USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 517 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 Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.751 K(o=0.75,f=-1.6!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 174:sc= -0.57 (180deg=-0.673) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -156:sc= -0.0135 (180deg=-0.277) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 46:sc= 1.19 USER MOD Single : A 87 LYS NZ :NH3+ 163:sc= 1.69 (180deg=1.26) USER MOD Single : A 91 LYS NZ :NH3+ 135:sc= 0.2 (180deg=0) USER MOD Single : A 94 TYR OH : rot 107:sc= 0.0197 USER MOD ----------------------------------------------------------------- ATOM 101 N LEU A 38 -8.147 6.302 -4.419 1.00 0.00 N ATOM 102 CA LEU A 38 -7.000 6.989 -3.819 1.00 0.00 C ATOM 103 C LEU A 38 -6.748 6.681 -2.329 1.00 0.00 C ATOM 104 O LEU A 38 -5.763 7.178 -1.793 1.00 0.00 O ATOM 105 CB LEU A 38 -7.071 8.505 -4.113 1.00 0.00 C ATOM 106 CG LEU A 38 -8.331 9.286 -3.680 1.00 0.00 C ATOM 107 CD1 LEU A 38 -8.656 9.196 -2.188 1.00 0.00 C ATOM 108 CD2 LEU A 38 -8.121 10.768 -4.009 1.00 0.00 C ATOM 0 HA LEU A 38 -6.117 6.575 -4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.211 8.975 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.952 8.639 -5.188 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.163 8.834 -4.220 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.555 9.774 -1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.821 8.154 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.823 9.596 -1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.002 11.336 -3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.249 11.140 -3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.962 10.884 -5.081 1.00 0.00 H new ATOM 120 N ILE A 39 -7.557 5.845 -1.669 1.00 0.00 N ATOM 121 CA ILE A 39 -7.360 5.335 -0.294 1.00 0.00 C ATOM 122 C ILE A 39 -5.905 4.950 0.013 1.00 0.00 C ATOM 123 O ILE A 39 -5.369 5.331 1.052 1.00 0.00 O ATOM 124 CB ILE A 39 -8.349 4.169 -0.042 1.00 0.00 C ATOM 125 CG1 ILE A 39 -9.709 4.750 0.404 1.00 0.00 C ATOM 126 CG2 ILE A 39 -7.875 3.140 1.007 1.00 0.00 C ATOM 127 CD1 ILE A 39 -10.873 3.840 0.011 1.00 0.00 C ATOM 0 H ILE A 39 -8.411 5.484 -2.094 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.576 6.145 0.403 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.425 3.628 -0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.707 4.891 1.485 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.849 5.733 -0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.629 2.361 1.119 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.936 2.693 0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.725 3.639 1.964 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.811 4.285 0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.892 3.720 -1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.747 2.865 0.482 1.00 0.00 H new ATOM 139 N VAL A 40 -5.243 4.242 -0.911 1.00 0.00 N ATOM 140 CA VAL A 40 -3.822 3.838 -0.810 1.00 0.00 C ATOM 141 C VAL A 40 -2.853 5.025 -0.650 1.00 0.00 C ATOM 142 O VAL A 40 -1.769 4.855 -0.105 1.00 0.00 O ATOM 143 CB VAL A 40 -3.387 2.957 -2.007 1.00 0.00 C ATOM 144 CG1 VAL A 40 -4.121 1.612 -2.013 1.00 0.00 C ATOM 145 CG2 VAL A 40 -3.598 3.635 -3.372 1.00 0.00 C ATOM 0 H VAL A 40 -5.685 3.923 -1.773 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.760 3.249 0.105 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.318 2.800 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.790 1.021 -2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.901 1.073 -1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.195 1.784 -2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.273 2.963 -4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.655 3.867 -3.503 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.016 4.556 -3.415 1.00 0.00 H new ATOM 155 N MET A 41 -3.252 6.232 -1.062 1.00 0.00 N ATOM 156 CA MET A 41 -2.521 7.495 -0.931 1.00 0.00 C ATOM 157 C MET A 41 -3.200 8.468 0.064 1.00 0.00 C ATOM 158 O MET A 41 -2.677 9.560 0.277 1.00 0.00 O ATOM 159 CB MET A 41 -2.348 8.089 -2.342 1.00 0.00 C ATOM 160 CG MET A 41 -1.270 9.180 -2.416 1.00 0.00 C ATOM 161 SD MET A 41 -0.920 9.733 -4.107 1.00 0.00 S ATOM 162 CE MET A 41 0.425 10.902 -3.768 1.00 0.00 C ATOM 0 H MET A 41 -4.152 6.361 -1.525 1.00 0.00 H new ATOM 0 HA MET A 41 -1.537 7.314 -0.498 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.093 7.289 -3.036 1.00 0.00 H new ATOM 0 HB3 MET A 41 -3.300 8.506 -2.672 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.588 10.036 -1.820 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.351 8.803 -1.967 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.768 11.343 -4.704 1.00 0.00 H new ATOM 0 HE2 MET A 41 0.064 11.690 -3.106 1.00 0.00 H new ATOM 0 HE3 MET A 41 1.252 10.377 -3.290 1.00 0.00 H new ATOM 172 N ARG A 42 -4.287 8.055 0.740 1.00 0.00 N ATOM 173 CA ARG A 42 -4.903 8.792 1.850 1.00 0.00 C ATOM 174 C ARG A 42 -4.477 8.230 3.208 1.00 0.00 C ATOM 175 O ARG A 42 -4.236 9.016 4.120 1.00 0.00 O ATOM 176 CB ARG A 42 -6.444 8.807 1.720 1.00 0.00 C ATOM 177 CG ARG A 42 -7.061 10.004 2.471 1.00 0.00 C ATOM 178 CD ARG A 42 -8.595 9.963 2.585 1.00 0.00 C ATOM 179 NE ARG A 42 -9.052 9.277 3.818 1.00 0.00 N ATOM 180 CZ ARG A 42 -10.304 8.951 4.129 1.00 0.00 C ATOM 181 NH1 ARG A 42 -11.308 9.088 3.294 1.00 0.00 N ATOM 182 NH2 ARG A 42 -10.544 8.340 5.267 1.00 0.00 N ATOM 0 H ARG A 42 -4.769 7.182 0.523 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.546 9.820 1.794 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.721 8.854 0.667 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.853 7.877 2.116 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.636 10.046 3.474 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.771 10.924 1.963 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.985 10.981 2.573 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.008 9.453 1.715 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.333 9.030 4.497 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.146 9.459 2.358 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.250 8.823 3.581 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.775 8.121 5.900 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.499 8.085 5.517 1.00 0.00 H new ATOM 196 N VAL A 43 -4.431 6.903 3.382 1.00 0.00 N ATOM 197 CA VAL A 43 -4.202 6.286 4.714 1.00 0.00 C ATOM 198 C VAL A 43 -2.720 6.301 5.103 1.00 0.00 C ATOM 199 O VAL A 43 -2.322 6.978 6.052 1.00 0.00 O ATOM 200 CB VAL A 43 -4.854 4.877 4.836 1.00 0.00 C ATOM 201 CG1 VAL A 43 -6.355 4.995 4.521 1.00 0.00 C ATOM 202 CG2 VAL A 43 -4.252 3.739 3.981 1.00 0.00 C ATOM 0 H VAL A 43 -4.548 6.229 2.625 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.714 6.909 5.447 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.648 4.576 5.863 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.822 4.014 4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.822 5.680 5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.485 5.375 3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.802 2.816 4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.324 4.000 2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.205 3.597 4.249 1.00 0.00 H new ATOM 212 N ILE A 44 -1.866 5.662 4.295 1.00 0.00 N ATOM 213 CA ILE A 44 -0.420 5.509 4.549 1.00 0.00 C ATOM 214 C ILE A 44 0.261 6.869 4.657 1.00 0.00 C ATOM 215 O ILE A 44 1.100 7.100 5.522 1.00 0.00 O ATOM 216 CB ILE A 44 0.224 4.748 3.368 1.00 0.00 C ATOM 217 CG1 ILE A 44 -0.483 3.404 3.138 1.00 0.00 C ATOM 218 CG2 ILE A 44 1.733 4.593 3.623 1.00 0.00 C ATOM 219 CD1 ILE A 44 -0.042 2.739 1.832 1.00 0.00 C ATOM 0 H ILE A 44 -2.164 5.224 3.423 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.294 4.965 5.485 1.00 0.00 H new ATOM 0 HB ILE A 44 0.101 5.318 2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.273 2.736 3.974 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.562 3.561 3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.189 4.056 2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.190 5.579 3.713 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.891 4.034 4.545 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.567 1.792 1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.276 3.394 0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.032 2.557 1.861 1.00 0.00 H new ATOM 231 N TRP A 45 -0.136 7.771 3.761 1.00 0.00 N ATOM 232 CA TRP A 45 0.406 9.118 3.621 1.00 0.00 C ATOM 233 C TRP A 45 0.397 9.913 4.933 1.00 0.00 C ATOM 234 O TRP A 45 1.264 10.748 5.171 1.00 0.00 O ATOM 235 CB TRP A 45 -0.444 9.792 2.538 1.00 0.00 C ATOM 236 CG TRP A 45 -0.162 11.237 2.339 1.00 0.00 C ATOM 237 CD1 TRP A 45 -0.689 12.228 3.088 1.00 0.00 C ATOM 238 CD2 TRP A 45 0.768 11.868 1.409 1.00 0.00 C ATOM 239 NE1 TRP A 45 -0.124 13.425 2.722 1.00 0.00 N ATOM 240 CE2 TRP A 45 0.787 13.265 1.695 1.00 0.00 C ATOM 241 CE3 TRP A 45 1.620 11.395 0.384 1.00 0.00 C ATOM 242 CZ2 TRP A 45 1.622 14.152 1.001 1.00 0.00 C ATOM 243 CZ3 TRP A 45 2.457 12.280 -0.324 1.00 0.00 C ATOM 244 CH2 TRP A 45 2.460 13.654 -0.012 1.00 0.00 C ATOM 0 H TRP A 45 -0.875 7.573 3.086 1.00 0.00 H new ATOM 0 HA TRP A 45 1.460 9.079 3.344 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.285 9.271 1.594 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -1.497 9.673 2.795 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -1.438 12.100 3.855 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -0.349 14.321 3.154 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.629 10.343 0.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 1.621 15.205 1.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.098 11.904 -1.108 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.108 14.327 -0.553 1.00 0.00 H new ATOM 255 N SER A 46 -0.588 9.646 5.791 1.00 0.00 N ATOM 256 CA SER A 46 -0.747 10.345 7.078 1.00 0.00 C ATOM 257 C SER A 46 0.231 9.807 8.132 1.00 0.00 C ATOM 258 O SER A 46 0.903 10.540 8.859 1.00 0.00 O ATOM 259 CB SER A 46 -2.203 10.177 7.518 1.00 0.00 C ATOM 260 OG SER A 46 -2.501 10.966 8.649 1.00 0.00 O ATOM 0 H SER A 46 -1.302 8.939 5.618 1.00 0.00 H new ATOM 0 HA SER A 46 -0.513 11.404 6.964 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.865 10.453 6.697 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.396 9.128 7.745 1.00 0.00 H new ATOM 0 HG SER A 46 -3.439 10.835 8.901 1.00 0.00 H new ATOM 266 N LEU A 47 0.330 8.480 8.181 1.00 0.00 N ATOM 267 CA LEU A 47 1.113 7.686 9.104 1.00 0.00 C ATOM 268 C LEU A 47 2.621 7.808 8.830 1.00 0.00 C ATOM 269 O LEU A 47 3.411 8.069 9.737 1.00 0.00 O ATOM 270 CB LEU A 47 0.550 6.258 8.902 1.00 0.00 C ATOM 271 CG LEU A 47 0.184 5.599 10.227 1.00 0.00 C ATOM 272 CD1 LEU A 47 -0.822 4.482 9.984 1.00 0.00 C ATOM 273 CD2 LEU A 47 1.484 5.105 10.836 1.00 0.00 C ATOM 0 H LEU A 47 -0.179 7.893 7.520 1.00 0.00 H new ATOM 0 HA LEU A 47 1.029 8.009 10.142 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.332 6.302 8.263 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.289 5.646 8.384 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.297 6.290 10.919 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.081 4.013 10.933 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.721 4.895 9.526 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.385 3.737 9.319 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.278 4.622 11.791 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.953 4.389 10.161 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.156 5.949 10.993 1.00 0.00 H new ATOM 285 N GLY A 48 3.000 7.678 7.558 1.00 0.00 N ATOM 286 CA GLY A 48 4.323 7.953 6.980 1.00 0.00 C ATOM 287 C GLY A 48 4.955 6.730 6.299 1.00 0.00 C ATOM 288 O GLY A 48 5.471 6.823 5.184 1.00 0.00 O ATOM 0 H GLY A 48 2.343 7.353 6.849 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.233 8.759 6.252 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.989 8.307 7.767 1.00 0.00 H new ATOM 292 N GLU A 49 4.859 5.575 6.957 1.00 0.00 N ATOM 293 CA GLU A 49 5.439 4.296 6.525 1.00 0.00 C ATOM 294 C GLU A 49 4.540 3.142 6.942 1.00 0.00 C ATOM 295 O GLU A 49 4.342 2.900 8.135 1.00 0.00 O ATOM 296 CB GLU A 49 6.789 4.028 7.204 1.00 0.00 C ATOM 297 CG GLU A 49 8.000 4.598 6.478 1.00 0.00 C ATOM 298 CD GLU A 49 9.318 4.119 7.091 1.00 0.00 C ATOM 299 OE1 GLU A 49 9.343 3.669 8.261 1.00 0.00 O ATOM 300 OE2 GLU A 49 10.336 4.203 6.368 1.00 0.00 O ATOM 0 H GLU A 49 4.356 5.498 7.841 1.00 0.00 H new ATOM 0 HA GLU A 49 5.553 4.363 5.443 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.760 4.443 8.212 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.920 2.951 7.306 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.962 4.307 5.428 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.961 5.687 6.509 1.00 0.00 H new ATOM 307 N ALA A 50 4.101 2.354 5.965 1.00 0.00 N ATOM 308 CA ALA A 50 3.284 1.166 6.200 1.00 0.00 C ATOM 309 C ALA A 50 3.967 -0.082 5.610 1.00 0.00 C ATOM 310 O ALA A 50 4.417 -0.064 4.466 1.00 0.00 O ATOM 311 CB ALA A 50 1.913 1.452 5.582 1.00 0.00 C ATOM 0 H ALA A 50 4.303 2.523 4.980 1.00 0.00 H new ATOM 0 HA ALA A 50 3.164 0.953 7.262 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.260 0.592 5.730 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.474 2.327 6.060 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.027 1.641 4.515 1.00 0.00 H new ATOM 317 N ARG A 51 4.067 -1.191 6.354 1.00 0.00 N ATOM 318 CA ARG A 51 4.496 -2.469 5.758 1.00 0.00 C ATOM 319 C ARG A 51 3.351 -3.047 4.952 1.00 0.00 C ATOM 320 O ARG A 51 2.214 -2.615 5.063 1.00 0.00 O ATOM 321 CB ARG A 51 5.102 -3.504 6.738 1.00 0.00 C ATOM 322 CG ARG A 51 4.507 -3.694 8.133 1.00 0.00 C ATOM 323 CD ARG A 51 4.769 -2.529 9.097 1.00 0.00 C ATOM 324 NE ARG A 51 4.709 -2.936 10.516 1.00 0.00 N ATOM 325 CZ ARG A 51 3.620 -3.249 11.201 1.00 0.00 C ATOM 326 NH1 ARG A 51 2.517 -3.680 10.670 1.00 0.00 N ATOM 327 NH2 ARG A 51 3.615 -3.154 12.493 1.00 0.00 N ATOM 0 H ARG A 51 3.862 -1.234 7.352 1.00 0.00 H new ATOM 0 HA ARG A 51 5.339 -2.234 5.108 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.072 -4.474 6.241 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.153 -3.246 6.869 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.431 -3.837 8.039 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.914 -4.607 8.567 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.750 -2.103 8.887 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.035 -1.743 8.918 1.00 0.00 H new ATOM 0 HE ARG A 51 5.596 -2.980 11.018 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.450 -3.797 9.659 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.718 -3.901 11.264 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.451 -2.838 12.984 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.775 -3.396 13.019 1.00 0.00 H new ATOM 341 N VAL A 52 3.632 -4.088 4.183 1.00 0.00 N ATOM 342 CA VAL A 52 2.634 -4.872 3.458 1.00 0.00 C ATOM 343 C VAL A 52 1.489 -5.421 4.301 1.00 0.00 C ATOM 344 O VAL A 52 0.343 -5.452 3.851 1.00 0.00 O ATOM 345 CB VAL A 52 3.282 -5.939 2.574 1.00 0.00 C ATOM 346 CG1 VAL A 52 4.750 -6.188 2.939 1.00 0.00 C ATOM 347 CG2 VAL A 52 2.507 -7.249 2.552 1.00 0.00 C ATOM 0 H VAL A 52 4.585 -4.423 4.040 1.00 0.00 H new ATOM 0 HA VAL A 52 2.142 -4.150 2.806 1.00 0.00 H new ATOM 0 HB VAL A 52 3.251 -5.529 1.564 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.163 -6.954 2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.316 -5.264 2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.816 -6.524 3.974 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.019 -7.964 1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.445 -7.652 3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.502 -7.071 2.170 1.00 0.00 H new ATOM 357 N ASP A 53 1.795 -5.879 5.509 1.00 0.00 N ATOM 358 CA ASP A 53 0.732 -6.257 6.473 1.00 0.00 C ATOM 359 C ASP A 53 -0.013 -5.059 7.076 1.00 0.00 C ATOM 360 O ASP A 53 -1.148 -5.203 7.517 1.00 0.00 O ATOM 361 CB ASP A 53 1.260 -7.298 7.489 1.00 0.00 C ATOM 362 CG ASP A 53 1.606 -6.733 8.880 1.00 0.00 C ATOM 363 OD1 ASP A 53 2.433 -5.793 8.902 1.00 0.00 O ATOM 364 OD2 ASP A 53 1.144 -7.281 9.913 1.00 0.00 O ATOM 0 H ASP A 53 2.747 -6.001 5.854 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.061 -6.760 5.919 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.510 -8.080 7.607 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.150 -7.770 7.073 1.00 0.00 H new ATOM 369 N GLU A 54 0.618 -3.893 7.065 1.00 0.00 N ATOM 370 CA GLU A 54 0.027 -2.634 7.532 1.00 0.00 C ATOM 371 C GLU A 54 -0.917 -1.999 6.500 1.00 0.00 C ATOM 372 O GLU A 54 -2.053 -1.653 6.784 1.00 0.00 O ATOM 373 CB GLU A 54 1.168 -1.683 7.890 1.00 0.00 C ATOM 374 CG GLU A 54 0.993 -0.979 9.239 1.00 0.00 C ATOM 375 CD GLU A 54 -0.260 -0.117 9.268 1.00 0.00 C ATOM 376 OE1 GLU A 54 -0.214 0.937 8.602 1.00 0.00 O ATOM 377 OE2 GLU A 54 -1.260 -0.526 9.911 1.00 0.00 O ATOM 0 H GLU A 54 1.574 -3.787 6.726 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.591 -2.839 8.406 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.103 -2.243 7.903 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.258 -0.929 7.108 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.940 -1.723 10.033 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.866 -0.358 9.441 1.00 0.00 H new ATOM 384 N ILE A 55 -0.480 -1.863 5.249 1.00 0.00 N ATOM 385 CA ILE A 55 -1.306 -1.305 4.162 1.00 0.00 C ATOM 386 C ILE A 55 -2.599 -2.095 3.973 1.00 0.00 C ATOM 387 O ILE A 55 -3.657 -1.491 3.827 1.00 0.00 O ATOM 388 CB ILE A 55 -0.535 -1.246 2.835 1.00 0.00 C ATOM 389 CG1 ILE A 55 -0.014 -2.639 2.470 1.00 0.00 C ATOM 390 CG2 ILE A 55 0.629 -0.265 2.943 1.00 0.00 C ATOM 391 CD1 ILE A 55 1.040 -2.649 1.386 1.00 0.00 C ATOM 0 H ILE A 55 0.457 -2.135 4.953 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.561 -0.288 4.459 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.211 -0.903 2.052 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.399 -3.105 3.365 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.854 -3.255 2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.167 -0.233 1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.247 0.729 3.177 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.306 -0.589 3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.352 -3.675 1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.629 -2.216 0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.901 -2.064 1.710 1.00 0.00 H new ATOM 403 N TYR A 56 -2.533 -3.431 4.048 1.00 0.00 N ATOM 404 CA TYR A 56 -3.716 -4.272 4.073 1.00 0.00 C ATOM 405 C TYR A 56 -4.703 -3.927 5.189 1.00 0.00 C ATOM 406 O TYR A 56 -5.918 -3.940 5.026 1.00 0.00 O ATOM 407 CB TYR A 56 -3.268 -5.708 4.247 1.00 0.00 C ATOM 408 CG TYR A 56 -4.404 -6.627 3.912 1.00 0.00 C ATOM 409 CD1 TYR A 56 -4.709 -6.812 2.560 1.00 0.00 C ATOM 410 CD2 TYR A 56 -5.131 -7.295 4.914 1.00 0.00 C ATOM 411 CE1 TYR A 56 -5.714 -7.717 2.198 1.00 0.00 C ATOM 412 CE2 TYR A 56 -6.135 -8.215 4.551 1.00 0.00 C ATOM 413 CZ TYR A 56 -6.417 -8.443 3.184 1.00 0.00 C ATOM 414 OH TYR A 56 -7.303 -9.405 2.816 1.00 0.00 O ATOM 0 H TYR A 56 -1.655 -3.949 4.093 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.244 -4.109 3.134 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -2.415 -5.915 3.601 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.939 -5.877 5.273 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.174 -6.261 1.801 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.921 -7.104 5.956 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.954 -7.861 1.155 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.687 -8.744 5.314 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.699 -9.809 3.616 1.00 0.00 H new ATOM 424 N ALA A 57 -4.133 -3.591 6.332 1.00 0.00 N ATOM 425 CA ALA A 57 -4.830 -3.211 7.548 1.00 0.00 C ATOM 426 C ALA A 57 -5.676 -1.943 7.416 1.00 0.00 C ATOM 427 O ALA A 57 -6.465 -1.667 8.321 1.00 0.00 O ATOM 428 CB ALA A 57 -3.804 -2.996 8.651 1.00 0.00 C ATOM 0 H ALA A 57 -3.119 -3.575 6.443 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.520 -4.024 7.776 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.314 -2.710 9.571 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.248 -3.919 8.816 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.114 -2.205 8.357 1.00 0.00 H new ATOM 434 N GLN A 58 -5.515 -1.154 6.343 1.00 0.00 N ATOM 435 CA GLN A 58 -6.368 -0.006 6.080 1.00 0.00 C ATOM 436 C GLN A 58 -7.319 -0.221 4.873 1.00 0.00 C ATOM 437 O GLN A 58 -7.944 0.737 4.430 1.00 0.00 O ATOM 438 CB GLN A 58 -5.474 1.238 5.954 1.00 0.00 C ATOM 439 CG GLN A 58 -5.021 1.826 7.301 1.00 0.00 C ATOM 440 CD GLN A 58 -3.521 2.000 7.410 1.00 0.00 C ATOM 441 OE1 GLN A 58 -2.974 3.082 7.224 1.00 0.00 O ATOM 442 NE2 GLN A 58 -2.830 0.936 7.741 1.00 0.00 N ATOM 0 H GLN A 58 -4.790 -1.301 5.641 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.052 0.140 6.916 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.592 0.980 5.368 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.013 2.005 5.398 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.503 2.793 7.447 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.363 1.175 8.106 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.305 0.046 7.891 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.818 0.998 7.848 1.00 0.00 H new ATOM 451 N ILE A 59 -7.439 -1.446 4.338 1.00 0.00 N ATOM 452 CA ILE A 59 -8.291 -1.801 3.182 1.00 0.00 C ATOM 453 C ILE A 59 -9.781 -1.983 3.595 1.00 0.00 C ATOM 454 O ILE A 59 -10.102 -2.932 4.320 1.00 0.00 O ATOM 455 CB ILE A 59 -7.723 -3.083 2.521 1.00 0.00 C ATOM 456 CG1 ILE A 59 -6.254 -2.929 2.077 1.00 0.00 C ATOM 457 CG2 ILE A 59 -8.523 -3.557 1.308 1.00 0.00 C ATOM 458 CD1 ILE A 59 -5.979 -2.111 0.811 1.00 0.00 C ATOM 0 H ILE A 59 -6.929 -2.248 4.708 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.274 -0.983 2.461 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.799 -3.828 3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.701 -2.474 2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.841 -3.927 1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.065 -4.458 0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.547 -3.775 1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.528 -2.776 0.548 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.906 -2.087 0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.489 -2.569 -0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.346 -1.094 0.948 1.00 0.00 H new ATOM 470 N PRO A 60 -10.717 -1.103 3.161 1.00 0.00 N ATOM 471 CA PRO A 60 -12.117 -1.123 3.601 1.00 0.00 C ATOM 472 C PRO A 60 -13.027 -2.072 2.802 1.00 0.00 C ATOM 473 O PRO A 60 -12.796 -2.375 1.629 1.00 0.00 O ATOM 474 CB PRO A 60 -12.589 0.329 3.456 1.00 0.00 C ATOM 475 CG PRO A 60 -11.823 0.818 2.232 1.00 0.00 C ATOM 476 CD PRO A 60 -10.479 0.101 2.367 1.00 0.00 C ATOM 0 HA PRO A 60 -12.178 -1.506 4.620 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.667 0.390 3.308 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.355 0.920 4.341 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.331 0.554 1.304 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.706 1.902 2.234 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.079 -0.156 1.386 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.745 0.745 2.852 1.00 0.00 H new ATOM 484 N GLN A 61 -14.125 -2.501 3.438 1.00 0.00 N ATOM 485 CA GLN A 61 -15.020 -3.552 2.904 1.00 0.00 C ATOM 486 C GLN A 61 -15.793 -3.258 1.601 1.00 0.00 C ATOM 487 O GLN A 61 -16.144 -4.225 0.922 1.00 0.00 O ATOM 488 CB GLN A 61 -15.984 -4.041 4.005 1.00 0.00 C ATOM 489 CG GLN A 61 -15.292 -4.935 5.049 1.00 0.00 C ATOM 490 CD GLN A 61 -16.141 -6.155 5.387 1.00 0.00 C ATOM 491 OE1 GLN A 61 -17.298 -6.062 5.778 1.00 0.00 O ATOM 492 NE2 GLN A 61 -15.615 -7.358 5.230 1.00 0.00 N ATOM 0 H GLN A 61 -14.424 -2.132 4.341 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.324 -4.332 2.596 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -16.424 -3.179 4.506 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -16.803 -4.594 3.545 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -14.323 -5.258 4.668 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -15.103 -4.359 5.955 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -14.653 -7.456 4.905 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -16.171 -8.188 5.434 1.00 0.00 H new ATOM 501 N GLU A 62 -16.078 -2.004 1.205 1.00 0.00 N ATOM 502 CA GLU A 62 -16.817 -1.779 -0.059 1.00 0.00 C ATOM 503 C GLU A 62 -16.119 -2.418 -1.266 1.00 0.00 C ATOM 504 O GLU A 62 -16.763 -2.736 -2.266 1.00 0.00 O ATOM 505 CB GLU A 62 -17.052 -0.265 -0.342 1.00 0.00 C ATOM 506 CG GLU A 62 -18.216 0.357 0.455 1.00 0.00 C ATOM 507 CD GLU A 62 -18.697 1.687 -0.168 1.00 0.00 C ATOM 508 OE1 GLU A 62 -18.103 2.746 0.146 1.00 0.00 O ATOM 509 OE2 GLU A 62 -19.687 1.687 -0.941 1.00 0.00 O ATOM 0 H GLU A 62 -15.822 -1.159 1.716 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.783 -2.264 0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.137 0.282 -0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.244 -0.132 -1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.047 -0.347 0.493 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.899 0.532 1.483 1.00 0.00 H new ATOM 516 N LEU A 63 -14.800 -2.533 -1.192 1.00 0.00 N ATOM 517 CA LEU A 63 -13.932 -2.862 -2.361 1.00 0.00 C ATOM 518 C LEU A 63 -13.930 -4.358 -2.654 1.00 0.00 C ATOM 519 O LEU A 63 -13.671 -4.763 -3.786 1.00 0.00 O ATOM 520 CB LEU A 63 -12.494 -2.442 -1.991 1.00 0.00 C ATOM 521 CG LEU A 63 -12.274 -1.013 -1.528 1.00 0.00 C ATOM 522 CD1 LEU A 63 -10.796 -0.814 -1.280 1.00 0.00 C ATOM 523 CD2 LEU A 63 -12.803 -0.014 -2.539 1.00 0.00 C ATOM 0 H LEU A 63 -14.280 -2.404 -0.324 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.306 -2.343 -3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.142 -3.108 -1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.860 -2.614 -2.861 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.827 -0.840 -0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.617 0.208 -0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.459 -1.511 -0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.245 -0.996 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.629 0.999 -2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.288 -0.152 -3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -13.873 -0.170 -2.679 1.00 0.00 H new ATOM 535 N GLU A 64 -14.134 -5.153 -1.603 1.00 0.00 N ATOM 536 CA GLU A 64 -13.973 -6.636 -1.585 1.00 0.00 C ATOM 537 C GLU A 64 -12.567 -7.189 -2.016 1.00 0.00 C ATOM 538 O GLU A 64 -12.416 -8.189 -2.739 1.00 0.00 O ATOM 539 CB GLU A 64 -15.064 -7.311 -2.446 1.00 0.00 C ATOM 540 CG GLU A 64 -16.513 -6.883 -2.194 1.00 0.00 C ATOM 541 CD GLU A 64 -17.494 -7.672 -3.089 1.00 0.00 C ATOM 542 OE1 GLU A 64 -17.085 -8.651 -3.771 1.00 0.00 O ATOM 543 OE2 GLU A 64 -18.661 -7.223 -3.207 1.00 0.00 O ATOM 0 H GLU A 64 -14.427 -4.783 -0.699 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.074 -6.893 -0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.833 -7.123 -3.494 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -14.998 -8.388 -2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.765 -7.043 -1.146 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -16.618 -5.816 -2.388 1.00 0.00 H new ATOM 550 N TRP A 65 -11.501 -6.504 -1.624 1.00 0.00 N ATOM 551 CA TRP A 65 -10.137 -6.786 -2.094 1.00 0.00 C ATOM 552 C TRP A 65 -9.387 -7.789 -1.223 1.00 0.00 C ATOM 553 O TRP A 65 -9.012 -7.491 -0.089 1.00 0.00 O ATOM 554 CB TRP A 65 -9.368 -5.470 -2.242 1.00 0.00 C ATOM 555 CG TRP A 65 -9.762 -4.624 -3.420 1.00 0.00 C ATOM 556 CD1 TRP A 65 -10.739 -4.862 -4.330 1.00 0.00 C ATOM 557 CD2 TRP A 65 -9.182 -3.346 -3.807 1.00 0.00 C ATOM 558 NE1 TRP A 65 -10.831 -3.806 -5.218 1.00 0.00 N ATOM 559 CE2 TRP A 65 -9.890 -2.835 -4.940 1.00 0.00 C ATOM 560 CE3 TRP A 65 -8.125 -2.568 -3.299 1.00 0.00 C ATOM 561 CZ2 TRP A 65 -9.586 -1.588 -5.512 1.00 0.00 C ATOM 562 CZ3 TRP A 65 -7.804 -1.328 -3.871 1.00 0.00 C ATOM 563 CH2 TRP A 65 -8.531 -0.831 -4.967 1.00 0.00 C ATOM 0 H TRP A 65 -11.552 -5.728 -0.964 1.00 0.00 H new ATOM 0 HA TRP A 65 -10.218 -7.269 -3.068 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.505 -4.884 -1.333 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.304 -5.696 -2.318 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -11.356 -5.748 -4.357 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -11.507 -3.752 -5.980 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -7.553 -2.930 -2.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.151 -1.217 -6.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -6.989 -0.748 -3.465 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.281 0.130 -5.391 1.00 0.00 H new ATOM 574 N SER A 66 -9.060 -8.945 -1.818 1.00 0.00 N ATOM 575 CA SER A 66 -8.123 -9.930 -1.246 1.00 0.00 C ATOM 576 C SER A 66 -6.675 -9.395 -1.092 1.00 0.00 C ATOM 577 O SER A 66 -6.256 -8.459 -1.773 1.00 0.00 O ATOM 578 CB SER A 66 -8.082 -11.180 -2.141 1.00 0.00 C ATOM 579 OG SER A 66 -9.194 -12.018 -1.910 1.00 0.00 O ATOM 0 H SER A 66 -9.442 -9.228 -2.721 1.00 0.00 H new ATOM 0 HA SER A 66 -8.495 -10.159 -0.248 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.064 -10.878 -3.188 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.162 -11.734 -1.953 1.00 0.00 H new ATOM 0 HG SER A 66 -9.140 -12.802 -2.495 1.00 0.00 H new ATOM 585 N LEU A 67 -5.850 -10.049 -0.263 1.00 0.00 N ATOM 586 CA LEU A 67 -4.421 -9.731 -0.068 1.00 0.00 C ATOM 587 C LEU A 67 -3.647 -9.638 -1.394 1.00 0.00 C ATOM 588 O LEU A 67 -2.965 -8.641 -1.640 1.00 0.00 O ATOM 589 CB LEU A 67 -3.900 -10.713 1.011 1.00 0.00 C ATOM 590 CG LEU A 67 -2.649 -10.307 1.819 1.00 0.00 C ATOM 591 CD1 LEU A 67 -1.537 -9.985 0.871 1.00 0.00 C ATOM 592 CD2 LEU A 67 -2.733 -9.036 2.659 1.00 0.00 C ATOM 0 H LEU A 67 -6.162 -10.835 0.307 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.257 -8.723 0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.710 -10.892 1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.687 -11.664 0.522 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.516 -11.163 2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.650 -9.697 1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.312 -10.861 0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.838 -9.162 0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.784 -8.875 3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.945 -8.185 2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.530 -9.139 3.396 1.00 0.00 H new ATOM 604 N ALA A 68 -3.816 -10.595 -2.312 1.00 0.00 N ATOM 605 CA ALA A 68 -3.190 -10.538 -3.634 1.00 0.00 C ATOM 606 C ALA A 68 -3.554 -9.264 -4.442 1.00 0.00 C ATOM 607 O ALA A 68 -2.735 -8.819 -5.243 1.00 0.00 O ATOM 608 CB ALA A 68 -3.553 -11.818 -4.395 1.00 0.00 C ATOM 0 H ALA A 68 -4.388 -11.426 -2.160 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.111 -10.474 -3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.096 -11.795 -5.384 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.186 -12.685 -3.845 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.636 -11.886 -4.498 1.00 0.00 H new ATOM 614 N THR A 69 -4.715 -8.641 -4.201 1.00 0.00 N ATOM 615 CA THR A 69 -5.107 -7.357 -4.801 1.00 0.00 C ATOM 616 C THR A 69 -4.249 -6.204 -4.311 1.00 0.00 C ATOM 617 O THR A 69 -3.743 -5.464 -5.150 1.00 0.00 O ATOM 618 CB THR A 69 -6.581 -6.991 -4.580 1.00 0.00 C ATOM 619 OG1 THR A 69 -7.403 -8.010 -5.094 1.00 0.00 O ATOM 620 CG2 THR A 69 -6.923 -5.682 -5.297 1.00 0.00 C ATOM 0 H THR A 69 -5.422 -9.022 -3.572 1.00 0.00 H new ATOM 0 HA THR A 69 -4.950 -7.509 -5.869 1.00 0.00 H new ATOM 0 HB THR A 69 -6.748 -6.873 -3.509 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.344 -7.775 -4.950 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.972 -5.439 -5.129 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.297 -4.879 -4.907 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.743 -5.795 -6.366 1.00 0.00 H new ATOM 628 N VAL A 70 -4.046 -5.985 -2.997 1.00 0.00 N ATOM 629 CA VAL A 70 -3.195 -4.862 -2.592 1.00 0.00 C ATOM 630 C VAL A 70 -1.781 -5.019 -3.175 1.00 0.00 C ATOM 631 O VAL A 70 -1.247 -4.112 -3.809 1.00 0.00 O ATOM 632 CB VAL A 70 -3.203 -4.635 -1.061 1.00 0.00 C ATOM 633 CG1 VAL A 70 -2.351 -5.593 -0.221 1.00 0.00 C ATOM 634 CG2 VAL A 70 -2.637 -3.243 -0.841 1.00 0.00 C ATOM 0 H VAL A 70 -4.438 -6.541 -2.237 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.617 -3.950 -3.014 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.231 -4.794 -0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.441 -5.330 0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.698 -6.615 -0.371 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.308 -5.515 -0.527 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.617 -3.023 0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.624 -3.195 -1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.263 -2.511 -1.351 1.00 0.00 H new ATOM 644 N LYS A 71 -1.242 -6.231 -3.068 1.00 0.00 N ATOM 645 CA LYS A 71 0.081 -6.653 -3.563 1.00 0.00 C ATOM 646 C LYS A 71 0.347 -6.255 -5.008 1.00 0.00 C ATOM 647 O LYS A 71 1.358 -5.616 -5.294 1.00 0.00 O ATOM 648 CB LYS A 71 0.169 -8.180 -3.426 1.00 0.00 C ATOM 649 CG LYS A 71 0.067 -8.683 -1.987 1.00 0.00 C ATOM 650 CD LYS A 71 1.459 -9.051 -1.524 1.00 0.00 C ATOM 651 CE LYS A 71 1.377 -9.429 -0.046 1.00 0.00 C ATOM 652 NZ LYS A 71 2.663 -9.949 0.484 1.00 0.00 N ATOM 0 H LYS A 71 -1.739 -6.994 -2.608 1.00 0.00 H new ATOM 0 HA LYS A 71 0.838 -6.145 -2.966 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.628 -8.634 -4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.113 -8.519 -3.852 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.358 -7.913 -1.343 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.595 -9.547 -1.931 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.848 -9.884 -2.110 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.142 -8.214 -1.666 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.077 -8.555 0.532 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.601 -10.183 0.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.582 -10.094 1.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.888 -10.854 0.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.421 -9.264 0.290 1.00 0.00 H new ATOM 666 N THR A 72 -0.573 -6.599 -5.903 1.00 0.00 N ATOM 667 CA THR A 72 -0.455 -6.211 -7.322 1.00 0.00 C ATOM 668 C THR A 72 -0.591 -4.699 -7.529 1.00 0.00 C ATOM 669 O THR A 72 0.168 -4.109 -8.297 1.00 0.00 O ATOM 670 CB THR A 72 -1.408 -7.010 -8.225 1.00 0.00 C ATOM 671 OG1 THR A 72 -1.196 -6.689 -9.582 1.00 0.00 O ATOM 672 CG2 THR A 72 -2.885 -6.787 -7.923 1.00 0.00 C ATOM 0 H THR A 72 -1.407 -7.142 -5.682 1.00 0.00 H new ATOM 0 HA THR A 72 0.558 -6.473 -7.629 1.00 0.00 H new ATOM 0 HB THR A 72 -1.176 -8.055 -8.019 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.811 -7.209 -10.141 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.490 -7.386 -8.603 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.095 -7.082 -6.895 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.128 -5.733 -8.054 1.00 0.00 H new ATOM 680 N LEU A 73 -1.500 -4.039 -6.805 1.00 0.00 N ATOM 681 CA LEU A 73 -1.877 -2.656 -7.023 1.00 0.00 C ATOM 682 C LEU A 73 -0.720 -1.720 -6.652 1.00 0.00 C ATOM 683 O LEU A 73 -0.380 -0.820 -7.423 1.00 0.00 O ATOM 684 CB LEU A 73 -3.135 -2.466 -6.164 1.00 0.00 C ATOM 685 CG LEU A 73 -4.051 -1.304 -6.520 1.00 0.00 C ATOM 686 CD1 LEU A 73 -5.096 -1.213 -5.423 1.00 0.00 C ATOM 687 CD2 LEU A 73 -3.302 0.005 -6.596 1.00 0.00 C ATOM 0 H LEU A 73 -2.003 -4.473 -6.031 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.090 -2.415 -8.065 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.720 -3.385 -6.213 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.821 -2.343 -5.127 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.494 -1.481 -7.500 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.778 -0.390 -5.637 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.657 -2.146 -5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.605 -1.037 -4.466 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.995 0.806 -6.853 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.843 0.218 -5.631 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.527 -0.063 -7.360 1.00 0.00 H new ATOM 699 N LEU A 74 -0.019 -1.991 -5.542 1.00 0.00 N ATOM 700 CA LEU A 74 1.183 -1.235 -5.175 1.00 0.00 C ATOM 701 C LEU A 74 2.173 -1.167 -6.309 1.00 0.00 C ATOM 702 O LEU A 74 2.597 -0.086 -6.691 1.00 0.00 O ATOM 703 CB LEU A 74 1.917 -1.915 -4.027 1.00 0.00 C ATOM 704 CG LEU A 74 1.131 -1.955 -2.732 1.00 0.00 C ATOM 705 CD1 LEU A 74 2.034 -2.614 -1.708 1.00 0.00 C ATOM 706 CD2 LEU A 74 0.675 -0.556 -2.342 1.00 0.00 C ATOM 0 H LEU A 74 -0.266 -2.729 -4.883 1.00 0.00 H new ATOM 0 HA LEU A 74 0.836 -0.238 -4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.165 -2.935 -4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.859 -1.395 -3.853 1.00 0.00 H new ATOM 0 HG LEU A 74 0.210 -2.532 -2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.517 -2.670 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.290 -3.620 -2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.945 -2.027 -1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.112 -0.603 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.545 0.086 -2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.040 -0.148 -3.129 1.00 0.00 H new ATOM 718 N GLY A 75 2.437 -2.332 -6.880 1.00 0.00 N ATOM 719 CA GLY A 75 3.317 -2.528 -8.038 1.00 0.00 C ATOM 720 C GLY A 75 2.946 -1.647 -9.237 1.00 0.00 C ATOM 721 O GLY A 75 3.800 -1.294 -10.046 1.00 0.00 O ATOM 0 H GLY A 75 2.032 -3.205 -6.542 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.345 -2.316 -7.744 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.281 -3.575 -8.340 1.00 0.00 H new ATOM 725 N ARG A 76 1.672 -1.256 -9.339 1.00 0.00 N ATOM 726 CA ARG A 76 1.177 -0.294 -10.333 1.00 0.00 C ATOM 727 C ARG A 76 1.525 1.130 -9.890 1.00 0.00 C ATOM 728 O ARG A 76 2.066 1.892 -10.694 1.00 0.00 O ATOM 729 CB ARG A 76 -0.343 -0.452 -10.547 1.00 0.00 C ATOM 730 CG ARG A 76 -0.848 -1.897 -10.775 1.00 0.00 C ATOM 731 CD ARG A 76 -0.504 -2.480 -12.154 1.00 0.00 C ATOM 732 NE ARG A 76 -1.026 -3.861 -12.329 1.00 0.00 N ATOM 733 CZ ARG A 76 -1.464 -4.391 -13.462 1.00 0.00 C ATOM 734 NH1 ARG A 76 -1.669 -3.664 -14.523 1.00 0.00 N ATOM 735 NH2 ARG A 76 -1.847 -5.628 -13.546 1.00 0.00 N ATOM 0 H ARG A 76 0.940 -1.606 -8.721 1.00 0.00 H new ATOM 0 HA ARG A 76 1.663 -0.493 -11.288 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.857 -0.041 -9.678 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.634 0.153 -11.405 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.425 -2.542 -10.005 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.930 -1.915 -10.646 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.917 -1.837 -12.931 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.578 -2.484 -12.285 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.049 -4.456 -11.501 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.492 -2.660 -14.495 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.007 -4.099 -15.382 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.817 -6.228 -12.722 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.178 -6.000 -14.436 1.00 0.00 H new ATOM 749 N LEU A 77 1.248 1.479 -8.617 1.00 0.00 N ATOM 750 CA LEU A 77 1.561 2.813 -8.074 1.00 0.00 C ATOM 751 C LEU A 77 3.039 3.164 -8.219 1.00 0.00 C ATOM 752 O LEU A 77 3.392 4.245 -8.693 1.00 0.00 O ATOM 753 CB LEU A 77 1.243 2.892 -6.567 1.00 0.00 C ATOM 754 CG LEU A 77 -0.077 2.290 -6.110 1.00 0.00 C ATOM 755 CD1 LEU A 77 -0.199 2.492 -4.613 1.00 0.00 C ATOM 756 CD2 LEU A 77 -1.219 2.877 -6.910 1.00 0.00 C ATOM 0 H LEU A 77 0.806 0.851 -7.945 1.00 0.00 H new ATOM 0 HA LEU A 77 0.948 3.509 -8.647 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.048 2.397 -6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.258 3.941 -6.272 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.115 1.217 -6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.140 2.067 -4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.632 1.997 -4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.176 3.558 -4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.160 2.440 -6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.248 3.957 -6.764 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.073 2.658 -7.968 1.00 0.00 H new ATOM 768 N VAL A 78 3.876 2.238 -7.752 1.00 0.00 N ATOM 769 CA VAL A 78 5.330 2.480 -7.646 1.00 0.00 C ATOM 770 C VAL A 78 5.981 2.631 -9.034 1.00 0.00 C ATOM 771 O VAL A 78 6.766 3.548 -9.251 1.00 0.00 O ATOM 772 CB VAL A 78 6.089 1.570 -6.629 1.00 0.00 C ATOM 773 CG1 VAL A 78 5.228 0.761 -5.637 1.00 0.00 C ATOM 774 CG2 VAL A 78 7.065 0.558 -7.231 1.00 0.00 C ATOM 0 H VAL A 78 3.581 1.313 -7.440 1.00 0.00 H new ATOM 0 HA VAL A 78 5.443 3.451 -7.164 1.00 0.00 H new ATOM 0 HB VAL A 78 6.622 2.362 -6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.877 0.172 -4.988 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.632 1.444 -5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.566 0.094 -6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.532 -0.017 -6.431 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.525 -0.117 -7.895 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.834 1.085 -7.796 1.00 0.00 H new ATOM 784 N LYS A 79 5.563 1.836 -10.035 1.00 0.00 N ATOM 785 CA LYS A 79 5.918 1.988 -11.463 1.00 0.00 C ATOM 786 C LYS A 79 5.433 3.260 -12.151 1.00 0.00 C ATOM 787 O LYS A 79 5.882 3.547 -13.259 1.00 0.00 O ATOM 788 CB LYS A 79 5.538 0.717 -12.245 1.00 0.00 C ATOM 789 CG LYS A 79 6.446 -0.480 -11.919 1.00 0.00 C ATOM 790 CD LYS A 79 7.948 -0.164 -11.966 1.00 0.00 C ATOM 791 CE LYS A 79 8.331 0.421 -13.331 1.00 0.00 C ATOM 792 NZ LYS A 79 9.767 0.784 -13.401 1.00 0.00 N ATOM 0 H LYS A 79 4.946 1.041 -9.869 1.00 0.00 H new ATOM 0 HA LYS A 79 7.001 2.115 -11.472 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.504 0.454 -12.021 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.589 0.925 -13.314 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.196 -0.851 -10.925 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.234 -1.285 -12.623 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.202 0.543 -11.176 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.523 -1.071 -11.778 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.103 -0.304 -14.112 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.724 1.305 -13.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.981 1.175 -14.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.981 1.495 -12.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.348 -0.063 -13.238 1.00 0.00 H new ATOM 806 N LYS A 80 4.527 3.993 -11.512 1.00 0.00 N ATOM 807 CA LYS A 80 3.996 5.295 -11.956 1.00 0.00 C ATOM 808 C LYS A 80 4.533 6.502 -11.151 1.00 0.00 C ATOM 809 O LYS A 80 4.085 7.610 -11.409 1.00 0.00 O ATOM 810 CB LYS A 80 2.446 5.259 -11.989 1.00 0.00 C ATOM 811 CG LYS A 80 1.849 5.051 -13.396 1.00 0.00 C ATOM 812 CD LYS A 80 1.888 3.595 -13.894 1.00 0.00 C ATOM 813 CE LYS A 80 1.462 3.444 -15.369 1.00 0.00 C ATOM 814 NZ LYS A 80 0.090 3.944 -15.656 1.00 0.00 N ATOM 0 H LYS A 80 4.118 3.689 -10.628 1.00 0.00 H new ATOM 0 HA LYS A 80 4.366 5.454 -12.969 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.098 4.458 -11.337 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.063 6.193 -11.578 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.814 5.394 -13.393 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.390 5.679 -14.104 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.898 3.204 -13.773 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.233 2.987 -13.270 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.172 3.980 -15.999 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.520 2.392 -15.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.125 3.809 -16.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.599 3.417 -15.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.033 4.956 -15.422 1.00 0.00 H new ATOM 828 N GLU A 81 5.488 6.317 -10.229 1.00 0.00 N ATOM 829 CA GLU A 81 6.055 7.379 -9.359 1.00 0.00 C ATOM 830 C GLU A 81 5.055 8.006 -8.359 1.00 0.00 C ATOM 831 O GLU A 81 5.301 9.093 -7.828 1.00 0.00 O ATOM 832 CB GLU A 81 6.805 8.467 -10.171 1.00 0.00 C ATOM 833 CG GLU A 81 7.874 7.946 -11.146 1.00 0.00 C ATOM 834 CD GLU A 81 8.646 9.114 -11.789 1.00 0.00 C ATOM 835 OE1 GLU A 81 8.007 9.928 -12.510 1.00 0.00 O ATOM 836 OE2 GLU A 81 9.885 9.199 -11.587 1.00 0.00 O ATOM 0 H GLU A 81 5.905 5.402 -10.056 1.00 0.00 H new ATOM 0 HA GLU A 81 6.783 6.855 -8.740 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.073 9.043 -10.736 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.280 9.155 -9.471 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.568 7.293 -10.616 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.402 7.345 -11.923 1.00 0.00 H new ATOM 843 N MET A 82 3.930 7.334 -8.054 1.00 0.00 N ATOM 844 CA MET A 82 3.001 7.804 -7.030 1.00 0.00 C ATOM 845 C MET A 82 3.613 7.567 -5.650 1.00 0.00 C ATOM 846 O MET A 82 3.673 8.471 -4.823 1.00 0.00 O ATOM 847 CB MET A 82 1.667 7.043 -7.139 1.00 0.00 C ATOM 848 CG MET A 82 0.987 7.162 -8.507 1.00 0.00 C ATOM 849 SD MET A 82 0.562 8.837 -9.064 1.00 0.00 S ATOM 850 CE MET A 82 -0.534 9.382 -7.726 1.00 0.00 C ATOM 0 H MET A 82 3.649 6.464 -8.507 1.00 0.00 H new ATOM 0 HA MET A 82 2.814 8.868 -7.174 1.00 0.00 H new ATOM 0 HB2 MET A 82 1.844 5.989 -6.924 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.986 7.415 -6.373 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.642 6.711 -9.253 1.00 0.00 H new ATOM 0 HG3 MET A 82 0.073 6.569 -8.485 1.00 0.00 H new ATOM 0 HE1 MET A 82 -1.196 10.166 -8.094 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.130 8.538 -7.377 1.00 0.00 H new ATOM 0 HE3 MET A 82 0.064 9.770 -6.901 1.00 0.00 H new ATOM 860 N LEU A 83 4.074 6.332 -5.425 1.00 0.00 N ATOM 861 CA LEU A 83 4.652 5.841 -4.173 1.00 0.00 C ATOM 862 C LEU A 83 6.011 5.189 -4.421 1.00 0.00 C ATOM 863 O LEU A 83 6.353 4.865 -5.557 1.00 0.00 O ATOM 864 CB LEU A 83 3.727 4.794 -3.502 1.00 0.00 C ATOM 865 CG LEU A 83 2.250 5.144 -3.263 1.00 0.00 C ATOM 866 CD1 LEU A 83 1.669 4.249 -2.166 1.00 0.00 C ATOM 867 CD2 LEU A 83 2.057 6.590 -2.845 1.00 0.00 C ATOM 0 H LEU A 83 4.052 5.613 -6.148 1.00 0.00 H new ATOM 0 HA LEU A 83 4.767 6.703 -3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.756 3.891 -4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.165 4.540 -2.537 1.00 0.00 H new ATOM 0 HG LEU A 83 1.735 4.985 -4.211 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.622 4.505 -2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.745 3.205 -2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.226 4.399 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.996 6.785 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.600 6.777 -1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.436 7.248 -3.627 1.00 0.00 H new ATOM 879 N SER A 84 6.718 4.889 -3.336 1.00 0.00 N ATOM 880 CA SER A 84 7.931 4.057 -3.354 1.00 0.00 C ATOM 881 C SER A 84 7.966 3.042 -2.213 1.00 0.00 C ATOM 882 O SER A 84 7.135 3.019 -1.303 1.00 0.00 O ATOM 883 CB SER A 84 9.219 4.882 -3.300 1.00 0.00 C ATOM 884 OG SER A 84 9.385 5.617 -4.495 1.00 0.00 O ATOM 0 H SER A 84 6.467 5.218 -2.404 1.00 0.00 H new ATOM 0 HA SER A 84 7.883 3.529 -4.307 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.187 5.562 -2.449 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.074 4.223 -3.149 1.00 0.00 H new ATOM 0 HG SER A 84 10.212 6.141 -4.445 1.00 0.00 H new ATOM 890 N THR A 85 8.953 2.156 -2.269 1.00 0.00 N ATOM 891 CA THR A 85 9.108 1.087 -1.289 1.00 0.00 C ATOM 892 C THR A 85 10.554 0.631 -1.184 1.00 0.00 C ATOM 893 O THR A 85 11.302 0.642 -2.165 1.00 0.00 O ATOM 894 CB THR A 85 8.186 -0.071 -1.683 1.00 0.00 C ATOM 895 OG1 THR A 85 8.330 -1.179 -0.826 1.00 0.00 O ATOM 896 CG2 THR A 85 8.393 -0.534 -3.124 1.00 0.00 C ATOM 0 H THR A 85 9.669 2.158 -2.995 1.00 0.00 H new ATOM 0 HA THR A 85 8.829 1.458 -0.303 1.00 0.00 H new ATOM 0 HB THR A 85 7.177 0.330 -1.590 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.337 -0.874 0.105 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.712 -1.356 -3.344 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.194 0.294 -3.804 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.421 -0.871 -3.254 1.00 0.00 H new ATOM 904 N GLU A 86 10.930 0.222 0.027 1.00 0.00 N ATOM 905 CA GLU A 86 12.230 -0.377 0.371 1.00 0.00 C ATOM 906 C GLU A 86 11.998 -1.594 1.300 1.00 0.00 C ATOM 907 O GLU A 86 10.855 -1.939 1.606 1.00 0.00 O ATOM 908 CB GLU A 86 13.174 0.679 0.999 1.00 0.00 C ATOM 909 CG GLU A 86 13.664 1.794 0.048 1.00 0.00 C ATOM 910 CD GLU A 86 14.900 1.420 -0.799 1.00 0.00 C ATOM 911 OE1 GLU A 86 14.731 0.766 -1.877 1.00 0.00 O ATOM 912 OE2 GLU A 86 16.026 1.814 -0.456 1.00 0.00 O ATOM 0 H GLU A 86 10.313 0.300 0.835 1.00 0.00 H new ATOM 0 HA GLU A 86 12.726 -0.731 -0.533 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.659 1.145 1.839 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.045 0.164 1.404 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.849 2.065 -0.623 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.899 2.680 0.638 1.00 0.00 H new ATOM 919 N LYS A 87 13.060 -2.264 1.758 1.00 0.00 N ATOM 920 CA LYS A 87 12.987 -3.568 2.446 1.00 0.00 C ATOM 921 C LYS A 87 13.394 -3.422 3.910 1.00 0.00 C ATOM 922 O LYS A 87 14.550 -3.156 4.204 1.00 0.00 O ATOM 923 CB LYS A 87 13.856 -4.565 1.661 1.00 0.00 C ATOM 924 CG LYS A 87 13.396 -6.025 1.783 1.00 0.00 C ATOM 925 CD LYS A 87 14.356 -6.887 2.599 1.00 0.00 C ATOM 926 CE LYS A 87 14.438 -6.533 4.081 1.00 0.00 C ATOM 927 NZ LYS A 87 13.229 -6.971 4.815 1.00 0.00 N ATOM 0 H LYS A 87 14.013 -1.914 1.662 1.00 0.00 H new ATOM 0 HA LYS A 87 11.967 -3.951 2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.856 -4.281 0.609 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.885 -4.489 2.011 1.00 0.00 H new ATOM 0 HG2 LYS A 87 12.410 -6.052 2.246 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.292 -6.452 0.785 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.053 -7.930 2.506 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.353 -6.805 2.165 1.00 0.00 H new ATOM 0 HE2 LYS A 87 15.320 -7.001 4.519 1.00 0.00 H new ATOM 0 HE3 LYS A 87 14.561 -5.456 4.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.428 -6.982 5.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.448 -6.312 4.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.961 -7.927 4.504 1.00 0.00 H new ATOM 941 N GLU A 88 12.471 -3.675 4.839 1.00 0.00 N ATOM 942 CA GLU A 88 12.674 -3.510 6.300 1.00 0.00 C ATOM 943 C GLU A 88 12.141 -4.699 7.123 1.00 0.00 C ATOM 944 O GLU A 88 11.268 -5.432 6.658 1.00 0.00 O ATOM 945 CB GLU A 88 12.019 -2.194 6.773 1.00 0.00 C ATOM 946 CG GLU A 88 13.062 -1.112 7.098 1.00 0.00 C ATOM 947 CD GLU A 88 13.933 -1.441 8.328 1.00 0.00 C ATOM 948 OE1 GLU A 88 13.613 -2.392 9.082 1.00 0.00 O ATOM 949 OE2 GLU A 88 14.961 -0.749 8.524 1.00 0.00 O ATOM 0 H GLU A 88 11.536 -4.008 4.603 1.00 0.00 H new ATOM 0 HA GLU A 88 13.750 -3.474 6.471 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.345 -1.826 5.999 1.00 0.00 H new ATOM 0 HB3 GLU A 88 11.412 -2.389 7.657 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.709 -0.972 6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.549 -0.165 7.269 1.00 0.00 H new ATOM 956 N GLY A 89 12.690 -4.929 8.322 1.00 0.00 N ATOM 957 CA GLY A 89 12.463 -6.137 9.131 1.00 0.00 C ATOM 958 C GLY A 89 12.344 -7.402 8.272 1.00 0.00 C ATOM 959 O GLY A 89 13.225 -7.689 7.458 1.00 0.00 O ATOM 0 H GLY A 89 13.321 -4.264 8.770 1.00 0.00 H new ATOM 0 HA2 GLY A 89 13.284 -6.257 9.838 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.553 -6.012 9.718 1.00 0.00 H new ATOM 963 N ARG A 90 11.208 -8.107 8.361 1.00 0.00 N ATOM 964 CA ARG A 90 10.900 -9.318 7.573 1.00 0.00 C ATOM 965 C ARG A 90 9.930 -9.074 6.386 1.00 0.00 C ATOM 966 O ARG A 90 9.222 -9.991 5.971 1.00 0.00 O ATOM 967 CB ARG A 90 10.437 -10.407 8.567 1.00 0.00 C ATOM 968 CG ARG A 90 10.761 -11.848 8.122 1.00 0.00 C ATOM 969 CD ARG A 90 10.492 -12.877 9.239 1.00 0.00 C ATOM 970 NE ARG A 90 9.078 -12.856 9.657 1.00 0.00 N ATOM 971 CZ ARG A 90 8.160 -13.784 9.471 1.00 0.00 C ATOM 972 NH1 ARG A 90 8.439 -15.029 9.195 1.00 0.00 N ATOM 973 NH2 ARG A 90 6.911 -13.448 9.544 1.00 0.00 N ATOM 0 H ARG A 90 10.455 -7.848 8.999 1.00 0.00 H new ATOM 0 HA ARG A 90 11.797 -9.659 7.057 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.905 -10.223 9.534 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.360 -10.317 8.712 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.162 -12.099 7.247 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.807 -11.907 7.820 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.755 -13.875 8.888 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.130 -12.662 10.096 1.00 0.00 H new ATOM 0 HE ARG A 90 8.772 -12.019 10.152 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.411 -15.328 9.113 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.685 -15.703 9.061 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.654 -12.481 9.742 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.185 -14.150 9.403 1.00 0.00 H new ATOM 987 N LYS A 91 9.855 -7.837 5.867 1.00 0.00 N ATOM 988 CA LYS A 91 8.888 -7.324 4.876 1.00 0.00 C ATOM 989 C LYS A 91 9.413 -6.153 4.027 1.00 0.00 C ATOM 990 O LYS A 91 10.578 -5.751 4.066 1.00 0.00 O ATOM 991 CB LYS A 91 7.588 -6.903 5.624 1.00 0.00 C ATOM 992 CG LYS A 91 6.672 -8.034 6.130 1.00 0.00 C ATOM 993 CD LYS A 91 6.242 -8.971 4.998 1.00 0.00 C ATOM 994 CE LYS A 91 5.450 -10.209 5.433 1.00 0.00 C ATOM 995 NZ LYS A 91 6.348 -11.349 5.717 1.00 0.00 N ATOM 0 H LYS A 91 10.517 -7.114 6.149 1.00 0.00 H new ATOM 0 HA LYS A 91 8.697 -8.131 4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.873 -6.290 6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.005 -6.268 4.957 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.193 -8.607 6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.788 -7.602 6.599 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.637 -8.404 4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.133 -9.300 4.464 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.864 -9.975 6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.744 -10.486 4.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.057 -11.807 6.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.293 -12.036 4.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.326 -11.006 5.808 1.00 0.00 H new ATOM 1009 N PHE A 92 8.547 -5.696 3.128 1.00 0.00 N ATOM 1010 CA PHE A 92 8.671 -4.417 2.440 1.00 0.00 C ATOM 1011 C PHE A 92 8.003 -3.352 3.309 1.00 0.00 C ATOM 1012 O PHE A 92 6.993 -3.630 3.968 1.00 0.00 O ATOM 1013 CB PHE A 92 7.908 -4.445 1.119 1.00 0.00 C ATOM 1014 CG PHE A 92 8.708 -5.088 0.031 1.00 0.00 C ATOM 1015 CD1 PHE A 92 9.692 -4.336 -0.625 1.00 0.00 C ATOM 1016 CD2 PHE A 92 8.504 -6.439 -0.282 1.00 0.00 C ATOM 1017 CE1 PHE A 92 10.482 -4.934 -1.614 1.00 0.00 C ATOM 1018 CE2 PHE A 92 9.301 -7.042 -1.271 1.00 0.00 C ATOM 1019 CZ PHE A 92 10.288 -6.289 -1.941 1.00 0.00 C ATOM 0 H PHE A 92 7.717 -6.220 2.851 1.00 0.00 H new ATOM 0 HA PHE A 92 9.726 -4.212 2.260 1.00 0.00 H new ATOM 0 HB2 PHE A 92 6.972 -4.987 1.251 1.00 0.00 H new ATOM 0 HB3 PHE A 92 7.649 -3.427 0.827 1.00 0.00 H new ATOM 0 HD1 PHE A 92 9.840 -3.298 -0.368 1.00 0.00 H new ATOM 0 HD2 PHE A 92 7.744 -7.010 0.230 1.00 0.00 H new ATOM 0 HE1 PHE A 92 11.239 -4.357 -2.125 1.00 0.00 H new ATOM 0 HE2 PHE A 92 9.157 -8.083 -1.518 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.895 -6.752 -2.705 1.00 0.00 H new ATOM 1029 N VAL A 93 8.506 -2.127 3.228 1.00 0.00 N ATOM 1030 CA VAL A 93 7.856 -0.933 3.760 1.00 0.00 C ATOM 1031 C VAL A 93 7.558 -0.024 2.578 1.00 0.00 C ATOM 1032 O VAL A 93 8.346 0.072 1.629 1.00 0.00 O ATOM 1033 CB VAL A 93 8.691 -0.256 4.860 1.00 0.00 C ATOM 1034 CG1 VAL A 93 9.909 0.499 4.312 1.00 0.00 C ATOM 1035 CG2 VAL A 93 7.808 0.686 5.683 1.00 0.00 C ATOM 0 H VAL A 93 9.400 -1.930 2.779 1.00 0.00 H new ATOM 0 HA VAL A 93 6.924 -1.192 4.262 1.00 0.00 H new ATOM 0 HB VAL A 93 9.079 -1.051 5.497 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.456 0.954 5.137 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.561 -0.197 3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 93 9.576 1.277 3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 93 8.408 1.161 6.460 1.00 0.00 H new ATOM 0 HG22 VAL A 93 7.386 1.451 5.031 1.00 0.00 H new ATOM 0 HG23 VAL A 93 7.001 0.117 6.145 1.00 0.00 H new ATOM 1045 N TYR A 94 6.392 0.603 2.630 1.00 0.00 N ATOM 1046 CA TYR A 94 5.795 1.405 1.579 1.00 0.00 C ATOM 1047 C TYR A 94 5.593 2.827 2.114 1.00 0.00 C ATOM 1048 O TYR A 94 4.930 3.041 3.134 1.00 0.00 O ATOM 1049 CB TYR A 94 4.484 0.726 1.148 1.00 0.00 C ATOM 1050 CG TYR A 94 4.684 -0.638 0.505 1.00 0.00 C ATOM 1051 CD1 TYR A 94 4.966 -0.703 -0.872 1.00 0.00 C ATOM 1052 CD2 TYR A 94 4.630 -1.830 1.262 1.00 0.00 C ATOM 1053 CE1 TYR A 94 5.241 -1.939 -1.491 1.00 0.00 C ATOM 1054 CE2 TYR A 94 4.839 -3.066 0.629 1.00 0.00 C ATOM 1055 CZ TYR A 94 5.174 -3.129 -0.736 1.00 0.00 C ATOM 1056 OH TYR A 94 5.404 -4.339 -1.317 1.00 0.00 O ATOM 0 H TYR A 94 5.802 0.561 3.461 1.00 0.00 H new ATOM 0 HA TYR A 94 6.431 1.479 0.697 1.00 0.00 H new ATOM 0 HB2 TYR A 94 3.839 0.616 2.020 1.00 0.00 H new ATOM 0 HB3 TYR A 94 3.962 1.376 0.445 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.972 0.203 -1.460 1.00 0.00 H new ATOM 0 HD2 TYR A 94 4.429 -1.791 2.322 1.00 0.00 H new ATOM 0 HE1 TYR A 94 5.502 -1.975 -2.538 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.741 -3.979 1.197 1.00 0.00 H new ATOM 0 HH TYR A 94 6.275 -4.681 -1.027 1.00 0.00 H new ATOM 1066 N ARG A 95 6.252 3.771 1.439 1.00 0.00 N ATOM 1067 CA ARG A 95 6.315 5.213 1.780 1.00 0.00 C ATOM 1068 C ARG A 95 6.392 6.160 0.560 1.00 0.00 C ATOM 1069 O ARG A 95 6.645 5.706 -0.554 1.00 0.00 O ATOM 1070 CB ARG A 95 7.562 5.440 2.671 1.00 0.00 C ATOM 1071 CG ARG A 95 8.866 4.826 2.124 1.00 0.00 C ATOM 1072 CD ARG A 95 10.109 5.663 2.438 1.00 0.00 C ATOM 1073 NE ARG A 95 10.476 5.715 3.869 1.00 0.00 N ATOM 1074 CZ ARG A 95 11.406 6.510 4.378 1.00 0.00 C ATOM 1075 NH1 ARG A 95 11.918 7.513 3.721 1.00 0.00 N ATOM 1076 NH2 ARG A 95 11.800 6.355 5.602 1.00 0.00 N ATOM 0 H ARG A 95 6.785 3.551 0.598 1.00 0.00 H new ATOM 0 HA ARG A 95 5.383 5.458 2.289 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.708 6.512 2.801 1.00 0.00 H new ATOM 0 HB3 ARG A 95 7.367 5.023 3.659 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.993 3.828 2.544 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.779 4.709 1.044 1.00 0.00 H new ATOM 0 HD2 ARG A 95 10.952 5.261 1.876 1.00 0.00 H new ATOM 0 HD3 ARG A 95 9.944 6.680 2.082 1.00 0.00 H new ATOM 0 HE ARG A 95 9.979 5.096 4.509 1.00 0.00 H new ATOM 0 HH11 ARG A 95 11.604 7.714 2.771 1.00 0.00 H new ATOM 0 HH12 ARG A 95 12.632 8.097 4.157 1.00 0.00 H new ATOM 0 HH21 ARG A 95 11.394 5.618 6.179 1.00 0.00 H new ATOM 0 HH22 ARG A 95 12.516 6.970 5.989 1.00 0.00 H new ATOM 1090 N PRO A 96 6.184 7.483 0.735 1.00 0.00 N ATOM 1091 CA PRO A 96 6.518 8.492 -0.275 1.00 0.00 C ATOM 1092 C PRO A 96 8.049 8.624 -0.432 1.00 0.00 C ATOM 1093 O PRO A 96 8.818 7.925 0.233 1.00 0.00 O ATOM 1094 CB PRO A 96 5.833 9.788 0.199 1.00 0.00 C ATOM 1095 CG PRO A 96 5.831 9.634 1.721 1.00 0.00 C ATOM 1096 CD PRO A 96 5.603 8.137 1.907 1.00 0.00 C ATOM 0 HA PRO A 96 6.163 8.227 -1.271 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.383 10.675 -0.117 1.00 0.00 H new ATOM 0 HB3 PRO A 96 4.823 9.880 -0.199 1.00 0.00 H new ATOM 0 HG2 PRO A 96 6.774 9.958 2.162 1.00 0.00 H new ATOM 0 HG3 PRO A 96 5.042 10.225 2.187 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.075 7.783 2.823 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.539 7.913 1.989 1.00 0.00 H new