9.706 22.465 1.00 10.00 H new ATOM 1031 N ASP A 65 5.761 -11.146 18.556 1.00 10.00 N ATOM 1032 CA ASP A 65 6.252 -11.737 17.311 1.00 10.00 C ATOM 1033 C ASP A 65 5.059 -12.192 16.453 1.00 10.00 C ATOM 1034 O ASP A 65 4.391 -13.178 16.759 1.00 10.00 O ATOM 1035 CB ASP A 65 7.201 -12.909 17.634 1.00 10.00 C ATOM 1036 CG ASP A 65 7.930 -13.448 16.398 1.00 10.00 C ATOM 1037 OD1 ASP A 65 8.205 -12.632 15.489 1.00 10.00 O ATOM 1038 OD2 ASP A 65 8.251 -14.658 16.406 1.00 10.00 O ATOM 0 H ASP A 65 4.812 -11.438 18.789 1.00 10.00 H new ATOM 0 HA ASP A 65 6.814 -10.998 16.741 1.00 10.00 H new ATOM 0 HB2 ASP A 65 7.937 -12.582 18.369 1.00 10.00 H new ATOM 0 HB3 ASP A 65 6.630 -13.716 18.093 1.00 10.00 H new ATOM 1043 N ALA A 66 4.753 -11.400 15.425 1.00 10.00 N ATOM 1044 CA ALA A 66 3.711 -11.661 14.426 1.00 10.00 C ATOM 1045 C ALA A 66 4.070 -12.806 13.445 1.00 10.00 C ATOM 1046 O ALA A 66 5.114 -13.445 13.559 1.00 10.00 O ATOM 1047 CB ALA A 66 3.451 -10.342 13.686 1.00 10.00 C ATOM 0 H ALA A 66 5.244 -10.522 15.257 1.00 10.00 H new ATOM 0 HA ALA A 66 2.811 -12.009 14.932 1.00 10.00 H new ATOM 0 HB1 ALA A 66 2.679 -10.494 12.931 1.00 10.00 H new ATOM 0 HB2 ALA A 66 3.119 -9.585 14.397 1.00 10.00 H new ATOM 0 HB3 ALA A 66 4.370 -10.008 13.203 1.00 10.00 H new ATOM 1053 N ASP A 67 3.233 -13.043 12.425 1.00 10.00 N ATOM 1054 CA ASP A 67 3.366 -14.228 11.571 1.00 10.00 C ATOM 1055 C ASP A 67 4.376 -13.996 10.422 1.00 10.00 C ATOM 1056 O ASP A 67 4.429 -12.895 9.857 1.00 10.00 O ATOM 1057 CB ASP A 67 2.000 -14.565 10.952 1.00 10.00 C ATOM 1058 CG ASP A 67 0.926 -14.844 12.003 1.00 10.00 C ATOM 1059 OD1 ASP A 67 0.386 -13.849 12.536 1.00 10.00 O ATOM 1060 OD2 ASP A 67 0.658 -16.041 12.245 1.00 10.00 O ATOM 0 H ASP A 67 2.458 -12.430 12.173 1.00 10.00 H new ATOM 0 HA ASP A 67 3.728 -15.046 12.194 1.00 10.00 H new ATOM 0 HB2 ASP A 67 1.678 -13.737 10.321 1.00 10.00 H new ATOM 0 HB3 ASP A 67 2.104 -15.436 10.305 1.00 10.00 H new ATOM 1065 N PRO A 68 5.164 -15.028 10.036 1.00 10.00 N ATOM 1066 CA PRO A 68 6.288 -14.946 9.090 1.00 10.00 C ATOM 1067 C PRO A 68 5.838 -14.781 7.622 1.00 10.00 C ATOM 1068 O PRO A 68 6.095 -15.619 6.760 1.00 10.00 O ATOM 1069 CB PRO A 68 7.120 -16.211 9.349 1.00 10.00 C ATOM 1070 CG PRO A 68 6.066 -17.229 9.768 1.00 10.00 C ATOM 1071 CD PRO A 68 5.105 -16.377 10.593 1.00 10.00 C ATOM 0 HA PRO A 68 6.885 -14.048 9.252 1.00 10.00 H new ATOM 0 HB2 PRO A 68 7.659 -16.530 8.457 1.00 10.00 H new ATOM 0 HB3 PRO A 68 7.863 -16.053 10.131 1.00 10.00 H new ATOM 0 HG2 PRO A 68 5.573 -17.682 8.908 1.00 10.00 H new ATOM 0 HG3 PRO A 68 6.495 -18.042 10.354 1.00 10.00 H new ATOM 0 HD2 PRO A 68 4.091 -16.774 10.540 1.00 10.00 H new ATOM 0 HD3 PRO A 68 5.393 -16.376 11.644 1.00 10.00 H new ATOM 1079 N GLY A 69 5.125 -13.686 7.363 1.00 10.00 N ATOM 1080 CA GLY A 69 4.535 -13.317 6.073 1.00 10.00 C ATOM 1081 C GLY A 69 3.506 -12.180 6.151 1.00 10.00 C ATOM 1082 O GLY A 69 3.106 -11.660 5.114 1.00 10.00 O ATOM 0 H GLY A 69 4.932 -12.993 8.086 1.00 10.00 H new ATOM 0 HA2 GLY A 69 5.334 -13.022 5.392 1.00 10.00 H new ATOM 0 HA3 GLY A 69 4.056 -14.196 5.641 1.00 10.00 H new ATOM 1086 N ILE A 70 3.093 -11.760 7.356 1.00 10.00 N ATOM 1087 CA ILE A 70 2.007 -10.799 7.606 1.00 10.00 C ATOM 1088 C ILE A 70 2.162 -9.443 6.884 1.00 10.00 C ATOM 1089 O ILE A 70 1.174 -8.785 6.564 1.00 10.00 O ATOM 1090 CB ILE A 70 1.885 -10.654 9.142 1.00 10.00 C ATOM 1091 CG1 ILE A 70 0.424 -10.513 9.584 1.00 10.00 C ATOM 1092 CG2 ILE A 70 2.777 -9.541 9.722 1.00 10.00 C ATOM 1093 CD1 ILE A 70 0.304 -10.678 11.104 1.00 10.00 C ATOM 0 H ILE A 70 3.524 -12.094 8.218 1.00 10.00 H new ATOM 0 HA ILE A 70 1.084 -11.186 7.175 1.00 10.00 H new ATOM 0 HB ILE A 70 2.265 -11.584 9.564 1.00 10.00 H new ATOM 0 HG12 ILE A 70 0.041 -9.537 9.287 1.00 10.00 H new ATOM 0 HG13 ILE A 70 -0.188 -11.262 9.082 1.00 10.00 H new ATOM 0 HG21 ILE A 70 2.643 -9.493 10.803 1.00 10.00 H new ATOM 0 HG22 ILE A 70 3.821 -9.756 9.495 1.00 10.00 H new ATOM 0 HG23 ILE A 70 2.499 -8.584 9.279 1.00 10.00 H new ATOM 0 HD11 ILE A 70 -0.740 -10.575 11.400 1.00 10.00 H new ATOM 0 HD12 ILE A 70 0.667 -11.664 11.393 1.00 10.00 H new ATOM 0 HD13 ILE A 70 0.899 -9.912 11.601 1.00 10.00 H new ATOM 1105 N VAL A 71 3.409 -9.038 6.613 1.00 10.00 N ATOM 1106 CA VAL A 71 3.771 -7.843 5.840 1.00 10.00 C ATOM 1107 C VAL A 71 3.627 -8.100 4.344 1.00 10.00 C ATOM 1108 O VAL A 71 2.965 -7.330 3.657 1.00 10.00 O ATOM 1109 CB VAL A 71 5.230 -7.463 6.134 1.00 10.00 C ATOM 1110 CG1 VAL A 71 5.748 -6.337 5.234 1.00 10.00 C ATOM 1111 CG2 VAL A 71 5.409 -7.044 7.596 1.00 10.00 C ATOM 0 H VAL A 71 4.226 -9.554 6.939 1.00 10.00 H new ATOM 0 HA VAL A 71 3.101 -7.034 6.130 1.00 10.00 H new ATOM 0 HB VAL A 71 5.813 -8.360 5.927 1.00 10.00 H new ATOM 0 HG11 VAL A 71 6.784 -6.114 5.490 1.00 10.00 H new ATOM 0 HG12 VAL A 71 5.691 -6.649 4.191 1.00 10.00 H new ATOM 0 HG13 VAL A 71 5.138 -5.445 5.379 1.00 10.00 H new ATOM 0 HG21 VAL A 71 6.452 -6.781 7.774 1.00 10.00 H new ATOM 0 HG22 VAL A 71 4.776 -6.182 7.808 1.00 10.00 H new ATOM 0 HG23 VAL A 71 5.127 -7.870 8.248 1.00 10.00 H new ATOM 1121 N ASP A 72 4.229 -9.183 3.843 1.00 10.00 N ATOM 1122 CA ASP A 72 4.105 -9.627 2.452 1.00 10.00 C ATOM 1123 C ASP A 72 2.632 -9.781 2.044 1.00 10.00 C ATOM 1124 O ASP A 72 2.250 -9.319 0.971 1.00 10.00 O ATOM 1125 CB ASP A 72 4.897 -10.929 2.267 1.00 10.00 C ATOM 1126 CG ASP A 72 5.007 -11.332 0.796 1.00 10.00 C ATOM 1127 OD1 ASP A 72 5.657 -10.569 0.049 1.00 10.00 O ATOM 1128 OD2 ASP A 72 4.466 -12.405 0.451 1.00 10.00 O ATOM 0 H ASP A 72 4.828 -9.788 4.405 1.00 10.00 H new ATOM 0 HA ASP A 72 4.526 -8.869 1.791 1.00 10.00 H new ATOM 0 HB2 ASP A 72 5.896 -10.807 2.685 1.00 10.00 H new ATOM 0 HB3 ASP A 72 4.413 -11.730 2.826 1.00 10.00 H new ATOM 1133 N GLU A 73 1.780 -10.268 2.961 1.00 10.00 N ATOM 1134 CA GLU A 73 0.328 -10.288 2.764 1.00 10.00 C ATOM 1135 C GLU A 73 -0.256 -8.872 2.654 1.00 10.00 C ATOM 1136 O GLU A 73 -1.149 -8.657 1.838 1.00 10.00 O ATOM 1137 CB GLU A 73 -0.386 -10.941 3.955 1.00 10.00 C ATOM 1138 CG GLU A 73 -0.202 -12.442 4.183 1.00 10.00 C ATOM 1139 CD GLU A 73 -1.149 -12.905 5.302 1.00 10.00 C ATOM 1140 OE1 GLU A 73 -1.206 -12.258 6.373 1.00 10.00 O ATOM 1141 OE2 GLU A 73 -1.889 -13.894 5.106 1.00 10.00 O ATOM 0 H GLU A 73 2.080 -10.657 3.855 1.00 10.00 H new ATOM 0 HA GLU A 73 0.169 -10.848 1.843 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -0.061 -10.426 4.859 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -1.454 -10.751 3.846 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -0.411 -12.990 3.264 1.00 10.00 H new ATOM 0 HG3 GLU A 73 0.832 -12.656 4.454 1.00 10.00 H new ATOM 1148 N ALA A 74 0.232 -7.896 3.436 1.00 10.00 N ATOM 1149 CA ALA A 74 -0.266 -6.521 3.355 1.00 10.00 C ATOM 1150 C ALA A 74 0.122 -5.862 2.027 1.00 10.00 C ATOM 1151 O ALA A 74 -0.695 -5.176 1.409 1.00 10.00 O ATOM 1152 CB ALA A 74 0.265 -5.696 4.534 1.00 10.00 C ATOM 0 H ALA A 74 0.968 -8.036 4.128 1.00 10.00 H new ATOM 0 HA ALA A 74 -1.354 -6.555 3.404 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.112 -4.676 4.463 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -0.070 -6.142 5.470 1.00 10.00 H new ATOM 0 HB3 ALA A 74 1.355 -5.683 4.508 1.00 10.00 H new ATOM 1158 N VAL A 75 1.361 -6.087 1.573 1.00 10.00 N ATOM 1159 CA VAL A 75 1.853 -5.532 0.309 1.00 10.00 C ATOM 1160 C VAL A 75 1.185 -6.231 -0.890 1.00 10.00 C ATOM 1161 O VAL A 75 0.726 -5.540 -1.794 1.00 10.00 O ATOM 1162 CB VAL A 75 3.395 -5.543 0.249 1.00 10.00 C ATOM 1163 CG1 VAL A 75 3.878 -4.705 -0.936 1.00 10.00 C ATOM 1164 CG2 VAL A 75 4.032 -4.896 1.493 1.00 10.00 C ATOM 0 H VAL A 75 2.047 -6.656 2.070 1.00 10.00 H new ATOM 0 HA VAL A 75 1.566 -4.482 0.253 1.00 10.00 H new ATOM 0 HB VAL A 75 3.685 -6.591 0.172 1.00 10.00 H new ATOM 0 HG11 VAL A 75 4.967 -4.718 -0.971 1.00 10.00 H new ATOM 0 HG12 VAL A 75 3.480 -5.121 -1.862 1.00 10.00 H new ATOM 0 HG13 VAL A 75 3.531 -3.678 -0.821 1.00 10.00 H new ATOM 0 HG21 VAL A 75 5.118 -4.928 1.404 1.00 10.00 H new ATOM 0 HG22 VAL A 75 3.705 -3.859 1.572 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.725 -5.442 2.385 1.00 10.00 H new ATOM 1174 N ASP A 76 1.000 -7.559 -0.870 1.00 10.00 N ATOM 1175 CA ASP A 76 0.181 -8.308 -1.837 1.00 10.00 C ATOM 1176 C ASP A 76 -1.275 -7.818 -1.847 1.00 10.00 C ATOM 1177 O ASP A 76 -1.839 -7.586 -2.919 1.00 10.00 O ATOM 1178 CB ASP A 76 0.241 -9.804 -1.480 1.00 10.00 C ATOM 1179 CG ASP A 76 -0.827 -10.640 -2.190 1.00 10.00 C ATOM 1180 OD1 ASP A 76 -0.927 -10.586 -3.435 1.00 10.00 O ATOM 1181 OD2 ASP A 76 -1.609 -11.319 -1.490 1.00 10.00 O ATOM 0 H ASP A 76 1.426 -8.158 -0.163 1.00 10.00 H new ATOM 0 HA ASP A 76 0.581 -8.144 -2.838 1.00 10.00 H new ATOM 0 HB2 ASP A 76 1.227 -10.192 -1.737 1.00 10.00 H new ATOM 0 HB3 ASP A 76 0.125 -9.918 -0.402 1.00 10.00 H new ATOM 1186 N ALA A 77 -1.864 -7.570 -0.673 1.00 10.00 N ATOM 1187 CA ALA A 77 -3.208 -7.011 -0.577 1.00 10.00 C ATOM 1188 C ALA A 77 -3.268 -5.608 -1.194 1.00 10.00 C ATOM 1189 O ALA A 77 -4.230 -5.311 -1.905 1.00 10.00 O ATOM 1190 CB ALA A 77 -3.676 -7.009 0.881 1.00 10.00 C ATOM 0 H ALA A 77 -1.423 -7.751 0.229 1.00 10.00 H new ATOM 0 HA ALA A 77 -3.889 -7.641 -1.149 1.00 10.00 H new ATOM 0 HB1 ALA A 77 -4.680 -6.590 0.940 1.00 10.00 H new ATOM 0 HB2 ALA A 77 -3.686 -8.030 1.261 1.00 10.00 H new ATOM 0 HB3 ALA A 77 -2.995 -6.405 1.481 1.00 10.00 H new ATOM 1196 N ALA A 78 -2.241 -4.768 -1.000 1.00 10.00 N ATOM 1197 CA ALA A 78 -2.117 -3.494 -1.704 1.00 10.00 C ATOM 1198 C ALA A 78 -1.947 -3.674 -3.220 1.00 10.00 C ATOM 1199 O ALA A 78 -2.651 -3.004 -3.974 1.00 10.00 O ATOM 1200 CB ALA A 78 -0.978 -2.669 -1.093 1.00 10.00 C ATOM 0 H ALA A 78 -1.477 -4.957 -0.351 1.00 10.00 H new ATOM 0 HA ALA A 78 -3.050 -2.946 -1.575 1.00 10.00 H new ATOM 0 HB1 ALA A 78 -0.891 -1.720 -1.623 1.00 10.00 H new ATOM 0 HB2 ALA A 78 -1.190 -2.479 -0.041 1.00 10.00 H new ATOM 0 HB3 ALA A 78 -0.042 -3.220 -1.180 1.00 10.00 H new ATOM 1206 N TYR A 79 -1.092 -4.598 -3.683 1.00 10.00 N ATOM 1207 CA TYR A 79 -0.880 -4.810 -5.118 1.00 10.00 C ATOM 1208 C TYR A 79 -2.135 -5.342 -5.823 1.00 10.00 C ATOM 1209 O TYR A 79 -2.511 -4.812 -6.868 1.00 10.00 O ATOM 1210 CB TYR A 79 0.227 -5.862 -5.322 1.00 10.00 C ATOM 1211 CG TYR A 79 1.664 -5.423 -5.117 1.00 10.00 C ATOM 1212 CD1 TYR A 79 2.200 -4.411 -5.939 1.00 10.00 C ATOM 1213 CD2 TYR A 79 2.498 -6.112 -4.209 1.00 10.00 C ATOM 1214 CE1 TYR A 79 3.566 -4.082 -5.866 1.00 10.00 C ATOM 1215 CE2 TYR A 79 3.875 -5.815 -4.170 1.00 10.00 C ATOM 1216 CZ TYR A 79 4.409 -4.795 -4.986 1.00 10.00 C ATOM 1217 OH TYR A 79 5.737 -4.507 -4.927 1.00 10.00 O ATOM 0 H TYR A 79 -0.538 -5.209 -3.083 1.00 10.00 H new ATOM 0 HA TYR A 79 -0.613 -3.842 -5.542 1.00 10.00 H new ATOM 0 HB2 TYR A 79 0.030 -6.692 -4.643 1.00 10.00 H new ATOM 0 HB3 TYR A 79 0.137 -6.251 -6.336 1.00 10.00 H new ATOM 0 HD1 TYR A 79 1.558 -3.885 -6.630 1.00 10.00 H new ATOM 0 HD2 TYR A 79 2.084 -6.861 -3.550 1.00 10.00 H new ATOM 0 HE1 TYR A 79 3.967 -3.289 -6.479 1.00 10.00 H new ATOM 0 HE2 TYR A 79 4.526 -6.371 -3.512 1.00 10.00 H new ATOM 0 HH TYR A 79 6.169 -5.091 -4.269 1.00 10.00 H new ATOM 1227 N ARG A 80 -2.839 -6.315 -5.228 1.00 10.00 N ATOM 1228 CA ARG A 80 -4.098 -6.838 -5.771 1.00 10.00 C ATOM 1229 C ARG A 80 -5.274 -5.870 -5.619 1.00 10.00 C ATOM 1230 O ARG A 80 -6.157 -5.848 -6.481 1.00 10.00 O ATOM 1231 CB ARG A 80 -4.357 -8.269 -5.271 1.00 10.00 C ATOM 1232 CG ARG A 80 -3.311 -9.213 -5.903 1.00 10.00 C ATOM 1233 CD ARG A 80 -3.658 -10.698 -5.767 1.00 10.00 C ATOM 1234 NE ARG A 80 -3.386 -11.215 -4.414 1.00 10.00 N ATOM 1235 CZ ARG A 80 -4.070 -12.141 -3.757 1.00 10.00 C ATOM 1236 NH1 ARG A 80 -5.142 -12.707 -4.265 1.00 10.00 N ATOM 1237 NH2 ARG A 80 -3.691 -12.534 -2.569 1.00 10.00 N ATOM 0 H ARG A 80 -2.551 -6.761 -4.357 1.00 10.00 H new ATOM 0 HA ARG A 80 -3.991 -6.917 -6.853 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -4.291 -8.307 -4.184 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -5.364 -8.587 -5.541 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -3.207 -8.969 -6.960 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -2.343 -9.031 -5.437 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -4.711 -10.846 -6.005 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -3.083 -11.271 -6.495 1.00 10.00 H new ATOM 0 HE ARG A 80 -2.582 -10.816 -3.929 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -5.471 -12.437 -5.192 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -5.645 -13.417 -3.732 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -2.861 -12.127 -2.138 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -4.226 -13.247 -2.073 1.00 10.00 H new ATOM 1251 N SER A 81 -5.271 -5.019 -4.584 1.00 10.00 N ATOM 1252 CA SER A 81 -6.227 -3.907 -4.479 1.00 10.00 C ATOM 1253 C SER A 81 -5.970 -2.866 -5.567 1.00 10.00 C ATOM 1254 O SER A 81 -6.920 -2.417 -6.201 1.00 10.00 O ATOM 1255 CB SER A 81 -6.169 -3.216 -3.113 1.00 10.00 C ATOM 1256 OG SER A 81 -6.440 -4.140 -2.084 1.00 10.00 O ATOM 0 H SER A 81 -4.615 -5.079 -3.805 1.00 10.00 H new ATOM 0 HA SER A 81 -7.218 -4.342 -4.604 1.00 10.00 H new ATOM 0 HB2 SER A 81 -5.184 -2.774 -2.963 1.00 10.00 H new ATOM 0 HB3 SER A 81 -6.893 -2.402 -3.079 1.00 10.00 H new ATOM 0 HG SER A 81 -5.797 -4.878 -2.130 1.00 10.00 H new ATOM 1262 N LEU A 82 -4.702 -2.519 -5.827 1.00 10.00 N ATOM 1263 CA LEU A 82 -4.317 -1.609 -6.902 1.00 10.00 C ATOM 1264 C LEU A 82 -4.670 -2.173 -8.278 1.00 10.00 C ATOM 1265 O LEU A 82 -5.232 -1.448 -9.091 1.00 10.00 O ATOM 1266 CB LEU A 82 -2.813 -1.312 -6.809 1.00 10.00 C ATOM 1267 CG LEU A 82 -2.311 -0.248 -7.806 1.00 10.00 C ATOM 1268 CD1 LEU A 82 -3.001 1.112 -7.638 1.00 10.00 C ATOM 1269 CD2 LEU A 82 -0.804 -0.058 -7.632 1.00 10.00 C ATOM 0 H LEU A 82 -3.910 -2.869 -5.288 1.00 10.00 H new ATOM 0 HA LEU A 82 -4.879 -0.683 -6.782 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -2.582 -0.981 -5.796 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -2.261 -2.237 -6.975 1.00 10.00 H new ATOM 0 HG LEU A 82 -2.552 -0.616 -8.803 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -2.602 1.815 -8.369 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -4.074 0.997 -7.792 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -2.818 1.491 -6.633 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -0.448 0.694 -8.336 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -0.594 0.270 -6.614 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -0.294 -1.003 -7.821 1.00 10.00 H new ATOM 1281 N GLU A 83 -4.389 -3.454 -8.529 1.00 10.00 N ATOM 1282 CA GLU A 83 -4.769 -4.128 -9.774 1.00 10.00 C ATOM 1283 C GLU A 83 -6.296 -4.138 -9.956 1.00 10.00 C ATOM 1284 O GLU A 83 -6.789 -3.730 -11.007 1.00 10.00 O ATOM 1285 CB GLU A 83 -4.193 -5.550 -9.670 1.00 10.00 C ATOM 1286 CG GLU A 83 -4.461 -6.484 -10.853 1.00 10.00 C ATOM 1287 CD GLU A 83 -3.779 -7.840 -10.609 1.00 10.00 C ATOM 1288 OE1 GLU A 83 -4.127 -8.494 -9.597 1.00 10.00 O ATOM 1289 OE2 GLU A 83 -2.888 -8.196 -11.413 1.00 10.00 O ATOM 0 H GLU A 83 -3.890 -4.055 -7.873 1.00 10.00 H new ATOM 0 HA GLU A 83 -4.375 -3.611 -10.649 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -3.114 -5.472 -9.535 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -4.594 -6.016 -8.770 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -5.534 -6.624 -10.982 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -4.085 -6.038 -11.773 1.00 10.00 H new ATOM 1296 N SER A 84 -7.047 -4.394 -8.874 1.00 10.00 N ATOM 1297 CA SER A 84 -8.517 -4.383 -8.881 1.00 10.00 C ATOM 1298 C SER A 84 -9.085 -2.972 -9.089 1.00 10.00 C ATOM 1299 O SER A 84 -10.108 -2.796 -9.745 1.00 10.00 O ATOM 1300 CB SER A 84 -9.065 -4.943 -7.561 1.00 10.00 C ATOM 1301 OG SER A 84 -8.548 -6.227 -7.269 1.00 10.00 O ATOM 0 H SER A 84 -6.647 -4.616 -7.962 1.00 10.00 H new ATOM 0 HA SER A 84 -8.830 -5.009 -9.716 1.00 10.00 H new ATOM 0 HB2 SER A 84 -8.817 -4.260 -6.748 1.00 10.00 H new ATOM 0 HB3 SER A 84 -10.152 -4.995 -7.614 1.00 10.00 H new ATOM 0 HG SER A 84 -7.792 -6.143 -6.651 1.00 10.00 H new ATOM 1307 N PHE A 85 -8.419 -1.957 -8.529 1.00 10.00 N ATOM 1308 CA PHE A 85 -8.742 -0.544 -8.709 1.00 10.00 C ATOM 1309 C PHE A 85 -8.418 -0.073 -10.135 1.00 10.00 C ATOM 1310 O PHE A 85 -9.236 0.609 -10.750 1.00 10.00 O ATOM 1311 CB PHE A 85 -7.939 0.222 -7.641 1.00 10.00 C ATOM 1312 CG PHE A 85 -7.951 1.738 -7.677 1.00 10.00 C ATOM 1313 CD1 PHE A 85 -7.119 2.426 -8.582 1.00 10.00 C ATOM 1314 CD2 PHE A 85 -8.685 2.460 -6.716 1.00 10.00 C ATOM 1315 CE1 PHE A 85 -7.018 3.827 -8.523 1.00 10.00 C ATOM 1316 CE2 PHE A 85 -8.583 3.862 -6.658 1.00 10.00 C ATOM 1317 CZ PHE A 85 -7.747 4.545 -7.559 1.00 10.00 C ATOM 0 H PHE A 85 -7.615 -2.105 -7.919 1.00 10.00 H new ATOM 0 HA PHE A 85 -9.809 -0.361 -8.584 1.00 10.00 H new ATOM 0 HB2 PHE A 85 -8.306 -0.089 -6.663 1.00 10.00 H new ATOM 0 HB3 PHE A 85 -6.901 -0.103 -7.710 1.00 10.00 H new ATOM 0 HD1 PHE A 85 -6.558 1.876 -9.323 1.00 10.00 H new ATOM 0 HD2 PHE A 85 -9.327 1.937 -6.023 1.00 10.00 H new ATOM 0 HE1 PHE A 85 -6.380 4.352 -9.219 1.00 10.00 H new ATOM 0 HE2 PHE A 85 -9.147 4.414 -5.921 1.00 10.00 H new ATOM 0 HZ PHE A 85 -7.665 5.621 -7.510 1.00 10.00 H new ATOM 1327 N LEU A 86 -7.273 -0.479 -10.701 1.00 10.00 N ATOM 1328 CA LEU A 86 -6.855 -0.079 -12.047 1.00 10.00 C ATOM 1329 C LEU A 86 -7.693 -0.772 -13.131 1.00 10.00 C ATOM 1330 O LEU A 86 -8.011 -0.140 -14.140 1.00 10.00 O ATOM 1331 CB LEU A 86 -5.344 -0.322 -12.216 1.00 10.00 C ATOM 1332 CG LEU A 86 -4.646 0.669 -13.164 1.00 10.00 C ATOM 1333 CD1 LEU A 86 -4.622 2.101 -12.602 1.00 10.00 C ATOM 1334 CD2 LEU A 86 -3.194 0.227 -13.369 1.00 10.00 C ATOM 0 H LEU A 86 -6.609 -1.097 -10.234 1.00 10.00 H new ATOM 0 HA LEU A 86 -7.037 0.988 -12.172 1.00 10.00 H new ATOM 0 HB2 LEU A 86 -4.867 -0.268 -11.237 1.00 10.00 H new ATOM 0 HB3 LEU A 86 -5.190 -1.334 -12.590 1.00 10.00 H new ATOM 0 HG LEU A 86 -5.208 0.671 -14.098 1.00 10.00 H new ATOM 0 HD11 LEU A 86 -4.119 2.761 -13.309 1.00 10.00 H new ATOM 0 HD12 LEU A 86 -5.644 2.448 -12.446 1.00 10.00 H new ATOM 0 HD13 LEU A 86 -4.087 2.110 -11.653 1.00 10.00 H new ATOM 0 HD21 LEU A 86 -2.693 0.925 -14.040 1.00 10.00 H new ATOM 0 HD22 LEU A 86 -2.679 0.213 -12.409 1.00 10.00 H new ATOM 0 HD23 LEU A 86 -3.176 -0.772 -13.805 1.00 10.00 H new