USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 637 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: C 69 SER OG : rot -63:sc= 1.53 USER MOD Set 1.2: C 71 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 13 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: C 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 11 GLN : amide:sc= -0.756 K(o=-0.76,f=-5.9!) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -0.134 K(o=-0.13,f=-0.88) USER MOD Single : C 21 LYS NZ :NH3+ -160:sc= -0.0218 (180deg=-0.402) USER MOD Single : C 35 CYS SG : rot 180:sc= 0.00529 USER MOD Single : C 37 SER OG : rot -78:sc= 1.08 USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 39 LYS NZ :NH3+ -166:sc= -0.0106 (180deg=-0.251) USER MOD Single : C 43 LYS NZ :NH3+ 163:sc=-8.74e-05 (180deg=-0.376) USER MOD Single : C 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 47 MET CE :methyl -175:sc= 0 (180deg=-0.0177) USER MOD Single : C 50 GLN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD Single : C 51 ASN : amide:sc= -1.65 K(o=-1.6,f=-4.2!) USER MOD Single : C 53 THR OG1 : rot 180:sc= -0.642 USER MOD Single : C 58 GLN : amide:sc= -0.579 X(o=-0.58,f=-0.37) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 80 MET CE :methyl -106:sc=-0.00238 (180deg=-0.147) USER MOD Single : C 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot 152:sc= 0.677 USER MOD Single : C 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 153 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : I 154 MET CE :methyl -174:sc= 0 (180deg=-0.00927) USER MOD Single : I 155 GLN : amide:sc= -0.037 K(o=-0.037,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 106 N ALA C 7 24.330 -0.384 6.457 1.00 0.00 N ATOM 107 CA ALA C 7 25.396 -1.327 6.174 1.00 0.00 C ATOM 108 C ALA C 7 26.738 -0.619 6.214 1.00 0.00 C ATOM 109 O ALA C 7 27.722 -1.172 6.689 1.00 0.00 O ATOM 110 CB ALA C 7 25.182 -1.965 4.796 1.00 0.00 C ATOM 0 HA ALA C 7 25.385 -2.111 6.932 1.00 0.00 H new ATOM 0 HB1 ALA C 7 25.987 -2.671 4.593 1.00 0.00 H new ATOM 0 HB2 ALA C 7 24.227 -2.490 4.783 1.00 0.00 H new ATOM 0 HB3 ALA C 7 25.180 -1.188 4.032 1.00 0.00 H new ATOM 116 N ALA C 8 26.776 0.611 5.714 1.00 0.00 N ATOM 117 CA ALA C 8 28.027 1.368 5.698 1.00 0.00 C ATOM 118 C ALA C 8 28.542 1.591 7.115 1.00 0.00 C ATOM 119 O ALA C 8 29.740 1.497 7.380 1.00 0.00 O ATOM 120 CB ALA C 8 27.813 2.706 4.997 1.00 0.00 C ATOM 0 H ALA C 8 25.972 1.100 5.321 1.00 0.00 H new ATOM 0 HA ALA C 8 28.775 0.793 5.151 1.00 0.00 H new ATOM 0 HB1 ALA C 8 28.748 3.266 4.988 1.00 0.00 H new ATOM 0 HB2 ALA C 8 27.485 2.532 3.972 1.00 0.00 H new ATOM 0 HB3 ALA C 8 27.053 3.278 5.529 1.00 0.00 H new ATOM 126 N VAL C 9 27.619 1.876 8.016 1.00 0.00 N ATOM 127 CA VAL C 9 27.954 2.104 9.416 1.00 0.00 C ATOM 128 C VAL C 9 28.431 0.819 10.080 1.00 0.00 C ATOM 129 O VAL C 9 29.254 0.850 10.993 1.00 0.00 O ATOM 130 CB VAL C 9 26.751 2.665 10.163 1.00 0.00 C ATOM 131 CG1 VAL C 9 27.044 2.664 11.670 1.00 0.00 C ATOM 132 CG2 VAL C 9 26.487 4.103 9.711 1.00 0.00 C ATOM 0 H VAL C 9 26.624 1.956 7.804 1.00 0.00 H new ATOM 0 HA VAL C 9 28.766 2.830 9.455 1.00 0.00 H new ATOM 0 HB VAL C 9 25.878 2.048 9.951 1.00 0.00 H new ATOM 0 HG11 VAL C 9 26.185 3.065 12.208 1.00 0.00 H new ATOM 0 HG12 VAL C 9 27.237 1.644 12.003 1.00 0.00 H new ATOM 0 HG13 VAL C 9 27.919 3.282 11.871 1.00 0.00 H new ATOM 0 HG21 VAL C 9 25.626 4.501 10.248 1.00 0.00 H new ATOM 0 HG22 VAL C 9 27.362 4.717 9.923 1.00 0.00 H new ATOM 0 HG23 VAL C 9 26.285 4.116 8.640 1.00 0.00 H new ATOM 142 N GLU C 10 27.889 -0.306 9.637 1.00 0.00 N ATOM 143 CA GLU C 10 28.266 -1.596 10.202 1.00 0.00 C ATOM 144 C GLU C 10 29.447 -2.206 9.443 1.00 0.00 C ATOM 145 O GLU C 10 30.227 -2.976 10.004 1.00 0.00 O ATOM 146 CB GLU C 10 27.079 -2.547 10.151 1.00 0.00 C ATOM 147 CG GLU C 10 25.934 -1.971 10.982 1.00 0.00 C ATOM 148 CD GLU C 10 24.753 -2.933 10.975 1.00 0.00 C ATOM 149 OE1 GLU C 10 24.765 -3.860 11.767 1.00 0.00 O ATOM 150 OE2 GLU C 10 23.855 -2.734 10.172 1.00 0.00 O1- ATOM 0 H GLU C 10 27.192 -0.354 8.894 1.00 0.00 H new ATOM 0 HA GLU C 10 28.568 -1.439 11.238 1.00 0.00 H new ATOM 0 HB2 GLU C 10 26.758 -2.691 9.119 1.00 0.00 H new ATOM 0 HB3 GLU C 10 27.366 -3.526 10.535 1.00 0.00 H new ATOM 0 HG2 GLU C 10 26.267 -1.798 12.005 1.00 0.00 H new ATOM 0 HG3 GLU C 10 25.630 -1.005 10.578 1.00 0.00 H new ATOM 157 N GLN C 11 29.574 -1.853 8.170 1.00 0.00 N ATOM 158 CA GLN C 11 30.673 -2.359 7.347 1.00 0.00 C ATOM 159 C GLN C 11 32.025 -1.816 7.803 1.00 0.00 C ATOM 160 O GLN C 11 33.019 -2.543 7.805 1.00 0.00 O ATOM 161 CB GLN C 11 30.454 -1.991 5.884 1.00 0.00 C ATOM 162 CG GLN C 11 29.497 -2.990 5.227 1.00 0.00 C ATOM 163 CD GLN C 11 29.078 -2.481 3.849 1.00 0.00 C ATOM 164 OE1 GLN C 11 27.966 -1.981 3.683 1.00 0.00 O ATOM 165 NE2 GLN C 11 29.910 -2.576 2.847 1.00 0.00 N ATOM 0 H GLN C 11 28.936 -1.223 7.685 1.00 0.00 H new ATOM 0 HA GLN C 11 30.683 -3.443 7.460 1.00 0.00 H new ATOM 0 HB2 GLN C 11 30.046 -0.983 5.812 1.00 0.00 H new ATOM 0 HB3 GLN C 11 31.407 -1.987 5.355 1.00 0.00 H new ATOM 0 HG2 GLN C 11 29.981 -3.962 5.133 1.00 0.00 H new ATOM 0 HG3 GLN C 11 28.617 -3.131 5.855 1.00 0.00 H new ATOM 0 HE21 GLN C 11 30.831 -2.991 2.987 1.00 0.00 H new ATOM 0 HE22 GLN C 11 29.639 -2.235 1.925 1.00 0.00 H new ATOM 174 N LEU C 12 32.065 -0.541 8.178 1.00 0.00 N ATOM 175 CA LEU C 12 33.305 0.067 8.614 1.00 0.00 C ATOM 176 C LEU C 12 34.037 -0.833 9.602 1.00 0.00 C ATOM 177 O LEU C 12 33.513 -1.862 10.037 1.00 0.00 O ATOM 178 CB LEU C 12 33.016 1.438 9.230 1.00 0.00 C ATOM 179 CG LEU C 12 31.753 1.367 10.074 1.00 0.00 C ATOM 180 CD1 LEU C 12 31.973 0.399 11.229 1.00 0.00 C ATOM 181 CD2 LEU C 12 31.425 2.752 10.607 1.00 0.00 C ATOM 0 H LEU C 12 31.257 0.082 8.187 1.00 0.00 H new ATOM 0 HA LEU C 12 33.956 0.199 7.750 1.00 0.00 H new ATOM 0 HB2 LEU C 12 33.858 1.755 9.845 1.00 0.00 H new ATOM 0 HB3 LEU C 12 32.897 2.183 8.443 1.00 0.00 H new ATOM 0 HG LEU C 12 30.920 1.013 9.466 1.00 0.00 H new ATOM 0 HD11 LEU C 12 31.069 0.346 11.836 1.00 0.00 H new ATOM 0 HD12 LEU C 12 32.204 -0.591 10.835 1.00 0.00 H new ATOM 0 HD13 LEU C 12 32.803 0.748 11.843 1.00 0.00 H new ATOM 0 HD21 LEU C 12 30.520 2.704 11.212 1.00 0.00 H new ATOM 0 HD22 LEU C 12 32.252 3.112 11.219 1.00 0.00 H new ATOM 0 HD23 LEU C 12 31.267 3.435 9.772 1.00 0.00 H new ATOM 193 N THR C 13 35.259 -0.439 9.938 1.00 0.00 N ATOM 194 CA THR C 13 36.072 -1.202 10.865 1.00 0.00 C ATOM 195 C THR C 13 36.158 -0.491 12.209 1.00 0.00 C ATOM 196 O THR C 13 35.712 0.647 12.361 1.00 0.00 O ATOM 197 CB THR C 13 37.481 -1.397 10.311 1.00 0.00 C ATOM 198 OG1 THR C 13 38.165 -0.154 10.315 1.00 0.00 O ATOM 199 CG2 THR C 13 37.394 -1.920 8.885 1.00 0.00 C ATOM 0 H THR C 13 35.705 0.405 9.580 1.00 0.00 H new ATOM 0 HA THR C 13 35.601 -2.176 11.000 1.00 0.00 H new ATOM 0 HB THR C 13 38.021 -2.113 10.931 1.00 0.00 H new ATOM 0 HG1 THR C 13 39.070 -0.278 9.961 1.00 0.00 H new ATOM 0 HG21 THR C 13 38.399 -2.060 8.487 1.00 0.00 H new ATOM 0 HG22 THR C 13 36.865 -2.873 8.879 1.00 0.00 H new ATOM 0 HG23 THR C 13 36.856 -1.202 8.266 1.00 0.00 H new ATOM 207 N GLU C 14 36.735 -1.177 13.182 1.00 0.00 N ATOM 208 CA GLU C 14 36.880 -0.614 14.520 1.00 0.00 C ATOM 209 C GLU C 14 37.756 0.625 14.472 1.00 0.00 C ATOM 210 O GLU C 14 37.544 1.584 15.211 1.00 0.00 O ATOM 211 CB GLU C 14 37.477 -1.649 15.482 1.00 0.00 C ATOM 212 CG GLU C 14 36.446 -2.748 15.754 1.00 0.00 C ATOM 213 CD GLU C 14 37.074 -3.854 16.595 1.00 0.00 C ATOM 214 OE1 GLU C 14 38.280 -3.821 16.774 1.00 0.00 O ATOM 215 OE2 GLU C 14 36.340 -4.716 17.049 1.00 0.00 O1- ATOM 0 H GLU C 14 37.110 -2.120 13.075 1.00 0.00 H new ATOM 0 HA GLU C 14 35.892 -0.335 14.887 1.00 0.00 H new ATOM 0 HB2 GLU C 14 38.381 -2.082 15.053 1.00 0.00 H new ATOM 0 HB3 GLU C 14 37.767 -1.168 16.416 1.00 0.00 H new ATOM 0 HG2 GLU C 14 35.584 -2.329 16.274 1.00 0.00 H new ATOM 0 HG3 GLU C 14 36.082 -3.158 14.812 1.00 0.00 H new ATOM 222 N GLU C 15 38.740 0.592 13.595 1.00 0.00 N ATOM 223 CA GLU C 15 39.657 1.720 13.449 1.00 0.00 C ATOM 224 C GLU C 15 38.901 2.970 13.014 1.00 0.00 C ATOM 225 O GLU C 15 39.128 4.056 13.548 1.00 0.00 O ATOM 226 CB GLU C 15 40.742 1.393 12.416 1.00 0.00 C ATOM 227 CG GLU C 15 41.689 0.333 12.984 1.00 0.00 C ATOM 228 CD GLU C 15 42.656 -0.136 11.902 1.00 0.00 C ATOM 229 OE1 GLU C 15 42.415 0.170 10.746 1.00 0.00 O ATOM 230 OE2 GLU C 15 43.625 -0.793 12.246 1.00 0.00 O1- ATOM 0 H GLU C 15 38.930 -0.195 12.974 1.00 0.00 H new ATOM 0 HA GLU C 15 40.125 1.906 14.416 1.00 0.00 H new ATOM 0 HB2 GLU C 15 40.284 1.031 11.495 1.00 0.00 H new ATOM 0 HB3 GLU C 15 41.300 2.294 12.161 1.00 0.00 H new ATOM 0 HG2 GLU C 15 42.245 0.744 13.827 1.00 0.00 H new ATOM 0 HG3 GLU C 15 41.116 -0.513 13.363 1.00 0.00 H new ATOM 237 N GLN C 16 37.991 2.805 12.057 1.00 0.00 N ATOM 238 CA GLN C 16 37.194 3.929 11.571 1.00 0.00 C ATOM 239 C GLN C 16 36.272 4.431 12.681 1.00 0.00 C ATOM 240 O GLN C 16 36.064 5.629 12.847 1.00 0.00 O ATOM 241 CB GLN C 16 36.374 3.496 10.354 1.00 0.00 C ATOM 242 CG GLN C 16 37.306 3.266 9.162 1.00 0.00 C ATOM 243 CD GLN C 16 36.493 2.847 7.943 1.00 0.00 C ATOM 244 OE1 GLN C 16 36.670 1.745 7.424 1.00 0.00 O ATOM 245 NE2 GLN C 16 35.594 3.661 7.460 1.00 0.00 N ATOM 0 H GLN C 16 37.788 1.913 11.606 1.00 0.00 H new ATOM 0 HA GLN C 16 37.860 4.740 11.275 1.00 0.00 H new ATOM 0 HB2 GLN C 16 35.824 2.583 10.580 1.00 0.00 H new ATOM 0 HB3 GLN C 16 35.636 4.260 10.109 1.00 0.00 H new ATOM 0 HG2 GLN C 16 37.863 4.177 8.943 1.00 0.00 H new ATOM 0 HG3 GLN C 16 38.038 2.496 9.405 1.00 0.00 H new ATOM 0 HE21 GLN C 16 35.448 4.574 7.891 1.00 0.00 H new ATOM 0 HE22 GLN C 16 35.037 3.384 6.652 1.00 0.00 H new ATOM 254 N LYS C 17 35.724 3.499 13.444 1.00 0.00 N ATOM 255 CA LYS C 17 34.843 3.856 14.547 1.00 0.00 C ATOM 256 C LYS C 17 35.650 4.425 15.693 1.00 0.00 C ATOM 257 O LYS C 17 35.147 5.217 16.487 1.00 0.00 O ATOM 258 CB LYS C 17 34.045 2.631 15.006 1.00 0.00 C ATOM 259 CG LYS C 17 32.910 2.344 14.007 1.00 0.00 C ATOM 260 CD LYS C 17 31.632 3.041 14.489 1.00 0.00 C ATOM 261 CE LYS C 17 30.941 2.173 15.543 1.00 0.00 C ATOM 262 NZ LYS C 17 29.905 1.327 14.886 1.00 0.00 N1+ ATOM 0 H LYS C 17 35.871 2.497 13.323 1.00 0.00 H new ATOM 0 HA LYS C 17 34.140 4.616 14.206 1.00 0.00 H new ATOM 0 HB2 LYS C 17 34.702 1.765 15.082 1.00 0.00 H new ATOM 0 HB3 LYS C 17 33.632 2.806 15.999 1.00 0.00 H new ATOM 0 HG2 LYS C 17 33.183 2.702 13.014 1.00 0.00 H new ATOM 0 HG3 LYS C 17 32.744 1.270 13.924 1.00 0.00 H new ATOM 0 HD2 LYS C 17 31.874 4.017 14.909 1.00 0.00 H new ATOM 0 HD3 LYS C 17 30.960 3.214 13.648 1.00 0.00 H new ATOM 0 HE2 LYS C 17 31.673 1.543 16.049 1.00 0.00 H new ATOM 0 HE3 LYS C 17 30.482 2.803 16.305 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 29.434 0.736 15.601 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 29.201 1.937 14.423 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 30.355 0.716 14.175 1.00 0.00 H new ATOM 276 N ASN C 18 36.904 4.010 15.786 1.00 0.00 N ATOM 277 CA ASN C 18 37.756 4.486 16.854 1.00 0.00 C ATOM 278 C ASN C 18 38.098 5.966 16.688 1.00 0.00 C ATOM 279 O ASN C 18 37.957 6.754 17.624 1.00 0.00 O ATOM 280 CB ASN C 18 39.051 3.671 16.891 1.00 0.00 C ATOM 281 CG ASN C 18 39.952 4.146 18.026 1.00 0.00 C ATOM 282 OD1 ASN C 18 40.625 5.170 17.902 1.00 0.00 O ATOM 283 ND2 ASN C 18 40.016 3.450 19.126 1.00 0.00 N ATOM 0 H ASN C 18 37.346 3.354 15.142 1.00 0.00 H new ATOM 0 HA ASN C 18 37.209 4.364 17.789 1.00 0.00 H new ATOM 0 HB2 ASN C 18 38.818 2.614 17.022 1.00 0.00 H new ATOM 0 HB3 ASN C 18 39.574 3.766 15.940 1.00 0.00 H new ATOM 0 HD21 ASN C 18 40.624 3.753 19.887 1.00 0.00 H new ATOM 0 HD22 ASN C 18 39.458 2.602 19.226 1.00 0.00 H new ATOM 290 N GLU C 19 38.559 6.334 15.496 1.00 0.00 N ATOM 291 CA GLU C 19 38.932 7.720 15.230 1.00 0.00 C ATOM 292 C GLU C 19 37.705 8.618 15.310 1.00 0.00 C ATOM 293 O GLU C 19 37.760 9.723 15.848 1.00 0.00 O ATOM 294 CB GLU C 19 39.572 7.822 13.838 1.00 0.00 C ATOM 295 CG GLU C 19 38.522 7.595 12.755 1.00 0.00 C ATOM 296 CD GLU C 19 39.183 7.505 11.387 1.00 0.00 C ATOM 297 OE1 GLU C 19 40.399 7.408 11.338 1.00 0.00 O ATOM 298 OE2 GLU C 19 38.460 7.534 10.407 1.00 0.00 O1- ATOM 0 H GLU C 19 38.682 5.700 14.707 1.00 0.00 H new ATOM 0 HA GLU C 19 39.652 8.047 15.980 1.00 0.00 H new ATOM 0 HB2 GLU C 19 40.029 8.804 13.711 1.00 0.00 H new ATOM 0 HB3 GLU C 19 40.369 7.085 13.742 1.00 0.00 H new ATOM 0 HG2 GLU C 19 37.970 6.678 12.961 1.00 0.00 H new ATOM 0 HG3 GLU C 19 37.799 8.411 12.764 1.00 0.00 H new ATOM 305 N PHE C 20 36.596 8.118 14.785 1.00 0.00 N ATOM 306 CA PHE C 20 35.344 8.867 14.806 1.00 0.00 C ATOM 307 C PHE C 20 34.926 9.159 16.238 1.00 0.00 C ATOM 308 O PHE C 20 34.600 10.295 16.584 1.00 0.00 O ATOM 309 CB PHE C 20 34.245 8.076 14.090 1.00 0.00 C ATOM 310 CG PHE C 20 32.938 8.256 14.824 1.00 0.00 C ATOM 311 CD1 PHE C 20 32.624 7.399 15.883 1.00 0.00 C ATOM 312 CD2 PHE C 20 32.043 9.267 14.458 1.00 0.00 C ATOM 313 CE1 PHE C 20 31.425 7.551 16.580 1.00 0.00 C ATOM 314 CE2 PHE C 20 30.837 9.416 15.158 1.00 0.00 C ATOM 315 CZ PHE C 20 30.531 8.558 16.218 1.00 0.00 C ATOM 0 H PHE C 20 36.535 7.202 14.341 1.00 0.00 H new ATOM 0 HA PHE C 20 35.496 9.813 14.286 1.00 0.00 H new ATOM 0 HB2 PHE C 20 34.147 8.419 13.060 1.00 0.00 H new ATOM 0 HB3 PHE C 20 34.510 7.019 14.050 1.00 0.00 H new ATOM 0 HD1 PHE C 20 33.313 6.616 16.163 1.00 0.00 H new ATOM 0 HD2 PHE C 20 32.280 9.930 13.639 1.00 0.00 H new ATOM 0 HE1 PHE C 20 31.189 6.889 17.400 1.00 0.00 H new ATOM 0 HE2 PHE C 20 30.144 10.195 14.878 1.00 0.00 H new ATOM 0 HZ PHE C 20 29.602 8.675 16.757 1.00 0.00 H new ATOM 325 N LYS C 21 34.944 8.126 17.068 1.00 0.00 N ATOM 326 CA LYS C 21 34.570 8.278 18.467 1.00 0.00 C ATOM 327 C LYS C 21 35.502 9.260 19.164 1.00 0.00 C ATOM 328 O LYS C 21 35.056 10.113 19.932 1.00 0.00 O ATOM 329 CB LYS C 21 34.626 6.919 19.174 1.00 0.00 C ATOM 330 CG LYS C 21 34.212 7.081 20.640 1.00 0.00 C ATOM 331 CD LYS C 21 34.162 5.710 21.313 1.00 0.00 C ATOM 332 CE LYS C 21 33.810 5.881 22.792 1.00 0.00 C ATOM 333 NZ LYS C 21 34.953 6.529 23.499 1.00 0.00 N1+ ATOM 0 H LYS C 21 35.212 7.179 16.800 1.00 0.00 H new ATOM 0 HA LYS C 21 33.553 8.667 18.514 1.00 0.00 H new ATOM 0 HB2 LYS C 21 33.964 6.211 18.675 1.00 0.00 H new ATOM 0 HB3 LYS C 21 35.634 6.509 19.114 1.00 0.00 H new ATOM 0 HG2 LYS C 21 34.920 7.727 21.159 1.00 0.00 H new ATOM 0 HG3 LYS C 21 33.237 7.563 20.702 1.00 0.00 H new ATOM 0 HD2 LYS C 21 33.421 5.079 20.822 1.00 0.00 H new ATOM 0 HD3 LYS C 21 35.125 5.208 21.213 1.00 0.00 H new ATOM 0 HE2 LYS C 21 32.911 6.489 22.896 1.00 0.00 H new ATOM 0 HE3 LYS C 21 33.593 4.912 23.240 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 34.878 6.347 24.520 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 35.848 6.138 23.143 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 34.931 7.555 23.328 1.00 0.00 H new ATOM 347 N ALA C 22 36.799 9.133 18.896 1.00 0.00 N ATOM 348 CA ALA C 22 37.783 10.016 19.511 1.00 0.00 C ATOM 349 C ALA C 22 37.529 11.467 19.115 1.00 0.00 C ATOM 350 O ALA C 22 37.605 12.372 19.947 1.00 0.00 O ATOM 351 CB ALA C 22 39.191 9.607 19.075 1.00 0.00 C ATOM 0 H ALA C 22 37.189 8.434 18.264 1.00 0.00 H new ATOM 0 HA ALA C 22 37.694 9.928 20.594 1.00 0.00 H new ATOM 0 HB1 ALA C 22 39.922 10.270 19.537 1.00 0.00 H new ATOM 0 HB2 ALA C 22 39.384 8.580 19.386 1.00 0.00 H new ATOM 0 HB3 ALA C 22 39.271 9.679 17.990 1.00 0.00 H new ATOM 357 N ALA C 23 37.224 11.682 17.840 1.00 0.00 N ATOM 358 CA ALA C 23 36.954 13.027 17.344 1.00 0.00 C ATOM 359 C ALA C 23 35.728 13.616 18.028 1.00 0.00 C ATOM 360 O ALA C 23 35.697 14.801 18.360 1.00 0.00 O ATOM 361 CB ALA C 23 36.725 12.994 15.830 1.00 0.00 C ATOM 0 H ALA C 23 37.158 10.948 17.135 1.00 0.00 H new ATOM 0 HA ALA C 23 37.818 13.652 17.568 1.00 0.00 H new ATOM 0 HB1 ALA C 23 36.524 14.003 15.470 1.00 0.00 H new ATOM 0 HB2 ALA C 23 37.614 12.603 15.336 1.00 0.00 H new ATOM 0 HB3 ALA C 23 35.873 12.352 15.605 1.00 0.00 H new ATOM 367 N PHE C 24 34.713 12.783 18.232 1.00 0.00 N ATOM 368 CA PHE C 24 33.483 13.235 18.867 1.00 0.00 C ATOM 369 C PHE C 24 33.771 13.756 20.272 1.00 0.00 C ATOM 370 O PHE C 24 33.265 14.806 20.667 1.00 0.00 O ATOM 371 CB PHE C 24 32.476 12.086 18.940 1.00 0.00 C ATOM 372 CG PHE C 24 31.152 12.608 19.447 1.00 0.00 C ATOM 373 CD1 PHE C 24 30.317 13.331 18.587 1.00 0.00 C ATOM 374 CD2 PHE C 24 30.756 12.365 20.768 1.00 0.00 C ATOM 375 CE1 PHE C 24 29.087 13.814 19.046 1.00 0.00 C ATOM 376 CE2 PHE C 24 29.523 12.849 21.228 1.00 0.00 C ATOM 377 CZ PHE C 24 28.689 13.573 20.365 1.00 0.00 C ATOM 0 H PHE C 24 34.718 11.798 17.968 1.00 0.00 H new ATOM 0 HA PHE C 24 33.062 14.043 18.269 1.00 0.00 H new ATOM 0 HB2 PHE C 24 32.349 11.637 17.955 1.00 0.00 H new ATOM 0 HB3 PHE C 24 32.848 11.304 19.602 1.00 0.00 H new ATOM 0 HD1 PHE C 24 30.623 13.516 17.568 1.00 0.00 H new ATOM 0 HD2 PHE C 24 31.399 11.806 21.431 1.00 0.00 H new ATOM 0 HE1 PHE C 24 28.445 14.373 18.382 1.00 0.00 H new ATOM 0 HE2 PHE C 24 29.216 12.664 22.247 1.00 0.00 H new ATOM 0 HZ PHE C 24 27.739 13.945 20.719 1.00 0.00 H new ATOM 387 N ASP C 25 34.581 13.014 21.025 1.00 0.00 N ATOM 388 CA ASP C 25 34.923 13.415 22.388 1.00 0.00 C ATOM 389 C ASP C 25 35.645 14.764 22.394 1.00 0.00 C ATOM 390 O ASP C 25 35.385 15.615 23.247 1.00 0.00 O ATOM 391 CB ASP C 25 35.820 12.356 23.026 1.00 0.00 C ATOM 392 CG ASP C 25 35.019 11.089 23.311 1.00 0.00 C ATOM 393 OD1 ASP C 25 33.802 11.163 23.284 1.00 0.00 O ATOM 394 OD2 ASP C 25 35.636 10.064 23.548 1.00 0.00 O1- ATOM 0 H ASP C 25 35.009 12.140 20.718 1.00 0.00 H new ATOM 0 HA ASP C 25 34.000 13.511 22.960 1.00 0.00 H new ATOM 0 HB2 ASP C 25 36.653 12.127 22.362 1.00 0.00 H new ATOM 0 HB3 ASP C 25 36.247 12.741 23.952 1.00 0.00 H new ATOM 399 N ILE C 26 36.552 14.954 21.439 1.00 0.00 N ATOM 400 CA ILE C 26 37.294 16.200 21.333 1.00 0.00 C ATOM 401 C ILE C 26 36.375 17.340 20.906 1.00 0.00 C ATOM 402 O ILE C 26 36.483 18.456 21.395 1.00 0.00 O ATOM 403 CB ILE C 26 38.423 16.039 20.326 1.00 0.00 C ATOM 404 CG1 ILE C 26 39.458 15.060 20.877 1.00 0.00 C ATOM 405 CG2 ILE C 26 39.079 17.394 20.103 1.00 0.00 C ATOM 406 CD1 ILE C 26 40.414 14.656 19.760 1.00 0.00 C ATOM 0 H ILE C 26 36.788 14.260 20.730 1.00 0.00 H new ATOM 0 HA ILE C 26 37.711 16.442 22.311 1.00 0.00 H new ATOM 0 HB ILE C 26 38.029 15.657 19.384 1.00 0.00 H new ATOM 0 HG12 ILE C 26 40.011 15.520 21.696 1.00 0.00 H new ATOM 0 HG13 ILE C 26 38.962 14.179 21.283 1.00 0.00 H new ATOM 0 HG21 ILE C 26 39.890 17.291 19.383 1.00 0.00 H new ATOM 0 HG22 ILE C 26 38.340 18.097 19.719 1.00 0.00 H new ATOM 0 HG23 ILE C 26 39.477 17.765 21.047 1.00 0.00 H new ATOM 0 HD11 ILE C 26 41.154 13.957 20.150 1.00 0.00 H new ATOM 0 HD12 ILE C 26 39.853 14.180 18.956 1.00 0.00 H new ATOM 0 HD13 ILE C 26 40.919 15.542 19.375 1.00 0.00 H new ATOM 418 N PHE C 27 35.475 17.054 19.978 1.00 0.00 N ATOM 419 CA PHE C 27 34.553 18.076 19.490 1.00 0.00 C ATOM 420 C PHE C 27 33.702 18.635 20.626 1.00 0.00 C ATOM 421 O PHE C 27 33.411 19.832 20.667 1.00 0.00 O ATOM 422 CB PHE C 27 33.642 17.479 18.420 1.00 0.00 C ATOM 423 CG PHE C 27 34.275 17.662 17.062 1.00 0.00 C ATOM 424 CD1 PHE C 27 35.630 17.364 16.874 1.00 0.00 C ATOM 425 CD2 PHE C 27 33.506 18.127 15.990 1.00 0.00 C ATOM 426 CE1 PHE C 27 36.216 17.532 15.613 1.00 0.00 C ATOM 427 CE2 PHE C 27 34.091 18.295 14.729 1.00 0.00 C ATOM 428 CZ PHE C 27 35.446 17.997 14.541 1.00 0.00 C ATOM 0 H PHE C 27 35.361 16.135 19.550 1.00 0.00 H new ATOM 0 HA PHE C 27 35.141 18.890 19.065 1.00 0.00 H new ATOM 0 HB2 PHE C 27 33.478 16.420 18.617 1.00 0.00 H new ATOM 0 HB3 PHE C 27 32.666 17.963 18.446 1.00 0.00 H new ATOM 0 HD1 PHE C 27 36.224 17.004 17.702 1.00 0.00 H new ATOM 0 HD2 PHE C 27 32.461 18.357 16.135 1.00 0.00 H new ATOM 0 HE1 PHE C 27 37.261 17.303 15.468 1.00 0.00 H new ATOM 0 HE2 PHE C 27 33.497 18.654 13.902 1.00 0.00 H new ATOM 0 HZ PHE C 27 35.897 18.126 13.568 1.00 0.00 H new ATOM 438 N VAL C 28 33.298 17.764 21.537 1.00 0.00 N ATOM 439 CA VAL C 28 32.470 18.182 22.663 1.00 0.00 C ATOM 440 C VAL C 28 33.330 18.540 23.873 1.00 0.00 C ATOM 441 O VAL C 28 32.919 18.346 25.019 1.00 0.00 O ATOM 442 CB VAL C 28 31.488 17.070 23.037 1.00 0.00 C ATOM 443 CG1 VAL C 28 30.626 16.713 21.822 1.00 0.00 C ATOM 444 CG2 VAL C 28 32.263 15.835 23.494 1.00 0.00 C ATOM 0 H VAL C 28 33.526 16.770 21.522 1.00 0.00 H new ATOM 0 HA VAL C 28 31.913 19.069 22.361 1.00 0.00 H new ATOM 0 HB VAL C 28 30.845 17.415 23.847 1.00 0.00 H new ATOM 0 HG11 VAL C 28 29.928 15.921 22.092 1.00 0.00 H new ATOM 0 HG12 VAL C 28 30.070 17.593 21.499 1.00 0.00 H new ATOM 0 HG13 VAL C 28 31.267 16.371 21.009 1.00 0.00 H new ATOM 0 HG21 VAL C 28 31.562 15.044 23.760 1.00 0.00 H new ATOM 0 HG22 VAL C 28 32.909 15.491 22.686 1.00 0.00 H new ATOM 0 HG23 VAL C 28 32.871 16.088 24.362 1.00 0.00 H new ATOM 454 N LEU C 29 34.525 19.063 23.615 1.00 0.00 N ATOM 455 CA LEU C 29 35.425 19.447 24.692 1.00 0.00 C ATOM 456 C LEU C 29 34.792 20.525 25.568 1.00 0.00 C ATOM 457 O LEU C 29 34.991 20.543 26.783 1.00 0.00 O ATOM 458 CB LEU C 29 36.745 19.959 24.112 1.00 0.00 C ATOM 459 CG LEU C 29 36.498 21.262 23.335 1.00 0.00 C ATOM 460 CD1 LEU C 29 36.873 22.467 24.204 1.00 0.00 C ATOM 461 CD2 LEU C 29 37.343 21.287 22.058 1.00 0.00 C ATOM 0 H LEU C 29 34.889 19.229 22.677 1.00 0.00 H new ATOM 0 HA LEU C 29 35.618 18.569 25.308 1.00 0.00 H new ATOM 0 HB2 LEU C 29 37.463 20.133 24.914 1.00 0.00 H new ATOM 0 HB3 LEU C 29 37.179 19.208 23.453 1.00 0.00 H new ATOM 0 HG LEU C 29 35.442 21.312 23.071 1.00 0.00 H new ATOM 0 HD11 LEU C 29 36.695 23.387 23.647 1.00 0.00 H new ATOM 0 HD12 LEU C 29 36.264 22.467 25.108 1.00 0.00 H new ATOM 0 HD13 LEU C 29 37.927 22.405 24.476 1.00 0.00 H new ATOM 0 HD21 LEU C 29 37.158 22.215 21.518 1.00 0.00 H new ATOM 0 HD22 LEU C 29 38.399 21.223 22.319 1.00 0.00 H new ATOM 0 HD23 LEU C 29 37.074 20.440 21.427 1.00 0.00 H new ATOM 473 N GLY C 30 34.035 21.423 24.943 1.00 0.00 N ATOM 474 CA GLY C 30 33.385 22.499 25.674 1.00 0.00 C ATOM 475 C GLY C 30 31.932 22.162 25.977 1.00 0.00 C ATOM 476 O GLY C 30 31.239 22.926 26.652 1.00 0.00 O ATOM 0 H GLY C 30 33.859 21.425 23.938 1.00 0.00 H new ATOM 0 HA2 GLY C 30 33.920 22.684 26.606 1.00 0.00 H new ATOM 0 HA3 GLY C 30 33.433 23.419 25.091 1.00 0.00 H new ATOM 480 N ALA C 31 31.476 21.017 25.478 1.00 0.00 N ATOM 481 CA ALA C 31 30.099 20.592 25.703 1.00 0.00 C ATOM 482 C ALA C 31 30.054 19.461 26.720 1.00 0.00 C ATOM 483 O ALA C 31 30.435 18.330 26.421 1.00 0.00 O ATOM 484 CB ALA C 31 29.477 20.123 24.387 1.00 0.00 C ATOM 0 H ALA C 31 32.035 20.372 24.920 1.00 0.00 H new ATOM 0 HA ALA C 31 29.532 21.439 26.090 1.00 0.00 H new ATOM 0 HB1 ALA C 31 28.449 19.807 24.563 1.00 0.00 H new ATOM 0 HB2 ALA C 31 29.487 20.942 23.668 1.00 0.00 H new ATOM 0 HB3 ALA C 31 30.051 19.285 23.991 1.00 0.00 H new ATOM 490 N GLU C 32 29.593 19.775 27.925 1.00 0.00 N ATOM 491 CA GLU C 32 29.513 18.773 28.982 1.00 0.00 C ATOM 492 C GLU C 32 28.429 17.749 28.680 1.00 0.00 C ATOM 493 O GLU C 32 28.540 16.578 29.039 1.00 0.00 O ATOM 494 CB GLU C 32 29.220 19.452 30.318 1.00 0.00 C ATOM 495 CG GLU C 32 27.802 20.025 30.299 1.00 0.00 C ATOM 496 CD GLU C 32 26.792 18.952 30.701 1.00 0.00 C ATOM 497 OE1 GLU C 32 27.082 18.205 31.622 1.00 0.00 O ATOM 498 OE2 GLU C 32 25.747 18.889 30.074 1.00 0.00 O1- ATOM 0 H GLU C 32 29.272 20.705 28.193 1.00 0.00 H new ATOM 0 HA GLU C 32 30.471 18.256 29.036 1.00 0.00 H new ATOM 0 HB2 GLU C 32 29.323 18.735 31.133 1.00 0.00 H new ATOM 0 HB3 GLU C 32 29.943 20.247 30.500 1.00 0.00 H new ATOM 0 HG2 GLU C 32 27.735 20.871 30.982 1.00 0.00 H new ATOM 0 HG3 GLU C 32 27.567 20.400 29.303 1.00 0.00 H new ATOM 505 N ASP C 33 27.388 18.209 28.015 1.00 0.00 N ATOM 506 CA ASP C 33 26.270 17.339 27.651 1.00 0.00 C ATOM 507 C ASP C 33 26.694 16.332 26.587 1.00 0.00 C ATOM 508 O ASP C 33 26.047 15.301 26.400 1.00 0.00 O ATOM 509 CB ASP C 33 25.090 18.166 27.131 1.00 0.00 C ATOM 510 CG ASP C 33 23.904 17.252 26.836 1.00 0.00 C ATOM 511 OD1 ASP C 33 23.119 17.019 27.742 1.00 0.00 O1- ATOM 512 OD2 ASP C 33 23.798 16.796 25.709 1.00 0.00 O ATOM 0 H ASP C 33 27.286 19.178 27.713 1.00 0.00 H new ATOM 0 HA ASP C 33 25.961 16.800 28.547 1.00 0.00 H new ATOM 0 HB2 ASP C 33 24.807 18.916 27.870 1.00 0.00 H new ATOM 0 HB3 ASP C 33 25.381 18.702 26.227 1.00 0.00 H new ATOM 517 N GLY C 34 27.785 16.640 25.893 1.00 0.00 N ATOM 518 CA GLY C 34 28.291 15.757 24.849 1.00 0.00 C ATOM 519 C GLY C 34 27.734 16.156 23.491 1.00 0.00 C ATOM 520 O GLY C 34 27.977 15.486 22.488 1.00 0.00 O ATOM 0 H GLY C 34 28.333 17.489 26.034 1.00 0.00 H new ATOM 0 HA2 GLY C 34 29.380 15.798 24.827 1.00 0.00 H new ATOM 0 HA3 GLY C 34 28.015 14.726 25.072 1.00 0.00 H new ATOM 524 N CYS C 35 26.991 17.256 23.463 1.00 0.00 N ATOM 525 CA CYS C 35 26.409 17.742 22.214 1.00 0.00 C ATOM 526 C CYS C 35 27.334 18.765 21.557 1.00 0.00 C ATOM 527 O CYS C 35 28.179 19.359 22.222 1.00 0.00 O ATOM 528 CB CYS C 35 25.048 18.385 22.484 1.00 0.00 C ATOM 529 SG CYS C 35 25.283 19.946 23.372 1.00 0.00 S ATOM 0 H CYS C 35 26.778 17.825 24.282 1.00 0.00 H new ATOM 0 HA CYS C 35 26.282 16.894 21.541 1.00 0.00 H new ATOM 0 HB2 CYS C 35 24.526 18.564 21.544 1.00 0.00 H new ATOM 0 HB3 CYS C 35 24.425 17.710 23.071 1.00 0.00 H new ATOM 0 HG CYS C 35 24.126 20.494 23.600 1.00 0.00 H new ATOM 535 N ILE C 36 27.164 18.970 20.252 1.00 0.00 N ATOM 536 CA ILE C 36 27.986 19.929 19.516 1.00 0.00 C ATOM 537 C ILE C 36 27.117 21.062 18.989 1.00 0.00 C ATOM 538 O ILE C 36 26.152 20.830 18.259 1.00 0.00 O ATOM 539 CB ILE C 36 28.666 19.219 18.341 1.00 0.00 C ATOM 540 CG1 ILE C 36 29.531 18.072 18.870 1.00 0.00 C ATOM 541 CG2 ILE C 36 29.559 20.210 17.582 1.00 0.00 C ATOM 542 CD1 ILE C 36 29.932 17.154 17.712 1.00 0.00 C ATOM 0 H ILE C 36 26.468 18.487 19.684 1.00 0.00 H new ATOM 0 HA ILE C 36 28.742 20.340 20.185 1.00 0.00 H new ATOM 0 HB ILE C 36 27.902 18.828 17.669 1.00 0.00 H new ATOM 0 HG12 ILE C 36 30.421 18.470 19.357 1.00 0.00 H new ATOM 0 HG13 ILE C 36 28.982 17.506 19.622 1.00 0.00 H new ATOM 0 HG21 ILE C 36 30.040 19.700 16.747 1.00 0.00 H new ATOM 0 HG22 ILE C 36 28.951 21.032 17.204 1.00 0.00 H new ATOM 0 HG23 ILE C 36 30.321 20.603 18.255 1.00 0.00 H new ATOM 0 HD11 ILE C 36 30.548 16.338 18.091 1.00 0.00 H new ATOM 0 HD12 ILE C 36 29.036 16.746 17.244 1.00 0.00 H new ATOM 0 HD13 ILE C 36 30.498 17.724 16.975 1.00 0.00 H new ATOM 554 N SER C 37 27.476 22.286 19.362 1.00 0.00 N ATOM 555 CA SER C 37 26.739 23.467 18.929 1.00 0.00 C ATOM 556 C SER C 37 27.629 24.356 18.069 1.00 0.00 C ATOM 557 O SER C 37 28.742 23.968 17.708 1.00 0.00 O ATOM 558 CB SER C 37 26.242 24.257 20.139 1.00 0.00 C ATOM 559 OG SER C 37 27.325 24.980 20.707 1.00 0.00 O ATOM 0 H SER C 37 28.274 22.486 19.964 1.00 0.00 H new ATOM 0 HA SER C 37 25.881 23.141 18.341 1.00 0.00 H new ATOM 0 HB2 SER C 37 25.450 24.943 19.839 1.00 0.00 H new ATOM 0 HB3 SER C 37 25.814 23.580 20.879 1.00 0.00 H new ATOM 0 HG SER C 37 27.883 24.372 21.235 1.00 0.00 H new ATOM 565 N THR C 38 27.136 25.545 17.742 1.00 0.00 N ATOM 566 CA THR C 38 27.895 26.473 16.923 1.00 0.00 C ATOM 567 C THR C 38 29.152 26.921 17.659 1.00 0.00 C ATOM 568 O THR C 38 30.139 27.318 17.037 1.00 0.00 O ATOM 569 CB THR C 38 27.029 27.690 16.592 1.00 0.00 C ATOM 570 OG1 THR C 38 26.631 28.328 17.798 1.00 0.00 O ATOM 571 CG2 THR C 38 25.789 27.247 15.814 1.00 0.00 C ATOM 0 H THR C 38 26.219 25.885 18.031 1.00 0.00 H new ATOM 0 HA THR C 38 28.188 25.973 16.000 1.00 0.00 H new ATOM 0 HB THR C 38 27.604 28.387 15.983 1.00 0.00 H new ATOM 0 HG1 THR C 38 26.078 29.109 17.588 1.00 0.00 H new ATOM 0 HG21 THR C 38 25.176 28.117 15.581 1.00 0.00 H new ATOM 0 HG22 THR C 38 26.095 26.760 14.888 1.00 0.00 H new ATOM 0 HG23 THR C 38 25.211 26.547 16.418 1.00 0.00 H new ATOM 579 N LYS C 39 29.111 26.864 18.989 1.00 0.00 N ATOM 580 CA LYS C 39 30.259 27.268 19.792 1.00 0.00 C ATOM 581 C LYS C 39 31.398 26.256 19.664 1.00 0.00 C ATOM 582 O LYS C 39 32.548 26.634 19.438 1.00 0.00 O ATOM 583 CB LYS C 39 29.847 27.393 21.258 1.00 0.00 C ATOM 584 CG LYS C 39 30.999 27.995 22.063 1.00 0.00 C ATOM 585 CD LYS C 39 30.530 28.270 23.493 1.00 0.00 C ATOM 586 CE LYS C 39 31.626 29.016 24.256 1.00 0.00 C ATOM 587 NZ LYS C 39 32.821 28.139 24.401 1.00 0.00 N1+ ATOM 0 H LYS C 39 28.305 26.546 19.526 1.00 0.00 H new ATOM 0 HA LYS C 39 30.610 28.233 19.426 1.00 0.00 H new ATOM 0 HB2 LYS C 39 28.961 28.022 21.345 1.00 0.00 H new ATOM 0 HB3 LYS C 39 29.583 26.414 21.657 1.00 0.00 H new ATOM 0 HG2 LYS C 39 31.848 27.311 22.072 1.00 0.00 H new ATOM 0 HG3 LYS C 39 31.340 28.919 21.596 1.00 0.00 H new ATOM 0 HD2 LYS C 39 29.615 28.862 23.479 1.00 0.00 H new ATOM 0 HD3 LYS C 39 30.296 27.332 23.997 1.00 0.00 H new ATOM 0 HE2 LYS C 39 31.895 29.929 23.725 1.00 0.00 H new ATOM 0 HE3 LYS C 39 31.260 29.314 25.239 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 33.465 28.544 25.110 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 32.521 27.191 24.707 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 33.313 28.069 23.487 1.00 0.00 H new ATOM 601 N GLU C 40 31.073 24.970 19.804 1.00 0.00 N ATOM 602 CA GLU C 40 32.078 23.919 19.694 1.00 0.00 C ATOM 603 C GLU C 40 32.645 23.857 18.283 1.00 0.00 C ATOM 604 O GLU C 40 33.841 23.639 18.094 1.00 0.00 O ATOM 605 CB GLU C 40 31.460 22.575 20.077 1.00 0.00 C ATOM 606 CG GLU C 40 31.244 22.515 21.592 1.00 0.00 C ATOM 607 CD GLU C 40 30.164 23.507 22.009 1.00 0.00 C ATOM 608 OE1 GLU C 40 29.231 23.691 21.247 1.00 0.00 O ATOM 609 OE2 GLU C 40 30.290 24.070 23.084 1.00 0.00 O1- ATOM 0 H GLU C 40 30.128 24.636 19.992 1.00 0.00 H new ATOM 0 HA GLU C 40 32.897 24.146 20.377 1.00 0.00 H new ATOM 0 HB2 GLU C 40 30.510 22.441 19.560 1.00 0.00 H new ATOM 0 HB3 GLU C 40 32.113 21.761 19.761 1.00 0.00 H new ATOM 0 HG2 GLU C 40 30.954 21.506 21.886 1.00 0.00 H new ATOM 0 HG3 GLU C 40 32.176 22.742 22.109 1.00 0.00 H new ATOM 616 N LEU C 41 31.778 24.044 17.298 1.00 0.00 N ATOM 617 CA LEU C 41 32.200 24.004 15.904 1.00 0.00 C ATOM 618 C LEU C 41 33.174 25.132 15.599 1.00 0.00 C ATOM 619 O LEU C 41 33.817 25.147 14.551 1.00 0.00 O ATOM 620 CB LEU C 41 30.977 24.111 14.990 1.00 0.00 C ATOM 621 CG LEU C 41 30.299 22.745 14.869 1.00 0.00 C ATOM 622 CD1 LEU C 41 28.836 22.934 14.464 1.00 0.00 C ATOM 623 CD2 LEU C 41 31.003 21.914 13.789 1.00 0.00 C ATOM 0 H LEU C 41 30.784 24.224 17.436 1.00 0.00 H new ATOM 0 HA LEU C 41 32.707 23.056 15.724 1.00 0.00 H new ATOM 0 HB2 LEU C 41 30.275 24.842 15.391 1.00 0.00 H new ATOM 0 HB3 LEU C 41 31.278 24.466 14.005 1.00 0.00 H new ATOM 0 HG LEU C 41 30.357 22.233 15.829 1.00 0.00 H new ATOM 0 HD11 LEU C 41 28.354 21.960 14.378 1.00 0.00 H new ATOM 0 HD12 LEU C 41 28.323 23.528 15.221 1.00 0.00 H new ATOM 0 HD13 LEU C 41 28.788 23.449 13.504 1.00 0.00 H new ATOM 0 HD21 LEU C 41 30.518 20.941 13.705 1.00 0.00 H new ATOM 0 HD22 LEU C 41 30.942 22.434 12.833 1.00 0.00 H new ATOM 0 HD23 LEU C 41 32.049 21.775 14.061 1.00 0.00 H new ATOM 635 N GLY C 42 33.282 26.075 16.521 1.00 0.00 N ATOM 636 CA GLY C 42 34.184 27.202 16.343 1.00 0.00 C ATOM 637 C GLY C 42 35.623 26.721 16.186 1.00 0.00 C ATOM 638 O GLY C 42 36.392 27.272 15.397 1.00 0.00 O ATOM 0 H GLY C 42 32.759 26.083 17.397 1.00 0.00 H new ATOM 0 HA2 GLY C 42 33.889 27.775 15.464 1.00 0.00 H new ATOM 0 HA3 GLY C 42 34.111 27.872 17.200 1.00 0.00 H new ATOM 642 N LYS C 43 35.978 25.687 16.938 1.00 0.00 N ATOM 643 CA LYS C 43 37.326 25.134 16.876 1.00 0.00 C ATOM 644 C LYS C 43 37.587 24.522 15.510 1.00 0.00 C ATOM 645 O LYS C 43 38.689 24.623 14.971 1.00 0.00 O ATOM 646 CB LYS C 43 37.526 24.082 17.973 1.00 0.00 C ATOM 647 CG LYS C 43 37.829 24.780 19.303 1.00 0.00 C ATOM 648 CD LYS C 43 36.741 25.811 19.607 1.00 0.00 C ATOM 649 CE LYS C 43 36.753 26.135 21.103 1.00 0.00 C ATOM 650 NZ LYS C 43 38.140 26.491 21.522 1.00 0.00 N1+ ATOM 0 H LYS C 43 35.356 25.216 17.595 1.00 0.00 H new ATOM 0 HA LYS C 43 38.037 25.945 17.037 1.00 0.00 H new ATOM 0 HB2 LYS C 43 36.631 23.467 18.069 1.00 0.00 H new ATOM 0 HB3 LYS C 43 38.345 23.414 17.706 1.00 0.00 H new ATOM 0 HG2 LYS C 43 37.881 24.045 20.106 1.00 0.00 H new ATOM 0 HG3 LYS C 43 38.802 25.268 19.254 1.00 0.00 H new ATOM 0 HD2 LYS C 43 36.911 26.717 19.026 1.00 0.00 H new ATOM 0 HD3 LYS C 43 35.765 25.423 19.315 1.00 0.00 H new ATOM 0 HE2 LYS C 43 36.074 26.962 21.313 1.00 0.00 H new ATOM 0 HE3 LYS C 43 36.397 25.278 21.675 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 38.111 26.981 22.439 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 38.709 25.625 21.610 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 38.568 27.116 20.809 1.00 0.00 H new ATOM 664 N VAL C 44 36.568 23.881 14.956 1.00 0.00 N ATOM 665 CA VAL C 44 36.697 23.246 13.654 1.00 0.00 C ATOM 666 C VAL C 44 37.010 24.277 12.581 1.00 0.00 C ATOM 667 O VAL C 44 37.891 24.073 11.746 1.00 0.00 O ATOM 668 CB VAL C 44 35.393 22.544 13.303 1.00 0.00 C ATOM 669 CG1 VAL C 44 35.448 22.045 11.853 1.00 0.00 C ATOM 670 CG2 VAL C 44 35.175 21.352 14.240 1.00 0.00 C ATOM 0 H VAL C 44 35.648 23.787 15.386 1.00 0.00 H new ATOM 0 HA VAL C 44 37.513 22.525 13.699 1.00 0.00 H new ATOM 0 HB VAL C 44 34.569 23.249 13.416 1.00 0.00 H new ATOM 0 HG11 VAL C 44 34.513 21.543 11.605 1.00 0.00 H new ATOM 0 HG12 VAL C 44 35.594 22.892 11.182 1.00 0.00 H new ATOM 0 HG13 VAL C 44 36.276 21.345 11.740 1.00 0.00 H new ATOM 0 HG21 VAL C 44 34.240 20.854 13.984 1.00 0.00 H new ATOM 0 HG22 VAL C 44 36.002 20.649 14.133 1.00 0.00 H new ATOM 0 HG23 VAL C 44 35.128 21.703 15.271 1.00 0.00 H new ATOM 680 N MET C 45 36.274 25.381 12.599 1.00 0.00 N ATOM 681 CA MET C 45 36.481 26.425 11.610 1.00 0.00 C ATOM 682 C MET C 45 37.879 27.023 11.740 1.00 0.00 C ATOM 683 O MET C 45 38.529 27.338 10.741 1.00 0.00 O ATOM 684 CB MET C 45 35.442 27.533 11.783 1.00 0.00 C ATOM 685 CG MET C 45 34.062 27.024 11.368 1.00 0.00 C ATOM 686 SD MET C 45 34.031 26.719 9.584 1.00 0.00 S ATOM 687 CE MET C 45 32.341 26.072 9.493 1.00 0.00 C ATOM 0 H MET C 45 35.538 25.573 13.279 1.00 0.00 H new ATOM 0 HA MET C 45 36.375 25.977 10.622 1.00 0.00 H new ATOM 0 HB2 MET C 45 35.420 27.863 12.822 1.00 0.00 H new ATOM 0 HB3 MET C 45 35.717 28.398 11.179 1.00 0.00 H new ATOM 0 HG2 MET C 45 33.826 26.107 11.907 1.00 0.00 H new ATOM 0 HG3 MET C 45 33.299 27.756 11.634 1.00 0.00 H new ATOM 0 HE1 MET C 45 32.105 25.814 8.461 1.00 0.00 H new ATOM 0 HE2 MET C 45 32.258 25.182 10.117 1.00 0.00 H new ATOM 0 HE3 MET C 45 31.642 26.830 9.846 1.00 0.00 H new ATOM 697 N ARG C 46 38.332 27.190 12.976 1.00 0.00 N ATOM 698 CA ARG C 46 39.646 27.763 13.228 1.00 0.00 C ATOM 699 C ARG C 46 40.726 26.906 12.572 1.00 0.00 C ATOM 700 O ARG C 46 41.664 27.421 11.966 1.00 0.00 O ATOM 701 CB ARG C 46 39.895 27.847 14.738 1.00 0.00 C ATOM 702 CG ARG C 46 41.161 28.662 15.003 1.00 0.00 C ATOM 703 CD ARG C 46 41.433 28.714 16.507 1.00 0.00 C ATOM 704 NE ARG C 46 41.846 27.403 16.991 1.00 0.00 N ATOM 705 CZ ARG C 46 42.097 27.193 18.278 1.00 0.00 C ATOM 706 NH1 ARG C 46 41.974 28.171 19.134 1.00 0.00 N ATOM 707 NH2 ARG C 46 42.468 26.010 18.686 1.00 0.00 N1+ ATOM 0 H ARG C 46 37.811 26.938 13.816 1.00 0.00 H new ATOM 0 HA ARG C 46 39.683 28.766 12.802 1.00 0.00 H new ATOM 0 HB2 ARG C 46 39.041 28.311 15.233 1.00 0.00 H new ATOM 0 HB3 ARG C 46 40.000 26.846 15.156 1.00 0.00 H new ATOM 0 HG2 ARG C 46 42.009 28.214 14.485 1.00 0.00 H new ATOM 0 HG3 ARG C 46 41.045 29.672 14.609 1.00 0.00 H new ATOM 0 HD2 ARG C 46 42.210 29.449 16.718 1.00 0.00 H new ATOM 0 HD3 ARG C 46 40.536 29.038 17.035 1.00 0.00 H new ATOM 0 HE ARG C 46 41.944 26.633 16.329 1.00 0.00 H new ATOM 0 HH11 ARG C 46 41.685 29.095 18.814 1.00 0.00 H new ATOM 0 HH12 ARG C 46 42.167 28.011 20.123 1.00 0.00 H new ATOM 0 HH21 ARG C 46 42.565 25.247 18.016 1.00 0.00 H new ATOM 0 HH22 ARG C 46 42.661 25.849 19.675 1.00 0.00 H new ATOM 721 N MET C 47 40.581 25.592 12.689 1.00 0.00 N ATOM 722 CA MET C 47 41.547 24.670 12.099 1.00 0.00 C ATOM 723 C MET C 47 41.547 24.798 10.580 1.00 0.00 C ATOM 724 O MET C 47 42.590 24.702 9.934 1.00 0.00 O ATOM 725 CB MET C 47 41.210 23.233 12.502 1.00 0.00 C ATOM 726 CG MET C 47 41.471 23.046 14.000 1.00 0.00 C ATOM 727 SD MET C 47 43.249 23.122 14.326 1.00 0.00 S ATOM 728 CE MET C 47 43.159 22.895 16.120 1.00 0.00 C ATOM 0 H MET C 47 39.810 25.142 13.183 1.00 0.00 H new ATOM 0 HA MET C 47 42.541 24.922 12.470 1.00 0.00 H new ATOM 0 HB2 MET C 47 40.166 23.016 12.274 1.00 0.00 H new ATOM 0 HB3 MET C 47 41.814 22.532 11.927 1.00 0.00 H new ATOM 0 HG2 MET C 47 40.954 23.820 14.568 1.00 0.00 H new ATOM 0 HG3 MET C 47 41.072 22.087 14.331 1.00 0.00 H new ATOM 0 HE1 MET C 47 44.155 22.998 16.550 1.00 0.00 H new ATOM 0 HE2 MET C 47 42.499 23.649 16.549 1.00 0.00 H new ATOM 0 HE3 MET C 47 42.769 21.902 16.342 1.00 0.00 H new ATOM 738 N LEU C 48 40.367 25.010 10.023 1.00 0.00 N ATOM 739 CA LEU C 48 40.218 25.148 8.575 1.00 0.00 C ATOM 740 C LEU C 48 40.644 26.540 8.123 1.00 0.00 C ATOM 741 O LEU C 48 40.646 26.839 6.929 1.00 0.00 O ATOM 742 CB LEU C 48 38.761 24.902 8.168 1.00 0.00 C ATOM 743 CG LEU C 48 38.356 23.475 8.552 1.00 0.00 C ATOM 744 CD1 LEU C 48 36.868 23.270 8.265 1.00 0.00 C ATOM 745 CD2 LEU C 48 39.174 22.454 7.748 1.00 0.00 C ATOM 0 H LEU C 48 39.495 25.091 10.547 1.00 0.00 H new ATOM 0 HA LEU C 48 40.858 24.408 8.094 1.00 0.00 H new ATOM 0 HB2 LEU C 48 38.108 25.622 8.662 1.00 0.00 H new ATOM 0 HB3 LEU C 48 38.643 25.048 7.094 1.00 0.00 H new ATOM 0 HG LEU C 48 38.550 23.329 9.615 1.00 0.00 H new ATOM 0 HD11 LEU C 48 36.581 22.255 8.539 1.00 0.00 H new ATOM 0 HD12 LEU C 48 36.284 23.982 8.848 1.00 0.00 H new ATOM 0 HD13 LEU C 48 36.677 23.427 7.203 1.00 0.00 H new ATOM 0 HD21 LEU C 48 38.876 21.445 8.031 1.00 0.00 H new ATOM 0 HD22 LEU C 48 38.993 22.600 6.683 1.00 0.00 H new ATOM 0 HD23 LEU C 48 40.235 22.591 7.958 1.00 0.00 H new ATOM 757 N GLY C 49 41.004 27.386 9.083 1.00 0.00 N ATOM 758 CA GLY C 49 41.431 28.740 8.767 1.00 0.00 C ATOM 759 C GLY C 49 40.243 29.619 8.398 1.00 0.00 C ATOM 760 O GLY C 49 40.393 30.601 7.671 1.00 0.00 O ATOM 0 H GLY C 49 41.008 27.159 10.077 1.00 0.00 H new ATOM 0 HA2 GLY C 49 41.952 29.169 9.623 1.00 0.00 H new ATOM 0 HA3 GLY C 49 42.141 28.717 7.940 1.00 0.00 H new ATOM 764 N GLN C 50 39.065 29.259 8.906 1.00 0.00 N ATOM 765 CA GLN C 50 37.853 30.019 8.631 1.00 0.00 C ATOM 766 C GLN C 50 37.314 30.648 9.911 1.00 0.00 C ATOM 767 O GLN C 50 37.376 30.051 10.987 1.00 0.00 O ATOM 768 CB GLN C 50 36.787 29.104 8.021 1.00 0.00 C ATOM 769 CG GLN C 50 37.283 28.570 6.676 1.00 0.00 C ATOM 770 CD GLN C 50 36.210 27.697 6.035 1.00 0.00 C ATOM 771 OE1 GLN C 50 35.749 26.731 6.642 1.00 0.00 O ATOM 772 NE2 GLN C 50 35.784 27.984 4.835 1.00 0.00 N ATOM 0 H GLN C 50 38.927 28.447 9.508 1.00 0.00 H new ATOM 0 HA GLN C 50 38.097 30.812 7.924 1.00 0.00 H new ATOM 0 HB2 GLN C 50 36.573 28.276 8.697 1.00 0.00 H new ATOM 0 HB3 GLN C 50 35.855 29.653 7.885 1.00 0.00 H new ATOM 0 HG2 GLN C 50 37.531 29.400 6.015 1.00 0.00 H new ATOM 0 HG3 GLN C 50 38.196 27.992 6.819 1.00 0.00 H new ATOM 0 HE21 GLN C 50 36.169 28.786 4.335 1.00 0.00 H new ATOM 0 HE22 GLN C 50 35.066 27.407 4.397 1.00 0.00 H new ATOM 781 N ASN C 51 36.790 31.860 9.782 1.00 0.00 N ATOM 782 CA ASN C 51 36.240 32.577 10.929 1.00 0.00 C ATOM 783 C ASN C 51 34.904 33.226 10.580 1.00 0.00 C ATOM 784 O ASN C 51 34.795 34.451 10.507 1.00 0.00 O ATOM 785 CB ASN C 51 37.227 33.648 11.396 1.00 0.00 C ATOM 786 CG ASN C 51 37.659 34.509 10.215 1.00 0.00 C ATOM 787 OD1 ASN C 51 36.883 34.722 9.285 1.00 0.00 O ATOM 788 ND2 ASN C 51 38.861 35.015 10.196 1.00 0.00 N ATOM 0 H ASN C 51 36.733 32.367 8.899 1.00 0.00 H new ATOM 0 HA ASN C 51 36.074 31.858 11.732 1.00 0.00 H new ATOM 0 HB2 ASN C 51 36.765 34.271 12.161 1.00 0.00 H new ATOM 0 HB3 ASN C 51 38.098 33.177 11.852 1.00 0.00 H new ATOM 0 HD21 ASN C 51 39.160 35.590 9.408 1.00 0.00 H new ATOM 0 HD22 ASN C 51 39.502 34.836 10.969 1.00 0.00 H new ATOM 795 N PRO C 52 33.893 32.427 10.370 1.00 0.00 N ATOM 796 CA PRO C 52 32.532 32.918 10.024 1.00 0.00 C ATOM 797 C PRO C 52 31.813 33.492 11.226 1.00 0.00 C ATOM 798 O PRO C 52 32.422 33.724 12.273 1.00 0.00 O ATOM 799 CB PRO C 52 31.819 31.677 9.500 1.00 0.00 C ATOM 800 CG PRO C 52 32.500 30.530 10.159 1.00 0.00 C ATOM 801 CD PRO C 52 33.933 30.956 10.440 1.00 0.00 C ATOM 0 HA PRO C 52 32.562 33.731 9.298 1.00 0.00 H new ATOM 0 HB2 PRO C 52 30.757 31.699 9.746 1.00 0.00 H new ATOM 0 HB3 PRO C 52 31.893 31.609 8.415 1.00 0.00 H new ATOM 0 HG2 PRO C 52 31.991 30.261 11.084 1.00 0.00 H new ATOM 0 HG3 PRO C 52 32.480 29.650 9.516 1.00 0.00 H new ATOM 0 HD2 PRO C 52 34.266 30.613 11.420 1.00 0.00 H new ATOM 0 HD3 PRO C 52 34.623 30.541 9.706 1.00 0.00 H new ATOM 809 N THR C 53 30.519 33.732 11.062 1.00 0.00 N ATOM 810 CA THR C 53 29.725 34.297 12.142 1.00 0.00 C ATOM 811 C THR C 53 28.826 33.238 12.787 1.00 0.00 C ATOM 812 O THR C 53 28.482 32.239 12.150 1.00 0.00 O ATOM 813 CB THR C 53 28.863 35.449 11.622 1.00 0.00 C ATOM 814 OG1 THR C 53 28.361 35.133 10.334 1.00 0.00 O ATOM 815 CG2 THR C 53 29.701 36.726 11.565 1.00 0.00 C ATOM 0 H THR C 53 30.003 33.547 10.202 1.00 0.00 H new ATOM 0 HA THR C 53 30.416 34.671 12.898 1.00 0.00 H new ATOM 0 HB THR C 53 28.020 35.605 12.296 1.00 0.00 H new ATOM 0 HG1 THR C 53 27.809 35.874 10.007 1.00 0.00 H new ATOM 0 HG21 THR C 53 29.088 37.547 11.195 1.00 0.00 H new ATOM 0 HG22 THR C 53 30.065 36.967 12.564 1.00 0.00 H new ATOM 0 HG23 THR C 53 30.548 36.576 10.896 1.00 0.00 H new ATOM 823 N PRO C 54 28.424 33.431 14.027 1.00 0.00 N ATOM 824 CA PRO C 54 27.528 32.462 14.733 1.00 0.00 C ATOM 825 C PRO C 54 26.271 32.138 13.921 1.00 0.00 C ATOM 826 O PRO C 54 25.786 31.007 13.931 1.00 0.00 O ATOM 827 CB PRO C 54 27.143 33.207 16.015 1.00 0.00 C ATOM 828 CG PRO C 54 28.252 34.166 16.262 1.00 0.00 C ATOM 829 CD PRO C 54 28.780 34.572 14.906 1.00 0.00 C ATOM 0 HA PRO C 54 28.020 31.505 14.904 1.00 0.00 H new ATOM 0 HB2 PRO C 54 26.193 33.727 15.897 1.00 0.00 H new ATOM 0 HB3 PRO C 54 27.027 32.517 16.851 1.00 0.00 H new ATOM 0 HG2 PRO C 54 27.897 35.035 16.816 1.00 0.00 H new ATOM 0 HG3 PRO C 54 29.037 33.705 16.862 1.00 0.00 H new ATOM 0 HD2 PRO C 54 28.323 35.500 14.561 1.00 0.00 H new ATOM 0 HD3 PRO C 54 29.857 34.737 14.930 1.00 0.00 H new ATOM 837 N GLU C 55 25.739 33.140 13.228 1.00 0.00 N ATOM 838 CA GLU C 55 24.527 32.944 12.432 1.00 0.00 C ATOM 839 C GLU C 55 24.785 31.959 11.296 1.00 0.00 C ATOM 840 O GLU C 55 23.944 31.120 10.974 1.00 0.00 O ATOM 841 CB GLU C 55 24.082 34.282 11.834 1.00 0.00 C ATOM 842 CG GLU C 55 23.792 35.255 12.964 1.00 0.00 C ATOM 843 CD GLU C 55 23.200 36.553 12.413 1.00 0.00 C ATOM 844 OE1 GLU C 55 23.645 36.986 11.363 1.00 0.00 O ATOM 845 OE2 GLU C 55 22.309 37.093 13.049 1.00 0.00 O1- ATOM 0 H GLU C 55 26.120 34.086 13.199 1.00 0.00 H new ATOM 0 HA GLU C 55 23.749 32.546 13.083 1.00 0.00 H new ATOM 0 HB2 GLU C 55 24.860 34.681 11.183 1.00 0.00 H new ATOM 0 HB3 GLU C 55 23.193 34.143 11.219 1.00 0.00 H new ATOM 0 HG2 GLU C 55 23.097 34.803 13.672 1.00 0.00 H new ATOM 0 HG3 GLU C 55 24.710 35.470 13.511 1.00 0.00 H new ATOM 852 N GLU C 56 25.954 32.077 10.694 1.00 0.00 N ATOM 853 CA GLU C 56 26.331 31.197 9.576 1.00 0.00 C ATOM 854 C GLU C 56 26.462 29.758 10.055 1.00 0.00 C ATOM 855 O GLU C 56 26.032 28.818 9.386 1.00 0.00 O ATOM 856 CB GLU C 56 27.664 31.644 8.971 1.00 0.00 C ATOM 857 CG GLU C 56 27.500 33.038 8.380 1.00 0.00 C ATOM 858 CD GLU C 56 26.659 32.985 7.106 1.00 0.00 C ATOM 859 OE1 GLU C 56 26.432 31.893 6.611 1.00 0.00 O ATOM 860 OE2 GLU C 56 26.259 34.041 6.640 1.00 0.00 O1- ATOM 0 H GLU C 56 26.662 32.765 10.950 1.00 0.00 H new ATOM 0 HA GLU C 56 25.549 31.259 8.819 1.00 0.00 H new ATOM 0 HB2 GLU C 56 28.441 31.649 9.735 1.00 0.00 H new ATOM 0 HB3 GLU C 56 27.980 30.943 8.199 1.00 0.00 H new ATOM 0 HG2 GLU C 56 27.025 33.695 9.109 1.00 0.00 H new ATOM 0 HG3 GLU C 56 28.479 33.463 8.159 1.00 0.00 H new ATOM 867 N LEU C 57 27.054 29.602 11.223 1.00 0.00 N ATOM 868 CA LEU C 57 27.239 28.271 11.807 1.00 0.00 C ATOM 869 C LEU C 57 25.898 27.606 12.063 1.00 0.00 C ATOM 870 O LEU C 57 25.737 26.403 11.858 1.00 0.00 O ATOM 871 CB LEU C 57 28.023 28.368 13.121 1.00 0.00 C ATOM 872 CG LEU C 57 29.514 28.541 12.823 1.00 0.00 C ATOM 873 CD1 LEU C 57 30.182 29.287 13.980 1.00 0.00 C ATOM 874 CD2 LEU C 57 30.169 27.158 12.689 1.00 0.00 C ATOM 0 H LEU C 57 27.416 30.369 11.790 1.00 0.00 H new ATOM 0 HA LEU C 57 27.803 27.666 11.097 1.00 0.00 H new ATOM 0 HB2 LEU C 57 27.660 29.210 13.710 1.00 0.00 H new ATOM 0 HB3 LEU C 57 27.864 27.470 13.717 1.00 0.00 H new ATOM 0 HG LEU C 57 29.633 29.104 11.898 1.00 0.00 H new ATOM 0 HD11 LEU C 57 31.244 29.411 13.768 1.00 0.00 H new ATOM 0 HD12 LEU C 57 29.719 30.267 14.097 1.00 0.00 H new ATOM 0 HD13 LEU C 57 30.059 28.716 14.900 1.00 0.00 H new ATOM 0 HD21 LEU C 57 31.231 27.278 12.477 1.00 0.00 H new ATOM 0 HD22 LEU C 57 30.045 26.605 13.620 1.00 0.00 H new ATOM 0 HD23 LEU C 57 29.696 26.609 11.875 1.00 0.00 H new ATOM 886 N GLN C 58 24.941 28.394 12.518 1.00 0.00 N ATOM 887 CA GLN C 58 23.612 27.861 12.809 1.00 0.00 C ATOM 888 C GLN C 58 22.949 27.345 11.531 1.00 0.00 C ATOM 889 O GLN C 58 22.315 26.291 11.526 1.00 0.00 O ATOM 890 CB GLN C 58 22.735 28.953 13.427 1.00 0.00 C ATOM 891 CG GLN C 58 21.433 28.344 13.957 1.00 0.00 C ATOM 892 CD GLN C 58 21.731 27.430 15.142 1.00 0.00 C ATOM 893 OE1 GLN C 58 22.424 27.834 16.076 1.00 0.00 O ATOM 894 NE2 GLN C 58 21.245 26.220 15.168 1.00 0.00 N ATOM 0 H GLN C 58 25.051 29.393 12.694 1.00 0.00 H new ATOM 0 HA GLN C 58 23.720 27.035 13.512 1.00 0.00 H new ATOM 0 HB2 GLN C 58 23.272 29.446 14.238 1.00 0.00 H new ATOM 0 HB3 GLN C 58 22.512 29.716 12.682 1.00 0.00 H new ATOM 0 HG2 GLN C 58 20.748 29.136 14.261 1.00 0.00 H new ATOM 0 HG3 GLN C 58 20.937 27.780 13.167 1.00 0.00 H new ATOM 0 HE21 GLN C 58 20.671 25.884 14.395 1.00 0.00 H new ATOM 0 HE22 GLN C 58 21.439 25.609 15.962 1.00 0.00 H new ATOM 903 N GLU C 59 23.099 28.103 10.449 1.00 0.00 N ATOM 904 CA GLU C 59 22.513 27.718 9.167 1.00 0.00 C ATOM 905 C GLU C 59 23.154 26.438 8.642 1.00 0.00 C ATOM 906 O GLU C 59 22.478 25.584 8.067 1.00 0.00 O ATOM 907 CB GLU C 59 22.698 28.843 8.148 1.00 0.00 C ATOM 908 CG GLU C 59 21.829 30.037 8.546 1.00 0.00 C ATOM 909 CD GLU C 59 22.099 31.211 7.612 1.00 0.00 C ATOM 910 OE1 GLU C 59 23.039 31.123 6.840 1.00 0.00 O ATOM 911 OE2 GLU C 59 21.364 32.182 7.685 1.00 0.00 O1- ATOM 0 H GLU C 59 23.617 28.981 10.432 1.00 0.00 H new ATOM 0 HA GLU C 59 21.449 27.538 9.318 1.00 0.00 H new ATOM 0 HB2 GLU C 59 23.746 29.140 8.104 1.00 0.00 H new ATOM 0 HB3 GLU C 59 22.423 28.495 7.152 1.00 0.00 H new ATOM 0 HG2 GLU C 59 20.775 29.761 8.502 1.00 0.00 H new ATOM 0 HG3 GLU C 59 22.041 30.324 9.576 1.00 0.00 H new ATOM 918 N MET C 60 24.464 26.313 8.838 1.00 0.00 N ATOM 919 CA MET C 60 25.189 25.134 8.376 1.00 0.00 C ATOM 920 C MET C 60 24.654 23.875 9.049 1.00 0.00 C ATOM 921 O MET C 60 24.468 22.843 8.403 1.00 0.00 O ATOM 922 CB MET C 60 26.679 25.288 8.693 1.00 0.00 C ATOM 923 CG MET C 60 27.300 26.335 7.769 1.00 0.00 C ATOM 924 SD MET C 60 27.380 25.673 6.087 1.00 0.00 S ATOM 925 CE MET C 60 28.101 27.133 5.299 1.00 0.00 C ATOM 0 H MET C 60 25.041 27.009 9.310 1.00 0.00 H new ATOM 0 HA MET C 60 25.049 25.042 7.299 1.00 0.00 H new ATOM 0 HB2 MET C 60 26.810 25.585 9.734 1.00 0.00 H new ATOM 0 HB3 MET C 60 27.187 24.332 8.568 1.00 0.00 H new ATOM 0 HG2 MET C 60 26.706 27.249 7.785 1.00 0.00 H new ATOM 0 HG3 MET C 60 28.299 26.598 8.117 1.00 0.00 H new ATOM 0 HE1 MET C 60 28.239 26.941 4.235 1.00 0.00 H new ATOM 0 HE2 MET C 60 27.433 27.984 5.431 1.00 0.00 H new ATOM 0 HE3 MET C 60 29.065 27.354 5.756 1.00 0.00 H new ATOM 935 N ILE C 61 24.400 23.974 10.350 1.00 0.00 N ATOM 936 CA ILE C 61 23.875 22.842 11.104 1.00 0.00 C ATOM 937 C ILE C 61 22.472 22.487 10.632 1.00 0.00 C ATOM 938 O ILE C 61 22.125 21.317 10.529 1.00 0.00 O ATOM 939 CB ILE C 61 23.845 23.153 12.592 1.00 0.00 C ATOM 940 CG1 ILE C 61 25.280 23.291 13.096 1.00 0.00 C ATOM 941 CG2 ILE C 61 23.144 22.002 13.331 1.00 0.00 C ATOM 942 CD1 ILE C 61 25.257 23.823 14.522 1.00 0.00 C ATOM 0 H ILE C 61 24.548 24.820 10.900 1.00 0.00 H new ATOM 0 HA ILE C 61 24.536 21.992 10.932 1.00 0.00 H new ATOM 0 HB ILE C 61 23.304 24.082 12.773 1.00 0.00 H new ATOM 0 HG12 ILE C 61 25.785 22.326 13.063 1.00 0.00 H new ATOM 0 HG13 ILE C 61 25.842 23.967 12.451 1.00 0.00 H new ATOM 0 HG21 ILE C 61 23.118 22.218 14.399 1.00 0.00 H new ATOM 0 HG22 ILE C 61 22.125 21.897 12.958 1.00 0.00 H new ATOM 0 HG23 ILE C 61 23.690 21.074 13.161 1.00 0.00 H new ATOM 0 HD11 ILE C 61 26.278 23.924 14.889 1.00 0.00 H new ATOM 0 HD12 ILE C 61 24.767 24.796 14.539 1.00 0.00 H new ATOM 0 HD13 ILE C 61 24.709 23.130 15.160 1.00 0.00 H new ATOM 954 N ASP C 62 21.662 23.507 10.360 1.00 0.00 N ATOM 955 CA ASP C 62 20.289 23.284 9.914 1.00 0.00 C ATOM 956 C ASP C 62 20.257 22.479 8.615 1.00 0.00 C ATOM 957 O ASP C 62 19.467 21.545 8.474 1.00 0.00 O ATOM 958 CB ASP C 62 19.598 24.629 9.686 1.00 0.00 C ATOM 959 CG ASP C 62 18.118 24.415 9.384 1.00 0.00 C ATOM 960 OD1 ASP C 62 17.681 23.278 9.439 1.00 0.00 O ATOM 961 OD2 ASP C 62 17.446 25.391 9.096 1.00 0.00 O1- ATOM 0 H ASP C 62 21.929 24.488 10.440 1.00 0.00 H new ATOM 0 HA ASP C 62 19.768 22.720 10.688 1.00 0.00 H new ATOM 0 HB2 ASP C 62 19.709 25.258 10.569 1.00 0.00 H new ATOM 0 HB3 ASP C 62 20.073 25.155 8.858 1.00 0.00 H new ATOM 966 N GLU C 63 21.114 22.848 7.670 1.00 0.00 N ATOM 967 CA GLU C 63 21.168 22.149 6.390 1.00 0.00 C ATOM 968 C GLU C 63 21.606 20.697 6.582 1.00 0.00 C ATOM 969 O GLU C 63 21.078 19.790 5.941 1.00 0.00 O ATOM 970 CB GLU C 63 22.148 22.856 5.455 1.00 0.00 C ATOM 971 CG GLU C 63 21.572 24.213 5.045 1.00 0.00 C ATOM 972 CD GLU C 63 22.578 24.967 4.182 1.00 0.00 C ATOM 973 OE1 GLU C 63 23.635 24.418 3.920 1.00 0.00 O ATOM 974 OE2 GLU C 63 22.278 26.087 3.801 1.00 0.00 O1- ATOM 0 H GLU C 63 21.775 23.619 7.763 1.00 0.00 H new ATOM 0 HA GLU C 63 20.170 22.158 5.952 1.00 0.00 H new ATOM 0 HB2 GLU C 63 23.108 22.992 5.952 1.00 0.00 H new ATOM 0 HB3 GLU C 63 22.330 22.244 4.571 1.00 0.00 H new ATOM 0 HG2 GLU C 63 20.642 24.071 4.494 1.00 0.00 H new ATOM 0 HG3 GLU C 63 21.331 24.798 5.932 1.00 0.00 H new ATOM 981 N VAL C 64 22.580 20.489 7.462 1.00 0.00 N ATOM 982 CA VAL C 64 23.087 19.145 7.729 1.00 0.00 C ATOM 983 C VAL C 64 22.179 18.397 8.707 1.00 0.00 C ATOM 984 O VAL C 64 22.048 17.173 8.641 1.00 0.00 O ATOM 985 CB VAL C 64 24.500 19.229 8.303 1.00 0.00 C ATOM 986 CG1 VAL C 64 25.008 17.819 8.609 1.00 0.00 C ATOM 987 CG2 VAL C 64 25.425 19.896 7.282 1.00 0.00 C ATOM 0 H VAL C 64 23.033 21.228 8.000 1.00 0.00 H new ATOM 0 HA VAL C 64 23.104 18.595 6.788 1.00 0.00 H new ATOM 0 HB VAL C 64 24.488 19.818 9.220 1.00 0.00 H new ATOM 0 HG11 VAL C 64 26.016 17.877 9.019 1.00 0.00 H new ATOM 0 HG12 VAL C 64 24.348 17.344 9.335 1.00 0.00 H new ATOM 0 HG13 VAL C 64 25.022 17.230 7.692 1.00 0.00 H new ATOM 0 HG21 VAL C 64 26.434 19.957 7.690 1.00 0.00 H new ATOM 0 HG22 VAL C 64 25.439 19.307 6.365 1.00 0.00 H new ATOM 0 HG23 VAL C 64 25.061 20.900 7.063 1.00 0.00 H new ATOM 997 N ASP C 65 21.568 19.142 9.619 1.00 0.00 N ATOM 998 CA ASP C 65 20.682 18.556 10.618 1.00 0.00 C ATOM 999 C ASP C 65 19.330 18.204 10.009 1.00 0.00 C ATOM 1000 O ASP C 65 18.609 19.074 9.520 1.00 0.00 O ATOM 1001 CB ASP C 65 20.477 19.534 11.775 1.00 0.00 C ATOM 1002 CG ASP C 65 19.617 18.891 12.854 1.00 0.00 C ATOM 1003 OD1 ASP C 65 19.123 17.800 12.617 1.00 0.00 O ATOM 1004 OD2 ASP C 65 19.467 19.495 13.902 1.00 0.00 O1- ATOM 0 H ASP C 65 21.670 20.155 9.688 1.00 0.00 H new ATOM 0 HA ASP C 65 21.148 17.643 10.987 1.00 0.00 H new ATOM 0 HB2 ASP C 65 21.441 19.824 12.192 1.00 0.00 H new ATOM 0 HB3 ASP C 65 20.000 20.444 11.412 1.00 0.00 H new ATOM 1009 N GLU C 66 19.002 16.919 10.037 1.00 0.00 N ATOM 1010 CA GLU C 66 17.733 16.455 9.486 1.00 0.00 C ATOM 1011 C GLU C 66 16.558 16.972 10.312 1.00 0.00 C ATOM 1012 O GLU C 66 15.531 17.372 9.764 1.00 0.00 O ATOM 1013 CB GLU C 66 17.705 14.927 9.462 1.00 0.00 C ATOM 1014 CG GLU C 66 18.708 14.416 8.427 1.00 0.00 C ATOM 1015 CD GLU C 66 18.800 12.895 8.497 1.00 0.00 C ATOM 1016 OE1 GLU C 66 18.034 12.310 9.246 1.00 0.00 O ATOM 1017 OE2 GLU C 66 19.638 12.340 7.807 1.00 0.00 O1- ATOM 0 H GLU C 66 19.590 16.184 10.431 1.00 0.00 H new ATOM 0 HA GLU C 66 17.641 16.841 8.471 1.00 0.00 H new ATOM 0 HB2 GLU C 66 17.950 14.532 10.448 1.00 0.00 H new ATOM 0 HB3 GLU C 66 16.703 14.575 9.218 1.00 0.00 H new ATOM 0 HG2 GLU C 66 18.401 14.724 7.428 1.00 0.00 H new ATOM 0 HG3 GLU C 66 19.688 14.857 8.610 1.00 0.00 H new ATOM 1024 N ASP C 67 16.716 16.957 11.634 1.00 0.00 N ATOM 1025 CA ASP C 67 15.657 17.426 12.524 1.00 0.00 C ATOM 1026 C ASP C 67 15.693 18.940 12.667 1.00 0.00 C ATOM 1027 O ASP C 67 14.746 19.547 13.164 1.00 0.00 O ATOM 1028 CB ASP C 67 15.807 16.764 13.895 1.00 0.00 C ATOM 1029 CG ASP C 67 17.236 16.924 14.397 1.00 0.00 C ATOM 1030 OD1 ASP C 67 17.690 18.050 14.479 1.00 0.00 O ATOM 1031 OD2 ASP C 67 17.861 15.914 14.682 1.00 0.00 O1- ATOM 0 H ASP C 67 17.557 16.629 12.108 1.00 0.00 H new ATOM 0 HA ASP C 67 14.695 17.152 12.091 1.00 0.00 H new ATOM 0 HB2 ASP C 67 15.111 17.214 14.603 1.00 0.00 H new ATOM 0 HB3 ASP C 67 15.553 15.706 13.827 1.00 0.00 H new ATOM 1036 N GLY C 68 16.778 19.546 12.213 1.00 0.00 N ATOM 1037 CA GLY C 68 16.908 20.993 12.281 1.00 0.00 C ATOM 1038 C GLY C 68 16.986 21.457 13.729 1.00 0.00 C ATOM 1039 O GLY C 68 16.676 22.606 14.042 1.00 0.00 O ATOM 0 H GLY C 68 17.575 19.064 11.797 1.00 0.00 H new ATOM 0 HA2 GLY C 68 17.802 21.309 11.744 1.00 0.00 H new ATOM 0 HA3 GLY C 68 16.057 21.463 11.788 1.00 0.00 H new ATOM 1043 N SER C 69 17.392 20.551 14.608 1.00 0.00 N ATOM 1044 CA SER C 69 17.497 20.875 16.028 1.00 0.00 C ATOM 1045 C SER C 69 18.492 22.012 16.253 1.00 0.00 C ATOM 1046 O SER C 69 18.438 22.704 17.271 1.00 0.00 O ATOM 1047 CB SER C 69 17.944 19.647 16.819 1.00 0.00 C ATOM 1048 OG SER C 69 19.240 19.255 16.385 1.00 0.00 O ATOM 0 H SER C 69 17.652 19.594 14.368 1.00 0.00 H new ATOM 0 HA SER C 69 16.514 21.192 16.375 1.00 0.00 H new ATOM 0 HB2 SER C 69 17.958 19.872 17.885 1.00 0.00 H new ATOM 0 HB3 SER C 69 17.237 18.830 16.675 1.00 0.00 H new ATOM 0 HG SER C 69 19.202 18.987 15.443 1.00 0.00 H new ATOM 1054 N GLY C 70 19.394 22.201 15.297 1.00 0.00 N ATOM 1055 CA GLY C 70 20.389 23.258 15.401 1.00 0.00 C ATOM 1056 C GLY C 70 21.680 22.731 16.015 1.00 0.00 C ATOM 1057 O GLY C 70 22.697 23.423 16.027 1.00 0.00 O ATOM 0 H GLY C 70 19.456 21.640 14.447 1.00 0.00 H new ATOM 0 HA2 GLY C 70 20.593 23.669 14.412 1.00 0.00 H new ATOM 0 HA3 GLY C 70 19.998 24.073 16.011 1.00 0.00 H new ATOM 1061 N THR C 71 21.632 21.499 16.518 1.00 0.00 N ATOM 1062 CA THR C 71 22.805 20.883 17.130 1.00 0.00 C ATOM 1063 C THR C 71 23.028 19.490 16.560 1.00 0.00 C ATOM 1064 O THR C 71 22.109 18.888 16.004 1.00 0.00 O ATOM 1065 CB THR C 71 22.617 20.791 18.647 1.00 0.00 C ATOM 1066 OG1 THR C 71 21.519 19.938 18.938 1.00 0.00 O ATOM 1067 CG2 THR C 71 22.343 22.185 19.211 1.00 0.00 C ATOM 0 H THR C 71 20.798 20.911 16.514 1.00 0.00 H new ATOM 0 HA THR C 71 23.676 21.501 16.910 1.00 0.00 H new ATOM 0 HB THR C 71 23.521 20.386 19.101 1.00 0.00 H new ATOM 0 HG1 THR C 71 21.400 19.878 19.909 1.00 0.00 H new ATOM 0 HG21 THR C 71 22.209 22.121 20.291 1.00 0.00 H new ATOM 0 HG22 THR C 71 23.186 22.840 18.988 1.00 0.00 H new ATOM 0 HG23 THR C 71 21.439 22.590 18.757 1.00 0.00 H new ATOM 1075 N VAL C 72 24.250 18.984 16.701 1.00 0.00 N ATOM 1076 CA VAL C 72 24.578 17.660 16.193 1.00 0.00 C ATOM 1077 C VAL C 72 24.836 16.700 17.354 1.00 0.00 C ATOM 1078 O VAL C 72 25.678 16.960 18.220 1.00 0.00 O ATOM 1079 CB VAL C 72 25.822 17.737 15.300 1.00 0.00 C ATOM 1080 CG1 VAL C 72 26.127 16.358 14.711 1.00 0.00 C ATOM 1081 CG2 VAL C 72 25.583 18.736 14.167 1.00 0.00 C ATOM 0 H VAL C 72 25.022 19.468 17.159 1.00 0.00 H new ATOM 0 HA VAL C 72 23.737 17.290 15.607 1.00 0.00 H new ATOM 0 HB VAL C 72 26.670 18.066 15.900 1.00 0.00 H new ATOM 0 HG11 VAL C 72 27.012 16.420 14.078 1.00 0.00 H new ATOM 0 HG12 VAL C 72 26.308 15.649 15.519 1.00 0.00 H new ATOM 0 HG13 VAL C 72 25.278 16.021 14.116 1.00 0.00 H new ATOM 0 HG21 VAL C 72 26.469 18.788 13.535 1.00 0.00 H new ATOM 0 HG22 VAL C 72 24.730 18.412 13.570 1.00 0.00 H new ATOM 0 HG23 VAL C 72 25.379 19.721 14.587 1.00 0.00 H new ATOM 1091 N ASP C 73 24.100 15.597 17.365 1.00 0.00 N ATOM 1092 CA ASP C 73 24.242 14.591 18.415 1.00 0.00 C ATOM 1093 C ASP C 73 25.258 13.522 18.005 1.00 0.00 C ATOM 1094 O ASP C 73 25.846 13.596 16.927 1.00 0.00 O ATOM 1095 CB ASP C 73 22.891 13.931 18.693 1.00 0.00 C ATOM 1096 CG ASP C 73 21.967 14.925 19.386 1.00 0.00 C ATOM 1097 OD1 ASP C 73 22.465 15.935 19.857 1.00 0.00 O ATOM 1098 OD2 ASP C 73 20.777 14.665 19.434 1.00 0.00 O1- ATOM 0 H ASP C 73 23.398 15.374 16.660 1.00 0.00 H new ATOM 0 HA ASP C 73 24.598 15.087 19.318 1.00 0.00 H new ATOM 0 HB2 ASP C 73 22.442 13.592 17.759 1.00 0.00 H new ATOM 0 HB3 ASP C 73 23.028 13.049 19.319 1.00 0.00 H new ATOM 1103 N PHE C 74 25.457 12.531 18.873 1.00 0.00 N ATOM 1104 CA PHE C 74 26.403 11.449 18.593 1.00 0.00 C ATOM 1105 C PHE C 74 26.031 10.699 17.314 1.00 0.00 C ATOM 1106 O PHE C 74 26.867 10.500 16.433 1.00 0.00 O ATOM 1107 CB PHE C 74 26.404 10.468 19.762 1.00 0.00 C ATOM 1108 CG PHE C 74 27.205 9.249 19.386 1.00 0.00 C ATOM 1109 CD1 PHE C 74 26.568 8.171 18.761 1.00 0.00 C ATOM 1110 CD2 PHE C 74 28.577 9.197 19.648 1.00 0.00 C ATOM 1111 CE1 PHE C 74 27.303 7.039 18.399 1.00 0.00 C ATOM 1112 CE2 PHE C 74 29.312 8.063 19.286 1.00 0.00 C ATOM 1113 CZ PHE C 74 28.674 6.981 18.664 1.00 0.00 C ATOM 0 H PHE C 74 24.980 12.454 19.771 1.00 0.00 H new ATOM 0 HA PHE C 74 27.392 11.888 18.459 1.00 0.00 H new ATOM 0 HB2 PHE C 74 26.831 10.939 20.647 1.00 0.00 H new ATOM 0 HB3 PHE C 74 25.383 10.183 20.014 1.00 0.00 H new ATOM 0 HD1 PHE C 74 25.508 8.214 18.558 1.00 0.00 H new ATOM 0 HD2 PHE C 74 29.068 10.030 20.129 1.00 0.00 H new ATOM 0 HE1 PHE C 74 26.811 6.209 17.914 1.00 0.00 H new ATOM 0 HE2 PHE C 74 30.372 8.021 19.486 1.00 0.00 H new ATOM 0 HZ PHE C 74 29.241 6.104 18.390 1.00 0.00 H new ATOM 1123 N ASP C 75 24.775 10.291 17.216 1.00 0.00 N ATOM 1124 CA ASP C 75 24.300 9.571 16.040 1.00 0.00 C ATOM 1125 C ASP C 75 24.269 10.488 14.821 1.00 0.00 C ATOM 1126 O ASP C 75 24.603 10.074 13.713 1.00 0.00 O ATOM 1127 CB ASP C 75 22.897 9.014 16.307 1.00 0.00 C ATOM 1128 CG ASP C 75 21.940 10.142 16.690 1.00 0.00 C ATOM 1129 OD1 ASP C 75 22.409 11.250 16.890 1.00 0.00 O ATOM 1130 OD2 ASP C 75 20.752 9.879 16.779 1.00 0.00 O1- ATOM 0 H ASP C 75 24.066 10.445 17.933 1.00 0.00 H new ATOM 0 HA ASP C 75 24.986 8.749 15.836 1.00 0.00 H new ATOM 0 HB2 ASP C 75 22.528 8.501 15.419 1.00 0.00 H new ATOM 0 HB3 ASP C 75 22.938 8.276 17.108 1.00 0.00 H new ATOM 1135 N GLU C 76 23.866 11.733 15.030 1.00 0.00 N ATOM 1136 CA GLU C 76 23.801 12.690 13.938 1.00 0.00 C ATOM 1137 C GLU C 76 25.197 12.969 13.386 1.00 0.00 C ATOM 1138 O GLU C 76 25.384 13.109 12.176 1.00 0.00 O ATOM 1139 CB GLU C 76 23.182 13.995 14.435 1.00 0.00 C ATOM 1140 CG GLU C 76 21.694 13.779 14.731 1.00 0.00 C ATOM 1141 CD GLU C 76 21.111 15.006 15.427 1.00 0.00 C ATOM 1142 OE1 GLU C 76 21.884 15.864 15.820 1.00 0.00 O ATOM 1143 OE2 GLU C 76 19.900 15.067 15.561 1.00 0.00 O1- ATOM 0 H GLU C 76 23.582 12.101 15.938 1.00 0.00 H new ATOM 0 HA GLU C 76 23.185 12.269 13.143 1.00 0.00 H new ATOM 0 HB2 GLU C 76 23.696 14.334 15.334 1.00 0.00 H new ATOM 0 HB3 GLU C 76 23.304 14.776 13.685 1.00 0.00 H new ATOM 0 HG2 GLU C 76 21.155 13.588 13.803 1.00 0.00 H new ATOM 0 HG3 GLU C 76 21.565 12.899 15.361 1.00 0.00 H new ATOM 1150 N PHE C 77 26.177 13.056 14.283 1.00 0.00 N ATOM 1151 CA PHE C 77 27.547 13.328 13.872 1.00 0.00 C ATOM 1152 C PHE C 77 28.050 12.195 12.989 1.00 0.00 C ATOM 1153 O PHE C 77 28.719 12.424 11.981 1.00 0.00 O ATOM 1154 CB PHE C 77 28.452 13.459 15.103 1.00 0.00 C ATOM 1155 CG PHE C 77 29.759 14.099 14.699 1.00 0.00 C ATOM 1156 CD1 PHE C 77 30.807 13.317 14.206 1.00 0.00 C ATOM 1157 CD2 PHE C 77 29.920 15.482 14.821 1.00 0.00 C ATOM 1158 CE1 PHE C 77 32.015 13.915 13.837 1.00 0.00 C ATOM 1159 CE2 PHE C 77 31.129 16.083 14.452 1.00 0.00 C ATOM 1160 CZ PHE C 77 32.178 15.298 13.962 1.00 0.00 C ATOM 0 H PHE C 77 26.048 12.943 15.288 1.00 0.00 H new ATOM 0 HA PHE C 77 27.569 14.264 13.313 1.00 0.00 H new ATOM 0 HB2 PHE C 77 27.960 14.061 15.867 1.00 0.00 H new ATOM 0 HB3 PHE C 77 28.635 12.477 15.540 1.00 0.00 H new ATOM 0 HD1 PHE C 77 30.683 12.248 14.110 1.00 0.00 H new ATOM 0 HD2 PHE C 77 29.110 16.088 15.201 1.00 0.00 H new ATOM 0 HE1 PHE C 77 32.823 13.309 13.455 1.00 0.00 H new ATOM 0 HE2 PHE C 77 31.252 17.152 14.546 1.00 0.00 H new ATOM 0 HZ PHE C 77 33.113 15.760 13.681 1.00 0.00 H new ATOM 1170 N LEU C 78 27.722 10.965 13.373 1.00 0.00 N ATOM 1171 CA LEU C 78 28.158 9.805 12.601 1.00 0.00 C ATOM 1172 C LEU C 78 27.559 9.855 11.202 1.00 0.00 C ATOM 1173 O LEU C 78 28.207 9.490 10.221 1.00 0.00 O ATOM 1174 CB LEU C 78 27.738 8.504 13.301 1.00 0.00 C ATOM 1175 CG LEU C 78 28.404 7.293 12.633 1.00 0.00 C ATOM 1176 CD1 LEU C 78 29.835 7.100 13.162 1.00 0.00 C ATOM 1177 CD2 LEU C 78 27.574 6.043 12.934 1.00 0.00 C ATOM 0 H LEU C 78 27.165 10.747 14.199 1.00 0.00 H new ATOM 0 HA LEU C 78 29.245 9.827 12.527 1.00 0.00 H new ATOM 0 HB2 LEU C 78 28.017 8.545 14.354 1.00 0.00 H new ATOM 0 HB3 LEU C 78 26.654 8.397 13.262 1.00 0.00 H new ATOM 0 HG LEU C 78 28.454 7.462 11.557 1.00 0.00 H new ATOM 0 HD11 LEU C 78 30.289 6.237 12.676 1.00 0.00 H new ATOM 0 HD12 LEU C 78 30.426 7.990 12.946 1.00 0.00 H new ATOM 0 HD13 LEU C 78 29.806 6.936 14.239 1.00 0.00 H new ATOM 0 HD21 LEU C 78 28.038 5.176 12.464 1.00 0.00 H new ATOM 0 HD22 LEU C 78 27.526 5.889 14.012 1.00 0.00 H new ATOM 0 HD23 LEU C 78 26.566 6.172 12.541 1.00 0.00 H new ATOM 1189 N VAL C 79 26.314 10.296 11.123 1.00 0.00 N ATOM 1190 CA VAL C 79 25.623 10.382 9.846 1.00 0.00 C ATOM 1191 C VAL C 79 26.294 11.406 8.941 1.00 0.00 C ATOM 1192 O VAL C 79 26.421 11.198 7.736 1.00 0.00 O ATOM 1193 CB VAL C 79 24.152 10.766 10.065 1.00 0.00 C ATOM 1194 CG1 VAL C 79 23.455 10.976 8.716 1.00 0.00 C ATOM 1195 CG2 VAL C 79 23.434 9.660 10.845 1.00 0.00 C ATOM 0 H VAL C 79 25.762 10.599 11.925 1.00 0.00 H new ATOM 0 HA VAL C 79 25.670 9.405 9.364 1.00 0.00 H new ATOM 0 HB VAL C 79 24.114 11.694 10.636 1.00 0.00 H new ATOM 0 HG11 VAL C 79 22.413 11.248 8.883 1.00 0.00 H new ATOM 0 HG12 VAL C 79 23.955 11.775 8.169 1.00 0.00 H new ATOM 0 HG13 VAL C 79 23.501 10.055 8.135 1.00 0.00 H new ATOM 0 HG21 VAL C 79 22.391 9.940 10.996 1.00 0.00 H new ATOM 0 HG22 VAL C 79 23.482 8.728 10.282 1.00 0.00 H new ATOM 0 HG23 VAL C 79 23.917 9.524 11.812 1.00 0.00 H new ATOM 1205 N MET C 80 26.713 12.514 9.529 1.00 0.00 N ATOM 1206 CA MET C 80 27.356 13.572 8.771 1.00 0.00 C ATOM 1207 C MET C 80 28.665 13.084 8.175 1.00 0.00 C ATOM 1208 O MET C 80 29.005 13.414 7.041 1.00 0.00 O ATOM 1209 CB MET C 80 27.622 14.777 9.676 1.00 0.00 C ATOM 1210 CG MET C 80 28.260 15.907 8.858 1.00 0.00 C ATOM 1211 SD MET C 80 30.055 15.681 8.795 1.00 0.00 S ATOM 1212 CE MET C 80 30.437 16.370 10.426 1.00 0.00 C ATOM 0 H MET C 80 26.619 12.703 10.527 1.00 0.00 H new ATOM 0 HA MET C 80 26.690 13.867 7.960 1.00 0.00 H new ATOM 0 HB2 MET C 80 26.689 15.121 10.124 1.00 0.00 H new ATOM 0 HB3 MET C 80 28.282 14.490 10.495 1.00 0.00 H new ATOM 0 HG2 MET C 80 27.850 15.914 7.848 1.00 0.00 H new ATOM 0 HG3 MET C 80 28.021 16.872 9.306 1.00 0.00 H new ATOM 0 HE1 MET C 80 30.888 17.355 10.308 1.00 0.00 H new ATOM 0 HE2 MET C 80 29.519 16.458 11.008 1.00 0.00 H new ATOM 0 HE3 MET C 80 31.134 15.712 10.945 1.00 0.00 H new ATOM 1222 N MET C 81 29.398 12.302 8.955 1.00 0.00 N ATOM 1223 CA MET C 81 30.690 11.777 8.497 1.00 0.00 C ATOM 1224 C MET C 81 30.502 10.892 7.265 1.00 0.00 C ATOM 1225 O MET C 81 31.172 11.071 6.246 1.00 0.00 O ATOM 1226 CB MET C 81 31.336 10.961 9.608 1.00 0.00 C ATOM 1227 CG MET C 81 32.793 10.678 9.237 1.00 0.00 C ATOM 1228 SD MET C 81 33.477 9.432 10.356 1.00 0.00 S ATOM 1229 CE MET C 81 35.097 9.298 9.565 1.00 0.00 C ATOM 0 H MET C 81 29.131 12.016 9.897 1.00 0.00 H new ATOM 0 HA MET C 81 31.333 12.618 8.235 1.00 0.00 H new ATOM 0 HB2 MET C 81 31.287 11.505 10.551 1.00 0.00 H new ATOM 0 HB3 MET C 81 30.795 10.025 9.751 1.00 0.00 H new ATOM 0 HG2 MET C 81 32.854 10.328 8.207 1.00 0.00 H new ATOM 0 HG3 MET C 81 33.378 11.595 9.297 1.00 0.00 H new ATOM 0 HE1 MET C 81 35.704 8.567 10.100 1.00 0.00 H new ATOM 0 HE2 MET C 81 34.971 8.978 8.531 1.00 0.00 H new ATOM 0 HE3 MET C 81 35.594 10.268 9.587 1.00 0.00 H new ATOM 1239 N VAL C 82 29.575 9.945 7.364 1.00 0.00 N ATOM 1240 CA VAL C 82 29.291 9.044 6.251 1.00 0.00 C ATOM 1241 C VAL C 82 28.648 9.803 5.093 1.00 0.00 C ATOM 1242 O VAL C 82 28.986 9.570 3.931 1.00 0.00 O ATOM 1243 CB VAL C 82 28.374 7.908 6.707 1.00 0.00 C ATOM 1244 CG1 VAL C 82 27.918 7.101 5.489 1.00 0.00 C ATOM 1245 CG2 VAL C 82 29.142 6.992 7.664 1.00 0.00 C ATOM 0 H VAL C 82 29.010 9.781 8.198 1.00 0.00 H new ATOM 0 HA VAL C 82 30.234 8.620 5.906 1.00 0.00 H new ATOM 0 HB VAL C 82 27.504 8.323 7.215 1.00 0.00 H new ATOM 0 HG11 VAL C 82 27.264 6.291 5.813 1.00 0.00 H new ATOM 0 HG12 VAL C 82 27.376 7.752 4.803 1.00 0.00 H new ATOM 0 HG13 VAL C 82 28.788 6.684 4.982 1.00 0.00 H new ATOM 0 HG21 VAL C 82 28.492 6.181 7.991 1.00 0.00 H new ATOM 0 HG22 VAL C 82 30.010 6.577 7.152 1.00 0.00 H new ATOM 0 HG23 VAL C 82 29.471 7.565 8.531 1.00 0.00 H new ATOM 1255 N ARG C 83 27.719 10.710 5.416 1.00 0.00 N ATOM 1256 CA ARG C 83 27.044 11.490 4.401 1.00 0.00 C ATOM 1257 C ARG C 83 28.050 12.322 3.612 1.00 0.00 C ATOM 1258 O ARG C 83 27.963 12.426 2.387 1.00 0.00 O ATOM 1259 CB ARG C 83 26.013 12.402 5.060 1.00 0.00 C ATOM 1260 CG ARG C 83 25.392 13.310 4.005 1.00 0.00 C ATOM 1261 CD ARG C 83 24.110 13.914 4.560 1.00 0.00 C ATOM 1262 NE ARG C 83 23.656 15.008 3.700 1.00 0.00 N ATOM 1263 CZ ARG C 83 23.087 14.774 2.520 1.00 0.00 C ATOM 1264 NH1 ARG C 83 22.927 13.550 2.103 1.00 0.00 N ATOM 1265 NH2 ARG C 83 22.697 15.775 1.774 1.00 0.00 N1+ ATOM 0 H ARG C 83 27.426 10.913 6.372 1.00 0.00 H new ATOM 0 HA ARG C 83 26.540 10.813 3.711 1.00 0.00 H new ATOM 0 HB2 ARG C 83 25.239 11.805 5.543 1.00 0.00 H new ATOM 0 HB3 ARG C 83 26.486 13.001 5.838 1.00 0.00 H new ATOM 0 HG2 ARG C 83 26.091 14.100 3.730 1.00 0.00 H new ATOM 0 HG3 ARG C 83 25.179 12.743 3.099 1.00 0.00 H new ATOM 0 HD2 ARG C 83 23.337 13.148 4.626 1.00 0.00 H new ATOM 0 HD3 ARG C 83 24.281 14.283 5.571 1.00 0.00 H new ATOM 0 HE ARG C 83 23.779 15.971 4.012 1.00 0.00 H new ATOM 0 HH11 ARG C 83 23.238 12.769 2.681 1.00 0.00 H new ATOM 0 HH12 ARG C 83 22.491 13.372 1.198 1.00 0.00 H new ATOM 0 HH21 ARG C 83 22.829 16.733 2.097 1.00 0.00 H new ATOM 0 HH22 ARG C 83 22.261 15.597 0.869 1.00 0.00 H new ATOM 1279 N CYS C 84 29.008 12.914 4.324 1.00 0.00 N ATOM 1280 CA CYS C 84 30.030 13.734 3.683 1.00 0.00 C ATOM 1281 C CYS C 84 30.831 12.902 2.686 1.00 0.00 C ATOM 1282 O CYS C 84 31.107 13.345 1.572 1.00 0.00 O ATOM 1283 CB CYS C 84 30.973 14.328 4.732 1.00 0.00 C ATOM 1284 SG CYS C 84 32.203 15.370 3.909 1.00 0.00 S ATOM 0 H CYS C 84 29.096 12.841 5.338 1.00 0.00 H new ATOM 0 HA CYS C 84 29.533 14.545 3.151 1.00 0.00 H new ATOM 0 HB2 CYS C 84 30.407 14.915 5.455 1.00 0.00 H new ATOM 0 HB3 CYS C 84 31.468 13.530 5.286 1.00 0.00 H new ATOM 0 HG CYS C 84 32.595 16.304 4.724 1.00 0.00 H new ATOM 1290 N MET C 85 31.213 11.696 3.097 1.00 0.00 N ATOM 1291 CA MET C 85 31.989 10.812 2.230 1.00 0.00 C ATOM 1292 C MET C 85 31.197 10.421 0.983 1.00 0.00 C ATOM 1293 O MET C 85 31.608 10.706 -0.142 1.00 0.00 O ATOM 1294 CB MET C 85 32.373 9.547 2.996 1.00 0.00 C ATOM 1295 CG MET C 85 33.752 9.727 3.631 1.00 0.00 C ATOM 1296 SD MET C 85 35.017 9.689 2.337 1.00 0.00 S ATOM 1297 CE MET C 85 36.440 9.418 3.420 1.00 0.00 C ATOM 0 H MET C 85 31.001 11.310 4.017 1.00 0.00 H new ATOM 0 HA MET C 85 32.884 11.349 1.917 1.00 0.00 H new ATOM 0 HB2 MET C 85 31.631 9.338 3.767 1.00 0.00 H new ATOM 0 HB3 MET C 85 32.382 8.691 2.322 1.00 0.00 H new ATOM 0 HG2 MET C 85 33.796 10.673 4.170 1.00 0.00 H new ATOM 0 HG3 MET C 85 33.936 8.936 4.359 1.00 0.00 H new ATOM 0 HE1 MET C 85 37.348 9.361 2.820 1.00 0.00 H new ATOM 0 HE2 MET C 85 36.523 10.244 4.126 1.00 0.00 H new ATOM 0 HE3 MET C 85 36.308 8.485 3.968 1.00 0.00 H new ATOM 1307 N LYS C 86 30.060 9.768 1.192 1.00 0.00 N ATOM 1308 CA LYS C 86 29.217 9.344 0.081 1.00 0.00 C ATOM 1309 C LYS C 86 28.663 10.554 -0.668 1.00 0.00 C ATOM 1310 O LYS C 86 28.062 10.414 -1.733 1.00 0.00 O ATOM 1311 CB LYS C 86 28.065 8.479 0.595 1.00 0.00 C ATOM 1312 CG LYS C 86 27.208 9.304 1.554 1.00 0.00 C ATOM 1313 CD LYS C 86 25.938 9.805 0.851 1.00 0.00 C ATOM 1314 CE LYS C 86 24.871 8.710 0.876 1.00 0.00 C ATOM 1315 NZ LYS C 86 23.634 9.215 0.222 1.00 0.00 N1+ ATOM 0 H LYS C 86 29.702 9.522 2.115 1.00 0.00 H new ATOM 0 HA LYS C 86 29.826 8.758 -0.607 1.00 0.00 H new ATOM 0 HB2 LYS C 86 27.460 8.124 -0.239 1.00 0.00 H new ATOM 0 HB3 LYS C 86 28.455 7.597 1.103 1.00 0.00 H new ATOM 0 HG2 LYS C 86 26.936 8.699 2.419 1.00 0.00 H new ATOM 0 HG3 LYS C 86 27.783 10.152 1.926 1.00 0.00 H new ATOM 0 HD2 LYS C 86 25.565 10.701 1.347 1.00 0.00 H new ATOM 0 HD3 LYS C 86 26.165 10.082 -0.179 1.00 0.00 H new ATOM 0 HE2 LYS C 86 25.233 7.821 0.359 1.00 0.00 H new ATOM 0 HE3 LYS C 86 24.659 8.416 1.904 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 22.906 8.473 0.237 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 23.287 10.051 0.734 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 23.843 9.475 -0.763 1.00 0.00 H new ATOM 1508 N ALA I 152 39.576 17.957 3.672 1.00 0.00 N ATOM 1509 CA ALA I 152 39.904 18.943 4.695 1.00 0.00 C ATOM 1510 C ALA I 152 39.284 18.560 6.033 1.00 0.00 C ATOM 1511 O ALA I 152 39.916 18.688 7.082 1.00 0.00 O ATOM 1512 CB ALA I 152 39.396 20.323 4.273 1.00 0.00 C ATOM 0 HA ALA I 152 40.988 18.972 4.807 1.00 0.00 H new ATOM 0 HB1 ALA I 152 39.645 21.053 5.043 1.00 0.00 H new ATOM 0 HB2 ALA I 152 39.866 20.612 3.333 1.00 0.00 H new ATOM 0 HB3 ALA I 152 38.314 20.288 4.142 1.00 0.00 H new ATOM 1518 N MET I 153 38.041 18.089 5.992 1.00 0.00 N ATOM 1519 CA MET I 153 37.348 17.690 7.211 1.00 0.00 C ATOM 1520 C MET I 153 38.058 16.519 7.880 1.00 0.00 C ATOM 1521 O MET I 153 38.189 16.476 9.103 1.00 0.00 O ATOM 1522 CB MET I 153 35.907 17.290 6.887 1.00 0.00 C ATOM 1523 CG MET I 153 35.105 18.531 6.494 1.00 0.00 C ATOM 1524 SD MET I 153 33.402 18.054 6.111 1.00 0.00 S ATOM 1525 CE MET I 153 32.774 19.715 5.763 1.00 0.00 C ATOM 0 H MET I 153 37.498 17.975 5.136 1.00 0.00 H new ATOM 0 HA MET I 153 37.349 18.539 7.895 1.00 0.00 H new ATOM 0 HB2 MET I 153 35.895 16.564 6.074 1.00 0.00 H new ATOM 0 HB3 MET I 153 35.450 16.808 7.751 1.00 0.00 H new ATOM 0 HG2 MET I 153 35.116 19.257 7.307 1.00 0.00 H new ATOM 0 HG3 MET I 153 35.562 19.013 5.630 1.00 0.00 H new ATOM 0 HE1 MET I 153 31.718 19.657 5.499 1.00 0.00 H new ATOM 0 HE2 MET I 153 32.893 20.342 6.647 1.00 0.00 H new ATOM 0 HE3 MET I 153 33.332 20.149 4.933 1.00 0.00 H new ATOM 1535 N MET I 154 38.512 15.567 7.075 1.00 0.00 N ATOM 1536 CA MET I 154 39.200 14.398 7.608 1.00 0.00 C ATOM 1537 C MET I 154 40.497 14.815 8.300 1.00 0.00 C ATOM 1538 O MET I 154 40.832 14.306 9.369 1.00 0.00 O ATOM 1539 CB MET I 154 39.524 13.434 6.466 1.00 0.00 C ATOM 1540 CG MET I 154 38.232 12.873 5.858 1.00 0.00 C ATOM 1541 SD MET I 154 37.364 11.846 7.070 1.00 0.00 S ATOM 1542 CE MET I 154 35.962 12.956 7.350 1.00 0.00 C ATOM 0 H MET I 154 38.418 15.580 6.059 1.00 0.00 H new ATOM 0 HA MET I 154 38.552 13.908 8.335 1.00 0.00 H new ATOM 0 HB2 MET I 154 40.101 13.950 5.698 1.00 0.00 H new ATOM 0 HB3 MET I 154 40.144 12.617 6.836 1.00 0.00 H new ATOM 0 HG2 MET I 154 37.588 13.691 5.536 1.00 0.00 H new ATOM 0 HG3 MET I 154 38.465 12.283 4.971 1.00 0.00 H new ATOM 0 HE1 MET I 154 35.342 12.563 8.155 1.00 0.00 H new ATOM 0 HE2 MET I 154 36.330 13.944 7.625 1.00 0.00 H new ATOM 0 HE3 MET I 154 35.369 13.030 6.438 1.00 0.00 H new ATOM 1552 N GLN I 155 41.222 15.747 7.686 1.00 0.00 N ATOM 1553 CA GLN I 155 42.477 16.220 8.264 1.00 0.00 C ATOM 1554 C GLN I 155 42.221 16.936 9.589 1.00 0.00 C ATOM 1555 O GLN I 155 42.962 16.764 10.555 1.00 0.00 O ATOM 1556 CB GLN I 155 43.175 17.174 7.290 1.00 0.00 C ATOM 1557 CG GLN I 155 43.701 16.386 6.090 1.00 0.00 C ATOM 1558 CD GLN I 155 44.234 17.344 5.030 1.00 0.00 C ATOM 1559 OE1 GLN I 155 43.826 18.503 4.979 1.00 0.00 O ATOM 1560 NE2 GLN I 155 45.123 16.923 4.173 1.00 0.00 N ATOM 0 H GLN I 155 40.967 16.185 6.801 1.00 0.00 H new ATOM 0 HA GLN I 155 43.118 15.358 8.449 1.00 0.00 H new ATOM 0 HB2 GLN I 155 42.478 17.943 6.956 1.00 0.00 H new ATOM 0 HB3 GLN I 155 43.997 17.685 7.791 1.00 0.00 H new ATOM 0 HG2 GLN I 155 44.492 15.707 6.409 1.00 0.00 H new ATOM 0 HG3 GLN I 155 42.904 15.772 5.670 1.00 0.00 H new ATOM 0 HE21 GLN I 155 45.459 15.961 4.218 1.00 0.00 H new ATOM 0 HE22 GLN I 155 45.482 17.556 3.458 1.00 0.00 H new ATOM 1569 N ALA I 156 41.160 17.730 9.628 1.00 0.00 N ATOM 1570 CA ALA I 156 40.810 18.462 10.841 1.00 0.00 C ATOM 1571 C ALA I 156 40.504 17.494 11.979 1.00 0.00 C ATOM 1572 O ALA I 156 40.840 17.751 13.135 1.00 0.00 O ATOM 1573 CB ALA I 156 39.601 19.361 10.580 1.00 0.00 C ATOM 0 H ALA I 156 40.530 17.884 8.841 1.00 0.00 H new ATOM 0 HA ALA I 156 41.659 19.082 11.130 1.00 0.00 H new ATOM 0 HB1 ALA I 156 39.347 19.903 11.491 1.00 0.00 H new ATOM 0 HB2 ALA I 156 39.840 20.072 9.789 1.00 0.00 H new ATOM 0 HB3 ALA I 156 38.752 18.750 10.273 1.00 0.00 H new