USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 593 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 42 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0259) USER MOD Set 1.2: A 44 TYR OH : rot 180:sc= -0.0711 USER MOD Single : A 14 HIS : no HD1:sc= -2.56! K(o=-2.6!,f=-1.1) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 24 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.2) USER MOD Single : A 26 MET CE :methyl -130:sc= -3.26 (180deg=-4.47!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0631 K(o=-0.063,f=-1.5!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -132:sc= 1.04 USER MOD Single : A 72 SER OG : rot 76:sc= 0.167 USER MOD Single : A 73 HIS : no HE2:sc= -0.132 K(o=-0.13,f=-2.9!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 180:sc= -0.153 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 10 -0.028 6.164 -4.734 1.00 0.00 N ATOM 98 CA VAL A 10 -0.837 5.546 -3.691 1.00 0.00 C ATOM 99 C VAL A 10 -1.550 4.303 -4.211 1.00 0.00 C ATOM 100 O VAL A 10 -2.263 4.357 -5.214 1.00 0.00 O ATOM 101 CB VAL A 10 -1.884 6.530 -3.136 1.00 0.00 C ATOM 102 CG1 VAL A 10 -2.848 6.958 -4.231 1.00 0.00 C ATOM 103 CG2 VAL A 10 -2.634 5.907 -1.968 1.00 0.00 C ATOM 0 HA VAL A 10 -0.155 5.261 -2.890 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.366 7.418 -2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.580 7.653 -3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.294 7.447 -5.033 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.362 6.082 -4.626 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.370 6.616 -1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.141 5.002 -2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.929 5.656 -1.175 1.00 0.00 H new ATOM 113 N LEU A 11 -1.354 3.184 -3.523 1.00 0.00 N ATOM 114 CA LEU A 11 -1.978 1.925 -3.916 1.00 0.00 C ATOM 115 C LEU A 11 -3.092 1.544 -2.945 1.00 0.00 C ATOM 116 O LEU A 11 -2.869 1.441 -1.739 1.00 0.00 O ATOM 117 CB LEU A 11 -0.933 0.810 -3.973 1.00 0.00 C ATOM 118 CG LEU A 11 -1.475 -0.620 -3.954 1.00 0.00 C ATOM 119 CD1 LEU A 11 -1.938 -1.033 -5.343 1.00 0.00 C ATOM 120 CD2 LEU A 11 -0.419 -1.584 -3.433 1.00 0.00 C ATOM 0 H LEU A 11 -0.768 3.122 -2.690 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.413 2.057 -4.907 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.341 0.941 -4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.255 0.931 -3.128 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.332 -0.655 -3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.321 -2.053 -5.311 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.727 -0.360 -5.679 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.099 -0.982 -6.036 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.822 -2.597 -3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.458 -1.547 -4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.135 -1.300 -2.420 1.00 0.00 H new ATOM 132 N ASP A 12 -4.290 1.335 -3.480 1.00 0.00 N ATOM 133 CA ASP A 12 -5.438 0.961 -2.662 1.00 0.00 C ATOM 134 C ASP A 12 -5.536 -0.554 -2.523 1.00 0.00 C ATOM 135 O ASP A 12 -5.797 -1.262 -3.496 1.00 0.00 O ATOM 136 CB ASP A 12 -6.727 1.515 -3.271 1.00 0.00 C ATOM 137 CG ASP A 12 -7.288 0.614 -4.354 1.00 0.00 C ATOM 138 OD1 ASP A 12 -8.087 -0.286 -4.021 1.00 0.00 O ATOM 139 OD2 ASP A 12 -6.929 0.810 -5.534 1.00 0.00 O ATOM 0 H ASP A 12 -4.491 1.418 -4.476 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.301 1.390 -1.669 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.472 1.641 -2.485 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.533 2.503 -3.688 1.00 0.00 H new ATOM 144 N LEU A 13 -5.325 -1.047 -1.307 1.00 0.00 N ATOM 145 CA LEU A 13 -5.389 -2.479 -1.040 1.00 0.00 C ATOM 146 C LEU A 13 -6.806 -2.900 -0.663 1.00 0.00 C ATOM 147 O LEU A 13 -7.198 -4.050 -0.867 1.00 0.00 O ATOM 148 CB LEU A 13 -4.418 -2.853 0.082 1.00 0.00 C ATOM 149 CG LEU A 13 -2.943 -2.945 -0.310 1.00 0.00 C ATOM 150 CD1 LEU A 13 -2.101 -3.380 0.879 1.00 0.00 C ATOM 151 CD2 LEU A 13 -2.760 -3.908 -1.475 1.00 0.00 C ATOM 0 H LEU A 13 -5.108 -0.475 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.103 -3.006 -1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.516 -2.117 0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.724 -3.814 0.495 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.608 -1.957 -0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.054 -3.440 0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.208 -2.654 1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.437 -4.358 1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.704 -3.961 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.112 -4.899 -1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.333 -3.555 -2.333 1.00 0.00 H new ATOM 163 N HIS A 14 -7.570 -1.962 -0.114 1.00 0.00 N ATOM 164 CA HIS A 14 -8.945 -2.235 0.289 1.00 0.00 C ATOM 165 C HIS A 14 -9.733 -2.860 -0.858 1.00 0.00 C ATOM 166 O HIS A 14 -9.795 -2.308 -1.955 1.00 0.00 O ATOM 167 CB HIS A 14 -9.629 -0.947 0.751 1.00 0.00 C ATOM 168 CG HIS A 14 -10.280 -0.183 -0.361 1.00 0.00 C ATOM 169 ND1 HIS A 14 -9.745 0.970 -0.895 1.00 0.00 N ATOM 170 CD2 HIS A 14 -11.427 -0.414 -1.041 1.00 0.00 C ATOM 171 CE1 HIS A 14 -10.536 1.417 -1.854 1.00 0.00 C ATOM 172 NE2 HIS A 14 -11.564 0.594 -1.963 1.00 0.00 N ATOM 0 H HIS A 14 -7.261 -1.006 0.062 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.921 -2.942 1.118 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.381 -1.193 1.501 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.892 -0.308 1.237 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -12.108 -1.238 -0.887 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -10.371 2.304 -2.448 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.334 0.692 -2.625 1.00 0.00 H new ATOM 180 N GLY A 15 -10.334 -4.017 -0.595 1.00 0.00 N ATOM 181 CA GLY A 15 -11.109 -4.699 -1.615 1.00 0.00 C ATOM 182 C GLY A 15 -10.530 -6.052 -1.976 1.00 0.00 C ATOM 183 O GLY A 15 -11.261 -6.968 -2.355 1.00 0.00 O ATOM 0 H GLY A 15 -10.298 -4.494 0.306 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.133 -4.828 -1.264 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.155 -4.077 -2.509 1.00 0.00 H new ATOM 187 N LEU A 16 -9.212 -6.180 -1.860 1.00 0.00 N ATOM 188 CA LEU A 16 -8.534 -7.431 -2.178 1.00 0.00 C ATOM 189 C LEU A 16 -8.440 -8.328 -0.948 1.00 0.00 C ATOM 190 O LEU A 16 -8.863 -7.948 0.144 1.00 0.00 O ATOM 191 CB LEU A 16 -7.134 -7.150 -2.727 1.00 0.00 C ATOM 192 CG LEU A 16 -7.067 -6.652 -4.171 1.00 0.00 C ATOM 193 CD1 LEU A 16 -5.834 -5.786 -4.380 1.00 0.00 C ATOM 194 CD2 LEU A 16 -7.067 -7.826 -5.140 1.00 0.00 C ATOM 0 H LEU A 16 -8.592 -5.432 -1.548 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.119 -7.949 -2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.656 -6.409 -2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.546 -8.064 -2.651 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.950 -6.044 -4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.803 -5.441 -5.413 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.876 -4.926 -3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.939 -6.370 -4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.019 -7.453 -6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.202 -8.460 -4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.980 -8.407 -5.008 1.00 0.00 H new ATOM 206 N HIS A 17 -7.880 -9.519 -1.132 1.00 0.00 N ATOM 207 CA HIS A 17 -7.727 -10.470 -0.036 1.00 0.00 C ATOM 208 C HIS A 17 -6.344 -10.351 0.598 1.00 0.00 C ATOM 209 O HIS A 17 -5.360 -10.063 -0.084 1.00 0.00 O ATOM 210 CB HIS A 17 -7.950 -11.897 -0.536 1.00 0.00 C ATOM 211 CG HIS A 17 -8.283 -12.869 0.555 1.00 0.00 C ATOM 212 ND1 HIS A 17 -7.508 -13.971 0.843 1.00 0.00 N ATOM 213 CD2 HIS A 17 -9.315 -12.897 1.430 1.00 0.00 C ATOM 214 CE1 HIS A 17 -8.049 -14.637 1.848 1.00 0.00 C ATOM 215 NE2 HIS A 17 -9.147 -14.005 2.223 1.00 0.00 N ATOM 0 H HIS A 17 -7.525 -9.849 -2.029 1.00 0.00 H new ATOM 0 HA HIS A 17 -8.476 -10.237 0.721 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.757 -11.895 -1.268 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -7.052 -12.237 -1.053 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -10.121 -12.181 1.493 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.660 -15.543 2.288 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -9.769 -14.293 2.979 1.00 0.00 H new ATOM 223 N VAL A 18 -6.277 -10.573 1.907 1.00 0.00 N ATOM 224 CA VAL A 18 -5.015 -10.491 2.632 1.00 0.00 C ATOM 225 C VAL A 18 -3.852 -10.962 1.767 1.00 0.00 C ATOM 226 O VAL A 18 -2.865 -10.247 1.591 1.00 0.00 O ATOM 227 CB VAL A 18 -5.054 -11.331 3.923 1.00 0.00 C ATOM 228 CG1 VAL A 18 -3.673 -11.400 4.557 1.00 0.00 C ATOM 229 CG2 VAL A 18 -6.070 -10.759 4.900 1.00 0.00 C ATOM 0 H VAL A 18 -7.082 -10.811 2.487 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.868 -9.443 2.893 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.361 -12.345 3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.720 -11.997 5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.974 -11.859 3.858 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.334 -10.393 4.801 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.084 -11.365 5.806 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.795 -9.735 5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.059 -10.767 4.442 1.00 0.00 H new ATOM 239 N ASP A 19 -3.974 -12.170 1.228 1.00 0.00 N ATOM 240 CA ASP A 19 -2.933 -12.737 0.378 1.00 0.00 C ATOM 241 C ASP A 19 -2.626 -11.813 -0.795 1.00 0.00 C ATOM 242 O ASP A 19 -1.466 -11.501 -1.064 1.00 0.00 O ATOM 243 CB ASP A 19 -3.360 -14.112 -0.138 1.00 0.00 C ATOM 244 CG ASP A 19 -2.989 -15.230 0.816 1.00 0.00 C ATOM 245 OD1 ASP A 19 -1.959 -15.099 1.510 1.00 0.00 O ATOM 246 OD2 ASP A 19 -3.727 -16.236 0.868 1.00 0.00 O ATOM 0 H ASP A 19 -4.783 -12.776 1.364 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.029 -12.846 0.977 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.438 -14.118 -0.298 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.893 -14.295 -1.106 1.00 0.00 H new ATOM 251 N GLU A 20 -3.672 -11.378 -1.490 1.00 0.00 N ATOM 252 CA GLU A 20 -3.512 -10.491 -2.636 1.00 0.00 C ATOM 253 C GLU A 20 -2.795 -9.206 -2.233 1.00 0.00 C ATOM 254 O GLU A 20 -1.671 -8.948 -2.664 1.00 0.00 O ATOM 255 CB GLU A 20 -4.876 -10.157 -3.245 1.00 0.00 C ATOM 256 CG GLU A 20 -5.332 -11.153 -4.298 1.00 0.00 C ATOM 257 CD GLU A 20 -5.519 -12.549 -3.738 1.00 0.00 C ATOM 258 OE1 GLU A 20 -4.506 -13.192 -3.393 1.00 0.00 O ATOM 259 OE2 GLU A 20 -6.681 -12.999 -3.644 1.00 0.00 O ATOM 0 H GLU A 20 -4.639 -11.625 -1.280 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.906 -11.007 -3.381 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.620 -10.116 -2.449 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.832 -9.164 -3.691 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.271 -10.811 -4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.600 -11.184 -5.105 1.00 0.00 H new ATOM 266 N ALA A 21 -3.453 -8.402 -1.404 1.00 0.00 N ATOM 267 CA ALA A 21 -2.879 -7.145 -0.941 1.00 0.00 C ATOM 268 C ALA A 21 -1.378 -7.280 -0.709 1.00 0.00 C ATOM 269 O ALA A 21 -0.591 -6.450 -1.168 1.00 0.00 O ATOM 270 CB ALA A 21 -3.572 -6.685 0.333 1.00 0.00 C ATOM 0 H ALA A 21 -4.385 -8.599 -1.039 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.035 -6.396 -1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.133 -5.745 0.667 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.634 -6.540 0.137 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.446 -7.440 1.109 1.00 0.00 H new ATOM 276 N LEU A 22 -0.986 -8.329 0.006 1.00 0.00 N ATOM 277 CA LEU A 22 0.422 -8.572 0.299 1.00 0.00 C ATOM 278 C LEU A 22 1.247 -8.612 -0.983 1.00 0.00 C ATOM 279 O LEU A 22 2.171 -7.819 -1.162 1.00 0.00 O ATOM 280 CB LEU A 22 0.584 -9.887 1.064 1.00 0.00 C ATOM 281 CG LEU A 22 0.330 -9.822 2.571 1.00 0.00 C ATOM 282 CD1 LEU A 22 0.361 -11.217 3.177 1.00 0.00 C ATOM 283 CD2 LEU A 22 1.354 -8.922 3.246 1.00 0.00 C ATOM 0 H LEU A 22 -1.623 -9.025 0.393 1.00 0.00 H new ATOM 0 HA LEU A 22 0.786 -7.751 0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.096 -10.621 0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.597 -10.256 0.902 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.661 -9.398 2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.178 -11.152 4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.411 -11.832 2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.338 -11.668 3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.158 -8.888 4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.355 -9.316 3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.284 -7.916 2.832 1.00 0.00 H new ATOM 295 N GLU A 23 0.904 -9.538 -1.873 1.00 0.00 N ATOM 296 CA GLU A 23 1.613 -9.679 -3.139 1.00 0.00 C ATOM 297 C GLU A 23 1.750 -8.330 -3.839 1.00 0.00 C ATOM 298 O GLU A 23 2.835 -7.957 -4.287 1.00 0.00 O ATOM 299 CB GLU A 23 0.882 -10.667 -4.051 1.00 0.00 C ATOM 300 CG GLU A 23 0.955 -12.107 -3.571 1.00 0.00 C ATOM 301 CD GLU A 23 0.468 -13.095 -4.613 1.00 0.00 C ATOM 302 OE1 GLU A 23 0.915 -12.999 -5.775 1.00 0.00 O ATOM 303 OE2 GLU A 23 -0.360 -13.963 -4.267 1.00 0.00 O ATOM 0 H GLU A 23 0.140 -10.201 -1.741 1.00 0.00 H new ATOM 0 HA GLU A 23 2.611 -10.062 -2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.164 -10.371 -4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.306 -10.605 -5.053 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.984 -12.345 -3.303 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.357 -12.215 -2.666 1.00 0.00 H new ATOM 310 N HIS A 24 0.641 -7.602 -3.931 1.00 0.00 N ATOM 311 CA HIS A 24 0.636 -6.294 -4.576 1.00 0.00 C ATOM 312 C HIS A 24 1.542 -5.318 -3.832 1.00 0.00 C ATOM 313 O HIS A 24 2.262 -4.530 -4.447 1.00 0.00 O ATOM 314 CB HIS A 24 -0.787 -5.739 -4.642 1.00 0.00 C ATOM 315 CG HIS A 24 -1.523 -6.124 -5.888 1.00 0.00 C ATOM 316 ND1 HIS A 24 -1.041 -5.872 -7.155 1.00 0.00 N ATOM 317 CD2 HIS A 24 -2.713 -6.748 -6.056 1.00 0.00 C ATOM 318 CE1 HIS A 24 -1.903 -6.322 -8.049 1.00 0.00 C ATOM 319 NE2 HIS A 24 -2.926 -6.859 -7.408 1.00 0.00 N ATOM 0 H HIS A 24 -0.265 -7.896 -3.567 1.00 0.00 H new ATOM 0 HA HIS A 24 1.017 -6.415 -5.590 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.346 -6.092 -3.776 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.748 -4.652 -4.574 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.372 -7.094 -5.273 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.791 -6.261 -9.121 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.742 -7.287 -7.846 1.00 0.00 H new ATOM 327 N LEU A 25 1.501 -5.374 -2.505 1.00 0.00 N ATOM 328 CA LEU A 25 2.318 -4.494 -1.676 1.00 0.00 C ATOM 329 C LEU A 25 3.799 -4.661 -2.000 1.00 0.00 C ATOM 330 O LEU A 25 4.560 -3.694 -1.986 1.00 0.00 O ATOM 331 CB LEU A 25 2.072 -4.784 -0.195 1.00 0.00 C ATOM 332 CG LEU A 25 2.974 -4.043 0.793 1.00 0.00 C ATOM 333 CD1 LEU A 25 2.351 -2.715 1.192 1.00 0.00 C ATOM 334 CD2 LEU A 25 3.238 -4.901 2.021 1.00 0.00 C ATOM 0 H LEU A 25 0.911 -6.019 -1.980 1.00 0.00 H new ATOM 0 HA LEU A 25 2.032 -3.464 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.035 -4.538 0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.190 -5.855 -0.031 1.00 0.00 H new ATOM 0 HG LEU A 25 3.927 -3.841 0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.007 -2.202 1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.215 -2.096 0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.384 -2.893 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.881 -4.358 2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.293 -5.135 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.729 -5.826 1.720 1.00 0.00 H new ATOM 346 N MET A 26 4.200 -5.894 -2.293 1.00 0.00 N ATOM 347 CA MET A 26 5.590 -6.187 -2.624 1.00 0.00 C ATOM 348 C MET A 26 5.925 -5.710 -4.033 1.00 0.00 C ATOM 349 O MET A 26 6.912 -5.004 -4.242 1.00 0.00 O ATOM 350 CB MET A 26 5.860 -7.688 -2.503 1.00 0.00 C ATOM 351 CG MET A 26 5.502 -8.262 -1.142 1.00 0.00 C ATOM 352 SD MET A 26 5.698 -10.053 -1.070 1.00 0.00 S ATOM 353 CE MET A 26 4.022 -10.563 -0.699 1.00 0.00 C ATOM 0 H MET A 26 3.583 -6.706 -2.308 1.00 0.00 H new ATOM 0 HA MET A 26 6.226 -5.653 -1.918 1.00 0.00 H new ATOM 0 HB2 MET A 26 5.292 -8.214 -3.271 1.00 0.00 H new ATOM 0 HB3 MET A 26 6.915 -7.876 -2.701 1.00 0.00 H new ATOM 0 HG2 MET A 26 6.131 -7.801 -0.381 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.470 -8.003 -0.903 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.030 -11.250 0.147 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.422 -9.688 -0.450 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.593 -11.062 -1.568 1.00 0.00 H new ATOM 363 N ARG A 27 5.098 -6.100 -4.998 1.00 0.00 N ATOM 364 CA ARG A 27 5.308 -5.713 -6.388 1.00 0.00 C ATOM 365 C ARG A 27 5.338 -4.194 -6.531 1.00 0.00 C ATOM 366 O ARG A 27 6.212 -3.640 -7.197 1.00 0.00 O ATOM 367 CB ARG A 27 4.207 -6.298 -7.274 1.00 0.00 C ATOM 368 CG ARG A 27 4.419 -7.762 -7.623 1.00 0.00 C ATOM 369 CD ARG A 27 5.289 -7.920 -8.860 1.00 0.00 C ATOM 370 NE ARG A 27 4.696 -7.280 -10.031 1.00 0.00 N ATOM 371 CZ ARG A 27 5.043 -7.568 -11.281 1.00 0.00 C ATOM 372 NH1 ARG A 27 5.974 -8.481 -11.520 1.00 0.00 N ATOM 373 NH2 ARG A 27 4.457 -6.943 -12.294 1.00 0.00 N ATOM 0 H ARG A 27 4.276 -6.684 -4.843 1.00 0.00 H new ATOM 0 HA ARG A 27 6.272 -6.110 -6.708 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.248 -6.189 -6.767 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.148 -5.719 -8.195 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.885 -8.274 -6.781 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.454 -8.240 -7.792 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.272 -7.488 -8.670 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.440 -8.980 -9.064 1.00 0.00 H new ATOM 0 HE ARG A 27 3.976 -6.573 -9.881 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.426 -8.964 -10.744 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.239 -8.700 -12.480 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.740 -6.241 -12.114 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.724 -7.165 -13.253 1.00 0.00 H new ATOM 387 N VAL A 28 4.376 -3.526 -5.901 1.00 0.00 N ATOM 388 CA VAL A 28 4.292 -2.072 -5.957 1.00 0.00 C ATOM 389 C VAL A 28 5.456 -1.425 -5.215 1.00 0.00 C ATOM 390 O VAL A 28 5.896 -0.328 -5.562 1.00 0.00 O ATOM 391 CB VAL A 28 2.968 -1.562 -5.357 1.00 0.00 C ATOM 392 CG1 VAL A 28 1.789 -2.010 -6.207 1.00 0.00 C ATOM 393 CG2 VAL A 28 2.815 -2.043 -3.922 1.00 0.00 C ATOM 0 H VAL A 28 3.644 -3.969 -5.346 1.00 0.00 H new ATOM 0 HA VAL A 28 4.336 -1.793 -7.010 1.00 0.00 H new ATOM 0 HB VAL A 28 2.987 -0.472 -5.351 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.862 -1.640 -5.768 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.896 -1.612 -7.216 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.762 -3.099 -6.247 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.875 -1.674 -3.513 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.817 -3.133 -3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.644 -1.667 -3.322 1.00 0.00 H new ATOM 403 N LEU A 29 5.952 -2.111 -4.191 1.00 0.00 N ATOM 404 CA LEU A 29 7.067 -1.604 -3.398 1.00 0.00 C ATOM 405 C LEU A 29 8.334 -1.505 -4.241 1.00 0.00 C ATOM 406 O LEU A 29 9.140 -0.593 -4.062 1.00 0.00 O ATOM 407 CB LEU A 29 7.314 -2.511 -2.191 1.00 0.00 C ATOM 408 CG LEU A 29 6.563 -2.142 -0.910 1.00 0.00 C ATOM 409 CD1 LEU A 29 6.556 -3.313 0.060 1.00 0.00 C ATOM 410 CD2 LEU A 29 7.186 -0.914 -0.262 1.00 0.00 C ATOM 0 H LEU A 29 5.600 -3.020 -3.890 1.00 0.00 H new ATOM 0 HA LEU A 29 6.807 -0.605 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.044 -3.530 -2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.382 -2.512 -1.975 1.00 0.00 H new ATOM 0 HG LEU A 29 5.531 -1.907 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.018 -3.032 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.064 -4.167 -0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.581 -3.580 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.639 -0.666 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.227 -1.122 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.139 -0.074 -0.955 1.00 0.00 H new ATOM 422 N GLU A 30 8.502 -2.449 -5.162 1.00 0.00 N ATOM 423 CA GLU A 30 9.670 -2.466 -6.034 1.00 0.00 C ATOM 424 C GLU A 30 9.364 -1.792 -7.368 1.00 0.00 C ATOM 425 O GLU A 30 10.249 -1.225 -8.009 1.00 0.00 O ATOM 426 CB GLU A 30 10.136 -3.904 -6.271 1.00 0.00 C ATOM 427 CG GLU A 30 11.017 -4.450 -5.160 1.00 0.00 C ATOM 428 CD GLU A 30 11.753 -5.713 -5.566 1.00 0.00 C ATOM 429 OE1 GLU A 30 11.100 -6.773 -5.666 1.00 0.00 O ATOM 430 OE2 GLU A 30 12.980 -5.641 -5.784 1.00 0.00 O ATOM 0 H GLU A 30 7.844 -3.212 -5.323 1.00 0.00 H new ATOM 0 HA GLU A 30 10.467 -1.910 -5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.262 -4.547 -6.379 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.683 -3.949 -7.212 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.742 -3.689 -4.869 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.403 -4.657 -4.283 1.00 0.00 H new ATOM 437 N LYS A 31 8.103 -1.859 -7.782 1.00 0.00 N ATOM 438 CA LYS A 31 7.677 -1.256 -9.039 1.00 0.00 C ATOM 439 C LYS A 31 7.508 0.253 -8.889 1.00 0.00 C ATOM 440 O LYS A 31 8.101 1.032 -9.636 1.00 0.00 O ATOM 441 CB LYS A 31 6.362 -1.882 -9.510 1.00 0.00 C ATOM 442 CG LYS A 31 5.732 -1.160 -10.688 1.00 0.00 C ATOM 443 CD LYS A 31 6.278 -1.669 -12.011 1.00 0.00 C ATOM 444 CE LYS A 31 5.653 -3.001 -12.397 1.00 0.00 C ATOM 445 NZ LYS A 31 6.477 -3.731 -13.400 1.00 0.00 N ATOM 0 H LYS A 31 7.358 -2.325 -7.265 1.00 0.00 H new ATOM 0 HA LYS A 31 8.450 -1.446 -9.784 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.542 -2.921 -9.786 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.656 -1.890 -8.680 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.651 -1.296 -10.663 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.921 -0.090 -10.603 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.084 -0.935 -12.793 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.360 -1.781 -11.940 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.534 -3.618 -11.506 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.655 -2.830 -12.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.017 -4.633 -13.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.569 -3.153 -14.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.421 -3.917 -13.005 1.00 0.00 H new ATOM 459 N LYS A 32 6.698 0.659 -7.918 1.00 0.00 N ATOM 460 CA LYS A 32 6.453 2.075 -7.667 1.00 0.00 C ATOM 461 C LYS A 32 7.765 2.847 -7.584 1.00 0.00 C ATOM 462 O LYS A 32 8.049 3.703 -8.422 1.00 0.00 O ATOM 463 CB LYS A 32 5.660 2.254 -6.371 1.00 0.00 C ATOM 464 CG LYS A 32 4.301 1.575 -6.390 1.00 0.00 C ATOM 465 CD LYS A 32 3.275 2.402 -7.145 1.00 0.00 C ATOM 466 CE LYS A 32 1.932 1.692 -7.219 1.00 0.00 C ATOM 467 NZ LYS A 32 0.847 2.603 -7.678 1.00 0.00 N ATOM 0 H LYS A 32 6.199 0.028 -7.291 1.00 0.00 H new ATOM 0 HA LYS A 32 5.871 2.471 -8.499 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.243 1.857 -5.540 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.522 3.319 -6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.391 0.593 -6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.959 1.415 -5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.151 3.367 -6.653 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.638 2.602 -8.153 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.007 0.844 -7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.679 1.291 -6.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.052 2.081 -7.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.758 3.399 -7.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.076 2.966 -8.625 1.00 0.00 H new ATOM 481 N THR A 33 8.565 2.539 -6.567 1.00 0.00 N ATOM 482 CA THR A 33 9.847 3.204 -6.374 1.00 0.00 C ATOM 483 C THR A 33 10.619 3.301 -7.686 1.00 0.00 C ATOM 484 O THR A 33 11.494 4.152 -7.839 1.00 0.00 O ATOM 485 CB THR A 33 10.713 2.466 -5.336 1.00 0.00 C ATOM 486 OG1 THR A 33 11.890 3.228 -5.049 1.00 0.00 O ATOM 487 CG2 THR A 33 11.106 1.086 -5.842 1.00 0.00 C ATOM 0 H THR A 33 8.347 1.833 -5.864 1.00 0.00 H new ATOM 0 HA THR A 33 9.630 4.207 -6.007 1.00 0.00 H new ATOM 0 HB THR A 33 10.127 2.348 -4.425 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.434 2.752 -4.387 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.717 0.584 -5.092 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.208 0.498 -6.031 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.675 1.186 -6.766 1.00 0.00 H new ATOM 495 N GLU A 34 10.288 2.424 -8.628 1.00 0.00 N ATOM 496 CA GLU A 34 10.951 2.411 -9.926 1.00 0.00 C ATOM 497 C GLU A 34 10.704 3.717 -10.676 1.00 0.00 C ATOM 498 O GLU A 34 11.629 4.314 -11.225 1.00 0.00 O ATOM 499 CB GLU A 34 10.460 1.229 -10.764 1.00 0.00 C ATOM 500 CG GLU A 34 11.507 0.684 -11.721 1.00 0.00 C ATOM 501 CD GLU A 34 12.343 -0.421 -11.105 1.00 0.00 C ATOM 502 OE1 GLU A 34 11.755 -1.426 -10.653 1.00 0.00 O ATOM 503 OE2 GLU A 34 13.583 -0.281 -11.074 1.00 0.00 O ATOM 0 H GLU A 34 9.565 1.713 -8.516 1.00 0.00 H new ATOM 0 HA GLU A 34 12.023 2.306 -9.756 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.139 0.429 -10.096 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.584 1.538 -11.335 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.013 0.305 -12.616 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.162 1.496 -12.038 1.00 0.00 H new ATOM 510 N GLU A 35 9.448 4.153 -10.694 1.00 0.00 N ATOM 511 CA GLU A 35 9.079 5.387 -11.377 1.00 0.00 C ATOM 512 C GLU A 35 9.473 6.607 -10.549 1.00 0.00 C ATOM 513 O GLU A 35 9.651 7.702 -11.083 1.00 0.00 O ATOM 514 CB GLU A 35 7.575 5.411 -11.657 1.00 0.00 C ATOM 515 CG GLU A 35 6.733 5.721 -10.431 1.00 0.00 C ATOM 516 CD GLU A 35 5.363 6.266 -10.786 1.00 0.00 C ATOM 517 OE1 GLU A 35 5.297 7.276 -11.518 1.00 0.00 O ATOM 518 OE2 GLU A 35 4.357 5.683 -10.332 1.00 0.00 O ATOM 0 H GLU A 35 8.670 3.670 -10.244 1.00 0.00 H new ATOM 0 HA GLU A 35 9.618 5.423 -12.324 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.369 6.155 -12.427 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.273 4.444 -12.060 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.616 4.815 -9.836 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.258 6.445 -9.808 1.00 0.00 H new ATOM 525 N PHE A 36 9.606 6.409 -9.242 1.00 0.00 N ATOM 526 CA PHE A 36 9.978 7.492 -8.339 1.00 0.00 C ATOM 527 C PHE A 36 11.403 7.963 -8.611 1.00 0.00 C ATOM 528 O PHE A 36 11.706 9.152 -8.515 1.00 0.00 O ATOM 529 CB PHE A 36 9.847 7.038 -6.883 1.00 0.00 C ATOM 530 CG PHE A 36 10.865 7.658 -5.969 1.00 0.00 C ATOM 531 CD1 PHE A 36 10.880 9.027 -5.754 1.00 0.00 C ATOM 532 CD2 PHE A 36 11.806 6.872 -5.324 1.00 0.00 C ATOM 533 CE1 PHE A 36 11.815 9.600 -4.913 1.00 0.00 C ATOM 534 CE2 PHE A 36 12.742 7.440 -4.481 1.00 0.00 C ATOM 535 CZ PHE A 36 12.748 8.806 -4.276 1.00 0.00 C ATOM 0 H PHE A 36 9.462 5.509 -8.784 1.00 0.00 H new ATOM 0 HA PHE A 36 9.300 8.327 -8.515 1.00 0.00 H new ATOM 0 HB2 PHE A 36 8.848 7.284 -6.522 1.00 0.00 H new ATOM 0 HB3 PHE A 36 9.943 5.953 -6.839 1.00 0.00 H new ATOM 0 HD1 PHE A 36 10.153 9.653 -6.249 1.00 0.00 H new ATOM 0 HD2 PHE A 36 11.808 5.804 -5.482 1.00 0.00 H new ATOM 0 HE1 PHE A 36 11.816 10.668 -4.754 1.00 0.00 H new ATOM 0 HE2 PHE A 36 13.469 6.816 -3.982 1.00 0.00 H new ATOM 0 HZ PHE A 36 13.480 9.252 -3.619 1.00 0.00 H new ATOM 545 N LYS A 37 12.277 7.020 -8.950 1.00 0.00 N ATOM 546 CA LYS A 37 13.671 7.335 -9.237 1.00 0.00 C ATOM 547 C LYS A 37 13.868 7.629 -10.721 1.00 0.00 C ATOM 548 O LYS A 37 14.538 8.594 -11.087 1.00 0.00 O ATOM 549 CB LYS A 37 14.575 6.177 -8.810 1.00 0.00 C ATOM 550 CG LYS A 37 14.684 6.013 -7.304 1.00 0.00 C ATOM 551 CD LYS A 37 15.077 4.595 -6.925 1.00 0.00 C ATOM 552 CE LYS A 37 16.484 4.261 -7.395 1.00 0.00 C ATOM 553 NZ LYS A 37 17.520 4.799 -6.470 1.00 0.00 N ATOM 0 H LYS A 37 12.043 6.031 -9.033 1.00 0.00 H new ATOM 0 HA LYS A 37 13.941 8.226 -8.670 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.193 5.251 -9.241 1.00 0.00 H new ATOM 0 HB3 LYS A 37 15.571 6.334 -9.223 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.423 6.713 -6.913 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.730 6.264 -6.840 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.016 4.477 -5.843 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.369 3.891 -7.363 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.594 3.179 -7.473 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.640 4.670 -8.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.465 4.550 -6.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.432 5.834 -6.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.387 4.389 -5.524 1.00 0.00 H new ATOM 567 N GLN A 38 13.279 6.791 -11.568 1.00 0.00 N ATOM 568 CA GLN A 38 13.391 6.962 -13.012 1.00 0.00 C ATOM 569 C GLN A 38 12.689 8.238 -13.464 1.00 0.00 C ATOM 570 O GLN A 38 13.298 9.104 -14.090 1.00 0.00 O ATOM 571 CB GLN A 38 12.796 5.754 -13.737 1.00 0.00 C ATOM 572 CG GLN A 38 13.762 4.588 -13.871 1.00 0.00 C ATOM 573 CD GLN A 38 13.362 3.622 -14.969 1.00 0.00 C ATOM 574 OE1 GLN A 38 12.742 4.011 -15.959 1.00 0.00 O ATOM 575 NE2 GLN A 38 13.717 2.353 -14.799 1.00 0.00 N ATOM 0 H GLN A 38 12.720 5.988 -11.280 1.00 0.00 H new ATOM 0 HA GLN A 38 14.449 7.042 -13.263 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.908 5.420 -13.200 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.471 6.061 -14.731 1.00 0.00 H new ATOM 0 HG2 GLN A 38 14.762 4.971 -14.076 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.814 4.053 -12.923 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.230 2.075 -13.963 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.476 1.657 -15.505 1.00 0.00 H new ATOM 584 N ASN A 39 11.404 8.346 -13.144 1.00 0.00 N ATOM 585 CA ASN A 39 10.618 9.517 -13.518 1.00 0.00 C ATOM 586 C ASN A 39 10.753 10.620 -12.473 1.00 0.00 C ATOM 587 O ASN A 39 11.323 11.677 -12.741 1.00 0.00 O ATOM 588 CB ASN A 39 9.146 9.136 -13.687 1.00 0.00 C ATOM 589 CG ASN A 39 8.316 10.273 -14.252 1.00 0.00 C ATOM 590 OD1 ASN A 39 8.633 10.823 -15.307 1.00 0.00 O ATOM 591 ND2 ASN A 39 7.247 10.630 -13.550 1.00 0.00 N ATOM 0 H ASN A 39 10.884 7.637 -12.627 1.00 0.00 H new ATOM 0 HA ASN A 39 11.001 9.892 -14.467 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.071 8.272 -14.347 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.738 8.836 -12.722 1.00 0.00 H new ATOM 0 HD21 ASN A 39 6.650 11.388 -13.880 1.00 0.00 H new ATOM 0 HD22 ASN A 39 7.023 10.146 -12.681 1.00 0.00 H new ATOM 598 N GLY A 40 10.224 10.365 -11.280 1.00 0.00 N ATOM 599 CA GLY A 40 10.296 11.345 -10.212 1.00 0.00 C ATOM 600 C GLY A 40 8.988 11.478 -9.458 1.00 0.00 C ATOM 601 O GLY A 40 7.999 11.970 -10.000 1.00 0.00 O ATOM 0 H GLY A 40 9.747 9.498 -11.034 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.086 11.062 -9.516 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.571 12.313 -10.630 1.00 0.00 H new ATOM 605 N GLY A 41 8.982 11.037 -8.204 1.00 0.00 N ATOM 606 CA GLY A 41 7.779 11.117 -7.395 1.00 0.00 C ATOM 607 C GLY A 41 8.081 11.346 -5.928 1.00 0.00 C ATOM 608 O GLY A 41 9.162 11.820 -5.575 1.00 0.00 O ATOM 0 H GLY A 41 9.788 10.626 -7.734 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.150 11.927 -7.764 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.209 10.195 -7.506 1.00 0.00 H new ATOM 612 N LYS A 42 7.125 11.011 -5.069 1.00 0.00 N ATOM 613 CA LYS A 42 7.292 11.183 -3.631 1.00 0.00 C ATOM 614 C LYS A 42 8.200 10.101 -3.055 1.00 0.00 C ATOM 615 O LYS A 42 8.194 8.952 -3.498 1.00 0.00 O ATOM 616 CB LYS A 42 5.932 11.148 -2.930 1.00 0.00 C ATOM 617 CG LYS A 42 5.076 12.373 -3.203 1.00 0.00 C ATOM 618 CD LYS A 42 4.178 12.168 -4.412 1.00 0.00 C ATOM 619 CE LYS A 42 3.029 11.222 -4.099 1.00 0.00 C ATOM 620 NZ LYS A 42 1.978 11.880 -3.274 1.00 0.00 N ATOM 0 H LYS A 42 6.225 10.618 -5.344 1.00 0.00 H new ATOM 0 HA LYS A 42 7.758 12.153 -3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.390 10.258 -3.250 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.089 11.057 -1.855 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.465 12.593 -2.328 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.719 13.238 -3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.781 13.129 -4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.765 11.768 -5.239 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.589 10.864 -5.030 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.411 10.348 -3.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.154 11.251 -3.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.355 12.077 -2.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.691 12.772 -3.725 1.00 0.00 H new ATOM 634 N PRO A 43 8.998 10.473 -2.044 1.00 0.00 N ATOM 635 CA PRO A 43 9.924 9.547 -1.385 1.00 0.00 C ATOM 636 C PRO A 43 9.199 8.494 -0.554 1.00 0.00 C ATOM 637 O PRO A 43 9.827 7.625 0.050 1.00 0.00 O ATOM 638 CB PRO A 43 10.756 10.461 -0.481 1.00 0.00 C ATOM 639 CG PRO A 43 9.877 11.636 -0.219 1.00 0.00 C ATOM 640 CD PRO A 43 9.057 11.826 -1.465 1.00 0.00 C ATOM 0 HA PRO A 43 10.516 8.982 -2.105 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.031 9.958 0.446 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.684 10.761 -0.968 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.237 11.460 0.646 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.469 12.525 -0.002 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.062 12.209 -1.237 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.523 12.536 -2.149 1.00 0.00 H new ATOM 648 N TYR A 44 7.873 8.577 -0.530 1.00 0.00 N ATOM 649 CA TYR A 44 7.062 7.632 0.228 1.00 0.00 C ATOM 650 C TYR A 44 6.010 6.979 -0.663 1.00 0.00 C ATOM 651 O TYR A 44 5.891 7.306 -1.845 1.00 0.00 O ATOM 652 CB TYR A 44 6.385 8.337 1.404 1.00 0.00 C ATOM 653 CG TYR A 44 5.609 9.572 1.004 1.00 0.00 C ATOM 654 CD1 TYR A 44 4.354 9.468 0.418 1.00 0.00 C ATOM 655 CD2 TYR A 44 6.133 10.842 1.211 1.00 0.00 C ATOM 656 CE1 TYR A 44 3.642 10.594 0.050 1.00 0.00 C ATOM 657 CE2 TYR A 44 5.427 11.973 0.848 1.00 0.00 C ATOM 658 CZ TYR A 44 4.183 11.844 0.268 1.00 0.00 C ATOM 659 OH TYR A 44 3.478 12.968 -0.097 1.00 0.00 O ATOM 0 H TYR A 44 7.337 9.289 -1.027 1.00 0.00 H new ATOM 0 HA TYR A 44 7.721 6.853 0.611 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.710 7.637 1.896 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.144 8.616 2.135 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.927 8.491 0.247 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.108 10.947 1.663 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.668 10.496 -0.406 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.848 12.953 1.018 1.00 0.00 H new ATOM 0 HH TYR A 44 3.999 13.768 0.126 1.00 0.00 H new ATOM 669 N LEU A 45 5.248 6.055 -0.088 1.00 0.00 N ATOM 670 CA LEU A 45 4.204 5.356 -0.829 1.00 0.00 C ATOM 671 C LEU A 45 2.972 5.137 0.043 1.00 0.00 C ATOM 672 O LEU A 45 3.054 4.529 1.110 1.00 0.00 O ATOM 673 CB LEU A 45 4.726 4.012 -1.340 1.00 0.00 C ATOM 674 CG LEU A 45 3.911 3.355 -2.454 1.00 0.00 C ATOM 675 CD1 LEU A 45 4.320 3.906 -3.811 1.00 0.00 C ATOM 676 CD2 LEU A 45 4.080 1.843 -2.418 1.00 0.00 C ATOM 0 H LEU A 45 5.333 5.773 0.888 1.00 0.00 H new ATOM 0 HA LEU A 45 3.920 5.975 -1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.746 4.154 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.777 3.321 -0.499 1.00 0.00 H new ATOM 0 HG LEU A 45 2.858 3.587 -2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.729 3.427 -4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.147 4.982 -3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.378 3.705 -3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.493 1.392 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.132 1.591 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.737 1.461 -1.456 1.00 0.00 H new ATOM 688 N SER A 46 1.829 5.635 -0.420 1.00 0.00 N ATOM 689 CA SER A 46 0.580 5.495 0.318 1.00 0.00 C ATOM 690 C SER A 46 -0.082 4.153 0.017 1.00 0.00 C ATOM 691 O SER A 46 -0.133 3.718 -1.133 1.00 0.00 O ATOM 692 CB SER A 46 -0.375 6.638 -0.032 1.00 0.00 C ATOM 693 OG SER A 46 0.149 7.886 0.386 1.00 0.00 O ATOM 0 H SER A 46 1.743 6.139 -1.303 1.00 0.00 H new ATOM 0 HA SER A 46 0.809 5.536 1.383 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.548 6.655 -1.108 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.341 6.468 0.444 1.00 0.00 H new ATOM 0 HG SER A 46 -0.479 8.600 0.149 1.00 0.00 H new ATOM 699 N VAL A 47 -0.588 3.503 1.060 1.00 0.00 N ATOM 700 CA VAL A 47 -1.248 2.212 0.908 1.00 0.00 C ATOM 701 C VAL A 47 -2.514 2.138 1.755 1.00 0.00 C ATOM 702 O VAL A 47 -2.457 2.225 2.982 1.00 0.00 O ATOM 703 CB VAL A 47 -0.313 1.053 1.302 1.00 0.00 C ATOM 704 CG1 VAL A 47 -1.028 -0.282 1.164 1.00 0.00 C ATOM 705 CG2 VAL A 47 0.952 1.079 0.456 1.00 0.00 C ATOM 0 H VAL A 47 -0.554 3.849 2.019 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.512 2.115 -0.145 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.028 1.178 2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.351 -1.088 1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.901 -0.296 1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.345 -0.420 0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.602 0.254 0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.688 0.979 -0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.474 2.023 0.611 1.00 0.00 H new ATOM 715 N ILE A 48 -3.654 1.978 1.093 1.00 0.00 N ATOM 716 CA ILE A 48 -4.934 1.891 1.785 1.00 0.00 C ATOM 717 C ILE A 48 -5.318 0.440 2.052 1.00 0.00 C ATOM 718 O ILE A 48 -5.710 -0.289 1.140 1.00 0.00 O ATOM 719 CB ILE A 48 -6.058 2.568 0.978 1.00 0.00 C ATOM 720 CG1 ILE A 48 -5.755 4.056 0.790 1.00 0.00 C ATOM 721 CG2 ILE A 48 -7.397 2.378 1.674 1.00 0.00 C ATOM 722 CD1 ILE A 48 -4.940 4.354 -0.449 1.00 0.00 C ATOM 0 H ILE A 48 -3.718 1.906 0.078 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.815 2.413 2.734 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.112 2.101 -0.005 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.694 4.606 0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.219 4.423 1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.181 2.862 1.092 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.614 1.313 1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.356 2.823 2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.763 5.427 -0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.985 3.832 -0.391 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.484 4.018 -1.332 1.00 0.00 H new ATOM 734 N THR A 49 -5.203 0.024 3.310 1.00 0.00 N ATOM 735 CA THR A 49 -5.539 -1.340 3.697 1.00 0.00 C ATOM 736 C THR A 49 -7.042 -1.580 3.618 1.00 0.00 C ATOM 737 O THR A 49 -7.489 -2.646 3.195 1.00 0.00 O ATOM 738 CB THR A 49 -5.054 -1.653 5.126 1.00 0.00 C ATOM 739 OG1 THR A 49 -5.911 -1.021 6.083 1.00 0.00 O ATOM 740 CG2 THR A 49 -3.623 -1.180 5.328 1.00 0.00 C ATOM 0 H THR A 49 -4.880 0.613 4.078 1.00 0.00 H new ATOM 0 HA THR A 49 -5.032 -2.002 2.995 1.00 0.00 H new ATOM 0 HB THR A 49 -5.085 -2.733 5.268 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.597 -1.226 6.989 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.303 -1.412 6.344 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.969 -1.685 4.617 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.570 -0.103 5.168 1.00 0.00 H new ATOM 885 N ARG A 61 -7.717 -8.197 8.028 1.00 0.00 N ATOM 886 CA ARG A 61 -6.441 -8.891 8.152 1.00 0.00 C ATOM 887 C ARG A 61 -5.434 -8.364 7.134 1.00 0.00 C ATOM 888 O ARG A 61 -4.392 -8.978 6.902 1.00 0.00 O ATOM 889 CB ARG A 61 -6.635 -10.397 7.961 1.00 0.00 C ATOM 890 CG ARG A 61 -7.398 -11.061 9.095 1.00 0.00 C ATOM 891 CD ARG A 61 -8.892 -11.099 8.815 1.00 0.00 C ATOM 892 NE ARG A 61 -9.582 -9.936 9.367 1.00 0.00 N ATOM 893 CZ ARG A 61 -10.896 -9.881 9.553 1.00 0.00 C ATOM 894 NH1 ARG A 61 -11.658 -10.918 9.233 1.00 0.00 N ATOM 895 NH2 ARG A 61 -11.450 -8.787 10.060 1.00 0.00 N ATOM 0 HA ARG A 61 -6.051 -8.705 9.153 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.167 -10.571 7.026 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.658 -10.871 7.865 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.028 -12.076 9.238 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.215 -10.521 10.024 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.058 -11.142 7.739 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.317 -12.008 9.240 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.024 -9.121 9.624 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.235 -11.760 8.843 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.667 -10.873 9.377 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.867 -7.988 10.307 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.459 -8.745 10.203 1.00 0.00 H new ATOM 909 N ILE A 62 -5.752 -7.224 6.531 1.00 0.00 N ATOM 910 CA ILE A 62 -4.875 -6.614 5.539 1.00 0.00 C ATOM 911 C ILE A 62 -3.717 -5.881 6.206 1.00 0.00 C ATOM 912 O ILE A 62 -2.562 -6.296 6.104 1.00 0.00 O ATOM 913 CB ILE A 62 -5.643 -5.627 4.639 1.00 0.00 C ATOM 914 CG1 ILE A 62 -6.663 -6.376 3.779 1.00 0.00 C ATOM 915 CG2 ILE A 62 -4.674 -4.846 3.764 1.00 0.00 C ATOM 916 CD1 ILE A 62 -7.423 -5.480 2.826 1.00 0.00 C ATOM 0 H ILE A 62 -6.611 -6.704 6.712 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.483 -7.424 4.924 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.180 -4.921 5.272 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.147 -7.147 3.207 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.373 -6.884 4.431 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.231 -4.153 3.134 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.983 -4.287 4.395 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.113 -5.538 3.135 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.128 -6.078 2.249 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.967 -4.724 3.393 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.722 -4.991 2.149 1.00 0.00 H new ATOM 928 N LYS A 63 -4.032 -4.787 6.892 1.00 0.00 N ATOM 929 CA LYS A 63 -3.019 -3.996 7.580 1.00 0.00 C ATOM 930 C LYS A 63 -2.153 -4.879 8.473 1.00 0.00 C ATOM 931 O LYS A 63 -0.924 -4.846 8.414 1.00 0.00 O ATOM 932 CB LYS A 63 -3.681 -2.899 8.418 1.00 0.00 C ATOM 933 CG LYS A 63 -2.974 -2.629 9.735 1.00 0.00 C ATOM 934 CD LYS A 63 -3.746 -1.638 10.589 1.00 0.00 C ATOM 935 CE LYS A 63 -2.867 -1.035 11.674 1.00 0.00 C ATOM 936 NZ LYS A 63 -3.653 -0.672 12.886 1.00 0.00 N ATOM 0 H LYS A 63 -4.982 -4.428 6.986 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.381 -3.534 6.826 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.712 -1.978 7.836 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.714 -3.182 8.621 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.852 -3.564 10.282 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.974 -2.241 9.540 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.143 -0.843 9.957 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.600 -2.138 11.047 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.087 -1.746 11.946 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.368 -0.147 11.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.018 -0.264 13.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.381 0.026 12.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.109 -1.523 13.272 1.00 0.00 H new ATOM 950 N PRO A 64 -2.806 -5.689 9.319 1.00 0.00 N ATOM 951 CA PRO A 64 -2.115 -6.597 10.239 1.00 0.00 C ATOM 952 C PRO A 64 -1.025 -7.405 9.544 1.00 0.00 C ATOM 953 O PRO A 64 0.142 -7.353 9.931 1.00 0.00 O ATOM 954 CB PRO A 64 -3.232 -7.519 10.733 1.00 0.00 C ATOM 955 CG PRO A 64 -4.477 -6.713 10.597 1.00 0.00 C ATOM 956 CD PRO A 64 -4.271 -5.780 9.444 1.00 0.00 C ATOM 0 HA PRO A 64 -1.605 -6.059 11.037 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.284 -8.431 10.139 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -3.067 -7.821 11.767 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.337 -7.359 10.421 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.678 -6.156 11.512 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.727 -6.165 8.532 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.717 -4.804 9.635 1.00 0.00 H new ATOM 964 N ALA A 65 -1.413 -8.153 8.516 1.00 0.00 N ATOM 965 CA ALA A 65 -0.467 -8.970 7.766 1.00 0.00 C ATOM 966 C ALA A 65 0.671 -8.122 7.209 1.00 0.00 C ATOM 967 O ALA A 65 1.845 -8.457 7.370 1.00 0.00 O ATOM 968 CB ALA A 65 -1.181 -9.704 6.640 1.00 0.00 C ATOM 0 H ALA A 65 -2.376 -8.210 8.184 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.037 -9.703 8.449 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.463 -10.310 6.088 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.954 -10.348 7.058 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.638 -8.980 5.966 1.00 0.00 H new ATOM 974 N VAL A 66 0.317 -7.022 6.553 1.00 0.00 N ATOM 975 CA VAL A 66 1.309 -6.125 5.973 1.00 0.00 C ATOM 976 C VAL A 66 2.385 -5.763 6.991 1.00 0.00 C ATOM 977 O VAL A 66 3.579 -5.837 6.700 1.00 0.00 O ATOM 978 CB VAL A 66 0.658 -4.831 5.448 1.00 0.00 C ATOM 979 CG1 VAL A 66 1.714 -3.891 4.887 1.00 0.00 C ATOM 980 CG2 VAL A 66 -0.394 -5.153 4.397 1.00 0.00 C ATOM 0 H VAL A 66 -0.650 -6.730 6.410 1.00 0.00 H new ATOM 0 HA VAL A 66 1.766 -6.657 5.139 1.00 0.00 H new ATOM 0 HB VAL A 66 0.165 -4.329 6.281 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.235 -2.983 4.521 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.427 -3.635 5.671 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.238 -4.381 4.066 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.844 -4.228 4.037 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.073 -5.678 3.564 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.166 -5.785 4.837 1.00 0.00 H new ATOM 990 N ILE A 67 1.954 -5.371 8.185 1.00 0.00 N ATOM 991 CA ILE A 67 2.880 -4.999 9.247 1.00 0.00 C ATOM 992 C ILE A 67 3.931 -6.083 9.464 1.00 0.00 C ATOM 993 O ILE A 67 5.129 -5.802 9.508 1.00 0.00 O ATOM 994 CB ILE A 67 2.142 -4.742 10.574 1.00 0.00 C ATOM 995 CG1 ILE A 67 1.182 -3.559 10.428 1.00 0.00 C ATOM 996 CG2 ILE A 67 3.139 -4.488 11.694 1.00 0.00 C ATOM 997 CD1 ILE A 67 0.226 -3.410 11.591 1.00 0.00 C ATOM 0 H ILE A 67 0.969 -5.303 8.441 1.00 0.00 H new ATOM 0 HA ILE A 67 3.370 -4.079 8.930 1.00 0.00 H new ATOM 0 HB ILE A 67 1.560 -5.628 10.827 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.762 -2.642 10.325 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.608 -3.679 9.509 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.602 -4.308 12.625 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.785 -5.358 11.810 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.745 -3.616 11.450 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.424 -2.552 11.420 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.380 -4.312 11.682 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.792 -3.259 12.510 1.00 0.00 H new ATOM 1009 N LYS A 68 3.475 -7.323 9.598 1.00 0.00 N ATOM 1010 CA LYS A 68 4.374 -8.451 9.808 1.00 0.00 C ATOM 1011 C LYS A 68 5.403 -8.543 8.686 1.00 0.00 C ATOM 1012 O LYS A 68 6.587 -8.772 8.934 1.00 0.00 O ATOM 1013 CB LYS A 68 3.578 -9.756 9.892 1.00 0.00 C ATOM 1014 CG LYS A 68 4.290 -10.854 10.663 1.00 0.00 C ATOM 1015 CD LYS A 68 3.312 -11.894 11.184 1.00 0.00 C ATOM 1016 CE LYS A 68 4.036 -13.083 11.796 1.00 0.00 C ATOM 1017 NZ LYS A 68 3.135 -14.259 11.955 1.00 0.00 N ATOM 0 H LYS A 68 2.487 -7.573 9.565 1.00 0.00 H new ATOM 0 HA LYS A 68 4.901 -8.293 10.749 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.617 -9.556 10.365 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.368 -10.110 8.882 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.025 -11.335 10.018 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.837 -10.417 11.498 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.660 -11.440 11.930 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.674 -12.235 10.369 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.882 -13.356 11.166 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.440 -12.801 12.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.666 -15.049 12.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.341 -14.006 12.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.769 -14.544 11.024 1.00 0.00 H new ATOM 1031 N TYR A 69 4.944 -8.360 7.453 1.00 0.00 N ATOM 1032 CA TYR A 69 5.825 -8.422 6.293 1.00 0.00 C ATOM 1033 C TYR A 69 6.812 -7.258 6.294 1.00 0.00 C ATOM 1034 O TYR A 69 7.979 -7.418 5.936 1.00 0.00 O ATOM 1035 CB TYR A 69 5.005 -8.409 5.002 1.00 0.00 C ATOM 1036 CG TYR A 69 5.845 -8.519 3.749 1.00 0.00 C ATOM 1037 CD1 TYR A 69 6.368 -7.386 3.138 1.00 0.00 C ATOM 1038 CD2 TYR A 69 6.116 -9.756 3.178 1.00 0.00 C ATOM 1039 CE1 TYR A 69 7.135 -7.482 1.993 1.00 0.00 C ATOM 1040 CE2 TYR A 69 6.884 -9.861 2.034 1.00 0.00 C ATOM 1041 CZ TYR A 69 7.390 -8.721 1.445 1.00 0.00 C ATOM 1042 OH TYR A 69 8.155 -8.821 0.306 1.00 0.00 O ATOM 0 H TYR A 69 3.967 -8.168 7.231 1.00 0.00 H new ATOM 0 HA TYR A 69 6.390 -9.353 6.348 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.293 -9.234 5.025 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.424 -7.488 4.960 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.172 -6.414 3.565 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.720 -10.650 3.636 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.533 -6.591 1.530 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.087 -10.830 1.603 1.00 0.00 H new ATOM 0 HH TYR A 69 7.709 -9.411 -0.337 1.00 0.00 H new ATOM 1052 N LEU A 70 6.333 -6.087 6.699 1.00 0.00 N ATOM 1053 CA LEU A 70 7.171 -4.894 6.748 1.00 0.00 C ATOM 1054 C LEU A 70 8.297 -5.061 7.764 1.00 0.00 C ATOM 1055 O LEU A 70 9.474 -4.920 7.430 1.00 0.00 O ATOM 1056 CB LEU A 70 6.327 -3.668 7.101 1.00 0.00 C ATOM 1057 CG LEU A 70 5.251 -3.279 6.087 1.00 0.00 C ATOM 1058 CD1 LEU A 70 4.260 -2.306 6.707 1.00 0.00 C ATOM 1059 CD2 LEU A 70 5.885 -2.677 4.842 1.00 0.00 C ATOM 0 H LEU A 70 5.369 -5.938 6.998 1.00 0.00 H new ATOM 0 HA LEU A 70 7.614 -4.750 5.763 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.844 -3.848 8.062 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.996 -2.818 7.235 1.00 0.00 H new ATOM 0 HG LEU A 70 4.710 -4.180 5.796 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.502 -2.040 5.971 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.782 -2.773 7.568 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.785 -1.406 7.027 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.105 -2.406 4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.451 -1.787 5.116 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.554 -3.406 4.386 1.00 0.00 H new ATOM 1071 N ILE A 71 7.927 -5.364 9.004 1.00 0.00 N ATOM 1072 CA ILE A 71 8.906 -5.554 10.067 1.00 0.00 C ATOM 1073 C ILE A 71 10.029 -6.483 9.621 1.00 0.00 C ATOM 1074 O ILE A 71 11.205 -6.215 9.866 1.00 0.00 O ATOM 1075 CB ILE A 71 8.253 -6.130 11.338 1.00 0.00 C ATOM 1076 CG1 ILE A 71 7.202 -5.159 11.882 1.00 0.00 C ATOM 1077 CG2 ILE A 71 9.310 -6.419 12.392 1.00 0.00 C ATOM 1078 CD1 ILE A 71 6.311 -5.766 12.942 1.00 0.00 C ATOM 0 H ILE A 71 6.957 -5.483 9.297 1.00 0.00 H new ATOM 0 HA ILE A 71 9.319 -4.571 10.294 1.00 0.00 H new ATOM 0 HB ILE A 71 7.758 -7.067 11.082 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.706 -4.287 12.298 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.583 -4.806 11.057 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.833 -6.825 13.284 1.00 0.00 H new ATOM 0 HG22 ILE A 71 10.025 -7.143 12.001 1.00 0.00 H new ATOM 0 HG23 ILE A 71 9.831 -5.496 12.648 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.591 -5.022 13.282 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.779 -6.621 12.525 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.920 -6.093 13.785 1.00 0.00 H new ATOM 1090 N SER A 72 9.659 -7.577 8.963 1.00 0.00 N ATOM 1091 CA SER A 72 10.635 -8.549 8.484 1.00 0.00 C ATOM 1092 C SER A 72 11.802 -7.850 7.792 1.00 0.00 C ATOM 1093 O SER A 72 12.958 -8.011 8.185 1.00 0.00 O ATOM 1094 CB SER A 72 9.974 -9.536 7.521 1.00 0.00 C ATOM 1095 OG SER A 72 9.152 -10.456 8.218 1.00 0.00 O ATOM 0 H SER A 72 8.690 -7.813 8.749 1.00 0.00 H new ATOM 0 HA SER A 72 11.019 -9.096 9.345 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.377 -8.991 6.790 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.741 -10.077 6.966 1.00 0.00 H new ATOM 0 HG SER A 72 8.320 -10.013 8.486 1.00 0.00 H new ATOM 1101 N HIS A 73 11.490 -7.073 6.760 1.00 0.00 N ATOM 1102 CA HIS A 73 12.512 -6.348 6.012 1.00 0.00 C ATOM 1103 C HIS A 73 12.876 -5.044 6.715 1.00 0.00 C ATOM 1104 O HIS A 73 13.661 -4.248 6.199 1.00 0.00 O ATOM 1105 CB HIS A 73 12.025 -6.057 4.592 1.00 0.00 C ATOM 1106 CG HIS A 73 11.477 -7.261 3.889 1.00 0.00 C ATOM 1107 ND1 HIS A 73 10.208 -7.752 4.115 1.00 0.00 N ATOM 1108 CD2 HIS A 73 12.032 -8.072 2.959 1.00 0.00 C ATOM 1109 CE1 HIS A 73 10.008 -8.814 3.355 1.00 0.00 C ATOM 1110 NE2 HIS A 73 11.100 -9.029 2.643 1.00 0.00 N ATOM 0 H HIS A 73 10.538 -6.929 6.422 1.00 0.00 H new ATOM 0 HA HIS A 73 13.403 -6.974 5.961 1.00 0.00 H new ATOM 0 HB2 HIS A 73 11.254 -5.287 4.631 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.852 -5.651 4.009 1.00 0.00 H new ATOM 0 HD1 HIS A 73 9.530 -7.357 4.767 1.00 0.00 H new ATOM 0 HD2 HIS A 73 13.024 -7.983 2.542 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.105 -9.406 3.321 1.00 0.00 H new ATOM 1118 N SER A 74 12.300 -4.831 7.894 1.00 0.00 N ATOM 1119 CA SER A 74 12.561 -3.621 8.665 1.00 0.00 C ATOM 1120 C SER A 74 12.141 -2.379 7.885 1.00 0.00 C ATOM 1121 O SER A 74 12.865 -1.384 7.843 1.00 0.00 O ATOM 1122 CB SER A 74 14.045 -3.532 9.028 1.00 0.00 C ATOM 1123 OG SER A 74 14.350 -4.362 10.136 1.00 0.00 O ATOM 0 H SER A 74 11.650 -5.481 8.336 1.00 0.00 H new ATOM 0 HA SER A 74 11.973 -3.670 9.581 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.651 -3.827 8.171 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.304 -2.499 9.261 1.00 0.00 H new ATOM 0 HG SER A 74 15.304 -4.289 10.347 1.00 0.00 H new ATOM 1129 N PHE A 75 10.965 -2.445 7.269 1.00 0.00 N ATOM 1130 CA PHE A 75 10.447 -1.327 6.489 1.00 0.00 C ATOM 1131 C PHE A 75 9.864 -0.251 7.402 1.00 0.00 C ATOM 1132 O PHE A 75 8.984 -0.525 8.217 1.00 0.00 O ATOM 1133 CB PHE A 75 9.379 -1.813 5.508 1.00 0.00 C ATOM 1134 CG PHE A 75 9.932 -2.215 4.171 1.00 0.00 C ATOM 1135 CD1 PHE A 75 10.548 -1.283 3.352 1.00 0.00 C ATOM 1136 CD2 PHE A 75 9.836 -3.526 3.733 1.00 0.00 C ATOM 1137 CE1 PHE A 75 11.057 -1.650 2.121 1.00 0.00 C ATOM 1138 CE2 PHE A 75 10.344 -3.900 2.503 1.00 0.00 C ATOM 1139 CZ PHE A 75 10.956 -2.961 1.696 1.00 0.00 C ATOM 0 H PHE A 75 10.353 -3.261 7.295 1.00 0.00 H new ATOM 0 HA PHE A 75 11.275 -0.893 5.928 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.855 -2.662 5.946 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.642 -1.023 5.365 1.00 0.00 H new ATOM 0 HD1 PHE A 75 10.631 -0.257 3.680 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.359 -4.264 4.360 1.00 0.00 H new ATOM 0 HE1 PHE A 75 11.533 -0.913 1.492 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.262 -4.925 2.173 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.355 -3.251 0.735 1.00 0.00 H new ATOM 1149 N ARG A 76 10.363 0.972 7.258 1.00 0.00 N ATOM 1150 CA ARG A 76 9.893 2.089 8.069 1.00 0.00 C ATOM 1151 C ARG A 76 8.526 2.570 7.593 1.00 0.00 C ATOM 1152 O ARG A 76 8.282 2.692 6.392 1.00 0.00 O ATOM 1153 CB ARG A 76 10.897 3.242 8.017 1.00 0.00 C ATOM 1154 CG ARG A 76 10.496 4.438 8.866 1.00 0.00 C ATOM 1155 CD ARG A 76 10.725 4.173 10.346 1.00 0.00 C ATOM 1156 NE ARG A 76 12.145 4.166 10.687 1.00 0.00 N ATOM 1157 CZ ARG A 76 12.897 3.071 10.683 1.00 0.00 C ATOM 1158 NH1 ARG A 76 12.367 1.901 10.356 1.00 0.00 N ATOM 1159 NH2 ARG A 76 14.182 3.146 11.006 1.00 0.00 N ATOM 0 H ARG A 76 11.092 1.215 6.588 1.00 0.00 H new ATOM 0 HA ARG A 76 9.799 1.743 9.098 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.870 2.881 8.350 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.014 3.564 6.982 1.00 0.00 H new ATOM 0 HG2 ARG A 76 11.070 5.312 8.559 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.445 4.671 8.695 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.215 4.936 10.934 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.283 3.214 10.615 1.00 0.00 H new ATOM 0 HE ARG A 76 12.584 5.051 10.942 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.380 1.840 10.107 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.946 1.062 10.354 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.593 4.045 11.258 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.759 2.305 11.003 1.00 0.00 H new ATOM 1173 N PHE A 77 7.636 2.841 8.543 1.00 0.00 N ATOM 1174 CA PHE A 77 6.292 3.307 8.221 1.00 0.00 C ATOM 1175 C PHE A 77 5.652 3.993 9.424 1.00 0.00 C ATOM 1176 O PHE A 77 6.003 3.714 10.570 1.00 0.00 O ATOM 1177 CB PHE A 77 5.420 2.136 7.763 1.00 0.00 C ATOM 1178 CG PHE A 77 5.195 1.103 8.829 1.00 0.00 C ATOM 1179 CD1 PHE A 77 6.263 0.419 9.386 1.00 0.00 C ATOM 1180 CD2 PHE A 77 3.915 0.816 9.274 1.00 0.00 C ATOM 1181 CE1 PHE A 77 6.059 -0.532 10.368 1.00 0.00 C ATOM 1182 CE2 PHE A 77 3.705 -0.134 10.256 1.00 0.00 C ATOM 1183 CZ PHE A 77 4.778 -0.810 10.803 1.00 0.00 C ATOM 0 H PHE A 77 7.821 2.746 9.541 1.00 0.00 H new ATOM 0 HA PHE A 77 6.369 4.032 7.411 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.455 2.520 7.431 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.888 1.661 6.901 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.267 0.631 9.049 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.072 1.340 8.849 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.901 -1.057 10.795 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.702 -0.348 10.595 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.616 -1.554 11.569 1.00 0.00 H new ATOM 1193 N SER A 78 4.711 4.892 9.153 1.00 0.00 N ATOM 1194 CA SER A 78 4.024 5.622 10.212 1.00 0.00 C ATOM 1195 C SER A 78 2.537 5.761 9.900 1.00 0.00 C ATOM 1196 O SER A 78 2.160 6.225 8.824 1.00 0.00 O ATOM 1197 CB SER A 78 4.650 7.005 10.397 1.00 0.00 C ATOM 1198 OG SER A 78 5.955 6.906 10.940 1.00 0.00 O ATOM 0 H SER A 78 4.407 5.132 8.209 1.00 0.00 H new ATOM 0 HA SER A 78 4.132 5.056 11.138 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.690 7.521 9.438 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.023 7.606 11.056 1.00 0.00 H new ATOM 0 HG SER A 78 6.334 7.803 11.047 1.00 0.00 H new ATOM 1204 N GLU A 79 1.699 5.357 10.849 1.00 0.00 N ATOM 1205 CA GLU A 79 0.253 5.436 10.674 1.00 0.00 C ATOM 1206 C GLU A 79 -0.228 6.881 10.768 1.00 0.00 C ATOM 1207 O GLU A 79 -0.312 7.448 11.857 1.00 0.00 O ATOM 1208 CB GLU A 79 -0.457 4.581 11.726 1.00 0.00 C ATOM 1209 CG GLU A 79 -1.841 4.119 11.301 1.00 0.00 C ATOM 1210 CD GLU A 79 -2.684 3.651 12.471 1.00 0.00 C ATOM 1211 OE1 GLU A 79 -2.286 2.671 13.135 1.00 0.00 O ATOM 1212 OE2 GLU A 79 -3.743 4.264 12.722 1.00 0.00 O ATOM 0 H GLU A 79 1.996 4.972 11.746 1.00 0.00 H new ATOM 0 HA GLU A 79 0.011 5.055 9.682 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.157 3.708 11.947 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.542 5.153 12.650 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.353 4.936 10.793 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.744 3.307 10.580 1.00 0.00 H new ATOM 1219 N ILE A 80 -0.542 7.469 9.619 1.00 0.00 N ATOM 1220 CA ILE A 80 -1.015 8.847 9.571 1.00 0.00 C ATOM 1221 C ILE A 80 -2.539 8.906 9.559 1.00 0.00 C ATOM 1222 O ILE A 80 -3.140 9.837 10.094 1.00 0.00 O ATOM 1223 CB ILE A 80 -0.474 9.586 8.332 1.00 0.00 C ATOM 1224 CG1 ILE A 80 -0.722 8.758 7.070 1.00 0.00 C ATOM 1225 CG2 ILE A 80 1.009 9.879 8.497 1.00 0.00 C ATOM 1226 CD1 ILE A 80 -0.536 9.540 5.788 1.00 0.00 C ATOM 0 H ILE A 80 -0.478 7.013 8.709 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.642 9.339 10.469 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.003 10.534 8.232 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.045 7.904 7.067 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.736 8.360 7.100 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.377 10.401 7.614 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.161 10.503 9.377 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.554 8.943 8.618 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.728 8.890 4.934 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.232 10.379 5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.486 9.915 5.736 1.00 0.00 H new ATOM 1238 N LYS A 81 -3.158 7.903 8.945 1.00 0.00 N ATOM 1239 CA LYS A 81 -4.613 7.837 8.865 1.00 0.00 C ATOM 1240 C LYS A 81 -5.126 6.499 9.389 1.00 0.00 C ATOM 1241 O LYS A 81 -4.436 5.481 9.343 1.00 0.00 O ATOM 1242 CB LYS A 81 -5.074 8.042 7.420 1.00 0.00 C ATOM 1243 CG LYS A 81 -4.383 9.198 6.719 1.00 0.00 C ATOM 1244 CD LYS A 81 -5.283 9.834 5.673 1.00 0.00 C ATOM 1245 CE LYS A 81 -6.401 10.642 6.316 1.00 0.00 C ATOM 1246 NZ LYS A 81 -5.985 12.046 6.588 1.00 0.00 N ATOM 0 H LYS A 81 -2.675 7.125 8.496 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.023 8.632 9.487 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.894 7.126 6.857 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.150 8.214 7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.091 9.948 7.454 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.468 8.843 6.245 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.690 10.481 5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.712 9.057 5.040 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.272 10.642 5.661 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.703 10.166 7.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.774 12.563 7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.169 12.048 7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.721 12.509 5.695 1.00 0.00 H new ATOM 1260 N PRO A 82 -6.367 6.499 9.897 1.00 0.00 N ATOM 1261 CA PRO A 82 -7.001 5.292 10.438 1.00 0.00 C ATOM 1262 C PRO A 82 -7.341 4.280 9.350 1.00 0.00 C ATOM 1263 O PRO A 82 -7.932 3.236 9.623 1.00 0.00 O ATOM 1264 CB PRO A 82 -8.279 5.825 11.091 1.00 0.00 C ATOM 1265 CG PRO A 82 -8.580 7.088 10.360 1.00 0.00 C ATOM 1266 CD PRO A 82 -7.248 7.676 9.984 1.00 0.00 C ATOM 0 HA PRO A 82 -6.345 4.760 11.126 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -9.097 5.111 11.001 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.133 6.009 12.155 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -9.184 6.892 9.474 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -9.147 7.776 10.987 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.298 8.211 9.036 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.897 8.386 10.732 1.00 0.00 H new ATOM 1274 N GLY A 83 -6.963 4.595 8.115 1.00 0.00 N ATOM 1275 CA GLY A 83 -7.236 3.702 7.004 1.00 0.00 C ATOM 1276 C GLY A 83 -6.171 3.771 5.928 1.00 0.00 C ATOM 1277 O GLY A 83 -6.426 3.437 4.770 1.00 0.00 O ATOM 0 H GLY A 83 -6.472 5.453 7.864 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.309 2.679 7.374 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.204 3.953 6.570 1.00 0.00 H new ATOM 1281 N CYS A 84 -4.976 4.208 6.309 1.00 0.00 N ATOM 1282 CA CYS A 84 -3.868 4.323 5.366 1.00 0.00 C ATOM 1283 C CYS A 84 -2.539 4.021 6.051 1.00 0.00 C ATOM 1284 O CYS A 84 -2.417 4.133 7.271 1.00 0.00 O ATOM 1285 CB CYS A 84 -3.835 5.724 4.755 1.00 0.00 C ATOM 1286 SG CYS A 84 -3.156 5.783 3.081 1.00 0.00 S ATOM 0 H CYS A 84 -4.749 4.488 7.263 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.021 3.592 4.572 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.848 6.126 4.739 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -3.244 6.376 5.399 1.00 0.00 H new ATOM 0 HG CYS A 84 -3.172 7.009 2.649 1.00 0.00 H new ATOM 1292 N LEU A 85 -1.545 3.636 5.257 1.00 0.00 N ATOM 1293 CA LEU A 85 -0.224 3.317 5.786 1.00 0.00 C ATOM 1294 C LEU A 85 0.872 3.947 4.932 1.00 0.00 C ATOM 1295 O LEU A 85 0.954 3.702 3.728 1.00 0.00 O ATOM 1296 CB LEU A 85 -0.030 1.800 5.847 1.00 0.00 C ATOM 1297 CG LEU A 85 -0.597 1.101 7.083 1.00 0.00 C ATOM 1298 CD1 LEU A 85 -0.552 -0.410 6.908 1.00 0.00 C ATOM 1299 CD2 LEU A 85 0.169 1.518 8.330 1.00 0.00 C ATOM 0 H LEU A 85 -1.629 3.537 4.245 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.155 3.727 6.793 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.489 1.359 4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.038 1.588 5.792 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.638 1.402 7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.959 -0.892 7.797 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.145 -0.693 6.038 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.480 -0.729 6.763 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.248 1.011 9.200 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.219 1.246 8.220 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.086 2.596 8.464 1.00 0.00 H new ATOM 1311 N LYS A 86 1.713 4.758 5.563 1.00 0.00 N ATOM 1312 CA LYS A 86 2.807 5.422 4.863 1.00 0.00 C ATOM 1313 C LYS A 86 4.107 4.639 5.019 1.00 0.00 C ATOM 1314 O LYS A 86 4.594 4.441 6.132 1.00 0.00 O ATOM 1315 CB LYS A 86 2.990 6.845 5.394 1.00 0.00 C ATOM 1316 CG LYS A 86 3.940 7.688 4.560 1.00 0.00 C ATOM 1317 CD LYS A 86 4.524 8.834 5.368 1.00 0.00 C ATOM 1318 CE LYS A 86 4.995 9.967 4.468 1.00 0.00 C ATOM 1319 NZ LYS A 86 5.015 11.272 5.184 1.00 0.00 N ATOM 0 H LYS A 86 1.659 4.972 6.559 1.00 0.00 H new ATOM 0 HA LYS A 86 2.554 5.466 3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.018 7.338 5.432 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.363 6.797 6.417 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.747 7.061 4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.411 8.085 3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.774 9.209 6.065 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.360 8.471 5.965 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.994 9.743 4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.339 10.039 3.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.341 12.018 4.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.057 11.499 5.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.661 11.212 5.997 1.00 0.00 H new ATOM 1333 N VAL A 87 4.664 4.197 3.896 1.00 0.00 N ATOM 1334 CA VAL A 87 5.909 3.438 3.908 1.00 0.00 C ATOM 1335 C VAL A 87 6.973 4.114 3.051 1.00 0.00 C ATOM 1336 O VAL A 87 6.723 4.473 1.901 1.00 0.00 O ATOM 1337 CB VAL A 87 5.695 2.000 3.400 1.00 0.00 C ATOM 1338 CG1 VAL A 87 6.955 1.171 3.596 1.00 0.00 C ATOM 1339 CG2 VAL A 87 4.509 1.358 4.105 1.00 0.00 C ATOM 0 H VAL A 87 4.273 4.351 2.967 1.00 0.00 H new ATOM 0 HA VAL A 87 6.248 3.403 4.943 1.00 0.00 H new ATOM 0 HB VAL A 87 5.477 2.038 2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.785 0.158 3.231 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.778 1.623 3.042 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.207 1.137 4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.372 0.342 3.734 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.695 1.330 5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.609 1.941 3.908 1.00 0.00 H new ATOM 1349 N MET A 88 8.163 4.285 3.620 1.00 0.00 N ATOM 1350 CA MET A 88 9.266 4.917 2.907 1.00 0.00 C ATOM 1351 C MET A 88 9.922 3.936 1.940 1.00 0.00 C ATOM 1352 O MET A 88 10.383 2.867 2.342 1.00 0.00 O ATOM 1353 CB MET A 88 10.305 5.446 3.897 1.00 0.00 C ATOM 1354 CG MET A 88 9.743 6.454 4.886 1.00 0.00 C ATOM 1355 SD MET A 88 9.829 8.149 4.276 1.00 0.00 S ATOM 1356 CE MET A 88 8.627 8.951 5.334 1.00 0.00 C ATOM 0 H MET A 88 8.387 3.995 4.572 1.00 0.00 H new ATOM 0 HA MET A 88 8.863 5.752 2.333 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.730 4.607 4.448 1.00 0.00 H new ATOM 0 HB3 MET A 88 11.121 5.909 3.342 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.705 6.203 5.104 1.00 0.00 H new ATOM 0 HG3 MET A 88 10.293 6.382 5.824 1.00 0.00 H new ATOM 0 HE1 MET A 88 8.565 10.009 5.078 1.00 0.00 H new ATOM 0 HE2 MET A 88 7.651 8.486 5.193 1.00 0.00 H new ATOM 0 HE3 MET A 88 8.932 8.847 6.375 1.00 0.00 H new ATOM 1366 N LEU A 89 9.961 4.305 0.665 1.00 0.00 N ATOM 1367 CA LEU A 89 10.560 3.457 -0.360 1.00 0.00 C ATOM 1368 C LEU A 89 12.073 3.377 -0.184 1.00 0.00 C ATOM 1369 O LEU A 89 12.709 4.335 0.257 1.00 0.00 O ATOM 1370 CB LEU A 89 10.225 3.992 -1.753 1.00 0.00 C ATOM 1371 CG LEU A 89 8.737 4.101 -2.090 1.00 0.00 C ATOM 1372 CD1 LEU A 89 8.543 4.783 -3.435 1.00 0.00 C ATOM 1373 CD2 LEU A 89 8.088 2.725 -2.089 1.00 0.00 C ATOM 0 H LEU A 89 9.585 5.186 0.316 1.00 0.00 H new ATOM 0 HA LEU A 89 10.146 2.454 -0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.674 4.979 -1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 89 10.698 3.346 -2.492 1.00 0.00 H new ATOM 0 HG LEU A 89 8.254 4.709 -1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.478 4.852 -3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.972 5.785 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.040 4.202 -4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.030 2.822 -2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.574 2.093 -2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.195 2.273 -1.103 1.00 0.00 H new