USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 755 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 69 SER OG : rot 66:sc= -0.687! USER MOD Set 1.2: A 71 ASN : amide:sc= 2.2 K(o=1.5,f=-3.8) USER MOD Set 2.1: A 47 TYR OH : rot 143:sc= 1.22 USER MOD Set 2.2: A 101 TYR OH : rot -122:sc= 1.16 USER MOD Set 3.1: A 18 SER OG : rot -42:sc= 1.18 USER MOD Set 3.2: A 59 LYS NZ :NH3+ 151:sc= 1.22 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -3.89! C(o=-3.9!,f=-2.5!) USER MOD Single : A 19 GLN : amide:sc= -0.807 K(o=-0.81,f=-0.0047) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.241 K(o=0.24,f=-4.6!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -55:sc= 0.176 USER MOD Single : A 27 LYS NZ :NH3+ -131:sc= 0.396 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -151:sc= -0.219 (180deg=-1.5!) USER MOD Single : A 41 THR OG1 : rot 116:sc= 1.74 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0372 USER MOD Single : A 44 LYS NZ :NH3+ -139:sc= 1.22 (180deg=0.363) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -35:sc= 0.26 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 59:sc= -0.209 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -84:sc= 1.27 USER MOD Single : A 67 LYS NZ :NH3+ 149:sc= 1.18 (180deg=0.821) USER MOD Single : A 68 MET CE :methyl 142:sc= -0.112 (180deg=-0.566) USER MOD Single : A 70 LYS NZ :NH3+ 159:sc= 1.19 (180deg=-0.0264!) USER MOD Single : A 76 SER OG : rot 180:sc= -0.203 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -66:sc= 0.817 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0.202 X(o=0.2,f=-0.23) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -1.01 K(o=-1,f=-0.014) USER MOD Single : A 95 THR OG1 : rot 72:sc= 0.601 USER MOD Single : A 96 LYS NZ :NH3+ 172:sc= 1.06 (180deg=0.723) USER MOD Single : A 100 LYS NZ :NH3+ -164:sc= -0.0523 (180deg=-0.315) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N LEU A 9 -14.510 2.114 8.597 1.00 0.00 N ATOM 136 CA LEU A 9 -13.273 1.924 7.887 1.00 0.00 C ATOM 137 C LEU A 9 -13.508 0.941 6.769 1.00 0.00 C ATOM 138 O LEU A 9 -14.358 0.041 6.888 1.00 0.00 O ATOM 139 CB LEU A 9 -12.048 1.524 8.817 1.00 0.00 C ATOM 140 CG LEU A 9 -12.050 0.183 9.639 1.00 0.00 C ATOM 141 CD1 LEU A 9 -13.219 0.069 10.596 1.00 0.00 C ATOM 142 CD2 LEU A 9 -11.914 -1.060 8.758 1.00 0.00 C ATOM 0 HA LEU A 9 -12.969 2.883 7.468 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.161 1.507 8.184 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.914 2.335 9.533 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.152 0.230 10.255 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.160 -0.879 11.131 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -13.186 0.892 11.310 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.153 0.112 10.036 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.922 -1.952 9.384 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.747 -1.102 8.056 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.976 -1.013 8.205 1.00 0.00 H new ATOM 154 N GLU A 10 -12.834 1.123 5.693 1.00 0.00 N ATOM 155 CA GLU A 10 -12.984 0.261 4.564 1.00 0.00 C ATOM 156 C GLU A 10 -11.986 -0.882 4.529 1.00 0.00 C ATOM 157 O GLU A 10 -10.777 -0.694 4.677 1.00 0.00 O ATOM 158 CB GLU A 10 -13.050 1.027 3.219 1.00 0.00 C ATOM 159 CG GLU A 10 -12.025 2.146 3.013 1.00 0.00 C ATOM 160 CD GLU A 10 -12.332 3.374 3.844 1.00 0.00 C ATOM 161 OE1 GLU A 10 -13.188 4.178 3.433 1.00 0.00 O ATOM 162 OE2 GLU A 10 -11.764 3.533 4.917 1.00 0.00 O ATOM 0 H GLU A 10 -12.158 1.876 5.563 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.959 -0.206 4.701 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.933 0.305 2.411 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.047 1.457 3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.032 1.777 3.270 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.000 2.422 1.959 1.00 0.00 H new ATOM 169 N GLU A 11 -12.515 -2.070 4.379 1.00 0.00 N ATOM 170 CA GLU A 11 -11.758 -3.227 4.220 1.00 0.00 C ATOM 171 C GLU A 11 -11.604 -3.525 2.762 1.00 0.00 C ATOM 172 O GLU A 11 -12.531 -3.383 1.980 1.00 0.00 O ATOM 173 CB GLU A 11 -12.426 -4.391 4.932 1.00 0.00 C ATOM 174 CG GLU A 11 -11.831 -5.740 4.590 1.00 0.00 C ATOM 175 CD GLU A 11 -12.422 -6.849 5.405 1.00 0.00 C ATOM 176 OE1 GLU A 11 -11.926 -7.118 6.499 1.00 0.00 O ATOM 177 OE2 GLU A 11 -13.426 -7.461 4.960 1.00 0.00 O ATOM 0 H GLU A 11 -13.522 -2.235 4.368 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.772 -3.077 4.659 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.355 -4.235 6.008 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.487 -4.398 4.681 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.990 -5.946 3.532 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.753 -5.710 4.750 1.00 0.00 H new ATOM 184 N PHE A 12 -10.447 -3.862 2.413 1.00 0.00 N ATOM 185 CA PHE A 12 -10.127 -4.269 1.115 1.00 0.00 C ATOM 186 C PHE A 12 -9.529 -5.611 1.169 1.00 0.00 C ATOM 187 O PHE A 12 -8.807 -5.891 2.065 1.00 0.00 O ATOM 188 CB PHE A 12 -9.110 -3.345 0.552 1.00 0.00 C ATOM 189 CG PHE A 12 -9.592 -1.959 0.274 1.00 0.00 C ATOM 190 CD1 PHE A 12 -10.306 -1.677 -0.875 1.00 0.00 C ATOM 191 CD2 PHE A 12 -9.334 -0.932 1.167 1.00 0.00 C ATOM 192 CE1 PHE A 12 -10.754 -0.398 -1.128 1.00 0.00 C ATOM 193 CE2 PHE A 12 -9.778 0.346 0.917 1.00 0.00 C ATOM 194 CZ PHE A 12 -10.490 0.613 -0.230 1.00 0.00 C ATOM 0 H PHE A 12 -9.651 -3.865 3.051 1.00 0.00 H new ATOM 0 HA PHE A 12 -11.028 -4.270 0.502 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.271 -3.288 1.246 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.728 -3.772 -0.375 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.515 -2.466 -1.582 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.778 -1.137 2.070 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.311 -0.189 -2.029 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.568 1.139 1.620 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.842 1.615 -0.426 1.00 0.00 H new ATOM 204 N THR A 13 -9.825 -6.452 0.244 1.00 0.00 N ATOM 205 CA THR A 13 -9.120 -7.684 0.185 1.00 0.00 C ATOM 206 C THR A 13 -8.068 -7.525 -0.911 1.00 0.00 C ATOM 207 O THR A 13 -8.327 -6.856 -1.892 1.00 0.00 O ATOM 208 CB THR A 13 -10.051 -8.852 -0.073 1.00 0.00 C ATOM 209 OG1 THR A 13 -11.155 -8.765 0.846 1.00 0.00 O ATOM 210 CG2 THR A 13 -9.325 -10.148 0.187 1.00 0.00 C ATOM 0 H THR A 13 -10.538 -6.315 -0.472 1.00 0.00 H new ATOM 0 HA THR A 13 -8.644 -7.910 1.139 1.00 0.00 H new ATOM 0 HB THR A 13 -10.397 -8.822 -1.106 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.769 -9.513 0.692 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.997 -10.985 0.001 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.462 -10.221 -0.475 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.990 -10.176 1.224 1.00 0.00 H new ATOM 218 N ALA A 14 -6.914 -8.126 -0.740 1.00 0.00 N ATOM 219 CA ALA A 14 -5.733 -7.827 -1.578 1.00 0.00 C ATOM 220 C ALA A 14 -5.934 -7.976 -3.083 1.00 0.00 C ATOM 221 O ALA A 14 -5.552 -7.083 -3.845 1.00 0.00 O ATOM 222 CB ALA A 14 -4.501 -8.564 -1.099 1.00 0.00 C ATOM 0 H ALA A 14 -6.748 -8.835 -0.026 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.575 -6.758 -1.438 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.656 -8.317 -1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.276 -8.269 -0.074 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.682 -9.638 -1.136 1.00 0.00 H new ATOM 228 N GLU A 15 -6.542 -9.058 -3.514 1.00 0.00 N ATOM 229 CA GLU A 15 -6.770 -9.267 -4.953 1.00 0.00 C ATOM 230 C GLU A 15 -7.749 -8.226 -5.489 1.00 0.00 C ATOM 231 O GLU A 15 -7.650 -7.771 -6.625 1.00 0.00 O ATOM 232 CB GLU A 15 -7.295 -10.663 -5.203 1.00 0.00 C ATOM 233 CG GLU A 15 -6.394 -11.743 -4.653 1.00 0.00 C ATOM 234 CD GLU A 15 -6.934 -13.113 -4.891 1.00 0.00 C ATOM 235 OE1 GLU A 15 -7.872 -13.521 -4.171 1.00 0.00 O ATOM 236 OE2 GLU A 15 -6.419 -13.814 -5.798 1.00 0.00 O ATOM 0 H GLU A 15 -6.888 -9.805 -2.911 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.821 -9.154 -5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.283 -10.759 -4.753 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.417 -10.812 -6.276 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.409 -11.659 -5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.260 -11.590 -3.582 1.00 0.00 H new ATOM 243 N GLN A 16 -8.660 -7.839 -4.638 1.00 0.00 N ATOM 244 CA GLN A 16 -9.657 -6.846 -4.943 1.00 0.00 C ATOM 245 C GLN A 16 -9.064 -5.439 -4.915 1.00 0.00 C ATOM 246 O GLN A 16 -9.446 -4.580 -5.707 1.00 0.00 O ATOM 247 CB GLN A 16 -10.803 -7.001 -3.973 1.00 0.00 C ATOM 248 CG GLN A 16 -11.601 -8.250 -4.254 1.00 0.00 C ATOM 249 CD GLN A 16 -12.313 -8.758 -3.064 1.00 0.00 C ATOM 250 OE1 GLN A 16 -13.433 -8.381 -2.769 1.00 0.00 O ATOM 251 NE2 GLN A 16 -11.688 -9.668 -2.404 1.00 0.00 N ATOM 0 H GLN A 16 -8.732 -8.213 -3.692 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.030 -6.996 -5.956 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.416 -7.037 -2.954 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.455 -6.130 -4.036 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.324 -8.043 -5.043 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.933 -9.025 -4.630 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.750 -9.951 -2.689 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -12.130 -10.106 -1.596 1.00 0.00 H new ATOM 260 N LEU A 17 -8.098 -5.230 -4.018 1.00 0.00 N ATOM 261 CA LEU A 17 -7.402 -3.950 -3.872 1.00 0.00 C ATOM 262 C LEU A 17 -6.592 -3.634 -5.113 1.00 0.00 C ATOM 263 O LEU A 17 -6.399 -2.470 -5.458 1.00 0.00 O ATOM 264 CB LEU A 17 -6.435 -3.971 -2.680 1.00 0.00 C ATOM 265 CG LEU A 17 -5.675 -2.654 -2.445 1.00 0.00 C ATOM 266 CD1 LEU A 17 -6.596 -1.566 -1.974 1.00 0.00 C ATOM 267 CD2 LEU A 17 -4.518 -2.818 -1.501 1.00 0.00 C ATOM 0 H LEU A 17 -7.775 -5.948 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.170 -3.193 -3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.996 -4.216 -1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.710 -4.771 -2.832 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.263 -2.360 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.027 -0.650 -1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.366 -1.391 -2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.065 -1.866 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.016 -1.859 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.883 -3.171 -0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.814 -3.543 -1.910 1.00 0.00 H new ATOM 279 N SER A 18 -6.172 -4.684 -5.810 1.00 0.00 N ATOM 280 CA SER A 18 -5.284 -4.584 -6.967 1.00 0.00 C ATOM 281 C SER A 18 -5.958 -3.856 -8.153 1.00 0.00 C ATOM 282 O SER A 18 -5.367 -3.703 -9.222 1.00 0.00 O ATOM 283 CB SER A 18 -4.849 -5.999 -7.385 1.00 0.00 C ATOM 284 OG SER A 18 -3.742 -5.978 -8.282 1.00 0.00 O ATOM 0 H SER A 18 -6.441 -5.642 -5.586 1.00 0.00 H new ATOM 0 HA SER A 18 -4.414 -3.992 -6.684 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.584 -6.573 -6.497 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.688 -6.511 -7.857 1.00 0.00 H new ATOM 0 HG SER A 18 -3.867 -5.261 -8.939 1.00 0.00 H new ATOM 290 N GLN A 19 -7.167 -3.401 -7.944 1.00 0.00 N ATOM 291 CA GLN A 19 -7.942 -2.751 -8.971 1.00 0.00 C ATOM 292 C GLN A 19 -8.113 -1.271 -8.639 1.00 0.00 C ATOM 293 O GLN A 19 -8.691 -0.516 -9.412 1.00 0.00 O ATOM 294 CB GLN A 19 -9.297 -3.420 -9.049 1.00 0.00 C ATOM 295 CG GLN A 19 -9.206 -4.922 -9.208 1.00 0.00 C ATOM 296 CD GLN A 19 -10.553 -5.586 -9.217 1.00 0.00 C ATOM 297 OE1 GLN A 19 -11.174 -5.771 -10.264 1.00 0.00 O ATOM 298 NE2 GLN A 19 -11.023 -5.935 -8.054 1.00 0.00 N ATOM 0 H GLN A 19 -7.647 -3.472 -7.047 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.429 -2.835 -9.929 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.863 -3.189 -8.146 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.854 -3.004 -9.889 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.685 -5.154 -10.137 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.608 -5.334 -8.395 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.476 -5.764 -7.210 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.938 -6.380 -7.986 1.00 0.00 H new ATOM 307 N TYR A 20 -7.596 -0.871 -7.490 1.00 0.00 N ATOM 308 CA TYR A 20 -7.673 0.508 -7.009 1.00 0.00 C ATOM 309 C TYR A 20 -6.415 1.267 -7.368 1.00 0.00 C ATOM 310 O TYR A 20 -5.930 2.115 -6.621 1.00 0.00 O ATOM 311 CB TYR A 20 -7.930 0.519 -5.502 1.00 0.00 C ATOM 312 CG TYR A 20 -9.338 0.099 -5.148 1.00 0.00 C ATOM 313 CD1 TYR A 20 -9.659 -1.226 -4.924 1.00 0.00 C ATOM 314 CD2 TYR A 20 -10.351 1.044 -5.052 1.00 0.00 C ATOM 315 CE1 TYR A 20 -10.947 -1.607 -4.609 1.00 0.00 C ATOM 316 CE2 TYR A 20 -11.641 0.678 -4.735 1.00 0.00 C ATOM 317 CZ TYR A 20 -11.935 -0.651 -4.513 1.00 0.00 C ATOM 318 OH TYR A 20 -13.222 -1.029 -4.192 1.00 0.00 O ATOM 0 H TYR A 20 -7.104 -1.498 -6.853 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.507 1.013 -7.497 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -7.222 -0.149 -5.012 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -7.745 1.520 -5.113 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -8.887 -1.978 -4.997 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.124 2.085 -5.229 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -11.180 -2.648 -4.439 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -12.416 1.426 -4.661 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.798 -0.237 -4.163 1.00 0.00 H new ATOM 328 N ASN A 21 -5.933 0.986 -8.554 1.00 0.00 N ATOM 329 CA ASN A 21 -4.747 1.611 -9.101 1.00 0.00 C ATOM 330 C ASN A 21 -5.113 2.919 -9.820 1.00 0.00 C ATOM 331 O ASN A 21 -4.251 3.614 -10.377 1.00 0.00 O ATOM 332 CB ASN A 21 -3.994 0.625 -10.022 1.00 0.00 C ATOM 333 CG ASN A 21 -4.814 0.128 -11.218 1.00 0.00 C ATOM 334 OD1 ASN A 21 -6.041 0.056 -11.162 1.00 0.00 O ATOM 335 ND2 ASN A 21 -4.149 -0.254 -12.278 1.00 0.00 N ATOM 0 H ASN A 21 -6.360 0.304 -9.180 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.071 1.871 -8.287 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.090 1.109 -10.392 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.676 -0.235 -9.432 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.648 -0.623 -13.087 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.132 -0.182 -12.295 1.00 0.00 H new ATOM 342 N GLY A 22 -6.415 3.219 -9.799 1.00 0.00 N ATOM 343 CA GLY A 22 -6.964 4.476 -10.288 1.00 0.00 C ATOM 344 C GLY A 22 -6.695 4.789 -11.738 1.00 0.00 C ATOM 345 O GLY A 22 -6.508 5.952 -12.086 1.00 0.00 O ATOM 0 H GLY A 22 -7.124 2.582 -9.435 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.043 4.465 -10.132 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.563 5.287 -9.680 1.00 0.00 H new ATOM 349 N THR A 23 -6.686 3.795 -12.586 1.00 0.00 N ATOM 350 CA THR A 23 -6.461 4.058 -13.984 1.00 0.00 C ATOM 351 C THR A 23 -7.758 3.898 -14.742 1.00 0.00 C ATOM 352 O THR A 23 -7.990 4.554 -15.759 1.00 0.00 O ATOM 353 CB THR A 23 -5.348 3.161 -14.584 1.00 0.00 C ATOM 354 OG1 THR A 23 -5.069 3.523 -15.944 1.00 0.00 O ATOM 355 CG2 THR A 23 -5.710 1.694 -14.514 1.00 0.00 C ATOM 0 H THR A 23 -6.829 2.815 -12.342 1.00 0.00 H new ATOM 0 HA THR A 23 -6.109 5.085 -14.081 1.00 0.00 H new ATOM 0 HB THR A 23 -4.455 3.324 -13.981 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.363 2.943 -16.298 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.904 1.099 -14.945 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.858 1.405 -13.473 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.629 1.519 -15.074 1.00 0.00 H new ATOM 363 N ASP A 24 -8.626 3.066 -14.218 1.00 0.00 N ATOM 364 CA ASP A 24 -9.876 2.816 -14.850 1.00 0.00 C ATOM 365 C ASP A 24 -10.937 3.583 -14.136 1.00 0.00 C ATOM 366 O ASP A 24 -10.939 3.611 -12.911 1.00 0.00 O ATOM 367 CB ASP A 24 -10.260 1.334 -14.792 1.00 0.00 C ATOM 368 CG ASP A 24 -9.281 0.405 -15.449 1.00 0.00 C ATOM 369 OD1 ASP A 24 -9.401 0.160 -16.665 1.00 0.00 O ATOM 370 OD2 ASP A 24 -8.388 -0.111 -14.752 1.00 0.00 O ATOM 0 H ASP A 24 -8.477 2.553 -13.349 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.785 3.117 -15.894 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.372 1.042 -13.748 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.234 1.207 -15.264 1.00 0.00 H new ATOM 375 N GLU A 25 -11.798 4.262 -14.892 1.00 0.00 N ATOM 376 CA GLU A 25 -13.014 4.928 -14.374 1.00 0.00 C ATOM 377 C GLU A 25 -12.706 6.054 -13.380 1.00 0.00 C ATOM 378 O GLU A 25 -13.628 6.642 -12.792 1.00 0.00 O ATOM 379 CB GLU A 25 -13.921 3.889 -13.719 1.00 0.00 C ATOM 380 CG GLU A 25 -14.271 2.723 -14.628 1.00 0.00 C ATOM 381 CD GLU A 25 -15.055 3.130 -15.847 1.00 0.00 C ATOM 382 OE1 GLU A 25 -16.291 3.160 -15.774 1.00 0.00 O ATOM 383 OE2 GLU A 25 -14.446 3.431 -16.891 1.00 0.00 O ATOM 0 H GLU A 25 -11.677 4.373 -15.899 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.515 5.391 -15.224 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.432 3.506 -12.823 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.841 4.375 -13.396 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.352 2.230 -14.944 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.847 1.991 -14.062 1.00 0.00 H new ATOM 390 N SER A 26 -11.417 6.345 -13.223 1.00 0.00 N ATOM 391 CA SER A 26 -10.910 7.347 -12.305 1.00 0.00 C ATOM 392 C SER A 26 -11.283 6.954 -10.845 1.00 0.00 C ATOM 393 O SER A 26 -11.662 7.796 -10.019 1.00 0.00 O ATOM 394 CB SER A 26 -11.449 8.738 -12.709 1.00 0.00 C ATOM 395 OG SER A 26 -10.857 9.788 -11.950 1.00 0.00 O ATOM 0 H SER A 26 -10.680 5.874 -13.748 1.00 0.00 H new ATOM 0 HA SER A 26 -9.822 7.397 -12.355 1.00 0.00 H new ATOM 0 HB2 SER A 26 -11.257 8.906 -13.769 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.530 8.760 -12.574 1.00 0.00 H new ATOM 0 HG SER A 26 -10.982 9.611 -10.994 1.00 0.00 H new ATOM 401 N LYS A 27 -11.146 5.647 -10.550 1.00 0.00 N ATOM 402 CA LYS A 27 -11.393 5.087 -9.202 1.00 0.00 C ATOM 403 C LYS A 27 -10.476 5.750 -8.155 1.00 0.00 C ATOM 404 O LYS A 27 -9.450 6.352 -8.505 1.00 0.00 O ATOM 405 CB LYS A 27 -11.057 3.588 -9.187 1.00 0.00 C ATOM 406 CG LYS A 27 -11.808 2.732 -10.168 1.00 0.00 C ATOM 407 CD LYS A 27 -11.235 1.333 -10.149 1.00 0.00 C ATOM 408 CE LYS A 27 -11.817 0.452 -11.226 1.00 0.00 C ATOM 409 NZ LYS A 27 -11.153 -0.868 -11.238 1.00 0.00 N ATOM 0 H LYS A 27 -10.862 4.948 -11.237 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.442 5.266 -8.965 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.990 3.474 -9.378 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.244 3.205 -8.184 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.867 2.707 -9.911 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.733 3.155 -11.170 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.153 1.386 -10.273 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.422 0.881 -9.175 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.887 0.325 -11.060 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.700 0.932 -12.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.871 -1.106 -12.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.310 -0.838 -10.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.811 -1.591 -10.882 1.00 0.00 H new ATOM 423 N PRO A 28 -10.843 5.657 -6.862 1.00 0.00 N ATOM 424 CA PRO A 28 -9.980 6.105 -5.771 1.00 0.00 C ATOM 425 C PRO A 28 -8.721 5.229 -5.707 1.00 0.00 C ATOM 426 O PRO A 28 -8.757 4.040 -6.062 1.00 0.00 O ATOM 427 CB PRO A 28 -10.844 5.911 -4.520 1.00 0.00 C ATOM 428 CG PRO A 28 -11.864 4.898 -4.912 1.00 0.00 C ATOM 429 CD PRO A 28 -12.128 5.121 -6.363 1.00 0.00 C ATOM 0 HA PRO A 28 -9.638 7.134 -5.885 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.246 5.564 -3.677 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.313 6.846 -4.215 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.499 3.887 -4.733 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.776 5.016 -4.327 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.402 4.195 -6.869 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.946 5.824 -6.520 1.00 0.00 H new ATOM 437 N ILE A 29 -7.638 5.797 -5.261 1.00 0.00 N ATOM 438 CA ILE A 29 -6.375 5.115 -5.277 1.00 0.00 C ATOM 439 C ILE A 29 -5.930 4.828 -3.864 1.00 0.00 C ATOM 440 O ILE A 29 -5.869 5.733 -3.017 1.00 0.00 O ATOM 441 CB ILE A 29 -5.301 5.967 -5.957 1.00 0.00 C ATOM 442 CG1 ILE A 29 -5.809 6.468 -7.290 1.00 0.00 C ATOM 443 CG2 ILE A 29 -4.050 5.118 -6.186 1.00 0.00 C ATOM 444 CD1 ILE A 29 -4.868 7.387 -7.959 1.00 0.00 C ATOM 0 H ILE A 29 -7.604 6.742 -4.878 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.504 4.186 -5.832 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.062 6.817 -5.318 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.001 5.616 -7.942 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.761 6.977 -7.141 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.283 5.723 -6.670 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.675 4.756 -5.228 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.298 4.269 -6.823 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.290 7.711 -8.910 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.695 8.256 -7.324 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.923 6.874 -8.138 1.00 0.00 H new ATOM 456 N TYR A 30 -5.600 3.602 -3.611 1.00 0.00 N ATOM 457 CA TYR A 30 -5.198 3.190 -2.303 1.00 0.00 C ATOM 458 C TYR A 30 -3.921 2.408 -2.358 1.00 0.00 C ATOM 459 O TYR A 30 -3.683 1.651 -3.296 1.00 0.00 O ATOM 460 CB TYR A 30 -6.296 2.356 -1.642 1.00 0.00 C ATOM 461 CG TYR A 30 -7.624 3.068 -1.465 1.00 0.00 C ATOM 462 CD1 TYR A 30 -7.832 3.949 -0.412 1.00 0.00 C ATOM 463 CD2 TYR A 30 -8.668 2.857 -2.352 1.00 0.00 C ATOM 464 CE1 TYR A 30 -9.044 4.596 -0.250 1.00 0.00 C ATOM 465 CE2 TYR A 30 -9.877 3.496 -2.195 1.00 0.00 C ATOM 466 CZ TYR A 30 -10.061 4.365 -1.145 1.00 0.00 C ATOM 467 OH TYR A 30 -11.275 5.000 -0.987 1.00 0.00 O ATOM 0 H TYR A 30 -5.601 2.856 -4.307 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.029 4.086 -1.705 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.459 1.459 -2.239 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.943 2.028 -0.664 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.034 4.132 0.292 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.530 2.179 -3.181 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -9.190 5.278 0.574 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.679 3.315 -2.895 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.883 4.727 -1.706 1.00 0.00 H new ATOM 477 N VAL A 31 -3.100 2.623 -1.376 1.00 0.00 N ATOM 478 CA VAL A 31 -1.874 1.889 -1.193 1.00 0.00 C ATOM 479 C VAL A 31 -1.950 1.249 0.155 1.00 0.00 C ATOM 480 O VAL A 31 -2.760 1.664 0.982 1.00 0.00 O ATOM 481 CB VAL A 31 -0.600 2.789 -1.232 1.00 0.00 C ATOM 482 CG1 VAL A 31 -0.392 3.428 -2.579 1.00 0.00 C ATOM 483 CG2 VAL A 31 -0.620 3.844 -0.134 1.00 0.00 C ATOM 0 H VAL A 31 -3.263 3.330 -0.659 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.781 1.173 -2.009 1.00 0.00 H new ATOM 0 HB VAL A 31 0.247 2.127 -1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.507 4.044 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.280 2.652 -3.336 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.252 4.051 -2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.284 4.450 -0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.494 4.483 -0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.664 3.355 0.839 1.00 0.00 H new ATOM 493 N ALA A 32 -1.159 0.272 0.393 1.00 0.00 N ATOM 494 CA ALA A 32 -1.158 -0.337 1.677 1.00 0.00 C ATOM 495 C ALA A 32 0.248 -0.615 2.127 1.00 0.00 C ATOM 496 O ALA A 32 1.156 -0.781 1.300 1.00 0.00 O ATOM 497 CB ALA A 32 -2.010 -1.592 1.682 1.00 0.00 C ATOM 0 H ALA A 32 -0.503 -0.126 -0.279 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.602 0.357 2.391 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.993 -2.039 2.676 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.036 -1.336 1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.614 -2.303 0.957 1.00 0.00 H new ATOM 503 N ILE A 33 0.441 -0.603 3.413 1.00 0.00 N ATOM 504 CA ILE A 33 1.715 -0.915 4.013 1.00 0.00 C ATOM 505 C ILE A 33 1.421 -1.779 5.233 1.00 0.00 C ATOM 506 O ILE A 33 0.828 -1.302 6.175 1.00 0.00 O ATOM 507 CB ILE A 33 2.441 0.400 4.476 1.00 0.00 C ATOM 508 CG1 ILE A 33 2.654 1.373 3.313 1.00 0.00 C ATOM 509 CG2 ILE A 33 3.772 0.090 5.114 1.00 0.00 C ATOM 510 CD1 ILE A 33 3.280 2.685 3.730 1.00 0.00 C ATOM 0 H ILE A 33 -0.289 -0.374 4.088 1.00 0.00 H new ATOM 0 HA ILE A 33 2.361 -1.426 3.299 1.00 0.00 H new ATOM 0 HB ILE A 33 1.789 0.873 5.211 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.289 0.899 2.565 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.694 1.573 2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.252 1.018 5.424 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.618 -0.548 5.984 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.409 -0.425 4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.401 3.324 2.856 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.636 3.181 4.456 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.255 2.496 4.179 1.00 0.00 H new ATOM 522 N LYS A 34 1.807 -3.053 5.195 1.00 0.00 N ATOM 523 CA LYS A 34 1.519 -4.019 6.297 1.00 0.00 C ATOM 524 C LYS A 34 0.029 -4.302 6.436 1.00 0.00 C ATOM 525 O LYS A 34 -0.407 -4.865 7.447 1.00 0.00 O ATOM 526 CB LYS A 34 2.048 -3.575 7.678 1.00 0.00 C ATOM 527 CG LYS A 34 3.530 -3.710 7.925 1.00 0.00 C ATOM 528 CD LYS A 34 3.815 -3.337 9.376 1.00 0.00 C ATOM 529 CE LYS A 34 5.238 -3.642 9.795 1.00 0.00 C ATOM 530 NZ LYS A 34 6.234 -2.911 9.007 1.00 0.00 N ATOM 0 H LYS A 34 2.324 -3.459 4.415 1.00 0.00 H new ATOM 0 HA LYS A 34 2.053 -4.921 5.998 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.775 -2.530 7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.525 -4.151 8.441 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.856 -4.731 7.725 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.087 -3.060 7.250 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.620 -2.274 9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.127 -3.877 10.026 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.362 -3.393 10.849 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.419 -4.712 9.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.114 -3.464 8.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.870 -2.757 8.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.426 -1.993 9.456 1.00 0.00 H new ATOM 544 N GLY A 35 -0.740 -3.957 5.447 1.00 0.00 N ATOM 545 CA GLY A 35 -2.152 -4.170 5.537 1.00 0.00 C ATOM 546 C GLY A 35 -2.937 -2.898 5.777 1.00 0.00 C ATOM 547 O GLY A 35 -4.116 -2.844 5.480 1.00 0.00 O ATOM 0 H GLY A 35 -0.418 -3.531 4.578 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.501 -4.636 4.615 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.355 -4.872 6.346 1.00 0.00 H new ATOM 551 N ARG A 36 -2.306 -1.878 6.328 1.00 0.00 N ATOM 552 CA ARG A 36 -2.994 -0.620 6.519 1.00 0.00 C ATOM 553 C ARG A 36 -3.052 0.150 5.236 1.00 0.00 C ATOM 554 O ARG A 36 -2.022 0.458 4.630 1.00 0.00 O ATOM 555 CB ARG A 36 -2.439 0.212 7.693 1.00 0.00 C ATOM 556 CG ARG A 36 -0.939 0.303 7.771 1.00 0.00 C ATOM 557 CD ARG A 36 -0.479 1.139 8.946 1.00 0.00 C ATOM 558 NE ARG A 36 0.986 1.138 9.077 1.00 0.00 N ATOM 559 CZ ARG A 36 1.672 1.821 10.007 1.00 0.00 C ATOM 560 NH1 ARG A 36 1.028 2.617 10.865 1.00 0.00 N ATOM 561 NH2 ARG A 36 2.996 1.696 10.087 1.00 0.00 N ATOM 0 H ARG A 36 -1.337 -1.895 6.645 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.017 -0.856 6.811 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.844 1.222 7.623 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.809 -0.216 8.625 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.519 -0.700 7.854 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.554 0.734 6.847 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.832 2.163 8.824 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.926 0.755 9.863 1.00 0.00 H new ATOM 0 HE ARG A 36 1.520 0.577 8.413 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.013 2.707 10.814 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.551 3.135 11.571 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.490 1.081 9.441 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.516 2.216 10.794 1.00 0.00 H new ATOM 575 N VAL A 37 -4.253 0.420 4.811 1.00 0.00 N ATOM 576 CA VAL A 37 -4.493 1.091 3.574 1.00 0.00 C ATOM 577 C VAL A 37 -4.513 2.587 3.757 1.00 0.00 C ATOM 578 O VAL A 37 -5.233 3.119 4.605 1.00 0.00 O ATOM 579 CB VAL A 37 -5.810 0.609 2.904 1.00 0.00 C ATOM 580 CG1 VAL A 37 -6.103 1.406 1.659 1.00 0.00 C ATOM 581 CG2 VAL A 37 -5.701 -0.850 2.537 1.00 0.00 C ATOM 0 H VAL A 37 -5.101 0.176 5.323 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.667 0.838 2.910 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.621 0.752 3.618 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.029 1.050 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.207 2.460 1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.285 1.286 0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.629 -1.178 2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.874 -0.989 1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.521 -1.439 3.436 1.00 0.00 H new ATOM 591 N PHE A 38 -3.723 3.240 2.974 1.00 0.00 N ATOM 592 CA PHE A 38 -3.627 4.663 2.958 1.00 0.00 C ATOM 593 C PHE A 38 -4.191 5.156 1.638 1.00 0.00 C ATOM 594 O PHE A 38 -3.969 4.528 0.592 1.00 0.00 O ATOM 595 CB PHE A 38 -2.161 5.094 3.052 1.00 0.00 C ATOM 596 CG PHE A 38 -1.430 4.742 4.330 1.00 0.00 C ATOM 597 CD1 PHE A 38 -0.920 3.464 4.559 1.00 0.00 C ATOM 598 CD2 PHE A 38 -1.208 5.712 5.281 1.00 0.00 C ATOM 599 CE1 PHE A 38 -0.220 3.184 5.706 1.00 0.00 C ATOM 600 CE2 PHE A 38 -0.515 5.429 6.432 1.00 0.00 C ATOM 601 CZ PHE A 38 -0.019 4.163 6.645 1.00 0.00 C ATOM 0 H PHE A 38 -3.104 2.783 2.304 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.177 5.078 3.803 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.621 4.648 2.217 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.115 6.175 2.920 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.078 2.687 3.826 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.585 6.711 5.119 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.173 2.191 5.869 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.359 6.201 7.171 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.527 3.941 7.550 1.00 0.00 H new ATOM 611 N ASP A 39 -4.920 6.235 1.668 1.00 0.00 N ATOM 612 CA ASP A 39 -5.460 6.798 0.434 1.00 0.00 C ATOM 613 C ASP A 39 -4.426 7.698 -0.206 1.00 0.00 C ATOM 614 O ASP A 39 -3.851 8.568 0.460 1.00 0.00 O ATOM 615 CB ASP A 39 -6.754 7.591 0.689 1.00 0.00 C ATOM 616 CG ASP A 39 -7.334 8.234 -0.583 1.00 0.00 C ATOM 617 OD1 ASP A 39 -6.775 9.238 -1.065 1.00 0.00 O ATOM 618 OD2 ASP A 39 -8.359 7.753 -1.104 1.00 0.00 O ATOM 0 H ASP A 39 -5.160 6.748 2.516 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.702 5.973 -0.236 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.500 6.926 1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.555 8.371 1.424 1.00 0.00 H new ATOM 623 N VAL A 40 -4.188 7.492 -1.476 1.00 0.00 N ATOM 624 CA VAL A 40 -3.242 8.303 -2.228 1.00 0.00 C ATOM 625 C VAL A 40 -3.912 8.908 -3.440 1.00 0.00 C ATOM 626 O VAL A 40 -3.246 9.309 -4.398 1.00 0.00 O ATOM 627 CB VAL A 40 -1.989 7.510 -2.683 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.122 7.125 -1.509 1.00 0.00 C ATOM 629 CG2 VAL A 40 -2.385 6.277 -3.458 1.00 0.00 C ATOM 0 H VAL A 40 -4.640 6.760 -2.025 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.907 9.087 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.410 8.165 -3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.253 6.571 -1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.791 8.025 -0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.695 6.501 -0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.489 5.738 -3.766 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.998 5.632 -2.828 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.954 6.569 -4.340 1.00 0.00 H new ATOM 639 N THR A 41 -5.224 9.033 -3.376 1.00 0.00 N ATOM 640 CA THR A 41 -5.994 9.608 -4.460 1.00 0.00 C ATOM 641 C THR A 41 -5.643 11.102 -4.572 1.00 0.00 C ATOM 642 O THR A 41 -5.773 11.728 -5.631 1.00 0.00 O ATOM 643 CB THR A 41 -7.504 9.451 -4.187 1.00 0.00 C ATOM 644 OG1 THR A 41 -7.782 8.086 -3.840 1.00 0.00 O ATOM 645 CG2 THR A 41 -8.311 9.806 -5.428 1.00 0.00 C ATOM 0 H THR A 41 -5.783 8.740 -2.575 1.00 0.00 H new ATOM 0 HA THR A 41 -5.755 9.093 -5.390 1.00 0.00 H new ATOM 0 HB THR A 41 -7.781 10.120 -3.372 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.113 8.044 -2.918 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.374 9.689 -5.216 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.108 10.839 -5.710 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.029 9.144 -6.247 1.00 0.00 H new ATOM 653 N THR A 42 -5.176 11.642 -3.469 1.00 0.00 N ATOM 654 CA THR A 42 -4.743 13.001 -3.373 1.00 0.00 C ATOM 655 C THR A 42 -3.444 13.219 -4.162 1.00 0.00 C ATOM 656 O THR A 42 -3.252 14.261 -4.805 1.00 0.00 O ATOM 657 CB THR A 42 -4.535 13.345 -1.902 1.00 0.00 C ATOM 658 OG1 THR A 42 -3.722 12.317 -1.300 1.00 0.00 O ATOM 659 CG2 THR A 42 -5.872 13.420 -1.189 1.00 0.00 C ATOM 0 H THR A 42 -5.088 11.126 -2.594 1.00 0.00 H new ATOM 0 HA THR A 42 -5.503 13.653 -3.802 1.00 0.00 H new ATOM 0 HB THR A 42 -4.041 14.313 -1.818 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.578 12.526 -0.353 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.711 13.666 -0.139 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.489 14.190 -1.652 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.378 12.457 -1.262 1.00 0.00 H new ATOM 667 N GLY A 43 -2.585 12.219 -4.139 1.00 0.00 N ATOM 668 CA GLY A 43 -1.330 12.276 -4.847 1.00 0.00 C ATOM 669 C GLY A 43 -1.397 11.460 -6.111 1.00 0.00 C ATOM 670 O GLY A 43 -0.445 10.753 -6.474 1.00 0.00 O ATOM 0 H GLY A 43 -2.740 11.349 -3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.089 13.311 -5.088 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.529 11.903 -4.209 1.00 0.00 H new ATOM 674 N LYS A 44 -2.524 11.568 -6.791 1.00 0.00 N ATOM 675 CA LYS A 44 -2.808 10.816 -7.993 1.00 0.00 C ATOM 676 C LYS A 44 -1.763 11.030 -9.070 1.00 0.00 C ATOM 677 O LYS A 44 -1.439 10.109 -9.810 1.00 0.00 O ATOM 678 CB LYS A 44 -4.144 11.199 -8.520 1.00 0.00 C ATOM 679 CG LYS A 44 -4.542 10.338 -9.652 1.00 0.00 C ATOM 680 CD LYS A 44 -5.885 10.650 -10.089 1.00 0.00 C ATOM 681 CE LYS A 44 -6.297 9.748 -11.209 1.00 0.00 C ATOM 682 NZ LYS A 44 -5.520 9.989 -12.443 1.00 0.00 N ATOM 0 H LYS A 44 -3.280 12.194 -6.515 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.793 9.760 -7.724 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.886 11.124 -7.725 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.126 12.240 -8.841 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.845 10.473 -10.479 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.486 9.291 -9.355 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.579 10.543 -9.255 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.935 11.689 -10.414 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.171 8.710 -10.901 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.357 9.892 -11.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.154 9.947 -13.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.076 10.928 -12.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.783 9.262 -12.537 1.00 0.00 H new ATOM 696 N SER A 45 -1.224 12.233 -9.129 1.00 0.00 N ATOM 697 CA SER A 45 -0.204 12.588 -10.111 1.00 0.00 C ATOM 698 C SER A 45 1.014 11.639 -10.030 1.00 0.00 C ATOM 699 O SER A 45 1.695 11.416 -11.025 1.00 0.00 O ATOM 700 CB SER A 45 0.236 14.053 -9.919 1.00 0.00 C ATOM 701 OG SER A 45 1.146 14.478 -10.942 1.00 0.00 O ATOM 0 H SER A 45 -1.477 12.995 -8.500 1.00 0.00 H new ATOM 0 HA SER A 45 -0.641 12.479 -11.103 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.642 14.699 -9.923 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.709 14.165 -8.943 1.00 0.00 H new ATOM 0 HG SER A 45 1.400 15.412 -10.786 1.00 0.00 H new ATOM 707 N PHE A 46 1.266 11.078 -8.867 1.00 0.00 N ATOM 708 CA PHE A 46 2.376 10.166 -8.702 1.00 0.00 C ATOM 709 C PHE A 46 1.926 8.716 -8.805 1.00 0.00 C ATOM 710 O PHE A 46 2.521 7.916 -9.542 1.00 0.00 O ATOM 711 CB PHE A 46 3.091 10.405 -7.366 1.00 0.00 C ATOM 712 CG PHE A 46 3.759 11.748 -7.258 1.00 0.00 C ATOM 713 CD1 PHE A 46 5.061 11.920 -7.694 1.00 0.00 C ATOM 714 CD2 PHE A 46 3.088 12.834 -6.724 1.00 0.00 C ATOM 715 CE1 PHE A 46 5.683 13.148 -7.601 1.00 0.00 C ATOM 716 CE2 PHE A 46 3.704 14.067 -6.629 1.00 0.00 C ATOM 717 CZ PHE A 46 5.003 14.221 -7.068 1.00 0.00 C ATOM 0 H PHE A 46 0.717 11.238 -8.022 1.00 0.00 H new ATOM 0 HA PHE A 46 3.078 10.362 -9.512 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.368 10.305 -6.556 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.840 9.626 -7.223 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.598 11.082 -8.113 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.072 12.716 -6.378 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.700 13.268 -7.945 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.170 14.908 -6.212 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.487 15.184 -6.994 1.00 0.00 H new ATOM 727 N TYR A 47 0.874 8.383 -8.090 1.00 0.00 N ATOM 728 CA TYR A 47 0.408 7.013 -8.012 1.00 0.00 C ATOM 729 C TYR A 47 -0.517 6.628 -9.182 1.00 0.00 C ATOM 730 O TYR A 47 -0.177 5.753 -9.987 1.00 0.00 O ATOM 731 CB TYR A 47 -0.264 6.771 -6.650 1.00 0.00 C ATOM 732 CG TYR A 47 0.657 7.086 -5.478 1.00 0.00 C ATOM 733 CD1 TYR A 47 0.800 8.389 -5.027 1.00 0.00 C ATOM 734 CD2 TYR A 47 1.395 6.096 -4.845 1.00 0.00 C ATOM 735 CE1 TYR A 47 1.636 8.705 -3.992 1.00 0.00 C ATOM 736 CE2 TYR A 47 2.248 6.407 -3.797 1.00 0.00 C ATOM 737 CZ TYR A 47 2.360 7.721 -3.378 1.00 0.00 C ATOM 738 OH TYR A 47 3.209 8.054 -2.347 1.00 0.00 O ATOM 0 H TYR A 47 0.320 9.047 -7.550 1.00 0.00 H new ATOM 0 HA TYR A 47 1.277 6.360 -8.100 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.161 7.386 -6.577 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.584 5.731 -6.587 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.236 9.176 -5.506 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.304 5.071 -5.173 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.724 9.729 -3.660 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.820 5.630 -3.312 1.00 0.00 H new ATOM 0 HH TYR A 47 3.184 7.352 -1.663 1.00 0.00 H new ATOM 748 N GLY A 48 -1.647 7.311 -9.319 1.00 0.00 N ATOM 749 CA GLY A 48 -2.618 6.922 -10.324 1.00 0.00 C ATOM 750 C GLY A 48 -2.510 7.721 -11.586 1.00 0.00 C ATOM 751 O GLY A 48 -3.499 8.228 -12.094 1.00 0.00 O ATOM 0 H GLY A 48 -1.907 8.121 -8.757 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.487 5.865 -10.558 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.622 7.035 -9.914 1.00 0.00 H new ATOM 755 N SER A 49 -1.326 7.857 -12.072 1.00 0.00 N ATOM 756 CA SER A 49 -1.100 8.562 -13.297 1.00 0.00 C ATOM 757 C SER A 49 -0.239 7.686 -14.201 1.00 0.00 C ATOM 758 O SER A 49 0.161 8.084 -15.296 1.00 0.00 O ATOM 759 CB SER A 49 -0.412 9.912 -12.993 1.00 0.00 C ATOM 760 OG SER A 49 -0.258 10.717 -14.154 1.00 0.00 O ATOM 0 H SER A 49 -0.483 7.485 -11.636 1.00 0.00 H new ATOM 0 HA SER A 49 -2.041 8.776 -13.805 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.998 10.456 -12.252 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.567 9.726 -12.551 1.00 0.00 H new ATOM 0 HG SER A 49 -0.083 10.143 -14.929 1.00 0.00 H new ATOM 766 N GLY A 50 0.001 6.460 -13.743 1.00 0.00 N ATOM 767 CA GLY A 50 0.883 5.558 -14.450 1.00 0.00 C ATOM 768 C GLY A 50 2.327 6.002 -14.328 1.00 0.00 C ATOM 769 O GLY A 50 3.145 5.744 -15.209 1.00 0.00 O ATOM 0 H GLY A 50 -0.404 6.077 -12.889 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.774 4.550 -14.050 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.599 5.516 -15.502 1.00 0.00 H new ATOM 773 N GLY A 51 2.641 6.660 -13.222 1.00 0.00 N ATOM 774 CA GLY A 51 3.966 7.198 -13.025 1.00 0.00 C ATOM 775 C GLY A 51 4.915 6.232 -12.347 1.00 0.00 C ATOM 776 O GLY A 51 4.790 5.013 -12.486 1.00 0.00 O ATOM 0 H GLY A 51 1.994 6.831 -12.453 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.381 7.484 -13.991 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.896 8.106 -12.427 1.00 0.00 H new ATOM 780 N ASP A 52 5.850 6.779 -11.611 1.00 0.00 N ATOM 781 CA ASP A 52 6.878 6.010 -10.903 1.00 0.00 C ATOM 782 C ASP A 52 6.265 5.242 -9.747 1.00 0.00 C ATOM 783 O ASP A 52 6.545 4.069 -9.531 1.00 0.00 O ATOM 784 CB ASP A 52 7.962 6.971 -10.391 1.00 0.00 C ATOM 785 CG ASP A 52 9.064 6.289 -9.608 1.00 0.00 C ATOM 786 OD1 ASP A 52 10.000 5.731 -10.231 1.00 0.00 O ATOM 787 OD2 ASP A 52 9.031 6.318 -8.366 1.00 0.00 O ATOM 0 H ASP A 52 5.931 7.787 -11.476 1.00 0.00 H new ATOM 0 HA ASP A 52 7.325 5.290 -11.588 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.402 7.493 -11.241 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.495 7.727 -9.760 1.00 0.00 H new ATOM 792 N TYR A 53 5.370 5.896 -9.055 1.00 0.00 N ATOM 793 CA TYR A 53 4.725 5.324 -7.890 1.00 0.00 C ATOM 794 C TYR A 53 3.443 4.593 -8.271 1.00 0.00 C ATOM 795 O TYR A 53 2.611 4.294 -7.419 1.00 0.00 O ATOM 796 CB TYR A 53 4.426 6.419 -6.866 1.00 0.00 C ATOM 797 CG TYR A 53 5.661 7.109 -6.344 1.00 0.00 C ATOM 798 CD1 TYR A 53 6.347 6.606 -5.249 1.00 0.00 C ATOM 799 CD2 TYR A 53 6.147 8.258 -6.952 1.00 0.00 C ATOM 800 CE1 TYR A 53 7.481 7.229 -4.774 1.00 0.00 C ATOM 801 CE2 TYR A 53 7.276 8.886 -6.484 1.00 0.00 C ATOM 802 CZ TYR A 53 7.939 8.368 -5.395 1.00 0.00 C ATOM 803 OH TYR A 53 9.073 8.991 -4.931 1.00 0.00 O ATOM 0 H TYR A 53 5.063 6.843 -9.279 1.00 0.00 H new ATOM 0 HA TYR A 53 5.406 4.597 -7.448 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.770 7.161 -7.321 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.882 5.983 -6.028 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.987 5.712 -4.761 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.629 8.665 -7.808 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.006 6.826 -3.921 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.641 9.780 -6.968 1.00 0.00 H new ATOM 0 HH TYR A 53 9.261 9.780 -5.481 1.00 0.00 H new ATOM 813 N SER A 54 3.316 4.251 -9.534 1.00 0.00 N ATOM 814 CA SER A 54 2.118 3.609 -10.016 1.00 0.00 C ATOM 815 C SER A 54 2.047 2.151 -9.560 1.00 0.00 C ATOM 816 O SER A 54 0.967 1.572 -9.488 1.00 0.00 O ATOM 817 CB SER A 54 2.042 3.692 -11.537 1.00 0.00 C ATOM 818 OG SER A 54 0.791 3.233 -12.019 1.00 0.00 O ATOM 0 H SER A 54 4.030 4.408 -10.245 1.00 0.00 H new ATOM 0 HA SER A 54 1.264 4.137 -9.592 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.200 4.723 -11.855 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.843 3.097 -11.976 1.00 0.00 H new ATOM 0 HG SER A 54 0.072 3.769 -11.625 1.00 0.00 H new ATOM 824 N MET A 55 3.192 1.568 -9.214 1.00 0.00 N ATOM 825 CA MET A 55 3.220 0.162 -8.798 1.00 0.00 C ATOM 826 C MET A 55 2.613 0.018 -7.422 1.00 0.00 C ATOM 827 O MET A 55 2.141 -1.053 -7.047 1.00 0.00 O ATOM 828 CB MET A 55 4.640 -0.400 -8.782 1.00 0.00 C ATOM 829 CG MET A 55 5.412 -0.176 -10.056 1.00 0.00 C ATOM 830 SD MET A 55 4.539 -0.744 -11.534 1.00 0.00 S ATOM 831 CE MET A 55 5.731 -0.313 -12.804 1.00 0.00 C ATOM 0 H MET A 55 4.099 2.034 -9.212 1.00 0.00 H new ATOM 0 HA MET A 55 2.639 -0.404 -9.526 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.188 0.053 -7.955 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.592 -1.471 -8.584 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.630 0.887 -10.158 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.369 -0.693 -9.988 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.342 -0.600 -13.781 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.909 0.762 -12.786 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.667 -0.839 -12.618 1.00 0.00 H new ATOM 841 N PHE A 56 2.623 1.117 -6.690 1.00 0.00 N ATOM 842 CA PHE A 56 2.095 1.181 -5.344 1.00 0.00 C ATOM 843 C PHE A 56 0.581 1.329 -5.394 1.00 0.00 C ATOM 844 O PHE A 56 -0.126 0.903 -4.494 1.00 0.00 O ATOM 845 CB PHE A 56 2.701 2.396 -4.609 1.00 0.00 C ATOM 846 CG PHE A 56 4.208 2.388 -4.492 1.00 0.00 C ATOM 847 CD1 PHE A 56 5.006 2.757 -5.563 1.00 0.00 C ATOM 848 CD2 PHE A 56 4.819 2.016 -3.317 1.00 0.00 C ATOM 849 CE1 PHE A 56 6.381 2.753 -5.460 1.00 0.00 C ATOM 850 CE2 PHE A 56 6.195 2.009 -3.205 1.00 0.00 C ATOM 851 CZ PHE A 56 6.977 2.378 -4.277 1.00 0.00 C ATOM 0 H PHE A 56 3.005 2.003 -7.021 1.00 0.00 H new ATOM 0 HA PHE A 56 2.354 0.265 -4.813 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.397 3.304 -5.129 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.274 2.445 -3.607 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.544 3.052 -6.493 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.214 1.726 -2.471 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.988 3.043 -6.305 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.659 1.714 -2.275 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.053 2.373 -4.190 1.00 0.00 H new ATOM 861 N ALA A 57 0.100 1.930 -6.471 1.00 0.00 N ATOM 862 CA ALA A 57 -1.315 2.186 -6.647 1.00 0.00 C ATOM 863 C ALA A 57 -2.099 0.886 -6.743 1.00 0.00 C ATOM 864 O ALA A 57 -1.899 0.088 -7.671 1.00 0.00 O ATOM 865 CB ALA A 57 -1.547 3.049 -7.882 1.00 0.00 C ATOM 0 H ALA A 57 0.681 2.252 -7.245 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.675 2.727 -5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.615 3.233 -8.002 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.026 3.999 -7.765 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.167 2.533 -8.763 1.00 0.00 H new ATOM 871 N GLY A 58 -2.959 0.661 -5.778 1.00 0.00 N ATOM 872 CA GLY A 58 -3.783 -0.511 -5.773 1.00 0.00 C ATOM 873 C GLY A 58 -3.052 -1.717 -5.240 1.00 0.00 C ATOM 874 O GLY A 58 -3.432 -2.847 -5.514 1.00 0.00 O ATOM 0 H GLY A 58 -3.102 1.283 -4.983 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.669 -0.328 -5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.128 -0.715 -6.787 1.00 0.00 H new ATOM 878 N LYS A 59 -1.990 -1.495 -4.515 1.00 0.00 N ATOM 879 CA LYS A 59 -1.200 -2.589 -4.038 1.00 0.00 C ATOM 880 C LYS A 59 -0.595 -2.264 -2.671 1.00 0.00 C ATOM 881 O LYS A 59 -0.298 -1.101 -2.376 1.00 0.00 O ATOM 882 CB LYS A 59 -0.085 -2.815 -5.062 1.00 0.00 C ATOM 883 CG LYS A 59 0.749 -4.079 -4.898 1.00 0.00 C ATOM 884 CD LYS A 59 -0.047 -5.348 -5.114 1.00 0.00 C ATOM 885 CE LYS A 59 -0.804 -5.308 -6.440 1.00 0.00 C ATOM 886 NZ LYS A 59 -1.433 -6.595 -6.778 1.00 0.00 N ATOM 0 H LYS A 59 -1.655 -0.570 -4.244 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.815 -3.481 -3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.533 -2.830 -6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.587 -1.957 -5.028 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.579 -4.053 -5.604 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.182 -4.094 -3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.624 -6.207 -5.101 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.752 -5.482 -4.294 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.572 -4.536 -6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.117 -5.025 -7.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.283 -6.426 -7.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.761 -7.179 -7.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.700 -7.091 -5.904 1.00 0.00 H new ATOM 900 N ASP A 60 -0.456 -3.268 -1.825 1.00 0.00 N ATOM 901 CA ASP A 60 0.332 -3.102 -0.607 1.00 0.00 C ATOM 902 C ASP A 60 1.780 -3.156 -1.053 1.00 0.00 C ATOM 903 O ASP A 60 2.138 -3.986 -1.893 1.00 0.00 O ATOM 904 CB ASP A 60 0.057 -4.217 0.418 1.00 0.00 C ATOM 905 CG ASP A 60 0.778 -4.005 1.771 1.00 0.00 C ATOM 906 OD1 ASP A 60 2.027 -4.090 1.822 1.00 0.00 O ATOM 907 OD2 ASP A 60 0.096 -3.754 2.791 1.00 0.00 O ATOM 0 H ASP A 60 -0.868 -4.193 -1.950 1.00 0.00 H new ATOM 0 HA ASP A 60 0.078 -2.165 -0.111 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.017 -4.281 0.594 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.368 -5.172 -0.004 1.00 0.00 H new ATOM 912 N ALA A 61 2.599 -2.303 -0.539 1.00 0.00 N ATOM 913 CA ALA A 61 3.948 -2.204 -1.032 1.00 0.00 C ATOM 914 C ALA A 61 4.983 -2.472 0.033 1.00 0.00 C ATOM 915 O ALA A 61 6.145 -2.148 -0.160 1.00 0.00 O ATOM 916 CB ALA A 61 4.157 -0.829 -1.622 1.00 0.00 C ATOM 0 H ALA A 61 2.368 -1.662 0.220 1.00 0.00 H new ATOM 0 HA ALA A 61 4.079 -2.973 -1.794 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.177 -0.746 -1.998 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.455 -0.674 -2.441 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.991 -0.074 -0.853 1.00 0.00 H new ATOM 922 N SER A 62 4.598 -3.120 1.102 1.00 0.00 N ATOM 923 CA SER A 62 5.490 -3.320 2.235 1.00 0.00 C ATOM 924 C SER A 62 6.857 -4.005 1.893 1.00 0.00 C ATOM 925 O SER A 62 7.908 -3.573 2.391 1.00 0.00 O ATOM 926 CB SER A 62 4.755 -3.989 3.383 1.00 0.00 C ATOM 927 OG SER A 62 4.092 -5.153 2.958 1.00 0.00 O ATOM 0 H SER A 62 3.669 -3.524 1.220 1.00 0.00 H new ATOM 0 HA SER A 62 5.792 -2.324 2.559 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.463 -4.239 4.173 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.033 -3.293 3.810 1.00 0.00 H new ATOM 0 HG SER A 62 3.219 -4.914 2.582 1.00 0.00 H new ATOM 933 N ARG A 63 6.850 -5.030 1.038 1.00 0.00 N ATOM 934 CA ARG A 63 8.121 -5.668 0.609 1.00 0.00 C ATOM 935 C ARG A 63 8.930 -4.760 -0.291 1.00 0.00 C ATOM 936 O ARG A 63 10.169 -4.748 -0.245 1.00 0.00 O ATOM 937 CB ARG A 63 7.896 -7.028 -0.075 1.00 0.00 C ATOM 938 CG ARG A 63 9.122 -7.557 -0.828 1.00 0.00 C ATOM 939 CD ARG A 63 8.901 -8.947 -1.366 1.00 0.00 C ATOM 940 NE ARG A 63 9.888 -9.306 -2.398 1.00 0.00 N ATOM 941 CZ ARG A 63 10.592 -10.440 -2.452 1.00 0.00 C ATOM 942 NH1 ARG A 63 10.658 -11.256 -1.403 1.00 0.00 N ATOM 943 NH2 ARG A 63 11.281 -10.715 -3.547 1.00 0.00 N ATOM 0 H ARG A 63 6.007 -5.436 0.631 1.00 0.00 H new ATOM 0 HA ARG A 63 8.689 -5.845 1.522 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.602 -7.758 0.679 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.064 -6.939 -0.773 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.359 -6.884 -1.652 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.984 -7.560 -0.160 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.956 -9.665 -0.548 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.897 -9.018 -1.785 1.00 0.00 H new ATOM 0 HE ARG A 63 10.049 -8.626 -3.141 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.167 -11.019 -0.541 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.200 -12.118 -1.461 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.269 -10.066 -4.333 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.824 -11.577 -3.605 1.00 0.00 H new ATOM 957 N ALA A 64 8.243 -3.978 -1.077 1.00 0.00 N ATOM 958 CA ALA A 64 8.904 -3.107 -2.027 1.00 0.00 C ATOM 959 C ALA A 64 9.572 -2.012 -1.271 1.00 0.00 C ATOM 960 O ALA A 64 10.728 -1.672 -1.517 1.00 0.00 O ATOM 961 CB ALA A 64 7.914 -2.538 -3.022 1.00 0.00 C ATOM 0 H ALA A 64 7.225 -3.921 -1.083 1.00 0.00 H new ATOM 0 HA ALA A 64 9.642 -3.676 -2.592 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.436 -1.888 -3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.438 -3.353 -3.568 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.154 -1.964 -2.492 1.00 0.00 H new ATOM 967 N LEU A 65 8.849 -1.521 -0.312 1.00 0.00 N ATOM 968 CA LEU A 65 9.276 -0.481 0.566 1.00 0.00 C ATOM 969 C LEU A 65 10.569 -0.811 1.287 1.00 0.00 C ATOM 970 O LEU A 65 11.414 0.053 1.461 1.00 0.00 O ATOM 971 CB LEU A 65 8.159 -0.153 1.548 1.00 0.00 C ATOM 972 CG LEU A 65 6.913 0.532 0.966 1.00 0.00 C ATOM 973 CD1 LEU A 65 5.919 0.875 2.045 1.00 0.00 C ATOM 974 CD2 LEU A 65 7.315 1.760 0.228 1.00 0.00 C ATOM 0 H LEU A 65 7.904 -1.850 -0.113 1.00 0.00 H new ATOM 0 HA LEU A 65 9.493 0.398 -0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.845 -1.079 2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.568 0.489 2.328 1.00 0.00 H new ATOM 0 HG LEU A 65 6.430 -0.164 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.050 1.358 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.606 -0.036 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.381 1.552 2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.429 2.244 -0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.819 2.445 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.992 1.492 -0.583 1.00 0.00 H new ATOM 986 N GLY A 66 10.742 -2.054 1.666 1.00 0.00 N ATOM 987 CA GLY A 66 11.939 -2.425 2.384 1.00 0.00 C ATOM 988 C GLY A 66 13.148 -2.593 1.488 1.00 0.00 C ATOM 989 O GLY A 66 14.280 -2.656 1.963 1.00 0.00 O ATOM 0 H GLY A 66 10.084 -2.814 1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.155 -1.664 3.134 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.759 -3.358 2.918 1.00 0.00 H new ATOM 993 N LYS A 67 12.932 -2.648 0.193 1.00 0.00 N ATOM 994 CA LYS A 67 14.040 -2.850 -0.718 1.00 0.00 C ATOM 995 C LYS A 67 14.225 -1.662 -1.617 1.00 0.00 C ATOM 996 O LYS A 67 15.075 -1.679 -2.507 1.00 0.00 O ATOM 997 CB LYS A 67 13.864 -4.124 -1.548 1.00 0.00 C ATOM 998 CG LYS A 67 13.624 -5.344 -0.695 1.00 0.00 C ATOM 999 CD LYS A 67 13.888 -6.638 -1.429 1.00 0.00 C ATOM 1000 CE LYS A 67 12.986 -6.824 -2.609 1.00 0.00 C ATOM 1001 NZ LYS A 67 13.336 -8.037 -3.368 1.00 0.00 N ATOM 0 H LYS A 67 12.017 -2.558 -0.249 1.00 0.00 H new ATOM 0 HA LYS A 67 14.937 -2.967 -0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.026 -3.994 -2.233 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.753 -4.281 -2.158 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.263 -5.296 0.187 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.593 -5.337 -0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.925 -6.657 -1.763 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.759 -7.474 -0.742 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.952 -6.890 -2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.053 -5.953 -3.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.479 -8.433 -3.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.022 -7.795 -4.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.755 -8.740 -2.726 1.00 0.00 H new ATOM 1015 N MET A 68 13.429 -0.615 -1.368 1.00 0.00 N ATOM 1016 CA MET A 68 13.432 0.623 -2.177 1.00 0.00 C ATOM 1017 C MET A 68 12.939 0.315 -3.586 1.00 0.00 C ATOM 1018 O MET A 68 13.167 1.071 -4.536 1.00 0.00 O ATOM 1019 CB MET A 68 14.828 1.271 -2.207 1.00 0.00 C ATOM 1020 CG MET A 68 15.357 1.646 -0.836 1.00 0.00 C ATOM 1021 SD MET A 68 17.009 2.384 -0.886 1.00 0.00 S ATOM 1022 CE MET A 68 16.710 3.838 -1.900 1.00 0.00 C ATOM 0 H MET A 68 12.760 -0.597 -0.598 1.00 0.00 H new ATOM 0 HA MET A 68 12.756 1.342 -1.715 1.00 0.00 H new ATOM 0 HB2 MET A 68 15.528 0.583 -2.681 1.00 0.00 H new ATOM 0 HB3 MET A 68 14.790 2.165 -2.829 1.00 0.00 H new ATOM 0 HG2 MET A 68 14.667 2.347 -0.367 1.00 0.00 H new ATOM 0 HG3 MET A 68 15.383 0.756 -0.208 1.00 0.00 H new ATOM 0 HE1 MET A 68 17.295 4.674 -1.518 1.00 0.00 H new ATOM 0 HE2 MET A 68 17.002 3.630 -2.929 1.00 0.00 H new ATOM 0 HE3 MET A 68 15.651 4.092 -1.868 1.00 0.00 H new ATOM 1032 N SER A 69 12.209 -0.766 -3.673 1.00 0.00 N ATOM 1033 CA SER A 69 11.659 -1.264 -4.842 1.00 0.00 C ATOM 1034 C SER A 69 10.382 -0.574 -5.114 1.00 0.00 C ATOM 1035 O SER A 69 9.689 -0.072 -4.224 1.00 0.00 O ATOM 1036 CB SER A 69 11.449 -2.792 -4.745 1.00 0.00 C ATOM 1037 OG SER A 69 10.703 -3.290 -5.828 1.00 0.00 O ATOM 0 H SER A 69 11.986 -1.337 -2.858 1.00 0.00 H new ATOM 0 HA SER A 69 12.347 -1.079 -5.667 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.418 -3.290 -4.713 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.937 -3.029 -3.812 1.00 0.00 H new ATOM 0 HG SER A 69 11.214 -3.178 -6.657 1.00 0.00 H new ATOM 1043 N LYS A 70 10.112 -0.554 -6.321 1.00 0.00 N ATOM 1044 CA LYS A 70 9.018 0.068 -6.908 1.00 0.00 C ATOM 1045 C LYS A 70 8.711 -0.715 -8.157 1.00 0.00 C ATOM 1046 O LYS A 70 8.098 -0.226 -9.063 1.00 0.00 O ATOM 1047 CB LYS A 70 9.448 1.471 -7.256 1.00 0.00 C ATOM 1048 CG LYS A 70 10.876 1.469 -7.759 1.00 0.00 C ATOM 1049 CD LYS A 70 11.268 2.726 -8.452 1.00 0.00 C ATOM 1050 CE LYS A 70 11.242 3.914 -7.507 1.00 0.00 C ATOM 1051 NZ LYS A 70 11.665 5.157 -8.172 1.00 0.00 N ATOM 0 H LYS A 70 10.706 -1.018 -7.008 1.00 0.00 H new ATOM 0 HA LYS A 70 8.140 0.106 -6.264 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.787 1.884 -8.018 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.364 2.113 -6.379 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.548 1.304 -6.917 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.010 0.631 -8.443 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.268 2.615 -8.871 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.591 2.909 -9.287 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.235 4.040 -7.110 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.896 3.716 -6.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.308 5.975 -7.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.704 5.194 -8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.282 5.181 -9.139 1.00 0.00 H new ATOM 1065 N ASN A 71 9.181 -1.950 -8.184 1.00 0.00 N ATOM 1066 CA ASN A 71 8.926 -2.840 -9.293 1.00 0.00 C ATOM 1067 C ASN A 71 7.865 -3.815 -8.926 1.00 0.00 C ATOM 1068 O ASN A 71 7.774 -4.244 -7.771 1.00 0.00 O ATOM 1069 CB ASN A 71 10.181 -3.544 -9.825 1.00 0.00 C ATOM 1070 CG ASN A 71 10.982 -4.280 -8.759 1.00 0.00 C ATOM 1071 OD1 ASN A 71 11.876 -3.708 -8.140 1.00 0.00 O ATOM 1072 ND2 ASN A 71 10.698 -5.533 -8.550 1.00 0.00 N ATOM 0 H ASN A 71 9.747 -2.358 -7.440 1.00 0.00 H new ATOM 0 HA ASN A 71 8.578 -2.222 -10.121 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.886 -4.254 -10.597 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.825 -2.804 -10.301 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.223 -6.066 -7.857 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.950 -5.982 -9.079 1.00 0.00 H new ATOM 1079 N GLU A 72 7.114 -4.212 -9.907 1.00 0.00 N ATOM 1080 CA GLU A 72 5.901 -4.976 -9.723 1.00 0.00 C ATOM 1081 C GLU A 72 6.079 -6.297 -8.955 1.00 0.00 C ATOM 1082 O GLU A 72 5.190 -6.689 -8.186 1.00 0.00 O ATOM 1083 CB GLU A 72 5.249 -5.239 -11.062 1.00 0.00 C ATOM 1084 CG GLU A 72 6.090 -6.036 -12.037 1.00 0.00 C ATOM 1085 CD GLU A 72 5.322 -6.376 -13.279 1.00 0.00 C ATOM 1086 OE1 GLU A 72 4.502 -7.313 -13.234 1.00 0.00 O ATOM 1087 OE2 GLU A 72 5.513 -5.716 -14.318 1.00 0.00 O ATOM 0 H GLU A 72 7.326 -4.013 -10.885 1.00 0.00 H new ATOM 0 HA GLU A 72 5.259 -4.359 -9.094 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.312 -5.770 -10.895 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.996 -4.283 -11.520 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.979 -5.464 -12.303 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.432 -6.953 -11.558 1.00 0.00 H new ATOM 1094 N GLU A 73 7.199 -6.964 -9.139 1.00 0.00 N ATOM 1095 CA GLU A 73 7.430 -8.244 -8.480 1.00 0.00 C ATOM 1096 C GLU A 73 7.720 -8.102 -6.993 1.00 0.00 C ATOM 1097 O GLU A 73 7.560 -9.053 -6.242 1.00 0.00 O ATOM 1098 CB GLU A 73 8.544 -9.014 -9.156 1.00 0.00 C ATOM 1099 CG GLU A 73 8.243 -9.405 -10.586 1.00 0.00 C ATOM 1100 CD GLU A 73 9.418 -10.050 -11.245 1.00 0.00 C ATOM 1101 OE1 GLU A 73 10.296 -9.320 -11.727 1.00 0.00 O ATOM 1102 OE2 GLU A 73 9.490 -11.302 -11.286 1.00 0.00 O ATOM 0 H GLU A 73 7.964 -6.648 -9.735 1.00 0.00 H new ATOM 0 HA GLU A 73 6.500 -8.804 -8.575 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.451 -8.410 -9.139 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.750 -9.916 -8.579 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.395 -10.090 -10.605 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.950 -8.520 -11.151 1.00 0.00 H new ATOM 1109 N ASP A 74 8.148 -6.931 -6.556 1.00 0.00 N ATOM 1110 CA ASP A 74 8.454 -6.768 -5.146 1.00 0.00 C ATOM 1111 C ASP A 74 7.400 -6.010 -4.408 1.00 0.00 C ATOM 1112 O ASP A 74 7.392 -6.001 -3.181 1.00 0.00 O ATOM 1113 CB ASP A 74 9.827 -6.171 -4.903 1.00 0.00 C ATOM 1114 CG ASP A 74 10.926 -7.073 -5.365 1.00 0.00 C ATOM 1115 OD1 ASP A 74 11.117 -8.151 -4.753 1.00 0.00 O ATOM 1116 OD2 ASP A 74 11.631 -6.728 -6.316 1.00 0.00 O ATOM 0 H ASP A 74 8.288 -6.103 -7.135 1.00 0.00 H new ATOM 0 HA ASP A 74 8.469 -7.779 -4.740 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.902 -5.215 -5.421 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.950 -5.968 -3.839 1.00 0.00 H new ATOM 1121 N VAL A 75 6.517 -5.360 -5.130 1.00 0.00 N ATOM 1122 CA VAL A 75 5.417 -4.675 -4.494 1.00 0.00 C ATOM 1123 C VAL A 75 4.450 -5.753 -4.020 1.00 0.00 C ATOM 1124 O VAL A 75 3.905 -6.525 -4.829 1.00 0.00 O ATOM 1125 CB VAL A 75 4.736 -3.670 -5.439 1.00 0.00 C ATOM 1126 CG1 VAL A 75 3.750 -2.850 -4.681 1.00 0.00 C ATOM 1127 CG2 VAL A 75 5.758 -2.762 -6.070 1.00 0.00 C ATOM 0 H VAL A 75 6.538 -5.291 -6.147 1.00 0.00 H new ATOM 0 HA VAL A 75 5.773 -4.078 -3.654 1.00 0.00 H new ATOM 0 HB VAL A 75 4.224 -4.227 -6.223 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.271 -2.140 -5.356 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.994 -3.502 -4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.262 -2.307 -3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.258 -2.058 -6.735 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.287 -2.212 -5.291 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.470 -3.357 -6.641 1.00 0.00 H new ATOM 1137 N SER A 76 4.254 -5.822 -2.726 1.00 0.00 N ATOM 1138 CA SER A 76 3.654 -6.966 -2.088 1.00 0.00 C ATOM 1139 C SER A 76 3.243 -6.653 -0.629 1.00 0.00 C ATOM 1140 O SER A 76 3.880 -5.823 0.021 1.00 0.00 O ATOM 1141 CB SER A 76 4.701 -8.071 -2.083 1.00 0.00 C ATOM 1142 OG SER A 76 4.951 -8.593 -3.380 1.00 0.00 O ATOM 0 H SER A 76 4.510 -5.076 -2.079 1.00 0.00 H new ATOM 0 HA SER A 76 2.753 -7.256 -2.628 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.631 -7.684 -1.666 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.370 -8.877 -1.429 1.00 0.00 H new ATOM 0 HG SER A 76 5.630 -9.297 -3.324 1.00 0.00 H new ATOM 1148 N PRO A 77 2.194 -7.361 -0.103 1.00 0.00 N ATOM 1149 CA PRO A 77 1.628 -7.132 1.256 1.00 0.00 C ATOM 1150 C PRO A 77 2.349 -7.880 2.400 1.00 0.00 C ATOM 1151 O PRO A 77 1.723 -8.237 3.409 1.00 0.00 O ATOM 1152 CB PRO A 77 0.211 -7.688 1.100 1.00 0.00 C ATOM 1153 CG PRO A 77 0.362 -8.821 0.150 1.00 0.00 C ATOM 1154 CD PRO A 77 1.452 -8.432 -0.813 1.00 0.00 C ATOM 0 HA PRO A 77 1.711 -6.084 1.543 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.192 -8.022 2.056 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.472 -6.932 0.712 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.621 -9.738 0.679 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.572 -9.011 -0.378 1.00 0.00 H new ATOM 0 HD2 PRO A 77 2.099 -9.278 -1.047 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.041 -8.074 -1.757 1.00 0.00 H new ATOM 1162 N SER A 78 3.630 -8.072 2.276 1.00 0.00 N ATOM 1163 CA SER A 78 4.390 -8.764 3.292 1.00 0.00 C ATOM 1164 C SER A 78 5.803 -8.337 3.288 1.00 0.00 C ATOM 1165 O SER A 78 6.272 -7.757 2.328 1.00 0.00 O ATOM 1166 CB SER A 78 4.243 -10.260 3.138 1.00 0.00 C ATOM 1167 OG SER A 78 4.452 -10.661 1.787 1.00 0.00 O ATOM 0 H SER A 78 4.180 -7.758 1.476 1.00 0.00 H new ATOM 0 HA SER A 78 3.986 -8.496 4.268 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.958 -10.767 3.786 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.248 -10.566 3.461 1.00 0.00 H new ATOM 0 HG SER A 78 4.353 -11.633 1.715 1.00 0.00 H new ATOM 1173 N LEU A 79 6.492 -8.640 4.354 1.00 0.00 N ATOM 1174 CA LEU A 79 7.840 -8.190 4.532 1.00 0.00 C ATOM 1175 C LEU A 79 8.764 -9.347 4.227 1.00 0.00 C ATOM 1176 O LEU A 79 9.867 -9.450 4.757 1.00 0.00 O ATOM 1177 CB LEU A 79 8.060 -7.731 5.980 1.00 0.00 C ATOM 1178 CG LEU A 79 6.976 -6.852 6.635 1.00 0.00 C ATOM 1179 CD1 LEU A 79 7.513 -6.161 7.873 1.00 0.00 C ATOM 1180 CD2 LEU A 79 6.361 -5.869 5.671 1.00 0.00 C ATOM 0 H LEU A 79 6.132 -9.206 5.122 1.00 0.00 H new ATOM 0 HA LEU A 79 8.041 -7.350 3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.185 -8.621 6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.001 -7.183 6.017 1.00 0.00 H new ATOM 0 HG LEU A 79 6.170 -7.519 6.942 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.729 -5.547 8.316 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.839 -6.910 8.595 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.358 -5.529 7.599 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.605 -5.278 6.187 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.135 -5.208 5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.897 -6.410 4.846 1.00 0.00 H new ATOM 1192 N GLU A 80 8.308 -10.186 3.339 1.00 0.00 N ATOM 1193 CA GLU A 80 8.998 -11.381 2.969 1.00 0.00 C ATOM 1194 C GLU A 80 10.271 -11.113 2.213 1.00 0.00 C ATOM 1195 O GLU A 80 10.286 -10.383 1.211 1.00 0.00 O ATOM 1196 CB GLU A 80 8.112 -12.264 2.134 1.00 0.00 C ATOM 1197 CG GLU A 80 8.781 -13.532 1.695 1.00 0.00 C ATOM 1198 CD GLU A 80 9.068 -14.446 2.864 1.00 0.00 C ATOM 1199 OE1 GLU A 80 8.133 -15.102 3.349 1.00 0.00 O ATOM 1200 OE2 GLU A 80 10.223 -14.498 3.340 1.00 0.00 O ATOM 0 H GLU A 80 7.426 -10.051 2.844 1.00 0.00 H new ATOM 0 HA GLU A 80 9.262 -11.880 3.901 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.217 -12.512 2.705 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.785 -11.710 1.254 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.145 -14.049 0.976 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.713 -13.293 1.182 1.00 0.00 H new ATOM 1207 N GLY A 81 11.310 -11.716 2.689 1.00 0.00 N ATOM 1208 CA GLY A 81 12.557 -11.684 2.051 1.00 0.00 C ATOM 1209 C GLY A 81 13.357 -10.527 2.521 1.00 0.00 C ATOM 1210 O GLY A 81 14.214 -10.017 1.798 1.00 0.00 O ATOM 0 H GLY A 81 11.301 -12.255 3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 81 13.096 -12.610 2.250 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.417 -11.622 0.972 1.00 0.00 H new ATOM 1214 N LEU A 82 13.075 -10.112 3.733 1.00 0.00 N ATOM 1215 CA LEU A 82 13.630 -8.945 4.305 1.00 0.00 C ATOM 1216 C LEU A 82 14.049 -9.173 5.735 1.00 0.00 C ATOM 1217 O LEU A 82 13.303 -9.734 6.535 1.00 0.00 O ATOM 1218 CB LEU A 82 12.558 -7.887 4.279 1.00 0.00 C ATOM 1219 CG LEU A 82 12.097 -7.465 2.905 1.00 0.00 C ATOM 1220 CD1 LEU A 82 10.868 -6.649 3.014 1.00 0.00 C ATOM 1221 CD2 LEU A 82 13.147 -6.647 2.258 1.00 0.00 C ATOM 0 H LEU A 82 12.432 -10.604 4.353 1.00 0.00 H new ATOM 0 HA LEU A 82 14.515 -8.651 3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.696 -8.254 4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.927 -7.007 4.806 1.00 0.00 H new ATOM 0 HG LEU A 82 11.898 -8.358 2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.541 -6.348 2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.083 -7.235 3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.073 -5.761 3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.812 -6.343 1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.342 -5.761 2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.061 -7.233 2.168 1.00 0.00 H new ATOM 1233 N THR A 83 15.232 -8.757 6.036 1.00 0.00 N ATOM 1234 CA THR A 83 15.734 -8.759 7.382 1.00 0.00 C ATOM 1235 C THR A 83 15.406 -7.408 8.011 1.00 0.00 C ATOM 1236 O THR A 83 14.913 -6.526 7.312 1.00 0.00 O ATOM 1237 CB THR A 83 17.255 -8.993 7.386 1.00 0.00 C ATOM 1238 OG1 THR A 83 17.906 -8.048 6.507 1.00 0.00 O ATOM 1239 CG2 THR A 83 17.583 -10.401 6.947 1.00 0.00 C ATOM 0 H THR A 83 15.894 -8.399 5.348 1.00 0.00 H new ATOM 0 HA THR A 83 15.270 -9.563 7.953 1.00 0.00 H new ATOM 0 HB THR A 83 17.617 -8.851 8.404 1.00 0.00 H new ATOM 0 HG1 THR A 83 17.634 -8.221 5.581 1.00 0.00 H new ATOM 0 HG21 THR A 83 18.664 -10.543 6.958 1.00 0.00 H new ATOM 0 HG22 THR A 83 17.117 -11.113 7.628 1.00 0.00 H new ATOM 0 HG23 THR A 83 17.206 -10.565 5.938 1.00 0.00 H new ATOM 1247 N GLU A 84 15.680 -7.233 9.299 1.00 0.00 N ATOM 1248 CA GLU A 84 15.379 -5.971 9.996 1.00 0.00 C ATOM 1249 C GLU A 84 16.034 -4.776 9.288 1.00 0.00 C ATOM 1250 O GLU A 84 15.457 -3.701 9.212 1.00 0.00 O ATOM 1251 CB GLU A 84 15.856 -6.033 11.430 1.00 0.00 C ATOM 1252 CG GLU A 84 15.463 -4.817 12.255 1.00 0.00 C ATOM 1253 CD GLU A 84 13.968 -4.671 12.405 1.00 0.00 C ATOM 1254 OE1 GLU A 84 13.366 -5.463 13.152 1.00 0.00 O ATOM 1255 OE2 GLU A 84 13.378 -3.768 11.782 1.00 0.00 O ATOM 0 H GLU A 84 16.110 -7.945 9.889 1.00 0.00 H new ATOM 0 HA GLU A 84 14.298 -5.834 9.980 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.450 -6.928 11.901 1.00 0.00 H new ATOM 0 HB3 GLU A 84 16.941 -6.133 11.439 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.917 -4.892 13.243 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.866 -3.919 11.786 1.00 0.00 H new ATOM 1262 N LYS A 85 17.227 -4.996 8.761 1.00 0.00 N ATOM 1263 CA LYS A 85 17.975 -3.989 7.997 1.00 0.00 C ATOM 1264 C LYS A 85 17.109 -3.447 6.865 1.00 0.00 C ATOM 1265 O LYS A 85 17.012 -2.243 6.634 1.00 0.00 O ATOM 1266 CB LYS A 85 19.174 -4.675 7.349 1.00 0.00 C ATOM 1267 CG LYS A 85 19.985 -3.781 6.425 1.00 0.00 C ATOM 1268 CD LYS A 85 20.875 -4.612 5.509 1.00 0.00 C ATOM 1269 CE LYS A 85 21.890 -5.444 6.287 1.00 0.00 C ATOM 1270 NZ LYS A 85 22.674 -6.338 5.405 1.00 0.00 N ATOM 0 H LYS A 85 17.716 -5.887 8.848 1.00 0.00 H new ATOM 0 HA LYS A 85 18.276 -3.183 8.666 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.828 -5.054 8.134 1.00 0.00 H new ATOM 0 HB3 LYS A 85 18.822 -5.537 6.783 1.00 0.00 H new ATOM 0 HG2 LYS A 85 19.314 -3.166 5.826 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.599 -3.101 7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 85 20.254 -5.273 4.904 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.402 -3.951 4.820 1.00 0.00 H new ATOM 0 HE2 LYS A 85 22.568 -4.779 6.823 1.00 0.00 H new ATOM 0 HE3 LYS A 85 21.370 -6.041 7.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 23.350 -6.883 5.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 22.031 -6.991 4.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 23.192 -5.769 4.706 1.00 0.00 H new ATOM 1284 N GLU A 86 16.489 -4.364 6.193 1.00 0.00 N ATOM 1285 CA GLU A 86 15.696 -4.131 5.051 1.00 0.00 C ATOM 1286 C GLU A 86 14.357 -3.584 5.444 1.00 0.00 C ATOM 1287 O GLU A 86 13.877 -2.603 4.881 1.00 0.00 O ATOM 1288 CB GLU A 86 15.585 -5.453 4.365 1.00 0.00 C ATOM 1289 CG GLU A 86 16.909 -5.901 3.794 1.00 0.00 C ATOM 1290 CD GLU A 86 16.879 -7.260 3.196 1.00 0.00 C ATOM 1291 OE1 GLU A 86 16.855 -8.247 3.966 1.00 0.00 O ATOM 1292 OE2 GLU A 86 16.946 -7.376 1.955 1.00 0.00 O ATOM 0 H GLU A 86 16.532 -5.350 6.450 1.00 0.00 H new ATOM 0 HA GLU A 86 16.135 -3.387 4.386 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.222 -6.200 5.071 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.848 -5.387 3.565 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.225 -5.187 3.033 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.660 -5.879 4.584 1.00 0.00 H new ATOM 1299 N ILE A 87 13.782 -4.197 6.432 1.00 0.00 N ATOM 1300 CA ILE A 87 12.524 -3.786 6.964 1.00 0.00 C ATOM 1301 C ILE A 87 12.584 -2.321 7.463 1.00 0.00 C ATOM 1302 O ILE A 87 11.638 -1.554 7.263 1.00 0.00 O ATOM 1303 CB ILE A 87 12.076 -4.735 8.075 1.00 0.00 C ATOM 1304 CG1 ILE A 87 11.822 -6.138 7.512 1.00 0.00 C ATOM 1305 CG2 ILE A 87 10.849 -4.209 8.725 1.00 0.00 C ATOM 1306 CD1 ILE A 87 11.413 -7.154 8.557 1.00 0.00 C ATOM 0 H ILE A 87 14.183 -5.011 6.898 1.00 0.00 H new ATOM 0 HA ILE A 87 11.783 -3.829 6.166 1.00 0.00 H new ATOM 0 HB ILE A 87 12.869 -4.803 8.820 1.00 0.00 H new ATOM 0 HG12 ILE A 87 11.042 -6.078 6.753 1.00 0.00 H new ATOM 0 HG13 ILE A 87 12.726 -6.488 7.014 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.535 -4.891 9.516 1.00 0.00 H new ATOM 0 HG22 ILE A 87 11.056 -3.228 9.152 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.054 -4.122 7.985 1.00 0.00 H new ATOM 0 HD11 ILE A 87 11.252 -8.121 8.081 1.00 0.00 H new ATOM 0 HD12 ILE A 87 12.201 -7.245 9.304 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.491 -6.829 9.039 1.00 0.00 H new ATOM 1318 N ASN A 88 13.703 -1.941 8.089 1.00 0.00 N ATOM 1319 CA ASN A 88 13.949 -0.540 8.506 1.00 0.00 C ATOM 1320 C ASN A 88 13.723 0.467 7.392 1.00 0.00 C ATOM 1321 O ASN A 88 13.253 1.582 7.635 1.00 0.00 O ATOM 1322 CB ASN A 88 15.351 -0.363 9.044 1.00 0.00 C ATOM 1323 CG ASN A 88 15.424 -0.457 10.548 1.00 0.00 C ATOM 1324 OD1 ASN A 88 15.348 0.551 11.244 1.00 0.00 O ATOM 1325 ND2 ASN A 88 15.556 -1.636 11.063 1.00 0.00 N ATOM 0 H ASN A 88 14.461 -2.582 8.323 1.00 0.00 H new ATOM 0 HA ASN A 88 13.219 -0.343 9.291 1.00 0.00 H new ATOM 0 HB2 ASN A 88 16.000 -1.122 8.607 1.00 0.00 H new ATOM 0 HB3 ASN A 88 15.736 0.607 8.727 1.00 0.00 H new ATOM 0 HD21 ASN A 88 15.600 -1.748 12.076 1.00 0.00 H new ATOM 0 HD22 ASN A 88 15.616 -2.454 10.456 1.00 0.00 H new ATOM 1332 N THR A 89 14.048 0.084 6.191 1.00 0.00 N ATOM 1333 CA THR A 89 13.843 0.918 5.042 1.00 0.00 C ATOM 1334 C THR A 89 12.337 1.175 4.799 1.00 0.00 C ATOM 1335 O THR A 89 11.924 2.293 4.491 1.00 0.00 O ATOM 1336 CB THR A 89 14.538 0.290 3.826 1.00 0.00 C ATOM 1337 OG1 THR A 89 15.959 0.351 4.017 1.00 0.00 O ATOM 1338 CG2 THR A 89 14.161 0.967 2.546 1.00 0.00 C ATOM 0 H THR A 89 14.466 -0.822 5.980 1.00 0.00 H new ATOM 0 HA THR A 89 14.291 1.896 5.218 1.00 0.00 H new ATOM 0 HB THR A 89 14.211 -0.747 3.746 1.00 0.00 H new ATOM 0 HG1 THR A 89 16.410 -0.050 3.245 1.00 0.00 H new ATOM 0 HG21 THR A 89 14.678 0.487 1.715 1.00 0.00 H new ATOM 0 HG22 THR A 89 13.084 0.890 2.397 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.446 2.018 2.593 1.00 0.00 H new ATOM 1346 N LEU A 90 11.543 0.156 5.004 1.00 0.00 N ATOM 1347 CA LEU A 90 10.098 0.231 4.867 1.00 0.00 C ATOM 1348 C LEU A 90 9.536 0.987 6.039 1.00 0.00 C ATOM 1349 O LEU A 90 8.594 1.724 5.911 1.00 0.00 O ATOM 1350 CB LEU A 90 9.538 -1.166 4.791 1.00 0.00 C ATOM 1351 CG LEU A 90 8.250 -1.439 5.533 1.00 0.00 C ATOM 1352 CD1 LEU A 90 7.032 -1.110 4.727 1.00 0.00 C ATOM 1353 CD2 LEU A 90 8.235 -2.821 6.102 1.00 0.00 C ATOM 0 H LEU A 90 11.881 -0.767 5.275 1.00 0.00 H new ATOM 0 HA LEU A 90 9.822 0.759 3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.380 -1.409 3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 90 10.296 -1.854 5.167 1.00 0.00 H new ATOM 0 HG LEU A 90 8.213 -0.754 6.380 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.139 -1.327 5.313 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.045 -0.052 4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.024 -1.711 3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.296 -2.987 6.630 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.331 -3.548 5.295 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.067 -2.938 6.797 1.00 0.00 H new ATOM 1365 N ASN A 91 10.135 0.762 7.188 1.00 0.00 N ATOM 1366 CA ASN A 91 9.825 1.498 8.415 1.00 0.00 C ATOM 1367 C ASN A 91 9.932 3.018 8.188 1.00 0.00 C ATOM 1368 O ASN A 91 9.178 3.807 8.778 1.00 0.00 O ATOM 1369 CB ASN A 91 10.757 1.057 9.542 1.00 0.00 C ATOM 1370 CG ASN A 91 10.395 -0.273 10.220 1.00 0.00 C ATOM 1371 OD1 ASN A 91 10.731 -0.490 11.382 1.00 0.00 O ATOM 1372 ND2 ASN A 91 9.686 -1.133 9.544 1.00 0.00 N ATOM 0 H ASN A 91 10.861 0.056 7.308 1.00 0.00 H new ATOM 0 HA ASN A 91 8.797 1.273 8.700 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.768 0.977 9.143 1.00 0.00 H new ATOM 0 HB3 ASN A 91 10.775 1.839 10.302 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.397 -2.010 9.978 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.420 -0.929 8.581 1.00 0.00 H new ATOM 1379 N ASP A 92 10.876 3.418 7.339 1.00 0.00 N ATOM 1380 CA ASP A 92 11.012 4.823 6.913 1.00 0.00 C ATOM 1381 C ASP A 92 9.798 5.221 6.090 1.00 0.00 C ATOM 1382 O ASP A 92 9.230 6.294 6.261 1.00 0.00 O ATOM 1383 CB ASP A 92 12.294 5.014 6.090 1.00 0.00 C ATOM 1384 CG ASP A 92 12.423 6.401 5.472 1.00 0.00 C ATOM 1385 OD1 ASP A 92 12.791 7.344 6.178 1.00 0.00 O ATOM 1386 OD2 ASP A 92 12.184 6.556 4.243 1.00 0.00 O ATOM 0 H ASP A 92 11.566 2.790 6.926 1.00 0.00 H new ATOM 0 HA ASP A 92 11.075 5.458 7.797 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.157 4.829 6.730 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.320 4.268 5.296 1.00 0.00 H new ATOM 1391 N TRP A 93 9.381 4.329 5.226 1.00 0.00 N ATOM 1392 CA TRP A 93 8.201 4.528 4.407 1.00 0.00 C ATOM 1393 C TRP A 93 6.934 4.574 5.241 1.00 0.00 C ATOM 1394 O TRP A 93 6.000 5.321 4.933 1.00 0.00 O ATOM 1395 CB TRP A 93 8.135 3.502 3.305 1.00 0.00 C ATOM 1396 CG TRP A 93 9.202 3.693 2.262 1.00 0.00 C ATOM 1397 CD1 TRP A 93 10.305 2.927 2.067 1.00 0.00 C ATOM 1398 CD2 TRP A 93 9.266 4.736 1.277 1.00 0.00 C ATOM 1399 NE1 TRP A 93 11.040 3.409 1.021 1.00 0.00 N ATOM 1400 CE2 TRP A 93 10.428 4.517 0.519 1.00 0.00 C ATOM 1401 CE3 TRP A 93 8.453 5.824 0.962 1.00 0.00 C ATOM 1402 CZ2 TRP A 93 10.796 5.344 -0.534 1.00 0.00 C ATOM 1403 CZ3 TRP A 93 8.818 6.644 -0.084 1.00 0.00 C ATOM 1404 CH2 TRP A 93 9.977 6.401 -0.821 1.00 0.00 C ATOM 0 H TRP A 93 9.850 3.438 5.067 1.00 0.00 H new ATOM 0 HA TRP A 93 8.282 5.505 3.931 1.00 0.00 H new ATOM 0 HB2 TRP A 93 8.231 2.506 3.737 1.00 0.00 H new ATOM 0 HB3 TRP A 93 7.156 3.550 2.829 1.00 0.00 H new ATOM 0 HD1 TRP A 93 10.565 2.059 2.655 1.00 0.00 H new ATOM 0 HE1 TRP A 93 11.908 3.004 0.672 1.00 0.00 H new ATOM 0 HE3 TRP A 93 7.554 6.021 1.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 11.694 5.160 -1.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 8.196 7.490 -0.337 1.00 0.00 H new ATOM 0 HH2 TRP A 93 10.233 7.062 -1.636 1.00 0.00 H new ATOM 1415 N GLU A 94 6.937 3.842 6.342 1.00 0.00 N ATOM 1416 CA GLU A 94 5.849 3.863 7.321 1.00 0.00 C ATOM 1417 C GLU A 94 5.916 5.134 8.160 1.00 0.00 C ATOM 1418 O GLU A 94 5.299 5.238 9.212 1.00 0.00 O ATOM 1419 CB GLU A 94 5.934 2.658 8.228 1.00 0.00 C ATOM 1420 CG GLU A 94 5.785 1.367 7.499 1.00 0.00 C ATOM 1421 CD GLU A 94 5.788 0.195 8.407 1.00 0.00 C ATOM 1422 OE1 GLU A 94 4.710 -0.151 8.928 1.00 0.00 O ATOM 1423 OE2 GLU A 94 6.847 -0.416 8.612 1.00 0.00 O ATOM 0 H GLU A 94 7.698 3.209 6.589 1.00 0.00 H new ATOM 0 HA GLU A 94 4.903 3.839 6.780 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.893 2.667 8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.159 2.729 8.991 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.854 1.380 6.932 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.596 1.265 6.778 1.00 0.00 H new ATOM 1430 N THR A 95 6.682 6.063 7.694 1.00 0.00 N ATOM 1431 CA THR A 95 6.791 7.358 8.282 1.00 0.00 C ATOM 1432 C THR A 95 6.427 8.402 7.219 1.00 0.00 C ATOM 1433 O THR A 95 5.756 9.384 7.495 1.00 0.00 O ATOM 1434 CB THR A 95 8.241 7.598 8.760 1.00 0.00 C ATOM 1435 OG1 THR A 95 8.628 6.529 9.648 1.00 0.00 O ATOM 1436 CG2 THR A 95 8.370 8.931 9.490 1.00 0.00 C ATOM 0 H THR A 95 7.268 5.939 6.868 1.00 0.00 H new ATOM 0 HA THR A 95 6.120 7.435 9.137 1.00 0.00 H new ATOM 0 HB THR A 95 8.892 7.623 7.886 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.757 5.706 9.132 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.401 9.070 9.814 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.088 9.742 8.819 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.713 8.934 10.360 1.00 0.00 H new ATOM 1444 N LYS A 96 6.828 8.128 5.983 1.00 0.00 N ATOM 1445 CA LYS A 96 6.667 9.059 4.887 1.00 0.00 C ATOM 1446 C LYS A 96 5.239 9.068 4.448 1.00 0.00 C ATOM 1447 O LYS A 96 4.639 10.115 4.249 1.00 0.00 O ATOM 1448 CB LYS A 96 7.598 8.654 3.747 1.00 0.00 C ATOM 1449 CG LYS A 96 9.062 8.624 4.167 1.00 0.00 C ATOM 1450 CD LYS A 96 9.586 10.012 4.492 1.00 0.00 C ATOM 1451 CE LYS A 96 11.006 9.959 5.031 1.00 0.00 C ATOM 1452 NZ LYS A 96 11.942 9.292 4.106 1.00 0.00 N ATOM 0 H LYS A 96 7.274 7.250 5.718 1.00 0.00 H new ATOM 0 HA LYS A 96 6.929 10.068 5.204 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.309 7.669 3.380 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.476 9.352 2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.177 7.979 5.038 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.660 8.188 3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.559 10.631 3.596 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.934 10.485 5.226 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.355 10.973 5.225 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.008 9.433 5.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.915 9.402 4.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.708 8.280 4.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.864 9.723 3.163 1.00 0.00 H new ATOM 1466 N PHE A 97 4.690 7.888 4.346 1.00 0.00 N ATOM 1467 CA PHE A 97 3.313 7.707 4.005 1.00 0.00 C ATOM 1468 C PHE A 97 2.421 8.029 5.185 1.00 0.00 C ATOM 1469 O PHE A 97 1.389 8.660 5.039 1.00 0.00 O ATOM 1470 CB PHE A 97 3.071 6.270 3.582 1.00 0.00 C ATOM 1471 CG PHE A 97 3.519 5.897 2.191 1.00 0.00 C ATOM 1472 CD1 PHE A 97 4.815 5.487 1.938 1.00 0.00 C ATOM 1473 CD2 PHE A 97 2.621 5.937 1.139 1.00 0.00 C ATOM 1474 CE1 PHE A 97 5.203 5.130 0.660 1.00 0.00 C ATOM 1475 CE2 PHE A 97 3.003 5.580 -0.136 1.00 0.00 C ATOM 1476 CZ PHE A 97 4.296 5.177 -0.377 1.00 0.00 C ATOM 0 H PHE A 97 5.197 7.016 4.500 1.00 0.00 H new ATOM 0 HA PHE A 97 3.075 8.383 3.183 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.577 5.615 4.291 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.004 6.065 3.664 1.00 0.00 H new ATOM 0 HD1 PHE A 97 5.531 5.445 2.746 1.00 0.00 H new ATOM 0 HD2 PHE A 97 1.604 6.253 1.320 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.219 4.814 0.474 1.00 0.00 H new ATOM 0 HE2 PHE A 97 2.288 5.617 -0.945 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.600 4.898 -1.375 1.00 0.00 H new ATOM 1486 N GLU A 98 2.864 7.630 6.353 1.00 0.00 N ATOM 1487 CA GLU A 98 2.083 7.738 7.584 1.00 0.00 C ATOM 1488 C GLU A 98 1.832 9.206 7.978 1.00 0.00 C ATOM 1489 O GLU A 98 0.839 9.530 8.627 1.00 0.00 O ATOM 1490 CB GLU A 98 2.820 6.996 8.694 1.00 0.00 C ATOM 1491 CG GLU A 98 1.975 6.008 9.496 1.00 0.00 C ATOM 1492 CD GLU A 98 0.849 6.655 10.253 1.00 0.00 C ATOM 1493 OE1 GLU A 98 1.104 7.194 11.346 1.00 0.00 O ATOM 1494 OE2 GLU A 98 -0.297 6.636 9.777 1.00 0.00 O ATOM 0 H GLU A 98 3.786 7.215 6.488 1.00 0.00 H new ATOM 0 HA GLU A 98 1.104 7.288 7.422 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.658 6.456 8.253 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.240 7.730 9.382 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.563 5.261 8.818 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.619 5.480 10.200 1.00 0.00 H new ATOM 1501 N ALA A 99 2.703 10.090 7.553 1.00 0.00 N ATOM 1502 CA ALA A 99 2.584 11.487 7.894 1.00 0.00 C ATOM 1503 C ALA A 99 1.995 12.252 6.750 1.00 0.00 C ATOM 1504 O ALA A 99 1.876 13.484 6.803 1.00 0.00 O ATOM 1505 CB ALA A 99 3.948 12.052 8.173 1.00 0.00 C ATOM 0 H ALA A 99 3.507 9.864 6.967 1.00 0.00 H new ATOM 0 HA ALA A 99 1.942 11.574 8.771 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.859 13.107 8.431 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.402 11.513 9.004 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.574 11.946 7.287 1.00 0.00 H new ATOM 1511 N LYS A 100 1.621 11.560 5.719 1.00 0.00 N ATOM 1512 CA LYS A 100 1.225 12.241 4.542 1.00 0.00 C ATOM 1513 C LYS A 100 -0.138 11.777 4.087 1.00 0.00 C ATOM 1514 O LYS A 100 -0.926 12.562 3.571 1.00 0.00 O ATOM 1515 CB LYS A 100 2.260 11.972 3.472 1.00 0.00 C ATOM 1516 CG LYS A 100 2.285 12.913 2.285 1.00 0.00 C ATOM 1517 CD LYS A 100 2.849 14.309 2.626 1.00 0.00 C ATOM 1518 CE LYS A 100 1.840 15.276 3.269 1.00 0.00 C ATOM 1519 NZ LYS A 100 0.663 15.529 2.401 1.00 0.00 N ATOM 0 H LYS A 100 1.584 10.542 5.674 1.00 0.00 H new ATOM 0 HA LYS A 100 1.157 13.311 4.739 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.244 11.992 3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 100 2.105 10.960 3.098 1.00 0.00 H new ATOM 0 HG2 LYS A 100 2.886 12.470 1.491 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.273 13.023 1.895 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.695 14.188 3.302 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.233 14.763 1.712 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.504 14.865 4.221 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.336 16.222 3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.157 16.372 2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.980 15.685 1.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.026 14.707 2.431 1.00 0.00 H new ATOM 1533 N TYR A 101 -0.404 10.514 4.273 1.00 0.00 N ATOM 1534 CA TYR A 101 -1.645 9.922 3.860 1.00 0.00 C ATOM 1535 C TYR A 101 -2.324 9.317 5.075 1.00 0.00 C ATOM 1536 O TYR A 101 -1.648 8.847 5.995 1.00 0.00 O ATOM 1537 CB TYR A 101 -1.375 8.832 2.821 1.00 0.00 C ATOM 1538 CG TYR A 101 -0.505 9.281 1.666 1.00 0.00 C ATOM 1539 CD1 TYR A 101 -0.994 10.101 0.657 1.00 0.00 C ATOM 1540 CD2 TYR A 101 0.816 8.888 1.603 1.00 0.00 C ATOM 1541 CE1 TYR A 101 -0.178 10.510 -0.384 1.00 0.00 C ATOM 1542 CE2 TYR A 101 1.634 9.287 0.577 1.00 0.00 C ATOM 1543 CZ TYR A 101 1.139 10.095 -0.413 1.00 0.00 C ATOM 1544 OH TYR A 101 1.965 10.485 -1.436 1.00 0.00 O ATOM 0 H TYR A 101 0.240 9.861 4.719 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.289 10.681 3.416 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -0.897 7.985 3.314 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -2.327 8.476 2.428 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.024 10.424 0.685 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.215 8.252 2.379 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -0.567 11.147 -1.165 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.665 8.966 0.549 1.00 0.00 H new ATOM 0 HH TYR A 101 2.317 9.692 -1.893 1.00 0.00 H new ATOM 1554 N PRO A 102 -3.644 9.362 5.129 1.00 0.00 N ATOM 1555 CA PRO A 102 -4.408 8.802 6.231 1.00 0.00 C ATOM 1556 C PRO A 102 -4.631 7.297 6.082 1.00 0.00 C ATOM 1557 O PRO A 102 -4.828 6.783 4.962 1.00 0.00 O ATOM 1558 CB PRO A 102 -5.743 9.529 6.104 1.00 0.00 C ATOM 1559 CG PRO A 102 -5.904 9.710 4.640 1.00 0.00 C ATOM 1560 CD PRO A 102 -4.527 10.003 4.127 1.00 0.00 C ATOM 0 HA PRO A 102 -3.903 8.927 7.189 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.560 8.945 6.528 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.730 10.485 6.627 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.315 8.814 4.175 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.590 10.528 4.417 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.372 9.588 3.131 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.344 11.075 4.057 1.00 0.00 H new ATOM 1568 N VAL A 103 -4.582 6.594 7.189 1.00 0.00 N ATOM 1569 CA VAL A 103 -4.925 5.185 7.196 1.00 0.00 C ATOM 1570 C VAL A 103 -6.430 5.087 7.130 1.00 0.00 C ATOM 1571 O VAL A 103 -7.119 5.281 8.132 1.00 0.00 O ATOM 1572 CB VAL A 103 -4.425 4.420 8.465 1.00 0.00 C ATOM 1573 CG1 VAL A 103 -4.865 2.961 8.415 1.00 0.00 C ATOM 1574 CG2 VAL A 103 -2.922 4.489 8.592 1.00 0.00 C ATOM 0 H VAL A 103 -4.309 6.971 8.097 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.432 4.718 6.343 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.868 4.903 9.336 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.509 2.443 9.305 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -5.953 2.910 8.376 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -4.448 2.485 7.527 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.607 3.948 9.484 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.462 4.039 7.713 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.611 5.531 8.671 1.00 0.00 H new ATOM 1584 N VAL A 104 -6.937 4.845 5.964 1.00 0.00 N ATOM 1585 CA VAL A 104 -8.359 4.780 5.783 1.00 0.00 C ATOM 1586 C VAL A 104 -8.929 3.452 6.263 1.00 0.00 C ATOM 1587 O VAL A 104 -9.893 3.423 7.030 1.00 0.00 O ATOM 1588 CB VAL A 104 -8.801 5.114 4.323 1.00 0.00 C ATOM 1589 CG1 VAL A 104 -8.518 6.575 4.015 1.00 0.00 C ATOM 1590 CG2 VAL A 104 -8.075 4.237 3.317 1.00 0.00 C ATOM 0 H VAL A 104 -6.389 4.688 5.118 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.784 5.562 6.412 1.00 0.00 H new ATOM 0 HB VAL A 104 -9.871 4.922 4.244 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.829 6.799 2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.071 7.207 4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.450 6.769 4.119 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.403 4.492 2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.000 4.400 3.401 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.300 3.190 3.518 1.00 0.00 H new ATOM 1600 N GLY A 105 -8.303 2.372 5.880 1.00 0.00 N ATOM 1601 CA GLY A 105 -8.803 1.092 6.258 1.00 0.00 C ATOM 1602 C GLY A 105 -7.748 0.031 6.231 1.00 0.00 C ATOM 1603 O GLY A 105 -6.589 0.284 6.587 1.00 0.00 O ATOM 0 H GLY A 105 -7.455 2.359 5.313 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.226 1.153 7.261 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -9.614 0.810 5.586 1.00 0.00 H new ATOM 1607 N ARG A 106 -8.122 -1.133 5.779 1.00 0.00 N ATOM 1608 CA ARG A 106 -7.235 -2.275 5.771 1.00 0.00 C ATOM 1609 C ARG A 106 -7.309 -3.021 4.502 1.00 0.00 C ATOM 1610 O ARG A 106 -8.273 -2.915 3.757 1.00 0.00 O ATOM 1611 CB ARG A 106 -7.619 -3.287 6.826 1.00 0.00 C ATOM 1612 CG ARG A 106 -9.061 -3.723 6.761 1.00 0.00 C ATOM 1613 CD ARG A 106 -9.268 -4.912 7.631 1.00 0.00 C ATOM 1614 NE ARG A 106 -8.909 -4.671 9.032 1.00 0.00 N ATOM 1615 CZ ARG A 106 -8.787 -5.629 9.964 1.00 0.00 C ATOM 1616 NH1 ARG A 106 -8.944 -6.914 9.634 1.00 0.00 N ATOM 1617 NH2 ARG A 106 -8.501 -5.302 11.220 1.00 0.00 N ATOM 0 H ARG A 106 -9.051 -1.323 5.404 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.243 -1.858 5.941 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.980 -4.164 6.723 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.422 -2.863 7.811 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.711 -2.909 7.081 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -9.332 -3.962 5.733 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.313 -5.216 7.577 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.675 -5.742 7.248 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.740 -3.707 9.319 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.158 -7.171 8.670 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -8.850 -7.638 10.346 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -8.374 -4.323 11.476 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -8.408 -6.030 11.928 1.00 0.00 H new ATOM 1631 N VAL A 107 -6.299 -3.778 4.269 1.00 0.00 N ATOM 1632 CA VAL A 107 -6.331 -4.740 3.272 1.00 0.00 C ATOM 1633 C VAL A 107 -6.178 -6.090 3.946 1.00 0.00 C ATOM 1634 O VAL A 107 -5.352 -6.268 4.843 1.00 0.00 O ATOM 1635 CB VAL A 107 -5.293 -4.555 2.151 1.00 0.00 C ATOM 1636 CG1 VAL A 107 -3.885 -4.741 2.633 1.00 0.00 C ATOM 1637 CG2 VAL A 107 -5.612 -5.484 1.037 1.00 0.00 C ATOM 0 H VAL A 107 -5.420 -3.732 4.784 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.285 -4.650 2.752 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.352 -3.526 1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.194 -4.599 1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.668 -4.012 3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.768 -5.748 3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.881 -5.359 0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.581 -6.511 1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.609 -5.264 0.654 1.00 0.00 H new ATOM 1647 N VAL A 108 -6.996 -6.983 3.563 1.00 0.00 N ATOM 1648 CA VAL A 108 -7.073 -8.273 4.137 1.00 0.00 C ATOM 1649 C VAL A 108 -6.761 -9.298 3.101 1.00 0.00 C ATOM 1650 O VAL A 108 -7.029 -9.098 1.917 1.00 0.00 O ATOM 1651 CB VAL A 108 -8.462 -8.499 4.766 1.00 0.00 C ATOM 1652 CG1 VAL A 108 -8.661 -7.449 5.768 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -9.543 -8.330 3.773 1.00 0.00 C ATOM 0 H VAL A 108 -7.664 -6.835 2.806 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.338 -8.363 4.937 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.497 -9.509 5.175 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -9.637 -7.575 6.238 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.881 -7.518 6.527 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -8.613 -6.472 5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -10.507 -8.497 4.253 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -9.510 -7.319 3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -9.411 -9.049 2.965 1.00 0.00 H new ATOM 1663 N SER A 109 -6.147 -10.334 3.507 1.00 0.00 N ATOM 1664 CA SER A 109 -5.738 -11.340 2.617 1.00 0.00 C ATOM 1665 C SER A 109 -5.879 -12.687 3.317 1.00 0.00 C ATOM 1666 O SER A 109 -4.902 -13.173 3.919 1.00 0.00 O ATOM 1667 CB SER A 109 -4.293 -11.029 2.210 1.00 0.00 C ATOM 1668 OG SER A 109 -3.740 -11.988 1.321 1.00 0.00 O ATOM 1669 OXT SER A 109 -7.002 -13.240 3.311 1.00 0.00 O ATOM 0 H SER A 109 -5.910 -10.511 4.483 1.00 0.00 H new ATOM 0 HA SER A 109 -6.348 -11.379 1.714 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.259 -10.046 1.740 1.00 0.00 H new ATOM 0 HB3 SER A 109 -3.674 -10.975 3.106 1.00 0.00 H new ATOM 0 HG SER A 109 -2.820 -11.735 1.098 1.00 0.00 H new