USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 649 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 TYR OH : rot -60:sc= 1.18 USER MOD Set 1.2: A 55 GLN :FLIP amide:sc= -1.86 F(o=-6.2!,f=-0.68) USER MOD Set 2.1: A 25 GLN : amide:sc= -0.385 K(o=-9.8,f=-12!) USER MOD Set 2.2: A 37 MET CE :methyl -124:sc= -9.43! (180deg=-8.77!) USER MOD Single : A 8 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000975) USER MOD Single : A 12 SER OG : rot 85:sc= 0.085 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 170:sc= -1.1 USER MOD Single : A 23 ASN : amide:sc= 1.18 K(o=1.2,f=-0.021) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -63:sc= 0.382 USER MOD Single : A 45 MET CE :methyl -161:sc= -0.522 (180deg=-1.46!) USER MOD Single : A 46 ASN : amide:sc= -0.503 X(o=-0.5,f=-0.22) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0.223 K(o=0.22,f=-1.4) USER MOD Single : A 52 TYR OH : rot 111:sc= -1.92! USER MOD Single : A 54 GLN : amide:sc= 0.195 X(o=0.2,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.087) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.0958 X(o=-0.096,f=0) USER MOD Single : A 75 ASN : amide:sc= 0.0153 X(o=0.015,f=-0.12) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0468 X(o=-0.047,f=-0.035) USER MOD Single : A 84 LYS NZ :NH3+ -150:sc= -0.229 (180deg=-0.863) USER MOD Single : A 85 TYR OH : rot -123:sc= -1.68! USER MOD ----------------------------------------------------------------- ATOM 87 N LYS A 8 5.507 21.318 -1.154 1.00 0.00 N ATOM 88 CA LYS A 8 6.084 20.258 -1.969 1.00 0.00 C ATOM 89 C LYS A 8 6.800 19.236 -1.093 1.00 0.00 C ATOM 90 O LYS A 8 6.899 18.062 -1.448 1.00 0.00 O ATOM 91 CB LYS A 8 7.055 20.846 -2.995 1.00 0.00 C ATOM 92 CG LYS A 8 6.504 20.862 -4.412 1.00 0.00 C ATOM 93 CD LYS A 8 7.157 19.794 -5.277 1.00 0.00 C ATOM 94 CE LYS A 8 6.176 19.215 -6.283 1.00 0.00 C ATOM 95 NZ LYS A 8 5.751 20.225 -7.292 1.00 0.00 N ATOM 0 HA LYS A 8 5.276 19.754 -2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.309 21.864 -2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.980 20.270 -2.980 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.426 20.702 -4.386 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.670 21.843 -4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.010 20.222 -5.804 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.542 18.996 -4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.635 18.367 -6.790 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.299 18.836 -5.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.096 19.785 -7.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.275 21.015 -6.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.586 20.581 -7.800 1.00 0.00 H new ATOM 109 N ASP A 9 7.298 19.689 0.054 1.00 0.00 N ATOM 110 CA ASP A 9 8.002 18.807 0.975 1.00 0.00 C ATOM 111 C ASP A 9 7.033 17.822 1.616 1.00 0.00 C ATOM 112 O ASP A 9 7.315 16.626 1.693 1.00 0.00 O ATOM 113 CB ASP A 9 8.723 19.619 2.052 1.00 0.00 C ATOM 114 CG ASP A 9 10.228 19.624 1.862 1.00 0.00 C ATOM 115 OD1 ASP A 9 10.851 18.554 2.027 1.00 0.00 O ATOM 116 OD2 ASP A 9 10.782 20.698 1.547 1.00 0.00 O ATOM 0 H ASP A 9 7.227 20.658 0.366 1.00 0.00 H new ATOM 0 HA ASP A 9 8.746 18.245 0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.354 20.645 2.038 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.485 19.208 3.033 1.00 0.00 H new ATOM 121 N LEU A 10 5.883 18.321 2.060 1.00 0.00 N ATOM 122 CA LEU A 10 4.882 17.458 2.672 1.00 0.00 C ATOM 123 C LEU A 10 4.425 16.416 1.665 1.00 0.00 C ATOM 124 O LEU A 10 4.296 15.236 1.992 1.00 0.00 O ATOM 125 CB LEU A 10 3.677 18.268 3.164 1.00 0.00 C ATOM 126 CG LEU A 10 3.192 17.933 4.579 1.00 0.00 C ATOM 127 CD1 LEU A 10 3.075 16.430 4.772 1.00 0.00 C ATOM 128 CD2 LEU A 10 4.120 18.532 5.623 1.00 0.00 C ATOM 0 H LEU A 10 5.624 19.306 2.008 1.00 0.00 H new ATOM 0 HA LEU A 10 5.334 16.966 3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.933 19.327 3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.851 18.116 2.470 1.00 0.00 H new ATOM 0 HG LEU A 10 2.202 18.371 4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.729 16.219 5.784 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.363 16.025 4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.049 15.966 4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.756 18.282 6.620 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.124 18.129 5.491 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.146 19.616 5.508 1.00 0.00 H new ATOM 140 N ILE A 11 4.191 16.856 0.431 1.00 0.00 N ATOM 141 CA ILE A 11 3.760 15.942 -0.611 1.00 0.00 C ATOM 142 C ILE A 11 4.851 14.918 -0.886 1.00 0.00 C ATOM 143 O ILE A 11 4.602 13.716 -0.829 1.00 0.00 O ATOM 144 CB ILE A 11 3.416 16.689 -1.914 1.00 0.00 C ATOM 145 CG1 ILE A 11 2.402 17.800 -1.634 1.00 0.00 C ATOM 146 CG2 ILE A 11 2.875 15.722 -2.957 1.00 0.00 C ATOM 147 CD1 ILE A 11 1.085 17.293 -1.088 1.00 0.00 C ATOM 0 H ILE A 11 4.292 17.827 0.135 1.00 0.00 H new ATOM 0 HA ILE A 11 2.859 15.439 -0.259 1.00 0.00 H new ATOM 0 HB ILE A 11 4.327 17.141 -2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.834 18.504 -0.923 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.216 18.352 -2.556 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.638 16.267 -3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.626 14.962 -3.173 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.973 15.243 -2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.415 18.135 -0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.631 16.612 -1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.259 16.767 -0.149 1.00 0.00 H new ATOM 159 N SER A 12 6.062 15.389 -1.186 1.00 0.00 N ATOM 160 CA SER A 12 7.174 14.490 -1.466 1.00 0.00 C ATOM 161 C SER A 12 7.428 13.555 -0.290 1.00 0.00 C ATOM 162 O SER A 12 7.836 12.411 -0.474 1.00 0.00 O ATOM 163 CB SER A 12 8.439 15.290 -1.776 1.00 0.00 C ATOM 164 OG SER A 12 8.358 15.901 -3.053 1.00 0.00 O ATOM 0 H SER A 12 6.294 16.381 -1.240 1.00 0.00 H new ATOM 0 HA SER A 12 6.910 13.888 -2.336 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.586 16.054 -1.013 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.307 14.632 -1.739 1.00 0.00 H new ATOM 0 HG SER A 12 7.886 16.756 -2.977 1.00 0.00 H new ATOM 170 N ALA A 13 7.191 14.052 0.919 1.00 0.00 N ATOM 171 CA ALA A 13 7.406 13.248 2.114 1.00 0.00 C ATOM 172 C ALA A 13 6.430 12.086 2.161 1.00 0.00 C ATOM 173 O ALA A 13 6.818 10.953 2.442 1.00 0.00 O ATOM 174 CB ALA A 13 7.300 14.099 3.369 1.00 0.00 C ATOM 0 H ALA A 13 6.853 14.998 1.096 1.00 0.00 H new ATOM 0 HA ALA A 13 8.416 12.841 2.072 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.465 13.474 4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.052 14.888 3.338 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.307 14.546 3.423 1.00 0.00 H new ATOM 180 N GLY A 14 5.177 12.359 1.831 1.00 0.00 N ATOM 181 CA GLY A 14 4.191 11.299 1.791 1.00 0.00 C ATOM 182 C GLY A 14 4.462 10.404 0.608 1.00 0.00 C ATOM 183 O GLY A 14 4.343 9.183 0.679 1.00 0.00 O ATOM 0 H GLY A 14 4.827 13.287 1.592 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.226 10.720 2.714 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.189 11.722 1.718 1.00 0.00 H new ATOM 187 N LEU A 15 4.859 11.051 -0.478 1.00 0.00 N ATOM 188 CA LEU A 15 5.196 10.357 -1.706 1.00 0.00 C ATOM 189 C LEU A 15 6.252 9.303 -1.418 1.00 0.00 C ATOM 190 O LEU A 15 6.027 8.114 -1.635 1.00 0.00 O ATOM 191 CB LEU A 15 5.679 11.337 -2.770 1.00 0.00 C ATOM 192 CG LEU A 15 4.673 11.631 -3.884 1.00 0.00 C ATOM 193 CD1 LEU A 15 4.470 10.405 -4.760 1.00 0.00 C ATOM 194 CD2 LEU A 15 3.346 12.092 -3.298 1.00 0.00 C ATOM 0 H LEU A 15 4.955 12.065 -0.530 1.00 0.00 H new ATOM 0 HA LEU A 15 4.303 9.867 -2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.944 12.276 -2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.590 10.942 -3.219 1.00 0.00 H new ATOM 0 HG LEU A 15 5.074 12.433 -4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.751 10.635 -5.546 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.420 10.118 -5.210 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.093 9.582 -4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.643 12.296 -4.106 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.942 11.311 -2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.502 12.999 -2.714 1.00 0.00 H new ATOM 206 N LYS A 16 7.401 9.741 -0.919 1.00 0.00 N ATOM 207 CA LYS A 16 8.477 8.818 -0.594 1.00 0.00 C ATOM 208 C LYS A 16 8.002 7.806 0.443 1.00 0.00 C ATOM 209 O LYS A 16 8.413 6.646 0.432 1.00 0.00 O ATOM 210 CB LYS A 16 9.701 9.586 -0.081 1.00 0.00 C ATOM 211 CG LYS A 16 10.759 8.705 0.568 1.00 0.00 C ATOM 212 CD LYS A 16 11.823 9.532 1.275 1.00 0.00 C ATOM 213 CE LYS A 16 12.505 10.506 0.326 1.00 0.00 C ATOM 214 NZ LYS A 16 12.326 11.920 0.758 1.00 0.00 N ATOM 0 H LYS A 16 7.610 10.722 -0.732 1.00 0.00 H new ATOM 0 HA LYS A 16 8.766 8.280 -1.497 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.153 10.126 -0.913 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.372 10.333 0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.285 8.034 1.284 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.229 8.080 -0.192 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.367 10.084 2.097 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.569 8.868 1.712 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.569 10.275 0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.099 10.379 -0.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.805 12.552 0.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.312 12.149 0.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.736 12.048 1.705 1.00 0.00 H new ATOM 228 N GLU A 17 7.123 8.253 1.333 1.00 0.00 N ATOM 229 CA GLU A 17 6.581 7.385 2.369 1.00 0.00 C ATOM 230 C GLU A 17 5.821 6.221 1.750 1.00 0.00 C ATOM 231 O GLU A 17 6.030 5.063 2.114 1.00 0.00 O ATOM 232 CB GLU A 17 5.657 8.169 3.303 1.00 0.00 C ATOM 233 CG GLU A 17 5.862 7.847 4.774 1.00 0.00 C ATOM 234 CD GLU A 17 7.201 8.331 5.294 1.00 0.00 C ATOM 235 OE1 GLU A 17 7.285 9.505 5.714 1.00 0.00 O ATOM 236 OE2 GLU A 17 8.166 7.539 5.281 1.00 0.00 O ATOM 0 H GLU A 17 6.772 9.210 1.357 1.00 0.00 H new ATOM 0 HA GLU A 17 7.416 6.993 2.949 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.818 9.236 3.148 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.621 7.960 3.035 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.063 8.304 5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.787 6.769 4.920 1.00 0.00 H new ATOM 243 N PHE A 18 4.935 6.536 0.813 1.00 0.00 N ATOM 244 CA PHE A 18 4.140 5.513 0.149 1.00 0.00 C ATOM 245 C PHE A 18 4.998 4.698 -0.812 1.00 0.00 C ATOM 246 O PHE A 18 4.976 3.469 -0.780 1.00 0.00 O ATOM 247 CB PHE A 18 2.960 6.148 -0.595 1.00 0.00 C ATOM 248 CG PHE A 18 1.681 5.352 -0.522 1.00 0.00 C ATOM 249 CD1 PHE A 18 1.349 4.631 0.619 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.809 5.327 -1.599 1.00 0.00 C ATOM 251 CE1 PHE A 18 0.174 3.904 0.679 1.00 0.00 C ATOM 252 CE2 PHE A 18 -0.367 4.602 -1.541 1.00 0.00 C ATOM 253 CZ PHE A 18 -0.684 3.889 -0.402 1.00 0.00 C ATOM 0 H PHE A 18 4.750 7.488 0.497 1.00 0.00 H new ATOM 0 HA PHE A 18 3.748 4.840 0.912 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.780 7.142 -0.186 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.234 6.279 -1.642 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.016 4.639 1.468 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.051 5.880 -2.494 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.072 3.348 1.572 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.038 4.593 -2.387 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.601 3.321 -0.357 1.00 0.00 H new ATOM 263 N SER A 19 5.766 5.382 -1.658 1.00 0.00 N ATOM 264 CA SER A 19 6.633 4.699 -2.610 1.00 0.00 C ATOM 265 C SER A 19 7.562 3.734 -1.884 1.00 0.00 C ATOM 266 O SER A 19 7.756 2.597 -2.315 1.00 0.00 O ATOM 267 CB SER A 19 7.449 5.711 -3.415 1.00 0.00 C ATOM 268 OG SER A 19 8.385 6.381 -2.592 1.00 0.00 O ATOM 0 H SER A 19 5.804 6.400 -1.702 1.00 0.00 H new ATOM 0 HA SER A 19 6.007 4.132 -3.299 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.971 5.200 -4.224 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.780 6.438 -3.876 1.00 0.00 H new ATOM 0 HG SER A 19 8.999 6.901 -3.151 1.00 0.00 H new ATOM 274 N VAL A 20 8.124 4.192 -0.770 1.00 0.00 N ATOM 275 CA VAL A 20 9.019 3.366 0.023 1.00 0.00 C ATOM 276 C VAL A 20 8.229 2.313 0.794 1.00 0.00 C ATOM 277 O VAL A 20 8.745 1.243 1.100 1.00 0.00 O ATOM 278 CB VAL A 20 9.855 4.211 1.008 1.00 0.00 C ATOM 279 CG1 VAL A 20 10.736 3.323 1.875 1.00 0.00 C ATOM 280 CG2 VAL A 20 10.700 5.225 0.251 1.00 0.00 C ATOM 0 H VAL A 20 7.974 5.130 -0.399 1.00 0.00 H new ATOM 0 HA VAL A 20 9.704 2.874 -0.668 1.00 0.00 H new ATOM 0 HB VAL A 20 9.169 4.748 1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.315 3.942 2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.111 2.637 2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.414 2.753 1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.284 5.813 0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.373 4.703 -0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.049 5.887 -0.321 1.00 0.00 H new ATOM 290 N LEU A 21 6.969 2.617 1.099 1.00 0.00 N ATOM 291 CA LEU A 21 6.124 1.677 1.826 1.00 0.00 C ATOM 292 C LEU A 21 5.799 0.470 0.950 1.00 0.00 C ATOM 293 O LEU A 21 5.895 -0.675 1.391 1.00 0.00 O ATOM 294 CB LEU A 21 4.831 2.366 2.269 1.00 0.00 C ATOM 295 CG LEU A 21 3.772 1.441 2.871 1.00 0.00 C ATOM 296 CD1 LEU A 21 4.168 1.023 4.279 1.00 0.00 C ATOM 297 CD2 LEU A 21 2.412 2.124 2.877 1.00 0.00 C ATOM 0 H LEU A 21 6.516 3.498 0.856 1.00 0.00 H new ATOM 0 HA LEU A 21 6.663 1.334 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.080 3.133 3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.398 2.877 1.409 1.00 0.00 H new ATOM 0 HG LEU A 21 3.704 0.545 2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.403 0.365 4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.122 0.496 4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.263 1.908 4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.670 1.453 3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.465 3.036 3.472 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.126 2.373 1.855 1.00 0.00 H new ATOM 309 N LEU A 22 5.419 0.739 -0.294 1.00 0.00 N ATOM 310 CA LEU A 22 5.085 -0.323 -1.235 1.00 0.00 C ATOM 311 C LEU A 22 6.344 -1.061 -1.673 1.00 0.00 C ATOM 312 O LEU A 22 6.322 -2.271 -1.896 1.00 0.00 O ATOM 313 CB LEU A 22 4.358 0.246 -2.459 1.00 0.00 C ATOM 314 CG LEU A 22 3.284 1.292 -2.153 1.00 0.00 C ATOM 315 CD1 LEU A 22 2.444 1.577 -3.390 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.403 0.836 -0.997 1.00 0.00 C ATOM 0 H LEU A 22 5.335 1.682 -0.674 1.00 0.00 H new ATOM 0 HA LEU A 22 4.421 -1.026 -0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.097 0.692 -3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.895 -0.578 -3.002 1.00 0.00 H new ATOM 0 HG LEU A 22 3.781 2.216 -1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.686 2.323 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.086 1.953 -4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.958 0.659 -3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.646 1.594 -0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.916 -0.103 -1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.016 0.690 -0.108 1.00 0.00 H new ATOM 328 N ASN A 23 7.440 -0.320 -1.795 1.00 0.00 N ATOM 329 CA ASN A 23 8.712 -0.899 -2.207 1.00 0.00 C ATOM 330 C ASN A 23 9.446 -1.538 -1.029 1.00 0.00 C ATOM 331 O ASN A 23 10.287 -2.416 -1.220 1.00 0.00 O ATOM 332 CB ASN A 23 9.597 0.168 -2.853 1.00 0.00 C ATOM 333 CG ASN A 23 9.302 0.348 -4.330 1.00 0.00 C ATOM 334 OD1 ASN A 23 9.831 -0.376 -5.173 1.00 0.00 O ATOM 335 ND2 ASN A 23 8.455 1.319 -4.651 1.00 0.00 N ATOM 0 H ASN A 23 7.472 0.683 -1.614 1.00 0.00 H new ATOM 0 HA ASN A 23 8.497 -1.680 -2.936 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.451 1.117 -2.338 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.644 -0.106 -2.725 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.220 1.488 -5.629 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.039 1.896 -3.920 1.00 0.00 H new ATOM 342 N GLN A 24 9.139 -1.090 0.188 1.00 0.00 N ATOM 343 CA GLN A 24 9.795 -1.628 1.379 1.00 0.00 C ATOM 344 C GLN A 24 8.851 -2.473 2.227 1.00 0.00 C ATOM 345 O GLN A 24 9.205 -2.868 3.339 1.00 0.00 O ATOM 346 CB GLN A 24 10.391 -0.501 2.225 1.00 0.00 C ATOM 347 CG GLN A 24 11.610 -0.924 3.030 1.00 0.00 C ATOM 348 CD GLN A 24 11.451 -0.660 4.515 1.00 0.00 C ATOM 349 OE1 GLN A 24 11.344 -1.590 5.314 1.00 0.00 O ATOM 350 NE2 GLN A 24 11.436 0.612 4.891 1.00 0.00 N ATOM 0 H GLN A 24 8.448 -0.364 0.374 1.00 0.00 H new ATOM 0 HA GLN A 24 10.597 -2.279 1.031 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.667 0.326 1.571 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.627 -0.127 2.907 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.794 -1.987 2.872 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.486 -0.390 2.662 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.528 1.351 4.194 1.00 0.00 H new ATOM 0 HE22 GLN A 24 11.333 0.851 5.877 1.00 0.00 H new ATOM 359 N GLN A 25 7.671 -2.790 1.693 1.00 0.00 N ATOM 360 CA GLN A 25 6.729 -3.641 2.420 1.00 0.00 C ATOM 361 C GLN A 25 7.504 -4.866 2.900 1.00 0.00 C ATOM 362 O GLN A 25 8.589 -5.131 2.380 1.00 0.00 O ATOM 363 CB GLN A 25 5.562 -4.059 1.520 1.00 0.00 C ATOM 364 CG GLN A 25 4.207 -3.589 2.025 1.00 0.00 C ATOM 365 CD GLN A 25 3.354 -4.727 2.556 1.00 0.00 C ATOM 366 OE1 GLN A 25 3.419 -5.851 2.059 1.00 0.00 O ATOM 367 NE2 GLN A 25 2.549 -4.436 3.572 1.00 0.00 N ATOM 0 H GLN A 25 7.349 -2.477 0.777 1.00 0.00 H new ATOM 0 HA GLN A 25 6.302 -3.100 3.264 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.725 -3.661 0.519 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.552 -5.146 1.433 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.354 -2.851 2.814 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.675 -3.089 1.215 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.529 -3.490 3.952 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.951 -5.159 3.972 1.00 0.00 H new ATOM 376 N VAL A 26 7.001 -5.624 3.869 1.00 0.00 N ATOM 377 CA VAL A 26 7.737 -6.789 4.337 1.00 0.00 C ATOM 378 C VAL A 26 7.033 -8.070 3.923 1.00 0.00 C ATOM 379 O VAL A 26 5.814 -8.188 4.049 1.00 0.00 O ATOM 380 CB VAL A 26 7.895 -6.775 5.869 1.00 0.00 C ATOM 381 CG1 VAL A 26 8.843 -7.874 6.319 1.00 0.00 C ATOM 382 CG2 VAL A 26 8.386 -5.415 6.343 1.00 0.00 C ATOM 0 H VAL A 26 6.109 -5.458 4.335 1.00 0.00 H new ATOM 0 HA VAL A 26 8.726 -6.751 3.880 1.00 0.00 H new ATOM 0 HB VAL A 26 6.919 -6.962 6.317 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.942 -7.848 7.404 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.448 -8.843 6.014 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.821 -7.721 5.862 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.492 -5.424 7.428 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.351 -5.197 5.886 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.667 -4.648 6.055 1.00 0.00 H new ATOM 392 N PHE A 27 7.801 -9.026 3.422 1.00 0.00 N ATOM 393 CA PHE A 27 7.234 -10.291 2.985 1.00 0.00 C ATOM 394 C PHE A 27 7.631 -11.417 3.924 1.00 0.00 C ATOM 395 O PHE A 27 8.707 -12.005 3.813 1.00 0.00 O ATOM 396 CB PHE A 27 7.675 -10.571 1.547 1.00 0.00 C ATOM 397 CG PHE A 27 7.409 -9.407 0.626 1.00 0.00 C ATOM 398 CD1 PHE A 27 8.134 -8.226 0.738 1.00 0.00 C ATOM 399 CD2 PHE A 27 6.419 -9.487 -0.340 1.00 0.00 C ATOM 400 CE1 PHE A 27 7.875 -7.157 -0.098 1.00 0.00 C ATOM 401 CE2 PHE A 27 6.156 -8.419 -1.174 1.00 0.00 C ATOM 402 CZ PHE A 27 6.884 -7.254 -1.054 1.00 0.00 C ATOM 0 H PHE A 27 8.812 -8.950 3.309 1.00 0.00 H new ATOM 0 HA PHE A 27 6.146 -10.228 3.009 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.740 -10.804 1.535 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.152 -11.452 1.175 1.00 0.00 H new ATOM 0 HD1 PHE A 27 8.908 -8.143 1.487 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.846 -10.397 -0.442 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.447 -6.246 -0.004 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.380 -8.496 -1.921 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.679 -6.419 -1.707 1.00 0.00 H new ATOM 452 N LEU A 31 2.011 -15.027 5.343 1.00 0.00 N ATOM 453 CA LEU A 31 1.624 -13.861 4.554 1.00 0.00 C ATOM 454 C LEU A 31 0.156 -13.497 4.749 1.00 0.00 C ATOM 455 O LEU A 31 -0.698 -14.366 4.919 1.00 0.00 O ATOM 456 CB LEU A 31 1.908 -14.118 3.073 1.00 0.00 C ATOM 457 CG LEU A 31 3.242 -14.812 2.787 1.00 0.00 C ATOM 458 CD1 LEU A 31 3.029 -16.289 2.498 1.00 0.00 C ATOM 459 CD2 LEU A 31 3.956 -14.143 1.626 1.00 0.00 C ATOM 0 HA LEU A 31 2.218 -13.016 4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.102 -14.727 2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.889 -13.166 2.543 1.00 0.00 H new ATOM 0 HG LEU A 31 3.868 -14.722 3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.990 -16.763 2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.563 -16.765 3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.381 -16.400 1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.902 -14.651 1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.332 -14.199 0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.148 -13.098 1.870 1.00 0.00 H new ATOM 471 N VAL A 32 -0.121 -12.199 4.717 1.00 0.00 N ATOM 472 CA VAL A 32 -1.476 -11.693 4.884 1.00 0.00 C ATOM 473 C VAL A 32 -2.286 -11.878 3.603 1.00 0.00 C ATOM 474 O VAL A 32 -1.722 -11.948 2.510 1.00 0.00 O ATOM 475 CB VAL A 32 -1.456 -10.202 5.273 1.00 0.00 C ATOM 476 CG1 VAL A 32 -0.833 -9.365 4.165 1.00 0.00 C ATOM 477 CG2 VAL A 32 -2.855 -9.714 5.596 1.00 0.00 C ATOM 0 H VAL A 32 0.582 -11.473 4.576 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.948 -12.263 5.685 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.843 -10.090 6.167 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.829 -8.316 4.460 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.190 -9.697 3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.414 -9.482 3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.819 -8.659 5.868 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.495 -9.842 4.723 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.258 -10.290 6.429 1.00 0.00 H new ATOM 487 N SER A 33 -3.605 -11.981 3.738 1.00 0.00 N ATOM 488 CA SER A 33 -4.475 -12.186 2.584 1.00 0.00 C ATOM 489 C SER A 33 -4.734 -10.883 1.837 1.00 0.00 C ATOM 490 O SER A 33 -4.327 -9.807 2.275 1.00 0.00 O ATOM 491 CB SER A 33 -5.802 -12.805 3.026 1.00 0.00 C ATOM 492 OG SER A 33 -6.253 -13.767 2.088 1.00 0.00 O ATOM 0 H SER A 33 -4.094 -11.926 4.632 1.00 0.00 H new ATOM 0 HA SER A 33 -3.965 -12.868 1.903 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.681 -13.274 4.003 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.552 -12.022 3.139 1.00 0.00 H new ATOM 0 HG SER A 33 -7.102 -14.149 2.394 1.00 0.00 H new ATOM 498 N GLU A 34 -5.399 -10.998 0.690 1.00 0.00 N ATOM 499 CA GLU A 34 -5.702 -9.843 -0.148 1.00 0.00 C ATOM 500 C GLU A 34 -6.705 -8.901 0.511 1.00 0.00 C ATOM 501 O GLU A 34 -6.575 -7.682 0.412 1.00 0.00 O ATOM 502 CB GLU A 34 -6.236 -10.304 -1.506 1.00 0.00 C ATOM 503 CG GLU A 34 -5.233 -10.153 -2.638 1.00 0.00 C ATOM 504 CD GLU A 34 -5.546 -11.051 -3.819 1.00 0.00 C ATOM 505 OE1 GLU A 34 -6.607 -10.855 -4.448 1.00 0.00 O ATOM 506 OE2 GLU A 34 -4.732 -11.950 -4.114 1.00 0.00 O ATOM 0 H GLU A 34 -5.740 -11.885 0.319 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.773 -9.290 -0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.535 -11.350 -1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.132 -9.733 -1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.219 -9.115 -2.970 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.234 -10.383 -2.266 1.00 0.00 H new ATOM 513 N GLU A 35 -7.701 -9.465 1.184 1.00 0.00 N ATOM 514 CA GLU A 35 -8.717 -8.658 1.853 1.00 0.00 C ATOM 515 C GLU A 35 -8.115 -7.903 3.032 1.00 0.00 C ATOM 516 O GLU A 35 -8.459 -6.747 3.292 1.00 0.00 O ATOM 517 CB GLU A 35 -9.871 -9.544 2.332 1.00 0.00 C ATOM 518 CG GLU A 35 -10.938 -9.776 1.275 1.00 0.00 C ATOM 519 CD GLU A 35 -12.224 -10.326 1.857 1.00 0.00 C ATOM 520 OE1 GLU A 35 -13.000 -9.536 2.434 1.00 0.00 O ATOM 521 OE2 GLU A 35 -12.457 -11.548 1.735 1.00 0.00 O ATOM 0 H GLU A 35 -7.828 -10.472 1.281 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.102 -7.933 1.136 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.471 -10.507 2.650 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.332 -9.085 3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.148 -8.837 0.763 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.557 -10.469 0.525 1.00 0.00 H new ATOM 528 N ASP A 36 -7.194 -8.559 3.727 1.00 0.00 N ATOM 529 CA ASP A 36 -6.528 -7.943 4.863 1.00 0.00 C ATOM 530 C ASP A 36 -5.588 -6.849 4.377 1.00 0.00 C ATOM 531 O ASP A 36 -5.473 -5.791 4.997 1.00 0.00 O ATOM 532 CB ASP A 36 -5.759 -8.991 5.669 1.00 0.00 C ATOM 533 CG ASP A 36 -6.636 -9.701 6.681 1.00 0.00 C ATOM 534 OD1 ASP A 36 -7.391 -10.610 6.278 1.00 0.00 O ATOM 535 OD2 ASP A 36 -6.568 -9.347 7.877 1.00 0.00 O ATOM 0 H ASP A 36 -6.894 -9.512 3.524 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.281 -7.500 5.515 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.328 -9.725 4.988 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.929 -8.510 6.186 1.00 0.00 H new ATOM 540 N MET A 37 -4.939 -7.101 3.243 1.00 0.00 N ATOM 541 CA MET A 37 -4.034 -6.128 2.653 1.00 0.00 C ATOM 542 C MET A 37 -4.826 -4.917 2.179 1.00 0.00 C ATOM 543 O MET A 37 -4.418 -3.773 2.382 1.00 0.00 O ATOM 544 CB MET A 37 -3.263 -6.742 1.482 1.00 0.00 C ATOM 545 CG MET A 37 -2.278 -5.783 0.830 1.00 0.00 C ATOM 546 SD MET A 37 -1.006 -5.214 1.974 1.00 0.00 S ATOM 547 CE MET A 37 0.409 -6.155 1.407 1.00 0.00 C ATOM 0 H MET A 37 -5.025 -7.971 2.717 1.00 0.00 H new ATOM 0 HA MET A 37 -3.313 -5.818 3.410 1.00 0.00 H new ATOM 0 HB2 MET A 37 -2.722 -7.620 1.835 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.974 -7.086 0.731 1.00 0.00 H new ATOM 0 HG2 MET A 37 -1.804 -6.276 -0.019 1.00 0.00 H new ATOM 0 HG3 MET A 37 -2.820 -4.923 0.437 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.819 -6.732 2.236 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.100 -6.833 0.611 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.171 -5.474 1.028 1.00 0.00 H new ATOM 557 N VAL A 38 -5.975 -5.179 1.558 1.00 0.00 N ATOM 558 CA VAL A 38 -6.838 -4.112 1.069 1.00 0.00 C ATOM 559 C VAL A 38 -7.215 -3.176 2.210 1.00 0.00 C ATOM 560 O VAL A 38 -7.108 -1.956 2.085 1.00 0.00 O ATOM 561 CB VAL A 38 -8.122 -4.672 0.418 1.00 0.00 C ATOM 562 CG1 VAL A 38 -9.050 -3.544 -0.010 1.00 0.00 C ATOM 563 CG2 VAL A 38 -7.776 -5.560 -0.768 1.00 0.00 C ATOM 0 H VAL A 38 -6.327 -6.120 1.383 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.281 -3.562 0.310 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.643 -5.276 1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.947 -3.964 -0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.329 -2.952 0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.540 -2.908 -0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.693 -5.945 -1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.228 -4.979 -1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.159 -6.393 -0.431 1.00 0.00 H new ATOM 573 N THR A 39 -7.642 -3.754 3.331 1.00 0.00 N ATOM 574 CA THR A 39 -8.014 -2.960 4.497 1.00 0.00 C ATOM 575 C THR A 39 -6.835 -2.105 4.949 1.00 0.00 C ATOM 576 O THR A 39 -6.980 -0.907 5.191 1.00 0.00 O ATOM 577 CB THR A 39 -8.475 -3.869 5.641 1.00 0.00 C ATOM 578 OG1 THR A 39 -8.359 -5.235 5.279 1.00 0.00 O ATOM 579 CG2 THR A 39 -9.908 -3.624 6.057 1.00 0.00 C ATOM 0 H THR A 39 -7.738 -4.762 3.455 1.00 0.00 H new ATOM 0 HA THR A 39 -8.840 -2.305 4.220 1.00 0.00 H new ATOM 0 HB THR A 39 -7.823 -3.629 6.480 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.957 -5.426 4.526 1.00 0.00 H new ATOM 0 HG21 THR A 39 -10.171 -4.300 6.871 1.00 0.00 H new ATOM 0 HG22 THR A 39 -10.018 -2.593 6.392 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.569 -3.803 5.209 1.00 0.00 H new ATOM 587 N VAL A 40 -5.665 -2.732 5.052 1.00 0.00 N ATOM 588 CA VAL A 40 -4.455 -2.030 5.464 1.00 0.00 C ATOM 589 C VAL A 40 -4.190 -0.833 4.558 1.00 0.00 C ATOM 590 O VAL A 40 -3.855 0.255 5.028 1.00 0.00 O ATOM 591 CB VAL A 40 -3.228 -2.962 5.442 1.00 0.00 C ATOM 592 CG1 VAL A 40 -2.003 -2.251 5.995 1.00 0.00 C ATOM 593 CG2 VAL A 40 -3.510 -4.239 6.222 1.00 0.00 C ATOM 0 H VAL A 40 -5.531 -3.724 4.856 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.616 -1.685 6.485 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.024 -3.234 4.406 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.148 -2.927 5.970 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.788 -1.371 5.388 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.194 -1.944 7.023 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.632 -4.884 6.194 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.744 -3.989 7.257 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.356 -4.760 5.774 1.00 0.00 H new ATOM 603 N VAL A 41 -4.351 -1.038 3.254 1.00 0.00 N ATOM 604 CA VAL A 41 -4.138 0.027 2.283 1.00 0.00 C ATOM 605 C VAL A 41 -5.161 1.140 2.471 1.00 0.00 C ATOM 606 O VAL A 41 -4.815 2.320 2.471 1.00 0.00 O ATOM 607 CB VAL A 41 -4.221 -0.500 0.838 1.00 0.00 C ATOM 608 CG1 VAL A 41 -3.909 0.606 -0.158 1.00 0.00 C ATOM 609 CG2 VAL A 41 -3.276 -1.678 0.648 1.00 0.00 C ATOM 0 H VAL A 41 -4.628 -1.931 2.847 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.136 0.421 2.453 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.240 -0.842 0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.973 0.211 -1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.627 1.417 -0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.902 0.984 0.021 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.346 -2.039 -0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.253 -1.361 0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.551 -2.479 1.334 1.00 0.00 H new ATOM 619 N GLU A 42 -6.423 0.754 2.635 1.00 0.00 N ATOM 620 CA GLU A 42 -7.497 1.721 2.832 1.00 0.00 C ATOM 621 C GLU A 42 -7.211 2.595 4.046 1.00 0.00 C ATOM 622 O GLU A 42 -7.289 3.822 3.973 1.00 0.00 O ATOM 623 CB GLU A 42 -8.836 1.002 3.002 1.00 0.00 C ATOM 624 CG GLU A 42 -9.920 1.515 2.070 1.00 0.00 C ATOM 625 CD GLU A 42 -11.310 1.373 2.659 1.00 0.00 C ATOM 626 OE1 GLU A 42 -11.798 0.228 2.758 1.00 0.00 O ATOM 627 OE2 GLU A 42 -11.909 2.407 3.024 1.00 0.00 O ATOM 0 H GLU A 42 -6.726 -0.220 2.635 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.552 2.359 1.950 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.692 -0.064 2.827 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.171 1.114 4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.731 2.564 1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.871 0.970 1.127 1.00 0.00 H new ATOM 634 N ASP A 43 -6.865 1.958 5.162 1.00 0.00 N ATOM 635 CA ASP A 43 -6.552 2.683 6.386 1.00 0.00 C ATOM 636 C ASP A 43 -5.402 3.652 6.135 1.00 0.00 C ATOM 637 O ASP A 43 -5.439 4.802 6.566 1.00 0.00 O ATOM 638 CB ASP A 43 -6.185 1.709 7.508 1.00 0.00 C ATOM 639 CG ASP A 43 -6.746 2.134 8.850 1.00 0.00 C ATOM 640 OD1 ASP A 43 -7.984 2.109 9.011 1.00 0.00 O ATOM 641 OD2 ASP A 43 -5.947 2.494 9.741 1.00 0.00 O ATOM 0 H ASP A 43 -6.795 0.944 5.242 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.433 3.247 6.693 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.559 0.716 7.259 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.100 1.633 7.579 1.00 0.00 H new ATOM 646 N TRP A 44 -4.392 3.171 5.417 1.00 0.00 N ATOM 647 CA TRP A 44 -3.228 3.982 5.081 1.00 0.00 C ATOM 648 C TRP A 44 -3.654 5.194 4.259 1.00 0.00 C ATOM 649 O TRP A 44 -3.154 6.302 4.452 1.00 0.00 O ATOM 650 CB TRP A 44 -2.229 3.153 4.265 1.00 0.00 C ATOM 651 CG TRP A 44 -1.185 2.452 5.083 1.00 0.00 C ATOM 652 CD1 TRP A 44 -0.841 2.702 6.381 1.00 0.00 C ATOM 653 CD2 TRP A 44 -0.339 1.384 4.641 1.00 0.00 C ATOM 654 NE1 TRP A 44 0.169 1.853 6.772 1.00 0.00 N ATOM 655 CE2 TRP A 44 0.494 1.034 5.721 1.00 0.00 C ATOM 656 CE3 TRP A 44 -0.207 0.690 3.436 1.00 0.00 C ATOM 657 CZ2 TRP A 44 1.447 0.018 5.627 1.00 0.00 C ATOM 658 CZ3 TRP A 44 0.736 -0.316 3.345 1.00 0.00 C ATOM 659 CH2 TRP A 44 1.552 -0.643 4.435 1.00 0.00 C ATOM 0 H TRP A 44 -4.357 2.218 5.055 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.759 4.315 6.007 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.779 2.410 3.688 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.732 3.808 3.550 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.295 3.455 7.008 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.605 1.836 7.694 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.831 0.936 2.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.078 -0.236 6.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.845 -0.859 2.418 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.280 -1.434 4.332 1.00 0.00 H new ATOM 670 N MET A 45 -4.573 4.962 3.326 1.00 0.00 N ATOM 671 CA MET A 45 -5.065 6.015 2.447 1.00 0.00 C ATOM 672 C MET A 45 -5.770 7.126 3.222 1.00 0.00 C ATOM 673 O MET A 45 -5.456 8.302 3.042 1.00 0.00 O ATOM 674 CB MET A 45 -6.010 5.420 1.398 1.00 0.00 C ATOM 675 CG MET A 45 -6.690 6.458 0.518 1.00 0.00 C ATOM 676 SD MET A 45 -7.768 5.718 -0.724 1.00 0.00 S ATOM 677 CE MET A 45 -6.730 4.390 -1.327 1.00 0.00 C ATOM 0 H MET A 45 -4.993 4.048 3.160 1.00 0.00 H new ATOM 0 HA MET A 45 -4.203 6.461 1.951 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.447 4.734 0.765 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.775 4.831 1.905 1.00 0.00 H new ATOM 0 HG2 MET A 45 -7.274 7.133 1.144 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.930 7.061 0.021 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.092 4.058 -2.300 1.00 0.00 H new ATOM 0 HE2 MET A 45 -5.704 4.745 -1.424 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.761 3.557 -0.625 1.00 0.00 H new ATOM 687 N ASN A 46 -6.713 6.765 4.089 1.00 0.00 N ATOM 688 CA ASN A 46 -7.430 7.763 4.876 1.00 0.00 C ATOM 689 C ASN A 46 -6.491 8.387 5.895 1.00 0.00 C ATOM 690 O ASN A 46 -6.575 9.581 6.187 1.00 0.00 O ATOM 691 CB ASN A 46 -8.632 7.137 5.589 1.00 0.00 C ATOM 692 CG ASN A 46 -9.341 6.095 4.744 1.00 0.00 C ATOM 693 OD1 ASN A 46 -9.771 5.059 5.250 1.00 0.00 O ATOM 694 ND2 ASN A 46 -9.466 6.365 3.450 1.00 0.00 N ATOM 0 H ASN A 46 -6.996 5.800 4.263 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.797 8.535 4.200 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.298 6.677 6.519 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.339 7.922 5.857 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.934 5.701 2.833 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.094 7.237 3.073 1.00 0.00 H new ATOM 701 N PHE A 47 -5.582 7.571 6.421 1.00 0.00 N ATOM 702 CA PHE A 47 -4.611 8.044 7.394 1.00 0.00 C ATOM 703 C PHE A 47 -3.776 9.161 6.782 1.00 0.00 C ATOM 704 O PHE A 47 -3.461 10.147 7.443 1.00 0.00 O ATOM 705 CB PHE A 47 -3.717 6.884 7.862 1.00 0.00 C ATOM 706 CG PHE A 47 -2.249 7.209 7.909 1.00 0.00 C ATOM 707 CD1 PHE A 47 -1.738 8.033 8.899 1.00 0.00 C ATOM 708 CD2 PHE A 47 -1.382 6.693 6.959 1.00 0.00 C ATOM 709 CE1 PHE A 47 -0.390 8.336 8.939 1.00 0.00 C ATOM 710 CE2 PHE A 47 -0.035 6.991 6.994 1.00 0.00 C ATOM 711 CZ PHE A 47 0.462 7.814 7.985 1.00 0.00 C ATOM 0 H PHE A 47 -5.500 6.581 6.188 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.135 8.437 8.265 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.039 6.571 8.855 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.867 6.034 7.196 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.400 8.443 9.647 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.765 6.049 6.181 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.003 8.980 9.715 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.629 6.581 6.248 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.516 8.049 8.014 1.00 0.00 H new ATOM 721 N TYR A 48 -3.430 9.000 5.507 1.00 0.00 N ATOM 722 CA TYR A 48 -2.643 10.000 4.803 1.00 0.00 C ATOM 723 C TYR A 48 -3.489 11.234 4.518 1.00 0.00 C ATOM 724 O TYR A 48 -3.051 12.365 4.719 1.00 0.00 O ATOM 725 CB TYR A 48 -2.106 9.420 3.493 1.00 0.00 C ATOM 726 CG TYR A 48 -0.845 8.600 3.658 1.00 0.00 C ATOM 727 CD1 TYR A 48 0.246 9.096 4.358 1.00 0.00 C ATOM 728 CD2 TYR A 48 -0.749 7.325 3.111 1.00 0.00 C ATOM 729 CE1 TYR A 48 1.399 8.347 4.508 1.00 0.00 C ATOM 730 CE2 TYR A 48 0.399 6.569 3.258 1.00 0.00 C ATOM 731 CZ TYR A 48 1.470 7.084 3.956 1.00 0.00 C ATOM 732 OH TYR A 48 2.614 6.333 4.105 1.00 0.00 O ATOM 0 H TYR A 48 -3.683 8.188 4.945 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.802 10.289 5.434 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.877 8.796 3.040 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.908 10.237 2.799 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.194 10.083 4.793 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.586 6.919 2.562 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.240 8.748 5.054 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.456 5.580 2.828 1.00 0.00 H new ATOM 0 HH TYR A 48 2.499 5.469 3.658 1.00 0.00 H new ATOM 742 N ILE A 49 -4.703 11.003 4.034 1.00 0.00 N ATOM 743 CA ILE A 49 -5.621 12.084 3.700 1.00 0.00 C ATOM 744 C ILE A 49 -5.823 13.033 4.888 1.00 0.00 C ATOM 745 O ILE A 49 -5.612 14.243 4.770 1.00 0.00 O ATOM 746 CB ILE A 49 -6.983 11.499 3.249 1.00 0.00 C ATOM 747 CG1 ILE A 49 -6.891 11.000 1.806 1.00 0.00 C ATOM 748 CG2 ILE A 49 -8.108 12.516 3.388 1.00 0.00 C ATOM 749 CD1 ILE A 49 -6.637 12.103 0.802 1.00 0.00 C ATOM 0 H ILE A 49 -5.076 10.069 3.863 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.184 12.658 2.883 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.217 10.660 3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.091 10.263 1.735 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.818 10.489 1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -9.046 12.067 3.062 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.195 12.822 4.431 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.889 13.388 2.771 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.583 11.678 -0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.449 12.829 0.845 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.695 12.599 1.037 1.00 0.00 H new ATOM 761 N ASN A 50 -6.227 12.483 6.025 1.00 0.00 N ATOM 762 CA ASN A 50 -6.454 13.287 7.221 1.00 0.00 C ATOM 763 C ASN A 50 -5.138 13.808 7.793 1.00 0.00 C ATOM 764 O ASN A 50 -5.072 14.921 8.315 1.00 0.00 O ATOM 765 CB ASN A 50 -7.194 12.466 8.279 1.00 0.00 C ATOM 766 CG ASN A 50 -8.651 12.244 7.921 1.00 0.00 C ATOM 767 OD1 ASN A 50 -9.517 13.044 8.274 1.00 0.00 O ATOM 768 ND2 ASN A 50 -8.929 11.155 7.216 1.00 0.00 N ATOM 0 H ASN A 50 -6.404 11.486 6.146 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.067 14.143 6.938 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.700 11.501 8.398 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.132 12.976 9.240 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.892 10.954 6.946 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.180 10.518 6.944 1.00 0.00 H new ATOM 775 N TYR A 51 -4.095 12.990 7.701 1.00 0.00 N ATOM 776 CA TYR A 51 -2.779 13.354 8.217 1.00 0.00 C ATOM 777 C TYR A 51 -2.209 14.567 7.489 1.00 0.00 C ATOM 778 O TYR A 51 -1.680 15.486 8.114 1.00 0.00 O ATOM 779 CB TYR A 51 -1.832 12.157 8.076 1.00 0.00 C ATOM 780 CG TYR A 51 -0.376 12.455 8.365 1.00 0.00 C ATOM 781 CD1 TYR A 51 -0.002 13.490 9.214 1.00 0.00 C ATOM 782 CD2 TYR A 51 0.627 11.686 7.789 1.00 0.00 C ATOM 783 CE1 TYR A 51 1.328 13.748 9.478 1.00 0.00 C ATOM 784 CE2 TYR A 51 1.958 11.937 8.049 1.00 0.00 C ATOM 785 CZ TYR A 51 2.304 12.968 8.894 1.00 0.00 C ATOM 786 OH TYR A 51 3.631 13.224 9.154 1.00 0.00 O ATOM 0 H TYR A 51 -4.136 12.066 7.272 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.882 13.622 9.269 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.166 11.367 8.749 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.913 11.767 7.062 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.764 14.102 9.674 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.360 10.877 7.125 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.603 14.557 10.139 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.725 11.328 7.593 1.00 0.00 H new ATOM 0 HH TYR A 51 3.853 14.132 8.860 1.00 0.00 H new ATOM 796 N TYR A 52 -2.305 14.554 6.170 1.00 0.00 N ATOM 797 CA TYR A 52 -1.783 15.644 5.354 1.00 0.00 C ATOM 798 C TYR A 52 -2.670 16.876 5.404 1.00 0.00 C ATOM 799 O TYR A 52 -2.174 17.995 5.343 1.00 0.00 O ATOM 800 CB TYR A 52 -1.612 15.185 3.908 1.00 0.00 C ATOM 801 CG TYR A 52 -0.590 14.092 3.767 1.00 0.00 C ATOM 802 CD1 TYR A 52 0.693 14.264 4.263 1.00 0.00 C ATOM 803 CD2 TYR A 52 -0.908 12.886 3.163 1.00 0.00 C ATOM 804 CE1 TYR A 52 1.635 13.265 4.158 1.00 0.00 C ATOM 805 CE2 TYR A 52 0.025 11.877 3.062 1.00 0.00 C ATOM 806 CZ TYR A 52 1.295 12.069 3.559 1.00 0.00 C ATOM 807 OH TYR A 52 2.222 11.059 3.474 1.00 0.00 O ATOM 0 H TYR A 52 -2.740 13.800 5.638 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.814 15.921 5.768 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.570 14.833 3.526 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.317 16.035 3.293 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.958 15.196 4.739 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.901 12.735 2.766 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.633 13.416 4.542 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.239 10.940 2.595 1.00 0.00 H new ATOM 0 HH TYR A 52 1.961 10.325 4.068 1.00 0.00 H new ATOM 817 N ARG A 53 -3.979 16.682 5.529 1.00 0.00 N ATOM 818 CA ARG A 53 -4.901 17.811 5.593 1.00 0.00 C ATOM 819 C ARG A 53 -4.554 18.721 6.768 1.00 0.00 C ATOM 820 O ARG A 53 -4.779 19.931 6.717 1.00 0.00 O ATOM 821 CB ARG A 53 -6.346 17.309 5.715 1.00 0.00 C ATOM 822 CG ARG A 53 -7.335 18.372 6.178 1.00 0.00 C ATOM 823 CD ARG A 53 -8.707 18.177 5.551 1.00 0.00 C ATOM 824 NE ARG A 53 -9.123 16.775 5.555 1.00 0.00 N ATOM 825 CZ ARG A 53 -9.913 16.232 6.480 1.00 0.00 C ATOM 826 NH1 ARG A 53 -10.373 16.962 7.489 1.00 0.00 N ATOM 827 NH2 ARG A 53 -10.244 14.951 6.395 1.00 0.00 N ATOM 0 H ARG A 53 -4.422 15.765 5.587 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.807 18.388 4.673 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.669 16.924 4.748 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.372 16.474 6.415 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.423 18.338 7.264 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.954 19.360 5.920 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.440 18.773 6.094 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.692 18.547 4.526 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.787 16.175 4.802 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.122 17.948 7.561 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.977 16.537 8.192 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.894 14.384 5.623 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.849 14.533 7.102 1.00 0.00 H new ATOM 841 N GLN A 54 -4.018 18.128 7.826 1.00 0.00 N ATOM 842 CA GLN A 54 -3.652 18.878 9.019 1.00 0.00 C ATOM 843 C GLN A 54 -2.176 19.277 9.011 1.00 0.00 C ATOM 844 O GLN A 54 -1.742 20.066 9.850 1.00 0.00 O ATOM 845 CB GLN A 54 -3.951 18.043 10.267 1.00 0.00 C ATOM 846 CG GLN A 54 -5.408 18.099 10.699 1.00 0.00 C ATOM 847 CD GLN A 54 -5.756 17.032 11.718 1.00 0.00 C ATOM 848 OE1 GLN A 54 -6.069 17.336 12.870 1.00 0.00 O ATOM 849 NE2 GLN A 54 -5.703 15.773 11.301 1.00 0.00 N ATOM 0 H GLN A 54 -3.827 17.128 7.882 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.245 19.792 9.030 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.677 17.006 10.075 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.323 18.392 11.087 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.621 19.082 11.120 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.047 17.982 9.824 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.439 15.565 10.338 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.926 15.013 11.944 1.00 0.00 H new ATOM 858 N GLN A 55 -1.398 18.718 8.084 1.00 0.00 N ATOM 859 CA GLN A 55 0.030 19.014 8.014 1.00 0.00 C ATOM 860 C GLN A 55 0.369 20.046 6.937 1.00 0.00 C ATOM 861 O GLN A 55 1.519 20.473 6.829 1.00 0.00 O ATOM 862 CB GLN A 55 0.812 17.729 7.750 1.00 0.00 C ATOM 863 CG GLN A 55 1.197 16.983 9.017 1.00 0.00 C ATOM 864 CD GLN A 55 2.666 16.611 9.048 1.00 0.00 C ATOM 865 OE1 GLN A 55 3.034 15.604 8.267 1.00 0.00 O flip ATOM 866 NE2 GLN A 55 3.459 17.221 9.765 1.00 0.00 N flip ATOM 0 H GLN A 55 -1.731 18.063 7.377 1.00 0.00 H new ATOM 0 HA GLN A 55 0.313 19.442 8.975 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.214 17.072 7.119 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.716 17.971 7.191 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.964 17.601 9.884 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.595 16.078 9.099 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.131 17.990 10.350 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.444 16.958 9.774 1.00 0.00 H new ATOM 875 N VAL A 56 -0.617 20.449 6.141 1.00 0.00 N ATOM 876 CA VAL A 56 -0.366 21.433 5.087 1.00 0.00 C ATOM 877 C VAL A 56 -0.168 22.821 5.682 1.00 0.00 C ATOM 878 O VAL A 56 -0.671 23.120 6.765 1.00 0.00 O ATOM 879 CB VAL A 56 -1.499 21.504 4.038 1.00 0.00 C ATOM 880 CG1 VAL A 56 -0.933 21.870 2.677 1.00 0.00 C ATOM 881 CG2 VAL A 56 -2.271 20.197 3.952 1.00 0.00 C ATOM 0 H VAL A 56 -1.580 20.119 6.201 1.00 0.00 H new ATOM 0 HA VAL A 56 0.540 21.100 4.581 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.196 22.279 4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.741 21.917 1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.441 22.841 2.737 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.209 21.115 2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.058 20.288 3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.593 19.392 3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.716 19.973 4.921 1.00 0.00 H new ATOM 891 N THR A 57 0.565 23.670 4.969 1.00 0.00 N ATOM 892 CA THR A 57 0.825 25.031 5.423 1.00 0.00 C ATOM 893 C THR A 57 0.305 26.041 4.406 1.00 0.00 C ATOM 894 O THR A 57 -0.094 25.671 3.301 1.00 0.00 O ATOM 895 CB THR A 57 2.324 25.238 5.649 1.00 0.00 C ATOM 896 OG1 THR A 57 3.069 24.756 4.546 1.00 0.00 O ATOM 897 CG2 THR A 57 2.845 24.547 6.890 1.00 0.00 C ATOM 0 H THR A 57 0.991 23.438 4.072 1.00 0.00 H new ATOM 0 HA THR A 57 0.302 25.185 6.367 1.00 0.00 H new ATOM 0 HB THR A 57 2.450 26.314 5.772 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.025 24.899 4.709 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.914 24.735 6.989 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.325 24.933 7.767 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.671 23.474 6.809 1.00 0.00 H new ATOM 905 N GLY A 58 0.314 27.317 4.778 1.00 0.00 N ATOM 906 CA GLY A 58 -0.158 28.353 3.877 1.00 0.00 C ATOM 907 C GLY A 58 -1.662 28.538 3.935 1.00 0.00 C ATOM 908 O GLY A 58 -2.278 28.354 4.985 1.00 0.00 O ATOM 0 H GLY A 58 0.639 27.652 5.685 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.330 29.295 4.126 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.134 28.103 2.857 1.00 0.00 H new ATOM 912 N GLU A 59 -2.253 28.903 2.801 1.00 0.00 N ATOM 913 CA GLU A 59 -3.693 29.115 2.724 1.00 0.00 C ATOM 914 C GLU A 59 -4.435 27.783 2.639 1.00 0.00 C ATOM 915 O GLU A 59 -3.835 26.743 2.366 1.00 0.00 O ATOM 916 CB GLU A 59 -4.035 29.988 1.514 1.00 0.00 C ATOM 917 CG GLU A 59 -4.416 31.412 1.881 1.00 0.00 C ATOM 918 CD GLU A 59 -3.221 32.244 2.304 1.00 0.00 C ATOM 919 OE1 GLU A 59 -2.564 32.834 1.420 1.00 0.00 O ATOM 920 OE2 GLU A 59 -2.941 32.307 3.520 1.00 0.00 O ATOM 0 H GLU A 59 -1.756 29.058 1.924 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.012 29.627 3.632 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.179 30.012 0.840 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.859 29.530 0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.900 31.886 1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.145 31.392 2.691 1.00 0.00 H new ATOM 927 N PRO A 60 -5.758 27.799 2.876 1.00 0.00 N ATOM 928 CA PRO A 60 -6.585 26.587 2.829 1.00 0.00 C ATOM 929 C PRO A 60 -6.709 26.011 1.421 1.00 0.00 C ATOM 930 O PRO A 60 -6.992 24.823 1.250 1.00 0.00 O ATOM 931 CB PRO A 60 -7.950 27.065 3.331 1.00 0.00 C ATOM 932 CG PRO A 60 -7.968 28.527 3.049 1.00 0.00 C ATOM 933 CD PRO A 60 -6.550 28.996 3.210 1.00 0.00 C ATOM 0 HA PRO A 60 -6.152 25.783 3.424 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.763 26.553 2.816 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.072 26.866 4.396 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.333 28.726 2.041 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.632 29.049 3.737 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.323 29.828 2.543 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.352 29.339 4.226 1.00 0.00 H new ATOM 941 N GLN A 61 -6.494 26.852 0.412 1.00 0.00 N ATOM 942 CA GLN A 61 -6.587 26.411 -0.975 1.00 0.00 C ATOM 943 C GLN A 61 -5.470 25.429 -1.306 1.00 0.00 C ATOM 944 O GLN A 61 -5.697 24.393 -1.937 1.00 0.00 O ATOM 945 CB GLN A 61 -6.524 27.618 -1.917 1.00 0.00 C ATOM 946 CG GLN A 61 -7.736 27.744 -2.826 1.00 0.00 C ATOM 947 CD GLN A 61 -7.470 27.228 -4.226 1.00 0.00 C ATOM 948 OE1 GLN A 61 -8.227 26.413 -4.753 1.00 0.00 O ATOM 949 NE2 GLN A 61 -6.390 27.701 -4.837 1.00 0.00 N ATOM 0 H GLN A 61 -6.256 27.837 0.529 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.542 25.903 -1.111 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.429 28.527 -1.323 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.626 27.543 -2.531 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.570 27.193 -2.392 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.038 28.790 -2.879 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.790 28.376 -4.363 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.160 27.390 -5.781 1.00 0.00 H new ATOM 958 N GLU A 62 -4.263 25.752 -0.864 1.00 0.00 N ATOM 959 CA GLU A 62 -3.116 24.892 -1.103 1.00 0.00 C ATOM 960 C GLU A 62 -3.324 23.548 -0.426 1.00 0.00 C ATOM 961 O GLU A 62 -3.023 22.499 -0.996 1.00 0.00 O ATOM 962 CB GLU A 62 -1.837 25.541 -0.581 1.00 0.00 C ATOM 963 CG GLU A 62 -1.421 26.783 -1.355 1.00 0.00 C ATOM 964 CD GLU A 62 -0.234 26.531 -2.266 1.00 0.00 C ATOM 965 OE1 GLU A 62 -0.414 25.864 -3.306 1.00 0.00 O ATOM 966 OE2 GLU A 62 0.875 27.004 -1.939 1.00 0.00 O ATOM 0 H GLU A 62 -4.054 26.601 -0.339 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.016 24.743 -2.178 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.977 25.807 0.467 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.028 24.812 -0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.263 27.135 -1.951 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.173 27.579 -0.652 1.00 0.00 H new ATOM 973 N ARG A 63 -3.855 23.586 0.793 1.00 0.00 N ATOM 974 CA ARG A 63 -4.117 22.365 1.540 1.00 0.00 C ATOM 975 C ARG A 63 -5.028 21.450 0.738 1.00 0.00 C ATOM 976 O ARG A 63 -4.742 20.264 0.557 1.00 0.00 O ATOM 977 CB ARG A 63 -4.778 22.697 2.875 1.00 0.00 C ATOM 978 CG ARG A 63 -4.065 23.784 3.656 1.00 0.00 C ATOM 979 CD ARG A 63 -4.132 23.519 5.147 1.00 0.00 C ATOM 980 NE ARG A 63 -3.276 24.425 5.908 1.00 0.00 N ATOM 981 CZ ARG A 63 -3.404 24.641 7.215 1.00 0.00 C ATOM 982 NH1 ARG A 63 -4.353 24.024 7.907 1.00 0.00 N ATOM 983 NH2 ARG A 63 -2.581 25.478 7.831 1.00 0.00 N ATOM 0 H ARG A 63 -4.110 24.445 1.280 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.169 21.859 1.725 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.807 23.008 2.693 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.821 21.794 3.483 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.023 23.839 3.340 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.517 24.751 3.435 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.162 23.624 5.487 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.835 22.489 5.345 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.537 24.921 5.409 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.990 23.380 7.438 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.446 24.194 8.908 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.850 25.956 7.303 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.678 25.644 8.833 1.00 0.00 H new ATOM 997 N ASP A 64 -6.139 22.010 0.272 1.00 0.00 N ATOM 998 CA ASP A 64 -7.102 21.239 -0.493 1.00 0.00 C ATOM 999 C ASP A 64 -6.458 20.605 -1.723 1.00 0.00 C ATOM 1000 O ASP A 64 -6.739 19.447 -2.036 1.00 0.00 O ATOM 1001 CB ASP A 64 -8.306 22.110 -0.888 1.00 0.00 C ATOM 1002 CG ASP A 64 -8.107 22.861 -2.195 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -7.956 22.202 -3.246 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -8.114 24.109 -2.168 1.00 0.00 O ATOM 0 H ASP A 64 -6.391 22.989 0.411 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.461 20.429 0.143 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.190 21.478 -0.972 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.502 22.828 -0.092 1.00 0.00 H new ATOM 1009 N LYS A 65 -5.596 21.342 -2.430 1.00 0.00 N ATOM 1010 CA LYS A 65 -4.950 20.787 -3.615 1.00 0.00 C ATOM 1011 C LYS A 65 -4.125 19.564 -3.247 1.00 0.00 C ATOM 1012 O LYS A 65 -4.234 18.512 -3.877 1.00 0.00 O ATOM 1013 CB LYS A 65 -4.063 21.842 -4.280 1.00 0.00 C ATOM 1014 CG LYS A 65 -4.675 22.447 -5.533 1.00 0.00 C ATOM 1015 CD LYS A 65 -4.484 23.955 -5.577 1.00 0.00 C ATOM 1016 CE LYS A 65 -3.334 24.343 -6.491 1.00 0.00 C ATOM 1017 NZ LYS A 65 -2.016 24.223 -5.808 1.00 0.00 N ATOM 0 H LYS A 65 -5.336 22.303 -2.207 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.724 20.485 -4.321 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.860 22.638 -3.564 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.104 21.391 -4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.220 21.996 -6.415 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.739 22.213 -5.568 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.402 24.429 -5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.293 24.328 -4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.343 23.707 -7.376 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.473 25.368 -6.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.258 24.497 -6.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.997 24.849 -4.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.871 23.239 -5.503 1.00 0.00 H new ATOM 1031 N ALA A 66 -3.295 19.711 -2.224 1.00 0.00 N ATOM 1032 CA ALA A 66 -2.446 18.618 -1.773 1.00 0.00 C ATOM 1033 C ALA A 66 -3.298 17.407 -1.419 1.00 0.00 C ATOM 1034 O ALA A 66 -2.885 16.264 -1.619 1.00 0.00 O ATOM 1035 CB ALA A 66 -1.611 19.050 -0.576 1.00 0.00 C ATOM 0 H ALA A 66 -3.192 20.575 -1.692 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.768 18.345 -2.582 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.982 18.220 -0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.981 19.894 -0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.270 19.345 0.240 1.00 0.00 H new ATOM 1041 N LEU A 67 -4.496 17.668 -0.910 1.00 0.00 N ATOM 1042 CA LEU A 67 -5.417 16.600 -0.547 1.00 0.00 C ATOM 1043 C LEU A 67 -5.970 15.922 -1.794 1.00 0.00 C ATOM 1044 O LEU A 67 -6.216 14.714 -1.801 1.00 0.00 O ATOM 1045 CB LEU A 67 -6.563 17.154 0.298 1.00 0.00 C ATOM 1046 CG LEU A 67 -6.390 16.984 1.807 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -5.014 17.466 2.245 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -7.485 17.734 2.550 1.00 0.00 C ATOM 0 H LEU A 67 -4.851 18.609 -0.740 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.871 15.860 0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.678 18.215 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.488 16.664 -0.005 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.471 15.925 2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.909 17.337 3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.246 16.886 1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.901 18.520 1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.350 17.605 3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.432 18.794 2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.459 17.341 2.257 1.00 0.00 H new ATOM 1060 N GLN A 68 -6.143 16.701 -2.859 1.00 0.00 N ATOM 1061 CA GLN A 68 -6.645 16.164 -4.114 1.00 0.00 C ATOM 1062 C GLN A 68 -5.570 15.314 -4.775 1.00 0.00 C ATOM 1063 O GLN A 68 -5.821 14.177 -5.182 1.00 0.00 O ATOM 1064 CB GLN A 68 -7.069 17.298 -5.051 1.00 0.00 C ATOM 1065 CG GLN A 68 -7.968 18.330 -4.389 1.00 0.00 C ATOM 1066 CD GLN A 68 -9.355 18.378 -5.001 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -10.222 17.571 -4.666 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -9.572 19.328 -5.903 1.00 0.00 N ATOM 0 H GLN A 68 -5.943 17.701 -2.875 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.517 15.543 -3.907 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.177 17.796 -5.432 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.588 16.873 -5.910 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.052 18.104 -3.326 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.506 19.314 -4.470 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.824 19.976 -6.151 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.486 19.410 -6.348 1.00 0.00 H new ATOM 1077 N GLU A 69 -4.367 15.870 -4.865 1.00 0.00 N ATOM 1078 CA GLU A 69 -3.244 15.163 -5.459 1.00 0.00 C ATOM 1079 C GLU A 69 -2.927 13.911 -4.655 1.00 0.00 C ATOM 1080 O GLU A 69 -2.472 12.910 -5.205 1.00 0.00 O ATOM 1081 CB GLU A 69 -2.016 16.071 -5.530 1.00 0.00 C ATOM 1082 CG GLU A 69 -1.023 15.669 -6.607 1.00 0.00 C ATOM 1083 CD GLU A 69 0.062 16.707 -6.814 1.00 0.00 C ATOM 1084 OE1 GLU A 69 0.886 16.896 -5.895 1.00 0.00 O ATOM 1085 OE2 GLU A 69 0.087 17.332 -7.896 1.00 0.00 O ATOM 0 H GLU A 69 -4.147 16.809 -4.533 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.516 14.870 -6.473 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.342 17.095 -5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.513 16.064 -4.563 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.564 14.718 -6.337 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.554 15.511 -7.546 1.00 0.00 H new ATOM 1092 N LEU A 70 -3.184 13.966 -3.350 1.00 0.00 N ATOM 1093 CA LEU A 70 -2.939 12.820 -2.486 1.00 0.00 C ATOM 1094 C LEU A 70 -3.904 11.699 -2.842 1.00 0.00 C ATOM 1095 O LEU A 70 -3.504 10.548 -3.023 1.00 0.00 O ATOM 1096 CB LEU A 70 -3.104 13.214 -1.014 1.00 0.00 C ATOM 1097 CG LEU A 70 -1.834 13.118 -0.167 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -1.475 11.663 0.091 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -0.681 13.842 -0.846 1.00 0.00 C ATOM 0 H LEU A 70 -3.559 14.786 -2.873 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.916 12.475 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.475 14.238 -0.968 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.868 12.577 -0.568 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.023 13.601 0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.569 11.613 0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.292 11.175 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.306 11.156 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.213 13.762 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.491 13.390 -1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.938 14.893 -0.978 1.00 0.00 H new ATOM 1111 N ARG A 71 -5.183 12.049 -2.936 1.00 0.00 N ATOM 1112 CA ARG A 71 -6.221 11.081 -3.265 1.00 0.00 C ATOM 1113 C ARG A 71 -5.900 10.367 -4.575 1.00 0.00 C ATOM 1114 O ARG A 71 -5.953 9.137 -4.649 1.00 0.00 O ATOM 1115 CB ARG A 71 -7.581 11.778 -3.367 1.00 0.00 C ATOM 1116 CG ARG A 71 -8.639 11.184 -2.452 1.00 0.00 C ATOM 1117 CD ARG A 71 -9.243 9.921 -3.045 1.00 0.00 C ATOM 1118 NE ARG A 71 -10.055 9.195 -2.070 1.00 0.00 N ATOM 1119 CZ ARG A 71 -11.277 9.571 -1.696 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -11.833 10.657 -2.218 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -11.943 8.858 -0.798 1.00 0.00 N ATOM 0 H ARG A 71 -5.525 12.999 -2.788 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.261 10.338 -2.468 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.457 12.834 -3.128 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.932 11.723 -4.398 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.197 10.956 -1.482 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.426 11.918 -2.279 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.858 10.182 -3.906 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.445 9.273 -3.408 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.663 8.351 -1.652 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.324 11.208 -2.909 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.769 10.940 -1.928 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.520 8.022 -0.394 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.879 9.145 -0.511 1.00 0.00 H new ATOM 1135 N GLN A 72 -5.550 11.134 -5.604 1.00 0.00 N ATOM 1136 CA GLN A 72 -5.207 10.551 -6.893 1.00 0.00 C ATOM 1137 C GLN A 72 -3.852 9.859 -6.810 1.00 0.00 C ATOM 1138 O GLN A 72 -3.606 8.862 -7.491 1.00 0.00 O ATOM 1139 CB GLN A 72 -5.180 11.632 -7.977 1.00 0.00 C ATOM 1140 CG GLN A 72 -6.335 11.536 -8.959 1.00 0.00 C ATOM 1141 CD GLN A 72 -6.270 12.598 -10.038 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -7.220 13.356 -10.236 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -5.147 12.657 -10.744 1.00 0.00 N ATOM 0 H GLN A 72 -5.497 12.152 -5.569 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.966 9.814 -7.155 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.199 12.613 -7.501 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.241 11.562 -8.525 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.331 10.550 -9.424 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.276 11.630 -8.418 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -4.385 12.009 -10.545 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.046 13.351 -11.485 1.00 0.00 H new ATOM 1152 N GLU A 73 -2.978 10.397 -5.966 1.00 0.00 N ATOM 1153 CA GLU A 73 -1.648 9.839 -5.783 1.00 0.00 C ATOM 1154 C GLU A 73 -1.726 8.415 -5.250 1.00 0.00 C ATOM 1155 O GLU A 73 -1.085 7.511 -5.783 1.00 0.00 O ATOM 1156 CB GLU A 73 -0.829 10.711 -4.828 1.00 0.00 C ATOM 1157 CG GLU A 73 -0.005 11.776 -5.533 1.00 0.00 C ATOM 1158 CD GLU A 73 1.230 11.206 -6.204 1.00 0.00 C ATOM 1159 OE1 GLU A 73 1.188 10.030 -6.623 1.00 0.00 O ATOM 1160 OE2 GLU A 73 2.238 11.936 -6.310 1.00 0.00 O ATOM 0 H GLU A 73 -3.170 11.222 -5.397 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.154 9.818 -6.755 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.504 11.194 -4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.163 10.073 -4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.623 12.274 -6.280 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.296 12.535 -4.811 1.00 0.00 H new ATOM 1167 N LEU A 74 -2.532 8.211 -4.209 1.00 0.00 N ATOM 1168 CA LEU A 74 -2.709 6.888 -3.626 1.00 0.00 C ATOM 1169 C LEU A 74 -3.435 5.967 -4.597 1.00 0.00 C ATOM 1170 O LEU A 74 -3.061 4.811 -4.773 1.00 0.00 O ATOM 1171 CB LEU A 74 -3.487 6.990 -2.313 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.856 7.897 -1.256 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -3.923 8.467 -0.335 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -1.811 7.133 -0.454 1.00 0.00 C ATOM 0 H LEU A 74 -3.072 8.947 -3.754 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.725 6.466 -3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.491 7.355 -2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.595 5.990 -1.894 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.363 8.726 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.455 9.110 0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.635 9.049 -0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.445 7.652 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.372 7.793 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.282 6.285 0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.030 6.773 -1.124 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.491 6.489 -5.211 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.294 5.716 -6.155 1.00 0.00 C ATOM 1188 C ASN A 75 -4.427 5.087 -7.241 1.00 0.00 C ATOM 1189 O ASN A 75 -4.629 3.931 -7.616 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.361 6.608 -6.791 1.00 0.00 C ATOM 1191 CG ASN A 75 -7.683 6.540 -6.053 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -8.223 5.458 -5.820 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -8.212 7.700 -5.682 1.00 0.00 N ATOM 0 H ASN A 75 -4.813 7.447 -5.072 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.777 4.911 -5.601 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.008 7.639 -6.805 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.511 6.308 -7.828 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -9.101 7.719 -5.183 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.729 8.573 -5.896 1.00 0.00 H new ATOM 1200 N THR A 76 -3.468 5.850 -7.747 1.00 0.00 N ATOM 1201 CA THR A 76 -2.578 5.361 -8.795 1.00 0.00 C ATOM 1202 C THR A 76 -1.457 4.499 -8.218 1.00 0.00 C ATOM 1203 O THR A 76 -1.002 3.550 -8.855 1.00 0.00 O ATOM 1204 CB THR A 76 -1.983 6.534 -9.576 1.00 0.00 C ATOM 1205 OG1 THR A 76 -1.220 6.068 -10.675 1.00 0.00 O ATOM 1206 CG2 THR A 76 -1.085 7.419 -8.739 1.00 0.00 C ATOM 0 H THR A 76 -3.285 6.809 -7.451 1.00 0.00 H new ATOM 0 HA THR A 76 -3.169 4.742 -9.470 1.00 0.00 H new ATOM 0 HB THR A 76 -2.839 7.122 -9.908 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.849 6.832 -11.163 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.697 8.230 -9.355 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.656 7.835 -7.909 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.254 6.830 -8.350 1.00 0.00 H new ATOM 1214 N LEU A 77 -1.002 4.846 -7.018 1.00 0.00 N ATOM 1215 CA LEU A 77 0.081 4.114 -6.366 1.00 0.00 C ATOM 1216 C LEU A 77 -0.381 2.753 -5.843 1.00 0.00 C ATOM 1217 O LEU A 77 0.408 1.812 -5.765 1.00 0.00 O ATOM 1218 CB LEU A 77 0.657 4.949 -5.218 1.00 0.00 C ATOM 1219 CG LEU A 77 2.015 5.590 -5.507 1.00 0.00 C ATOM 1220 CD1 LEU A 77 2.344 6.642 -4.461 1.00 0.00 C ATOM 1221 CD2 LEU A 77 3.103 4.527 -5.558 1.00 0.00 C ATOM 0 H LEU A 77 -1.366 5.630 -6.476 1.00 0.00 H new ATOM 0 HA LEU A 77 0.854 3.933 -7.113 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.054 5.736 -4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.751 4.313 -4.338 1.00 0.00 H new ATOM 0 HG LEU A 77 1.965 6.080 -6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.314 7.086 -4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.578 7.418 -4.472 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.376 6.178 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.064 4.999 -5.765 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.152 4.010 -4.600 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.874 3.810 -6.346 1.00 0.00 H new ATOM 1233 N ALA A 78 -1.652 2.660 -5.469 1.00 0.00 N ATOM 1234 CA ALA A 78 -2.207 1.419 -4.935 1.00 0.00 C ATOM 1235 C ALA A 78 -2.447 0.376 -6.024 1.00 0.00 C ATOM 1236 O ALA A 78 -2.386 -0.826 -5.763 1.00 0.00 O ATOM 1237 CB ALA A 78 -3.501 1.705 -4.190 1.00 0.00 C ATOM 0 H ALA A 78 -2.319 3.429 -5.525 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.472 1.004 -4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.907 0.774 -3.796 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.303 2.392 -3.367 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.222 2.155 -4.873 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.732 0.832 -7.240 1.00 0.00 N ATOM 1244 CA ASN A 79 -2.992 -0.081 -8.349 1.00 0.00 C ATOM 1245 C ASN A 79 -1.815 -1.033 -8.582 1.00 0.00 C ATOM 1246 O ASN A 79 -2.005 -2.246 -8.671 1.00 0.00 O ATOM 1247 CB ASN A 79 -3.282 0.711 -9.626 1.00 0.00 C ATOM 1248 CG ASN A 79 -4.763 0.973 -9.818 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -5.566 0.043 -9.889 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -5.132 2.247 -9.904 1.00 0.00 N ATOM 0 H ASN A 79 -2.789 1.821 -7.482 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.864 -0.681 -8.088 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.749 1.661 -9.590 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.898 0.162 -10.486 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.115 2.486 -10.034 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.432 2.986 -9.840 1.00 0.00 H new ATOM 1257 N PRO A 80 -0.583 -0.502 -8.683 1.00 0.00 N ATOM 1258 CA PRO A 80 0.611 -1.325 -8.907 1.00 0.00 C ATOM 1259 C PRO A 80 0.973 -2.178 -7.694 1.00 0.00 C ATOM 1260 O PRO A 80 1.399 -3.327 -7.836 1.00 0.00 O ATOM 1261 CB PRO A 80 1.711 -0.298 -9.184 1.00 0.00 C ATOM 1262 CG PRO A 80 1.246 0.952 -8.522 1.00 0.00 C ATOM 1263 CD PRO A 80 -0.256 0.935 -8.603 1.00 0.00 C ATOM 0 HA PRO A 80 0.460 -2.038 -9.718 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.668 -0.626 -8.780 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.851 -0.149 -10.255 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.580 0.991 -7.485 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.653 1.832 -9.021 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.710 1.401 -7.729 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.617 1.478 -9.477 1.00 0.00 H new ATOM 1271 N PHE A 81 0.794 -1.621 -6.499 1.00 0.00 N ATOM 1272 CA PHE A 81 1.098 -2.336 -5.265 1.00 0.00 C ATOM 1273 C PHE A 81 0.180 -3.540 -5.101 1.00 0.00 C ATOM 1274 O PHE A 81 0.638 -4.665 -4.894 1.00 0.00 O ATOM 1275 CB PHE A 81 0.944 -1.381 -4.076 1.00 0.00 C ATOM 1276 CG PHE A 81 1.053 -2.029 -2.720 1.00 0.00 C ATOM 1277 CD1 PHE A 81 1.681 -3.254 -2.555 1.00 0.00 C ATOM 1278 CD2 PHE A 81 0.528 -1.394 -1.606 1.00 0.00 C ATOM 1279 CE1 PHE A 81 1.779 -3.833 -1.302 1.00 0.00 C ATOM 1280 CE2 PHE A 81 0.624 -1.967 -0.353 1.00 0.00 C ATOM 1281 CZ PHE A 81 1.250 -3.188 -0.200 1.00 0.00 C ATOM 0 H PHE A 81 0.439 -0.675 -6.360 1.00 0.00 H new ATOM 0 HA PHE A 81 2.125 -2.699 -5.307 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.704 -0.604 -4.153 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.025 -0.887 -4.149 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.098 -3.761 -3.413 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.037 -0.439 -1.719 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.269 -4.789 -1.185 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.210 -1.460 0.506 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.326 -3.638 0.779 1.00 0.00 H new ATOM 1291 N LEU A 82 -1.122 -3.295 -5.199 1.00 0.00 N ATOM 1292 CA LEU A 82 -2.104 -4.360 -5.065 1.00 0.00 C ATOM 1293 C LEU A 82 -1.843 -5.460 -6.085 1.00 0.00 C ATOM 1294 O LEU A 82 -2.129 -6.630 -5.832 1.00 0.00 O ATOM 1295 CB LEU A 82 -3.521 -3.809 -5.233 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.954 -2.805 -4.163 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -5.120 -1.965 -4.658 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -4.323 -3.527 -2.875 1.00 0.00 C ATOM 0 H LEU A 82 -1.519 -2.371 -5.370 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.012 -4.784 -4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.596 -3.331 -6.210 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.222 -4.644 -5.232 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.116 -2.139 -3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.413 -1.257 -3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.821 -1.420 -5.553 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.963 -2.615 -4.893 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.629 -2.798 -2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.145 -4.217 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.460 -4.084 -2.510 1.00 0.00 H new ATOM 1310 N ALA A 83 -1.286 -5.083 -7.233 1.00 0.00 N ATOM 1311 CA ALA A 83 -0.976 -6.046 -8.279 1.00 0.00 C ATOM 1312 C ALA A 83 0.159 -6.962 -7.843 1.00 0.00 C ATOM 1313 O ALA A 83 0.065 -8.183 -7.965 1.00 0.00 O ATOM 1314 CB ALA A 83 -0.613 -5.327 -9.569 1.00 0.00 C ATOM 0 H ALA A 83 -1.042 -4.119 -7.460 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.860 -6.657 -8.459 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.384 -6.060 -10.342 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.453 -4.711 -9.891 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.258 -4.694 -9.400 1.00 0.00 H new ATOM 1320 N LYS A 84 1.232 -6.368 -7.321 1.00 0.00 N ATOM 1321 CA LYS A 84 2.376 -7.146 -6.855 1.00 0.00 C ATOM 1322 C LYS A 84 1.934 -8.157 -5.805 1.00 0.00 C ATOM 1323 O LYS A 84 2.366 -9.311 -5.815 1.00 0.00 O ATOM 1324 CB LYS A 84 3.458 -6.231 -6.272 1.00 0.00 C ATOM 1325 CG LYS A 84 4.590 -5.936 -7.243 1.00 0.00 C ATOM 1326 CD LYS A 84 4.140 -5.010 -8.362 1.00 0.00 C ATOM 1327 CE LYS A 84 3.672 -5.794 -9.576 1.00 0.00 C ATOM 1328 NZ LYS A 84 4.762 -6.629 -10.151 1.00 0.00 N ATOM 0 H LYS A 84 1.332 -5.359 -7.211 1.00 0.00 H new ATOM 0 HA LYS A 84 2.795 -7.677 -7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.000 -5.291 -5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.870 -6.694 -5.376 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.422 -5.481 -6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.958 -6.870 -7.668 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.331 -4.372 -8.005 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.962 -4.354 -8.646 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.835 -6.433 -9.295 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.305 -5.103 -10.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.616 -6.733 -11.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.679 -6.171 -9.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.753 -7.568 -9.703 1.00 0.00 H new ATOM 1342 N TYR A 85 1.058 -7.719 -4.908 1.00 0.00 N ATOM 1343 CA TYR A 85 0.551 -8.596 -3.863 1.00 0.00 C ATOM 1344 C TYR A 85 -0.456 -9.580 -4.442 1.00 0.00 C ATOM 1345 O TYR A 85 -0.545 -10.723 -3.998 1.00 0.00 O ATOM 1346 CB TYR A 85 -0.074 -7.794 -2.722 1.00 0.00 C ATOM 1347 CG TYR A 85 0.354 -8.291 -1.360 1.00 0.00 C ATOM 1348 CD1 TYR A 85 1.699 -8.338 -1.014 1.00 0.00 C ATOM 1349 CD2 TYR A 85 -0.578 -8.729 -0.428 1.00 0.00 C ATOM 1350 CE1 TYR A 85 2.104 -8.802 0.223 1.00 0.00 C ATOM 1351 CE2 TYR A 85 -0.183 -9.193 0.813 1.00 0.00 C ATOM 1352 CZ TYR A 85 1.160 -9.229 1.132 1.00 0.00 C ATOM 1353 OH TYR A 85 1.558 -9.694 2.364 1.00 0.00 O ATOM 0 H TYR A 85 0.687 -6.769 -4.884 1.00 0.00 H new ATOM 0 HA TYR A 85 1.392 -9.156 -3.453 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.203 -6.745 -2.826 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.160 -7.846 -2.799 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.441 -8.006 -1.725 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -1.629 -8.707 -0.677 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.154 -8.830 0.476 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.920 -9.525 1.529 1.00 0.00 H new ATOM 0 HH TYR A 85 1.220 -10.604 2.495 1.00 0.00 H new ATOM 1363 N ARG A 86 -1.202 -9.137 -5.449 1.00 0.00 N ATOM 1364 CA ARG A 86 -2.183 -9.989 -6.101 1.00 0.00 C ATOM 1365 C ARG A 86 -1.472 -11.163 -6.769 1.00 0.00 C ATOM 1366 O ARG A 86 -1.918 -12.307 -6.682 1.00 0.00 O ATOM 1367 CB ARG A 86 -2.993 -9.155 -7.112 1.00 0.00 C ATOM 1368 CG ARG A 86 -3.201 -9.804 -8.475 1.00 0.00 C ATOM 1369 CD ARG A 86 -4.537 -10.526 -8.551 1.00 0.00 C ATOM 1370 NE ARG A 86 -5.639 -9.605 -8.826 1.00 0.00 N ATOM 1371 CZ ARG A 86 -6.435 -9.088 -7.889 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -6.272 -9.407 -6.610 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -7.399 -8.246 -8.235 1.00 0.00 N ATOM 0 H ARG A 86 -1.144 -8.192 -5.829 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.881 -10.396 -5.369 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.969 -8.938 -6.679 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.489 -8.200 -7.256 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.153 -9.042 -9.253 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.393 -10.510 -8.670 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.495 -11.286 -9.331 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.723 -11.045 -7.611 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.810 -9.341 -9.796 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.532 -10.053 -6.336 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.887 -9.006 -5.902 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.530 -7.996 -9.215 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.010 -7.849 -7.521 1.00 0.00 H new ATOM 1387 N ASP A 87 -0.349 -10.865 -7.417 1.00 0.00 N ATOM 1388 CA ASP A 87 0.450 -11.888 -8.082 1.00 0.00 C ATOM 1389 C ASP A 87 1.170 -12.742 -7.044 1.00 0.00 C ATOM 1390 O ASP A 87 1.384 -13.936 -7.241 1.00 0.00 O ATOM 1391 CB ASP A 87 1.463 -11.244 -9.032 1.00 0.00 C ATOM 1392 CG ASP A 87 1.444 -11.876 -10.411 1.00 0.00 C ATOM 1393 OD1 ASP A 87 0.441 -11.696 -11.132 1.00 0.00 O ATOM 1394 OD2 ASP A 87 2.434 -12.548 -10.770 1.00 0.00 O ATOM 0 H ASP A 87 0.028 -9.921 -7.495 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.214 -12.525 -8.667 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.248 -10.179 -9.120 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.463 -11.334 -8.608 1.00 0.00 H new ATOM 1399 N PHE A 88 1.532 -12.107 -5.936 1.00 0.00 N ATOM 1400 CA PHE A 88 2.223 -12.776 -4.840 1.00 0.00 C ATOM 1401 C PHE A 88 1.276 -13.702 -4.078 1.00 0.00 C ATOM 1402 O PHE A 88 1.695 -14.716 -3.519 1.00 0.00 O ATOM 1403 CB PHE A 88 2.811 -11.735 -3.889 1.00 0.00 C ATOM 1404 CG PHE A 88 3.763 -12.306 -2.882 1.00 0.00 C ATOM 1405 CD1 PHE A 88 4.705 -13.253 -3.252 1.00 0.00 C ATOM 1406 CD2 PHE A 88 3.716 -11.893 -1.561 1.00 0.00 C ATOM 1407 CE1 PHE A 88 5.584 -13.775 -2.323 1.00 0.00 C ATOM 1408 CE2 PHE A 88 4.591 -12.411 -0.629 1.00 0.00 C ATOM 1409 CZ PHE A 88 5.527 -13.353 -1.009 1.00 0.00 C ATOM 0 H PHE A 88 1.355 -11.116 -5.772 1.00 0.00 H new ATOM 0 HA PHE A 88 3.027 -13.382 -5.259 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.328 -10.974 -4.473 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.997 -11.236 -3.363 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.752 -13.587 -4.278 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.986 -11.157 -1.257 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.314 -14.512 -2.623 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.544 -12.080 0.398 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.213 -13.759 -0.280 1.00 0.00 H new ATOM 1419 N LEU A 89 -0.005 -13.350 -4.079 1.00 0.00 N ATOM 1420 CA LEU A 89 -1.011 -14.161 -3.403 1.00 0.00 C ATOM 1421 C LEU A 89 -1.367 -15.376 -4.261 1.00 0.00 C ATOM 1422 O LEU A 89 -1.467 -16.499 -3.766 1.00 0.00 O ATOM 1423 CB LEU A 89 -2.263 -13.326 -3.122 1.00 0.00 C ATOM 1424 CG LEU A 89 -2.344 -12.718 -1.717 1.00 0.00 C ATOM 1425 CD1 LEU A 89 -2.740 -13.777 -0.700 1.00 0.00 C ATOM 1426 CD2 LEU A 89 -1.020 -12.072 -1.329 1.00 0.00 C ATOM 0 H LEU A 89 -0.370 -12.515 -4.537 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.604 -14.508 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.313 -12.519 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.141 -13.953 -3.280 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.110 -11.943 -1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.793 -13.328 0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.714 -14.189 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.997 -14.575 -0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.102 -11.647 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.231 -12.824 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.779 -11.282 -2.040 1.00 0.00 H new