USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 528 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 15 ASN : amide:sc= -0.327 K(o=-0.57,f=0.14!) USER MOD Set 1.2: A 43 CYS SG : rot 180:sc= -0.245 USER MOD Set 2.1: A 25 GLN : amide:sc= -0.714 K(o=-0.62,f=0.13) USER MOD Set 2.2: A 40 ASN : amide:sc= 0.0902 K(o=-0.62,f=0.13) USER MOD Set 3.1: A 23 LYS NZ :NH3+ 172:sc= 2.01 (180deg=1.13) USER MOD Set 3.2: A 31 SER OG : rot 170:sc= 0.00411 USER MOD Set 3.3: A 60 TYR OH : rot 120:sc= 0.747 USER MOD Single : A 5 LYS NZ :NH3+ -176:sc=-0.000867 (180deg=-0.0191) USER MOD Single : A 6 GLN : amide:sc= 1.13 K(o=1.1,f=-0.046) USER MOD Single : A 7 LYS NZ :NH3+ 135:sc=-0.00304 (180deg=-0.183) USER MOD Single : A 11 SER OG : rot 74:sc= 0.376 USER MOD Single : A 13 ASN : amide:sc= 1.02 K(o=1,f=-0.81) USER MOD Single : A 16 SER OG : rot 93:sc= 1.31 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot -91:sc= 1.23 USER MOD Single : A 24 THR OG1 : rot 180:sc= -2.27! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc=-0.000652 K(o=-0.00065,f=-0.81) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 9:sc= 1.2 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 159:sc= -0.143 (180deg=-0.706) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.373 K(o=-0.37,f=-1.4) USER MOD Single : A 62 ASN : amide:sc= -0.0417 X(o=-0.042,f=-0.11) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 43:sc= 0.106 USER MOD ----------------------------------------------------------------- ATOM 70 N LYS A 5 10.453 9.477 5.283 1.00 0.00 N ATOM 71 CA LYS A 5 9.394 8.686 5.919 1.00 0.00 C ATOM 72 C LYS A 5 8.458 8.026 4.897 1.00 0.00 C ATOM 73 O LYS A 5 7.836 7.001 5.184 1.00 0.00 O ATOM 74 CB LYS A 5 8.589 9.610 6.845 1.00 0.00 C ATOM 75 CG LYS A 5 7.585 8.909 7.753 1.00 0.00 C ATOM 76 CD LYS A 5 6.863 9.919 8.637 1.00 0.00 C ATOM 77 CE LYS A 5 5.912 9.259 9.627 1.00 0.00 C ATOM 78 NZ LYS A 5 4.800 8.543 8.946 1.00 0.00 N ATOM 0 HA LYS A 5 9.862 7.879 6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.287 10.171 7.467 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.054 10.335 6.232 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.860 8.363 7.149 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.099 8.176 8.375 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.599 10.508 9.184 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.303 10.612 8.008 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.467 8.557 10.249 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.500 10.017 10.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.141 8.167 9.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.294 9.202 8.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.186 7.758 8.383 1.00 0.00 H new ATOM 92 N GLN A 6 8.365 8.616 3.710 1.00 0.00 N ATOM 93 CA GLN A 6 7.406 8.173 2.693 1.00 0.00 C ATOM 94 C GLN A 6 7.623 6.714 2.285 1.00 0.00 C ATOM 95 O GLN A 6 6.658 5.956 2.146 1.00 0.00 O ATOM 96 CB GLN A 6 7.485 9.084 1.460 1.00 0.00 C ATOM 97 CG GLN A 6 6.522 8.704 0.340 1.00 0.00 C ATOM 98 CD GLN A 6 5.062 8.720 0.768 1.00 0.00 C ATOM 99 OE1 GLN A 6 4.386 9.744 0.679 1.00 0.00 O ATOM 100 NE2 GLN A 6 4.563 7.576 1.216 1.00 0.00 N ATOM 0 H GLN A 6 8.943 9.406 3.424 1.00 0.00 H new ATOM 0 HA GLN A 6 6.412 8.241 3.135 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.282 10.110 1.766 1.00 0.00 H new ATOM 0 HB3 GLN A 6 8.503 9.063 1.071 1.00 0.00 H new ATOM 0 HG2 GLN A 6 6.656 9.393 -0.494 1.00 0.00 H new ATOM 0 HG3 GLN A 6 6.775 7.709 -0.025 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.157 6.749 1.275 1.00 0.00 H new ATOM 0 HE22 GLN A 6 3.585 7.523 1.502 1.00 0.00 H new ATOM 109 N LYS A 7 8.875 6.315 2.102 1.00 0.00 N ATOM 110 CA LYS A 7 9.176 4.958 1.657 1.00 0.00 C ATOM 111 C LYS A 7 8.766 3.927 2.696 1.00 0.00 C ATOM 112 O LYS A 7 8.294 2.844 2.354 1.00 0.00 O ATOM 113 CB LYS A 7 10.659 4.805 1.338 1.00 0.00 C ATOM 114 CG LYS A 7 11.590 5.207 2.469 1.00 0.00 C ATOM 115 CD LYS A 7 13.021 4.777 2.196 1.00 0.00 C ATOM 116 CE LYS A 7 13.473 5.147 0.790 1.00 0.00 C ATOM 117 NZ LYS A 7 13.318 6.596 0.511 1.00 0.00 N ATOM 0 H LYS A 7 9.693 6.905 2.253 1.00 0.00 H new ATOM 0 HA LYS A 7 8.598 4.782 0.750 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.856 3.766 1.074 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.893 5.407 0.460 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.554 6.288 2.604 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.246 4.758 3.401 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.684 5.244 2.924 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.107 3.699 2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.518 4.864 0.661 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.896 4.576 0.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.176 6.953 0.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.498 6.744 -0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.172 7.108 1.404 1.00 0.00 H new ATOM 131 N ALA A 8 8.947 4.279 3.958 1.00 0.00 N ATOM 132 CA ALA A 8 8.600 3.397 5.069 1.00 0.00 C ATOM 133 C ALA A 8 7.129 2.998 5.010 1.00 0.00 C ATOM 134 O ALA A 8 6.785 1.831 5.198 1.00 0.00 O ATOM 135 CB ALA A 8 8.919 4.069 6.397 1.00 0.00 C ATOM 0 H ALA A 8 9.336 5.177 4.244 1.00 0.00 H new ATOM 0 HA ALA A 8 9.199 2.490 4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.655 3.400 7.216 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.984 4.297 6.443 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.347 4.992 6.484 1.00 0.00 H new ATOM 141 N ILE A 9 6.268 3.969 4.732 1.00 0.00 N ATOM 142 CA ILE A 9 4.840 3.704 4.619 1.00 0.00 C ATOM 143 C ILE A 9 4.551 2.823 3.408 1.00 0.00 C ATOM 144 O ILE A 9 3.896 1.787 3.526 1.00 0.00 O ATOM 145 CB ILE A 9 4.029 5.011 4.499 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.237 5.884 5.737 1.00 0.00 C ATOM 147 CG2 ILE A 9 2.548 4.707 4.302 1.00 0.00 C ATOM 148 CD1 ILE A 9 3.509 7.210 5.675 1.00 0.00 C ATOM 0 H ILE A 9 6.532 4.943 4.581 1.00 0.00 H new ATOM 0 HA ILE A 9 4.536 3.187 5.529 1.00 0.00 H new ATOM 0 HB ILE A 9 4.385 5.558 3.626 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.902 5.336 6.618 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.303 6.070 5.864 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.993 5.641 4.220 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.414 4.124 3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.177 4.138 5.155 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.703 7.775 6.587 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.861 7.778 4.814 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.438 7.033 5.579 1.00 0.00 H new ATOM 160 N PHE A 10 5.073 3.233 2.257 1.00 0.00 N ATOM 161 CA PHE A 10 4.865 2.512 1.006 1.00 0.00 C ATOM 162 C PHE A 10 5.309 1.056 1.132 1.00 0.00 C ATOM 163 O PHE A 10 4.569 0.135 0.784 1.00 0.00 O ATOM 164 CB PHE A 10 5.633 3.207 -0.125 1.00 0.00 C ATOM 165 CG PHE A 10 5.532 2.515 -1.457 1.00 0.00 C ATOM 166 CD1 PHE A 10 4.384 2.626 -2.225 1.00 0.00 C ATOM 167 CD2 PHE A 10 6.586 1.755 -1.939 1.00 0.00 C ATOM 168 CE1 PHE A 10 4.290 1.992 -3.449 1.00 0.00 C ATOM 169 CE2 PHE A 10 6.498 1.119 -3.162 1.00 0.00 C ATOM 170 CZ PHE A 10 5.348 1.237 -3.917 1.00 0.00 C ATOM 0 H PHE A 10 5.649 4.070 2.165 1.00 0.00 H new ATOM 0 HA PHE A 10 3.800 2.519 0.775 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.261 4.226 -0.229 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.684 3.279 0.155 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.554 3.214 -1.863 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.487 1.659 -1.351 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.390 2.087 -4.039 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.327 0.531 -3.527 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.276 0.739 -4.873 1.00 0.00 H new ATOM 180 N SER A 11 6.515 0.859 1.646 1.00 0.00 N ATOM 181 CA SER A 11 7.070 -0.472 1.814 1.00 0.00 C ATOM 182 C SER A 11 6.215 -1.307 2.757 1.00 0.00 C ATOM 183 O SER A 11 5.807 -2.413 2.414 1.00 0.00 O ATOM 184 CB SER A 11 8.502 -0.381 2.345 1.00 0.00 C ATOM 185 OG SER A 11 9.051 -1.666 2.596 1.00 0.00 O ATOM 0 H SER A 11 7.130 1.612 1.955 1.00 0.00 H new ATOM 0 HA SER A 11 7.079 -0.962 0.840 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.125 0.146 1.623 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.513 0.205 3.264 1.00 0.00 H new ATOM 0 HG SER A 11 9.271 -2.100 1.745 1.00 0.00 H new ATOM 191 N GLU A 12 5.925 -0.762 3.932 1.00 0.00 N ATOM 192 CA GLU A 12 5.227 -1.512 4.966 1.00 0.00 C ATOM 193 C GLU A 12 3.829 -1.915 4.509 1.00 0.00 C ATOM 194 O GLU A 12 3.345 -2.998 4.837 1.00 0.00 O ATOM 195 CB GLU A 12 5.145 -0.687 6.250 1.00 0.00 C ATOM 196 CG GLU A 12 5.200 -1.529 7.512 1.00 0.00 C ATOM 197 CD GLU A 12 6.541 -2.217 7.689 1.00 0.00 C ATOM 198 OE1 GLU A 12 6.804 -3.220 6.990 1.00 0.00 O ATOM 199 OE2 GLU A 12 7.343 -1.760 8.531 1.00 0.00 O ATOM 0 H GLU A 12 6.162 0.195 4.191 1.00 0.00 H new ATOM 0 HA GLU A 12 5.793 -2.423 5.162 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.965 0.031 6.265 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.219 -0.112 6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.002 -0.896 8.377 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.411 -2.280 7.479 1.00 0.00 H new ATOM 206 N ASN A 13 3.180 -1.042 3.754 1.00 0.00 N ATOM 207 CA ASN A 13 1.848 -1.323 3.237 1.00 0.00 C ATOM 208 C ASN A 13 1.907 -2.364 2.125 1.00 0.00 C ATOM 209 O ASN A 13 1.266 -3.411 2.212 1.00 0.00 O ATOM 210 CB ASN A 13 1.189 -0.036 2.727 1.00 0.00 C ATOM 211 CG ASN A 13 0.613 0.808 3.853 1.00 0.00 C ATOM 212 OD1 ASN A 13 1.019 0.683 5.011 1.00 0.00 O ATOM 213 ND2 ASN A 13 -0.325 1.683 3.522 1.00 0.00 N ATOM 0 H ASN A 13 3.554 -0.132 3.485 1.00 0.00 H new ATOM 0 HA ASN A 13 1.245 -1.725 4.051 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.924 0.551 2.176 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.395 -0.291 2.026 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.738 2.283 4.236 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.635 1.757 2.553 1.00 0.00 H new ATOM 220 N LEU A 14 2.703 -2.083 1.100 1.00 0.00 N ATOM 221 CA LEU A 14 2.793 -2.950 -0.071 1.00 0.00 C ATOM 222 C LEU A 14 3.300 -4.344 0.300 1.00 0.00 C ATOM 223 O LEU A 14 2.730 -5.349 -0.127 1.00 0.00 O ATOM 224 CB LEU A 14 3.713 -2.324 -1.126 1.00 0.00 C ATOM 225 CG LEU A 14 3.836 -3.099 -2.439 1.00 0.00 C ATOM 226 CD1 LEU A 14 2.503 -3.125 -3.173 1.00 0.00 C ATOM 227 CD2 LEU A 14 4.918 -2.486 -3.313 1.00 0.00 C ATOM 0 H LEU A 14 3.299 -1.257 1.056 1.00 0.00 H new ATOM 0 HA LEU A 14 1.789 -3.054 -0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.350 -1.321 -1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.708 -2.214 -0.695 1.00 0.00 H new ATOM 0 HG LEU A 14 4.117 -4.127 -2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.611 -3.681 -4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.752 -3.608 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.189 -2.105 -3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.995 -3.047 -4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.663 -1.449 -3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.873 -2.521 -2.788 1.00 0.00 H new ATOM 239 N ASN A 15 4.351 -4.393 1.114 1.00 0.00 N ATOM 240 CA ASN A 15 5.003 -5.654 1.471 1.00 0.00 C ATOM 241 C ASN A 15 4.011 -6.608 2.131 1.00 0.00 C ATOM 242 O ASN A 15 4.014 -7.814 1.866 1.00 0.00 O ATOM 243 CB ASN A 15 6.183 -5.375 2.413 1.00 0.00 C ATOM 244 CG ASN A 15 7.165 -6.529 2.521 1.00 0.00 C ATOM 245 OD1 ASN A 15 6.797 -7.699 2.432 1.00 0.00 O ATOM 246 ND2 ASN A 15 8.435 -6.200 2.709 1.00 0.00 N ATOM 0 H ASN A 15 4.773 -3.569 1.542 1.00 0.00 H new ATOM 0 HA ASN A 15 5.373 -6.128 0.562 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.714 -4.489 2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.797 -5.144 3.406 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.145 -6.929 2.785 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.703 -5.218 2.778 1.00 0.00 H new ATOM 253 N SER A 16 3.140 -6.051 2.965 1.00 0.00 N ATOM 254 CA SER A 16 2.146 -6.839 3.680 1.00 0.00 C ATOM 255 C SER A 16 1.193 -7.534 2.710 1.00 0.00 C ATOM 256 O SER A 16 0.906 -8.723 2.854 1.00 0.00 O ATOM 257 CB SER A 16 1.370 -5.948 4.655 1.00 0.00 C ATOM 258 OG SER A 16 2.248 -5.353 5.600 1.00 0.00 O ATOM 0 H SER A 16 3.103 -5.051 3.162 1.00 0.00 H new ATOM 0 HA SER A 16 2.665 -7.612 4.247 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.841 -5.171 4.103 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.616 -6.539 5.174 1.00 0.00 H new ATOM 0 HG SER A 16 2.533 -4.474 5.273 1.00 0.00 H new ATOM 264 N TYR A 17 0.729 -6.808 1.701 1.00 0.00 N ATOM 265 CA TYR A 17 -0.208 -7.368 0.735 1.00 0.00 C ATOM 266 C TYR A 17 0.477 -8.396 -0.161 1.00 0.00 C ATOM 267 O TYR A 17 -0.147 -9.368 -0.587 1.00 0.00 O ATOM 268 CB TYR A 17 -0.849 -6.264 -0.110 1.00 0.00 C ATOM 269 CG TYR A 17 -1.815 -5.398 0.670 1.00 0.00 C ATOM 270 CD1 TYR A 17 -3.066 -5.880 1.029 1.00 0.00 C ATOM 271 CD2 TYR A 17 -1.479 -4.103 1.043 1.00 0.00 C ATOM 272 CE1 TYR A 17 -3.951 -5.101 1.748 1.00 0.00 C ATOM 273 CE2 TYR A 17 -2.361 -3.315 1.762 1.00 0.00 C ATOM 274 CZ TYR A 17 -3.595 -3.818 2.108 1.00 0.00 C ATOM 275 OH TYR A 17 -4.476 -3.044 2.831 1.00 0.00 O ATOM 0 H TYR A 17 0.984 -5.835 1.530 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.996 -7.874 1.293 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.064 -5.634 -0.529 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.375 -6.718 -0.950 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.352 -6.881 0.741 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.514 -3.704 0.768 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.917 -5.494 2.027 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.083 -2.312 2.050 1.00 0.00 H new ATOM 0 HH TYR A 17 -4.074 -2.167 3.005 1.00 0.00 H new ATOM 285 N ILE A 18 1.760 -8.188 -0.427 1.00 0.00 N ATOM 286 CA ILE A 18 2.545 -9.142 -1.205 1.00 0.00 C ATOM 287 C ILE A 18 2.644 -10.475 -0.462 1.00 0.00 C ATOM 288 O ILE A 18 2.543 -11.548 -1.059 1.00 0.00 O ATOM 289 CB ILE A 18 3.969 -8.607 -1.482 1.00 0.00 C ATOM 290 CG1 ILE A 18 3.904 -7.287 -2.259 1.00 0.00 C ATOM 291 CG2 ILE A 18 4.790 -9.637 -2.250 1.00 0.00 C ATOM 292 CD1 ILE A 18 5.241 -6.586 -2.372 1.00 0.00 C ATOM 0 H ILE A 18 2.281 -7.368 -0.116 1.00 0.00 H new ATOM 0 HA ILE A 18 2.036 -9.287 -2.158 1.00 0.00 H new ATOM 0 HB ILE A 18 4.458 -8.422 -0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.520 -7.482 -3.260 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.194 -6.621 -1.769 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.789 -9.242 -2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.865 -10.553 -1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.304 -9.854 -3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.120 -5.660 -2.934 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.618 -6.359 -1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.949 -7.234 -2.889 1.00 0.00 H new ATOM 304 N ALA A 19 2.822 -10.395 0.850 1.00 0.00 N ATOM 305 CA ALA A 19 2.931 -11.585 1.680 1.00 0.00 C ATOM 306 C ALA A 19 1.574 -12.257 1.874 1.00 0.00 C ATOM 307 O ALA A 19 1.478 -13.484 1.897 1.00 0.00 O ATOM 308 CB ALA A 19 3.543 -11.234 3.026 1.00 0.00 C ATOM 0 H ALA A 19 2.894 -9.516 1.362 1.00 0.00 H new ATOM 0 HA ALA A 19 3.583 -12.292 1.166 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.619 -12.134 3.637 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.537 -10.813 2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.913 -10.503 3.533 1.00 0.00 H new ATOM 314 N LYS A 20 0.524 -11.452 2.005 1.00 0.00 N ATOM 315 CA LYS A 20 -0.814 -11.972 2.243 1.00 0.00 C ATOM 316 C LYS A 20 -1.399 -12.640 1.000 1.00 0.00 C ATOM 317 O LYS A 20 -2.149 -13.614 1.108 1.00 0.00 O ATOM 318 CB LYS A 20 -1.728 -10.850 2.726 1.00 0.00 C ATOM 319 CG LYS A 20 -1.413 -10.388 4.143 1.00 0.00 C ATOM 320 CD LYS A 20 -2.419 -9.370 4.652 1.00 0.00 C ATOM 321 CE LYS A 20 -3.817 -9.960 4.718 1.00 0.00 C ATOM 322 NZ LYS A 20 -4.772 -9.048 5.396 1.00 0.00 N ATOM 0 H LYS A 20 0.577 -10.435 1.950 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.741 -12.738 3.015 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.642 -10.002 2.047 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.763 -11.189 2.683 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.402 -11.250 4.810 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.414 -9.953 4.168 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.121 -9.025 5.642 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.420 -8.498 3.997 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.170 -10.170 3.708 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.785 -10.911 5.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.714 -9.488 5.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.449 -8.867 6.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.823 -8.149 4.875 1.00 0.00 H new ATOM 336 N SER A 21 -1.066 -12.119 -0.176 1.00 0.00 N ATOM 337 CA SER A 21 -1.473 -12.744 -1.420 1.00 0.00 C ATOM 338 C SER A 21 -0.608 -13.973 -1.684 1.00 0.00 C ATOM 339 O SER A 21 -1.025 -14.912 -2.365 1.00 0.00 O ATOM 340 CB SER A 21 -1.354 -11.740 -2.567 1.00 0.00 C ATOM 341 OG SER A 21 -0.067 -11.149 -2.597 1.00 0.00 O ATOM 0 H SER A 21 -0.516 -11.267 -0.289 1.00 0.00 H new ATOM 0 HA SER A 21 -2.513 -13.061 -1.346 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.549 -12.241 -3.515 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.111 -10.964 -2.455 1.00 0.00 H new ATOM 0 HG SER A 21 -0.072 -10.326 -2.065 1.00 0.00 H new ATOM 347 N GLU A 22 0.605 -13.934 -1.132 1.00 0.00 N ATOM 348 CA GLU A 22 1.552 -15.044 -1.197 1.00 0.00 C ATOM 349 C GLU A 22 1.941 -15.337 -2.644 1.00 0.00 C ATOM 350 O GLU A 22 2.241 -16.472 -3.016 1.00 0.00 O ATOM 351 CB GLU A 22 0.973 -16.284 -0.508 1.00 0.00 C ATOM 352 CG GLU A 22 2.034 -17.278 -0.068 1.00 0.00 C ATOM 353 CD GLU A 22 1.499 -18.296 0.910 1.00 0.00 C ATOM 354 OE1 GLU A 22 1.306 -17.940 2.092 1.00 0.00 O ATOM 355 OE2 GLU A 22 1.276 -19.458 0.512 1.00 0.00 O ATOM 0 H GLU A 22 0.959 -13.124 -0.623 1.00 0.00 H new ATOM 0 HA GLU A 22 2.459 -14.760 -0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.395 -15.971 0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.281 -16.780 -1.189 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.431 -17.793 -0.943 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.864 -16.740 0.389 1.00 0.00 H new ATOM 362 N LYS A 23 1.938 -14.294 -3.453 1.00 0.00 N ATOM 363 CA LYS A 23 2.393 -14.375 -4.817 1.00 0.00 C ATOM 364 C LYS A 23 3.857 -13.961 -4.875 1.00 0.00 C ATOM 365 O LYS A 23 4.313 -13.166 -4.049 1.00 0.00 O ATOM 366 CB LYS A 23 1.525 -13.468 -5.683 1.00 0.00 C ATOM 367 CG LYS A 23 0.118 -14.011 -5.893 1.00 0.00 C ATOM 368 CD LYS A 23 -0.858 -12.921 -6.307 1.00 0.00 C ATOM 369 CE LYS A 23 -0.463 -12.257 -7.616 1.00 0.00 C ATOM 370 NZ LYS A 23 -0.566 -13.179 -8.778 1.00 0.00 N ATOM 0 H LYS A 23 1.618 -13.366 -3.176 1.00 0.00 H new ATOM 0 HA LYS A 23 2.309 -15.394 -5.194 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.463 -12.484 -5.219 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.005 -13.334 -6.653 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.140 -14.788 -6.658 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.231 -14.479 -4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.856 -13.349 -6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.911 -12.167 -5.522 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.102 -11.390 -7.787 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.560 -11.889 -7.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.418 -12.646 -9.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.158 -13.921 -8.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.510 -13.616 -8.792 1.00 0.00 H new ATOM 384 N THR A 24 4.599 -14.508 -5.823 1.00 0.00 N ATOM 385 CA THR A 24 6.023 -14.237 -5.914 1.00 0.00 C ATOM 386 C THR A 24 6.290 -12.853 -6.490 1.00 0.00 C ATOM 387 O THR A 24 5.534 -12.359 -7.331 1.00 0.00 O ATOM 388 CB THR A 24 6.730 -15.311 -6.756 1.00 0.00 C ATOM 389 OG1 THR A 24 5.875 -15.734 -7.821 1.00 0.00 O ATOM 390 CG2 THR A 24 7.110 -16.508 -5.899 1.00 0.00 C ATOM 0 H THR A 24 4.240 -15.140 -6.538 1.00 0.00 H new ATOM 0 HA THR A 24 6.427 -14.265 -4.902 1.00 0.00 H new ATOM 0 HB THR A 24 7.641 -14.878 -7.169 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.331 -16.417 -8.355 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.609 -17.254 -6.517 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.783 -16.187 -5.104 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.211 -16.942 -5.461 1.00 0.00 H new ATOM 398 N GLN A 25 7.361 -12.231 -6.014 1.00 0.00 N ATOM 399 CA GLN A 25 7.749 -10.899 -6.458 1.00 0.00 C ATOM 400 C GLN A 25 7.993 -10.879 -7.959 1.00 0.00 C ATOM 401 O GLN A 25 7.641 -9.918 -8.636 1.00 0.00 O ATOM 402 CB GLN A 25 9.006 -10.446 -5.714 1.00 0.00 C ATOM 403 CG GLN A 25 8.778 -10.225 -4.231 1.00 0.00 C ATOM 404 CD GLN A 25 10.054 -9.894 -3.478 1.00 0.00 C ATOM 405 OE1 GLN A 25 10.183 -10.199 -2.296 1.00 0.00 O ATOM 406 NE2 GLN A 25 11.012 -9.280 -4.160 1.00 0.00 N ATOM 0 H GLN A 25 7.982 -12.634 -5.312 1.00 0.00 H new ATOM 0 HA GLN A 25 6.934 -10.210 -6.235 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.788 -11.194 -5.847 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.371 -9.521 -6.160 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.062 -9.414 -4.096 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.330 -11.121 -3.800 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.867 -9.043 -5.141 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.893 -9.045 -3.703 1.00 0.00 H new ATOM 415 N LEU A 26 8.596 -11.948 -8.465 1.00 0.00 N ATOM 416 CA LEU A 26 8.850 -12.089 -9.893 1.00 0.00 C ATOM 417 C LEU A 26 7.531 -12.123 -10.664 1.00 0.00 C ATOM 418 O LEU A 26 7.376 -11.460 -11.693 1.00 0.00 O ATOM 419 CB LEU A 26 9.641 -13.377 -10.147 1.00 0.00 C ATOM 420 CG LEU A 26 10.796 -13.252 -11.144 1.00 0.00 C ATOM 421 CD1 LEU A 26 11.591 -14.548 -11.205 1.00 0.00 C ATOM 422 CD2 LEU A 26 10.280 -12.882 -12.525 1.00 0.00 C ATOM 0 H LEU A 26 8.920 -12.735 -7.903 1.00 0.00 H new ATOM 0 HA LEU A 26 9.432 -11.234 -10.239 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.040 -13.731 -9.197 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.953 -14.141 -10.508 1.00 0.00 H new ATOM 0 HG LEU A 26 11.456 -12.455 -10.801 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.408 -14.441 -11.919 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.998 -14.772 -10.219 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.938 -15.361 -11.521 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.118 -12.799 -13.216 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.595 -13.654 -12.876 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.756 -11.928 -12.474 1.00 0.00 H new ATOM 434 N GLU A 27 6.589 -12.899 -10.143 1.00 0.00 N ATOM 435 CA GLU A 27 5.281 -13.072 -10.751 1.00 0.00 C ATOM 436 C GLU A 27 4.535 -11.742 -10.825 1.00 0.00 C ATOM 437 O GLU A 27 4.068 -11.336 -11.891 1.00 0.00 O ATOM 438 CB GLU A 27 4.495 -14.082 -9.914 1.00 0.00 C ATOM 439 CG GLU A 27 3.406 -14.813 -10.666 1.00 0.00 C ATOM 440 CD GLU A 27 2.015 -14.350 -10.292 1.00 0.00 C ATOM 441 OE1 GLU A 27 1.509 -14.766 -9.225 1.00 0.00 O ATOM 442 OE2 GLU A 27 1.416 -13.571 -11.060 1.00 0.00 O ATOM 0 H GLU A 27 6.715 -13.429 -9.280 1.00 0.00 H new ATOM 0 HA GLU A 27 5.395 -13.439 -11.771 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.191 -14.815 -9.506 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.047 -13.562 -9.067 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.554 -14.672 -11.737 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.492 -15.882 -10.470 1.00 0.00 H new ATOM 449 N ILE A 28 4.448 -11.060 -9.689 1.00 0.00 N ATOM 450 CA ILE A 28 3.728 -9.796 -9.608 1.00 0.00 C ATOM 451 C ILE A 28 4.399 -8.725 -10.465 1.00 0.00 C ATOM 452 O ILE A 28 3.720 -7.954 -11.146 1.00 0.00 O ATOM 453 CB ILE A 28 3.628 -9.295 -8.150 1.00 0.00 C ATOM 454 CG1 ILE A 28 2.983 -10.362 -7.259 1.00 0.00 C ATOM 455 CG2 ILE A 28 2.828 -7.998 -8.088 1.00 0.00 C ATOM 456 CD1 ILE A 28 2.915 -9.973 -5.795 1.00 0.00 C ATOM 0 H ILE A 28 4.868 -11.362 -8.810 1.00 0.00 H new ATOM 0 HA ILE A 28 2.722 -9.979 -9.986 1.00 0.00 H new ATOM 0 HB ILE A 28 4.635 -9.100 -7.782 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.974 -10.563 -7.620 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.546 -11.291 -7.353 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.766 -7.658 -7.054 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.322 -7.237 -8.692 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.823 -8.171 -8.473 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.447 -10.776 -5.226 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.923 -9.801 -5.417 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.327 -9.062 -5.688 1.00 0.00 H new ATOM 468 N ALA A 29 5.731 -8.699 -10.446 1.00 0.00 N ATOM 469 CA ALA A 29 6.497 -7.707 -11.194 1.00 0.00 C ATOM 470 C ALA A 29 6.133 -7.719 -12.673 1.00 0.00 C ATOM 471 O ALA A 29 5.963 -6.664 -13.289 1.00 0.00 O ATOM 472 CB ALA A 29 7.988 -7.948 -11.026 1.00 0.00 C ATOM 0 H ALA A 29 6.303 -9.358 -9.917 1.00 0.00 H new ATOM 0 HA ALA A 29 6.245 -6.726 -10.791 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.543 -7.199 -11.591 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.252 -7.876 -9.971 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.240 -8.942 -11.396 1.00 0.00 H new ATOM 478 N LYS A 30 6.004 -8.916 -13.234 1.00 0.00 N ATOM 479 CA LYS A 30 5.674 -9.065 -14.645 1.00 0.00 C ATOM 480 C LYS A 30 4.286 -8.513 -14.944 1.00 0.00 C ATOM 481 O LYS A 30 4.088 -7.823 -15.944 1.00 0.00 O ATOM 482 CB LYS A 30 5.756 -10.531 -15.066 1.00 0.00 C ATOM 483 CG LYS A 30 7.175 -11.075 -15.089 1.00 0.00 C ATOM 484 CD LYS A 30 7.207 -12.519 -15.553 1.00 0.00 C ATOM 485 CE LYS A 30 8.630 -13.017 -15.718 1.00 0.00 C ATOM 486 NZ LYS A 30 8.673 -14.441 -16.141 1.00 0.00 N ATOM 0 H LYS A 30 6.123 -9.796 -12.733 1.00 0.00 H new ATOM 0 HA LYS A 30 6.403 -8.493 -15.219 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.156 -11.132 -14.382 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.316 -10.642 -16.057 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.789 -10.465 -15.751 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.611 -11.002 -14.092 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.682 -13.146 -14.832 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.676 -12.610 -16.501 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.146 -12.403 -16.456 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.167 -12.902 -14.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.663 -14.743 -16.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.203 -15.030 -15.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.183 -14.547 -17.052 1.00 0.00 H new ATOM 500 N SER A 31 3.338 -8.807 -14.065 1.00 0.00 N ATOM 501 CA SER A 31 1.971 -8.334 -14.226 1.00 0.00 C ATOM 502 C SER A 31 1.895 -6.812 -14.095 1.00 0.00 C ATOM 503 O SER A 31 1.032 -6.171 -14.694 1.00 0.00 O ATOM 504 CB SER A 31 1.068 -8.999 -13.191 1.00 0.00 C ATOM 505 OG SER A 31 1.119 -10.412 -13.308 1.00 0.00 O ATOM 0 H SER A 31 3.492 -9.373 -13.230 1.00 0.00 H new ATOM 0 HA SER A 31 1.630 -8.602 -15.226 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.377 -8.702 -12.189 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.042 -8.656 -13.324 1.00 0.00 H new ATOM 0 HG SER A 31 0.668 -10.820 -12.540 1.00 0.00 H new ATOM 511 N ILE A 32 2.801 -6.242 -13.306 1.00 0.00 N ATOM 512 CA ILE A 32 2.886 -4.792 -13.155 1.00 0.00 C ATOM 513 C ILE A 32 3.509 -4.165 -14.398 1.00 0.00 C ATOM 514 O ILE A 32 3.044 -3.137 -14.892 1.00 0.00 O ATOM 515 CB ILE A 32 3.702 -4.391 -11.901 1.00 0.00 C ATOM 516 CG1 ILE A 32 3.048 -4.962 -10.639 1.00 0.00 C ATOM 517 CG2 ILE A 32 3.841 -2.875 -11.795 1.00 0.00 C ATOM 518 CD1 ILE A 32 1.585 -4.593 -10.482 1.00 0.00 C ATOM 0 H ILE A 32 3.488 -6.763 -12.760 1.00 0.00 H new ATOM 0 HA ILE A 32 1.870 -4.418 -13.029 1.00 0.00 H new ATOM 0 HB ILE A 32 4.703 -4.811 -11.998 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.139 -6.048 -10.655 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.597 -4.609 -9.766 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.418 -2.624 -10.905 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.352 -2.494 -12.679 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.852 -2.423 -11.725 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.195 -5.035 -9.565 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.487 -3.509 -10.433 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.021 -4.970 -11.335 1.00 0.00 H new ATOM 530 N GLY A 33 4.568 -4.789 -14.891 1.00 0.00 N ATOM 531 CA GLY A 33 5.231 -4.294 -16.078 1.00 0.00 C ATOM 532 C GLY A 33 6.676 -3.929 -15.819 1.00 0.00 C ATOM 533 O GLY A 33 7.289 -3.195 -16.594 1.00 0.00 O ATOM 0 H GLY A 33 4.980 -5.631 -14.489 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.185 -5.052 -16.860 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.699 -3.419 -16.450 1.00 0.00 H new ATOM 537 N VAL A 34 7.226 -4.444 -14.729 1.00 0.00 N ATOM 538 CA VAL A 34 8.605 -4.165 -14.361 1.00 0.00 C ATOM 539 C VAL A 34 9.373 -5.459 -14.138 1.00 0.00 C ATOM 540 O VAL A 34 8.796 -6.547 -14.171 1.00 0.00 O ATOM 541 CB VAL A 34 8.696 -3.294 -13.087 1.00 0.00 C ATOM 542 CG1 VAL A 34 8.110 -1.912 -13.333 1.00 0.00 C ATOM 543 CG2 VAL A 34 7.998 -3.971 -11.916 1.00 0.00 C ATOM 0 H VAL A 34 6.735 -5.060 -14.082 1.00 0.00 H new ATOM 0 HA VAL A 34 9.049 -3.612 -15.189 1.00 0.00 H new ATOM 0 HB VAL A 34 9.750 -3.178 -12.834 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.185 -1.318 -12.422 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.662 -1.420 -14.134 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.062 -2.007 -13.619 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.076 -3.339 -11.031 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.947 -4.127 -12.160 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.471 -4.933 -11.717 1.00 0.00 H new ATOM 553 N SER A 35 10.670 -5.340 -13.921 1.00 0.00 N ATOM 554 CA SER A 35 11.499 -6.495 -13.628 1.00 0.00 C ATOM 555 C SER A 35 11.450 -6.810 -12.136 1.00 0.00 C ATOM 556 O SER A 35 11.175 -5.926 -11.323 1.00 0.00 O ATOM 557 CB SER A 35 12.933 -6.227 -14.083 1.00 0.00 C ATOM 558 OG SER A 35 12.973 -5.926 -15.467 1.00 0.00 O ATOM 0 H SER A 35 11.173 -4.453 -13.942 1.00 0.00 H new ATOM 0 HA SER A 35 11.119 -7.361 -14.170 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.351 -5.397 -13.513 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.554 -7.099 -13.878 1.00 0.00 H new ATOM 0 HG SER A 35 13.899 -5.756 -15.738 1.00 0.00 H new ATOM 564 N PRO A 36 11.708 -8.075 -11.754 1.00 0.00 N ATOM 565 CA PRO A 36 11.676 -8.502 -10.350 1.00 0.00 C ATOM 566 C PRO A 36 12.623 -7.683 -9.478 1.00 0.00 C ATOM 567 O PRO A 36 12.364 -7.471 -8.297 1.00 0.00 O ATOM 568 CB PRO A 36 12.124 -9.969 -10.399 1.00 0.00 C ATOM 569 CG PRO A 36 12.753 -10.146 -11.739 1.00 0.00 C ATOM 570 CD PRO A 36 12.045 -9.192 -12.652 1.00 0.00 C ATOM 0 HA PRO A 36 10.688 -8.366 -9.909 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.832 -10.191 -9.600 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.277 -10.643 -10.270 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.821 -9.931 -11.701 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.647 -11.173 -12.088 1.00 0.00 H new ATOM 0 HD2 PRO A 36 12.683 -8.871 -13.476 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.155 -9.639 -13.094 1.00 0.00 H new ATOM 578 N GLN A 37 13.706 -7.210 -10.083 1.00 0.00 N ATOM 579 CA GLN A 37 14.690 -6.391 -9.387 1.00 0.00 C ATOM 580 C GLN A 37 14.079 -5.053 -8.981 1.00 0.00 C ATOM 581 O GLN A 37 14.301 -4.561 -7.873 1.00 0.00 O ATOM 582 CB GLN A 37 15.896 -6.162 -10.293 1.00 0.00 C ATOM 583 CG GLN A 37 17.094 -5.555 -9.582 1.00 0.00 C ATOM 584 CD GLN A 37 18.297 -5.418 -10.494 1.00 0.00 C ATOM 585 OE1 GLN A 37 18.469 -6.195 -11.431 1.00 0.00 O ATOM 586 NE2 GLN A 37 19.142 -4.438 -10.225 1.00 0.00 N ATOM 0 H GLN A 37 13.926 -7.382 -11.064 1.00 0.00 H new ATOM 0 HA GLN A 37 15.010 -6.912 -8.484 1.00 0.00 H new ATOM 0 HB2 GLN A 37 16.192 -7.113 -10.735 1.00 0.00 H new ATOM 0 HB3 GLN A 37 15.603 -5.507 -11.113 1.00 0.00 H new ATOM 0 HG2 GLN A 37 16.823 -4.574 -9.192 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.359 -6.176 -8.726 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.965 -3.813 -9.438 1.00 0.00 H new ATOM 0 HE22 GLN A 37 19.971 -4.306 -10.804 1.00 0.00 H new ATOM 595 N THR A 38 13.278 -4.489 -9.875 1.00 0.00 N ATOM 596 CA THR A 38 12.634 -3.209 -9.628 1.00 0.00 C ATOM 597 C THR A 38 11.560 -3.383 -8.562 1.00 0.00 C ATOM 598 O THR A 38 11.363 -2.530 -7.697 1.00 0.00 O ATOM 599 CB THR A 38 11.992 -2.657 -10.917 1.00 0.00 C ATOM 600 OG1 THR A 38 12.908 -2.805 -12.016 1.00 0.00 O ATOM 601 CG2 THR A 38 11.619 -1.189 -10.752 1.00 0.00 C ATOM 0 H THR A 38 13.059 -4.901 -10.782 1.00 0.00 H new ATOM 0 HA THR A 38 13.389 -2.500 -9.288 1.00 0.00 H new ATOM 0 HB THR A 38 11.083 -3.223 -11.120 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.497 -2.455 -12.834 1.00 0.00 H new ATOM 0 HG21 THR A 38 11.168 -0.822 -11.674 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.907 -1.084 -9.933 1.00 0.00 H new ATOM 0 HG23 THR A 38 12.515 -0.609 -10.530 1.00 0.00 H new ATOM 609 N PHE A 39 10.892 -4.518 -8.619 1.00 0.00 N ATOM 610 CA PHE A 39 9.869 -4.851 -7.650 1.00 0.00 C ATOM 611 C PHE A 39 10.506 -5.107 -6.287 1.00 0.00 C ATOM 612 O PHE A 39 9.936 -4.779 -5.244 1.00 0.00 O ATOM 613 CB PHE A 39 9.097 -6.082 -8.117 1.00 0.00 C ATOM 614 CG PHE A 39 7.791 -6.278 -7.398 1.00 0.00 C ATOM 615 CD1 PHE A 39 6.668 -5.557 -7.769 1.00 0.00 C ATOM 616 CD2 PHE A 39 7.690 -7.176 -6.349 1.00 0.00 C ATOM 617 CE1 PHE A 39 5.469 -5.728 -7.106 1.00 0.00 C ATOM 618 CE2 PHE A 39 6.494 -7.353 -5.685 1.00 0.00 C ATOM 619 CZ PHE A 39 5.383 -6.628 -6.061 1.00 0.00 C ATOM 0 H PHE A 39 11.042 -5.230 -9.333 1.00 0.00 H new ATOM 0 HA PHE A 39 9.175 -4.015 -7.558 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.905 -5.997 -9.187 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.718 -6.966 -7.974 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.731 -4.853 -8.586 1.00 0.00 H new ATOM 0 HD2 PHE A 39 8.557 -7.744 -6.047 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.600 -5.160 -7.404 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.428 -8.059 -4.871 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.447 -6.763 -5.540 1.00 0.00 H new ATOM 629 N ASN A 40 11.702 -5.682 -6.309 1.00 0.00 N ATOM 630 CA ASN A 40 12.442 -5.975 -5.088 1.00 0.00 C ATOM 631 C ASN A 40 12.811 -4.684 -4.365 1.00 0.00 C ATOM 632 O ASN A 40 12.753 -4.615 -3.139 1.00 0.00 O ATOM 633 CB ASN A 40 13.700 -6.792 -5.405 1.00 0.00 C ATOM 634 CG ASN A 40 14.380 -7.323 -4.158 1.00 0.00 C ATOM 635 OD1 ASN A 40 14.023 -8.388 -3.652 1.00 0.00 O ATOM 636 ND2 ASN A 40 15.383 -6.609 -3.673 1.00 0.00 N ATOM 0 H ASN A 40 12.183 -5.956 -7.166 1.00 0.00 H new ATOM 0 HA ASN A 40 11.804 -6.567 -4.432 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.433 -7.627 -6.052 1.00 0.00 H new ATOM 0 HB3 ASN A 40 14.402 -6.170 -5.960 1.00 0.00 H new ATOM 0 HD21 ASN A 40 15.891 -6.936 -2.851 1.00 0.00 H new ATOM 0 HD22 ASN A 40 15.648 -5.732 -4.121 1.00 0.00 H new ATOM 643 N THR A 41 13.169 -3.653 -5.127 1.00 0.00 N ATOM 644 CA THR A 41 13.495 -2.363 -4.538 1.00 0.00 C ATOM 645 C THR A 41 12.250 -1.682 -3.970 1.00 0.00 C ATOM 646 O THR A 41 12.350 -0.832 -3.088 1.00 0.00 O ATOM 647 CB THR A 41 14.204 -1.421 -5.537 1.00 0.00 C ATOM 648 OG1 THR A 41 13.470 -1.319 -6.763 1.00 0.00 O ATOM 649 CG2 THR A 41 15.611 -1.912 -5.834 1.00 0.00 C ATOM 0 H THR A 41 13.239 -3.687 -6.144 1.00 0.00 H new ATOM 0 HA THR A 41 14.190 -2.565 -3.723 1.00 0.00 H new ATOM 0 HB THR A 41 14.256 -0.436 -5.074 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.602 -1.762 -6.662 1.00 0.00 H new ATOM 0 HG21 THR A 41 16.092 -1.234 -6.539 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.188 -1.943 -4.910 1.00 0.00 H new ATOM 0 HG23 THR A 41 15.564 -2.912 -6.266 1.00 0.00 H new ATOM 657 N TRP A 42 11.078 -2.065 -4.469 1.00 0.00 N ATOM 658 CA TRP A 42 9.822 -1.552 -3.935 1.00 0.00 C ATOM 659 C TRP A 42 9.492 -2.245 -2.619 1.00 0.00 C ATOM 660 O TRP A 42 9.047 -1.612 -1.666 1.00 0.00 O ATOM 661 CB TRP A 42 8.676 -1.751 -4.930 1.00 0.00 C ATOM 662 CG TRP A 42 8.817 -0.947 -6.189 1.00 0.00 C ATOM 663 CD1 TRP A 42 9.675 0.093 -6.412 1.00 0.00 C ATOM 664 CD2 TRP A 42 8.063 -1.111 -7.397 1.00 0.00 C ATOM 665 NE1 TRP A 42 9.505 0.579 -7.686 1.00 0.00 N ATOM 666 CE2 TRP A 42 8.523 -0.143 -8.310 1.00 0.00 C ATOM 667 CE3 TRP A 42 7.050 -1.989 -7.797 1.00 0.00 C ATOM 668 CZ2 TRP A 42 7.996 -0.022 -9.593 1.00 0.00 C ATOM 669 CZ3 TRP A 42 6.528 -1.867 -9.072 1.00 0.00 C ATOM 670 CH2 TRP A 42 7.005 -0.891 -9.958 1.00 0.00 C ATOM 0 H TRP A 42 10.973 -2.726 -5.239 1.00 0.00 H new ATOM 0 HA TRP A 42 9.941 -0.483 -3.761 1.00 0.00 H new ATOM 0 HB2 TRP A 42 8.613 -2.808 -5.190 1.00 0.00 H new ATOM 0 HB3 TRP A 42 7.737 -1.486 -4.445 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.383 0.477 -5.692 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.026 1.352 -8.100 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.682 -2.748 -7.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.357 0.732 -10.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 5.741 -2.534 -9.390 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.581 -0.824 -10.949 1.00 0.00 H new ATOM 681 N CYS A 43 9.730 -3.552 -2.573 1.00 0.00 N ATOM 682 CA CYS A 43 9.509 -4.333 -1.362 1.00 0.00 C ATOM 683 C CYS A 43 10.462 -3.882 -0.257 1.00 0.00 C ATOM 684 O CYS A 43 10.085 -3.805 0.913 1.00 0.00 O ATOM 685 CB CYS A 43 9.698 -5.826 -1.665 1.00 0.00 C ATOM 686 SG CYS A 43 9.395 -6.923 -0.261 1.00 0.00 S ATOM 0 H CYS A 43 10.077 -4.094 -3.364 1.00 0.00 H new ATOM 0 HA CYS A 43 8.488 -4.172 -1.016 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.029 -6.106 -2.479 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.716 -5.985 -2.020 1.00 0.00 H new ATOM 0 HG CYS A 43 9.580 -8.157 -0.626 1.00 0.00 H new ATOM 692 N LYS A 44 11.687 -3.558 -0.647 1.00 0.00 N ATOM 693 CA LYS A 44 12.671 -3.009 0.276 1.00 0.00 C ATOM 694 C LYS A 44 12.306 -1.583 0.673 1.00 0.00 C ATOM 695 O LYS A 44 12.779 -1.070 1.688 1.00 0.00 O ATOM 696 CB LYS A 44 14.058 -3.031 -0.374 1.00 0.00 C ATOM 697 CG LYS A 44 14.946 -4.167 0.101 1.00 0.00 C ATOM 698 CD LYS A 44 15.429 -3.921 1.521 1.00 0.00 C ATOM 699 CE LYS A 44 16.372 -5.014 1.994 1.00 0.00 C ATOM 700 NZ LYS A 44 16.965 -4.688 3.316 1.00 0.00 N ATOM 0 H LYS A 44 12.025 -3.667 -1.603 1.00 0.00 H new ATOM 0 HA LYS A 44 12.682 -3.623 1.176 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.940 -3.104 -1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.558 -2.084 -0.171 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.395 -5.107 0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.802 -4.268 -0.566 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.936 -2.957 1.571 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.572 -3.865 2.192 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.832 -5.959 2.059 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.167 -5.152 1.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.603 -5.455 3.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.501 -3.799 3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.207 -4.581 4.020 1.00 0.00 H new ATOM 714 N GLY A 45 11.440 -0.962 -0.118 1.00 0.00 N ATOM 715 CA GLY A 45 11.094 0.424 0.107 1.00 0.00 C ATOM 716 C GLY A 45 12.242 1.358 -0.212 1.00 0.00 C ATOM 717 O GLY A 45 12.464 2.330 0.494 1.00 0.00 O ATOM 0 H GLY A 45 10.971 -1.397 -0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.233 0.686 -0.507 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.796 0.558 1.147 1.00 0.00 H new ATOM 721 N ILE A 46 12.972 1.060 -1.276 1.00 0.00 N ATOM 722 CA ILE A 46 14.107 1.881 -1.678 1.00 0.00 C ATOM 723 C ILE A 46 13.646 3.043 -2.550 1.00 0.00 C ATOM 724 O ILE A 46 14.120 4.170 -2.410 1.00 0.00 O ATOM 725 CB ILE A 46 15.161 1.051 -2.445 1.00 0.00 C ATOM 726 CG1 ILE A 46 15.680 -0.088 -1.564 1.00 0.00 C ATOM 727 CG2 ILE A 46 16.315 1.934 -2.909 1.00 0.00 C ATOM 728 CD1 ILE A 46 16.673 -0.992 -2.258 1.00 0.00 C ATOM 0 H ILE A 46 12.799 0.255 -1.878 1.00 0.00 H new ATOM 0 HA ILE A 46 14.565 2.269 -0.768 1.00 0.00 H new ATOM 0 HB ILE A 46 14.685 0.623 -3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.148 0.336 -0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 46 14.835 -0.686 -1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 46 17.044 1.327 -3.446 1.00 0.00 H new ATOM 0 HG22 ILE A 46 15.934 2.713 -3.569 1.00 0.00 H new ATOM 0 HG23 ILE A 46 16.793 2.393 -2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 46 16.995 -1.774 -1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 46 16.203 -1.446 -3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 46 17.537 -0.408 -2.574 1.00 0.00 H new ATOM 740 N ALA A 47 12.706 2.765 -3.438 1.00 0.00 N ATOM 741 CA ALA A 47 12.197 3.778 -4.345 1.00 0.00 C ATOM 742 C ALA A 47 10.692 3.651 -4.503 1.00 0.00 C ATOM 743 O ALA A 47 10.141 2.553 -4.431 1.00 0.00 O ATOM 744 CB ALA A 47 12.881 3.670 -5.699 1.00 0.00 C ATOM 0 H ALA A 47 12.280 1.845 -3.550 1.00 0.00 H new ATOM 0 HA ALA A 47 12.416 4.758 -3.920 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.488 4.436 -6.367 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.955 3.811 -5.576 1.00 0.00 H new ATOM 0 HB3 ALA A 47 12.691 2.685 -6.125 1.00 0.00 H new ATOM 750 N ILE A 48 10.032 4.781 -4.705 1.00 0.00 N ATOM 751 CA ILE A 48 8.596 4.804 -4.929 1.00 0.00 C ATOM 752 C ILE A 48 8.321 5.228 -6.368 1.00 0.00 C ATOM 753 O ILE A 48 8.814 6.266 -6.818 1.00 0.00 O ATOM 754 CB ILE A 48 7.857 5.767 -3.958 1.00 0.00 C ATOM 755 CG1 ILE A 48 8.064 5.359 -2.494 1.00 0.00 C ATOM 756 CG2 ILE A 48 6.370 5.817 -4.273 1.00 0.00 C ATOM 757 CD1 ILE A 48 9.390 5.796 -1.912 1.00 0.00 C ATOM 0 H ILE A 48 10.473 5.701 -4.718 1.00 0.00 H new ATOM 0 HA ILE A 48 8.217 3.799 -4.741 1.00 0.00 H new ATOM 0 HB ILE A 48 8.285 6.759 -4.101 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.259 5.782 -1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.985 4.275 -2.416 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.874 6.497 -3.581 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.226 6.170 -5.294 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.943 4.820 -4.170 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.458 5.469 -0.874 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.203 5.352 -2.486 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.466 6.882 -1.955 1.00 0.00 H new ATOM 769 N PRO A 49 7.564 4.413 -7.112 1.00 0.00 N ATOM 770 CA PRO A 49 7.223 4.695 -8.509 1.00 0.00 C ATOM 771 C PRO A 49 6.159 5.782 -8.637 1.00 0.00 C ATOM 772 O PRO A 49 5.613 6.249 -7.636 1.00 0.00 O ATOM 773 CB PRO A 49 6.687 3.353 -9.006 1.00 0.00 C ATOM 774 CG PRO A 49 6.099 2.719 -7.793 1.00 0.00 C ATOM 775 CD PRO A 49 6.970 3.148 -6.643 1.00 0.00 C ATOM 0 HA PRO A 49 8.074 5.069 -9.077 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.938 3.488 -9.787 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.482 2.739 -9.430 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.068 3.041 -7.644 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.083 1.633 -7.888 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.389 3.291 -5.732 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.735 2.404 -6.420 1.00 0.00 H new ATOM 783 N ARG A 50 5.864 6.183 -9.863 1.00 0.00 N ATOM 784 CA ARG A 50 4.864 7.213 -10.094 1.00 0.00 C ATOM 785 C ARG A 50 3.519 6.618 -10.509 1.00 0.00 C ATOM 786 O ARG A 50 3.315 5.405 -10.431 1.00 0.00 O ATOM 787 CB ARG A 50 5.356 8.225 -11.130 1.00 0.00 C ATOM 788 CG ARG A 50 6.164 9.361 -10.518 1.00 0.00 C ATOM 789 CD ARG A 50 6.510 10.425 -11.544 1.00 0.00 C ATOM 790 NE ARG A 50 7.686 10.070 -12.337 1.00 0.00 N ATOM 791 CZ ARG A 50 7.820 10.335 -13.634 1.00 0.00 C ATOM 792 NH1 ARG A 50 6.796 10.827 -14.327 1.00 0.00 N ATOM 793 NH2 ARG A 50 8.970 10.078 -14.244 1.00 0.00 N ATOM 0 H ARG A 50 6.299 5.814 -10.708 1.00 0.00 H new ATOM 0 HA ARG A 50 4.709 7.734 -9.149 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.968 7.710 -11.870 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.498 8.641 -11.659 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.597 9.812 -9.704 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.081 8.962 -10.085 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.659 10.576 -12.208 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.690 11.372 -11.035 1.00 0.00 H new ATOM 0 HE ARG A 50 8.452 9.589 -11.866 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.904 11.002 -13.864 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.903 11.029 -15.321 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.748 9.679 -13.719 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.076 10.280 -15.238 1.00 0.00 H new ATOM 807 N MET A 51 2.625 7.492 -10.977 1.00 0.00 N ATOM 808 CA MET A 51 1.212 7.164 -11.186 1.00 0.00 C ATOM 809 C MET A 51 1.014 5.882 -11.990 1.00 0.00 C ATOM 810 O MET A 51 0.237 5.017 -11.591 1.00 0.00 O ATOM 811 CB MET A 51 0.508 8.329 -11.889 1.00 0.00 C ATOM 812 CG MET A 51 -0.998 8.150 -12.010 1.00 0.00 C ATOM 813 SD MET A 51 -1.833 8.161 -10.410 1.00 0.00 S ATOM 814 CE MET A 51 -1.473 9.824 -9.848 1.00 0.00 C ATOM 0 H MET A 51 2.862 8.453 -11.223 1.00 0.00 H new ATOM 0 HA MET A 51 0.774 6.996 -10.202 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.713 9.249 -11.342 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.932 8.450 -12.886 1.00 0.00 H new ATOM 0 HG2 MET A 51 -1.405 8.946 -12.633 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.208 7.209 -12.518 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.197 10.116 -9.088 1.00 0.00 H new ATOM 0 HE2 MET A 51 -0.469 9.856 -9.424 1.00 0.00 H new ATOM 0 HE3 MET A 51 -1.533 10.514 -10.690 1.00 0.00 H new ATOM 824 N GLY A 52 1.737 5.749 -13.095 1.00 0.00 N ATOM 825 CA GLY A 52 1.543 4.611 -13.977 1.00 0.00 C ATOM 826 C GLY A 52 1.790 3.276 -13.295 1.00 0.00 C ATOM 827 O GLY A 52 1.123 2.285 -13.595 1.00 0.00 O ATOM 0 H GLY A 52 2.454 6.408 -13.397 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.525 4.630 -14.366 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.212 4.704 -14.832 1.00 0.00 H new ATOM 831 N LYS A 53 2.737 3.253 -12.369 1.00 0.00 N ATOM 832 CA LYS A 53 3.099 2.021 -11.680 1.00 0.00 C ATOM 833 C LYS A 53 2.312 1.867 -10.382 1.00 0.00 C ATOM 834 O LYS A 53 1.948 0.756 -10.000 1.00 0.00 O ATOM 835 CB LYS A 53 4.607 1.981 -11.413 1.00 0.00 C ATOM 836 CG LYS A 53 5.423 1.357 -12.543 1.00 0.00 C ATOM 837 CD LYS A 53 5.004 1.875 -13.912 1.00 0.00 C ATOM 838 CE LYS A 53 5.844 1.276 -15.029 1.00 0.00 C ATOM 839 NZ LYS A 53 5.196 1.456 -16.356 1.00 0.00 N ATOM 0 H LYS A 53 3.269 4.073 -12.077 1.00 0.00 H new ATOM 0 HA LYS A 53 2.842 1.181 -12.326 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.962 2.997 -11.241 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.788 1.421 -10.496 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.480 1.569 -12.385 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.308 0.273 -12.516 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.953 1.640 -14.083 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.095 2.961 -13.932 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.828 1.745 -15.037 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.999 0.214 -14.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.795 1.036 -17.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.268 0.987 -16.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.071 2.471 -16.547 1.00 0.00 H new ATOM 853 N VAL A 54 2.037 2.983 -9.713 1.00 0.00 N ATOM 854 CA VAL A 54 1.244 2.956 -8.489 1.00 0.00 C ATOM 855 C VAL A 54 -0.178 2.488 -8.789 1.00 0.00 C ATOM 856 O VAL A 54 -0.739 1.669 -8.060 1.00 0.00 O ATOM 857 CB VAL A 54 1.199 4.340 -7.805 1.00 0.00 C ATOM 858 CG1 VAL A 54 0.285 4.319 -6.589 1.00 0.00 C ATOM 859 CG2 VAL A 54 2.598 4.779 -7.402 1.00 0.00 C ATOM 0 H VAL A 54 2.350 3.912 -9.996 1.00 0.00 H new ATOM 0 HA VAL A 54 1.724 2.255 -7.806 1.00 0.00 H new ATOM 0 HB VAL A 54 0.797 5.056 -8.522 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.272 5.306 -6.127 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.725 4.049 -6.898 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.652 3.587 -5.870 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.548 5.756 -6.921 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.021 4.054 -6.707 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.229 4.842 -8.289 1.00 0.00 H new ATOM 869 N GLN A 55 -0.746 2.993 -9.880 1.00 0.00 N ATOM 870 CA GLN A 55 -2.093 2.614 -10.288 1.00 0.00 C ATOM 871 C GLN A 55 -2.133 1.126 -10.621 1.00 0.00 C ATOM 872 O GLN A 55 -3.085 0.431 -10.275 1.00 0.00 O ATOM 873 CB GLN A 55 -2.539 3.457 -11.493 1.00 0.00 C ATOM 874 CG GLN A 55 -4.050 3.530 -11.685 1.00 0.00 C ATOM 875 CD GLN A 55 -4.657 2.255 -12.240 1.00 0.00 C ATOM 876 OE1 GLN A 55 -4.033 1.536 -13.022 1.00 0.00 O ATOM 877 NE2 GLN A 55 -5.881 1.968 -11.835 1.00 0.00 N ATOM 0 H GLN A 55 -0.293 3.667 -10.498 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.784 2.804 -9.467 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.150 4.469 -11.377 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.090 3.044 -12.396 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.518 3.758 -10.728 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.282 4.355 -12.358 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.363 2.591 -11.186 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.345 1.124 -12.171 1.00 0.00 H new ATOM 886 N ALA A 56 -1.074 0.640 -11.258 1.00 0.00 N ATOM 887 CA ALA A 56 -0.977 -0.768 -11.625 1.00 0.00 C ATOM 888 C ALA A 56 -0.921 -1.646 -10.377 1.00 0.00 C ATOM 889 O ALA A 56 -1.544 -2.707 -10.329 1.00 0.00 O ATOM 890 CB ALA A 56 0.247 -1.004 -12.501 1.00 0.00 C ATOM 0 H ALA A 56 -0.268 1.202 -11.532 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.867 -1.039 -12.193 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.306 -2.059 -12.767 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.166 -0.405 -13.408 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.146 -0.716 -11.955 1.00 0.00 H new ATOM 896 N LEU A 57 -0.180 -1.192 -9.371 1.00 0.00 N ATOM 897 CA LEU A 57 -0.103 -1.893 -8.094 1.00 0.00 C ATOM 898 C LEU A 57 -1.463 -1.889 -7.408 1.00 0.00 C ATOM 899 O LEU A 57 -1.960 -2.935 -6.988 1.00 0.00 O ATOM 900 CB LEU A 57 0.934 -1.231 -7.182 1.00 0.00 C ATOM 901 CG LEU A 57 2.387 -1.358 -7.635 1.00 0.00 C ATOM 902 CD1 LEU A 57 3.288 -0.485 -6.773 1.00 0.00 C ATOM 903 CD2 LEU A 57 2.840 -2.810 -7.575 1.00 0.00 C ATOM 0 H LEU A 57 0.377 -0.339 -9.416 1.00 0.00 H new ATOM 0 HA LEU A 57 0.199 -2.923 -8.286 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.691 -0.172 -7.094 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.844 -1.663 -6.185 1.00 0.00 H new ATOM 0 HG LEU A 57 2.458 -1.018 -8.668 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.320 -0.586 -7.108 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.978 0.556 -6.861 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.212 -0.799 -5.732 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.878 -2.881 -7.901 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.756 -3.175 -6.552 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.212 -3.414 -8.229 1.00 0.00 H new ATOM 915 N ALA A 58 -2.059 -0.705 -7.317 1.00 0.00 N ATOM 916 CA ALA A 58 -3.355 -0.536 -6.674 1.00 0.00 C ATOM 917 C ALA A 58 -4.423 -1.398 -7.339 1.00 0.00 C ATOM 918 O ALA A 58 -5.219 -2.046 -6.664 1.00 0.00 O ATOM 919 CB ALA A 58 -3.767 0.927 -6.704 1.00 0.00 C ATOM 0 H ALA A 58 -1.660 0.159 -7.685 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.261 -0.861 -5.638 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.737 1.042 -6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.025 1.525 -6.175 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.835 1.265 -7.738 1.00 0.00 H new ATOM 925 N ASP A 59 -4.425 -1.406 -8.665 1.00 0.00 N ATOM 926 CA ASP A 59 -5.382 -2.196 -9.431 1.00 0.00 C ATOM 927 C ASP A 59 -5.180 -3.683 -9.176 1.00 0.00 C ATOM 928 O ASP A 59 -6.138 -4.435 -8.994 1.00 0.00 O ATOM 929 CB ASP A 59 -5.226 -1.910 -10.926 1.00 0.00 C ATOM 930 CG ASP A 59 -6.194 -2.710 -11.775 1.00 0.00 C ATOM 931 OD1 ASP A 59 -7.380 -2.339 -11.838 1.00 0.00 O ATOM 932 OD2 ASP A 59 -5.767 -3.705 -12.397 1.00 0.00 O ATOM 0 H ASP A 59 -3.771 -0.871 -9.236 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.386 -1.916 -9.111 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.382 -0.847 -11.107 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.205 -2.139 -11.232 1.00 0.00 H new ATOM 937 N TYR A 60 -3.920 -4.087 -9.136 1.00 0.00 N ATOM 938 CA TYR A 60 -3.561 -5.487 -8.981 1.00 0.00 C ATOM 939 C TYR A 60 -3.993 -6.015 -7.614 1.00 0.00 C ATOM 940 O TYR A 60 -4.372 -7.178 -7.480 1.00 0.00 O ATOM 941 CB TYR A 60 -2.052 -5.654 -9.165 1.00 0.00 C ATOM 942 CG TYR A 60 -1.639 -7.066 -9.503 1.00 0.00 C ATOM 943 CD1 TYR A 60 -1.948 -7.616 -10.742 1.00 0.00 C ATOM 944 CD2 TYR A 60 -0.928 -7.842 -8.599 1.00 0.00 C ATOM 945 CE1 TYR A 60 -1.567 -8.902 -11.064 1.00 0.00 C ATOM 946 CE2 TYR A 60 -0.545 -9.131 -8.915 1.00 0.00 C ATOM 947 CZ TYR A 60 -0.863 -9.654 -10.150 1.00 0.00 C ATOM 948 OH TYR A 60 -0.476 -10.936 -10.471 1.00 0.00 O ATOM 0 H TYR A 60 -3.121 -3.457 -9.210 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.082 -6.067 -9.743 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.714 -4.986 -9.957 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.546 -5.345 -8.250 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.495 -7.027 -11.464 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.670 -7.432 -7.634 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.820 -9.317 -12.028 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.001 -9.726 -8.198 1.00 0.00 H new ATOM 0 HH TYR A 60 0.501 -11.003 -10.427 1.00 0.00 H new ATOM 958 N PHE A 61 -3.955 -5.154 -6.608 1.00 0.00 N ATOM 959 CA PHE A 61 -4.337 -5.545 -5.259 1.00 0.00 C ATOM 960 C PHE A 61 -5.758 -5.089 -4.926 1.00 0.00 C ATOM 961 O PHE A 61 -6.214 -5.249 -3.794 1.00 0.00 O ATOM 962 CB PHE A 61 -3.346 -4.975 -4.242 1.00 0.00 C ATOM 963 CG PHE A 61 -1.995 -5.637 -4.277 1.00 0.00 C ATOM 964 CD1 PHE A 61 -1.814 -6.893 -3.719 1.00 0.00 C ATOM 965 CD2 PHE A 61 -0.910 -5.006 -4.863 1.00 0.00 C ATOM 966 CE1 PHE A 61 -0.575 -7.506 -3.745 1.00 0.00 C ATOM 967 CE2 PHE A 61 0.331 -5.615 -4.891 1.00 0.00 C ATOM 968 CZ PHE A 61 0.497 -6.866 -4.332 1.00 0.00 C ATOM 0 H PHE A 61 -3.664 -4.181 -6.700 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.315 -6.634 -5.208 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.223 -3.908 -4.427 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.766 -5.079 -3.241 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.650 -7.398 -3.259 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.035 -4.028 -5.303 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.447 -8.485 -3.306 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.170 -5.112 -5.350 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.465 -7.344 -4.354 1.00 0.00 H new ATOM 978 N ASN A 62 -6.446 -4.535 -5.922 1.00 0.00 N ATOM 979 CA ASN A 62 -7.829 -4.066 -5.774 1.00 0.00 C ATOM 980 C ASN A 62 -7.944 -3.042 -4.637 1.00 0.00 C ATOM 981 O ASN A 62 -8.734 -3.199 -3.704 1.00 0.00 O ATOM 982 CB ASN A 62 -8.779 -5.252 -5.542 1.00 0.00 C ATOM 983 CG ASN A 62 -10.244 -4.885 -5.728 1.00 0.00 C ATOM 984 OD1 ASN A 62 -10.925 -4.486 -4.784 1.00 0.00 O ATOM 985 ND2 ASN A 62 -10.745 -5.029 -6.946 1.00 0.00 N ATOM 0 H ASN A 62 -6.063 -4.397 -6.857 1.00 0.00 H new ATOM 0 HA ASN A 62 -8.121 -3.570 -6.700 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.521 -6.057 -6.230 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.632 -5.636 -4.533 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -11.724 -4.807 -7.124 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.151 -5.362 -7.706 1.00 0.00 H new ATOM 992 N ILE A 63 -7.131 -1.998 -4.717 1.00 0.00 N ATOM 993 CA ILE A 63 -7.162 -0.912 -3.746 1.00 0.00 C ATOM 994 C ILE A 63 -7.065 0.429 -4.467 1.00 0.00 C ATOM 995 O ILE A 63 -7.140 0.482 -5.695 1.00 0.00 O ATOM 996 CB ILE A 63 -6.012 -1.022 -2.715 1.00 0.00 C ATOM 997 CG1 ILE A 63 -4.662 -1.169 -3.426 1.00 0.00 C ATOM 998 CG2 ILE A 63 -6.254 -2.185 -1.763 1.00 0.00 C ATOM 999 CD1 ILE A 63 -3.476 -1.212 -2.489 1.00 0.00 C ATOM 0 H ILE A 63 -6.434 -1.880 -5.453 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.106 -0.983 -3.206 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.988 -0.104 -2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.674 -2.081 -4.022 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.535 -0.337 -4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.435 -2.245 -1.046 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.192 -2.030 -1.230 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.309 -3.114 -2.330 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.559 -1.317 -3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.436 -0.289 -1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.577 -2.061 -1.812 1.00 0.00 H new ATOM 1011 N ASN A 64 -6.905 1.507 -3.714 1.00 0.00 N ATOM 1012 CA ASN A 64 -6.757 2.828 -4.306 1.00 0.00 C ATOM 1013 C ASN A 64 -5.293 3.235 -4.321 1.00 0.00 C ATOM 1014 O ASN A 64 -4.475 2.669 -3.599 1.00 0.00 O ATOM 1015 CB ASN A 64 -7.569 3.881 -3.544 1.00 0.00 C ATOM 1016 CG ASN A 64 -9.041 3.867 -3.896 1.00 0.00 C ATOM 1017 OD1 ASN A 64 -9.468 4.526 -4.846 1.00 0.00 O ATOM 1018 ND2 ASN A 64 -9.831 3.140 -3.127 1.00 0.00 N ATOM 0 H ASN A 64 -6.874 1.493 -2.695 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.136 2.774 -5.327 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.456 3.713 -2.473 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.161 4.869 -3.756 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.834 3.110 -3.310 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.438 2.608 -2.350 1.00 0.00 H new ATOM 1025 N LYS A 65 -4.973 4.223 -5.145 1.00 0.00 N ATOM 1026 CA LYS A 65 -3.617 4.757 -5.223 1.00 0.00 C ATOM 1027 C LYS A 65 -3.173 5.321 -3.873 1.00 0.00 C ATOM 1028 O LYS A 65 -1.998 5.267 -3.514 1.00 0.00 O ATOM 1029 CB LYS A 65 -3.545 5.855 -6.293 1.00 0.00 C ATOM 1030 CG LYS A 65 -4.555 6.975 -6.083 1.00 0.00 C ATOM 1031 CD LYS A 65 -4.365 8.109 -7.079 1.00 0.00 C ATOM 1032 CE LYS A 65 -5.404 9.201 -6.872 1.00 0.00 C ATOM 1033 NZ LYS A 65 -5.181 10.364 -7.768 1.00 0.00 N ATOM 0 H LYS A 65 -5.638 4.675 -5.773 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.946 3.942 -5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.541 6.279 -6.300 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.709 5.407 -7.273 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.565 6.575 -6.178 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.460 7.363 -5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.365 8.529 -6.970 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.439 7.721 -8.095 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.399 8.792 -7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.377 9.534 -5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.912 11.083 -7.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.243 10.771 -7.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.232 10.053 -8.759 1.00 0.00 H new ATOM 1047 N SER A 66 -4.136 5.837 -3.124 1.00 0.00 N ATOM 1048 CA SER A 66 -3.868 6.485 -1.854 1.00 0.00 C ATOM 1049 C SER A 66 -3.490 5.480 -0.766 1.00 0.00 C ATOM 1050 O SER A 66 -2.854 5.844 0.220 1.00 0.00 O ATOM 1051 CB SER A 66 -5.097 7.290 -1.446 1.00 0.00 C ATOM 1052 OG SER A 66 -6.279 6.659 -1.916 1.00 0.00 O ATOM 0 H SER A 66 -5.123 5.817 -3.381 1.00 0.00 H new ATOM 0 HA SER A 66 -3.012 7.149 -1.974 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.134 7.384 -0.361 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.030 8.299 -1.852 1.00 0.00 H new ATOM 0 HG SER A 66 -6.216 5.693 -1.766 1.00 0.00 H new ATOM 1058 N ASP A 67 -3.858 4.218 -0.961 1.00 0.00 N ATOM 1059 CA ASP A 67 -3.567 3.169 0.015 1.00 0.00 C ATOM 1060 C ASP A 67 -2.070 2.896 0.097 1.00 0.00 C ATOM 1061 O ASP A 67 -1.567 2.410 1.109 1.00 0.00 O ATOM 1062 CB ASP A 67 -4.306 1.875 -0.341 1.00 0.00 C ATOM 1063 CG ASP A 67 -5.801 1.969 -0.127 1.00 0.00 C ATOM 1064 OD1 ASP A 67 -6.516 2.397 -1.053 1.00 0.00 O ATOM 1065 OD2 ASP A 67 -6.273 1.609 0.971 1.00 0.00 O ATOM 0 H ASP A 67 -4.360 3.894 -1.788 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.913 3.521 0.987 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.109 1.626 -1.384 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.909 1.059 0.262 1.00 0.00 H new ATOM 1070 N LEU A 68 -1.364 3.205 -0.981 1.00 0.00 N ATOM 1071 CA LEU A 68 0.074 2.996 -1.038 1.00 0.00 C ATOM 1072 C LEU A 68 0.824 4.257 -0.614 1.00 0.00 C ATOM 1073 O LEU A 68 1.992 4.203 -0.230 1.00 0.00 O ATOM 1074 CB LEU A 68 0.492 2.590 -2.452 1.00 0.00 C ATOM 1075 CG LEU A 68 -0.142 1.298 -2.971 1.00 0.00 C ATOM 1076 CD1 LEU A 68 0.268 1.047 -4.413 1.00 0.00 C ATOM 1077 CD2 LEU A 68 0.254 0.117 -2.093 1.00 0.00 C ATOM 0 H LEU A 68 -1.766 3.602 -1.830 1.00 0.00 H new ATOM 0 HA LEU A 68 0.330 2.194 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.239 3.400 -3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.576 2.479 -2.476 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.226 1.408 -2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.192 0.124 -4.767 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.063 1.879 -5.035 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.353 0.958 -4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.206 -0.793 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.338 0.006 -2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.086 0.292 -1.072 1.00 0.00 H new ATOM 1089 N ILE A 69 0.143 5.392 -0.686 1.00 0.00 N ATOM 1090 CA ILE A 69 0.757 6.676 -0.375 1.00 0.00 C ATOM 1091 C ILE A 69 0.584 7.021 1.100 1.00 0.00 C ATOM 1092 O ILE A 69 1.546 7.388 1.783 1.00 0.00 O ATOM 1093 CB ILE A 69 0.154 7.811 -1.235 1.00 0.00 C ATOM 1094 CG1 ILE A 69 0.285 7.483 -2.726 1.00 0.00 C ATOM 1095 CG2 ILE A 69 0.827 9.140 -0.917 1.00 0.00 C ATOM 1096 CD1 ILE A 69 1.716 7.336 -3.203 1.00 0.00 C ATOM 0 H ILE A 69 -0.838 5.450 -0.958 1.00 0.00 H new ATOM 0 HA ILE A 69 1.819 6.585 -0.602 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.906 7.898 -0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.252 6.557 -2.932 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.201 8.269 -3.304 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.389 9.926 -1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.680 9.379 0.136 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.894 9.067 -1.127 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.723 7.104 -4.268 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.254 8.268 -3.031 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.202 6.530 -2.653 1.00 0.00 H new