USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=30 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 67 LYS NZ :NH3+ 172:sc= -1.55! (180deg=-2.11!) USER MOD Set 1.2: A 69 SER OG : rot -160:sc= -0.0261 USER MOD Set 2.1: A 13 THR OG1 : rot 126:sc= 0.0138 USER MOD Set 2.2: A 16 GLN :FLIP amide:sc= -2.21! C(o=-3.8!,f=-2.2!) USER MOD Single : A 18 SER OG : rot -25:sc= 0.701 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 1.65 K(o=1.7,f=-14!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 9:sc= 1.18 USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 1.13 (180deg=1.02) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -27:sc= 1.02 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 105:sc= 1.35 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0628) USER MOD Single : A 62 SER OG : rot 70:sc= -2.17! USER MOD Single : A 68 MET CE :methyl 157:sc= -0.151 (180deg=-0.796) USER MOD Single : A 70 LYS NZ :NH3+ -162:sc= 0.31 (180deg=-0.0165!) USER MOD Single : A 71 ASN : amide:sc= -3.94! C(o=-3.9!,f=-3.6!) USER MOD Single : A 76 SER OG : rot 180:sc= -0.418 USER MOD Single : A 78 SER OG : rot 180:sc= 0.275 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 85 LYS NZ :NH3+ 129:sc= -0.0527 (180deg=-0.415) USER MOD Single : A 88 ASN : amide:sc= 1 K(o=1,f=-0.14) USER MOD Single : A 89 THR OG1 : rot 67:sc= 1.31 USER MOD Single : A 91 ASN : amide:sc= -0.753 X(o=-0.75,f=-0.94) USER MOD Single : A 95 THR OG1 : rot 92:sc= 1.24 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 165:sc= -0.0322 (180deg=-0.256) USER MOD Single : A 101 TYR OH : rot 180:sc= -0.238 USER MOD Single : A 109 SER OG : rot 43:sc= 0.641 USER MOD ----------------------------------------------------------------- ATOM 135 N LEU A 9 -11.802 2.530 9.435 1.00 0.00 N ATOM 136 CA LEU A 9 -11.156 1.612 8.526 1.00 0.00 C ATOM 137 C LEU A 9 -12.204 0.756 7.855 1.00 0.00 C ATOM 138 O LEU A 9 -13.323 0.621 8.356 1.00 0.00 O ATOM 139 CB LEU A 9 -10.089 0.691 9.264 1.00 0.00 C ATOM 140 CG LEU A 9 -10.562 -0.527 10.144 1.00 0.00 C ATOM 141 CD1 LEU A 9 -11.598 -0.158 11.166 1.00 0.00 C ATOM 142 CD2 LEU A 9 -10.987 -1.746 9.304 1.00 0.00 C ATOM 0 HA LEU A 9 -10.616 2.197 7.781 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.420 0.296 8.499 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.492 1.339 9.905 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.678 -0.829 10.706 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.878 -1.044 11.736 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.191 0.595 11.841 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.478 0.243 10.663 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.302 -2.552 9.966 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.815 -1.468 8.652 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.145 -2.082 8.699 1.00 0.00 H new ATOM 154 N GLU A 10 -11.851 0.212 6.741 1.00 0.00 N ATOM 155 CA GLU A 10 -12.637 -0.778 6.083 1.00 0.00 C ATOM 156 C GLU A 10 -11.694 -1.862 5.603 1.00 0.00 C ATOM 157 O GLU A 10 -10.513 -1.588 5.345 1.00 0.00 O ATOM 158 CB GLU A 10 -13.445 -0.180 4.930 1.00 0.00 C ATOM 159 CG GLU A 10 -14.266 -1.201 4.141 1.00 0.00 C ATOM 160 CD GLU A 10 -15.241 -2.001 4.993 1.00 0.00 C ATOM 161 OE1 GLU A 10 -14.843 -3.046 5.562 1.00 0.00 O ATOM 162 OE2 GLU A 10 -16.401 -1.623 5.086 1.00 0.00 O ATOM 0 H GLU A 10 -10.988 0.448 6.250 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.369 -1.197 6.773 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.118 0.580 5.329 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.762 0.326 4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.823 -0.680 3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.586 -1.890 3.641 1.00 0.00 H new ATOM 169 N GLU A 11 -12.175 -3.062 5.530 1.00 0.00 N ATOM 170 CA GLU A 11 -11.412 -4.141 5.077 1.00 0.00 C ATOM 171 C GLU A 11 -11.373 -4.208 3.586 1.00 0.00 C ATOM 172 O GLU A 11 -12.409 -4.251 2.905 1.00 0.00 O ATOM 173 CB GLU A 11 -11.904 -5.455 5.630 1.00 0.00 C ATOM 174 CG GLU A 11 -11.203 -6.634 4.988 1.00 0.00 C ATOM 175 CD GLU A 11 -11.598 -7.943 5.563 1.00 0.00 C ATOM 176 OE1 GLU A 11 -11.273 -8.215 6.729 1.00 0.00 O ATOM 177 OE2 GLU A 11 -12.271 -8.722 4.865 1.00 0.00 O ATOM 0 H GLU A 11 -13.130 -3.306 5.793 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.400 -3.969 5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.742 -5.479 6.708 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.979 -5.538 5.467 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.418 -6.636 3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.126 -6.509 5.096 1.00 0.00 H new ATOM 184 N PHE A 12 -10.200 -4.200 3.092 1.00 0.00 N ATOM 185 CA PHE A 12 -9.956 -4.423 1.745 1.00 0.00 C ATOM 186 C PHE A 12 -9.148 -5.666 1.617 1.00 0.00 C ATOM 187 O PHE A 12 -8.219 -5.864 2.360 1.00 0.00 O ATOM 188 CB PHE A 12 -9.170 -3.296 1.161 1.00 0.00 C ATOM 189 CG PHE A 12 -9.866 -1.959 1.130 1.00 0.00 C ATOM 190 CD1 PHE A 12 -10.717 -1.627 0.096 1.00 0.00 C ATOM 191 CD2 PHE A 12 -9.655 -1.029 2.142 1.00 0.00 C ATOM 192 CE1 PHE A 12 -11.347 -0.395 0.066 1.00 0.00 C ATOM 193 CE2 PHE A 12 -10.283 0.200 2.119 1.00 0.00 C ATOM 194 CZ PHE A 12 -11.131 0.517 1.078 1.00 0.00 C ATOM 0 H PHE A 12 -9.359 -4.031 3.643 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.907 -4.508 1.219 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.245 -3.190 1.728 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.890 -3.563 0.142 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.894 -2.336 -0.699 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.990 -1.272 2.958 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.009 -0.147 -0.751 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.111 0.911 2.913 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.625 1.477 1.055 1.00 0.00 H new ATOM 204 N THR A 13 -9.497 -6.514 0.721 1.00 0.00 N ATOM 205 CA THR A 13 -8.685 -7.658 0.494 1.00 0.00 C ATOM 206 C THR A 13 -7.758 -7.323 -0.683 1.00 0.00 C ATOM 207 O THR A 13 -8.116 -6.493 -1.508 1.00 0.00 O ATOM 208 CB THR A 13 -9.543 -8.878 0.203 1.00 0.00 C ATOM 209 OG1 THR A 13 -10.595 -8.947 1.182 1.00 0.00 O ATOM 210 CG2 THR A 13 -8.720 -10.125 0.317 1.00 0.00 C ATOM 0 H THR A 13 -10.330 -6.443 0.137 1.00 0.00 H new ATOM 0 HA THR A 13 -8.096 -7.902 1.378 1.00 0.00 H new ATOM 0 HB THR A 13 -9.950 -8.796 -0.805 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.462 -9.003 0.728 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.344 -10.993 0.107 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.899 -10.086 -0.399 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.317 -10.204 1.327 1.00 0.00 H new ATOM 218 N ALA A 14 -6.604 -7.955 -0.760 1.00 0.00 N ATOM 219 CA ALA A 14 -5.561 -7.575 -1.751 1.00 0.00 C ATOM 220 C ALA A 14 -6.043 -7.667 -3.190 1.00 0.00 C ATOM 221 O ALA A 14 -5.832 -6.745 -3.978 1.00 0.00 O ATOM 222 CB ALA A 14 -4.274 -8.357 -1.550 1.00 0.00 C ATOM 0 H ALA A 14 -6.345 -8.736 -0.158 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.345 -6.523 -1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.540 -8.048 -2.295 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.882 -8.162 -0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.475 -9.423 -1.659 1.00 0.00 H new ATOM 228 N GLU A 15 -6.709 -8.754 -3.516 1.00 0.00 N ATOM 229 CA GLU A 15 -7.263 -8.959 -4.853 1.00 0.00 C ATOM 230 C GLU A 15 -8.258 -7.841 -5.225 1.00 0.00 C ATOM 231 O GLU A 15 -8.303 -7.370 -6.358 1.00 0.00 O ATOM 232 CB GLU A 15 -7.917 -10.343 -4.935 1.00 0.00 C ATOM 233 CG GLU A 15 -8.969 -10.606 -3.866 1.00 0.00 C ATOM 234 CD GLU A 15 -9.567 -11.977 -3.976 1.00 0.00 C ATOM 235 OE1 GLU A 15 -8.991 -12.934 -3.419 1.00 0.00 O ATOM 236 OE2 GLU A 15 -10.616 -12.116 -4.628 1.00 0.00 O ATOM 0 H GLU A 15 -6.886 -9.523 -2.870 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.451 -8.915 -5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.378 -10.456 -5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.140 -11.104 -4.858 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.519 -10.487 -2.880 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.760 -9.860 -3.947 1.00 0.00 H new ATOM 243 N GLN A 16 -9.011 -7.414 -4.245 1.00 0.00 N ATOM 244 CA GLN A 16 -9.990 -6.361 -4.383 1.00 0.00 C ATOM 245 C GLN A 16 -9.337 -4.989 -4.426 1.00 0.00 C ATOM 246 O GLN A 16 -9.832 -4.063 -5.083 1.00 0.00 O ATOM 247 CB GLN A 16 -10.955 -6.463 -3.237 1.00 0.00 C ATOM 248 CG GLN A 16 -11.953 -7.580 -3.401 1.00 0.00 C ATOM 249 CD GLN A 16 -12.468 -8.026 -2.093 1.00 0.00 C ATOM 250 OE1 GLN A 16 -11.838 -9.031 -1.584 1.00 0.00 O flip ATOM 251 NE2 GLN A 16 -13.444 -7.501 -1.565 1.00 0.00 N flip ATOM 0 H GLN A 16 -8.961 -7.798 -3.301 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.519 -6.481 -5.328 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.397 -6.615 -2.313 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.490 -5.519 -3.135 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.780 -7.244 -4.026 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.484 -8.418 -3.916 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.902 -6.708 -2.014 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -13.797 -7.858 -0.677 1.00 0.00 H new ATOM 260 N LEU A 17 -8.223 -4.873 -3.725 1.00 0.00 N ATOM 261 CA LEU A 17 -7.479 -3.635 -3.600 1.00 0.00 C ATOM 262 C LEU A 17 -6.880 -3.285 -4.971 1.00 0.00 C ATOM 263 O LEU A 17 -6.785 -2.128 -5.342 1.00 0.00 O ATOM 264 CB LEU A 17 -6.344 -3.834 -2.554 1.00 0.00 C ATOM 265 CG LEU A 17 -5.757 -2.587 -1.816 1.00 0.00 C ATOM 266 CD1 LEU A 17 -5.257 -1.517 -2.711 1.00 0.00 C ATOM 267 CD2 LEU A 17 -6.722 -2.029 -0.837 1.00 0.00 C ATOM 0 H LEU A 17 -7.803 -5.652 -3.218 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.130 -2.825 -3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.716 -4.520 -1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.518 -4.335 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.883 -2.968 -1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.869 -0.693 -2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.461 -1.913 -3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.072 -1.157 -3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.280 -1.164 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.632 -1.726 -1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.964 -2.787 -0.092 1.00 0.00 H new ATOM 279 N SER A 18 -6.537 -4.315 -5.728 1.00 0.00 N ATOM 280 CA SER A 18 -5.886 -4.186 -7.033 1.00 0.00 C ATOM 281 C SER A 18 -6.702 -3.426 -8.103 1.00 0.00 C ATOM 282 O SER A 18 -6.212 -3.188 -9.217 1.00 0.00 O ATOM 283 CB SER A 18 -5.469 -5.556 -7.519 1.00 0.00 C ATOM 284 OG SER A 18 -4.576 -6.145 -6.587 1.00 0.00 O ATOM 0 H SER A 18 -6.704 -5.283 -5.453 1.00 0.00 H new ATOM 0 HA SER A 18 -5.011 -3.555 -6.879 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.347 -6.190 -7.646 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.990 -5.476 -8.495 1.00 0.00 H new ATOM 0 HG SER A 18 -4.120 -5.441 -6.081 1.00 0.00 H new ATOM 290 N GLN A 19 -7.913 -3.043 -7.780 1.00 0.00 N ATOM 291 CA GLN A 19 -8.715 -2.266 -8.697 1.00 0.00 C ATOM 292 C GLN A 19 -8.591 -0.772 -8.381 1.00 0.00 C ATOM 293 O GLN A 19 -9.032 0.075 -9.149 1.00 0.00 O ATOM 294 CB GLN A 19 -10.174 -2.711 -8.676 1.00 0.00 C ATOM 295 CG GLN A 19 -10.375 -4.164 -9.078 1.00 0.00 C ATOM 296 CD GLN A 19 -11.834 -4.538 -9.210 1.00 0.00 C ATOM 297 OE1 GLN A 19 -12.422 -4.413 -10.285 1.00 0.00 O ATOM 298 NE2 GLN A 19 -12.427 -4.995 -8.140 1.00 0.00 N ATOM 0 H GLN A 19 -8.366 -3.255 -6.891 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.337 -2.438 -9.705 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.576 -2.561 -7.674 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.749 -2.074 -9.348 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.870 -4.347 -10.027 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.904 -4.810 -8.337 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.907 -5.084 -7.267 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.411 -5.263 -8.177 1.00 0.00 H new ATOM 307 N TYR A 20 -7.949 -0.470 -7.261 1.00 0.00 N ATOM 308 CA TYR A 20 -7.766 0.908 -6.794 1.00 0.00 C ATOM 309 C TYR A 20 -6.379 1.402 -7.171 1.00 0.00 C ATOM 310 O TYR A 20 -5.784 2.235 -6.488 1.00 0.00 O ATOM 311 CB TYR A 20 -7.912 0.968 -5.280 1.00 0.00 C ATOM 312 CG TYR A 20 -9.221 0.450 -4.756 1.00 0.00 C ATOM 313 CD1 TYR A 20 -10.433 1.032 -5.112 1.00 0.00 C ATOM 314 CD2 TYR A 20 -9.240 -0.612 -3.892 1.00 0.00 C ATOM 315 CE1 TYR A 20 -11.624 0.546 -4.609 1.00 0.00 C ATOM 316 CE2 TYR A 20 -10.412 -1.106 -3.388 1.00 0.00 C ATOM 317 CZ TYR A 20 -11.602 -0.529 -3.743 1.00 0.00 C ATOM 318 OH TYR A 20 -12.778 -1.037 -3.230 1.00 0.00 O ATOM 0 H TYR A 20 -7.537 -1.171 -6.645 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.523 1.537 -7.262 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -7.103 0.395 -4.827 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -7.790 2.002 -4.957 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -10.443 1.873 -5.789 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -8.307 -1.071 -3.601 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -12.562 1.002 -4.890 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -10.399 -1.948 -2.712 1.00 0.00 H new ATOM 0 HH TYR A 20 -12.578 -1.792 -2.639 1.00 0.00 H new ATOM 328 N ASN A 21 -5.888 0.906 -8.268 1.00 0.00 N ATOM 329 CA ASN A 21 -4.568 1.261 -8.759 1.00 0.00 C ATOM 330 C ASN A 21 -4.537 2.657 -9.409 1.00 0.00 C ATOM 331 O ASN A 21 -3.475 3.238 -9.602 1.00 0.00 O ATOM 332 CB ASN A 21 -4.038 0.190 -9.730 1.00 0.00 C ATOM 333 CG ASN A 21 -4.983 -0.102 -10.897 1.00 0.00 C ATOM 334 OD1 ASN A 21 -5.787 0.742 -11.310 1.00 0.00 O ATOM 335 ND2 ASN A 21 -4.890 -1.273 -11.445 1.00 0.00 N ATOM 0 H ASN A 21 -6.386 0.240 -8.858 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.908 1.302 -7.893 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.076 0.515 -10.126 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.861 -0.733 -9.178 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.488 -1.515 -12.235 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.219 -1.952 -11.086 1.00 0.00 H new ATOM 342 N GLY A 22 -5.706 3.168 -9.769 1.00 0.00 N ATOM 343 CA GLY A 22 -5.794 4.488 -10.374 1.00 0.00 C ATOM 344 C GLY A 22 -5.508 4.434 -11.846 1.00 0.00 C ATOM 345 O GLY A 22 -5.476 5.463 -12.539 1.00 0.00 O ATOM 0 H GLY A 22 -6.601 2.692 -9.653 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.790 4.900 -10.210 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.087 5.161 -9.889 1.00 0.00 H new ATOM 349 N THR A 23 -5.319 3.242 -12.317 1.00 0.00 N ATOM 350 CA THR A 23 -4.985 2.975 -13.659 1.00 0.00 C ATOM 351 C THR A 23 -6.248 2.558 -14.399 1.00 0.00 C ATOM 352 O THR A 23 -6.469 2.925 -15.544 1.00 0.00 O ATOM 353 CB THR A 23 -3.967 1.826 -13.684 1.00 0.00 C ATOM 354 OG1 THR A 23 -2.826 2.174 -12.876 1.00 0.00 O ATOM 355 CG2 THR A 23 -3.519 1.524 -15.080 1.00 0.00 C ATOM 0 H THR A 23 -5.399 2.402 -11.745 1.00 0.00 H new ATOM 0 HA THR A 23 -4.557 3.857 -14.136 1.00 0.00 H new ATOM 0 HB THR A 23 -4.451 0.936 -13.282 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.178 1.439 -12.892 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.799 0.706 -15.062 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.380 1.237 -15.684 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.052 2.409 -15.512 1.00 0.00 H new ATOM 363 N ASP A 24 -7.084 1.820 -13.713 1.00 0.00 N ATOM 364 CA ASP A 24 -8.312 1.334 -14.287 1.00 0.00 C ATOM 365 C ASP A 24 -9.461 2.256 -14.020 1.00 0.00 C ATOM 366 O ASP A 24 -9.857 2.432 -12.858 1.00 0.00 O ATOM 367 CB ASP A 24 -8.691 -0.026 -13.728 1.00 0.00 C ATOM 368 CG ASP A 24 -7.734 -1.150 -14.094 1.00 0.00 C ATOM 369 OD1 ASP A 24 -7.890 -1.734 -15.184 1.00 0.00 O ATOM 370 OD2 ASP A 24 -6.837 -1.485 -13.288 1.00 0.00 O ATOM 0 H ASP A 24 -6.933 1.540 -12.744 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.126 1.269 -15.359 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.748 0.045 -12.642 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.688 -0.285 -14.084 1.00 0.00 H new ATOM 375 N GLU A 25 -9.988 2.854 -15.086 1.00 0.00 N ATOM 376 CA GLU A 25 -11.242 3.646 -15.060 1.00 0.00 C ATOM 377 C GLU A 25 -11.169 4.830 -14.089 1.00 0.00 C ATOM 378 O GLU A 25 -12.205 5.317 -13.631 1.00 0.00 O ATOM 379 CB GLU A 25 -12.385 2.727 -14.637 1.00 0.00 C ATOM 380 CG GLU A 25 -12.526 1.479 -15.480 1.00 0.00 C ATOM 381 CD GLU A 25 -13.539 0.543 -14.907 1.00 0.00 C ATOM 382 OE1 GLU A 25 -13.205 -0.184 -13.942 1.00 0.00 O ATOM 383 OE2 GLU A 25 -14.684 0.528 -15.381 1.00 0.00 O ATOM 0 H GLU A 25 -9.560 2.809 -16.011 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.403 4.053 -16.058 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.234 2.434 -13.598 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.320 3.286 -14.678 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.816 1.754 -16.494 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.562 0.975 -15.550 1.00 0.00 H new ATOM 390 N SER A 26 -9.955 5.298 -13.811 1.00 0.00 N ATOM 391 CA SER A 26 -9.677 6.392 -12.859 1.00 0.00 C ATOM 392 C SER A 26 -10.269 6.114 -11.460 1.00 0.00 C ATOM 393 O SER A 26 -10.517 7.046 -10.687 1.00 0.00 O ATOM 394 CB SER A 26 -10.124 7.786 -13.419 1.00 0.00 C ATOM 395 OG SER A 26 -11.524 7.860 -13.691 1.00 0.00 O ATOM 0 H SER A 26 -9.112 4.925 -14.247 1.00 0.00 H new ATOM 0 HA SER A 26 -8.595 6.432 -12.738 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.859 8.561 -12.700 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.571 7.997 -14.334 1.00 0.00 H new ATOM 0 HG SER A 26 -11.969 7.063 -13.334 1.00 0.00 H new ATOM 401 N LYS A 27 -10.449 4.821 -11.122 1.00 0.00 N ATOM 402 CA LYS A 27 -11.006 4.439 -9.824 1.00 0.00 C ATOM 403 C LYS A 27 -10.106 4.923 -8.684 1.00 0.00 C ATOM 404 O LYS A 27 -8.897 5.081 -8.889 1.00 0.00 O ATOM 405 CB LYS A 27 -11.289 2.910 -9.734 1.00 0.00 C ATOM 406 CG LYS A 27 -12.285 2.431 -10.783 1.00 0.00 C ATOM 407 CD LYS A 27 -12.851 1.035 -10.504 1.00 0.00 C ATOM 408 CE LYS A 27 -11.830 -0.064 -10.677 1.00 0.00 C ATOM 409 NZ LYS A 27 -11.346 -0.130 -12.065 1.00 0.00 N ATOM 0 H LYS A 27 -10.217 4.035 -11.729 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.971 4.935 -9.720 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.353 2.364 -9.853 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.672 2.674 -8.741 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.109 3.142 -10.840 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.798 2.428 -11.758 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.240 1.004 -9.486 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.692 0.850 -11.173 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.990 0.108 -10.004 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.271 -1.021 -10.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.822 -1.017 -12.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.156 -0.097 -12.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.717 0.677 -12.252 1.00 0.00 H new ATOM 423 N PRO A 28 -10.703 5.196 -7.484 1.00 0.00 N ATOM 424 CA PRO A 28 -9.984 5.733 -6.308 1.00 0.00 C ATOM 425 C PRO A 28 -8.668 5.022 -6.060 1.00 0.00 C ATOM 426 O PRO A 28 -8.609 3.805 -6.044 1.00 0.00 O ATOM 427 CB PRO A 28 -10.955 5.511 -5.137 1.00 0.00 C ATOM 428 CG PRO A 28 -12.109 4.743 -5.699 1.00 0.00 C ATOM 429 CD PRO A 28 -12.118 4.992 -7.179 1.00 0.00 C ATOM 0 HA PRO A 28 -9.716 6.780 -6.448 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.474 4.958 -4.330 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.286 6.462 -4.719 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.005 3.679 -5.487 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.046 5.068 -5.247 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.532 4.147 -7.728 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.717 5.865 -7.438 1.00 0.00 H new ATOM 437 N ILE A 29 -7.635 5.792 -5.855 1.00 0.00 N ATOM 438 CA ILE A 29 -6.296 5.263 -5.765 1.00 0.00 C ATOM 439 C ILE A 29 -5.934 4.981 -4.317 1.00 0.00 C ATOM 440 O ILE A 29 -5.947 5.895 -3.470 1.00 0.00 O ATOM 441 CB ILE A 29 -5.274 6.281 -6.310 1.00 0.00 C ATOM 442 CG1 ILE A 29 -5.723 6.841 -7.650 1.00 0.00 C ATOM 443 CG2 ILE A 29 -3.923 5.589 -6.495 1.00 0.00 C ATOM 444 CD1 ILE A 29 -4.832 7.919 -8.149 1.00 0.00 C ATOM 0 H ILE A 29 -7.694 6.804 -5.745 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.266 4.345 -6.352 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.192 7.100 -5.596 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.757 6.035 -8.383 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.737 7.229 -7.556 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.197 6.305 -6.880 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.578 5.203 -5.536 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.030 4.765 -7.201 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.201 8.281 -9.109 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.818 8.740 -7.432 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.822 7.528 -8.273 1.00 0.00 H new ATOM 456 N TYR A 30 -5.598 3.746 -4.032 1.00 0.00 N ATOM 457 CA TYR A 30 -5.210 3.349 -2.698 1.00 0.00 C ATOM 458 C TYR A 30 -3.989 2.476 -2.741 1.00 0.00 C ATOM 459 O TYR A 30 -3.859 1.607 -3.602 1.00 0.00 O ATOM 460 CB TYR A 30 -6.334 2.591 -1.964 1.00 0.00 C ATOM 461 CG TYR A 30 -7.636 3.343 -1.784 1.00 0.00 C ATOM 462 CD1 TYR A 30 -7.712 4.453 -0.967 1.00 0.00 C ATOM 463 CD2 TYR A 30 -8.787 2.933 -2.433 1.00 0.00 C ATOM 464 CE1 TYR A 30 -8.899 5.136 -0.802 1.00 0.00 C ATOM 465 CE2 TYR A 30 -9.976 3.605 -2.275 1.00 0.00 C ATOM 466 CZ TYR A 30 -10.028 4.705 -1.459 1.00 0.00 C ATOM 467 OH TYR A 30 -11.218 5.385 -1.300 1.00 0.00 O ATOM 0 H TYR A 30 -5.585 2.989 -4.715 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.998 4.267 -2.151 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.542 1.671 -2.511 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.966 2.301 -0.980 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.828 4.792 -0.448 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.751 2.067 -3.077 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -8.942 6.004 -0.161 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.863 3.268 -2.791 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.916 4.951 -1.833 1.00 0.00 H new ATOM 477 N VAL A 31 -3.107 2.717 -1.830 1.00 0.00 N ATOM 478 CA VAL A 31 -1.947 1.888 -1.633 1.00 0.00 C ATOM 479 C VAL A 31 -2.099 1.243 -0.287 1.00 0.00 C ATOM 480 O VAL A 31 -2.898 1.705 0.536 1.00 0.00 O ATOM 481 CB VAL A 31 -0.602 2.667 -1.614 1.00 0.00 C ATOM 482 CG1 VAL A 31 -0.253 3.320 -2.927 1.00 0.00 C ATOM 483 CG2 VAL A 31 -0.582 3.672 -0.504 1.00 0.00 C ATOM 0 H VAL A 31 -3.165 3.506 -1.187 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.902 1.189 -2.468 1.00 0.00 H new ATOM 0 HB VAL A 31 0.169 1.917 -1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.699 3.843 -2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.172 2.558 -3.702 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.033 4.032 -3.198 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.369 4.204 -0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.396 4.383 -0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.704 3.162 0.451 1.00 0.00 H new ATOM 493 N ALA A 32 -1.384 0.214 -0.049 1.00 0.00 N ATOM 494 CA ALA A 32 -1.412 -0.389 1.232 1.00 0.00 C ATOM 495 C ALA A 32 -0.005 -0.585 1.730 1.00 0.00 C ATOM 496 O ALA A 32 0.899 -0.865 0.946 1.00 0.00 O ATOM 497 CB ALA A 32 -2.186 -1.685 1.192 1.00 0.00 C ATOM 0 H ALA A 32 -0.767 -0.234 -0.726 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.928 0.268 1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.196 -2.133 2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.209 -1.488 0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.712 -2.370 0.490 1.00 0.00 H new ATOM 503 N ILE A 33 0.196 -0.372 3.002 1.00 0.00 N ATOM 504 CA ILE A 33 1.481 -0.574 3.608 1.00 0.00 C ATOM 505 C ILE A 33 1.324 -1.436 4.825 1.00 0.00 C ATOM 506 O ILE A 33 0.664 -1.038 5.795 1.00 0.00 O ATOM 507 CB ILE A 33 2.161 0.763 4.031 1.00 0.00 C ATOM 508 CG1 ILE A 33 2.337 1.697 2.844 1.00 0.00 C ATOM 509 CG2 ILE A 33 3.506 0.526 4.733 1.00 0.00 C ATOM 510 CD1 ILE A 33 3.150 2.916 3.185 1.00 0.00 C ATOM 0 H ILE A 33 -0.528 -0.053 3.647 1.00 0.00 H new ATOM 0 HA ILE A 33 2.117 -1.052 2.863 1.00 0.00 H new ATOM 0 HB ILE A 33 1.493 1.242 4.747 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.821 1.157 2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.357 2.008 2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.945 1.484 5.011 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.348 -0.074 5.629 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.181 -0.001 4.058 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.245 3.549 2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.654 3.474 3.979 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.141 2.610 3.521 1.00 0.00 H new ATOM 522 N LYS A 34 1.870 -2.636 4.741 1.00 0.00 N ATOM 523 CA LYS A 34 1.944 -3.585 5.844 1.00 0.00 C ATOM 524 C LYS A 34 0.513 -3.963 6.285 1.00 0.00 C ATOM 525 O LYS A 34 0.265 -4.325 7.438 1.00 0.00 O ATOM 526 CB LYS A 34 2.745 -2.960 7.016 1.00 0.00 C ATOM 527 CG LYS A 34 3.746 -3.907 7.697 1.00 0.00 C ATOM 528 CD LYS A 34 3.095 -5.164 8.234 1.00 0.00 C ATOM 529 CE LYS A 34 4.113 -6.077 8.881 1.00 0.00 C ATOM 530 NZ LYS A 34 3.500 -7.328 9.365 1.00 0.00 N ATOM 0 H LYS A 34 2.287 -2.990 3.880 1.00 0.00 H new ATOM 0 HA LYS A 34 2.460 -4.491 5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.286 -2.091 6.643 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.041 -2.600 7.766 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.522 -4.182 6.983 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.238 -3.381 8.515 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.329 -4.897 8.962 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.594 -5.692 7.423 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.899 -6.312 8.163 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.588 -5.559 9.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.230 -7.926 9.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.768 -7.106 10.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.069 -7.835 8.566 1.00 0.00 H new ATOM 544 N GLY A 35 -0.404 -3.907 5.345 1.00 0.00 N ATOM 545 CA GLY A 35 -1.771 -4.235 5.608 1.00 0.00 C ATOM 546 C GLY A 35 -2.635 -3.037 5.937 1.00 0.00 C ATOM 547 O GLY A 35 -3.795 -3.201 6.316 1.00 0.00 O ATOM 0 H GLY A 35 -0.215 -3.632 4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.187 -4.743 4.738 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.812 -4.940 6.438 1.00 0.00 H new ATOM 551 N ARG A 36 -2.102 -1.838 5.816 1.00 0.00 N ATOM 552 CA ARG A 36 -2.886 -0.660 6.090 1.00 0.00 C ATOM 553 C ARG A 36 -3.065 0.126 4.812 1.00 0.00 C ATOM 554 O ARG A 36 -2.101 0.438 4.145 1.00 0.00 O ATOM 555 CB ARG A 36 -2.220 0.199 7.154 1.00 0.00 C ATOM 556 CG ARG A 36 -1.783 -0.589 8.375 1.00 0.00 C ATOM 557 CD ARG A 36 -1.434 0.318 9.523 1.00 0.00 C ATOM 558 NE ARG A 36 -0.412 1.309 9.194 1.00 0.00 N ATOM 559 CZ ARG A 36 -0.459 2.583 9.595 1.00 0.00 C ATOM 560 NH1 ARG A 36 -1.449 3.006 10.378 1.00 0.00 N ATOM 561 NH2 ARG A 36 0.488 3.416 9.236 1.00 0.00 N ATOM 0 H ARG A 36 -1.139 -1.658 5.532 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.862 -0.962 6.470 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.351 0.694 6.720 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.912 0.982 7.464 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.581 -1.267 8.676 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.920 -1.205 8.122 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.335 0.834 9.855 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.086 -0.287 10.360 1.00 0.00 H new ATOM 0 HE ARG A 36 0.382 1.012 8.627 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.177 2.357 10.675 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.479 3.980 10.681 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.258 3.091 8.652 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.454 4.389 9.541 1.00 0.00 H new ATOM 575 N VAL A 37 -4.280 0.442 4.488 1.00 0.00 N ATOM 576 CA VAL A 37 -4.597 1.117 3.244 1.00 0.00 C ATOM 577 C VAL A 37 -4.575 2.622 3.418 1.00 0.00 C ATOM 578 O VAL A 37 -5.253 3.166 4.281 1.00 0.00 O ATOM 579 CB VAL A 37 -5.970 0.656 2.690 1.00 0.00 C ATOM 580 CG1 VAL A 37 -6.350 1.406 1.431 1.00 0.00 C ATOM 581 CG2 VAL A 37 -5.924 -0.817 2.393 1.00 0.00 C ATOM 0 H VAL A 37 -5.091 0.243 5.073 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.829 0.846 2.520 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.722 0.868 3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.318 1.053 1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.410 2.473 1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.596 1.233 0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.890 -1.140 2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.149 -1.015 1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.700 -1.366 3.308 1.00 0.00 H new ATOM 591 N PHE A 38 -3.799 3.271 2.600 1.00 0.00 N ATOM 592 CA PHE A 38 -3.654 4.705 2.622 1.00 0.00 C ATOM 593 C PHE A 38 -4.275 5.303 1.384 1.00 0.00 C ATOM 594 O PHE A 38 -4.186 4.722 0.285 1.00 0.00 O ATOM 595 CB PHE A 38 -2.181 5.103 2.649 1.00 0.00 C ATOM 596 CG PHE A 38 -1.419 4.748 3.895 1.00 0.00 C ATOM 597 CD1 PHE A 38 -1.020 3.449 4.142 1.00 0.00 C ATOM 598 CD2 PHE A 38 -1.093 5.725 4.812 1.00 0.00 C ATOM 599 CE1 PHE A 38 -0.312 3.134 5.280 1.00 0.00 C ATOM 600 CE2 PHE A 38 -0.380 5.417 5.948 1.00 0.00 C ATOM 601 CZ PHE A 38 0.008 4.119 6.181 1.00 0.00 C ATOM 0 H PHE A 38 -3.236 2.813 1.883 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.151 5.075 3.519 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.684 4.635 1.799 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.115 6.181 2.503 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.266 2.671 3.434 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.401 6.745 4.636 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.009 2.114 5.464 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.126 6.193 6.655 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.565 3.874 7.073 1.00 0.00 H new ATOM 611 N ASP A 39 -4.889 6.442 1.544 1.00 0.00 N ATOM 612 CA ASP A 39 -5.455 7.155 0.420 1.00 0.00 C ATOM 613 C ASP A 39 -4.379 7.983 -0.215 1.00 0.00 C ATOM 614 O ASP A 39 -3.723 8.782 0.457 1.00 0.00 O ATOM 615 CB ASP A 39 -6.595 8.070 0.848 1.00 0.00 C ATOM 616 CG ASP A 39 -7.215 8.798 -0.330 1.00 0.00 C ATOM 617 OD1 ASP A 39 -6.633 9.807 -0.807 1.00 0.00 O ATOM 618 OD2 ASP A 39 -8.276 8.378 -0.796 1.00 0.00 O ATOM 0 H ASP A 39 -5.014 6.903 2.445 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.855 6.424 -0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.361 7.482 1.354 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.224 8.798 1.569 1.00 0.00 H new ATOM 623 N VAL A 40 -4.178 7.797 -1.490 1.00 0.00 N ATOM 624 CA VAL A 40 -3.164 8.537 -2.198 1.00 0.00 C ATOM 625 C VAL A 40 -3.748 9.353 -3.338 1.00 0.00 C ATOM 626 O VAL A 40 -3.032 9.734 -4.260 1.00 0.00 O ATOM 627 CB VAL A 40 -2.009 7.631 -2.711 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.190 7.096 -1.555 1.00 0.00 C ATOM 629 CG2 VAL A 40 -2.546 6.481 -3.524 1.00 0.00 C ATOM 0 H VAL A 40 -4.703 7.138 -2.064 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.737 9.227 -1.470 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.369 8.243 -3.346 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.388 6.465 -1.938 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.761 7.928 -0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.830 6.509 -0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.718 5.863 -3.871 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.214 5.880 -2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.095 6.868 -4.383 1.00 0.00 H new ATOM 639 N THR A 41 -5.029 9.688 -3.245 1.00 0.00 N ATOM 640 CA THR A 41 -5.658 10.501 -4.283 1.00 0.00 C ATOM 641 C THR A 41 -5.139 11.942 -4.205 1.00 0.00 C ATOM 642 O THR A 41 -5.048 12.661 -5.216 1.00 0.00 O ATOM 643 CB THR A 41 -7.207 10.465 -4.203 1.00 0.00 C ATOM 644 OG1 THR A 41 -7.662 10.885 -2.905 1.00 0.00 O ATOM 645 CG2 THR A 41 -7.725 9.069 -4.505 1.00 0.00 C ATOM 0 H THR A 41 -5.644 9.417 -2.478 1.00 0.00 H new ATOM 0 HA THR A 41 -5.386 10.074 -5.248 1.00 0.00 H new ATOM 0 HB THR A 41 -7.598 11.156 -4.950 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.972 10.689 -2.237 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.813 9.064 -4.444 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.416 8.776 -5.508 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.318 8.365 -3.780 1.00 0.00 H new ATOM 653 N THR A 42 -4.767 12.337 -2.996 1.00 0.00 N ATOM 654 CA THR A 42 -4.165 13.630 -2.735 1.00 0.00 C ATOM 655 C THR A 42 -2.751 13.697 -3.362 1.00 0.00 C ATOM 656 O THR A 42 -2.225 14.771 -3.627 1.00 0.00 O ATOM 657 CB THR A 42 -4.138 13.950 -1.196 1.00 0.00 C ATOM 658 OG1 THR A 42 -3.491 15.205 -0.930 1.00 0.00 O ATOM 659 CG2 THR A 42 -3.456 12.843 -0.402 1.00 0.00 C ATOM 0 H THR A 42 -4.877 11.760 -2.162 1.00 0.00 H new ATOM 0 HA THR A 42 -4.779 14.399 -3.204 1.00 0.00 H new ATOM 0 HB THR A 42 -5.177 14.017 -0.874 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.492 15.375 0.035 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.457 13.101 0.657 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.994 11.906 -0.548 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.428 12.729 -0.746 1.00 0.00 H new ATOM 667 N GLY A 43 -2.161 12.535 -3.596 1.00 0.00 N ATOM 668 CA GLY A 43 -0.863 12.458 -4.215 1.00 0.00 C ATOM 669 C GLY A 43 -0.944 11.729 -5.535 1.00 0.00 C ATOM 670 O GLY A 43 -0.048 10.955 -5.891 1.00 0.00 O ATOM 0 H GLY A 43 -2.571 11.631 -3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.469 13.462 -4.372 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.168 11.943 -3.552 1.00 0.00 H new ATOM 674 N LYS A 44 -2.021 11.984 -6.278 1.00 0.00 N ATOM 675 CA LYS A 44 -2.286 11.294 -7.540 1.00 0.00 C ATOM 676 C LYS A 44 -1.135 11.501 -8.523 1.00 0.00 C ATOM 677 O LYS A 44 -0.762 10.590 -9.256 1.00 0.00 O ATOM 678 CB LYS A 44 -3.574 11.798 -8.184 1.00 0.00 C ATOM 679 CG LYS A 44 -3.983 10.981 -9.392 1.00 0.00 C ATOM 680 CD LYS A 44 -5.110 11.609 -10.153 1.00 0.00 C ATOM 681 CE LYS A 44 -5.507 10.731 -11.326 1.00 0.00 C ATOM 682 NZ LYS A 44 -6.616 11.300 -12.117 1.00 0.00 N ATOM 0 H LYS A 44 -2.731 12.671 -6.024 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.388 10.233 -7.311 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.377 11.776 -7.447 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.443 12.838 -8.482 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.125 10.861 -10.053 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.279 9.983 -9.069 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.966 11.756 -9.494 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.811 12.594 -10.512 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.642 10.585 -11.974 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.798 9.748 -10.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.845 10.660 -12.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.452 11.415 -11.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.333 12.226 -12.496 1.00 0.00 H new ATOM 696 N SER A 45 -0.567 12.691 -8.491 1.00 0.00 N ATOM 697 CA SER A 45 0.535 13.092 -9.357 1.00 0.00 C ATOM 698 C SER A 45 1.757 12.171 -9.211 1.00 0.00 C ATOM 699 O SER A 45 2.625 12.141 -10.072 1.00 0.00 O ATOM 700 CB SER A 45 0.915 14.533 -9.041 1.00 0.00 C ATOM 701 OG SER A 45 -0.219 15.388 -9.188 1.00 0.00 O ATOM 0 H SER A 45 -0.863 13.426 -7.849 1.00 0.00 H new ATOM 0 HA SER A 45 0.202 13.009 -10.392 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.300 14.600 -8.023 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.714 14.860 -9.706 1.00 0.00 H new ATOM 0 HG SER A 45 0.038 16.311 -8.980 1.00 0.00 H new ATOM 707 N PHE A 46 1.813 11.432 -8.126 1.00 0.00 N ATOM 708 CA PHE A 46 2.892 10.508 -7.899 1.00 0.00 C ATOM 709 C PHE A 46 2.415 9.094 -8.191 1.00 0.00 C ATOM 710 O PHE A 46 3.102 8.310 -8.851 1.00 0.00 O ATOM 711 CB PHE A 46 3.358 10.597 -6.440 1.00 0.00 C ATOM 712 CG PHE A 46 3.733 11.986 -5.995 1.00 0.00 C ATOM 713 CD1 PHE A 46 4.951 12.534 -6.340 1.00 0.00 C ATOM 714 CD2 PHE A 46 2.855 12.740 -5.228 1.00 0.00 C ATOM 715 CE1 PHE A 46 5.296 13.808 -5.932 1.00 0.00 C ATOM 716 CE2 PHE A 46 3.191 14.013 -4.817 1.00 0.00 C ATOM 717 CZ PHE A 46 4.414 14.549 -5.169 1.00 0.00 C ATOM 0 H PHE A 46 1.115 11.457 -7.383 1.00 0.00 H new ATOM 0 HA PHE A 46 3.724 10.759 -8.557 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.564 10.222 -5.793 1.00 0.00 H new ATOM 0 HB3 PHE A 46 4.217 9.940 -6.304 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.644 11.960 -6.937 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.898 12.325 -4.950 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.253 14.224 -6.209 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.499 14.589 -4.221 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.681 15.545 -4.849 1.00 0.00 H new ATOM 727 N TYR A 47 1.222 8.785 -7.730 1.00 0.00 N ATOM 728 CA TYR A 47 0.694 7.442 -7.827 1.00 0.00 C ATOM 729 C TYR A 47 -0.145 7.201 -9.097 1.00 0.00 C ATOM 730 O TYR A 47 0.350 6.611 -10.053 1.00 0.00 O ATOM 731 CB TYR A 47 -0.049 7.078 -6.529 1.00 0.00 C ATOM 732 CG TYR A 47 0.868 7.184 -5.318 1.00 0.00 C ATOM 733 CD1 TYR A 47 1.023 8.391 -4.648 1.00 0.00 C ATOM 734 CD2 TYR A 47 1.612 6.101 -4.880 1.00 0.00 C ATOM 735 CE1 TYR A 47 1.890 8.519 -3.591 1.00 0.00 C ATOM 736 CE2 TYR A 47 2.479 6.219 -3.808 1.00 0.00 C ATOM 737 CZ TYR A 47 2.615 7.435 -3.174 1.00 0.00 C ATOM 738 OH TYR A 47 3.493 7.571 -2.132 1.00 0.00 O ATOM 0 H TYR A 47 0.595 9.452 -7.281 1.00 0.00 H new ATOM 0 HA TYR A 47 1.537 6.760 -7.937 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.904 7.741 -6.399 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.440 6.063 -6.604 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.448 9.248 -4.966 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.514 5.150 -5.383 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.000 9.470 -3.091 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.045 5.364 -3.470 1.00 0.00 H new ATOM 0 HH TYR A 47 3.110 7.166 -1.326 1.00 0.00 H new ATOM 748 N GLY A 48 -1.369 7.724 -9.152 1.00 0.00 N ATOM 749 CA GLY A 48 -2.262 7.431 -10.289 1.00 0.00 C ATOM 750 C GLY A 48 -2.091 8.398 -11.437 1.00 0.00 C ATOM 751 O GLY A 48 -3.060 8.768 -12.099 1.00 0.00 O ATOM 0 H GLY A 48 -1.766 8.341 -8.443 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.071 6.418 -10.643 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.297 7.459 -9.948 1.00 0.00 H new ATOM 755 N SER A 49 -0.871 8.786 -11.671 1.00 0.00 N ATOM 756 CA SER A 49 -0.525 9.747 -12.695 1.00 0.00 C ATOM 757 C SER A 49 0.976 9.819 -12.822 1.00 0.00 C ATOM 758 O SER A 49 1.503 10.109 -13.890 1.00 0.00 O ATOM 759 CB SER A 49 -1.095 11.137 -12.354 1.00 0.00 C ATOM 760 OG SER A 49 -0.752 12.112 -13.332 1.00 0.00 O ATOM 0 H SER A 49 -0.067 8.440 -11.148 1.00 0.00 H new ATOM 0 HA SER A 49 -0.958 9.427 -13.643 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.180 11.073 -12.272 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.720 11.453 -11.381 1.00 0.00 H new ATOM 0 HG SER A 49 -1.134 12.978 -13.078 1.00 0.00 H new ATOM 766 N GLY A 50 1.662 9.554 -11.721 1.00 0.00 N ATOM 767 CA GLY A 50 3.103 9.592 -11.720 1.00 0.00 C ATOM 768 C GLY A 50 3.709 8.412 -12.417 1.00 0.00 C ATOM 769 O GLY A 50 4.864 8.459 -12.824 1.00 0.00 O ATOM 0 H GLY A 50 1.240 9.312 -10.824 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.439 10.508 -12.205 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.462 9.626 -10.691 1.00 0.00 H new ATOM 773 N GLY A 51 2.935 7.345 -12.558 1.00 0.00 N ATOM 774 CA GLY A 51 3.415 6.146 -13.237 1.00 0.00 C ATOM 775 C GLY A 51 4.351 5.310 -12.404 1.00 0.00 C ATOM 776 O GLY A 51 4.101 4.123 -12.168 1.00 0.00 O ATOM 0 H GLY A 51 1.977 7.283 -12.214 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.559 5.537 -13.527 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.924 6.439 -14.155 1.00 0.00 H new ATOM 780 N ASP A 52 5.382 5.927 -11.945 1.00 0.00 N ATOM 781 CA ASP A 52 6.431 5.295 -11.183 1.00 0.00 C ATOM 782 C ASP A 52 5.921 4.725 -9.856 1.00 0.00 C ATOM 783 O ASP A 52 6.248 3.600 -9.483 1.00 0.00 O ATOM 784 CB ASP A 52 7.479 6.338 -10.933 1.00 0.00 C ATOM 785 CG ASP A 52 8.622 5.856 -10.081 1.00 0.00 C ATOM 786 OD1 ASP A 52 9.594 5.297 -10.619 1.00 0.00 O ATOM 787 OD2 ASP A 52 8.581 6.052 -8.852 1.00 0.00 O ATOM 0 H ASP A 52 5.535 6.925 -12.089 1.00 0.00 H new ATOM 0 HA ASP A 52 6.832 4.450 -11.743 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.871 6.683 -11.890 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.015 7.198 -10.450 1.00 0.00 H new ATOM 792 N TYR A 53 5.086 5.475 -9.176 1.00 0.00 N ATOM 793 CA TYR A 53 4.534 5.023 -7.911 1.00 0.00 C ATOM 794 C TYR A 53 3.171 4.375 -8.095 1.00 0.00 C ATOM 795 O TYR A 53 2.491 4.052 -7.133 1.00 0.00 O ATOM 796 CB TYR A 53 4.462 6.158 -6.885 1.00 0.00 C ATOM 797 CG TYR A 53 5.804 6.657 -6.390 1.00 0.00 C ATOM 798 CD1 TYR A 53 6.505 5.948 -5.425 1.00 0.00 C ATOM 799 CD2 TYR A 53 6.366 7.832 -6.875 1.00 0.00 C ATOM 800 CE1 TYR A 53 7.724 6.386 -4.954 1.00 0.00 C ATOM 801 CE2 TYR A 53 7.589 8.282 -6.404 1.00 0.00 C ATOM 802 CZ TYR A 53 8.264 7.552 -5.442 1.00 0.00 C ATOM 803 OH TYR A 53 9.485 7.997 -4.963 1.00 0.00 O ATOM 0 H TYR A 53 4.772 6.399 -9.472 1.00 0.00 H new ATOM 0 HA TYR A 53 5.215 4.266 -7.522 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.921 6.994 -7.327 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.879 5.818 -6.029 1.00 0.00 H new ATOM 0 HD1 TYR A 53 6.086 5.032 -5.034 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.843 8.402 -7.629 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.253 5.815 -4.205 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.013 9.199 -6.786 1.00 0.00 H new ATOM 0 HH TYR A 53 9.727 8.834 -5.411 1.00 0.00 H new ATOM 813 N SER A 54 2.807 4.131 -9.335 1.00 0.00 N ATOM 814 CA SER A 54 1.522 3.536 -9.660 1.00 0.00 C ATOM 815 C SER A 54 1.548 2.037 -9.339 1.00 0.00 C ATOM 816 O SER A 54 0.512 1.399 -9.203 1.00 0.00 O ATOM 817 CB SER A 54 1.227 3.757 -11.151 1.00 0.00 C ATOM 818 OG SER A 54 -0.057 3.297 -11.525 1.00 0.00 O ATOM 0 H SER A 54 3.389 4.337 -10.147 1.00 0.00 H new ATOM 0 HA SER A 54 0.738 4.005 -9.066 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.309 4.819 -11.380 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.981 3.243 -11.747 1.00 0.00 H new ATOM 0 HG SER A 54 -0.198 3.461 -12.481 1.00 0.00 H new ATOM 824 N MET A 55 2.757 1.500 -9.180 1.00 0.00 N ATOM 825 CA MET A 55 2.953 0.067 -8.916 1.00 0.00 C ATOM 826 C MET A 55 2.501 -0.243 -7.505 1.00 0.00 C ATOM 827 O MET A 55 2.128 -1.370 -7.179 1.00 0.00 O ATOM 828 CB MET A 55 4.435 -0.300 -9.000 1.00 0.00 C ATOM 829 CG MET A 55 5.211 0.349 -10.126 1.00 0.00 C ATOM 830 SD MET A 55 4.447 0.161 -11.752 1.00 0.00 S ATOM 831 CE MET A 55 5.686 0.969 -12.773 1.00 0.00 C ATOM 0 H MET A 55 3.623 2.036 -9.229 1.00 0.00 H new ATOM 0 HA MET A 55 2.383 -0.495 -9.656 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.910 -0.034 -8.056 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.517 -1.382 -9.104 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.324 1.411 -9.910 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.213 -0.078 -10.156 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.371 0.943 -13.816 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.801 2.005 -12.454 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.639 0.450 -12.668 1.00 0.00 H new ATOM 841 N PHE A 56 2.546 0.783 -6.683 1.00 0.00 N ATOM 842 CA PHE A 56 2.223 0.702 -5.281 1.00 0.00 C ATOM 843 C PHE A 56 0.720 0.739 -5.089 1.00 0.00 C ATOM 844 O PHE A 56 0.201 0.286 -4.081 1.00 0.00 O ATOM 845 CB PHE A 56 2.862 1.897 -4.540 1.00 0.00 C ATOM 846 CG PHE A 56 4.378 1.956 -4.592 1.00 0.00 C ATOM 847 CD1 PHE A 56 5.047 2.294 -5.762 1.00 0.00 C ATOM 848 CD2 PHE A 56 5.124 1.690 -3.466 1.00 0.00 C ATOM 849 CE1 PHE A 56 6.426 2.358 -5.799 1.00 0.00 C ATOM 850 CE2 PHE A 56 6.499 1.751 -3.493 1.00 0.00 C ATOM 851 CZ PHE A 56 7.155 2.086 -4.661 1.00 0.00 C ATOM 0 H PHE A 56 2.816 1.720 -6.983 1.00 0.00 H new ATOM 0 HA PHE A 56 2.611 -0.234 -4.879 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.464 2.820 -4.962 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.552 1.864 -3.496 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.480 2.510 -6.656 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.622 1.429 -2.546 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.932 2.620 -6.717 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.066 1.536 -2.599 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.234 2.135 -4.683 1.00 0.00 H new ATOM 861 N ALA A 57 0.030 1.267 -6.071 1.00 0.00 N ATOM 862 CA ALA A 57 -1.389 1.440 -5.984 1.00 0.00 C ATOM 863 C ALA A 57 -2.111 0.153 -6.316 1.00 0.00 C ATOM 864 O ALA A 57 -1.802 -0.521 -7.305 1.00 0.00 O ATOM 865 CB ALA A 57 -1.835 2.573 -6.879 1.00 0.00 C ATOM 0 H ALA A 57 0.441 1.586 -6.948 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.646 1.701 -4.957 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.916 2.693 -6.803 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.345 3.496 -6.569 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.567 2.348 -7.911 1.00 0.00 H new ATOM 871 N GLY A 58 -3.057 -0.191 -5.485 1.00 0.00 N ATOM 872 CA GLY A 58 -3.806 -1.401 -5.650 1.00 0.00 C ATOM 873 C GLY A 58 -3.063 -2.608 -5.131 1.00 0.00 C ATOM 874 O GLY A 58 -3.452 -3.755 -5.386 1.00 0.00 O ATOM 0 H GLY A 58 -3.329 0.363 -4.673 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.758 -1.311 -5.128 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.034 -1.544 -6.706 1.00 0.00 H new ATOM 878 N LYS A 59 -2.007 -2.368 -4.413 1.00 0.00 N ATOM 879 CA LYS A 59 -1.203 -3.430 -3.902 1.00 0.00 C ATOM 880 C LYS A 59 -0.657 -3.003 -2.574 1.00 0.00 C ATOM 881 O LYS A 59 -0.618 -1.806 -2.281 1.00 0.00 O ATOM 882 CB LYS A 59 -0.056 -3.713 -4.906 1.00 0.00 C ATOM 883 CG LYS A 59 0.915 -4.854 -4.545 1.00 0.00 C ATOM 884 CD LYS A 59 0.247 -6.218 -4.441 1.00 0.00 C ATOM 885 CE LYS A 59 -0.436 -6.636 -5.742 1.00 0.00 C ATOM 886 NZ LYS A 59 0.518 -6.728 -6.880 1.00 0.00 N ATOM 0 H LYS A 59 -1.682 -1.433 -4.167 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.786 -4.342 -3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.500 -3.939 -5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.524 -2.798 -5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.702 -4.901 -5.298 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.397 -4.622 -3.595 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.993 -6.965 -4.170 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.490 -6.198 -3.638 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.922 -7.601 -5.600 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.219 -5.918 -5.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.024 -7.096 -7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.900 -5.784 -7.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.297 -7.369 -6.629 1.00 0.00 H new ATOM 900 N ASP A 60 -0.285 -3.937 -1.758 1.00 0.00 N ATOM 901 CA ASP A 60 0.399 -3.580 -0.566 1.00 0.00 C ATOM 902 C ASP A 60 1.842 -3.511 -0.938 1.00 0.00 C ATOM 903 O ASP A 60 2.364 -4.413 -1.596 1.00 0.00 O ATOM 904 CB ASP A 60 0.184 -4.578 0.547 1.00 0.00 C ATOM 905 CG ASP A 60 0.759 -4.086 1.868 1.00 0.00 C ATOM 906 OD1 ASP A 60 1.992 -4.088 2.034 1.00 0.00 O ATOM 907 OD2 ASP A 60 -0.023 -3.678 2.739 1.00 0.00 O ATOM 0 H ASP A 60 -0.442 -4.936 -1.895 1.00 0.00 H new ATOM 0 HA ASP A 60 0.023 -2.632 -0.181 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.883 -4.768 0.664 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.649 -5.527 0.279 1.00 0.00 H new ATOM 912 N ALA A 61 2.468 -2.468 -0.577 1.00 0.00 N ATOM 913 CA ALA A 61 3.795 -2.226 -1.005 1.00 0.00 C ATOM 914 C ALA A 61 4.785 -2.349 0.122 1.00 0.00 C ATOM 915 O ALA A 61 5.881 -1.847 0.008 1.00 0.00 O ATOM 916 CB ALA A 61 3.856 -0.847 -1.619 1.00 0.00 C ATOM 0 H ALA A 61 2.078 -1.746 0.029 1.00 0.00 H new ATOM 0 HA ALA A 61 4.069 -2.981 -1.742 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.873 -0.643 -1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.176 -0.797 -2.469 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.564 -0.105 -0.876 1.00 0.00 H new ATOM 922 N SER A 62 4.436 -3.083 1.172 1.00 0.00 N ATOM 923 CA SER A 62 5.290 -3.210 2.352 1.00 0.00 C ATOM 924 C SER A 62 6.712 -3.683 1.963 1.00 0.00 C ATOM 925 O SER A 62 7.709 -3.135 2.433 1.00 0.00 O ATOM 926 CB SER A 62 4.645 -4.183 3.356 1.00 0.00 C ATOM 927 OG SER A 62 5.312 -4.188 4.599 1.00 0.00 O ATOM 0 H SER A 62 3.561 -3.604 1.232 1.00 0.00 H new ATOM 0 HA SER A 62 5.387 -2.230 2.820 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.601 -3.907 3.507 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.651 -5.190 2.938 1.00 0.00 H new ATOM 0 HG SER A 62 5.152 -3.338 5.060 1.00 0.00 H new ATOM 933 N ARG A 63 6.792 -4.653 1.081 1.00 0.00 N ATOM 934 CA ARG A 63 8.079 -5.157 0.612 1.00 0.00 C ATOM 935 C ARG A 63 8.736 -4.177 -0.374 1.00 0.00 C ATOM 936 O ARG A 63 9.946 -3.984 -0.347 1.00 0.00 O ATOM 937 CB ARG A 63 7.883 -6.531 -0.030 1.00 0.00 C ATOM 938 CG ARG A 63 9.121 -7.169 -0.647 1.00 0.00 C ATOM 939 CD ARG A 63 8.752 -8.520 -1.227 1.00 0.00 C ATOM 940 NE ARG A 63 9.822 -9.135 -2.025 1.00 0.00 N ATOM 941 CZ ARG A 63 9.598 -9.743 -3.205 1.00 0.00 C ATOM 942 NH1 ARG A 63 8.374 -9.783 -3.701 1.00 0.00 N ATOM 943 NH2 ARG A 63 10.587 -10.297 -3.884 1.00 0.00 N ATOM 0 H ARG A 63 5.982 -5.115 0.668 1.00 0.00 H new ATOM 0 HA ARG A 63 8.751 -5.254 1.465 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.489 -7.209 0.727 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.122 -6.441 -0.805 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.526 -6.524 -1.427 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.899 -7.285 0.108 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.485 -9.194 -0.413 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.865 -8.407 -1.851 1.00 0.00 H new ATOM 0 HE ARG A 63 10.777 -9.100 -1.669 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.602 -9.354 -3.190 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.201 -10.243 -4.595 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.538 -10.268 -3.515 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.400 -10.754 -4.777 1.00 0.00 H new ATOM 957 N ALA A 64 7.908 -3.487 -1.152 1.00 0.00 N ATOM 958 CA ALA A 64 8.380 -2.622 -2.239 1.00 0.00 C ATOM 959 C ALA A 64 8.962 -1.379 -1.674 1.00 0.00 C ATOM 960 O ALA A 64 9.882 -0.816 -2.214 1.00 0.00 O ATOM 961 CB ALA A 64 7.247 -2.272 -3.178 1.00 0.00 C ATOM 0 H ALA A 64 6.893 -3.508 -1.051 1.00 0.00 H new ATOM 0 HA ALA A 64 9.143 -3.161 -2.802 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.621 -1.630 -3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.837 -3.185 -3.609 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.466 -1.748 -2.627 1.00 0.00 H new ATOM 967 N LEU A 65 8.397 -0.952 -0.591 1.00 0.00 N ATOM 968 CA LEU A 65 8.868 0.178 0.137 1.00 0.00 C ATOM 969 C LEU A 65 10.275 -0.113 0.676 1.00 0.00 C ATOM 970 O LEU A 65 11.188 0.689 0.517 1.00 0.00 O ATOM 971 CB LEU A 65 7.926 0.418 1.291 1.00 0.00 C ATOM 972 CG LEU A 65 6.482 0.826 0.983 1.00 0.00 C ATOM 973 CD1 LEU A 65 5.699 0.804 2.235 1.00 0.00 C ATOM 974 CD2 LEU A 65 6.383 2.207 0.405 1.00 0.00 C ATOM 0 H LEU A 65 7.574 -1.392 -0.179 1.00 0.00 H new ATOM 0 HA LEU A 65 8.909 1.056 -0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.893 -0.494 1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.363 1.194 1.920 1.00 0.00 H new ATOM 0 HG LEU A 65 6.098 0.118 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.669 1.093 2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.715 -0.201 2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.134 1.504 2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.338 2.444 0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.790 2.928 1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.949 2.253 -0.525 1.00 0.00 H new ATOM 986 N GLY A 66 10.435 -1.289 1.282 1.00 0.00 N ATOM 987 CA GLY A 66 11.712 -1.673 1.863 1.00 0.00 C ATOM 988 C GLY A 66 12.789 -1.855 0.815 1.00 0.00 C ATOM 989 O GLY A 66 13.884 -1.311 0.931 1.00 0.00 O ATOM 0 H GLY A 66 9.697 -1.986 1.381 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.028 -0.912 2.576 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.590 -2.602 2.421 1.00 0.00 H new ATOM 993 N LYS A 67 12.477 -2.634 -0.189 1.00 0.00 N ATOM 994 CA LYS A 67 13.333 -2.879 -1.314 1.00 0.00 C ATOM 995 C LYS A 67 13.554 -1.623 -2.147 1.00 0.00 C ATOM 996 O LYS A 67 14.604 -1.468 -2.784 1.00 0.00 O ATOM 997 CB LYS A 67 12.660 -3.936 -2.141 1.00 0.00 C ATOM 998 CG LYS A 67 12.551 -5.270 -1.422 1.00 0.00 C ATOM 999 CD LYS A 67 13.895 -5.946 -1.348 1.00 0.00 C ATOM 1000 CE LYS A 67 14.265 -6.655 -2.655 1.00 0.00 C ATOM 1001 NZ LYS A 67 14.071 -5.860 -3.898 1.00 0.00 N ATOM 0 H LYS A 67 11.588 -3.131 -0.244 1.00 0.00 H new ATOM 0 HA LYS A 67 14.317 -3.198 -0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.662 -3.594 -2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.216 -4.073 -3.068 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.160 -5.116 -0.416 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.843 -5.913 -1.944 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.659 -5.205 -1.111 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.890 -6.670 -0.534 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.311 -6.958 -2.599 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.673 -7.567 -2.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.474 -6.375 -4.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.055 -5.707 -4.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.548 -4.941 -3.800 1.00 0.00 H new ATOM 1015 N MET A 68 12.538 -0.764 -2.163 1.00 0.00 N ATOM 1016 CA MET A 68 12.518 0.512 -2.899 1.00 0.00 C ATOM 1017 C MET A 68 12.370 0.201 -4.363 1.00 0.00 C ATOM 1018 O MET A 68 12.656 1.017 -5.240 1.00 0.00 O ATOM 1019 CB MET A 68 13.764 1.369 -2.617 1.00 0.00 C ATOM 1020 CG MET A 68 13.967 1.687 -1.141 1.00 0.00 C ATOM 1021 SD MET A 68 15.366 2.792 -0.838 1.00 0.00 S ATOM 1022 CE MET A 68 14.830 4.258 -1.726 1.00 0.00 C ATOM 0 H MET A 68 11.674 -0.936 -1.649 1.00 0.00 H new ATOM 0 HA MET A 68 11.674 1.113 -2.561 1.00 0.00 H new ATOM 0 HB2 MET A 68 14.645 0.848 -2.992 1.00 0.00 H new ATOM 0 HB3 MET A 68 13.685 2.303 -3.173 1.00 0.00 H new ATOM 0 HG2 MET A 68 13.059 2.143 -0.746 1.00 0.00 H new ATOM 0 HG3 MET A 68 14.121 0.757 -0.593 1.00 0.00 H new ATOM 0 HE1 MET A 68 15.340 5.134 -1.324 1.00 0.00 H new ATOM 0 HE2 MET A 68 15.071 4.151 -2.784 1.00 0.00 H new ATOM 0 HE3 MET A 68 13.753 4.380 -1.610 1.00 0.00 H new ATOM 1032 N SER A 69 11.840 -0.971 -4.588 1.00 0.00 N ATOM 1033 CA SER A 69 11.669 -1.544 -5.867 1.00 0.00 C ATOM 1034 C SER A 69 10.236 -1.369 -6.340 1.00 0.00 C ATOM 1035 O SER A 69 9.285 -1.492 -5.581 1.00 0.00 O ATOM 1036 CB SER A 69 12.091 -3.003 -5.784 1.00 0.00 C ATOM 1037 OG SER A 69 13.460 -3.101 -5.374 1.00 0.00 O ATOM 0 H SER A 69 11.503 -1.571 -3.835 1.00 0.00 H new ATOM 0 HA SER A 69 12.291 -1.043 -6.609 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.453 -3.534 -5.077 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.959 -3.483 -6.754 1.00 0.00 H new ATOM 0 HG SER A 69 13.814 -3.981 -5.622 1.00 0.00 H new ATOM 1043 N LYS A 70 10.120 -1.061 -7.593 1.00 0.00 N ATOM 1044 CA LYS A 70 8.868 -0.709 -8.220 1.00 0.00 C ATOM 1045 C LYS A 70 8.351 -1.865 -9.039 1.00 0.00 C ATOM 1046 O LYS A 70 7.190 -1.900 -9.436 1.00 0.00 O ATOM 1047 CB LYS A 70 9.172 0.460 -9.103 1.00 0.00 C ATOM 1048 CG LYS A 70 9.807 1.579 -8.318 1.00 0.00 C ATOM 1049 CD LYS A 70 10.559 2.506 -9.205 1.00 0.00 C ATOM 1050 CE LYS A 70 11.210 3.639 -8.424 1.00 0.00 C ATOM 1051 NZ LYS A 70 10.229 4.424 -7.648 1.00 0.00 N ATOM 0 H LYS A 70 10.913 -1.045 -8.234 1.00 0.00 H new ATOM 0 HA LYS A 70 8.101 -0.468 -7.484 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.840 0.150 -9.906 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.254 0.815 -9.571 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.036 2.132 -7.781 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.481 1.163 -7.569 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.326 1.950 -9.744 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.883 2.922 -9.952 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.959 3.227 -7.747 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.734 4.299 -9.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.646 5.340 -7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.378 4.583 -8.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.971 3.903 -6.786 1.00 0.00 H new ATOM 1065 N ASN A 71 9.228 -2.785 -9.318 1.00 0.00 N ATOM 1066 CA ASN A 71 8.871 -3.990 -10.032 1.00 0.00 C ATOM 1067 C ASN A 71 7.813 -4.782 -9.314 1.00 0.00 C ATOM 1068 O ASN A 71 7.932 -5.085 -8.134 1.00 0.00 O ATOM 1069 CB ASN A 71 10.084 -4.842 -10.376 1.00 0.00 C ATOM 1070 CG ASN A 71 11.000 -5.124 -9.185 1.00 0.00 C ATOM 1071 OD1 ASN A 71 11.854 -4.305 -8.851 1.00 0.00 O ATOM 1072 ND2 ASN A 71 10.904 -6.281 -8.606 1.00 0.00 N ATOM 0 H ASN A 71 10.213 -2.727 -9.060 1.00 0.00 H new ATOM 0 HA ASN A 71 8.438 -3.669 -10.979 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.744 -5.790 -10.793 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.660 -4.340 -11.154 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.547 -6.530 -7.854 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.186 -6.942 -8.903 1.00 0.00 H new ATOM 1079 N GLU A 72 6.791 -5.126 -10.056 1.00 0.00 N ATOM 1080 CA GLU A 72 5.604 -5.817 -9.566 1.00 0.00 C ATOM 1081 C GLU A 72 5.873 -7.162 -8.877 1.00 0.00 C ATOM 1082 O GLU A 72 5.048 -7.647 -8.095 1.00 0.00 O ATOM 1083 CB GLU A 72 4.573 -5.931 -10.682 1.00 0.00 C ATOM 1084 CG GLU A 72 5.128 -6.201 -12.084 1.00 0.00 C ATOM 1085 CD GLU A 72 5.906 -7.482 -12.198 1.00 0.00 C ATOM 1086 OE1 GLU A 72 5.297 -8.527 -12.453 1.00 0.00 O ATOM 1087 OE2 GLU A 72 7.142 -7.456 -12.021 1.00 0.00 O ATOM 0 H GLU A 72 6.752 -4.930 -11.056 1.00 0.00 H new ATOM 0 HA GLU A 72 5.200 -5.199 -8.764 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.878 -6.731 -10.427 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.996 -5.006 -10.713 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.300 -6.227 -12.792 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.771 -5.370 -12.375 1.00 0.00 H new ATOM 1094 N GLU A 73 6.992 -7.751 -9.182 1.00 0.00 N ATOM 1095 CA GLU A 73 7.454 -8.954 -8.526 1.00 0.00 C ATOM 1096 C GLU A 73 7.673 -8.664 -7.058 1.00 0.00 C ATOM 1097 O GLU A 73 7.279 -9.437 -6.190 1.00 0.00 O ATOM 1098 CB GLU A 73 8.767 -9.380 -9.209 1.00 0.00 C ATOM 1099 CG GLU A 73 9.464 -10.674 -8.716 1.00 0.00 C ATOM 1100 CD GLU A 73 10.110 -10.565 -7.337 1.00 0.00 C ATOM 1101 OE1 GLU A 73 11.095 -9.813 -7.190 1.00 0.00 O ATOM 1102 OE2 GLU A 73 9.643 -11.231 -6.382 1.00 0.00 O ATOM 0 H GLU A 73 7.625 -7.409 -9.905 1.00 0.00 H new ATOM 0 HA GLU A 73 6.724 -9.759 -8.605 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.566 -9.496 -10.274 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.477 -8.560 -9.106 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.731 -11.480 -8.696 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.229 -10.957 -9.439 1.00 0.00 H new ATOM 1109 N ASP A 74 8.232 -7.517 -6.803 1.00 0.00 N ATOM 1110 CA ASP A 74 8.666 -7.136 -5.484 1.00 0.00 C ATOM 1111 C ASP A 74 7.515 -6.578 -4.670 1.00 0.00 C ATOM 1112 O ASP A 74 7.416 -6.813 -3.470 1.00 0.00 O ATOM 1113 CB ASP A 74 9.753 -6.089 -5.627 1.00 0.00 C ATOM 1114 CG ASP A 74 10.466 -5.791 -4.359 1.00 0.00 C ATOM 1115 OD1 ASP A 74 11.487 -6.462 -4.100 1.00 0.00 O ATOM 1116 OD2 ASP A 74 10.068 -4.883 -3.644 1.00 0.00 O ATOM 0 H ASP A 74 8.403 -6.807 -7.515 1.00 0.00 H new ATOM 0 HA ASP A 74 9.046 -8.014 -4.961 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.476 -6.428 -6.369 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.311 -5.169 -6.010 1.00 0.00 H new ATOM 1121 N VAL A 75 6.616 -5.897 -5.343 1.00 0.00 N ATOM 1122 CA VAL A 75 5.498 -5.215 -4.670 1.00 0.00 C ATOM 1123 C VAL A 75 4.567 -6.275 -4.033 1.00 0.00 C ATOM 1124 O VAL A 75 3.929 -7.061 -4.742 1.00 0.00 O ATOM 1125 CB VAL A 75 4.719 -4.283 -5.661 1.00 0.00 C ATOM 1126 CG1 VAL A 75 3.854 -3.280 -4.926 1.00 0.00 C ATOM 1127 CG2 VAL A 75 5.668 -3.557 -6.589 1.00 0.00 C ATOM 0 H VAL A 75 6.624 -5.792 -6.358 1.00 0.00 H new ATOM 0 HA VAL A 75 5.892 -4.572 -3.883 1.00 0.00 H new ATOM 0 HB VAL A 75 4.069 -4.927 -6.253 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.331 -2.653 -5.648 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.127 -3.809 -4.310 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.481 -2.655 -4.290 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.099 -2.918 -7.265 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.353 -2.945 -6.003 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.236 -4.284 -7.169 1.00 0.00 H new ATOM 1137 N SER A 76 4.511 -6.285 -2.696 1.00 0.00 N ATOM 1138 CA SER A 76 3.855 -7.337 -1.936 1.00 0.00 C ATOM 1139 C SER A 76 3.742 -6.918 -0.438 1.00 0.00 C ATOM 1140 O SER A 76 4.568 -6.124 0.047 1.00 0.00 O ATOM 1141 CB SER A 76 4.726 -8.615 -2.054 1.00 0.00 C ATOM 1142 OG SER A 76 4.147 -9.731 -1.400 1.00 0.00 O ATOM 0 H SER A 76 4.924 -5.556 -2.115 1.00 0.00 H new ATOM 0 HA SER A 76 2.852 -7.516 -2.322 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.875 -8.853 -3.107 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.711 -8.420 -1.629 1.00 0.00 H new ATOM 0 HG SER A 76 4.732 -10.511 -1.504 1.00 0.00 H new ATOM 1148 N PRO A 77 2.700 -7.425 0.296 1.00 0.00 N ATOM 1149 CA PRO A 77 2.517 -7.166 1.749 1.00 0.00 C ATOM 1150 C PRO A 77 3.408 -8.053 2.626 1.00 0.00 C ATOM 1151 O PRO A 77 3.465 -7.892 3.856 1.00 0.00 O ATOM 1152 CB PRO A 77 1.054 -7.554 1.990 1.00 0.00 C ATOM 1153 CG PRO A 77 0.756 -8.585 0.959 1.00 0.00 C ATOM 1154 CD PRO A 77 1.594 -8.246 -0.248 1.00 0.00 C ATOM 0 HA PRO A 77 2.773 -6.137 2.002 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.911 -7.948 2.996 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.395 -6.692 1.889 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.995 -9.582 1.328 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.304 -8.585 0.706 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.969 -9.145 -0.738 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.017 -7.695 -0.991 1.00 0.00 H new ATOM 1162 N SER A 78 4.068 -8.989 2.001 1.00 0.00 N ATOM 1163 CA SER A 78 4.910 -9.927 2.691 1.00 0.00 C ATOM 1164 C SER A 78 6.263 -9.361 2.858 1.00 0.00 C ATOM 1165 O SER A 78 6.771 -8.652 1.987 1.00 0.00 O ATOM 1166 CB SER A 78 4.996 -11.217 1.906 1.00 0.00 C ATOM 1167 OG SER A 78 5.786 -12.196 2.568 1.00 0.00 O ATOM 0 H SER A 78 4.036 -9.123 0.990 1.00 0.00 H new ATOM 0 HA SER A 78 4.481 -10.130 3.672 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.992 -11.610 1.745 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.420 -11.014 0.923 1.00 0.00 H new ATOM 0 HG SER A 78 5.814 -13.013 2.028 1.00 0.00 H new ATOM 1173 N LEU A 79 6.855 -9.676 3.966 1.00 0.00 N ATOM 1174 CA LEU A 79 8.154 -9.229 4.239 1.00 0.00 C ATOM 1175 C LEU A 79 9.152 -10.338 4.031 1.00 0.00 C ATOM 1176 O LEU A 79 10.312 -10.251 4.438 1.00 0.00 O ATOM 1177 CB LEU A 79 8.239 -8.554 5.587 1.00 0.00 C ATOM 1178 CG LEU A 79 7.373 -7.293 5.716 1.00 0.00 C ATOM 1179 CD1 LEU A 79 7.710 -6.503 6.969 1.00 0.00 C ATOM 1180 CD2 LEU A 79 7.490 -6.432 4.463 1.00 0.00 C ATOM 0 H LEU A 79 6.438 -10.252 4.698 1.00 0.00 H new ATOM 0 HA LEU A 79 8.421 -8.451 3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.941 -9.266 6.357 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.278 -8.289 5.783 1.00 0.00 H new ATOM 0 HG LEU A 79 6.335 -7.610 5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.075 -5.618 7.023 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.541 -7.125 7.848 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.756 -6.198 6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.869 -5.543 4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.529 -6.134 4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.156 -7.003 3.597 1.00 0.00 H new ATOM 1192 N GLU A 80 8.650 -11.377 3.383 1.00 0.00 N ATOM 1193 CA GLU A 80 9.390 -12.487 2.823 1.00 0.00 C ATOM 1194 C GLU A 80 10.483 -13.045 3.733 1.00 0.00 C ATOM 1195 O GLU A 80 10.223 -13.898 4.587 1.00 0.00 O ATOM 1196 CB GLU A 80 9.956 -12.076 1.477 1.00 0.00 C ATOM 1197 CG GLU A 80 10.495 -13.204 0.683 1.00 0.00 C ATOM 1198 CD GLU A 80 11.035 -12.780 -0.640 1.00 0.00 C ATOM 1199 OE1 GLU A 80 12.228 -12.423 -0.712 1.00 0.00 O ATOM 1200 OE2 GLU A 80 10.286 -12.802 -1.631 1.00 0.00 O ATOM 0 H GLU A 80 7.646 -11.469 3.226 1.00 0.00 H new ATOM 0 HA GLU A 80 8.684 -13.310 2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.174 -11.580 0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.748 -11.344 1.635 1.00 0.00 H new ATOM 0 HG2 GLU A 80 11.285 -13.696 1.251 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.707 -13.941 0.528 1.00 0.00 H new ATOM 1207 N GLY A 81 11.688 -12.537 3.549 1.00 0.00 N ATOM 1208 CA GLY A 81 12.801 -12.929 4.322 1.00 0.00 C ATOM 1209 C GLY A 81 13.727 -11.765 4.488 1.00 0.00 C ATOM 1210 O GLY A 81 14.952 -11.911 4.539 1.00 0.00 O ATOM 0 H GLY A 81 11.900 -11.832 2.843 1.00 0.00 H new ATOM 0 HA2 GLY A 81 12.472 -13.288 5.297 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.321 -13.755 3.837 1.00 0.00 H new ATOM 1214 N LEU A 82 13.126 -10.605 4.542 1.00 0.00 N ATOM 1215 CA LEU A 82 13.806 -9.345 4.681 1.00 0.00 C ATOM 1216 C LEU A 82 14.415 -9.215 6.055 1.00 0.00 C ATOM 1217 O LEU A 82 13.851 -9.688 7.040 1.00 0.00 O ATOM 1218 CB LEU A 82 12.794 -8.239 4.455 1.00 0.00 C ATOM 1219 CG LEU A 82 12.248 -8.135 3.036 1.00 0.00 C ATOM 1220 CD1 LEU A 82 10.950 -7.412 3.058 1.00 0.00 C ATOM 1221 CD2 LEU A 82 13.191 -7.343 2.198 1.00 0.00 C ATOM 0 H LEU A 82 12.112 -10.509 4.488 1.00 0.00 H new ATOM 0 HA LEU A 82 14.613 -9.279 3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.958 -8.389 5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 82 13.255 -7.288 4.720 1.00 0.00 H new ATOM 0 HG LEU A 82 12.123 -9.139 2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.558 -7.337 2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.241 -7.956 3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.098 -6.412 3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.801 -7.268 1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.301 -6.344 2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.163 -7.837 2.178 1.00 0.00 H new ATOM 1233 N THR A 83 15.550 -8.593 6.119 1.00 0.00 N ATOM 1234 CA THR A 83 16.227 -8.396 7.359 1.00 0.00 C ATOM 1235 C THR A 83 15.765 -7.108 8.019 1.00 0.00 C ATOM 1236 O THR A 83 14.918 -6.379 7.459 1.00 0.00 O ATOM 1237 CB THR A 83 17.739 -8.377 7.152 1.00 0.00 C ATOM 1238 OG1 THR A 83 18.067 -7.423 6.145 1.00 0.00 O ATOM 1239 CG2 THR A 83 18.233 -9.742 6.740 1.00 0.00 C ATOM 0 H THR A 83 16.034 -8.206 5.309 1.00 0.00 H new ATOM 0 HA THR A 83 15.982 -9.229 8.017 1.00 0.00 H new ATOM 0 HB THR A 83 18.221 -8.102 8.090 1.00 0.00 H new ATOM 0 HG1 THR A 83 19.038 -7.408 6.012 1.00 0.00 H new ATOM 0 HG21 THR A 83 19.313 -9.710 6.597 1.00 0.00 H new ATOM 0 HG22 THR A 83 17.991 -10.466 7.518 1.00 0.00 H new ATOM 0 HG23 THR A 83 17.752 -10.037 5.807 1.00 0.00 H new ATOM 1247 N GLU A 84 16.330 -6.811 9.176 1.00 0.00 N ATOM 1248 CA GLU A 84 15.930 -5.673 9.971 1.00 0.00 C ATOM 1249 C GLU A 84 15.972 -4.356 9.187 1.00 0.00 C ATOM 1250 O GLU A 84 15.003 -3.606 9.195 1.00 0.00 O ATOM 1251 CB GLU A 84 16.836 -5.553 11.193 1.00 0.00 C ATOM 1252 CG GLU A 84 16.460 -4.416 12.118 1.00 0.00 C ATOM 1253 CD GLU A 84 17.454 -4.217 13.226 1.00 0.00 C ATOM 1254 OE1 GLU A 84 17.305 -4.843 14.288 1.00 0.00 O ATOM 1255 OE2 GLU A 84 18.400 -3.422 13.046 1.00 0.00 O ATOM 0 H GLU A 84 17.084 -7.359 9.590 1.00 0.00 H new ATOM 0 HA GLU A 84 14.896 -5.845 10.271 1.00 0.00 H new ATOM 0 HB2 GLU A 84 16.805 -6.489 11.751 1.00 0.00 H new ATOM 0 HB3 GLU A 84 17.864 -5.414 10.860 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.377 -3.495 11.540 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.478 -4.612 12.548 1.00 0.00 H new ATOM 1262 N LYS A 85 17.053 -4.100 8.462 1.00 0.00 N ATOM 1263 CA LYS A 85 17.188 -2.802 7.800 1.00 0.00 C ATOM 1264 C LYS A 85 16.263 -2.704 6.580 1.00 0.00 C ATOM 1265 O LYS A 85 15.816 -1.624 6.210 1.00 0.00 O ATOM 1266 CB LYS A 85 18.666 -2.473 7.452 1.00 0.00 C ATOM 1267 CG LYS A 85 19.193 -2.927 6.089 1.00 0.00 C ATOM 1268 CD LYS A 85 19.017 -4.401 5.798 1.00 0.00 C ATOM 1269 CE LYS A 85 19.760 -4.816 4.530 1.00 0.00 C ATOM 1270 NZ LYS A 85 21.223 -4.639 4.652 1.00 0.00 N ATOM 0 H LYS A 85 17.828 -4.748 8.317 1.00 0.00 H new ATOM 0 HA LYS A 85 16.868 -2.038 8.508 1.00 0.00 H new ATOM 0 HB2 LYS A 85 18.794 -1.393 7.518 1.00 0.00 H new ATOM 0 HB3 LYS A 85 19.299 -2.916 8.221 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.687 -2.355 5.311 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.253 -2.683 6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 85 19.383 -4.985 6.642 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.956 -4.627 5.689 1.00 0.00 H new ATOM 0 HE2 LYS A 85 19.540 -5.860 4.308 1.00 0.00 H new ATOM 0 HE3 LYS A 85 19.394 -4.228 3.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 21.703 -5.519 4.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.532 -3.865 4.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 21.464 -4.408 5.637 1.00 0.00 H new ATOM 1284 N GLU A 86 15.951 -3.858 6.002 1.00 0.00 N ATOM 1285 CA GLU A 86 15.120 -3.962 4.848 1.00 0.00 C ATOM 1286 C GLU A 86 13.728 -3.559 5.223 1.00 0.00 C ATOM 1287 O GLU A 86 13.109 -2.694 4.605 1.00 0.00 O ATOM 1288 CB GLU A 86 15.107 -5.411 4.428 1.00 0.00 C ATOM 1289 CG GLU A 86 16.398 -5.955 3.868 1.00 0.00 C ATOM 1290 CD GLU A 86 16.794 -5.337 2.551 1.00 0.00 C ATOM 1291 OE1 GLU A 86 17.204 -4.162 2.522 1.00 0.00 O ATOM 1292 OE2 GLU A 86 16.711 -6.036 1.526 1.00 0.00 O ATOM 0 H GLU A 86 16.286 -4.759 6.345 1.00 0.00 H new ATOM 0 HA GLU A 86 15.486 -3.325 4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.827 -6.015 5.291 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.326 -5.543 3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.196 -5.790 4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.303 -7.033 3.740 1.00 0.00 H new ATOM 1299 N ILE A 87 13.264 -4.179 6.269 1.00 0.00 N ATOM 1300 CA ILE A 87 11.974 -3.928 6.818 1.00 0.00 C ATOM 1301 C ILE A 87 11.896 -2.483 7.338 1.00 0.00 C ATOM 1302 O ILE A 87 10.909 -1.782 7.111 1.00 0.00 O ATOM 1303 CB ILE A 87 11.722 -4.901 7.964 1.00 0.00 C ATOM 1304 CG1 ILE A 87 11.711 -6.349 7.468 1.00 0.00 C ATOM 1305 CG2 ILE A 87 10.444 -4.570 8.708 1.00 0.00 C ATOM 1306 CD1 ILE A 87 11.541 -7.356 8.583 1.00 0.00 C ATOM 0 H ILE A 87 13.791 -4.892 6.773 1.00 0.00 H new ATOM 0 HA ILE A 87 11.218 -4.065 6.045 1.00 0.00 H new ATOM 0 HB ILE A 87 12.547 -4.794 8.668 1.00 0.00 H new ATOM 0 HG12 ILE A 87 10.903 -6.474 6.747 1.00 0.00 H new ATOM 0 HG13 ILE A 87 12.643 -6.553 6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.299 -5.285 9.517 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.514 -3.564 9.121 1.00 0.00 H new ATOM 0 HG23 ILE A 87 9.599 -4.622 8.021 1.00 0.00 H new ATOM 0 HD11 ILE A 87 11.541 -8.363 8.167 1.00 0.00 H new ATOM 0 HD12 ILE A 87 12.363 -7.256 9.292 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.596 -7.175 9.095 1.00 0.00 H new ATOM 1318 N ASN A 88 12.964 -2.034 8.006 1.00 0.00 N ATOM 1319 CA ASN A 88 13.011 -0.666 8.546 1.00 0.00 C ATOM 1320 C ASN A 88 12.864 0.378 7.506 1.00 0.00 C ATOM 1321 O ASN A 88 12.286 1.424 7.760 1.00 0.00 O ATOM 1322 CB ASN A 88 14.230 -0.383 9.406 1.00 0.00 C ATOM 1323 CG ASN A 88 14.016 -0.762 10.857 1.00 0.00 C ATOM 1324 OD1 ASN A 88 13.549 0.041 11.646 1.00 0.00 O ATOM 1325 ND2 ASN A 88 14.330 -1.968 11.215 1.00 0.00 N ATOM 0 H ASN A 88 13.801 -2.589 8.186 1.00 0.00 H new ATOM 0 HA ASN A 88 12.139 -0.616 9.199 1.00 0.00 H new ATOM 0 HB2 ASN A 88 15.084 -0.933 9.012 1.00 0.00 H new ATOM 0 HB3 ASN A 88 14.477 0.677 9.343 1.00 0.00 H new ATOM 0 HD21 ASN A 88 14.188 -2.267 12.180 1.00 0.00 H new ATOM 0 HD22 ASN A 88 14.719 -2.618 10.532 1.00 0.00 H new ATOM 1332 N THR A 89 13.358 0.099 6.338 1.00 0.00 N ATOM 1333 CA THR A 89 13.252 1.014 5.253 1.00 0.00 C ATOM 1334 C THR A 89 11.768 1.284 4.910 1.00 0.00 C ATOM 1335 O THR A 89 11.371 2.428 4.673 1.00 0.00 O ATOM 1336 CB THR A 89 14.016 0.486 4.028 1.00 0.00 C ATOM 1337 OG1 THR A 89 15.407 0.300 4.377 1.00 0.00 O ATOM 1338 CG2 THR A 89 13.921 1.466 2.896 1.00 0.00 C ATOM 0 H THR A 89 13.844 -0.769 6.115 1.00 0.00 H new ATOM 0 HA THR A 89 13.704 1.960 5.552 1.00 0.00 H new ATOM 0 HB THR A 89 13.577 -0.462 3.718 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.485 -0.422 5.035 1.00 0.00 H new ATOM 0 HG21 THR A 89 14.466 1.081 2.034 1.00 0.00 H new ATOM 0 HG22 THR A 89 12.875 1.612 2.628 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.353 2.419 3.202 1.00 0.00 H new ATOM 1346 N LEU A 90 10.939 0.238 4.964 1.00 0.00 N ATOM 1347 CA LEU A 90 9.534 0.383 4.625 1.00 0.00 C ATOM 1348 C LEU A 90 8.882 1.109 5.765 1.00 0.00 C ATOM 1349 O LEU A 90 7.946 1.859 5.593 1.00 0.00 O ATOM 1350 CB LEU A 90 8.869 -0.985 4.420 1.00 0.00 C ATOM 1351 CG LEU A 90 8.002 -1.506 5.561 1.00 0.00 C ATOM 1352 CD1 LEU A 90 6.549 -1.046 5.442 1.00 0.00 C ATOM 1353 CD2 LEU A 90 8.115 -2.972 5.723 1.00 0.00 C ATOM 0 H LEU A 90 11.218 -0.704 5.236 1.00 0.00 H new ATOM 0 HA LEU A 90 9.426 0.934 3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.253 -0.932 3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.652 -1.718 4.227 1.00 0.00 H new ATOM 0 HG LEU A 90 8.392 -1.061 6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.972 -1.443 6.277 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.510 0.043 5.459 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.128 -1.410 4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.480 -3.297 6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.798 -3.465 4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.151 -3.236 5.937 1.00 0.00 H new ATOM 1365 N ASN A 91 9.377 0.828 6.946 1.00 0.00 N ATOM 1366 CA ASN A 91 8.925 1.476 8.135 1.00 0.00 C ATOM 1367 C ASN A 91 9.112 2.994 8.052 1.00 0.00 C ATOM 1368 O ASN A 91 8.226 3.752 8.474 1.00 0.00 O ATOM 1369 CB ASN A 91 9.581 0.871 9.377 1.00 0.00 C ATOM 1370 CG ASN A 91 9.069 -0.535 9.715 1.00 0.00 C ATOM 1371 OD1 ASN A 91 7.912 -0.886 9.437 1.00 0.00 O ATOM 1372 ND2 ASN A 91 9.914 -1.347 10.324 1.00 0.00 N ATOM 0 H ASN A 91 10.110 0.136 7.101 1.00 0.00 H new ATOM 0 HA ASN A 91 7.853 1.301 8.228 1.00 0.00 H new ATOM 0 HB2 ASN A 91 10.660 0.830 9.225 1.00 0.00 H new ATOM 0 HB3 ASN A 91 9.404 1.528 10.228 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.621 -2.290 10.578 1.00 0.00 H new ATOM 0 HD22 ASN A 91 10.859 -1.031 10.540 1.00 0.00 H new ATOM 1379 N ASP A 92 10.244 3.445 7.481 1.00 0.00 N ATOM 1380 CA ASP A 92 10.466 4.893 7.246 1.00 0.00 C ATOM 1381 C ASP A 92 9.439 5.370 6.249 1.00 0.00 C ATOM 1382 O ASP A 92 8.843 6.424 6.402 1.00 0.00 O ATOM 1383 CB ASP A 92 11.853 5.203 6.658 1.00 0.00 C ATOM 1384 CG ASP A 92 13.026 4.754 7.491 1.00 0.00 C ATOM 1385 OD1 ASP A 92 13.180 5.224 8.645 1.00 0.00 O ATOM 1386 OD2 ASP A 92 13.846 3.968 6.984 1.00 0.00 O ATOM 0 H ASP A 92 11.010 2.844 7.177 1.00 0.00 H new ATOM 0 HA ASP A 92 10.388 5.393 8.211 1.00 0.00 H new ATOM 0 HB2 ASP A 92 11.926 4.734 5.677 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.930 6.279 6.503 1.00 0.00 H new ATOM 1391 N TRP A 93 9.244 4.560 5.227 1.00 0.00 N ATOM 1392 CA TRP A 93 8.250 4.781 4.196 1.00 0.00 C ATOM 1393 C TRP A 93 6.871 4.974 4.743 1.00 0.00 C ATOM 1394 O TRP A 93 6.199 5.948 4.409 1.00 0.00 O ATOM 1395 CB TRP A 93 8.284 3.643 3.208 1.00 0.00 C ATOM 1396 CG TRP A 93 9.245 3.830 2.083 1.00 0.00 C ATOM 1397 CD1 TRP A 93 10.474 3.282 1.955 1.00 0.00 C ATOM 1398 CD2 TRP A 93 9.049 4.646 0.918 1.00 0.00 C ATOM 1399 NE1 TRP A 93 11.054 3.685 0.783 1.00 0.00 N ATOM 1400 CE2 TRP A 93 10.198 4.520 0.125 1.00 0.00 C ATOM 1401 CE3 TRP A 93 8.007 5.459 0.469 1.00 0.00 C ATOM 1402 CZ2 TRP A 93 10.340 5.180 -1.095 1.00 0.00 C ATOM 1403 CZ3 TRP A 93 8.146 6.113 -0.738 1.00 0.00 C ATOM 1404 CH2 TRP A 93 9.301 5.967 -1.508 1.00 0.00 C ATOM 0 H TRP A 93 9.787 3.708 5.087 1.00 0.00 H new ATOM 0 HA TRP A 93 8.505 5.713 3.691 1.00 0.00 H new ATOM 0 HB2 TRP A 93 8.539 2.725 3.738 1.00 0.00 H new ATOM 0 HB3 TRP A 93 7.284 3.506 2.796 1.00 0.00 H new ATOM 0 HD1 TRP A 93 10.933 2.620 2.675 1.00 0.00 H new ATOM 0 HE1 TRP A 93 11.978 3.406 0.454 1.00 0.00 H new ATOM 0 HE3 TRP A 93 7.108 5.574 1.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 11.235 5.074 -1.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 7.348 6.748 -1.093 1.00 0.00 H new ATOM 0 HH2 TRP A 93 9.376 6.487 -2.451 1.00 0.00 H new ATOM 1415 N GLU A 94 6.457 4.082 5.592 1.00 0.00 N ATOM 1416 CA GLU A 94 5.159 4.149 6.182 1.00 0.00 C ATOM 1417 C GLU A 94 5.026 5.441 6.990 1.00 0.00 C ATOM 1418 O GLU A 94 4.014 6.089 6.951 1.00 0.00 O ATOM 1419 CB GLU A 94 4.919 2.946 7.061 1.00 0.00 C ATOM 1420 CG GLU A 94 3.493 2.844 7.495 1.00 0.00 C ATOM 1421 CD GLU A 94 3.226 1.688 8.432 1.00 0.00 C ATOM 1422 OE1 GLU A 94 4.039 1.456 9.357 1.00 0.00 O ATOM 1423 OE2 GLU A 94 2.179 1.037 8.296 1.00 0.00 O ATOM 0 H GLU A 94 7.015 3.284 5.895 1.00 0.00 H new ATOM 0 HA GLU A 94 4.408 4.148 5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 94 5.199 2.041 6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.562 3.005 7.939 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.204 3.773 7.986 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.860 2.740 6.614 1.00 0.00 H new ATOM 1430 N THR A 95 6.097 5.800 7.673 1.00 0.00 N ATOM 1431 CA THR A 95 6.211 7.026 8.454 1.00 0.00 C ATOM 1432 C THR A 95 5.996 8.282 7.565 1.00 0.00 C ATOM 1433 O THR A 95 5.528 9.318 8.032 1.00 0.00 O ATOM 1434 CB THR A 95 7.616 7.094 9.108 1.00 0.00 C ATOM 1435 OG1 THR A 95 7.819 5.923 9.924 1.00 0.00 O ATOM 1436 CG2 THR A 95 7.765 8.332 9.976 1.00 0.00 C ATOM 0 H THR A 95 6.942 5.230 7.703 1.00 0.00 H new ATOM 0 HA THR A 95 5.439 7.013 9.223 1.00 0.00 H new ATOM 0 HB THR A 95 8.358 7.140 8.311 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.255 5.225 9.392 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.761 8.348 10.419 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.625 9.224 9.365 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.016 8.313 10.768 1.00 0.00 H new ATOM 1444 N LYS A 96 6.319 8.168 6.288 1.00 0.00 N ATOM 1445 CA LYS A 96 6.154 9.272 5.372 1.00 0.00 C ATOM 1446 C LYS A 96 4.697 9.408 5.052 1.00 0.00 C ATOM 1447 O LYS A 96 4.133 10.495 5.063 1.00 0.00 O ATOM 1448 CB LYS A 96 7.014 9.077 4.126 1.00 0.00 C ATOM 1449 CG LYS A 96 8.503 9.080 4.444 1.00 0.00 C ATOM 1450 CD LYS A 96 9.353 8.874 3.216 1.00 0.00 C ATOM 1451 CE LYS A 96 10.828 8.981 3.566 1.00 0.00 C ATOM 1452 NZ LYS A 96 11.697 8.851 2.383 1.00 0.00 N ATOM 0 H LYS A 96 6.697 7.319 5.867 1.00 0.00 H new ATOM 0 HA LYS A 96 6.496 10.200 5.830 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.749 8.134 3.648 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.796 9.869 3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.770 10.027 4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.719 8.294 5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.146 7.895 2.783 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.097 9.617 2.461 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.016 9.941 4.048 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.084 8.206 4.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.693 8.931 2.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.540 7.925 1.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.473 9.606 1.703 1.00 0.00 H new ATOM 1466 N PHE A 97 4.082 8.282 4.827 1.00 0.00 N ATOM 1467 CA PHE A 97 2.664 8.209 4.634 1.00 0.00 C ATOM 1468 C PHE A 97 1.948 8.670 5.897 1.00 0.00 C ATOM 1469 O PHE A 97 0.999 9.412 5.840 1.00 0.00 O ATOM 1470 CB PHE A 97 2.272 6.801 4.255 1.00 0.00 C ATOM 1471 CG PHE A 97 2.594 6.427 2.839 1.00 0.00 C ATOM 1472 CD1 PHE A 97 3.883 6.114 2.455 1.00 0.00 C ATOM 1473 CD2 PHE A 97 1.592 6.377 1.890 1.00 0.00 C ATOM 1474 CE1 PHE A 97 4.166 5.757 1.156 1.00 0.00 C ATOM 1475 CE2 PHE A 97 1.869 6.024 0.592 1.00 0.00 C ATOM 1476 CZ PHE A 97 3.158 5.714 0.226 1.00 0.00 C ATOM 0 H PHE A 97 4.557 7.381 4.772 1.00 0.00 H new ATOM 0 HA PHE A 97 2.367 8.870 3.820 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.775 6.104 4.925 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.201 6.680 4.415 1.00 0.00 H new ATOM 0 HD1 PHE A 97 4.680 6.150 3.183 1.00 0.00 H new ATOM 0 HD2 PHE A 97 0.578 6.619 2.172 1.00 0.00 H new ATOM 0 HE1 PHE A 97 5.178 5.512 0.870 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.076 5.990 -0.140 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.377 5.436 -0.794 1.00 0.00 H new ATOM 1486 N GLU A 98 2.478 8.259 7.019 1.00 0.00 N ATOM 1487 CA GLU A 98 2.035 8.652 8.355 1.00 0.00 C ATOM 1488 C GLU A 98 2.024 10.175 8.560 1.00 0.00 C ATOM 1489 O GLU A 98 1.350 10.677 9.467 1.00 0.00 O ATOM 1490 CB GLU A 98 2.919 7.965 9.398 1.00 0.00 C ATOM 1491 CG GLU A 98 2.579 6.513 9.660 1.00 0.00 C ATOM 1492 CD GLU A 98 1.219 6.342 10.285 1.00 0.00 C ATOM 1493 OE1 GLU A 98 1.114 6.389 11.527 1.00 0.00 O ATOM 1494 OE2 GLU A 98 0.235 6.138 9.551 1.00 0.00 O ATOM 0 H GLU A 98 3.266 7.612 7.041 1.00 0.00 H new ATOM 0 HA GLU A 98 1.001 8.329 8.472 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.957 8.027 9.072 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.846 8.516 10.336 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.616 5.960 8.722 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.334 6.079 10.316 1.00 0.00 H new ATOM 1501 N ALA A 99 2.747 10.901 7.729 1.00 0.00 N ATOM 1502 CA ALA A 99 2.841 12.319 7.875 1.00 0.00 C ATOM 1503 C ALA A 99 1.977 13.032 6.848 1.00 0.00 C ATOM 1504 O ALA A 99 1.813 14.250 6.915 1.00 0.00 O ATOM 1505 CB ALA A 99 4.291 12.769 7.771 1.00 0.00 C ATOM 0 H ALA A 99 3.276 10.518 6.945 1.00 0.00 H new ATOM 0 HA ALA A 99 2.469 12.585 8.864 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.345 13.852 7.884 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.877 12.292 8.557 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.691 12.486 6.797 1.00 0.00 H new ATOM 1511 N LYS A 100 1.403 12.283 5.903 1.00 0.00 N ATOM 1512 CA LYS A 100 0.602 12.892 4.861 1.00 0.00 C ATOM 1513 C LYS A 100 -0.641 12.080 4.557 1.00 0.00 C ATOM 1514 O LYS A 100 -1.761 12.502 4.824 1.00 0.00 O ATOM 1515 CB LYS A 100 1.397 13.111 3.541 1.00 0.00 C ATOM 1516 CG LYS A 100 2.491 14.180 3.557 1.00 0.00 C ATOM 1517 CD LYS A 100 3.801 13.644 4.062 1.00 0.00 C ATOM 1518 CE LYS A 100 4.426 12.699 3.052 1.00 0.00 C ATOM 1519 NZ LYS A 100 4.873 13.391 1.820 1.00 0.00 N ATOM 0 H LYS A 100 1.481 11.268 5.845 1.00 0.00 H new ATOM 0 HA LYS A 100 0.311 13.866 5.254 1.00 0.00 H new ATOM 0 HB2 LYS A 100 1.855 12.162 3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 100 0.686 13.366 2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 100 2.626 14.575 2.550 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.174 15.012 4.186 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.483 14.470 4.263 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.645 13.122 5.006 1.00 0.00 H new ATOM 0 HE2 LYS A 100 5.277 12.196 3.510 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.704 11.927 2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.509 12.767 1.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.046 13.629 1.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.378 14.263 2.076 1.00 0.00 H new ATOM 1533 N TYR A 101 -0.424 10.917 4.026 1.00 0.00 N ATOM 1534 CA TYR A 101 -1.482 10.050 3.546 1.00 0.00 C ATOM 1535 C TYR A 101 -2.259 9.364 4.684 1.00 0.00 C ATOM 1536 O TYR A 101 -1.671 8.760 5.576 1.00 0.00 O ATOM 1537 CB TYR A 101 -0.885 9.035 2.590 1.00 0.00 C ATOM 1538 CG TYR A 101 -0.234 9.681 1.381 1.00 0.00 C ATOM 1539 CD1 TYR A 101 -1.003 10.205 0.359 1.00 0.00 C ATOM 1540 CD2 TYR A 101 1.145 9.791 1.280 1.00 0.00 C ATOM 1541 CE1 TYR A 101 -0.423 10.812 -0.732 1.00 0.00 C ATOM 1542 CE2 TYR A 101 1.733 10.403 0.194 1.00 0.00 C ATOM 1543 CZ TYR A 101 0.943 10.911 -0.808 1.00 0.00 C ATOM 1544 OH TYR A 101 1.522 11.538 -1.886 1.00 0.00 O ATOM 0 H TYR A 101 0.510 10.525 3.907 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.216 10.663 3.024 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -0.144 8.435 3.119 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -1.667 8.353 2.256 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.079 10.137 0.417 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.768 9.390 2.066 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.041 11.208 -1.524 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.808 10.483 0.131 1.00 0.00 H new ATOM 0 HH TYR A 101 2.497 11.524 -1.788 1.00 0.00 H new ATOM 1554 N PRO A 102 -3.593 9.472 4.669 1.00 0.00 N ATOM 1555 CA PRO A 102 -4.449 8.901 5.705 1.00 0.00 C ATOM 1556 C PRO A 102 -4.705 7.404 5.522 1.00 0.00 C ATOM 1557 O PRO A 102 -4.854 6.909 4.394 1.00 0.00 O ATOM 1558 CB PRO A 102 -5.755 9.674 5.524 1.00 0.00 C ATOM 1559 CG PRO A 102 -5.812 9.937 4.064 1.00 0.00 C ATOM 1560 CD PRO A 102 -4.388 10.183 3.642 1.00 0.00 C ATOM 0 HA PRO A 102 -3.995 8.986 6.692 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.614 9.092 5.859 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.754 10.601 6.098 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.238 9.088 3.529 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.441 10.800 3.845 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.193 9.793 2.643 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.154 11.247 3.620 1.00 0.00 H new ATOM 1568 N VAL A 103 -4.746 6.697 6.630 1.00 0.00 N ATOM 1569 CA VAL A 103 -5.090 5.286 6.627 1.00 0.00 C ATOM 1570 C VAL A 103 -6.598 5.172 6.581 1.00 0.00 C ATOM 1571 O VAL A 103 -7.287 5.464 7.557 1.00 0.00 O ATOM 1572 CB VAL A 103 -4.544 4.523 7.872 1.00 0.00 C ATOM 1573 CG1 VAL A 103 -4.987 3.062 7.848 1.00 0.00 C ATOM 1574 CG2 VAL A 103 -3.036 4.587 7.915 1.00 0.00 C ATOM 0 H VAL A 103 -4.544 7.078 7.554 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.626 4.825 5.755 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.950 5.004 8.762 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.595 2.548 8.726 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.076 3.012 7.854 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -4.607 2.581 6.947 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.674 4.049 8.791 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.627 4.131 7.014 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.717 5.628 7.971 1.00 0.00 H new ATOM 1584 N VAL A 104 -7.104 4.787 5.448 1.00 0.00 N ATOM 1585 CA VAL A 104 -8.538 4.705 5.244 1.00 0.00 C ATOM 1586 C VAL A 104 -9.068 3.285 5.416 1.00 0.00 C ATOM 1587 O VAL A 104 -10.271 3.038 5.282 1.00 0.00 O ATOM 1588 CB VAL A 104 -8.965 5.283 3.874 1.00 0.00 C ATOM 1589 CG1 VAL A 104 -8.665 6.774 3.817 1.00 0.00 C ATOM 1590 CG2 VAL A 104 -8.251 4.564 2.740 1.00 0.00 C ATOM 0 H VAL A 104 -6.547 4.520 4.637 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.987 5.322 6.022 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.038 5.131 3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.970 7.170 2.848 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.214 7.286 4.607 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.596 6.936 3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.566 4.986 1.786 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.174 4.686 2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.501 3.503 2.767 1.00 0.00 H new ATOM 1600 N GLY A 105 -8.190 2.358 5.711 1.00 0.00 N ATOM 1601 CA GLY A 105 -8.623 1.013 5.945 1.00 0.00 C ATOM 1602 C GLY A 105 -7.487 0.042 6.025 1.00 0.00 C ATOM 1603 O GLY A 105 -6.350 0.430 6.269 1.00 0.00 O ATOM 0 H GLY A 105 -7.185 2.512 5.793 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.192 0.976 6.874 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -9.298 0.710 5.145 1.00 0.00 H new ATOM 1607 N ARG A 106 -7.782 -1.209 5.816 1.00 0.00 N ATOM 1608 CA ARG A 106 -6.781 -2.251 5.869 1.00 0.00 C ATOM 1609 C ARG A 106 -6.803 -3.050 4.651 1.00 0.00 C ATOM 1610 O ARG A 106 -7.800 -3.082 3.947 1.00 0.00 O ATOM 1611 CB ARG A 106 -7.038 -3.247 6.974 1.00 0.00 C ATOM 1612 CG ARG A 106 -8.383 -3.913 6.926 1.00 0.00 C ATOM 1613 CD ARG A 106 -8.395 -5.058 7.880 1.00 0.00 C ATOM 1614 NE ARG A 106 -8.031 -4.653 9.244 1.00 0.00 N ATOM 1615 CZ ARG A 106 -7.623 -5.489 10.210 1.00 0.00 C ATOM 1616 NH1 ARG A 106 -7.518 -6.793 9.978 1.00 0.00 N ATOM 1617 NH2 ARG A 106 -7.325 -5.016 11.400 1.00 0.00 N ATOM 0 H ARG A 106 -8.722 -1.542 5.603 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.837 -1.727 6.020 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.267 -4.016 6.936 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.935 -2.739 7.933 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.165 -3.200 7.185 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.593 -4.263 5.915 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.387 -5.509 7.890 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -7.701 -5.824 7.534 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.093 -3.661 9.474 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -7.749 -7.167 9.058 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.207 -7.420 10.720 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -7.404 -4.016 11.586 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -7.014 -5.649 12.137 1.00 0.00 H new ATOM 1631 N VAL A 107 -5.736 -3.724 4.417 1.00 0.00 N ATOM 1632 CA VAL A 107 -5.726 -4.689 3.425 1.00 0.00 C ATOM 1633 C VAL A 107 -5.423 -6.005 4.082 1.00 0.00 C ATOM 1634 O VAL A 107 -4.618 -6.084 5.029 1.00 0.00 O ATOM 1635 CB VAL A 107 -4.776 -4.423 2.250 1.00 0.00 C ATOM 1636 CG1 VAL A 107 -3.341 -4.587 2.622 1.00 0.00 C ATOM 1637 CG2 VAL A 107 -5.153 -5.297 1.104 1.00 0.00 C ATOM 0 H VAL A 107 -4.855 -3.609 4.918 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.710 -4.682 2.955 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.884 -3.379 1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.715 -4.387 1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.090 -3.888 3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.169 -5.607 2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.480 -5.110 0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.078 -6.342 1.404 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.177 -5.079 0.801 1.00 0.00 H new ATOM 1647 N VAL A 108 -6.106 -6.989 3.658 1.00 0.00 N ATOM 1648 CA VAL A 108 -6.010 -8.288 4.206 1.00 0.00 C ATOM 1649 C VAL A 108 -5.797 -9.255 3.078 1.00 0.00 C ATOM 1650 O VAL A 108 -6.390 -9.093 2.004 1.00 0.00 O ATOM 1651 CB VAL A 108 -7.326 -8.621 4.968 1.00 0.00 C ATOM 1652 CG1 VAL A 108 -7.537 -7.589 5.997 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -8.501 -8.531 4.070 1.00 0.00 C ATOM 0 H VAL A 108 -6.774 -6.916 2.891 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.178 -8.354 4.907 1.00 0.00 H new ATOM 0 HB VAL A 108 -7.232 -9.627 5.377 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.455 -7.803 6.544 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.695 -7.587 6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.618 -6.612 5.521 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.406 -8.769 4.630 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -8.577 -7.520 3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.386 -9.238 3.249 1.00 0.00 H new ATOM 1663 N SER A 109 -4.916 -10.180 3.242 1.00 0.00 N ATOM 1664 CA SER A 109 -4.751 -11.147 2.229 1.00 0.00 C ATOM 1665 C SER A 109 -4.324 -12.478 2.797 1.00 0.00 C ATOM 1666 O SER A 109 -5.174 -13.365 2.944 1.00 0.00 O ATOM 1667 CB SER A 109 -3.782 -10.631 1.174 1.00 0.00 C ATOM 1668 OG SER A 109 -2.495 -10.365 1.724 1.00 0.00 O ATOM 1669 OXT SER A 109 -3.132 -12.612 3.184 1.00 0.00 O ATOM 0 H SER A 109 -4.310 -10.282 4.056 1.00 0.00 H new ATOM 0 HA SER A 109 -5.714 -11.318 1.747 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.691 -11.365 0.374 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.182 -9.721 0.727 1.00 0.00 H new ATOM 0 HG SER A 109 -2.243 -11.090 2.333 1.00 0.00 H new