USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 463 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 70 ASN : amide:sc= -0.0671 K(o=0.98,f=-1.1!) USER MOD Set 1.2: A 72 THR OG1 : rot 10:sc= 1.05 USER MOD Set 2.1: A 46 THR OG1 : rot 110:sc= -0.05 USER MOD Set 2.2: A 49 LYS NZ :NH3+ -174:sc= 1.33 (180deg=1.13) USER MOD Set 3.1: A 27 CYS SG : rot -136:sc= 1.96 USER MOD Set 3.2: A 38 HIS : no HD1:sc= -3.35! K(o=-1.8!,f=-4) USER MOD Set 3.3: A 51 CYS SG : rot -169:sc= 0.796 USER MOD Set 3.4: A 54 CYS SG : rot 132:sc= -1.17 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 10 GLN : amide:sc= 0.245 K(o=0.25,f=-1.4!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -122:sc= 0.0746 (180deg=-0.00299) USER MOD Single : A 26 MET CE :methyl 176:sc= -0.133 (180deg=-0.187) USER MOD Single : A 43 MET CE :methyl 172:sc= -1.3 (180deg=-1.57) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -119:sc= 0.443 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -35:sc= 0.0726 USER MOD Single : A 65 SER OG : rot 180:sc= -0.202 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 69 THR OG1 : rot 9:sc= 0.162 USER MOD Single : A 74 CYS SG : rot 67:sc= -0.343 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0523 X(o=-0.052,f=-0.059) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 6 -6.156 -6.179 -0.577 1.00 0.00 N ATOM 78 CA ILE A 6 -5.288 -5.262 0.146 1.00 0.00 C ATOM 79 C ILE A 6 -5.704 -3.816 -0.111 1.00 0.00 C ATOM 80 O ILE A 6 -6.221 -3.494 -1.182 1.00 0.00 O ATOM 81 CB ILE A 6 -3.801 -5.455 -0.229 1.00 0.00 C ATOM 82 CG1 ILE A 6 -3.583 -5.262 -1.734 1.00 0.00 C ATOM 83 CG2 ILE A 6 -3.320 -6.831 0.214 1.00 0.00 C ATOM 84 CD1 ILE A 6 -2.126 -5.333 -2.145 1.00 0.00 C ATOM 0 HA ILE A 6 -5.397 -5.487 1.207 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.216 -4.697 0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.143 -6.024 -2.275 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.990 -4.296 -2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.271 -6.954 -0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.430 -6.924 1.294 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.914 -7.600 -0.279 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.044 -5.188 -3.222 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.564 -4.553 -1.631 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.720 -6.309 -1.878 1.00 0.00 H new ATOM 96 N PRO A 7 -5.504 -2.936 0.879 1.00 0.00 N ATOM 97 CA PRO A 7 -5.881 -1.525 0.774 1.00 0.00 C ATOM 98 C PRO A 7 -5.129 -0.806 -0.341 1.00 0.00 C ATOM 99 O PRO A 7 -3.905 -0.714 -0.323 1.00 0.00 O ATOM 100 CB PRO A 7 -5.501 -0.935 2.140 1.00 0.00 C ATOM 101 CG PRO A 7 -5.364 -2.110 3.048 1.00 0.00 C ATOM 102 CD PRO A 7 -4.900 -3.245 2.182 1.00 0.00 C ATOM 0 HA PRO A 7 -6.937 -1.411 0.531 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -4.569 -0.372 2.081 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.267 -0.247 2.499 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.647 -1.907 3.844 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.314 -2.347 3.527 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.813 -3.289 2.122 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.237 -4.208 2.565 1.00 0.00 H new ATOM 110 N HIS A 8 -5.870 -0.314 -1.322 1.00 0.00 N ATOM 111 CA HIS A 8 -5.278 0.457 -2.404 1.00 0.00 C ATOM 112 C HIS A 8 -5.287 1.933 -2.035 1.00 0.00 C ATOM 113 O HIS A 8 -6.291 2.445 -1.550 1.00 0.00 O ATOM 114 CB HIS A 8 -6.038 0.229 -3.714 1.00 0.00 C ATOM 115 CG HIS A 8 -6.005 -1.192 -4.187 1.00 0.00 C ATOM 116 ND1 HIS A 8 -7.068 -2.057 -4.044 1.00 0.00 N ATOM 117 CD2 HIS A 8 -5.028 -1.901 -4.804 1.00 0.00 C ATOM 118 CE1 HIS A 8 -6.751 -3.230 -4.553 1.00 0.00 C ATOM 119 NE2 HIS A 8 -5.520 -3.164 -5.021 1.00 0.00 N ATOM 0 H HIS A 8 -6.880 -0.435 -1.391 1.00 0.00 H new ATOM 0 HA HIS A 8 -4.250 0.128 -2.552 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.076 0.535 -3.580 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.614 0.870 -4.487 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.047 -1.540 -5.074 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -7.391 -4.099 -4.582 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.015 -3.928 -5.471 1.00 0.00 H new ATOM 128 N PHE A 9 -4.167 2.608 -2.242 1.00 0.00 N ATOM 129 CA PHE A 9 -4.041 4.012 -1.857 1.00 0.00 C ATOM 130 C PHE A 9 -3.964 4.916 -3.079 1.00 0.00 C ATOM 131 O PHE A 9 -3.600 4.474 -4.165 1.00 0.00 O ATOM 132 CB PHE A 9 -2.802 4.216 -0.981 1.00 0.00 C ATOM 133 CG PHE A 9 -3.006 3.871 0.471 1.00 0.00 C ATOM 134 CD1 PHE A 9 -3.697 2.729 0.843 1.00 0.00 C ATOM 135 CD2 PHE A 9 -2.512 4.700 1.465 1.00 0.00 C ATOM 136 CE1 PHE A 9 -3.886 2.419 2.176 1.00 0.00 C ATOM 137 CE2 PHE A 9 -2.700 4.396 2.799 1.00 0.00 C ATOM 138 CZ PHE A 9 -3.390 3.254 3.155 1.00 0.00 C ATOM 0 H PHE A 9 -3.332 2.211 -2.673 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.931 4.281 -1.288 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.988 3.608 -1.376 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.487 5.257 -1.054 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.093 2.073 0.082 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.973 5.596 1.193 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.422 1.523 2.451 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.308 5.051 3.563 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.541 3.015 4.197 1.00 0.00 H new ATOM 148 N GLN A 10 -4.324 6.179 -2.892 1.00 0.00 N ATOM 149 CA GLN A 10 -4.249 7.171 -3.955 1.00 0.00 C ATOM 150 C GLN A 10 -3.558 8.426 -3.451 1.00 0.00 C ATOM 151 O GLN A 10 -3.439 8.634 -2.242 1.00 0.00 O ATOM 152 CB GLN A 10 -5.647 7.526 -4.468 1.00 0.00 C ATOM 153 CG GLN A 10 -6.610 7.959 -3.370 1.00 0.00 C ATOM 154 CD GLN A 10 -7.904 8.539 -3.909 1.00 0.00 C ATOM 155 OE1 GLN A 10 -8.356 8.191 -5.000 1.00 0.00 O ATOM 156 NE2 GLN A 10 -8.513 9.422 -3.140 1.00 0.00 N ATOM 0 H GLN A 10 -4.674 6.542 -2.005 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.673 6.745 -4.776 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.562 8.327 -5.202 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.065 6.662 -4.986 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.839 7.102 -2.737 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.122 8.701 -2.738 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.105 9.684 -2.242 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.391 9.843 -3.443 1.00 0.00 H new ATOM 210 N GLY A 14 -0.409 14.406 -3.443 1.00 0.00 N ATOM 211 CA GLY A 14 0.882 13.852 -3.787 1.00 0.00 C ATOM 212 C GLY A 14 1.360 12.871 -2.739 1.00 0.00 C ATOM 213 O GLY A 14 0.575 12.435 -1.896 1.00 0.00 O ATOM 0 HA2 GLY A 14 0.819 13.352 -4.753 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.609 14.657 -3.892 1.00 0.00 H new ATOM 217 N TYR A 15 2.636 12.513 -2.799 1.00 0.00 N ATOM 218 CA TYR A 15 3.229 11.608 -1.823 1.00 0.00 C ATOM 219 C TYR A 15 4.749 11.709 -1.862 1.00 0.00 C ATOM 220 O TYR A 15 5.322 12.155 -2.856 1.00 0.00 O ATOM 221 CB TYR A 15 2.781 10.157 -2.067 1.00 0.00 C ATOM 222 CG TYR A 15 3.028 9.639 -3.473 1.00 0.00 C ATOM 223 CD1 TYR A 15 4.285 9.197 -3.869 1.00 0.00 C ATOM 224 CD2 TYR A 15 1.993 9.582 -4.399 1.00 0.00 C ATOM 225 CE1 TYR A 15 4.503 8.719 -5.148 1.00 0.00 C ATOM 226 CE2 TYR A 15 2.205 9.103 -5.679 1.00 0.00 C ATOM 227 CZ TYR A 15 3.461 8.671 -6.046 1.00 0.00 C ATOM 228 OH TYR A 15 3.674 8.192 -7.318 1.00 0.00 O ATOM 0 H TYR A 15 3.283 12.838 -3.517 1.00 0.00 H new ATOM 0 HA TYR A 15 2.882 11.905 -0.833 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.299 9.509 -1.360 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.716 10.080 -1.849 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.105 9.227 -3.166 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.007 9.917 -4.114 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.487 8.385 -5.441 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.390 9.068 -6.387 1.00 0.00 H new ATOM 0 HH TYR A 15 2.836 8.225 -7.825 1.00 0.00 H new ATOM 238 N LYS A 16 5.386 11.313 -0.769 1.00 0.00 N ATOM 239 CA LYS A 16 6.840 11.311 -0.678 1.00 0.00 C ATOM 240 C LYS A 16 7.276 10.423 0.480 1.00 0.00 C ATOM 241 O LYS A 16 8.264 9.693 0.388 1.00 0.00 O ATOM 242 CB LYS A 16 7.361 12.737 -0.496 1.00 0.00 C ATOM 243 CG LYS A 16 8.876 12.852 -0.505 1.00 0.00 C ATOM 244 CD LYS A 16 9.313 14.307 -0.551 1.00 0.00 C ATOM 245 CE LYS A 16 8.825 15.082 0.663 1.00 0.00 C ATOM 246 NZ LYS A 16 8.979 16.546 0.481 1.00 0.00 N ATOM 0 H LYS A 16 4.914 10.986 0.074 1.00 0.00 H new ATOM 0 HA LYS A 16 7.260 10.914 -1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.955 13.364 -1.290 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.983 13.132 0.447 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.286 12.374 0.385 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.279 12.320 -1.367 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.401 14.358 -0.602 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.929 14.773 -1.458 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.777 14.847 0.847 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.382 14.765 1.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.635 17.039 1.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.983 16.773 0.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.427 16.853 -0.345 1.00 0.00 H new ATOM 260 N ILE A 17 6.529 10.503 1.570 1.00 0.00 N ATOM 261 CA ILE A 17 6.670 9.580 2.683 1.00 0.00 C ATOM 262 C ILE A 17 5.287 9.178 3.174 1.00 0.00 C ATOM 263 O ILE A 17 4.550 10.005 3.709 1.00 0.00 O ATOM 264 CB ILE A 17 7.461 10.190 3.864 1.00 0.00 C ATOM 265 CG1 ILE A 17 8.884 10.560 3.438 1.00 0.00 C ATOM 266 CG2 ILE A 17 7.495 9.218 5.039 1.00 0.00 C ATOM 267 CD1 ILE A 17 9.699 11.199 4.540 1.00 0.00 C ATOM 0 H ILE A 17 5.807 11.211 1.707 1.00 0.00 H new ATOM 0 HA ILE A 17 7.228 8.716 2.322 1.00 0.00 H new ATOM 0 HB ILE A 17 6.953 11.102 4.177 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.396 9.662 3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.834 11.244 2.591 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.055 9.662 5.862 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.477 9.006 5.366 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.977 8.291 4.730 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.695 11.434 4.166 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.210 12.115 4.870 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.780 10.509 5.380 1.00 0.00 H new ATOM 279 N ILE A 18 4.924 7.933 2.946 1.00 0.00 N ATOM 280 CA ILE A 18 3.629 7.422 3.395 1.00 0.00 C ATOM 281 C ILE A 18 3.786 6.441 4.555 1.00 0.00 C ATOM 282 O ILE A 18 4.396 5.381 4.414 1.00 0.00 O ATOM 283 CB ILE A 18 2.863 6.732 2.242 1.00 0.00 C ATOM 284 CG1 ILE A 18 2.585 7.730 1.114 1.00 0.00 C ATOM 285 CG2 ILE A 18 1.559 6.123 2.749 1.00 0.00 C ATOM 286 CD1 ILE A 18 1.829 7.135 -0.056 1.00 0.00 C ATOM 0 H ILE A 18 5.501 7.251 2.454 1.00 0.00 H new ATOM 0 HA ILE A 18 3.055 8.283 3.736 1.00 0.00 H new ATOM 0 HB ILE A 18 3.485 5.928 1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.014 8.568 1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.533 8.132 0.756 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.036 5.643 1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.778 5.383 3.519 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.930 6.908 3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.670 7.902 -0.814 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.407 6.316 -0.484 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.865 6.758 0.287 1.00 0.00 H new ATOM 298 N GLU A 19 3.217 6.792 5.699 1.00 0.00 N ATOM 299 CA GLU A 19 3.265 5.928 6.866 1.00 0.00 C ATOM 300 C GLU A 19 2.041 5.013 6.890 1.00 0.00 C ATOM 301 O GLU A 19 0.907 5.474 6.772 1.00 0.00 O ATOM 302 CB GLU A 19 3.321 6.764 8.144 1.00 0.00 C ATOM 303 CG GLU A 19 4.471 7.755 8.181 1.00 0.00 C ATOM 304 CD GLU A 19 4.471 8.586 9.448 1.00 0.00 C ATOM 305 OE1 GLU A 19 3.800 9.639 9.469 1.00 0.00 O ATOM 306 OE2 GLU A 19 5.131 8.187 10.432 1.00 0.00 O ATOM 0 H GLU A 19 2.717 7.669 5.843 1.00 0.00 H new ATOM 0 HA GLU A 19 4.165 5.315 6.811 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.382 7.307 8.252 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.403 6.095 9.001 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.415 7.216 8.102 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.407 8.415 7.316 1.00 0.00 H new ATOM 313 N ILE A 20 2.273 3.715 7.031 1.00 0.00 N ATOM 314 CA ILE A 20 1.189 2.739 7.024 1.00 0.00 C ATOM 315 C ILE A 20 1.230 1.863 8.271 1.00 0.00 C ATOM 316 O ILE A 20 2.301 1.567 8.803 1.00 0.00 O ATOM 317 CB ILE A 20 1.240 1.829 5.774 1.00 0.00 C ATOM 318 CG1 ILE A 20 2.609 1.149 5.658 1.00 0.00 C ATOM 319 CG2 ILE A 20 0.922 2.626 4.516 1.00 0.00 C ATOM 320 CD1 ILE A 20 2.706 0.165 4.511 1.00 0.00 C ATOM 0 H ILE A 20 3.202 3.312 7.152 1.00 0.00 H new ATOM 0 HA ILE A 20 0.261 3.310 7.007 1.00 0.00 H new ATOM 0 HB ILE A 20 0.483 1.052 5.883 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.375 1.914 5.534 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.826 0.628 6.591 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.963 1.968 3.648 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.077 3.054 4.599 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.652 3.427 4.399 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.703 -0.276 4.493 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.964 -0.622 4.643 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.521 0.684 3.570 1.00 0.00 H new ATOM 332 N GLY A 21 0.059 1.454 8.732 1.00 0.00 N ATOM 333 CA GLY A 21 -0.021 0.565 9.876 1.00 0.00 C ATOM 334 C GLY A 21 -0.250 -0.870 9.453 1.00 0.00 C ATOM 335 O GLY A 21 -0.901 -1.640 10.157 1.00 0.00 O ATOM 0 H GLY A 21 -0.841 1.722 8.334 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.901 0.632 10.454 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.832 0.886 10.530 1.00 0.00 H new ATOM 339 N VAL A 22 0.283 -1.222 8.291 1.00 0.00 N ATOM 340 CA VAL A 22 0.124 -2.562 7.745 1.00 0.00 C ATOM 341 C VAL A 22 1.498 -3.203 7.550 1.00 0.00 C ATOM 342 O VAL A 22 2.481 -2.508 7.292 1.00 0.00 O ATOM 343 CB VAL A 22 -0.637 -2.539 6.396 1.00 0.00 C ATOM 344 CG1 VAL A 22 -1.046 -3.943 5.981 1.00 0.00 C ATOM 345 CG2 VAL A 22 -1.857 -1.631 6.472 1.00 0.00 C ATOM 0 H VAL A 22 0.833 -0.593 7.705 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.463 -3.148 8.453 1.00 0.00 H new ATOM 0 HB VAL A 22 0.039 -2.140 5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.579 -3.901 5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.157 -4.564 5.871 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.696 -4.373 6.743 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.373 -1.633 5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.532 -1.993 7.247 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.541 -0.616 6.711 1.00 0.00 H new ATOM 355 N LYS A 23 1.565 -4.522 7.675 1.00 0.00 N ATOM 356 CA LYS A 23 2.833 -5.233 7.603 1.00 0.00 C ATOM 357 C LYS A 23 3.210 -5.505 6.144 1.00 0.00 C ATOM 358 O LYS A 23 4.389 -5.536 5.787 1.00 0.00 O ATOM 359 CB LYS A 23 2.726 -6.547 8.389 1.00 0.00 C ATOM 360 CG LYS A 23 3.970 -6.916 9.193 1.00 0.00 C ATOM 361 CD LYS A 23 5.175 -7.166 8.302 1.00 0.00 C ATOM 362 CE LYS A 23 6.326 -7.804 9.065 1.00 0.00 C ATOM 363 NZ LYS A 23 6.834 -6.944 10.166 1.00 0.00 N ATOM 0 H LYS A 23 0.754 -5.121 7.827 1.00 0.00 H new ATOM 0 HA LYS A 23 3.617 -4.618 8.045 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.878 -6.478 9.070 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.509 -7.355 7.690 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.199 -6.113 9.894 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.767 -7.808 9.785 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.886 -7.814 7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.507 -6.223 7.868 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.998 -8.758 9.477 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.140 -8.019 8.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.846 -6.755 10.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.311 -6.045 10.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.700 -7.430 11.076 1.00 0.00 H new ATOM 377 N GLU A 24 2.204 -5.700 5.305 1.00 0.00 N ATOM 378 CA GLU A 24 2.420 -5.953 3.886 1.00 0.00 C ATOM 379 C GLU A 24 1.665 -4.944 3.029 1.00 0.00 C ATOM 380 O GLU A 24 0.540 -4.563 3.349 1.00 0.00 O ATOM 381 CB GLU A 24 2.002 -7.383 3.507 1.00 0.00 C ATOM 382 CG GLU A 24 0.637 -7.808 4.034 1.00 0.00 C ATOM 383 CD GLU A 24 0.683 -8.279 5.476 1.00 0.00 C ATOM 384 OE1 GLU A 24 1.156 -9.413 5.715 1.00 0.00 O ATOM 385 OE2 GLU A 24 0.251 -7.525 6.374 1.00 0.00 O ATOM 0 H GLU A 24 1.223 -5.688 5.584 1.00 0.00 H new ATOM 0 HA GLU A 24 3.487 -5.843 3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.000 -7.471 2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.753 -8.078 3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.056 -6.970 3.952 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.244 -8.609 3.408 1.00 0.00 H new ATOM 392 N PHE A 25 2.294 -4.510 1.947 1.00 0.00 N ATOM 393 CA PHE A 25 1.688 -3.544 1.045 1.00 0.00 C ATOM 394 C PHE A 25 2.312 -3.680 -0.343 1.00 0.00 C ATOM 395 O PHE A 25 3.321 -4.366 -0.509 1.00 0.00 O ATOM 396 CB PHE A 25 1.899 -2.126 1.595 1.00 0.00 C ATOM 397 CG PHE A 25 0.897 -1.118 1.100 1.00 0.00 C ATOM 398 CD1 PHE A 25 -0.330 -0.980 1.729 1.00 0.00 C ATOM 399 CD2 PHE A 25 1.182 -0.309 0.012 1.00 0.00 C ATOM 400 CE1 PHE A 25 -1.252 -0.055 1.282 1.00 0.00 C ATOM 401 CE2 PHE A 25 0.263 0.618 -0.440 1.00 0.00 C ATOM 402 CZ PHE A 25 -0.955 0.746 0.195 1.00 0.00 C ATOM 0 H PHE A 25 3.228 -4.814 1.672 1.00 0.00 H new ATOM 0 HA PHE A 25 0.617 -3.733 0.967 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.856 -2.160 2.684 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.900 -1.789 1.326 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.568 -1.603 2.578 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.134 -0.404 -0.489 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.205 0.043 1.781 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.498 1.242 -1.290 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.675 1.470 -0.156 1.00 0.00 H new ATOM 412 N MET A 26 1.707 -3.051 -1.338 1.00 0.00 N ATOM 413 CA MET A 26 2.278 -3.038 -2.679 1.00 0.00 C ATOM 414 C MET A 26 1.966 -1.719 -3.379 1.00 0.00 C ATOM 415 O MET A 26 0.874 -1.170 -3.234 1.00 0.00 O ATOM 416 CB MET A 26 1.769 -4.215 -3.511 1.00 0.00 C ATOM 417 CG MET A 26 2.542 -4.379 -4.806 1.00 0.00 C ATOM 418 SD MET A 26 2.204 -5.928 -5.653 1.00 0.00 S ATOM 419 CE MET A 26 3.530 -5.904 -6.855 1.00 0.00 C ATOM 0 H MET A 26 0.826 -2.545 -1.246 1.00 0.00 H new ATOM 0 HA MET A 26 3.359 -3.138 -2.582 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.846 -5.131 -2.926 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.713 -4.068 -3.737 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.300 -3.550 -5.471 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.609 -4.316 -4.593 1.00 0.00 H new ATOM 0 HE1 MET A 26 3.519 -6.832 -7.427 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.394 -5.059 -7.530 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.486 -5.806 -6.340 1.00 0.00 H new ATOM 429 N CYS A 27 2.934 -1.220 -4.135 1.00 0.00 N ATOM 430 CA CYS A 27 2.814 0.076 -4.792 1.00 0.00 C ATOM 431 C CYS A 27 1.808 0.046 -5.942 1.00 0.00 C ATOM 432 O CYS A 27 1.810 -0.873 -6.764 1.00 0.00 O ATOM 433 CB CYS A 27 4.182 0.517 -5.308 1.00 0.00 C ATOM 434 SG CYS A 27 4.161 2.048 -6.277 1.00 0.00 S ATOM 0 H CYS A 27 3.818 -1.697 -4.310 1.00 0.00 H new ATOM 0 HA CYS A 27 2.446 0.790 -4.055 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.852 0.649 -4.458 1.00 0.00 H new ATOM 0 HB3 CYS A 27 4.599 -0.281 -5.922 1.00 0.00 H new ATOM 0 HG CYS A 27 4.904 1.903 -7.334 1.00 0.00 H new ATOM 439 N VAL A 28 0.968 1.074 -5.994 1.00 0.00 N ATOM 440 CA VAL A 28 -0.035 1.217 -7.039 1.00 0.00 C ATOM 441 C VAL A 28 0.393 2.337 -8.012 1.00 0.00 C ATOM 442 O VAL A 28 1.559 2.737 -8.012 1.00 0.00 O ATOM 443 CB VAL A 28 -1.418 1.515 -6.401 1.00 0.00 C ATOM 444 CG1 VAL A 28 -1.478 2.932 -5.850 1.00 0.00 C ATOM 445 CG2 VAL A 28 -2.561 1.247 -7.377 1.00 0.00 C ATOM 0 H VAL A 28 0.965 1.832 -5.311 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.120 0.289 -7.604 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.543 0.829 -5.563 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.459 3.110 -5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.710 3.059 -5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.308 3.644 -6.658 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.512 1.468 -6.893 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.445 1.882 -8.256 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.542 0.200 -7.680 1.00 0.00 H new ATOM 581 N HIS A 38 3.427 -2.452 -9.518 1.00 0.00 N ATOM 582 CA HIS A 38 4.707 -1.733 -9.476 1.00 0.00 C ATOM 583 C HIS A 38 5.790 -2.443 -8.670 1.00 0.00 C ATOM 584 O HIS A 38 6.721 -3.006 -9.238 1.00 0.00 O ATOM 585 CB HIS A 38 4.526 -0.302 -8.954 1.00 0.00 C ATOM 586 CG HIS A 38 5.598 0.633 -9.440 1.00 0.00 C ATOM 587 ND1 HIS A 38 6.308 1.502 -8.615 1.00 0.00 N ATOM 588 CD2 HIS A 38 6.075 0.835 -10.691 1.00 0.00 C ATOM 589 CE1 HIS A 38 7.171 2.186 -9.370 1.00 0.00 C ATOM 590 NE2 HIS A 38 7.043 1.798 -10.618 1.00 0.00 N ATOM 0 HA HIS A 38 5.051 -1.706 -10.510 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.552 0.074 -9.267 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.527 -0.314 -7.864 1.00 0.00 H new ATOM 0 HD2 HIS A 38 5.749 0.326 -11.586 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.861 2.936 -9.013 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.580 2.158 -11.407 1.00 0.00 H new ATOM 598 N ILE A 39 5.673 -2.394 -7.359 1.00 0.00 N ATOM 599 CA ILE A 39 6.719 -2.909 -6.473 1.00 0.00 C ATOM 600 C ILE A 39 6.115 -3.549 -5.227 1.00 0.00 C ATOM 601 O ILE A 39 5.250 -2.953 -4.580 1.00 0.00 O ATOM 602 CB ILE A 39 7.693 -1.778 -6.037 1.00 0.00 C ATOM 603 CG1 ILE A 39 8.467 -1.221 -7.240 1.00 0.00 C ATOM 604 CG2 ILE A 39 8.667 -2.271 -4.972 1.00 0.00 C ATOM 605 CD1 ILE A 39 9.454 -2.199 -7.846 1.00 0.00 C ATOM 0 H ILE A 39 4.865 -2.003 -6.874 1.00 0.00 H new ATOM 0 HA ILE A 39 7.272 -3.662 -7.035 1.00 0.00 H new ATOM 0 HB ILE A 39 7.091 -0.976 -5.610 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.755 -0.917 -8.007 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.004 -0.324 -6.930 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.336 -1.459 -4.687 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.110 -2.607 -4.097 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.252 -3.100 -5.370 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.960 -1.730 -8.690 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.190 -2.485 -7.095 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.923 -3.087 -8.189 1.00 0.00 H new ATOM 617 N PHE A 40 6.566 -4.761 -4.909 1.00 0.00 N ATOM 618 CA PHE A 40 6.167 -5.437 -3.677 1.00 0.00 C ATOM 619 C PHE A 40 6.826 -4.759 -2.484 1.00 0.00 C ATOM 620 O PHE A 40 8.035 -4.530 -2.485 1.00 0.00 O ATOM 621 CB PHE A 40 6.581 -6.917 -3.699 1.00 0.00 C ATOM 622 CG PHE A 40 5.890 -7.749 -4.741 1.00 0.00 C ATOM 623 CD1 PHE A 40 6.434 -7.893 -6.007 1.00 0.00 C ATOM 624 CD2 PHE A 40 4.705 -8.405 -4.446 1.00 0.00 C ATOM 625 CE1 PHE A 40 5.806 -8.667 -6.964 1.00 0.00 C ATOM 626 CE2 PHE A 40 4.073 -9.181 -5.398 1.00 0.00 C ATOM 627 CZ PHE A 40 4.623 -9.314 -6.658 1.00 0.00 C ATOM 0 H PHE A 40 7.211 -5.296 -5.490 1.00 0.00 H new ATOM 0 HA PHE A 40 5.082 -5.376 -3.595 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.657 -6.976 -3.862 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.383 -7.350 -2.718 1.00 0.00 H new ATOM 0 HD1 PHE A 40 7.361 -7.394 -6.249 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.271 -8.308 -3.462 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.238 -8.766 -7.949 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.148 -9.684 -5.157 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.130 -9.922 -7.402 1.00 0.00 H new ATOM 637 N ILE A 41 6.038 -4.444 -1.469 1.00 0.00 N ATOM 638 CA ILE A 41 6.550 -3.756 -0.299 1.00 0.00 C ATOM 639 C ILE A 41 6.295 -4.580 0.958 1.00 0.00 C ATOM 640 O ILE A 41 5.257 -4.452 1.609 1.00 0.00 O ATOM 641 CB ILE A 41 5.917 -2.352 -0.156 1.00 0.00 C ATOM 642 CG1 ILE A 41 6.102 -1.564 -1.457 1.00 0.00 C ATOM 643 CG2 ILE A 41 6.535 -1.603 1.017 1.00 0.00 C ATOM 644 CD1 ILE A 41 5.358 -0.250 -1.489 1.00 0.00 C ATOM 0 H ILE A 41 5.041 -4.655 -1.433 1.00 0.00 H new ATOM 0 HA ILE A 41 7.625 -3.632 -0.427 1.00 0.00 H new ATOM 0 HB ILE A 41 4.850 -2.464 0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.165 -1.372 -1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.769 -2.179 -2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.077 -0.618 1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.364 -2.163 1.937 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.607 -1.492 0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.539 0.248 -2.442 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.290 -0.434 -1.373 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.707 0.386 -0.675 1.00 0.00 H new ATOM 656 N ASP A 42 7.231 -5.464 1.272 1.00 0.00 N ATOM 657 CA ASP A 42 7.124 -6.288 2.466 1.00 0.00 C ATOM 658 C ASP A 42 7.981 -5.697 3.573 1.00 0.00 C ATOM 659 O ASP A 42 8.947 -4.979 3.305 1.00 0.00 O ATOM 660 CB ASP A 42 7.551 -7.735 2.181 1.00 0.00 C ATOM 661 CG ASP A 42 9.028 -7.980 2.419 1.00 0.00 C ATOM 662 OD1 ASP A 42 9.843 -7.654 1.532 1.00 0.00 O ATOM 663 OD2 ASP A 42 9.379 -8.503 3.499 1.00 0.00 O ATOM 0 H ASP A 42 8.071 -5.628 0.718 1.00 0.00 H new ATOM 0 HA ASP A 42 6.081 -6.303 2.783 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.971 -8.409 2.812 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.311 -7.981 1.147 1.00 0.00 H new ATOM 668 N MET A 43 7.636 -5.999 4.808 1.00 0.00 N ATOM 669 CA MET A 43 8.337 -5.434 5.949 1.00 0.00 C ATOM 670 C MET A 43 8.963 -6.516 6.810 1.00 0.00 C ATOM 671 O MET A 43 8.841 -6.481 8.034 1.00 0.00 O ATOM 672 CB MET A 43 7.387 -4.580 6.788 1.00 0.00 C ATOM 673 CG MET A 43 7.202 -3.175 6.247 1.00 0.00 C ATOM 674 SD MET A 43 8.729 -2.218 6.295 1.00 0.00 S ATOM 675 CE MET A 43 8.134 -0.634 5.715 1.00 0.00 C ATOM 0 H MET A 43 6.874 -6.633 5.050 1.00 0.00 H new ATOM 0 HA MET A 43 9.139 -4.804 5.565 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.416 -5.073 6.838 1.00 0.00 H new ATOM 0 HB3 MET A 43 7.768 -4.521 7.808 1.00 0.00 H new ATOM 0 HG2 MET A 43 6.841 -3.228 5.220 1.00 0.00 H new ATOM 0 HG3 MET A 43 6.436 -2.662 6.828 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.922 0.111 5.820 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.848 -0.715 4.666 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.269 -0.332 6.305 1.00 0.00 H new ATOM 685 N GLY A 44 9.629 -7.474 6.172 1.00 0.00 N ATOM 686 CA GLY A 44 10.354 -8.487 6.917 1.00 0.00 C ATOM 687 C GLY A 44 11.303 -7.868 7.921 1.00 0.00 C ATOM 688 O GLY A 44 11.356 -8.280 9.080 1.00 0.00 O ATOM 0 H GLY A 44 9.679 -7.567 5.157 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.647 -9.134 7.435 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.915 -9.116 6.226 1.00 0.00 H new ATOM 692 N SER A 45 12.054 -6.878 7.463 1.00 0.00 N ATOM 693 CA SER A 45 12.905 -6.081 8.330 1.00 0.00 C ATOM 694 C SER A 45 13.421 -4.878 7.548 1.00 0.00 C ATOM 695 O SER A 45 14.351 -4.994 6.749 1.00 0.00 O ATOM 696 CB SER A 45 14.069 -6.919 8.872 1.00 0.00 C ATOM 697 OG SER A 45 14.750 -6.240 9.914 1.00 0.00 O ATOM 0 H SER A 45 12.090 -6.606 6.481 1.00 0.00 H new ATOM 0 HA SER A 45 12.326 -5.735 9.186 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.692 -7.873 9.242 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.766 -7.143 8.064 1.00 0.00 H new ATOM 0 HG SER A 45 15.486 -6.798 10.242 1.00 0.00 H new ATOM 703 N THR A 46 12.777 -3.734 7.731 1.00 0.00 N ATOM 704 CA THR A 46 13.160 -2.524 7.013 1.00 0.00 C ATOM 705 C THR A 46 12.739 -1.278 7.785 1.00 0.00 C ATOM 706 O THR A 46 13.472 -0.289 7.827 1.00 0.00 O ATOM 707 CB THR A 46 12.533 -2.479 5.599 1.00 0.00 C ATOM 708 OG1 THR A 46 12.742 -3.726 4.913 1.00 0.00 O ATOM 709 CG2 THR A 46 13.141 -1.354 4.774 1.00 0.00 C ATOM 0 H THR A 46 11.989 -3.617 8.368 1.00 0.00 H new ATOM 0 HA THR A 46 14.245 -2.543 6.915 1.00 0.00 H new ATOM 0 HB THR A 46 11.464 -2.303 5.717 1.00 0.00 H new ATOM 0 HG1 THR A 46 11.888 -4.200 4.828 1.00 0.00 H new ATOM 0 HG21 THR A 46 12.685 -1.342 3.784 1.00 0.00 H new ATOM 0 HG22 THR A 46 12.959 -0.400 5.269 1.00 0.00 H new ATOM 0 HG23 THR A 46 14.215 -1.513 4.677 1.00 0.00 H new ATOM 717 N ASP A 47 11.537 -1.343 8.365 1.00 0.00 N ATOM 718 CA ASP A 47 10.958 -0.267 9.184 1.00 0.00 C ATOM 719 C ASP A 47 10.424 0.851 8.292 1.00 0.00 C ATOM 720 O ASP A 47 9.264 1.249 8.386 1.00 0.00 O ATOM 721 CB ASP A 47 11.979 0.270 10.198 1.00 0.00 C ATOM 722 CG ASP A 47 11.362 1.184 11.237 1.00 0.00 C ATOM 723 OD1 ASP A 47 10.471 0.726 11.979 1.00 0.00 O ATOM 724 OD2 ASP A 47 11.793 2.353 11.342 1.00 0.00 O ATOM 0 H ASP A 47 10.927 -2.156 8.279 1.00 0.00 H new ATOM 0 HA ASP A 47 10.123 -0.680 9.750 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.459 -0.570 10.701 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.761 0.811 9.665 1.00 0.00 H new ATOM 729 N GLU A 48 11.276 1.325 7.403 1.00 0.00 N ATOM 730 CA GLU A 48 10.908 2.337 6.430 1.00 0.00 C ATOM 731 C GLU A 48 11.380 1.914 5.042 1.00 0.00 C ATOM 732 O GLU A 48 12.580 1.824 4.780 1.00 0.00 O ATOM 733 CB GLU A 48 11.519 3.678 6.833 1.00 0.00 C ATOM 734 CG GLU A 48 12.917 3.549 7.413 1.00 0.00 C ATOM 735 CD GLU A 48 13.502 4.889 7.816 1.00 0.00 C ATOM 736 OE1 GLU A 48 13.152 5.399 8.903 1.00 0.00 O ATOM 737 OE2 GLU A 48 14.310 5.447 7.043 1.00 0.00 O ATOM 0 H GLU A 48 12.246 1.018 7.335 1.00 0.00 H new ATOM 0 HA GLU A 48 9.824 2.446 6.402 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.553 4.331 5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.872 4.159 7.566 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.887 2.892 8.282 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.570 3.077 6.679 1.00 0.00 H new ATOM 744 N LYS A 49 10.432 1.641 4.159 1.00 0.00 N ATOM 745 CA LYS A 49 10.752 1.093 2.851 1.00 0.00 C ATOM 746 C LYS A 49 10.358 2.063 1.743 1.00 0.00 C ATOM 747 O LYS A 49 9.178 2.342 1.543 1.00 0.00 O ATOM 748 CB LYS A 49 10.019 -0.231 2.646 1.00 0.00 C ATOM 749 CG LYS A 49 10.872 -1.312 2.007 1.00 0.00 C ATOM 750 CD LYS A 49 10.025 -2.475 1.523 1.00 0.00 C ATOM 751 CE LYS A 49 10.877 -3.668 1.122 1.00 0.00 C ATOM 752 NZ LYS A 49 11.427 -4.385 2.305 1.00 0.00 N ATOM 0 H LYS A 49 9.437 1.790 4.324 1.00 0.00 H new ATOM 0 HA LYS A 49 11.829 0.929 2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.658 -0.589 3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.142 -0.057 2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.427 -0.891 1.169 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.607 -1.671 2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.332 -2.772 2.310 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.423 -2.156 0.672 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.278 -4.357 0.527 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.698 -3.331 0.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.082 -5.128 1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.935 -3.712 2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.648 -4.817 2.842 1.00 0.00 H new ATOM 766 N ILE A 50 11.341 2.575 1.024 1.00 0.00 N ATOM 767 CA ILE A 50 11.062 3.440 -0.108 1.00 0.00 C ATOM 768 C ILE A 50 10.797 2.593 -1.349 1.00 0.00 C ATOM 769 O ILE A 50 11.414 1.547 -1.539 1.00 0.00 O ATOM 770 CB ILE A 50 12.214 4.443 -0.377 1.00 0.00 C ATOM 771 CG1 ILE A 50 11.781 5.494 -1.408 1.00 0.00 C ATOM 772 CG2 ILE A 50 13.471 3.722 -0.850 1.00 0.00 C ATOM 773 CD1 ILE A 50 12.821 6.565 -1.663 1.00 0.00 C ATOM 0 H ILE A 50 12.332 2.409 1.202 1.00 0.00 H new ATOM 0 HA ILE A 50 10.176 4.027 0.133 1.00 0.00 H new ATOM 0 HB ILE A 50 12.446 4.947 0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.550 4.993 -2.348 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.861 5.968 -1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 50 14.262 4.450 -1.031 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.795 3.016 -0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.256 3.183 -1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 50 12.443 7.271 -2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 50 13.035 7.093 -0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 50 13.735 6.103 -2.037 1.00 0.00 H new ATOM 785 N CYS A 51 9.846 3.020 -2.163 1.00 0.00 N ATOM 786 CA CYS A 51 9.547 2.317 -3.396 1.00 0.00 C ATOM 787 C CYS A 51 10.290 2.951 -4.558 1.00 0.00 C ATOM 788 O CYS A 51 10.128 4.145 -4.825 1.00 0.00 O ATOM 789 CB CYS A 51 8.041 2.323 -3.671 1.00 0.00 C ATOM 790 SG CYS A 51 7.580 1.677 -5.302 1.00 0.00 S ATOM 0 H CYS A 51 9.272 3.845 -1.992 1.00 0.00 H new ATOM 0 HA CYS A 51 9.876 1.283 -3.288 1.00 0.00 H new ATOM 0 HB2 CYS A 51 7.541 1.732 -2.904 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.670 3.344 -3.579 1.00 0.00 H new ATOM 0 HG CYS A 51 6.329 1.941 -5.535 1.00 0.00 H new ATOM 795 N PRO A 52 11.121 2.159 -5.251 1.00 0.00 N ATOM 796 CA PRO A 52 11.845 2.614 -6.438 1.00 0.00 C ATOM 797 C PRO A 52 10.897 3.113 -7.524 1.00 0.00 C ATOM 798 O PRO A 52 9.726 2.698 -7.582 1.00 0.00 O ATOM 799 CB PRO A 52 12.591 1.364 -6.913 1.00 0.00 C ATOM 800 CG PRO A 52 12.679 0.490 -5.711 1.00 0.00 C ATOM 801 CD PRO A 52 11.435 0.756 -4.920 1.00 0.00 C ATOM 0 HA PRO A 52 12.505 3.453 -6.217 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.056 0.869 -7.723 1.00 0.00 H new ATOM 0 HB3 PRO A 52 13.582 1.615 -7.292 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.744 -0.560 -5.995 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.570 0.718 -5.126 1.00 0.00 H new ATOM 0 HD2 PRO A 52 10.625 0.084 -5.204 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.601 0.621 -3.851 1.00 0.00 H new ATOM 809 N TYR A 53 11.407 4.008 -8.369 1.00 0.00 N ATOM 810 CA TYR A 53 10.629 4.609 -9.452 1.00 0.00 C ATOM 811 C TYR A 53 9.443 5.395 -8.891 1.00 0.00 C ATOM 812 O TYR A 53 8.425 5.552 -9.566 1.00 0.00 O ATOM 813 CB TYR A 53 10.107 3.540 -10.425 1.00 0.00 C ATOM 814 CG TYR A 53 11.143 2.553 -10.922 1.00 0.00 C ATOM 815 CD1 TYR A 53 12.029 2.888 -11.937 1.00 0.00 C ATOM 816 CD2 TYR A 53 11.216 1.273 -10.385 1.00 0.00 C ATOM 817 CE1 TYR A 53 12.957 1.976 -12.403 1.00 0.00 C ATOM 818 CE2 TYR A 53 12.144 0.359 -10.841 1.00 0.00 C ATOM 819 CZ TYR A 53 13.011 0.714 -11.850 1.00 0.00 C ATOM 820 OH TYR A 53 13.933 -0.199 -12.311 1.00 0.00 O ATOM 0 H TYR A 53 12.371 4.337 -8.322 1.00 0.00 H new ATOM 0 HA TYR A 53 11.293 5.284 -9.992 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.307 2.985 -9.934 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.665 4.041 -11.286 1.00 0.00 H new ATOM 0 HD1 TYR A 53 11.992 3.877 -12.369 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.534 0.989 -9.597 1.00 0.00 H new ATOM 0 HE1 TYR A 53 13.637 2.250 -13.196 1.00 0.00 H new ATOM 0 HE2 TYR A 53 12.190 -0.630 -10.409 1.00 0.00 H new ATOM 0 HH TYR A 53 13.839 -1.039 -11.814 1.00 0.00 H new ATOM 830 N CYS A 54 9.569 5.882 -7.658 1.00 0.00 N ATOM 831 CA CYS A 54 8.476 6.598 -7.006 1.00 0.00 C ATOM 832 C CYS A 54 8.971 7.656 -6.022 1.00 0.00 C ATOM 833 O CYS A 54 8.856 8.850 -6.291 1.00 0.00 O ATOM 834 CB CYS A 54 7.558 5.630 -6.249 1.00 0.00 C ATOM 835 SG CYS A 54 6.599 4.504 -7.290 1.00 0.00 S ATOM 0 H CYS A 54 10.414 5.794 -7.093 1.00 0.00 H new ATOM 0 HA CYS A 54 7.927 7.094 -7.806 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.166 5.038 -5.565 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.867 6.212 -5.639 1.00 0.00 H new ATOM 0 HG CYS A 54 6.706 3.292 -6.832 1.00 0.00 H new ATOM 840 N SER A 55 9.560 7.193 -4.908 1.00 0.00 N ATOM 841 CA SER A 55 9.709 8.008 -3.696 1.00 0.00 C ATOM 842 C SER A 55 8.329 8.200 -3.062 1.00 0.00 C ATOM 843 O SER A 55 7.438 8.794 -3.662 1.00 0.00 O ATOM 844 CB SER A 55 10.383 9.355 -3.983 1.00 0.00 C ATOM 845 OG SER A 55 11.676 9.165 -4.536 1.00 0.00 O ATOM 0 H SER A 55 9.943 6.251 -4.824 1.00 0.00 H new ATOM 0 HA SER A 55 10.365 7.486 -2.999 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.769 9.934 -4.673 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.458 9.933 -3.062 1.00 0.00 H new ATOM 0 HG SER A 55 12.087 10.037 -4.713 1.00 0.00 H new ATOM 851 N THR A 56 8.155 7.692 -1.846 1.00 0.00 N ATOM 852 CA THR A 56 6.843 7.520 -1.264 1.00 0.00 C ATOM 853 C THR A 56 7.005 6.870 0.101 1.00 0.00 C ATOM 854 O THR A 56 6.069 6.839 0.882 1.00 0.00 O ATOM 855 CB THR A 56 5.936 6.647 -2.166 1.00 0.00 C ATOM 856 OG1 THR A 56 4.656 6.453 -1.561 1.00 0.00 O ATOM 857 CG2 THR A 56 6.581 5.297 -2.440 1.00 0.00 C ATOM 0 H THR A 56 8.921 7.391 -1.244 1.00 0.00 H new ATOM 0 HA THR A 56 6.364 8.494 -1.166 1.00 0.00 H new ATOM 0 HB THR A 56 5.805 7.173 -3.112 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.511 5.497 -1.401 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.925 4.702 -3.075 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.536 5.446 -2.943 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.745 4.774 -1.498 1.00 0.00 H new ATOM 865 N LEU A 57 8.215 6.331 0.323 1.00 0.00 N ATOM 866 CA LEU A 57 8.677 5.790 1.609 1.00 0.00 C ATOM 867 C LEU A 57 7.539 5.271 2.481 1.00 0.00 C ATOM 868 O LEU A 57 6.988 6.002 3.299 1.00 0.00 O ATOM 869 CB LEU A 57 9.496 6.856 2.353 1.00 0.00 C ATOM 870 CG LEU A 57 10.447 6.338 3.444 1.00 0.00 C ATOM 871 CD1 LEU A 57 11.550 7.351 3.700 1.00 0.00 C ATOM 872 CD2 LEU A 57 9.699 6.054 4.740 1.00 0.00 C ATOM 0 H LEU A 57 8.919 6.258 -0.411 1.00 0.00 H new ATOM 0 HA LEU A 57 9.308 4.928 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.083 7.410 1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.804 7.564 2.809 1.00 0.00 H new ATOM 0 HG LEU A 57 10.885 5.405 3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.218 6.974 4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.115 7.514 2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.110 8.293 4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.399 5.689 5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.228 6.970 5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.934 5.299 4.560 1.00 0.00 H new ATOM 884 N TYR A 58 7.182 4.017 2.287 1.00 0.00 N ATOM 885 CA TYR A 58 6.176 3.387 3.116 1.00 0.00 C ATOM 886 C TYR A 58 6.802 2.947 4.423 1.00 0.00 C ATOM 887 O TYR A 58 7.711 2.118 4.444 1.00 0.00 O ATOM 888 CB TYR A 58 5.537 2.197 2.401 1.00 0.00 C ATOM 889 CG TYR A 58 4.607 2.593 1.277 1.00 0.00 C ATOM 890 CD1 TYR A 58 5.085 2.800 -0.010 1.00 0.00 C ATOM 891 CD2 TYR A 58 3.246 2.753 1.502 1.00 0.00 C ATOM 892 CE1 TYR A 58 4.235 3.152 -1.040 1.00 0.00 C ATOM 893 CE2 TYR A 58 2.391 3.107 0.477 1.00 0.00 C ATOM 894 CZ TYR A 58 2.890 3.304 -0.791 1.00 0.00 C ATOM 895 OH TYR A 58 2.044 3.650 -1.818 1.00 0.00 O ATOM 0 H TYR A 58 7.574 3.415 1.563 1.00 0.00 H new ATOM 0 HA TYR A 58 5.387 4.112 3.319 1.00 0.00 H new ATOM 0 HB2 TYR A 58 6.325 1.559 2.001 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.983 1.603 3.127 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.140 2.684 -0.209 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.850 2.598 2.495 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.624 3.307 -2.036 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.335 3.229 0.669 1.00 0.00 H new ATOM 0 HH TYR A 58 1.127 3.716 -1.478 1.00 0.00 H new ATOM 905 N ARG A 59 6.338 3.535 5.507 1.00 0.00 N ATOM 906 CA ARG A 59 6.882 3.246 6.818 1.00 0.00 C ATOM 907 C ARG A 59 5.878 2.485 7.669 1.00 0.00 C ATOM 908 O ARG A 59 4.771 2.961 7.901 1.00 0.00 O ATOM 909 CB ARG A 59 7.276 4.550 7.516 1.00 0.00 C ATOM 910 CG ARG A 59 7.708 4.361 8.959 1.00 0.00 C ATOM 911 CD ARG A 59 8.078 5.683 9.607 1.00 0.00 C ATOM 912 NE ARG A 59 8.417 5.519 11.018 1.00 0.00 N ATOM 913 CZ ARG A 59 9.655 5.351 11.473 1.00 0.00 C ATOM 914 NH1 ARG A 59 10.685 5.338 10.635 1.00 0.00 N ATOM 915 NH2 ARG A 59 9.862 5.204 12.771 1.00 0.00 N ATOM 0 H ARG A 59 5.582 4.219 5.505 1.00 0.00 H new ATOM 0 HA ARG A 59 7.766 2.621 6.692 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.089 5.018 6.961 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.431 5.238 7.486 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.902 3.891 9.523 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.561 3.684 8.999 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.924 6.123 9.079 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.246 6.380 9.512 1.00 0.00 H new ATOM 0 HE ARG A 59 7.656 5.534 11.697 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.530 5.457 9.634 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.632 5.209 10.992 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.074 5.220 13.418 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.810 5.075 13.125 1.00 0.00 H new ATOM 929 N TYR A 60 6.270 1.305 8.126 1.00 0.00 N ATOM 930 CA TYR A 60 5.453 0.557 9.065 1.00 0.00 C ATOM 931 C TYR A 60 5.750 1.062 10.470 1.00 0.00 C ATOM 932 O TYR A 60 6.642 0.563 11.154 1.00 0.00 O ATOM 933 CB TYR A 60 5.722 -0.953 8.947 1.00 0.00 C ATOM 934 CG TYR A 60 4.984 -1.800 9.966 1.00 0.00 C ATOM 935 CD1 TYR A 60 3.622 -1.634 10.197 1.00 0.00 C ATOM 936 CD2 TYR A 60 5.658 -2.769 10.701 1.00 0.00 C ATOM 937 CE1 TYR A 60 2.956 -2.408 11.131 1.00 0.00 C ATOM 938 CE2 TYR A 60 5.000 -3.543 11.636 1.00 0.00 C ATOM 939 CZ TYR A 60 3.652 -3.360 11.847 1.00 0.00 C ATOM 940 OH TYR A 60 2.998 -4.135 12.779 1.00 0.00 O ATOM 0 H TYR A 60 7.143 0.848 7.863 1.00 0.00 H new ATOM 0 HA TYR A 60 4.398 0.709 8.839 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.442 -1.283 7.947 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.793 -1.129 9.053 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.076 -0.889 9.638 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.715 -2.919 10.538 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.898 -2.268 11.298 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.541 -4.289 12.200 1.00 0.00 H new ATOM 0 HH TYR A 60 3.634 -4.756 13.192 1.00 0.00 H new ATOM 950 N ASP A 61 5.018 2.090 10.867 1.00 0.00 N ATOM 951 CA ASP A 61 5.284 2.773 12.122 1.00 0.00 C ATOM 952 C ASP A 61 4.409 2.206 13.235 1.00 0.00 C ATOM 953 O ASP A 61 3.182 2.207 13.131 1.00 0.00 O ATOM 954 CB ASP A 61 5.040 4.274 11.955 1.00 0.00 C ATOM 955 CG ASP A 61 5.513 5.079 13.146 1.00 0.00 C ATOM 956 OD1 ASP A 61 6.716 5.418 13.201 1.00 0.00 O ATOM 957 OD2 ASP A 61 4.689 5.392 14.022 1.00 0.00 O ATOM 0 H ASP A 61 4.234 2.470 10.337 1.00 0.00 H new ATOM 0 HA ASP A 61 6.326 2.614 12.398 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.552 4.624 11.059 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.975 4.450 11.803 1.00 0.00 H new ATOM 962 N PRO A 62 5.034 1.703 14.315 1.00 0.00 N ATOM 963 CA PRO A 62 4.322 1.050 15.422 1.00 0.00 C ATOM 964 C PRO A 62 3.356 1.976 16.157 1.00 0.00 C ATOM 965 O PRO A 62 2.461 1.512 16.862 1.00 0.00 O ATOM 966 CB PRO A 62 5.443 0.600 16.370 1.00 0.00 C ATOM 967 CG PRO A 62 6.685 0.619 15.547 1.00 0.00 C ATOM 968 CD PRO A 62 6.491 1.711 14.537 1.00 0.00 C ATOM 0 HA PRO A 62 3.698 0.237 15.051 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.528 1.270 17.225 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.248 -0.397 16.765 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.561 0.811 16.166 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.844 -0.342 15.058 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.837 2.674 14.913 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.040 1.512 13.617 1.00 0.00 H new ATOM 976 N SER A 63 3.522 3.282 15.978 1.00 0.00 N ATOM 977 CA SER A 63 2.680 4.251 16.665 1.00 0.00 C ATOM 978 C SER A 63 1.347 4.417 15.933 1.00 0.00 C ATOM 979 O SER A 63 0.431 5.079 16.429 1.00 0.00 O ATOM 980 CB SER A 63 3.406 5.597 16.771 1.00 0.00 C ATOM 981 OG SER A 63 2.778 6.451 17.711 1.00 0.00 O ATOM 0 H SER A 63 4.228 3.691 15.366 1.00 0.00 H new ATOM 0 HA SER A 63 2.474 3.885 17.671 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.443 5.431 17.064 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.424 6.080 15.794 1.00 0.00 H new ATOM 0 HG SER A 63 1.808 6.315 17.679 1.00 0.00 H new ATOM 987 N LEU A 64 1.244 3.807 14.757 1.00 0.00 N ATOM 988 CA LEU A 64 0.019 3.850 13.966 1.00 0.00 C ATOM 989 C LEU A 64 -0.935 2.734 14.383 1.00 0.00 C ATOM 990 O LEU A 64 -0.766 2.117 15.439 1.00 0.00 O ATOM 991 CB LEU A 64 0.350 3.721 12.478 1.00 0.00 C ATOM 992 CG LEU A 64 1.122 4.895 11.876 1.00 0.00 C ATOM 993 CD1 LEU A 64 1.551 4.564 10.462 1.00 0.00 C ATOM 994 CD2 LEU A 64 0.275 6.160 11.887 1.00 0.00 C ATOM 0 H LEU A 64 2.000 3.273 14.328 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.470 4.808 14.144 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.931 2.811 12.330 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.581 3.598 11.925 1.00 0.00 H new ATOM 0 HG LEU A 64 2.009 5.073 12.484 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.100 5.407 10.042 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.192 3.682 10.473 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.670 4.364 9.852 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.844 6.983 11.454 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.630 5.997 11.302 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.003 6.407 12.913 1.00 0.00 H new ATOM 1006 N SER A 65 -1.932 2.476 13.550 1.00 0.00 N ATOM 1007 CA SER A 65 -2.943 1.475 13.847 1.00 0.00 C ATOM 1008 C SER A 65 -3.518 0.910 12.552 1.00 0.00 C ATOM 1009 O SER A 65 -3.271 1.443 11.472 1.00 0.00 O ATOM 1010 CB SER A 65 -4.056 2.102 14.701 1.00 0.00 C ATOM 1011 OG SER A 65 -5.093 1.175 14.973 1.00 0.00 O ATOM 0 H SER A 65 -2.062 2.951 12.657 1.00 0.00 H new ATOM 0 HA SER A 65 -2.487 0.658 14.406 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.635 2.463 15.639 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.468 2.968 14.183 1.00 0.00 H new ATOM 0 HG SER A 65 -5.783 1.607 15.519 1.00 0.00 H new ATOM 1017 N TYR A 66 -4.282 -0.167 12.667 1.00 0.00 N ATOM 1018 CA TYR A 66 -4.973 -0.754 11.526 1.00 0.00 C ATOM 1019 C TYR A 66 -6.001 0.230 10.965 1.00 0.00 C ATOM 1020 O TYR A 66 -6.351 0.183 9.786 1.00 0.00 O ATOM 1021 CB TYR A 66 -5.656 -2.059 11.952 1.00 0.00 C ATOM 1022 CG TYR A 66 -6.457 -2.739 10.862 1.00 0.00 C ATOM 1023 CD1 TYR A 66 -5.831 -3.501 9.883 1.00 0.00 C ATOM 1024 CD2 TYR A 66 -7.840 -2.616 10.814 1.00 0.00 C ATOM 1025 CE1 TYR A 66 -6.563 -4.123 8.888 1.00 0.00 C ATOM 1026 CE2 TYR A 66 -8.577 -3.234 9.824 1.00 0.00 C ATOM 1027 CZ TYR A 66 -7.934 -3.986 8.863 1.00 0.00 C ATOM 1028 OH TYR A 66 -8.667 -4.607 7.875 1.00 0.00 O ATOM 0 H TYR A 66 -4.440 -0.657 13.548 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.247 -0.974 10.743 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.894 -2.752 12.310 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.317 -1.849 12.793 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.757 -3.609 9.899 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -8.347 -2.027 11.564 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.063 -4.713 8.134 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.652 -3.129 9.802 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.619 -4.411 8.002 1.00 0.00 H new ATOM 1038 N ASN A 67 -6.467 1.132 11.818 1.00 0.00 N ATOM 1039 CA ASN A 67 -7.486 2.099 11.429 1.00 0.00 C ATOM 1040 C ASN A 67 -6.865 3.443 11.062 1.00 0.00 C ATOM 1041 O ASN A 67 -7.557 4.344 10.589 1.00 0.00 O ATOM 1042 CB ASN A 67 -8.484 2.307 12.570 1.00 0.00 C ATOM 1043 CG ASN A 67 -9.210 1.040 12.972 1.00 0.00 C ATOM 1044 OD1 ASN A 67 -9.461 0.158 12.151 1.00 0.00 O ATOM 1045 ND2 ASN A 67 -9.546 0.939 14.248 1.00 0.00 N ATOM 0 H ASN A 67 -6.155 1.215 12.786 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.000 1.699 10.555 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.956 2.705 13.437 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.216 3.057 12.270 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -10.032 0.107 14.583 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.319 1.693 14.896 1.00 0.00 H new ATOM 1052 N GLN A 68 -5.563 3.582 11.275 1.00 0.00 N ATOM 1053 CA GLN A 68 -4.902 4.869 11.093 1.00 0.00 C ATOM 1054 C GLN A 68 -3.612 4.711 10.297 1.00 0.00 C ATOM 1055 O GLN A 68 -2.673 4.051 10.741 1.00 0.00 O ATOM 1056 CB GLN A 68 -4.609 5.505 12.457 1.00 0.00 C ATOM 1057 CG GLN A 68 -5.842 5.639 13.335 1.00 0.00 C ATOM 1058 CD GLN A 68 -5.551 6.278 14.677 1.00 0.00 C ATOM 1059 OE1 GLN A 68 -4.446 6.166 15.209 1.00 0.00 O ATOM 1060 NE2 GLN A 68 -6.550 6.937 15.242 1.00 0.00 N ATOM 0 H GLN A 68 -4.947 2.826 11.572 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.570 5.522 10.531 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.864 4.904 12.978 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -4.172 6.492 12.304 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.590 6.234 12.811 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.275 4.652 13.496 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.450 7.005 14.766 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.420 7.377 16.153 1.00 0.00 H new ATOM 1069 N THR A 69 -3.572 5.323 9.122 1.00 0.00 N ATOM 1070 CA THR A 69 -2.414 5.221 8.250 1.00 0.00 C ATOM 1071 C THR A 69 -1.751 6.596 8.059 1.00 0.00 C ATOM 1072 O THR A 69 -1.356 7.237 9.035 1.00 0.00 O ATOM 1073 CB THR A 69 -2.803 4.560 6.893 1.00 0.00 C ATOM 1074 OG1 THR A 69 -1.689 4.548 5.987 1.00 0.00 O ATOM 1075 CG2 THR A 69 -4.003 5.249 6.242 1.00 0.00 C ATOM 0 H THR A 69 -4.330 5.896 8.751 1.00 0.00 H new ATOM 0 HA THR A 69 -1.676 4.573 8.723 1.00 0.00 H new ATOM 0 HB THR A 69 -3.089 3.532 7.114 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.878 4.827 6.462 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.239 4.755 5.299 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.863 5.188 6.908 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.764 6.296 6.054 1.00 0.00 H new ATOM 1083 N ASN A 70 -1.634 7.053 6.821 1.00 0.00 N ATOM 1084 CA ASN A 70 -0.983 8.317 6.521 1.00 0.00 C ATOM 1085 C ASN A 70 -2.027 9.396 6.291 1.00 0.00 C ATOM 1086 O ASN A 70 -3.015 9.169 5.586 1.00 0.00 O ATOM 1087 CB ASN A 70 -0.103 8.156 5.279 1.00 0.00 C ATOM 1088 CG ASN A 70 0.619 9.432 4.888 1.00 0.00 C ATOM 1089 OD1 ASN A 70 1.727 9.692 5.348 1.00 0.00 O ATOM 1090 ND2 ASN A 70 0.001 10.229 4.030 1.00 0.00 N ATOM 0 H ASN A 70 -1.986 6.560 6.001 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.358 8.612 7.364 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.632 7.372 5.462 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.721 7.826 4.444 1.00 0.00 H new ATOM 0 HD21 ASN A 70 0.446 11.096 3.728 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.920 9.976 3.671 1.00 0.00 H new ATOM 1097 N PRO A 71 -1.835 10.579 6.894 1.00 0.00 N ATOM 1098 CA PRO A 71 -2.792 11.678 6.790 1.00 0.00 C ATOM 1099 C PRO A 71 -2.815 12.263 5.384 1.00 0.00 C ATOM 1100 O PRO A 71 -1.906 12.990 4.993 1.00 0.00 O ATOM 1101 CB PRO A 71 -2.281 12.719 7.800 1.00 0.00 C ATOM 1102 CG PRO A 71 -1.217 12.030 8.592 1.00 0.00 C ATOM 1103 CD PRO A 71 -0.674 10.941 7.712 1.00 0.00 C ATOM 0 HA PRO A 71 -3.812 11.354 6.995 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.883 13.596 7.290 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.087 13.065 8.447 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.430 12.729 8.876 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.625 11.617 9.515 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.158 11.291 7.101 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -0.309 10.095 8.294 1.00 0.00 H new ATOM 1111 N THR A 72 -3.892 11.961 4.670 1.00 0.00 N ATOM 1112 CA THR A 72 -4.078 12.290 3.258 1.00 0.00 C ATOM 1113 C THR A 72 -5.357 11.599 2.793 1.00 0.00 C ATOM 1114 O THR A 72 -5.685 10.522 3.302 1.00 0.00 O ATOM 1115 CB THR A 72 -2.885 11.813 2.361 1.00 0.00 C ATOM 1116 OG1 THR A 72 -1.731 12.640 2.546 1.00 0.00 O ATOM 1117 CG2 THR A 72 -3.248 11.817 0.884 1.00 0.00 C ATOM 0 H THR A 72 -4.688 11.464 5.069 1.00 0.00 H new ATOM 0 HA THR A 72 -4.134 13.374 3.160 1.00 0.00 H new ATOM 0 HB THR A 72 -2.661 10.793 2.672 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.876 13.238 3.308 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.393 11.480 0.298 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.091 11.147 0.715 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.521 12.827 0.579 1.00 0.00 H new ATOM 1125 N GLY A 73 -6.094 12.218 1.875 1.00 0.00 N ATOM 1126 CA GLY A 73 -7.255 11.572 1.285 1.00 0.00 C ATOM 1127 C GLY A 73 -6.869 10.373 0.433 1.00 0.00 C ATOM 1128 O GLY A 73 -6.959 10.415 -0.796 1.00 0.00 O ATOM 0 H GLY A 73 -5.907 13.159 1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.932 11.251 2.076 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.798 12.292 0.673 1.00 0.00 H new ATOM 1132 N CYS A 74 -6.433 9.312 1.098 1.00 0.00 N ATOM 1133 CA CYS A 74 -5.961 8.109 0.435 1.00 0.00 C ATOM 1134 C CYS A 74 -7.128 7.204 0.044 1.00 0.00 C ATOM 1135 O CYS A 74 -8.248 7.677 -0.151 1.00 0.00 O ATOM 1136 CB CYS A 74 -5.006 7.358 1.369 1.00 0.00 C ATOM 1137 SG CYS A 74 -3.648 8.368 2.004 1.00 0.00 S ATOM 0 H CYS A 74 -6.397 9.263 2.116 1.00 0.00 H new ATOM 0 HA CYS A 74 -5.437 8.395 -0.477 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -5.575 6.962 2.211 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -4.590 6.503 0.835 1.00 0.00 H new ATOM 0 HG CYS A 74 -4.121 9.277 2.804 1.00 0.00 H new ATOM 1143 N LEU A 75 -6.843 5.904 -0.054 1.00 0.00 N ATOM 1144 CA LEU A 75 -7.823 4.896 -0.466 1.00 0.00 C ATOM 1145 C LEU A 75 -8.287 5.117 -1.904 1.00 0.00 C ATOM 1146 O LEU A 75 -9.201 5.894 -2.167 1.00 0.00 O ATOM 1147 CB LEU A 75 -9.033 4.848 0.482 1.00 0.00 C ATOM 1148 CG LEU A 75 -8.776 4.254 1.876 1.00 0.00 C ATOM 1149 CD1 LEU A 75 -8.043 2.924 1.769 1.00 0.00 C ATOM 1150 CD2 LEU A 75 -8.006 5.225 2.760 1.00 0.00 C ATOM 0 H LEU A 75 -5.921 5.519 0.151 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.316 3.932 -0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.412 5.862 0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.822 4.269 0.002 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.744 4.076 2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.872 2.522 2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.646 2.222 1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.086 3.075 1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.841 4.774 3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.045 5.453 2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.580 6.144 2.877 1.00 0.00 H new ATOM 1162 N TYR A 76 -7.654 4.413 -2.832 1.00 0.00 N ATOM 1163 CA TYR A 76 -7.974 4.552 -4.242 1.00 0.00 C ATOM 1164 C TYR A 76 -9.093 3.598 -4.621 1.00 0.00 C ATOM 1165 O TYR A 76 -8.850 2.447 -4.988 1.00 0.00 O ATOM 1166 CB TYR A 76 -6.741 4.284 -5.114 1.00 0.00 C ATOM 1167 CG TYR A 76 -6.910 4.694 -6.561 1.00 0.00 C ATOM 1168 CD1 TYR A 76 -7.723 5.766 -6.902 1.00 0.00 C ATOM 1169 CD2 TYR A 76 -6.246 4.025 -7.582 1.00 0.00 C ATOM 1170 CE1 TYR A 76 -7.871 6.161 -8.215 1.00 0.00 C ATOM 1171 CE2 TYR A 76 -6.391 4.413 -8.903 1.00 0.00 C ATOM 1172 CZ TYR A 76 -7.206 5.482 -9.213 1.00 0.00 C ATOM 1173 OH TYR A 76 -7.343 5.886 -10.525 1.00 0.00 O ATOM 0 H TYR A 76 -6.915 3.739 -2.631 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.302 5.577 -4.416 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.888 4.817 -4.693 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.504 3.221 -5.074 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.249 6.301 -6.125 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.606 3.189 -7.341 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.506 7.000 -8.460 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.869 3.882 -9.686 1.00 0.00 H new ATOM 0 HH TYR A 76 -6.809 5.303 -11.104 1.00 0.00 H new ATOM 1183 N ASN A 77 -10.317 4.071 -4.489 1.00 0.00 N ATOM 1184 CA ASN A 77 -11.476 3.302 -4.897 1.00 0.00 C ATOM 1185 C ASN A 77 -12.375 4.164 -5.772 1.00 0.00 C ATOM 1186 O ASN A 77 -12.761 5.268 -5.387 1.00 0.00 O ATOM 1187 CB ASN A 77 -12.239 2.753 -3.678 1.00 0.00 C ATOM 1188 CG ASN A 77 -12.816 3.831 -2.778 1.00 0.00 C ATOM 1189 OD1 ASN A 77 -13.969 4.234 -2.933 1.00 0.00 O ATOM 1190 ND2 ASN A 77 -12.021 4.304 -1.828 1.00 0.00 N ATOM 0 H ASN A 77 -10.535 4.989 -4.100 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.143 2.441 -5.477 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -13.049 2.112 -4.027 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -11.566 2.126 -3.093 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.359 5.028 -1.194 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.071 3.944 -1.732 1.00 0.00 H new