USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 850 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 29 TYR OH : rot 147:sc= -0.964! USER MOD Set 1.2: A 97 THR OG1 : rot 46:sc= 0.743 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -151:sc= -0.0629 (180deg=-0.527) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.415 K(o=-0.42,f=-6.2!) USER MOD Single : A 39 ASN : amide:sc= -0.129 K(o=-0.13,f=-0.71!) USER MOD Single : A 40 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.394) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -94:sc= 0.514 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot -120:sc= -0.0939 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 89:sc= 0.429 USER MOD Single : A 72 SER OG : rot 180:sc= -0.069 USER MOD Single : A 74 ASN : amide:sc= -0.221 K(o=-0.22,f=-3.3!) USER MOD Single : A 76 LYS NZ :NH3+ -152:sc= 1.03 (180deg=0.501) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.547 K(o=-0.55,f=-1.9) USER MOD Single : A 81 THR OG1 : rot 73:sc= 0.648 USER MOD Single : A 83 CYS SG : rot 180:sc= -1.35 USER MOD Single : A 87 CYS SG : rot 92:sc= 0.23 USER MOD Single : A 89 HIS : no HD1:sc= -1.65 K(o=-1.7,f=-2.6) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.79) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0.447 K(o=0.45,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 102 N ARG A 9 2.757 7.029 -4.237 1.00 12.24 N ATOM 103 CA ARG A 9 3.792 8.024 -4.489 1.00 11.51 C ATOM 104 C ARG A 9 4.717 7.574 -5.616 1.00 30.34 C ATOM 105 O ARG A 9 4.452 6.580 -6.290 1.00 3.12 O ATOM 106 CB ARG A 9 4.605 8.279 -3.218 1.00 1.20 C ATOM 107 CG ARG A 9 4.703 9.750 -2.842 1.00 65.54 C ATOM 108 CD ARG A 9 3.745 10.101 -1.716 1.00 3.22 C ATOM 109 NE ARG A 9 3.257 11.473 -1.822 1.00 14.51 N ATOM 110 CZ ARG A 9 3.983 12.539 -1.504 1.00 35.01 C ATOM 111 NH1 ARG A 9 5.224 12.392 -1.062 1.00 13.11 N ATOM 112 NH2 ARG A 9 3.468 13.756 -1.628 1.00 21.45 N ATOM 0 HA ARG A 9 3.304 8.950 -4.792 1.00 11.51 H new ATOM 0 HB2 ARG A 9 4.153 7.731 -2.392 1.00 1.20 H new ATOM 0 HB3 ARG A 9 5.610 7.880 -3.353 1.00 1.20 H new ATOM 0 HG2 ARG A 9 5.724 9.982 -2.538 1.00 65.54 H new ATOM 0 HG3 ARG A 9 4.482 10.365 -3.714 1.00 65.54 H new ATOM 0 HD2 ARG A 9 2.900 9.413 -1.731 1.00 3.22 H new ATOM 0 HD3 ARG A 9 4.247 9.968 -0.758 1.00 3.22 H new ATOM 0 HE ARG A 9 2.306 11.621 -2.159 1.00 14.51 H new ATOM 0 HH11 ARG A 9 5.624 11.459 -0.965 1.00 13.11 H new ATOM 0 HH12 ARG A 9 5.779 13.212 -0.819 1.00 13.11 H new ATOM 0 HH21 ARG A 9 2.514 13.874 -1.968 1.00 21.45 H new ATOM 0 HH22 ARG A 9 4.027 14.574 -1.383 1.00 21.45 H new ATOM 126 N GLY A 10 5.804 8.313 -5.813 1.00 3.12 N ATOM 127 CA GLY A 10 6.752 7.974 -6.859 1.00 1.22 C ATOM 128 C GLY A 10 7.834 7.028 -6.377 1.00 34.14 C ATOM 129 O GLY A 10 7.847 5.851 -6.741 1.00 14.22 O ATOM 0 H GLY A 10 6.045 9.140 -5.267 1.00 3.12 H new ATOM 0 HA2 GLY A 10 6.220 7.517 -7.693 1.00 1.22 H new ATOM 0 HA3 GLY A 10 7.213 8.887 -7.237 1.00 1.22 H new ATOM 133 N LYS A 11 8.744 7.541 -5.557 1.00 60.11 N ATOM 134 CA LYS A 11 9.835 6.734 -5.025 1.00 4.32 C ATOM 135 C LYS A 11 9.301 5.600 -4.155 1.00 71.55 C ATOM 136 O LYS A 11 9.891 4.522 -4.091 1.00 2.12 O ATOM 137 CB LYS A 11 10.792 7.607 -4.209 1.00 42.20 C ATOM 138 CG LYS A 11 12.256 7.258 -4.410 1.00 63.51 C ATOM 139 CD LYS A 11 13.062 7.478 -3.141 1.00 72.44 C ATOM 140 CE LYS A 11 13.947 6.280 -2.829 1.00 10.53 C ATOM 141 NZ LYS A 11 15.322 6.695 -2.435 1.00 22.01 N ATOM 0 H LYS A 11 8.748 8.512 -5.246 1.00 60.11 H new ATOM 0 HA LYS A 11 10.375 6.300 -5.867 1.00 4.32 H new ATOM 0 HB2 LYS A 11 10.636 8.652 -4.478 1.00 42.20 H new ATOM 0 HB3 LYS A 11 10.546 7.510 -3.152 1.00 42.20 H new ATOM 0 HG2 LYS A 11 12.343 6.217 -4.721 1.00 63.51 H new ATOM 0 HG3 LYS A 11 12.669 7.867 -5.214 1.00 63.51 H new ATOM 0 HD2 LYS A 11 13.680 8.369 -3.251 1.00 72.44 H new ATOM 0 HD3 LYS A 11 12.386 7.660 -2.306 1.00 72.44 H new ATOM 0 HE2 LYS A 11 13.499 5.697 -2.024 1.00 10.53 H new ATOM 0 HE3 LYS A 11 14.000 5.630 -3.702 1.00 10.53 H new ATOM 0 HZ1 LYS A 11 15.894 5.851 -2.231 1.00 22.01 H new ATOM 0 HZ2 LYS A 11 15.759 7.230 -3.212 1.00 22.01 H new ATOM 0 HZ3 LYS A 11 15.274 7.295 -1.587 1.00 22.01 H new ATOM 155 N LYS A 12 8.177 5.850 -3.491 1.00 3.00 N ATOM 156 CA LYS A 12 7.560 4.849 -2.628 1.00 3.53 C ATOM 157 C LYS A 12 6.936 3.729 -3.454 1.00 71.04 C ATOM 158 O LYS A 12 7.033 2.555 -3.098 1.00 52.13 O ATOM 159 CB LYS A 12 6.495 5.498 -1.742 1.00 14.30 C ATOM 160 CG LYS A 12 7.064 6.200 -0.521 1.00 13.31 C ATOM 161 CD LYS A 12 7.339 7.669 -0.800 1.00 24.34 C ATOM 162 CE LYS A 12 8.139 8.308 0.325 1.00 51.44 C ATOM 163 NZ LYS A 12 9.118 9.307 -0.189 1.00 71.25 N ATOM 0 H LYS A 12 7.675 6.737 -3.534 1.00 3.00 H new ATOM 0 HA LYS A 12 8.338 4.420 -1.996 1.00 3.53 H new ATOM 0 HB2 LYS A 12 5.931 6.218 -2.335 1.00 14.30 H new ATOM 0 HB3 LYS A 12 5.791 4.733 -1.415 1.00 14.30 H new ATOM 0 HG2 LYS A 12 6.364 6.111 0.310 1.00 13.31 H new ATOM 0 HG3 LYS A 12 7.987 5.708 -0.214 1.00 13.31 H new ATOM 0 HD2 LYS A 12 7.886 7.766 -1.738 1.00 24.34 H new ATOM 0 HD3 LYS A 12 6.395 8.200 -0.924 1.00 24.34 H new ATOM 0 HE2 LYS A 12 7.458 8.793 1.025 1.00 51.44 H new ATOM 0 HE3 LYS A 12 8.668 7.533 0.880 1.00 51.44 H new ATOM 0 HZ1 LYS A 12 9.643 9.720 0.608 1.00 71.25 H new ATOM 0 HZ2 LYS A 12 9.783 8.839 -0.837 1.00 71.25 H new ATOM 0 HZ3 LYS A 12 8.611 10.060 -0.697 1.00 71.25 H new ATOM 177 N ALA A 13 6.297 4.100 -4.559 1.00 23.31 N ATOM 178 CA ALA A 13 5.662 3.126 -5.437 1.00 34.51 C ATOM 179 C ALA A 13 6.616 1.987 -5.776 1.00 24.31 C ATOM 180 O ALA A 13 6.218 0.822 -5.822 1.00 11.23 O ATOM 181 CB ALA A 13 5.171 3.802 -6.708 1.00 50.10 C ATOM 0 H ALA A 13 6.206 5.068 -4.867 1.00 23.31 H new ATOM 0 HA ALA A 13 4.807 2.703 -4.910 1.00 34.51 H new ATOM 0 HB1 ALA A 13 4.699 3.062 -7.354 1.00 50.10 H new ATOM 0 HB2 ALA A 13 4.447 4.575 -6.452 1.00 50.10 H new ATOM 0 HB3 ALA A 13 6.015 4.253 -7.229 1.00 50.10 H new ATOM 187 N ASP A 14 7.878 2.329 -6.014 1.00 30.32 N ATOM 188 CA ASP A 14 8.890 1.334 -6.349 1.00 52.13 C ATOM 189 C ASP A 14 9.016 0.293 -5.241 1.00 74.21 C ATOM 190 O ASP A 14 8.847 -0.903 -5.479 1.00 53.52 O ATOM 191 CB ASP A 14 10.242 2.010 -6.586 1.00 75.24 C ATOM 192 CG ASP A 14 11.019 1.368 -7.719 1.00 12.14 C ATOM 193 OD1 ASP A 14 11.060 0.122 -7.777 1.00 40.05 O ATOM 194 OD2 ASP A 14 11.587 2.113 -8.545 1.00 61.03 O ATOM 0 H ASP A 14 8.224 3.288 -5.981 1.00 30.32 H new ATOM 0 HA ASP A 14 8.579 0.830 -7.264 1.00 52.13 H new ATOM 0 HB2 ASP A 14 10.083 3.065 -6.810 1.00 75.24 H new ATOM 0 HB3 ASP A 14 10.833 1.964 -5.672 1.00 75.24 H new ATOM 199 N GLU A 15 9.315 0.756 -4.031 1.00 70.54 N ATOM 200 CA GLU A 15 9.465 -0.137 -2.888 1.00 72.13 C ATOM 201 C GLU A 15 8.210 -0.982 -2.689 1.00 70.41 C ATOM 202 O GLU A 15 8.288 -2.147 -2.297 1.00 12.41 O ATOM 203 CB GLU A 15 9.758 0.667 -1.620 1.00 12.13 C ATOM 204 CG GLU A 15 11.211 1.094 -1.492 1.00 21.21 C ATOM 205 CD GLU A 15 11.442 2.034 -0.324 1.00 55.13 C ATOM 206 OE1 GLU A 15 10.450 2.565 0.216 1.00 72.12 O ATOM 207 OE2 GLU A 15 12.616 2.238 0.048 1.00 71.21 O ATOM 0 H GLU A 15 9.458 1.743 -3.817 1.00 70.54 H new ATOM 0 HA GLU A 15 10.303 -0.804 -3.088 1.00 72.13 H new ATOM 0 HB2 GLU A 15 9.125 1.554 -1.608 1.00 12.13 H new ATOM 0 HB3 GLU A 15 9.486 0.069 -0.750 1.00 12.13 H new ATOM 0 HG2 GLU A 15 11.836 0.210 -1.371 1.00 21.21 H new ATOM 0 HG3 GLU A 15 11.525 1.583 -2.414 1.00 21.21 H new ATOM 214 N LEU A 16 7.055 -0.388 -2.962 1.00 54.12 N ATOM 215 CA LEU A 16 5.782 -1.084 -2.813 1.00 34.10 C ATOM 216 C LEU A 16 5.641 -2.190 -3.855 1.00 12.23 C ATOM 217 O LEU A 16 5.315 -3.330 -3.524 1.00 3.22 O ATOM 218 CB LEU A 16 4.619 -0.097 -2.940 1.00 23.33 C ATOM 219 CG LEU A 16 3.231 -0.651 -2.617 1.00 54.50 C ATOM 220 CD1 LEU A 16 2.688 -1.449 -3.791 1.00 73.23 C ATOM 221 CD2 LEU A 16 3.278 -1.509 -1.361 1.00 33.03 C ATOM 0 H LEU A 16 6.973 0.575 -3.288 1.00 54.12 H new ATOM 0 HA LEU A 16 5.758 -1.538 -1.822 1.00 34.10 H new ATOM 0 HB2 LEU A 16 4.813 0.749 -2.281 1.00 23.33 H new ATOM 0 HB3 LEU A 16 4.606 0.289 -3.959 1.00 23.33 H new ATOM 0 HG LEU A 16 2.560 0.188 -2.434 1.00 54.50 H new ATOM 0 HD11 LEU A 16 1.700 -1.835 -3.542 1.00 73.23 H new ATOM 0 HD12 LEU A 16 2.616 -0.804 -4.667 1.00 73.23 H new ATOM 0 HD13 LEU A 16 3.359 -2.281 -4.007 1.00 73.23 H new ATOM 0 HD21 LEU A 16 2.281 -1.895 -1.146 1.00 33.03 H new ATOM 0 HD22 LEU A 16 3.964 -2.342 -1.515 1.00 33.03 H new ATOM 0 HD23 LEU A 16 3.622 -0.906 -0.521 1.00 33.03 H new ATOM 233 N GLU A 17 5.889 -1.845 -5.115 1.00 12.32 N ATOM 234 CA GLU A 17 5.791 -2.809 -6.203 1.00 62.23 C ATOM 235 C GLU A 17 6.988 -3.755 -6.203 1.00 42.53 C ATOM 236 O GLU A 17 7.040 -4.709 -6.978 1.00 34.20 O ATOM 237 CB GLU A 17 5.700 -2.084 -7.549 1.00 73.51 C ATOM 238 CG GLU A 17 5.434 -3.012 -8.723 1.00 30.13 C ATOM 239 CD GLU A 17 4.821 -2.293 -9.907 1.00 41.13 C ATOM 240 OE1 GLU A 17 5.416 -1.296 -10.369 1.00 22.21 O ATOM 241 OE2 GLU A 17 3.746 -2.726 -10.373 1.00 43.34 O ATOM 0 H GLU A 17 6.159 -0.906 -5.406 1.00 12.32 H new ATOM 0 HA GLU A 17 4.886 -3.397 -6.052 1.00 62.23 H new ATOM 0 HB2 GLU A 17 4.906 -1.339 -7.498 1.00 73.51 H new ATOM 0 HB3 GLU A 17 6.631 -1.546 -7.726 1.00 73.51 H new ATOM 0 HG2 GLU A 17 6.369 -3.479 -9.031 1.00 30.13 H new ATOM 0 HG3 GLU A 17 4.767 -3.813 -8.404 1.00 30.13 H new ATOM 248 N ARG A 18 7.951 -3.481 -5.327 1.00 50.33 N ATOM 249 CA ARG A 18 9.149 -4.305 -5.227 1.00 22.32 C ATOM 250 C ARG A 18 8.899 -5.520 -4.338 1.00 22.13 C ATOM 251 O ARG A 18 9.226 -6.648 -4.707 1.00 13.14 O ATOM 252 CB ARG A 18 10.313 -3.483 -4.670 1.00 30.21 C ATOM 253 CG ARG A 18 11.615 -4.262 -4.572 1.00 2.30 C ATOM 254 CD ARG A 18 12.458 -4.098 -5.828 1.00 4.24 C ATOM 255 NE ARG A 18 13.142 -5.336 -6.192 1.00 25.44 N ATOM 256 CZ ARG A 18 14.080 -5.408 -7.130 1.00 62.41 C ATOM 257 NH1 ARG A 18 14.443 -4.320 -7.795 1.00 31.14 N ATOM 258 NH2 ARG A 18 14.657 -6.572 -7.404 1.00 53.31 N ATOM 0 H ARG A 18 7.924 -2.695 -4.677 1.00 50.33 H new ATOM 0 HA ARG A 18 9.405 -4.654 -6.227 1.00 22.32 H new ATOM 0 HB2 ARG A 18 10.468 -2.611 -5.305 1.00 30.21 H new ATOM 0 HB3 ARG A 18 10.045 -3.113 -3.680 1.00 30.21 H new ATOM 0 HG2 ARG A 18 12.181 -3.920 -3.705 1.00 2.30 H new ATOM 0 HG3 ARG A 18 11.397 -5.318 -4.414 1.00 2.30 H new ATOM 0 HD2 ARG A 18 11.821 -3.779 -6.653 1.00 4.24 H new ATOM 0 HD3 ARG A 18 13.194 -3.310 -5.670 1.00 4.24 H new ATOM 0 HE ARG A 18 12.886 -6.192 -5.699 1.00 25.44 H new ATOM 0 HH11 ARG A 18 14.002 -3.424 -7.587 1.00 31.14 H new ATOM 0 HH12 ARG A 18 15.164 -4.379 -8.515 1.00 31.14 H new ATOM 0 HH21 ARG A 18 14.380 -7.411 -6.894 1.00 53.31 H new ATOM 0 HH22 ARG A 18 15.377 -6.627 -8.124 1.00 53.31 H new ATOM 272 N ILE A 19 8.320 -5.281 -3.166 1.00 1.03 N ATOM 273 CA ILE A 19 8.027 -6.355 -2.226 1.00 61.31 C ATOM 274 C ILE A 19 7.157 -7.428 -2.871 1.00 73.01 C ATOM 275 O ILE A 19 6.200 -7.121 -3.582 1.00 11.41 O ATOM 276 CB ILE A 19 7.317 -5.823 -0.966 1.00 63.45 C ATOM 277 CG1 ILE A 19 8.176 -4.760 -0.281 1.00 43.24 C ATOM 278 CG2 ILE A 19 7.012 -6.964 -0.008 1.00 64.52 C ATOM 279 CD1 ILE A 19 7.369 -3.680 0.406 1.00 51.24 C ATOM 0 H ILE A 19 8.045 -4.353 -2.845 1.00 1.03 H new ATOM 0 HA ILE A 19 8.983 -6.791 -1.937 1.00 61.31 H new ATOM 0 HB ILE A 19 6.374 -5.364 -1.265 1.00 63.45 H new ATOM 0 HG12 ILE A 19 8.820 -5.243 0.453 1.00 43.24 H new ATOM 0 HG13 ILE A 19 8.828 -4.299 -1.022 1.00 43.24 H new ATOM 0 HG21 ILE A 19 6.511 -6.572 0.877 1.00 64.52 H new ATOM 0 HG22 ILE A 19 6.364 -7.689 -0.501 1.00 64.52 H new ATOM 0 HG23 ILE A 19 7.942 -7.450 0.287 1.00 64.52 H new ATOM 0 HD11 ILE A 19 8.044 -2.961 0.870 1.00 51.24 H new ATOM 0 HD12 ILE A 19 6.744 -3.170 -0.328 1.00 51.24 H new ATOM 0 HD13 ILE A 19 6.736 -4.130 1.171 1.00 51.24 H new ATOM 291 N ARG A 20 7.494 -8.688 -2.617 1.00 41.24 N ATOM 292 CA ARG A 20 6.744 -9.807 -3.173 1.00 31.01 C ATOM 293 C ARG A 20 5.575 -10.181 -2.266 1.00 73.35 C ATOM 294 O ARG A 20 5.625 -9.976 -1.053 1.00 73.43 O ATOM 295 CB ARG A 20 7.659 -11.018 -3.367 1.00 43.31 C ATOM 296 CG ARG A 20 8.363 -11.039 -4.714 1.00 72.10 C ATOM 297 CD ARG A 20 9.047 -12.374 -4.964 1.00 23.10 C ATOM 298 NE ARG A 20 10.234 -12.545 -4.129 1.00 61.44 N ATOM 299 CZ ARG A 20 11.135 -13.503 -4.321 1.00 73.42 C ATOM 300 NH1 ARG A 20 10.985 -14.370 -5.313 1.00 11.10 N ATOM 301 NH2 ARG A 20 12.188 -13.594 -3.519 1.00 63.52 N ATOM 0 H ARG A 20 8.282 -8.959 -2.029 1.00 41.24 H new ATOM 0 HA ARG A 20 6.349 -9.501 -4.141 1.00 31.01 H new ATOM 0 HB2 ARG A 20 8.408 -11.028 -2.575 1.00 43.31 H new ATOM 0 HB3 ARG A 20 7.070 -11.929 -3.260 1.00 43.31 H new ATOM 0 HG2 ARG A 20 7.640 -10.845 -5.507 1.00 72.10 H new ATOM 0 HG3 ARG A 20 9.101 -10.238 -4.753 1.00 72.10 H new ATOM 0 HD2 ARG A 20 8.345 -13.184 -4.766 1.00 23.10 H new ATOM 0 HD3 ARG A 20 9.329 -12.446 -6.014 1.00 23.10 H new ATOM 0 HE ARG A 20 10.379 -11.894 -3.357 1.00 61.44 H new ATOM 0 HH11 ARG A 20 10.176 -14.303 -5.931 1.00 11.10 H new ATOM 0 HH12 ARG A 20 11.678 -15.104 -5.458 1.00 11.10 H new ATOM 0 HH21 ARG A 20 12.306 -12.929 -2.755 1.00 63.52 H new ATOM 0 HH22 ARG A 20 12.879 -14.329 -3.666 1.00 63.52 H new ATOM 315 N LEU A 21 4.522 -10.730 -2.864 1.00 2.24 N ATOM 316 CA LEU A 21 3.339 -11.132 -2.111 1.00 4.04 C ATOM 317 C LEU A 21 3.585 -12.443 -1.371 1.00 34.32 C ATOM 318 O LEU A 21 2.990 -12.696 -0.323 1.00 10.54 O ATOM 319 CB LEU A 21 2.140 -11.279 -3.048 1.00 73.23 C ATOM 320 CG LEU A 21 1.575 -9.981 -3.626 1.00 21.14 C ATOM 321 CD1 LEU A 21 0.648 -10.275 -4.795 1.00 5.52 C ATOM 322 CD2 LEU A 21 0.843 -9.193 -2.548 1.00 22.23 C ATOM 0 H LEU A 21 4.464 -10.907 -3.867 1.00 2.24 H new ATOM 0 HA LEU A 21 3.125 -10.356 -1.376 1.00 4.04 H new ATOM 0 HB2 LEU A 21 2.429 -11.926 -3.876 1.00 73.23 H new ATOM 0 HB3 LEU A 21 1.343 -11.790 -2.508 1.00 73.23 H new ATOM 0 HG LEU A 21 2.405 -9.377 -3.991 1.00 21.14 H new ATOM 0 HD11 LEU A 21 0.256 -9.339 -5.193 1.00 5.52 H new ATOM 0 HD12 LEU A 21 1.201 -10.798 -5.575 1.00 5.52 H new ATOM 0 HD13 LEU A 21 -0.178 -10.899 -4.456 1.00 5.52 H new ATOM 0 HD21 LEU A 21 0.447 -8.272 -2.976 1.00 22.23 H new ATOM 0 HD22 LEU A 21 0.022 -9.792 -2.154 1.00 22.23 H new ATOM 0 HD23 LEU A 21 1.535 -8.950 -1.742 1.00 22.23 H new ATOM 334 N ARG A 22 4.465 -13.272 -1.922 1.00 60.42 N ATOM 335 CA ARG A 22 4.789 -14.556 -1.314 1.00 23.20 C ATOM 336 C ARG A 22 6.300 -14.768 -1.264 1.00 74.45 C ATOM 337 O ARG A 22 7.064 -14.138 -1.996 1.00 24.22 O ATOM 338 CB ARG A 22 4.130 -15.696 -2.093 1.00 14.43 C ATOM 339 CG ARG A 22 2.775 -16.107 -1.540 1.00 13.13 C ATOM 340 CD ARG A 22 1.664 -15.863 -2.550 1.00 34.44 C ATOM 341 NE ARG A 22 0.454 -15.342 -1.918 1.00 64.13 N ATOM 342 CZ ARG A 22 -0.310 -16.053 -1.095 1.00 44.53 C ATOM 343 NH1 ARG A 22 0.009 -17.306 -0.806 1.00 2.02 N ATOM 344 NH2 ARG A 22 -1.395 -15.508 -0.560 1.00 62.14 N ATOM 0 H ARG A 22 4.966 -13.077 -2.789 1.00 60.42 H new ATOM 0 HA ARG A 22 4.405 -14.553 -0.294 1.00 23.20 H new ATOM 0 HB2 ARG A 22 4.012 -15.393 -3.133 1.00 14.43 H new ATOM 0 HB3 ARG A 22 4.793 -16.561 -2.086 1.00 14.43 H new ATOM 0 HG2 ARG A 22 2.796 -17.163 -1.269 1.00 13.13 H new ATOM 0 HG3 ARG A 22 2.568 -15.548 -0.628 1.00 13.13 H new ATOM 0 HD2 ARG A 22 2.010 -15.158 -3.306 1.00 34.44 H new ATOM 0 HD3 ARG A 22 1.431 -16.795 -3.065 1.00 34.44 H new ATOM 0 HE ARG A 22 0.181 -14.380 -2.119 1.00 64.13 H new ATOM 0 HH11 ARG A 22 0.843 -17.727 -1.215 1.00 2.02 H new ATOM 0 HH12 ARG A 22 -0.579 -17.849 -0.174 1.00 2.02 H new ATOM 0 HH21 ARG A 22 -1.643 -14.543 -0.780 1.00 62.14 H new ATOM 0 HH22 ARG A 22 -1.981 -16.054 0.072 1.00 62.14 H new ATOM 358 N PRO A 23 6.742 -15.676 -0.381 1.00 31.53 N ATOM 359 CA PRO A 23 8.163 -15.992 -0.215 1.00 1.23 C ATOM 360 C PRO A 23 8.736 -16.737 -1.415 1.00 71.14 C ATOM 361 O PRO A 23 9.906 -16.575 -1.760 1.00 13.34 O ATOM 362 CB PRO A 23 8.185 -16.884 1.029 1.00 23.11 C ATOM 363 CG PRO A 23 6.828 -17.497 1.079 1.00 2.45 C ATOM 364 CD PRO A 23 5.887 -16.464 0.523 1.00 30.24 C ATOM 0 HA PRO A 23 8.772 -15.093 -0.123 1.00 1.23 H new ATOM 0 HB2 PRO A 23 8.961 -17.646 0.956 1.00 23.11 H new ATOM 0 HB3 PRO A 23 8.391 -16.304 1.929 1.00 23.11 H new ATOM 0 HG2 PRO A 23 6.792 -18.414 0.491 1.00 2.45 H new ATOM 0 HG3 PRO A 23 6.557 -17.762 2.101 1.00 2.45 H new ATOM 0 HD2 PRO A 23 5.055 -16.924 -0.010 1.00 30.24 H new ATOM 0 HD3 PRO A 23 5.458 -15.845 1.311 1.00 30.24 H new ATOM 372 N GLY A 24 7.902 -17.556 -2.051 1.00 65.12 N ATOM 373 CA GLY A 24 8.344 -18.314 -3.207 1.00 45.31 C ATOM 374 C GLY A 24 7.840 -17.729 -4.511 1.00 72.21 C ATOM 375 O GLY A 24 8.555 -17.717 -5.512 1.00 74.23 O ATOM 0 H GLY A 24 6.929 -17.707 -1.786 1.00 65.12 H new ATOM 0 HA2 GLY A 24 9.433 -18.344 -3.223 1.00 45.31 H new ATOM 0 HA3 GLY A 24 7.998 -19.344 -3.116 1.00 45.31 H new ATOM 379 N GLY A 25 6.602 -17.244 -4.501 1.00 13.40 N ATOM 380 CA GLY A 25 6.022 -16.663 -5.697 1.00 64.34 C ATOM 381 C GLY A 25 6.850 -15.517 -6.245 1.00 53.13 C ATOM 382 O GLY A 25 7.918 -15.204 -5.719 1.00 23.34 O ATOM 0 H GLY A 25 5.990 -17.243 -3.685 1.00 13.40 H new ATOM 0 HA2 GLY A 25 5.924 -17.434 -6.461 1.00 64.34 H new ATOM 0 HA3 GLY A 25 5.017 -16.306 -5.473 1.00 64.34 H new ATOM 386 N LYS A 26 6.357 -14.888 -7.307 1.00 63.43 N ATOM 387 CA LYS A 26 7.059 -13.771 -7.929 1.00 35.23 C ATOM 388 C LYS A 26 6.118 -12.588 -8.137 1.00 53.32 C ATOM 389 O LYS A 26 6.418 -11.671 -8.901 1.00 42.40 O ATOM 390 CB LYS A 26 7.660 -14.200 -9.269 1.00 33.51 C ATOM 391 CG LYS A 26 8.545 -15.431 -9.172 1.00 1.24 C ATOM 392 CD LYS A 26 7.779 -16.697 -9.517 1.00 62.12 C ATOM 393 CE LYS A 26 7.545 -16.816 -11.015 1.00 42.22 C ATOM 394 NZ LYS A 26 8.577 -17.664 -11.673 1.00 32.43 N ATOM 0 H LYS A 26 5.474 -15.133 -7.755 1.00 63.43 H new ATOM 0 HA LYS A 26 7.863 -13.462 -7.261 1.00 35.23 H new ATOM 0 HB2 LYS A 26 6.852 -14.398 -9.973 1.00 33.51 H new ATOM 0 HB3 LYS A 26 8.243 -13.375 -9.677 1.00 33.51 H new ATOM 0 HG2 LYS A 26 9.395 -15.324 -9.846 1.00 1.24 H new ATOM 0 HG3 LYS A 26 8.948 -15.512 -8.162 1.00 1.24 H new ATOM 0 HD2 LYS A 26 8.333 -17.567 -9.164 1.00 62.12 H new ATOM 0 HD3 LYS A 26 6.821 -16.697 -8.997 1.00 62.12 H new ATOM 0 HE2 LYS A 26 6.557 -17.241 -11.195 1.00 42.22 H new ATOM 0 HE3 LYS A 26 7.552 -15.823 -11.463 1.00 42.22 H new ATOM 0 HZ1 LYS A 26 8.382 -17.720 -12.693 1.00 32.43 H new ATOM 0 HZ2 LYS A 26 9.517 -17.246 -11.523 1.00 32.43 H new ATOM 0 HZ3 LYS A 26 8.554 -18.620 -11.263 1.00 32.43 H new ATOM 408 N LYS A 27 4.980 -12.615 -7.453 1.00 11.12 N ATOM 409 CA LYS A 27 3.996 -11.544 -7.560 1.00 30.14 C ATOM 410 C LYS A 27 4.337 -10.395 -6.617 1.00 44.32 C ATOM 411 O LYS A 27 4.945 -10.600 -5.567 1.00 5.04 O ATOM 412 CB LYS A 27 2.596 -12.076 -7.246 1.00 72.14 C ATOM 413 CG LYS A 27 2.130 -13.160 -8.202 1.00 75.01 C ATOM 414 CD LYS A 27 0.906 -13.886 -7.668 1.00 33.25 C ATOM 415 CE LYS A 27 0.508 -15.045 -8.568 1.00 70.42 C ATOM 416 NZ LYS A 27 -0.773 -15.669 -8.137 1.00 35.55 N ATOM 0 H LYS A 27 4.716 -13.368 -6.818 1.00 11.12 H new ATOM 0 HA LYS A 27 4.015 -11.169 -8.583 1.00 30.14 H new ATOM 0 HB2 LYS A 27 2.585 -12.470 -6.230 1.00 72.14 H new ATOM 0 HB3 LYS A 27 1.887 -11.249 -7.274 1.00 72.14 H new ATOM 0 HG2 LYS A 27 1.898 -12.717 -9.170 1.00 75.01 H new ATOM 0 HG3 LYS A 27 2.937 -13.875 -8.364 1.00 75.01 H new ATOM 0 HD2 LYS A 27 1.111 -14.258 -6.664 1.00 33.25 H new ATOM 0 HD3 LYS A 27 0.074 -13.186 -7.585 1.00 33.25 H new ATOM 0 HE2 LYS A 27 0.412 -14.691 -9.594 1.00 70.42 H new ATOM 0 HE3 LYS A 27 1.298 -15.796 -8.563 1.00 70.42 H new ATOM 0 HZ1 LYS A 27 -1.009 -16.455 -8.776 1.00 35.55 H new ATOM 0 HZ2 LYS A 27 -0.674 -16.030 -7.167 1.00 35.55 H new ATOM 0 HZ3 LYS A 27 -1.532 -14.959 -8.167 1.00 35.55 H new ATOM 430 N LYS A 28 3.941 -9.185 -6.998 1.00 20.31 N ATOM 431 CA LYS A 28 4.202 -8.003 -6.185 1.00 12.24 C ATOM 432 C LYS A 28 2.899 -7.309 -5.800 1.00 4.30 C ATOM 433 O LYS A 28 1.854 -7.552 -6.402 1.00 74.25 O ATOM 434 CB LYS A 28 5.107 -7.029 -6.942 1.00 52.23 C ATOM 435 CG LYS A 28 6.522 -7.543 -7.140 1.00 51.44 C ATOM 436 CD LYS A 28 7.064 -7.168 -8.510 1.00 55.10 C ATOM 437 CE LYS A 28 7.655 -8.374 -9.224 1.00 65.20 C ATOM 438 NZ LYS A 28 8.663 -9.077 -8.383 1.00 24.11 N ATOM 0 H LYS A 28 3.438 -8.997 -7.865 1.00 20.31 H new ATOM 0 HA LYS A 28 4.705 -8.323 -5.273 1.00 12.24 H new ATOM 0 HB2 LYS A 28 4.666 -6.819 -7.916 1.00 52.23 H new ATOM 0 HB3 LYS A 28 5.145 -6.085 -6.399 1.00 52.23 H new ATOM 0 HG2 LYS A 28 7.171 -7.133 -6.366 1.00 51.44 H new ATOM 0 HG3 LYS A 28 6.536 -8.627 -7.026 1.00 51.44 H new ATOM 0 HD2 LYS A 28 6.264 -6.742 -9.115 1.00 55.10 H new ATOM 0 HD3 LYS A 28 7.827 -6.397 -8.402 1.00 55.10 H new ATOM 0 HE2 LYS A 28 6.856 -9.067 -9.489 1.00 65.20 H new ATOM 0 HE3 LYS A 28 8.120 -8.052 -10.156 1.00 65.20 H new ATOM 0 HZ1 LYS A 28 9.367 -9.536 -8.996 1.00 24.11 H new ATOM 0 HZ2 LYS A 28 9.138 -8.390 -7.764 1.00 24.11 H new ATOM 0 HZ3 LYS A 28 8.189 -9.797 -7.801 1.00 24.11 H new ATOM 452 N TYR A 29 2.970 -6.444 -4.794 1.00 62.33 N ATOM 453 CA TYR A 29 1.796 -5.716 -4.328 1.00 41.04 C ATOM 454 C TYR A 29 1.324 -4.714 -5.379 1.00 4.41 C ATOM 455 O TYR A 29 2.121 -4.196 -6.161 1.00 4.24 O ATOM 456 CB TYR A 29 2.107 -4.990 -3.018 1.00 53.30 C ATOM 457 CG TYR A 29 1.919 -5.851 -1.790 1.00 61.22 C ATOM 458 CD1 TYR A 29 0.663 -6.017 -1.219 1.00 50.22 C ATOM 459 CD2 TYR A 29 2.997 -6.497 -1.199 1.00 20.32 C ATOM 460 CE1 TYR A 29 0.487 -6.802 -0.097 1.00 11.02 C ATOM 461 CE2 TYR A 29 2.830 -7.286 -0.077 1.00 43.14 C ATOM 462 CZ TYR A 29 1.573 -7.435 0.471 1.00 42.21 C ATOM 463 OH TYR A 29 1.403 -8.218 1.589 1.00 52.23 O ATOM 0 H TYR A 29 3.828 -6.230 -4.286 1.00 62.33 H new ATOM 0 HA TYR A 29 0.997 -6.437 -4.155 1.00 41.04 H new ATOM 0 HB2 TYR A 29 3.136 -4.632 -3.046 1.00 53.30 H new ATOM 0 HB3 TYR A 29 1.466 -4.112 -2.938 1.00 53.30 H new ATOM 0 HD1 TYR A 29 -0.190 -5.523 -1.661 1.00 50.22 H new ATOM 0 HD2 TYR A 29 3.983 -6.381 -1.624 1.00 20.32 H new ATOM 0 HE1 TYR A 29 -0.496 -6.920 0.334 1.00 11.02 H new ATOM 0 HE2 TYR A 29 3.679 -7.783 0.368 1.00 43.14 H new ATOM 0 HH TYR A 29 2.041 -8.962 1.567 1.00 52.23 H new ATOM 473 N ARG A 30 0.022 -4.447 -5.388 1.00 43.45 N ATOM 474 CA ARG A 30 -0.557 -3.508 -6.342 1.00 5.31 C ATOM 475 C ARG A 30 -1.746 -2.775 -5.729 1.00 54.51 C ATOM 476 O ARG A 30 -2.327 -3.229 -4.742 1.00 44.31 O ATOM 477 CB ARG A 30 -0.996 -4.242 -7.611 1.00 1.13 C ATOM 478 CG ARG A 30 -0.358 -3.700 -8.879 1.00 32.40 C ATOM 479 CD ARG A 30 -0.786 -4.497 -10.102 1.00 14.43 C ATOM 480 NE ARG A 30 -1.533 -3.678 -11.054 1.00 52.02 N ATOM 481 CZ ARG A 30 -0.967 -2.781 -11.854 1.00 55.22 C ATOM 482 NH1 ARG A 30 0.344 -2.588 -11.817 1.00 24.33 N ATOM 483 NH2 ARG A 30 -1.714 -2.074 -12.693 1.00 64.44 N ATOM 0 H ARG A 30 -0.651 -4.867 -4.747 1.00 43.45 H new ATOM 0 HA ARG A 30 0.207 -2.774 -6.601 1.00 5.31 H new ATOM 0 HB2 ARG A 30 -0.749 -5.299 -7.513 1.00 1.13 H new ATOM 0 HB3 ARG A 30 -2.080 -4.175 -7.703 1.00 1.13 H new ATOM 0 HG2 ARG A 30 -0.636 -2.654 -9.009 1.00 32.40 H new ATOM 0 HG3 ARG A 30 0.727 -3.732 -8.784 1.00 32.40 H new ATOM 0 HD2 ARG A 30 0.095 -4.910 -10.592 1.00 14.43 H new ATOM 0 HD3 ARG A 30 -1.401 -5.340 -9.788 1.00 14.43 H new ATOM 0 HE ARG A 30 -2.544 -3.802 -11.107 1.00 52.02 H new ATOM 0 HH11 ARG A 30 0.921 -3.129 -11.173 1.00 24.33 H new ATOM 0 HH12 ARG A 30 0.776 -1.899 -12.433 1.00 24.33 H new ATOM 0 HH21 ARG A 30 -2.723 -2.219 -12.724 1.00 64.44 H new ATOM 0 HH22 ARG A 30 -1.279 -1.385 -13.307 1.00 64.44 H new ATOM 497 N LEU A 31 -2.103 -1.640 -6.319 1.00 54.41 N ATOM 498 CA LEU A 31 -3.223 -0.842 -5.831 1.00 23.14 C ATOM 499 C LEU A 31 -4.435 -1.723 -5.545 1.00 45.02 C ATOM 500 O LEU A 31 -5.196 -1.468 -4.612 1.00 20.33 O ATOM 501 CB LEU A 31 -3.590 0.236 -6.852 1.00 15.13 C ATOM 502 CG LEU A 31 -2.532 1.308 -7.106 1.00 44.34 C ATOM 503 CD1 LEU A 31 -2.585 1.780 -8.551 1.00 2.13 C ATOM 504 CD2 LEU A 31 -2.720 2.480 -6.154 1.00 12.00 C ATOM 0 H LEU A 31 -1.633 -1.251 -7.136 1.00 54.41 H new ATOM 0 HA LEU A 31 -2.918 -0.363 -4.901 1.00 23.14 H new ATOM 0 HB2 LEU A 31 -3.818 -0.252 -7.799 1.00 15.13 H new ATOM 0 HB3 LEU A 31 -4.504 0.728 -6.518 1.00 15.13 H new ATOM 0 HG LEU A 31 -1.550 0.871 -6.924 1.00 44.34 H new ATOM 0 HD11 LEU A 31 -1.824 2.543 -8.713 1.00 2.13 H new ATOM 0 HD12 LEU A 31 -2.400 0.937 -9.216 1.00 2.13 H new ATOM 0 HD13 LEU A 31 -3.569 2.199 -8.761 1.00 2.13 H new ATOM 0 HD21 LEU A 31 -1.957 3.234 -6.350 1.00 12.00 H new ATOM 0 HD22 LEU A 31 -3.708 2.916 -6.304 1.00 12.00 H new ATOM 0 HD23 LEU A 31 -2.630 2.131 -5.125 1.00 12.00 H new ATOM 516 N LYS A 32 -4.608 -2.763 -6.355 1.00 55.12 N ATOM 517 CA LYS A 32 -5.725 -3.685 -6.189 1.00 65.01 C ATOM 518 C LYS A 32 -5.803 -4.192 -4.752 1.00 22.11 C ATOM 519 O LYS A 32 -6.885 -4.276 -4.171 1.00 11.43 O ATOM 520 CB LYS A 32 -5.585 -4.866 -7.151 1.00 75.44 C ATOM 521 CG LYS A 32 -6.827 -5.737 -7.231 1.00 32.15 C ATOM 522 CD LYS A 32 -6.747 -6.720 -8.387 1.00 34.10 C ATOM 523 CE LYS A 32 -7.448 -6.182 -9.625 1.00 63.23 C ATOM 524 NZ LYS A 32 -8.507 -7.110 -10.109 1.00 71.23 N ATOM 0 H LYS A 32 -3.988 -2.988 -7.133 1.00 55.12 H new ATOM 0 HA LYS A 32 -6.645 -3.147 -6.416 1.00 65.01 H new ATOM 0 HB2 LYS A 32 -5.353 -4.487 -8.146 1.00 75.44 H new ATOM 0 HB3 LYS A 32 -4.740 -5.480 -6.838 1.00 75.44 H new ATOM 0 HG2 LYS A 32 -6.950 -6.283 -6.296 1.00 32.15 H new ATOM 0 HG3 LYS A 32 -7.708 -5.106 -7.350 1.00 32.15 H new ATOM 0 HD2 LYS A 32 -5.702 -6.926 -8.620 1.00 34.10 H new ATOM 0 HD3 LYS A 32 -7.200 -7.667 -8.093 1.00 34.10 H new ATOM 0 HE2 LYS A 32 -7.891 -5.212 -9.399 1.00 63.23 H new ATOM 0 HE3 LYS A 32 -6.716 -6.022 -10.416 1.00 63.23 H new ATOM 0 HZ1 LYS A 32 -8.961 -6.708 -10.954 1.00 71.23 H new ATOM 0 HZ2 LYS A 32 -8.081 -8.028 -10.349 1.00 71.23 H new ATOM 0 HZ3 LYS A 32 -9.219 -7.243 -9.363 1.00 71.23 H new ATOM 538 N HIS A 33 -4.648 -4.529 -4.185 1.00 72.41 N ATOM 539 CA HIS A 33 -4.586 -5.026 -2.814 1.00 70.15 C ATOM 540 C HIS A 33 -4.949 -3.926 -1.822 1.00 3.33 C ATOM 541 O HIS A 33 -5.538 -4.264 -0.794 1.00 65.25 O ATOM 542 CB HIS A 33 -3.187 -5.565 -2.508 1.00 52.24 C ATOM 543 CG HIS A 33 -2.755 -6.665 -3.428 1.00 45.25 C ATOM 544 ND1 HIS A 33 -1.759 -6.511 -4.370 1.00 20.35 N ATOM 545 CD2 HIS A 33 -3.188 -7.942 -3.548 1.00 10.33 C ATOM 546 CE1 HIS A 33 -1.600 -7.645 -5.028 1.00 22.52 C ATOM 547 NE2 HIS A 33 -2.454 -8.530 -4.547 1.00 13.33 N ATOM 0 H HIS A 33 -3.744 -4.467 -4.653 1.00 72.41 H new ATOM 0 HA HIS A 33 -5.309 -5.835 -2.713 1.00 70.15 H new ATOM 0 HB2 HIS A 33 -2.470 -4.747 -2.571 1.00 52.24 H new ATOM 0 HB3 HIS A 33 -3.164 -5.931 -1.481 1.00 52.24 H new ATOM 0 HD2 HIS A 33 -3.967 -8.411 -2.965 1.00 10.33 H new ATOM 0 HE1 HIS A 33 -0.892 -7.819 -5.824 1.00 22.52 H new ATOM 0 HE2 HIS A 33 -2.552 -9.494 -4.866 1.00 13.33 H new ATOM 555 N ILE A 34 -4.625 -2.665 -2.090 1.00 33.30 N ATOM 556 CA ILE A 34 -4.952 -1.581 -1.172 1.00 34.53 C ATOM 557 C ILE A 34 -6.460 -1.364 -1.092 1.00 21.20 C ATOM 558 O ILE A 34 -6.999 -1.064 -0.027 1.00 41.45 O ATOM 559 CB ILE A 34 -4.276 -0.264 -1.593 1.00 53.31 C ATOM 560 CG1 ILE A 34 -2.792 -0.496 -1.879 1.00 64.14 C ATOM 561 CG2 ILE A 34 -4.454 0.792 -0.511 1.00 53.22 C ATOM 562 CD1 ILE A 34 -2.054 0.756 -2.301 1.00 73.01 C ATOM 0 H ILE A 34 -4.137 -2.369 -2.935 1.00 33.30 H new ATOM 0 HA ILE A 34 -4.578 -1.874 -0.191 1.00 34.53 H new ATOM 0 HB ILE A 34 -4.751 0.095 -2.506 1.00 53.31 H new ATOM 0 HG12 ILE A 34 -2.318 -0.904 -0.986 1.00 64.14 H new ATOM 0 HG13 ILE A 34 -2.695 -1.247 -2.663 1.00 64.14 H new ATOM 0 HG21 ILE A 34 -3.971 1.718 -0.823 1.00 53.22 H new ATOM 0 HG22 ILE A 34 -5.517 0.974 -0.351 1.00 53.22 H new ATOM 0 HG23 ILE A 34 -4.002 0.442 0.417 1.00 53.22 H new ATOM 0 HD11 ILE A 34 -1.007 0.516 -2.487 1.00 73.01 H new ATOM 0 HD12 ILE A 34 -2.503 1.153 -3.211 1.00 73.01 H new ATOM 0 HD13 ILE A 34 -2.120 1.502 -1.509 1.00 73.01 H new ATOM 574 N VAL A 35 -7.135 -1.520 -2.226 1.00 42.22 N ATOM 575 CA VAL A 35 -8.581 -1.343 -2.286 1.00 21.11 C ATOM 576 C VAL A 35 -9.296 -2.386 -1.434 1.00 14.41 C ATOM 577 O VAL A 35 -10.105 -2.046 -0.569 1.00 33.51 O ATOM 578 CB VAL A 35 -9.099 -1.436 -3.733 1.00 74.44 C ATOM 579 CG1 VAL A 35 -10.612 -1.282 -3.770 1.00 3.35 C ATOM 580 CG2 VAL A 35 -8.426 -0.388 -4.607 1.00 70.53 C ATOM 0 H VAL A 35 -6.703 -1.769 -3.116 1.00 42.22 H new ATOM 0 HA VAL A 35 -8.795 -0.348 -1.895 1.00 21.11 H new ATOM 0 HB VAL A 35 -8.849 -2.421 -4.128 1.00 74.44 H new ATOM 0 HG11 VAL A 35 -10.960 -1.350 -4.801 1.00 3.35 H new ATOM 0 HG12 VAL A 35 -11.073 -2.073 -3.178 1.00 3.35 H new ATOM 0 HG13 VAL A 35 -10.889 -0.312 -3.357 1.00 3.35 H new ATOM 0 HG21 VAL A 35 -8.803 -0.468 -5.626 1.00 70.53 H new ATOM 0 HG22 VAL A 35 -8.643 0.606 -4.216 1.00 70.53 H new ATOM 0 HG23 VAL A 35 -7.348 -0.551 -4.605 1.00 70.53 H new ATOM 590 N TRP A 36 -8.994 -3.654 -1.683 1.00 71.01 N ATOM 591 CA TRP A 36 -9.609 -4.747 -0.938 1.00 24.30 C ATOM 592 C TRP A 36 -9.369 -4.588 0.560 1.00 60.52 C ATOM 593 O TRP A 36 -10.143 -5.083 1.378 1.00 43.50 O ATOM 594 CB TRP A 36 -9.058 -6.092 -1.415 1.00 43.45 C ATOM 595 CG TRP A 36 -9.616 -7.263 -0.667 1.00 31.42 C ATOM 596 CD1 TRP A 36 -10.699 -8.018 -1.016 1.00 63.52 C ATOM 597 CD2 TRP A 36 -9.122 -7.810 0.561 1.00 71.52 C ATOM 598 NE1 TRP A 36 -10.907 -9.004 -0.082 1.00 5.35 N ATOM 599 CE2 TRP A 36 -9.952 -8.898 0.896 1.00 14.02 C ATOM 600 CE3 TRP A 36 -8.057 -7.490 1.408 1.00 74.33 C ATOM 601 CZ2 TRP A 36 -9.751 -9.662 2.042 1.00 32.52 C ATOM 602 CZ3 TRP A 36 -7.859 -8.249 2.545 1.00 61.53 C ATOM 603 CH2 TRP A 36 -8.702 -9.326 2.853 1.00 24.33 C ATOM 0 H TRP A 36 -8.327 -3.952 -2.395 1.00 71.01 H new ATOM 0 HA TRP A 36 -10.683 -4.718 -1.120 1.00 24.30 H new ATOM 0 HB2 TRP A 36 -9.277 -6.210 -2.476 1.00 43.45 H new ATOM 0 HB3 TRP A 36 -7.973 -6.089 -1.312 1.00 43.45 H new ATOM 0 HD1 TRP A 36 -11.304 -7.863 -1.897 1.00 63.52 H new ATOM 0 HE1 TRP A 36 -11.651 -9.701 -0.111 1.00 5.35 H new ATOM 0 HE3 TRP A 36 -7.401 -6.664 1.177 1.00 74.33 H new ATOM 0 HZ2 TRP A 36 -10.400 -10.491 2.282 1.00 32.52 H new ATOM 0 HZ3 TRP A 36 -7.041 -8.009 3.208 1.00 61.53 H new ATOM 0 HH2 TRP A 36 -8.520 -9.902 3.748 1.00 24.33 H new ATOM 614 N ALA A 37 -8.291 -3.895 0.911 1.00 13.34 N ATOM 615 CA ALA A 37 -7.951 -3.668 2.310 1.00 61.33 C ATOM 616 C ALA A 37 -8.766 -2.520 2.895 1.00 72.24 C ATOM 617 O ALA A 37 -9.466 -2.689 3.893 1.00 62.14 O ATOM 618 CB ALA A 37 -6.462 -3.388 2.452 1.00 11.51 C ATOM 0 H ALA A 37 -7.638 -3.481 0.246 1.00 13.34 H new ATOM 0 HA ALA A 37 -8.195 -4.572 2.869 1.00 61.33 H new ATOM 0 HB1 ALA A 37 -6.222 -3.220 3.502 1.00 11.51 H new ATOM 0 HB2 ALA A 37 -5.894 -4.242 2.082 1.00 11.51 H new ATOM 0 HB3 ALA A 37 -6.202 -2.501 1.874 1.00 11.51 H new ATOM 624 N ALA A 38 -8.670 -1.353 2.268 1.00 52.42 N ATOM 625 CA ALA A 38 -9.399 -0.177 2.726 1.00 73.33 C ATOM 626 C ALA A 38 -10.878 -0.493 2.929 1.00 3.34 C ATOM 627 O ALA A 38 -11.513 0.031 3.843 1.00 74.24 O ATOM 628 CB ALA A 38 -9.234 0.966 1.735 1.00 73.20 C ATOM 0 H ALA A 38 -8.094 -1.196 1.441 1.00 52.42 H new ATOM 0 HA ALA A 38 -8.983 0.126 3.687 1.00 73.33 H new ATOM 0 HB1 ALA A 38 -9.784 1.838 2.090 1.00 73.20 H new ATOM 0 HB2 ALA A 38 -8.177 1.217 1.642 1.00 73.20 H new ATOM 0 HB3 ALA A 38 -9.622 0.663 0.763 1.00 73.20 H new ATOM 634 N ASN A 39 -11.418 -1.353 2.072 1.00 31.53 N ATOM 635 CA ASN A 39 -12.822 -1.738 2.158 1.00 41.13 C ATOM 636 C ASN A 39 -13.154 -2.279 3.545 1.00 24.13 C ATOM 637 O ASN A 39 -14.238 -2.038 4.075 1.00 73.43 O ATOM 638 CB ASN A 39 -13.150 -2.790 1.096 1.00 42.34 C ATOM 639 CG ASN A 39 -14.640 -2.908 0.840 1.00 33.33 C ATOM 640 OD1 ASN A 39 -15.435 -3.006 1.775 1.00 21.32 O ATOM 641 ND2 ASN A 39 -15.025 -2.899 -0.430 1.00 43.21 N ATOM 0 H ASN A 39 -10.905 -1.797 1.310 1.00 31.53 H new ATOM 0 HA ASN A 39 -13.428 -0.850 1.979 1.00 41.13 H new ATOM 0 HB2 ASN A 39 -12.643 -2.533 0.166 1.00 42.34 H new ATOM 0 HB3 ASN A 39 -12.761 -3.757 1.414 1.00 42.34 H new ATOM 0 HD21 ASN A 39 -16.015 -2.975 -0.663 1.00 43.21 H new ATOM 0 HD22 ASN A 39 -14.331 -2.816 -1.173 1.00 43.21 H new ATOM 648 N LYS A 40 -12.212 -3.012 4.129 1.00 44.44 N ATOM 649 CA LYS A 40 -12.401 -3.587 5.455 1.00 31.30 C ATOM 650 C LYS A 40 -12.389 -2.501 6.526 1.00 20.03 C ATOM 651 O LYS A 40 -13.214 -2.508 7.442 1.00 41.24 O ATOM 652 CB LYS A 40 -11.308 -4.618 5.748 1.00 53.43 C ATOM 653 CG LYS A 40 -11.832 -6.036 5.892 1.00 13.25 C ATOM 654 CD LYS A 40 -12.503 -6.515 4.616 1.00 24.21 C ATOM 655 CE LYS A 40 -12.328 -8.015 4.424 1.00 1.41 C ATOM 656 NZ LYS A 40 -13.218 -8.544 3.355 1.00 31.31 N ATOM 0 H LYS A 40 -11.309 -3.222 3.704 1.00 44.44 H new ATOM 0 HA LYS A 40 -13.372 -4.081 5.473 1.00 31.30 H new ATOM 0 HB2 LYS A 40 -10.571 -4.592 4.945 1.00 53.43 H new ATOM 0 HB3 LYS A 40 -10.791 -4.336 6.665 1.00 53.43 H new ATOM 0 HG2 LYS A 40 -11.009 -6.705 6.145 1.00 13.25 H new ATOM 0 HG3 LYS A 40 -12.543 -6.080 6.717 1.00 13.25 H new ATOM 0 HD2 LYS A 40 -13.565 -6.273 4.649 1.00 24.21 H new ATOM 0 HD3 LYS A 40 -12.082 -5.986 3.761 1.00 24.21 H new ATOM 0 HE2 LYS A 40 -11.290 -8.230 4.172 1.00 1.41 H new ATOM 0 HE3 LYS A 40 -12.541 -8.529 5.361 1.00 1.41 H new ATOM 0 HZ1 LYS A 40 -12.833 -9.440 2.995 1.00 31.31 H new ATOM 0 HZ2 LYS A 40 -14.169 -8.707 3.744 1.00 31.31 H new ATOM 0 HZ3 LYS A 40 -13.275 -7.855 2.578 1.00 31.31 H new ATOM 670 N LEU A 41 -11.451 -1.567 6.405 1.00 31.23 N ATOM 671 CA LEU A 41 -11.333 -0.473 7.362 1.00 54.30 C ATOM 672 C LEU A 41 -12.672 0.234 7.548 1.00 11.34 C ATOM 673 O LEU A 41 -12.946 0.798 8.608 1.00 32.44 O ATOM 674 CB LEU A 41 -10.276 0.528 6.894 1.00 3.12 C ATOM 675 CG LEU A 41 -8.841 0.005 6.826 1.00 21.03 C ATOM 676 CD1 LEU A 41 -7.922 1.046 6.203 1.00 73.31 C ATOM 677 CD2 LEU A 41 -8.347 -0.381 8.213 1.00 75.50 C ATOM 0 H LEU A 41 -10.762 -1.546 5.654 1.00 31.23 H new ATOM 0 HA LEU A 41 -11.028 -0.893 8.321 1.00 54.30 H new ATOM 0 HB2 LEU A 41 -10.558 0.888 5.904 1.00 3.12 H new ATOM 0 HB3 LEU A 41 -10.297 1.388 7.564 1.00 3.12 H new ATOM 0 HG LEU A 41 -8.829 -0.885 6.197 1.00 21.03 H new ATOM 0 HD11 LEU A 41 -6.905 0.656 6.163 1.00 73.31 H new ATOM 0 HD12 LEU A 41 -8.263 1.275 5.193 1.00 73.31 H new ATOM 0 HD13 LEU A 41 -7.939 1.954 6.806 1.00 73.31 H new ATOM 0 HD21 LEU A 41 -7.324 -0.751 8.145 1.00 75.50 H new ATOM 0 HD22 LEU A 41 -8.374 0.492 8.865 1.00 75.50 H new ATOM 0 HD23 LEU A 41 -8.988 -1.161 8.624 1.00 75.50 H new ATOM 689 N ASP A 42 -13.503 0.200 6.512 1.00 62.21 N ATOM 690 CA ASP A 42 -14.815 0.834 6.562 1.00 72.12 C ATOM 691 C ASP A 42 -15.784 0.013 7.407 1.00 1.00 C ATOM 692 O ASP A 42 -16.438 0.541 8.305 1.00 34.15 O ATOM 693 CB ASP A 42 -15.373 1.010 5.148 1.00 34.12 C ATOM 694 CG ASP A 42 -15.423 2.464 4.722 1.00 22.41 C ATOM 695 OD1 ASP A 42 -14.464 3.205 5.027 1.00 22.41 O ATOM 696 OD2 ASP A 42 -16.419 2.861 4.083 1.00 43.40 O ATOM 0 H ASP A 42 -13.291 -0.260 5.627 1.00 62.21 H new ATOM 0 HA ASP A 42 -14.701 1.815 7.024 1.00 72.12 H new ATOM 0 HB2 ASP A 42 -14.757 0.450 4.445 1.00 34.12 H new ATOM 0 HB3 ASP A 42 -16.376 0.586 5.101 1.00 34.12 H new ATOM 701 N ARG A 43 -15.870 -1.279 7.112 1.00 61.52 N ATOM 702 CA ARG A 43 -16.761 -2.172 7.843 1.00 71.54 C ATOM 703 C ARG A 43 -16.541 -2.048 9.347 1.00 10.22 C ATOM 704 O ARG A 43 -17.435 -2.335 10.142 1.00 71.40 O ATOM 705 CB ARG A 43 -16.539 -3.621 7.402 1.00 11.32 C ATOM 706 CG ARG A 43 -17.829 -4.376 7.121 1.00 42.52 C ATOM 707 CD ARG A 43 -18.592 -4.671 8.403 1.00 62.12 C ATOM 708 NE ARG A 43 -19.752 -3.799 8.562 1.00 32.51 N ATOM 709 CZ ARG A 43 -20.359 -3.589 9.725 1.00 40.23 C ATOM 710 NH1 ARG A 43 -19.919 -4.185 10.824 1.00 45.32 N ATOM 711 NH2 ARG A 43 -21.409 -2.781 9.789 1.00 34.25 N ATOM 0 H ARG A 43 -15.334 -1.731 6.372 1.00 61.52 H new ATOM 0 HA ARG A 43 -17.788 -1.884 7.619 1.00 71.54 H new ATOM 0 HB2 ARG A 43 -15.921 -3.628 6.504 1.00 11.32 H new ATOM 0 HB3 ARG A 43 -15.982 -4.147 8.177 1.00 11.32 H new ATOM 0 HG2 ARG A 43 -18.456 -3.790 6.450 1.00 42.52 H new ATOM 0 HG3 ARG A 43 -17.601 -5.311 6.609 1.00 42.52 H new ATOM 0 HD2 ARG A 43 -18.918 -5.711 8.400 1.00 62.12 H new ATOM 0 HD3 ARG A 43 -17.926 -4.548 9.257 1.00 62.12 H new ATOM 0 HE ARG A 43 -20.116 -3.325 7.735 1.00 32.51 H new ATOM 0 HH11 ARG A 43 -19.112 -4.807 10.779 1.00 45.32 H new ATOM 0 HH12 ARG A 43 -20.387 -4.022 11.715 1.00 45.32 H new ATOM 0 HH21 ARG A 43 -21.751 -2.321 8.945 1.00 34.25 H new ATOM 0 HH22 ARG A 43 -21.875 -2.620 10.682 1.00 34.25 H new ATOM 725 N PHE A 44 -15.344 -1.617 9.731 1.00 42.30 N ATOM 726 CA PHE A 44 -15.005 -1.455 11.140 1.00 13.22 C ATOM 727 C PHE A 44 -15.153 0.002 11.572 1.00 61.12 C ATOM 728 O PHE A 44 -15.716 0.295 12.625 1.00 31.45 O ATOM 729 CB PHE A 44 -13.576 -1.933 11.401 1.00 45.30 C ATOM 730 CG PHE A 44 -13.395 -3.413 11.218 1.00 13.21 C ATOM 731 CD1 PHE A 44 -14.109 -4.311 11.995 1.00 62.41 C ATOM 732 CD2 PHE A 44 -12.513 -3.905 10.269 1.00 2.05 C ATOM 733 CE1 PHE A 44 -13.944 -5.674 11.828 1.00 22.42 C ATOM 734 CE2 PHE A 44 -12.345 -5.266 10.099 1.00 72.12 C ATOM 735 CZ PHE A 44 -13.062 -6.151 10.879 1.00 74.42 C ATOM 0 H PHE A 44 -14.592 -1.374 9.086 1.00 42.30 H new ATOM 0 HA PHE A 44 -15.696 -2.061 11.726 1.00 13.22 H new ATOM 0 HB2 PHE A 44 -12.897 -1.407 10.730 1.00 45.30 H new ATOM 0 HB3 PHE A 44 -13.291 -1.663 12.418 1.00 45.30 H new ATOM 0 HD1 PHE A 44 -14.801 -3.943 12.738 1.00 62.41 H new ATOM 0 HD2 PHE A 44 -11.951 -3.217 9.655 1.00 2.05 H new ATOM 0 HE1 PHE A 44 -14.505 -6.365 12.440 1.00 22.42 H new ATOM 0 HE2 PHE A 44 -11.654 -5.637 9.357 1.00 72.12 H new ATOM 0 HZ PHE A 44 -12.933 -7.215 10.747 1.00 74.42 H new ATOM 745 N GLY A 45 -14.641 0.912 10.747 1.00 12.03 N ATOM 746 CA GLY A 45 -14.726 2.326 11.060 1.00 33.14 C ATOM 747 C GLY A 45 -13.458 3.076 10.701 1.00 13.20 C ATOM 748 O GLY A 45 -13.514 4.167 10.132 1.00 21.31 O ATOM 0 H GLY A 45 -14.170 0.695 9.869 1.00 12.03 H new ATOM 0 HA2 GLY A 45 -15.568 2.764 10.524 1.00 33.14 H new ATOM 0 HA3 GLY A 45 -14.928 2.448 12.124 1.00 33.14 H new ATOM 752 N LEU A 46 -12.313 2.492 11.035 1.00 52.02 N ATOM 753 CA LEU A 46 -11.025 3.113 10.745 1.00 33.34 C ATOM 754 C LEU A 46 -11.021 3.734 9.353 1.00 41.13 C ATOM 755 O LEU A 46 -11.523 3.143 8.397 1.00 12.23 O ATOM 756 CB LEU A 46 -9.902 2.081 10.860 1.00 1.31 C ATOM 757 CG LEU A 46 -9.100 2.102 12.161 1.00 14.24 C ATOM 758 CD1 LEU A 46 -9.154 0.744 12.844 1.00 2.41 C ATOM 759 CD2 LEU A 46 -7.659 2.510 11.894 1.00 2.31 C ATOM 0 H LEU A 46 -12.250 1.590 11.507 1.00 52.02 H new ATOM 0 HA LEU A 46 -10.858 3.905 11.475 1.00 33.34 H new ATOM 0 HB2 LEU A 46 -10.335 1.088 10.740 1.00 1.31 H new ATOM 0 HB3 LEU A 46 -9.212 2.231 10.029 1.00 1.31 H new ATOM 0 HG LEU A 46 -9.547 2.839 12.828 1.00 14.24 H new ATOM 0 HD11 LEU A 46 -8.577 0.778 13.768 1.00 2.41 H new ATOM 0 HD12 LEU A 46 -10.190 0.492 13.072 1.00 2.41 H new ATOM 0 HD13 LEU A 46 -8.734 -0.013 12.182 1.00 2.41 H new ATOM 0 HD21 LEU A 46 -7.104 2.519 12.832 1.00 2.31 H new ATOM 0 HD22 LEU A 46 -7.200 1.798 11.208 1.00 2.31 H new ATOM 0 HD23 LEU A 46 -7.639 3.506 11.451 1.00 2.31 H new ATOM 771 N ALA A 47 -10.448 4.928 9.244 1.00 3.42 N ATOM 772 CA ALA A 47 -10.374 5.627 7.968 1.00 42.14 C ATOM 773 C ALA A 47 -9.355 4.972 7.041 1.00 74.02 C ATOM 774 O ALA A 47 -8.290 4.542 7.481 1.00 4.44 O ATOM 775 CB ALA A 47 -10.026 7.092 8.187 1.00 50.32 C ATOM 0 H ALA A 47 -10.028 5.432 10.025 1.00 3.42 H new ATOM 0 HA ALA A 47 -11.352 5.565 7.491 1.00 42.14 H new ATOM 0 HB1 ALA A 47 -9.974 7.601 7.225 1.00 50.32 H new ATOM 0 HB2 ALA A 47 -10.793 7.560 8.804 1.00 50.32 H new ATOM 0 HB3 ALA A 47 -9.061 7.166 8.689 1.00 50.32 H new ATOM 781 N GLU A 48 -9.691 4.900 5.757 1.00 50.10 N ATOM 782 CA GLU A 48 -8.804 4.295 4.770 1.00 52.13 C ATOM 783 C GLU A 48 -7.590 5.183 4.512 1.00 41.31 C ATOM 784 O GLU A 48 -6.555 4.715 4.039 1.00 24.23 O ATOM 785 CB GLU A 48 -9.555 4.049 3.459 1.00 33.33 C ATOM 786 CG GLU A 48 -10.219 5.293 2.895 1.00 72.33 C ATOM 787 CD GLU A 48 -10.889 5.042 1.558 1.00 0.02 C ATOM 788 OE1 GLU A 48 -10.207 4.549 0.635 1.00 64.32 O ATOM 789 OE2 GLU A 48 -12.096 5.337 1.434 1.00 13.44 O ATOM 0 H GLU A 48 -10.569 5.252 5.376 1.00 50.10 H new ATOM 0 HA GLU A 48 -8.458 3.341 5.168 1.00 52.13 H new ATOM 0 HB2 GLU A 48 -8.859 3.653 2.720 1.00 33.33 H new ATOM 0 HB3 GLU A 48 -10.315 3.285 3.623 1.00 33.33 H new ATOM 0 HG2 GLU A 48 -10.960 5.658 3.606 1.00 72.33 H new ATOM 0 HG3 GLU A 48 -9.472 6.079 2.781 1.00 72.33 H new ATOM 796 N SER A 49 -7.726 6.467 4.827 1.00 73.21 N ATOM 797 CA SER A 49 -6.642 7.423 4.626 1.00 32.21 C ATOM 798 C SER A 49 -5.515 7.183 5.627 1.00 55.24 C ATOM 799 O SER A 49 -4.435 7.764 5.513 1.00 61.44 O ATOM 800 CB SER A 49 -7.165 8.854 4.762 1.00 61.32 C ATOM 801 OG SER A 49 -7.201 9.257 6.120 1.00 4.11 O ATOM 0 H SER A 49 -8.576 6.870 5.222 1.00 73.21 H new ATOM 0 HA SER A 49 -6.247 7.283 3.620 1.00 32.21 H new ATOM 0 HB2 SER A 49 -6.528 9.533 4.195 1.00 61.32 H new ATOM 0 HB3 SER A 49 -8.165 8.921 4.333 1.00 61.32 H new ATOM 0 HG SER A 49 -7.537 10.176 6.180 1.00 4.11 H new ATOM 807 N LEU A 50 -5.775 6.326 6.607 1.00 71.20 N ATOM 808 CA LEU A 50 -4.784 6.008 7.629 1.00 71.25 C ATOM 809 C LEU A 50 -3.735 5.041 7.089 1.00 42.35 C ATOM 810 O LEU A 50 -2.775 4.699 7.779 1.00 3.55 O ATOM 811 CB LEU A 50 -5.465 5.405 8.858 1.00 1.43 C ATOM 812 CG LEU A 50 -6.428 6.324 9.611 1.00 72.13 C ATOM 813 CD1 LEU A 50 -7.146 5.559 10.712 1.00 41.41 C ATOM 814 CD2 LEU A 50 -5.685 7.520 10.186 1.00 24.15 C ATOM 0 H LEU A 50 -6.664 5.838 6.716 1.00 71.20 H new ATOM 0 HA LEU A 50 -4.285 6.934 7.916 1.00 71.25 H new ATOM 0 HB2 LEU A 50 -6.013 4.516 8.545 1.00 1.43 H new ATOM 0 HB3 LEU A 50 -4.692 5.075 9.552 1.00 1.43 H new ATOM 0 HG LEU A 50 -7.175 6.691 8.907 1.00 72.13 H new ATOM 0 HD11 LEU A 50 -7.827 6.230 11.237 1.00 41.41 H new ATOM 0 HD12 LEU A 50 -7.712 4.737 10.274 1.00 41.41 H new ATOM 0 HD13 LEU A 50 -6.414 5.162 11.416 1.00 41.41 H new ATOM 0 HD21 LEU A 50 -6.386 8.163 10.718 1.00 24.15 H new ATOM 0 HD22 LEU A 50 -4.916 7.173 10.876 1.00 24.15 H new ATOM 0 HD23 LEU A 50 -5.220 8.083 9.377 1.00 24.15 H new ATOM 826 N LEU A 51 -3.925 4.603 5.848 1.00 4.55 N ATOM 827 CA LEU A 51 -2.994 3.677 5.213 1.00 24.22 C ATOM 828 C LEU A 51 -1.837 4.429 4.562 1.00 34.42 C ATOM 829 O LEU A 51 -1.029 3.841 3.844 1.00 32.52 O ATOM 830 CB LEU A 51 -3.721 2.830 4.168 1.00 41.05 C ATOM 831 CG LEU A 51 -4.360 1.537 4.676 1.00 44.24 C ATOM 832 CD1 LEU A 51 -5.625 1.224 3.894 1.00 51.43 C ATOM 833 CD2 LEU A 51 -3.372 0.382 4.582 1.00 14.20 C ATOM 0 H LEU A 51 -4.715 4.874 5.263 1.00 4.55 H new ATOM 0 HA LEU A 51 -2.588 3.022 5.984 1.00 24.22 H new ATOM 0 HB2 LEU A 51 -4.500 3.441 3.712 1.00 41.05 H new ATOM 0 HB3 LEU A 51 -3.013 2.576 3.379 1.00 41.05 H new ATOM 0 HG LEU A 51 -4.630 1.674 5.723 1.00 44.24 H new ATOM 0 HD11 LEU A 51 -6.066 0.301 4.270 1.00 51.43 H new ATOM 0 HD12 LEU A 51 -6.337 2.040 4.012 1.00 51.43 H new ATOM 0 HD13 LEU A 51 -5.380 1.106 2.838 1.00 51.43 H new ATOM 0 HD21 LEU A 51 -3.843 -0.530 4.948 1.00 14.20 H new ATOM 0 HD22 LEU A 51 -3.071 0.244 3.543 1.00 14.20 H new ATOM 0 HD23 LEU A 51 -2.493 0.604 5.188 1.00 14.20 H new ATOM 845 N GLU A 52 -1.764 5.731 4.820 1.00 72.44 N ATOM 846 CA GLU A 52 -0.705 6.561 4.259 1.00 41.21 C ATOM 847 C GLU A 52 0.354 6.878 5.312 1.00 73.51 C ATOM 848 O GLU A 52 1.481 7.246 4.982 1.00 0.14 O ATOM 849 CB GLU A 52 -1.287 7.861 3.699 1.00 63.40 C ATOM 850 CG GLU A 52 -2.520 7.652 2.836 1.00 52.42 C ATOM 851 CD GLU A 52 -2.630 8.673 1.720 1.00 4.52 C ATOM 852 OE1 GLU A 52 -1.980 8.479 0.671 1.00 30.54 O ATOM 853 OE2 GLU A 52 -3.366 9.666 1.896 1.00 51.13 O ATOM 0 H GLU A 52 -2.425 6.233 5.413 1.00 72.44 H new ATOM 0 HA GLU A 52 -0.233 6.004 3.450 1.00 41.21 H new ATOM 0 HB2 GLU A 52 -1.541 8.522 4.527 1.00 63.40 H new ATOM 0 HB3 GLU A 52 -0.523 8.368 3.110 1.00 63.40 H new ATOM 0 HG2 GLU A 52 -2.493 6.651 2.406 1.00 52.42 H new ATOM 0 HG3 GLU A 52 -3.411 7.706 3.462 1.00 52.42 H new ATOM 860 N SER A 53 -0.018 6.730 6.579 1.00 33.02 N ATOM 861 CA SER A 53 0.896 7.005 7.681 1.00 31.43 C ATOM 862 C SER A 53 1.209 5.729 8.457 1.00 24.45 C ATOM 863 O SER A 53 0.624 4.675 8.206 1.00 44.13 O ATOM 864 CB SER A 53 0.296 8.052 8.622 1.00 64.34 C ATOM 865 OG SER A 53 -0.256 7.444 9.776 1.00 52.03 O ATOM 0 H SER A 53 -0.946 6.421 6.868 1.00 33.02 H new ATOM 0 HA SER A 53 1.824 7.393 7.262 1.00 31.43 H new ATOM 0 HB2 SER A 53 1.066 8.765 8.916 1.00 64.34 H new ATOM 0 HB3 SER A 53 -0.477 8.615 8.099 1.00 64.34 H new ATOM 0 HG SER A 53 -1.213 7.284 9.636 1.00 52.03 H new ATOM 871 N LYS A 54 2.138 5.831 9.402 1.00 11.14 N ATOM 872 CA LYS A 54 2.530 4.687 10.217 1.00 3.40 C ATOM 873 C LYS A 54 1.632 4.560 11.444 1.00 42.12 C ATOM 874 O LYS A 54 1.185 3.465 11.784 1.00 0.14 O ATOM 875 CB LYS A 54 3.991 4.824 10.654 1.00 53.21 C ATOM 876 CG LYS A 54 4.277 6.096 11.433 1.00 52.31 C ATOM 877 CD LYS A 54 5.762 6.259 11.709 1.00 31.34 C ATOM 878 CE LYS A 54 6.379 7.330 10.824 1.00 62.34 C ATOM 879 NZ LYS A 54 6.488 8.637 11.528 1.00 44.23 N ATOM 0 H LYS A 54 2.634 6.695 9.622 1.00 11.14 H new ATOM 0 HA LYS A 54 2.420 3.787 9.613 1.00 3.40 H new ATOM 0 HB2 LYS A 54 4.260 3.964 11.268 1.00 53.21 H new ATOM 0 HB3 LYS A 54 4.629 4.798 9.771 1.00 53.21 H new ATOM 0 HG2 LYS A 54 3.914 6.957 10.872 1.00 52.31 H new ATOM 0 HG3 LYS A 54 3.731 6.077 12.376 1.00 52.31 H new ATOM 0 HD2 LYS A 54 5.912 6.520 12.757 1.00 31.34 H new ATOM 0 HD3 LYS A 54 6.271 5.310 11.541 1.00 31.34 H new ATOM 0 HE2 LYS A 54 7.369 7.008 10.501 1.00 62.34 H new ATOM 0 HE3 LYS A 54 5.774 7.451 9.925 1.00 62.34 H new ATOM 0 HZ1 LYS A 54 6.913 9.340 10.891 1.00 44.23 H new ATOM 0 HZ2 LYS A 54 5.541 8.957 11.814 1.00 44.23 H new ATOM 0 HZ3 LYS A 54 7.086 8.528 12.372 1.00 44.23 H new ATOM 893 N GLU A 55 1.370 5.686 12.100 1.00 25.32 N ATOM 894 CA GLU A 55 0.524 5.698 13.288 1.00 24.42 C ATOM 895 C GLU A 55 -0.871 5.171 12.968 1.00 54.15 C ATOM 896 O GLU A 55 -1.470 4.445 13.759 1.00 10.24 O ATOM 897 CB GLU A 55 0.429 7.114 13.859 1.00 20.03 C ATOM 898 CG GLU A 55 1.757 7.661 14.356 1.00 32.13 C ATOM 899 CD GLU A 55 1.606 8.978 15.092 1.00 22.34 C ATOM 900 OE1 GLU A 55 0.779 9.044 16.025 1.00 34.24 O ATOM 901 OE2 GLU A 55 2.315 9.942 14.735 1.00 11.13 O ATOM 0 H GLU A 55 1.731 6.601 11.829 1.00 25.32 H new ATOM 0 HA GLU A 55 0.978 5.044 14.033 1.00 24.42 H new ATOM 0 HB2 GLU A 55 0.036 7.780 13.091 1.00 20.03 H new ATOM 0 HB3 GLU A 55 -0.286 7.118 14.681 1.00 20.03 H new ATOM 0 HG2 GLU A 55 2.222 6.930 15.018 1.00 32.13 H new ATOM 0 HG3 GLU A 55 2.430 7.797 13.509 1.00 32.13 H new ATOM 908 N GLY A 56 -1.383 5.543 11.798 1.00 21.12 N ATOM 909 CA GLY A 56 -2.705 5.101 11.392 1.00 1.14 C ATOM 910 C GLY A 56 -2.777 3.600 11.190 1.00 54.11 C ATOM 911 O GLY A 56 -3.740 2.956 11.610 1.00 2.41 O ATOM 0 H GLY A 56 -0.906 6.142 11.124 1.00 21.12 H new ATOM 0 HA2 GLY A 56 -3.432 5.398 12.148 1.00 1.14 H new ATOM 0 HA3 GLY A 56 -2.984 5.603 10.466 1.00 1.14 H new ATOM 915 N CYS A 57 -1.759 3.042 10.545 1.00 22.13 N ATOM 916 CA CYS A 57 -1.712 1.607 10.286 1.00 31.02 C ATOM 917 C CYS A 57 -1.530 0.826 11.583 1.00 41.32 C ATOM 918 O CYS A 57 -1.992 -0.307 11.706 1.00 33.32 O ATOM 919 CB CYS A 57 -0.577 1.280 9.315 1.00 51.32 C ATOM 920 SG CYS A 57 -1.132 0.641 7.717 1.00 34.43 S ATOM 0 H CYS A 57 -0.955 3.561 10.192 1.00 22.13 H new ATOM 0 HA CYS A 57 -2.660 1.313 9.837 1.00 31.02 H new ATOM 0 HB2 CYS A 57 0.015 2.180 9.148 1.00 51.32 H new ATOM 0 HB3 CYS A 57 0.083 0.546 9.778 1.00 51.32 H new ATOM 0 HG CYS A 57 -0.639 -0.547 7.530 1.00 34.43 H new ATOM 926 N GLN A 58 -0.850 1.441 12.547 1.00 35.34 N ATOM 927 CA GLN A 58 -0.605 0.801 13.834 1.00 22.11 C ATOM 928 C GLN A 58 -1.917 0.491 14.547 1.00 61.41 C ATOM 929 O GLN A 58 -2.065 -0.562 15.169 1.00 24.21 O ATOM 930 CB GLN A 58 0.268 1.697 14.714 1.00 4.05 C ATOM 931 CG GLN A 58 0.831 0.988 15.936 1.00 73.34 C ATOM 932 CD GLN A 58 1.909 1.794 16.634 1.00 55.22 C ATOM 933 OE1 GLN A 58 2.056 2.993 16.394 1.00 4.44 O ATOM 934 NE2 GLN A 58 2.669 1.139 17.503 1.00 71.10 N ATOM 0 H GLN A 58 -0.460 2.380 12.461 1.00 35.34 H new ATOM 0 HA GLN A 58 -0.082 -0.138 13.651 1.00 22.11 H new ATOM 0 HB2 GLN A 58 1.093 2.085 14.117 1.00 4.05 H new ATOM 0 HB3 GLN A 58 -0.320 2.555 15.041 1.00 4.05 H new ATOM 0 HG2 GLN A 58 0.022 0.785 16.638 1.00 73.34 H new ATOM 0 HG3 GLN A 58 1.241 0.024 15.635 1.00 73.34 H new ATOM 0 HE21 GLN A 58 2.512 0.145 17.671 1.00 71.10 H new ATOM 0 HE22 GLN A 58 3.410 1.629 18.003 1.00 71.10 H new ATOM 943 N LYS A 59 -2.868 1.413 14.454 1.00 54.22 N ATOM 944 CA LYS A 59 -4.169 1.240 15.089 1.00 63.51 C ATOM 945 C LYS A 59 -4.970 0.142 14.396 1.00 51.10 C ATOM 946 O LYS A 59 -5.920 -0.399 14.964 1.00 61.14 O ATOM 947 CB LYS A 59 -4.953 2.553 15.060 1.00 13.21 C ATOM 948 CG LYS A 59 -4.713 3.431 16.277 1.00 2.40 C ATOM 949 CD LYS A 59 -5.109 4.874 16.010 1.00 21.42 C ATOM 950 CE LYS A 59 -6.579 5.114 16.315 1.00 52.10 C ATOM 951 NZ LYS A 59 -7.162 6.171 15.442 1.00 63.31 N ATOM 0 H LYS A 59 -2.762 2.290 13.944 1.00 54.22 H new ATOM 0 HA LYS A 59 -4.003 0.946 16.126 1.00 63.51 H new ATOM 0 HB2 LYS A 59 -4.682 3.109 14.162 1.00 13.21 H new ATOM 0 HB3 LYS A 59 -6.017 2.330 14.988 1.00 13.21 H new ATOM 0 HG2 LYS A 59 -5.284 3.047 17.122 1.00 2.40 H new ATOM 0 HG3 LYS A 59 -3.660 3.387 16.557 1.00 2.40 H new ATOM 0 HD2 LYS A 59 -4.497 5.539 16.619 1.00 21.42 H new ATOM 0 HD3 LYS A 59 -4.908 5.121 14.968 1.00 21.42 H new ATOM 0 HE2 LYS A 59 -7.134 4.185 16.181 1.00 52.10 H new ATOM 0 HE3 LYS A 59 -6.690 5.404 17.360 1.00 52.10 H new ATOM 0 HZ1 LYS A 59 -8.165 6.305 15.681 1.00 63.31 H new ATOM 0 HZ2 LYS A 59 -6.649 7.064 15.588 1.00 63.31 H new ATOM 0 HZ3 LYS A 59 -7.079 5.883 14.446 1.00 63.31 H new ATOM 965 N ILE A 60 -4.581 -0.182 13.167 1.00 42.32 N ATOM 966 CA ILE A 60 -5.262 -1.217 12.399 1.00 72.03 C ATOM 967 C ILE A 60 -4.845 -2.609 12.861 1.00 52.14 C ATOM 968 O ILE A 60 -5.673 -3.516 12.961 1.00 11.43 O ATOM 969 CB ILE A 60 -4.974 -1.081 10.892 1.00 42.40 C ATOM 970 CG1 ILE A 60 -5.411 0.297 10.389 1.00 42.00 C ATOM 971 CG2 ILE A 60 -5.679 -2.183 10.116 1.00 34.23 C ATOM 972 CD1 ILE A 60 -4.974 0.589 8.971 1.00 32.31 C ATOM 0 H ILE A 60 -3.798 0.257 12.682 1.00 42.32 H new ATOM 0 HA ILE A 60 -6.330 -1.085 12.570 1.00 72.03 H new ATOM 0 HB ILE A 60 -3.901 -1.181 10.732 1.00 42.40 H new ATOM 0 HG12 ILE A 60 -6.497 0.369 10.448 1.00 42.00 H new ATOM 0 HG13 ILE A 60 -5.005 1.062 11.051 1.00 42.00 H new ATOM 0 HG21 ILE A 60 -5.466 -2.073 9.053 1.00 34.23 H new ATOM 0 HG22 ILE A 60 -5.323 -3.154 10.459 1.00 34.23 H new ATOM 0 HG23 ILE A 60 -6.754 -2.112 10.279 1.00 34.23 H new ATOM 0 HD11 ILE A 60 -5.318 1.582 8.681 1.00 32.31 H new ATOM 0 HD12 ILE A 60 -3.886 0.550 8.910 1.00 32.31 H new ATOM 0 HD13 ILE A 60 -5.402 -0.154 8.298 1.00 32.31 H new ATOM 984 N LEU A 61 -3.558 -2.771 13.143 1.00 64.22 N ATOM 985 CA LEU A 61 -3.029 -4.053 13.598 1.00 50.13 C ATOM 986 C LEU A 61 -3.649 -4.455 14.932 1.00 70.22 C ATOM 987 O LEU A 61 -3.997 -5.617 15.144 1.00 72.14 O ATOM 988 CB LEU A 61 -1.507 -3.983 13.729 1.00 10.40 C ATOM 989 CG LEU A 61 -0.720 -3.972 12.418 1.00 0.41 C ATOM 990 CD1 LEU A 61 0.764 -3.775 12.689 1.00 20.42 C ATOM 991 CD2 LEU A 61 -0.957 -5.259 11.643 1.00 51.43 C ATOM 0 H LEU A 61 -2.860 -2.031 13.065 1.00 64.22 H new ATOM 0 HA LEU A 61 -3.288 -4.808 12.856 1.00 50.13 H new ATOM 0 HB2 LEU A 61 -1.252 -3.084 14.290 1.00 10.40 H new ATOM 0 HB3 LEU A 61 -1.174 -4.835 14.322 1.00 10.40 H new ATOM 0 HG LEU A 61 -1.072 -3.137 11.812 1.00 0.41 H new ATOM 0 HD11 LEU A 61 1.309 -3.770 11.745 1.00 20.42 H new ATOM 0 HD12 LEU A 61 0.917 -2.825 13.202 1.00 20.42 H new ATOM 0 HD13 LEU A 61 1.131 -4.589 13.315 1.00 20.42 H new ATOM 0 HD21 LEU A 61 -0.389 -5.234 10.713 1.00 51.43 H new ATOM 0 HD22 LEU A 61 -0.633 -6.110 12.243 1.00 51.43 H new ATOM 0 HD23 LEU A 61 -2.019 -5.357 11.417 1.00 51.43 H new ATOM 1003 N THR A 62 -3.785 -3.485 15.831 1.00 12.43 N ATOM 1004 CA THR A 62 -4.364 -3.737 17.145 1.00 4.41 C ATOM 1005 C THR A 62 -5.831 -4.135 17.033 1.00 62.34 C ATOM 1006 O THR A 62 -6.347 -4.880 17.865 1.00 35.43 O ATOM 1007 CB THR A 62 -4.248 -2.500 18.057 1.00 63.35 C ATOM 1008 OG1 THR A 62 -4.047 -2.909 19.413 1.00 22.15 O ATOM 1009 CG2 THR A 62 -5.497 -1.638 17.961 1.00 63.23 C ATOM 0 H THR A 62 -3.502 -2.518 15.673 1.00 12.43 H new ATOM 0 HA THR A 62 -3.800 -4.559 17.586 1.00 4.41 H new ATOM 0 HB THR A 62 -3.393 -1.910 17.726 1.00 63.35 H new ATOM 0 HG1 THR A 62 -3.973 -2.117 19.986 1.00 22.15 H new ATOM 0 HG21 THR A 62 -5.392 -0.771 18.613 1.00 63.23 H new ATOM 0 HG22 THR A 62 -5.630 -1.304 16.932 1.00 63.23 H new ATOM 0 HG23 THR A 62 -6.366 -2.220 18.269 1.00 63.23 H new ATOM 1017 N VAL A 63 -6.498 -3.633 15.998 1.00 65.30 N ATOM 1018 CA VAL A 63 -7.906 -3.939 15.775 1.00 11.34 C ATOM 1019 C VAL A 63 -8.074 -5.292 15.094 1.00 1.31 C ATOM 1020 O VAL A 63 -8.988 -6.054 15.417 1.00 4.24 O ATOM 1021 CB VAL A 63 -8.587 -2.856 14.918 1.00 62.32 C ATOM 1022 CG1 VAL A 63 -10.031 -3.235 14.625 1.00 62.12 C ATOM 1023 CG2 VAL A 63 -8.511 -1.504 15.610 1.00 54.35 C ATOM 0 H VAL A 63 -6.086 -3.013 15.301 1.00 65.30 H new ATOM 0 HA VAL A 63 -8.382 -3.968 16.755 1.00 11.34 H new ATOM 0 HB VAL A 63 -8.057 -2.783 13.968 1.00 62.32 H new ATOM 0 HG11 VAL A 63 -10.495 -2.457 14.018 1.00 62.12 H new ATOM 0 HG12 VAL A 63 -10.056 -4.181 14.084 1.00 62.12 H new ATOM 0 HG13 VAL A 63 -10.577 -3.339 15.562 1.00 62.12 H new ATOM 0 HG21 VAL A 63 -8.997 -0.750 14.990 1.00 54.35 H new ATOM 0 HG22 VAL A 63 -9.015 -1.560 16.575 1.00 54.35 H new ATOM 0 HG23 VAL A 63 -7.467 -1.231 15.761 1.00 54.35 H new ATOM 1033 N LEU A 64 -7.188 -5.586 14.149 1.00 21.41 N ATOM 1034 CA LEU A 64 -7.237 -6.850 13.421 1.00 41.31 C ATOM 1035 C LEU A 64 -6.655 -7.984 14.258 1.00 30.11 C ATOM 1036 O LEU A 64 -6.932 -9.158 14.009 1.00 10.31 O ATOM 1037 CB LEU A 64 -6.473 -6.730 12.101 1.00 40.42 C ATOM 1038 CG LEU A 64 -7.067 -5.774 11.066 1.00 12.52 C ATOM 1039 CD1 LEU A 64 -6.267 -5.822 9.773 1.00 64.21 C ATOM 1040 CD2 LEU A 64 -8.528 -6.112 10.804 1.00 23.13 C ATOM 0 H LEU A 64 -6.427 -4.967 13.869 1.00 21.41 H new ATOM 0 HA LEU A 64 -8.281 -7.079 13.210 1.00 41.31 H new ATOM 0 HB2 LEU A 64 -5.455 -6.408 12.321 1.00 40.42 H new ATOM 0 HB3 LEU A 64 -6.404 -7.721 11.653 1.00 40.42 H new ATOM 0 HG LEU A 64 -7.015 -4.761 11.464 1.00 12.52 H new ATOM 0 HD11 LEU A 64 -6.705 -5.135 9.049 1.00 64.21 H new ATOM 0 HD12 LEU A 64 -5.236 -5.531 9.972 1.00 64.21 H new ATOM 0 HD13 LEU A 64 -6.286 -6.835 9.370 1.00 64.21 H new ATOM 0 HD21 LEU A 64 -8.934 -5.421 10.065 1.00 23.13 H new ATOM 0 HD22 LEU A 64 -8.604 -7.132 10.428 1.00 23.13 H new ATOM 0 HD23 LEU A 64 -9.094 -6.025 11.732 1.00 23.13 H new ATOM 1052 N ASP A 65 -5.849 -7.625 15.251 1.00 61.04 N ATOM 1053 CA ASP A 65 -5.230 -8.613 16.127 1.00 5.42 C ATOM 1054 C ASP A 65 -6.273 -9.578 16.682 1.00 42.43 C ATOM 1055 O ASP A 65 -6.215 -10.788 16.461 1.00 52.24 O ATOM 1056 CB ASP A 65 -4.498 -7.918 17.277 1.00 74.21 C ATOM 1057 CG ASP A 65 -4.519 -8.735 18.554 1.00 10.20 C ATOM 1058 OD1 ASP A 65 -4.179 -9.935 18.496 1.00 3.30 O ATOM 1059 OD2 ASP A 65 -4.876 -8.175 19.612 1.00 41.03 O ATOM 0 H ASP A 65 -5.609 -6.658 15.469 1.00 61.04 H new ATOM 0 HA ASP A 65 -4.511 -9.183 15.539 1.00 5.42 H new ATOM 0 HB2 ASP A 65 -3.464 -7.731 16.986 1.00 74.21 H new ATOM 0 HB3 ASP A 65 -4.958 -6.947 17.463 1.00 74.21 H new ATOM 1064 N PRO A 66 -7.251 -9.033 17.420 1.00 74.14 N ATOM 1065 CA PRO A 66 -8.325 -9.827 18.022 1.00 74.32 C ATOM 1066 C PRO A 66 -9.290 -10.383 16.978 1.00 5.22 C ATOM 1067 O PRO A 66 -10.045 -11.314 17.252 1.00 32.40 O ATOM 1068 CB PRO A 66 -9.042 -8.826 18.931 1.00 5.41 C ATOM 1069 CG PRO A 66 -8.757 -7.495 18.326 1.00 43.43 C ATOM 1070 CD PRO A 66 -7.383 -7.598 17.724 1.00 3.11 C ATOM 0 HA PRO A 66 -7.939 -10.700 18.548 1.00 74.32 H new ATOM 0 HB2 PRO A 66 -10.113 -9.023 18.969 1.00 5.41 H new ATOM 0 HB3 PRO A 66 -8.671 -8.884 19.954 1.00 5.41 H new ATOM 0 HG2 PRO A 66 -9.498 -7.245 17.566 1.00 43.43 H new ATOM 0 HG3 PRO A 66 -8.795 -6.708 19.079 1.00 43.43 H new ATOM 0 HD2 PRO A 66 -7.291 -6.987 16.826 1.00 3.11 H new ATOM 0 HD3 PRO A 66 -6.613 -7.262 18.419 1.00 3.11 H new ATOM 1078 N MET A 67 -9.257 -9.804 15.782 1.00 25.23 N ATOM 1079 CA MET A 67 -10.127 -10.244 14.698 1.00 40.54 C ATOM 1080 C MET A 67 -9.611 -11.537 14.076 1.00 22.50 C ATOM 1081 O MET A 67 -10.375 -12.301 13.485 1.00 44.03 O ATOM 1082 CB MET A 67 -10.231 -9.156 13.627 1.00 70.22 C ATOM 1083 CG MET A 67 -10.869 -7.870 14.126 1.00 41.51 C ATOM 1084 SD MET A 67 -12.670 -7.911 14.047 1.00 21.51 S ATOM 1085 CE MET A 67 -13.095 -7.064 15.567 1.00 22.14 C ATOM 0 H MET A 67 -8.638 -9.030 15.540 1.00 25.23 H new ATOM 0 HA MET A 67 -11.117 -10.432 15.114 1.00 40.54 H new ATOM 0 HB2 MET A 67 -9.233 -8.934 13.249 1.00 70.22 H new ATOM 0 HB3 MET A 67 -10.812 -9.538 12.788 1.00 70.22 H new ATOM 0 HG2 MET A 67 -10.558 -7.691 15.155 1.00 41.51 H new ATOM 0 HG3 MET A 67 -10.502 -7.033 13.532 1.00 41.51 H new ATOM 0 HE1 MET A 67 -14.179 -7.009 15.662 1.00 22.14 H new ATOM 0 HE2 MET A 67 -12.683 -7.611 16.415 1.00 22.14 H new ATOM 0 HE3 MET A 67 -12.681 -6.056 15.550 1.00 22.14 H new ATOM 1095 N VAL A 68 -8.311 -11.778 14.215 1.00 72.31 N ATOM 1096 CA VAL A 68 -7.693 -12.980 13.667 1.00 10.04 C ATOM 1097 C VAL A 68 -8.378 -14.237 14.192 1.00 75.41 C ATOM 1098 O VAL A 68 -8.888 -15.060 13.431 1.00 44.32 O ATOM 1099 CB VAL A 68 -6.194 -13.046 14.010 1.00 23.22 C ATOM 1100 CG1 VAL A 68 -5.726 -14.491 14.086 1.00 22.44 C ATOM 1101 CG2 VAL A 68 -5.379 -12.267 12.988 1.00 31.11 C ATOM 0 H VAL A 68 -7.665 -11.157 14.702 1.00 72.31 H new ATOM 0 HA VAL A 68 -7.809 -12.931 12.584 1.00 10.04 H new ATOM 0 HB VAL A 68 -6.043 -12.588 14.988 1.00 23.22 H new ATOM 0 HG11 VAL A 68 -4.664 -14.517 14.329 1.00 22.44 H new ATOM 0 HG12 VAL A 68 -6.288 -15.015 14.859 1.00 22.44 H new ATOM 0 HG13 VAL A 68 -5.890 -14.978 13.124 1.00 22.44 H new ATOM 0 HG21 VAL A 68 -4.322 -12.324 13.246 1.00 31.11 H new ATOM 0 HG22 VAL A 68 -5.534 -12.694 11.997 1.00 31.11 H new ATOM 0 HG23 VAL A 68 -5.696 -11.224 12.988 1.00 31.11 H new ATOM 1111 N PRO A 69 -8.395 -14.391 15.524 1.00 44.24 N ATOM 1112 CA PRO A 69 -9.016 -15.545 16.180 1.00 10.03 C ATOM 1113 C PRO A 69 -10.537 -15.528 16.066 1.00 2.23 C ATOM 1114 O PRO A 69 -11.218 -16.420 16.571 1.00 62.11 O ATOM 1115 CB PRO A 69 -8.588 -15.394 17.643 1.00 60.34 C ATOM 1116 CG PRO A 69 -8.334 -13.936 17.815 1.00 42.21 C ATOM 1117 CD PRO A 69 -7.808 -13.449 16.492 1.00 70.10 C ATOM 0 HA PRO A 69 -8.707 -16.487 15.726 1.00 10.03 H new ATOM 0 HB2 PRO A 69 -9.367 -15.743 18.321 1.00 60.34 H new ATOM 0 HB3 PRO A 69 -7.694 -15.980 17.856 1.00 60.34 H new ATOM 0 HG2 PRO A 69 -9.249 -13.410 18.089 1.00 42.21 H new ATOM 0 HG3 PRO A 69 -7.612 -13.757 18.612 1.00 42.21 H new ATOM 0 HD2 PRO A 69 -8.115 -12.423 16.291 1.00 70.10 H new ATOM 0 HD3 PRO A 69 -6.719 -13.468 16.461 1.00 70.10 H new ATOM 1125 N THR A 70 -11.063 -14.506 15.398 1.00 14.34 N ATOM 1126 CA THR A 70 -12.503 -14.373 15.219 1.00 73.04 C ATOM 1127 C THR A 70 -12.843 -13.961 13.790 1.00 11.31 C ATOM 1128 O THR A 70 -13.802 -13.225 13.557 1.00 22.35 O ATOM 1129 CB THR A 70 -13.099 -13.339 16.194 1.00 70.24 C ATOM 1130 OG1 THR A 70 -12.321 -13.295 17.395 1.00 31.34 O ATOM 1131 CG2 THR A 70 -14.542 -13.681 16.531 1.00 72.44 C ATOM 0 H THR A 70 -10.514 -13.759 14.973 1.00 14.34 H new ATOM 0 HA THR A 70 -12.938 -15.350 15.427 1.00 73.04 H new ATOM 0 HB THR A 70 -13.078 -12.362 15.711 1.00 70.24 H new ATOM 0 HG1 THR A 70 -11.599 -12.640 17.293 1.00 31.34 H new ATOM 0 HG21 THR A 70 -14.941 -12.937 17.221 1.00 72.44 H new ATOM 0 HG22 THR A 70 -15.138 -13.686 15.618 1.00 72.44 H new ATOM 0 HG23 THR A 70 -14.583 -14.666 16.996 1.00 72.44 H new ATOM 1139 N GLY A 71 -12.051 -14.442 12.837 1.00 52.02 N ATOM 1140 CA GLY A 71 -12.286 -14.113 11.442 1.00 22.24 C ATOM 1141 C GLY A 71 -11.794 -15.194 10.501 1.00 21.41 C ATOM 1142 O GLY A 71 -11.222 -16.193 10.937 1.00 3.12 O ATOM 0 H GLY A 71 -11.252 -15.053 13.005 1.00 52.02 H new ATOM 0 HA2 GLY A 71 -13.353 -13.956 11.284 1.00 22.24 H new ATOM 0 HA3 GLY A 71 -11.787 -13.174 11.204 1.00 22.24 H new ATOM 1146 N SER A 72 -12.018 -14.996 9.206 1.00 71.40 N ATOM 1147 CA SER A 72 -11.598 -15.966 8.201 1.00 13.12 C ATOM 1148 C SER A 72 -10.528 -15.373 7.288 1.00 53.31 C ATOM 1149 O SER A 72 -9.974 -14.312 7.573 1.00 63.21 O ATOM 1150 CB SER A 72 -12.798 -16.422 7.370 1.00 74.13 C ATOM 1151 OG SER A 72 -12.972 -15.598 6.231 1.00 54.43 O ATOM 0 H SER A 72 -12.488 -14.173 8.828 1.00 71.40 H new ATOM 0 HA SER A 72 -11.174 -16.827 8.717 1.00 13.12 H new ATOM 0 HB2 SER A 72 -12.655 -17.456 7.056 1.00 74.13 H new ATOM 0 HB3 SER A 72 -13.699 -16.396 7.982 1.00 74.13 H new ATOM 0 HG SER A 72 -13.744 -15.911 5.716 1.00 54.43 H new ATOM 1157 N GLU A 73 -10.244 -16.067 6.191 1.00 34.53 N ATOM 1158 CA GLU A 73 -9.241 -15.611 5.237 1.00 21.21 C ATOM 1159 C GLU A 73 -9.522 -14.178 4.795 1.00 15.01 C ATOM 1160 O GLU A 73 -8.605 -13.370 4.650 1.00 73.44 O ATOM 1161 CB GLU A 73 -9.207 -16.534 4.017 1.00 24.32 C ATOM 1162 CG GLU A 73 -7.825 -17.089 3.713 1.00 61.25 C ATOM 1163 CD GLU A 73 -7.817 -18.002 2.502 1.00 53.14 C ATOM 1164 OE1 GLU A 73 -8.332 -17.588 1.442 1.00 32.32 O ATOM 1165 OE2 GLU A 73 -7.295 -19.131 2.614 1.00 31.33 O ATOM 0 H GLU A 73 -10.695 -16.947 5.941 1.00 34.53 H new ATOM 0 HA GLU A 73 -8.270 -15.637 5.731 1.00 21.21 H new ATOM 0 HB2 GLU A 73 -9.895 -17.364 4.180 1.00 24.32 H new ATOM 0 HB3 GLU A 73 -9.569 -15.986 3.147 1.00 24.32 H new ATOM 0 HG2 GLU A 73 -7.134 -16.263 3.545 1.00 61.25 H new ATOM 0 HG3 GLU A 73 -7.459 -17.639 4.580 1.00 61.25 H new ATOM 1172 N ASN A 74 -10.798 -13.870 4.584 1.00 43.21 N ATOM 1173 CA ASN A 74 -11.201 -12.535 4.157 1.00 33.01 C ATOM 1174 C ASN A 74 -10.728 -11.480 5.152 1.00 45.31 C ATOM 1175 O ASN A 74 -10.600 -10.303 4.813 1.00 51.45 O ATOM 1176 CB ASN A 74 -12.722 -12.463 4.006 1.00 15.00 C ATOM 1177 CG ASN A 74 -13.237 -13.363 2.900 1.00 31.51 C ATOM 1178 OD1 ASN A 74 -12.702 -14.448 2.668 1.00 60.50 O ATOM 1179 ND2 ASN A 74 -14.280 -12.916 2.210 1.00 64.42 N ATOM 0 H ASN A 74 -11.570 -14.526 4.702 1.00 43.21 H new ATOM 0 HA ASN A 74 -10.736 -12.334 3.192 1.00 33.01 H new ATOM 0 HB2 ASN A 74 -13.192 -12.745 4.948 1.00 15.00 H new ATOM 0 HB3 ASN A 74 -13.015 -11.434 3.799 1.00 15.00 H new ATOM 0 HD21 ASN A 74 -14.670 -13.478 1.453 1.00 64.42 H new ATOM 0 HD22 ASN A 74 -14.692 -12.011 2.437 1.00 64.42 H new ATOM 1186 N LEU A 75 -10.469 -11.909 6.383 1.00 41.35 N ATOM 1187 CA LEU A 75 -10.008 -11.001 7.428 1.00 31.31 C ATOM 1188 C LEU A 75 -8.501 -11.125 7.631 1.00 63.41 C ATOM 1189 O LEU A 75 -7.785 -10.125 7.675 1.00 53.34 O ATOM 1190 CB LEU A 75 -10.737 -11.294 8.741 1.00 4.52 C ATOM 1191 CG LEU A 75 -10.643 -10.209 9.815 1.00 2.24 C ATOM 1192 CD1 LEU A 75 -11.967 -10.071 10.550 1.00 50.01 C ATOM 1193 CD2 LEU A 75 -9.518 -10.522 10.792 1.00 53.00 C ATOM 0 H LEU A 75 -10.570 -12.879 6.682 1.00 41.35 H new ATOM 0 HA LEU A 75 -10.231 -9.981 7.115 1.00 31.31 H new ATOM 0 HB2 LEU A 75 -11.790 -11.467 8.518 1.00 4.52 H new ATOM 0 HB3 LEU A 75 -10.342 -12.222 9.154 1.00 4.52 H new ATOM 0 HG LEU A 75 -10.420 -9.260 9.328 1.00 2.24 H new ATOM 0 HD11 LEU A 75 -11.882 -9.295 11.310 1.00 50.01 H new ATOM 0 HD12 LEU A 75 -12.750 -9.801 9.842 1.00 50.01 H new ATOM 0 HD13 LEU A 75 -12.220 -11.019 11.026 1.00 50.01 H new ATOM 0 HD21 LEU A 75 -9.466 -9.740 11.549 1.00 53.00 H new ATOM 0 HD22 LEU A 75 -9.710 -11.481 11.273 1.00 53.00 H new ATOM 0 HD23 LEU A 75 -8.571 -10.570 10.254 1.00 53.00 H new ATOM 1205 N LYS A 76 -8.025 -12.360 7.753 1.00 42.33 N ATOM 1206 CA LYS A 76 -6.603 -12.616 7.947 1.00 24.45 C ATOM 1207 C LYS A 76 -5.780 -11.997 6.823 1.00 64.23 C ATOM 1208 O LYS A 76 -4.696 -11.461 7.057 1.00 51.23 O ATOM 1209 CB LYS A 76 -6.340 -14.122 8.017 1.00 22.51 C ATOM 1210 CG LYS A 76 -6.048 -14.625 9.421 1.00 45.42 C ATOM 1211 CD LYS A 76 -6.616 -16.015 9.645 1.00 20.12 C ATOM 1212 CE LYS A 76 -7.871 -15.973 10.505 1.00 41.45 C ATOM 1213 NZ LYS A 76 -8.627 -17.255 10.446 1.00 2.24 N ATOM 0 H LYS A 76 -8.604 -13.199 7.721 1.00 42.33 H new ATOM 0 HA LYS A 76 -6.302 -12.157 8.888 1.00 24.45 H new ATOM 0 HB2 LYS A 76 -7.207 -14.652 7.623 1.00 22.51 H new ATOM 0 HB3 LYS A 76 -5.497 -14.365 7.370 1.00 22.51 H new ATOM 0 HG2 LYS A 76 -4.971 -14.640 9.586 1.00 45.42 H new ATOM 0 HG3 LYS A 76 -6.472 -13.936 10.151 1.00 45.42 H new ATOM 0 HD2 LYS A 76 -6.848 -16.474 8.684 1.00 20.12 H new ATOM 0 HD3 LYS A 76 -5.865 -16.643 10.125 1.00 20.12 H new ATOM 0 HE2 LYS A 76 -7.596 -15.761 11.538 1.00 41.45 H new ATOM 0 HE3 LYS A 76 -8.513 -15.157 10.172 1.00 41.45 H new ATOM 0 HZ1 LYS A 76 -9.637 -17.071 10.614 1.00 2.24 H new ATOM 0 HZ2 LYS A 76 -8.505 -17.687 9.508 1.00 2.24 H new ATOM 0 HZ3 LYS A 76 -8.268 -17.904 11.175 1.00 2.24 H new ATOM 1227 N SER A 77 -6.300 -12.074 5.603 1.00 53.24 N ATOM 1228 CA SER A 77 -5.612 -11.523 4.441 1.00 12.43 C ATOM 1229 C SER A 77 -5.215 -10.070 4.684 1.00 44.24 C ATOM 1230 O SER A 77 -4.097 -9.659 4.369 1.00 65.24 O ATOM 1231 CB SER A 77 -6.503 -11.619 3.201 1.00 30.41 C ATOM 1232 OG SER A 77 -6.178 -12.762 2.427 1.00 15.43 O ATOM 0 H SER A 77 -7.196 -12.513 5.393 1.00 53.24 H new ATOM 0 HA SER A 77 -4.707 -12.107 4.275 1.00 12.43 H new ATOM 0 HB2 SER A 77 -7.549 -11.666 3.504 1.00 30.41 H new ATOM 0 HB3 SER A 77 -6.387 -10.720 2.595 1.00 30.41 H new ATOM 0 HG SER A 77 -6.762 -12.802 1.641 1.00 15.43 H new ATOM 1238 N LEU A 78 -6.137 -9.297 5.246 1.00 40.14 N ATOM 1239 CA LEU A 78 -5.885 -7.889 5.532 1.00 4.43 C ATOM 1240 C LEU A 78 -4.826 -7.736 6.619 1.00 1.11 C ATOM 1241 O LEU A 78 -3.921 -6.909 6.507 1.00 45.35 O ATOM 1242 CB LEU A 78 -7.178 -7.195 5.962 1.00 24.32 C ATOM 1243 CG LEU A 78 -7.034 -5.760 6.467 1.00 14.33 C ATOM 1244 CD1 LEU A 78 -6.685 -4.824 5.320 1.00 43.41 C ATOM 1245 CD2 LEU A 78 -8.312 -5.306 7.157 1.00 12.15 C ATOM 0 H LEU A 78 -7.066 -9.621 5.513 1.00 40.14 H new ATOM 0 HA LEU A 78 -5.515 -7.419 4.621 1.00 4.43 H new ATOM 0 HB2 LEU A 78 -7.865 -7.194 5.116 1.00 24.32 H new ATOM 0 HB3 LEU A 78 -7.642 -7.791 6.748 1.00 24.32 H new ATOM 0 HG LEU A 78 -6.222 -5.731 7.194 1.00 14.33 H new ATOM 0 HD11 LEU A 78 -6.586 -3.806 5.698 1.00 43.41 H new ATOM 0 HD12 LEU A 78 -5.743 -5.137 4.869 1.00 43.41 H new ATOM 0 HD13 LEU A 78 -7.475 -4.857 4.570 1.00 43.41 H new ATOM 0 HD21 LEU A 78 -8.191 -4.282 7.510 1.00 12.15 H new ATOM 0 HD22 LEU A 78 -9.142 -5.351 6.452 1.00 12.15 H new ATOM 0 HD23 LEU A 78 -8.520 -5.960 8.004 1.00 12.15 H new ATOM 1257 N PHE A 79 -4.944 -8.540 7.671 1.00 13.02 N ATOM 1258 CA PHE A 79 -3.996 -8.495 8.778 1.00 11.41 C ATOM 1259 C PHE A 79 -2.561 -8.587 8.270 1.00 44.33 C ATOM 1260 O PHE A 79 -1.684 -7.849 8.719 1.00 61.32 O ATOM 1261 CB PHE A 79 -4.274 -9.632 9.763 1.00 75.22 C ATOM 1262 CG PHE A 79 -3.573 -9.470 11.080 1.00 25.51 C ATOM 1263 CD1 PHE A 79 -3.581 -8.252 11.739 1.00 5.23 C ATOM 1264 CD2 PHE A 79 -2.904 -10.537 11.660 1.00 40.21 C ATOM 1265 CE1 PHE A 79 -2.936 -8.100 12.952 1.00 14.44 C ATOM 1266 CE2 PHE A 79 -2.258 -10.391 12.872 1.00 11.31 C ATOM 1267 CZ PHE A 79 -2.273 -9.170 13.519 1.00 74.30 C ATOM 0 H PHE A 79 -5.687 -9.230 7.780 1.00 13.02 H new ATOM 0 HA PHE A 79 -4.121 -7.541 9.291 1.00 11.41 H new ATOM 0 HB2 PHE A 79 -5.348 -9.696 9.938 1.00 75.22 H new ATOM 0 HB3 PHE A 79 -3.968 -10.576 9.312 1.00 75.22 H new ATOM 0 HD1 PHE A 79 -4.097 -7.411 11.300 1.00 5.23 H new ATOM 0 HD2 PHE A 79 -2.888 -11.493 11.158 1.00 40.21 H new ATOM 0 HE1 PHE A 79 -2.951 -7.145 13.456 1.00 14.44 H new ATOM 0 HE2 PHE A 79 -1.742 -11.230 13.314 1.00 11.31 H new ATOM 0 HZ PHE A 79 -1.767 -9.053 14.466 1.00 74.30 H new ATOM 1277 N ASN A 80 -2.330 -9.497 7.330 1.00 22.14 N ATOM 1278 CA ASN A 80 -1.001 -9.687 6.760 1.00 24.24 C ATOM 1279 C ASN A 80 -0.605 -8.497 5.893 1.00 42.43 C ATOM 1280 O ASN A 80 0.553 -8.077 5.883 1.00 73.21 O ATOM 1281 CB ASN A 80 -0.957 -10.974 5.933 1.00 43.33 C ATOM 1282 CG ASN A 80 -0.681 -12.199 6.783 1.00 41.43 C ATOM 1283 OD1 ASN A 80 -1.128 -12.288 7.927 1.00 44.24 O ATOM 1284 ND2 ASN A 80 0.058 -13.151 6.225 1.00 65.21 N ATOM 0 H ASN A 80 -3.046 -10.115 6.947 1.00 22.14 H new ATOM 0 HA ASN A 80 -0.289 -9.767 7.581 1.00 24.24 H new ATOM 0 HB2 ASN A 80 -1.907 -11.102 5.414 1.00 43.33 H new ATOM 0 HB3 ASN A 80 -0.186 -10.885 5.168 1.00 43.33 H new ATOM 0 HD21 ASN A 80 0.276 -13.999 6.748 1.00 65.21 H new ATOM 0 HD22 ASN A 80 0.407 -13.034 5.274 1.00 65.21 H new ATOM 1291 N THR A 81 -1.576 -7.955 5.163 1.00 33.03 N ATOM 1292 CA THR A 81 -1.330 -6.813 4.292 1.00 53.35 C ATOM 1293 C THR A 81 -0.989 -5.567 5.100 1.00 33.14 C ATOM 1294 O THR A 81 -0.132 -4.775 4.708 1.00 22.32 O ATOM 1295 CB THR A 81 -2.550 -6.515 3.400 1.00 55.31 C ATOM 1296 OG1 THR A 81 -2.871 -7.663 2.607 1.00 41.23 O ATOM 1297 CG2 THR A 81 -2.279 -5.324 2.492 1.00 60.52 C ATOM 0 H THR A 81 -2.540 -8.289 5.158 1.00 33.03 H new ATOM 0 HA THR A 81 -0.481 -7.075 3.660 1.00 53.35 H new ATOM 0 HB THR A 81 -3.394 -6.274 4.047 1.00 55.31 H new ATOM 0 HG1 THR A 81 -3.267 -8.354 3.178 1.00 41.23 H new ATOM 0 HG21 THR A 81 -3.155 -5.133 1.872 1.00 60.52 H new ATOM 0 HG22 THR A 81 -2.066 -4.445 3.099 1.00 60.52 H new ATOM 0 HG23 THR A 81 -1.422 -5.541 1.854 1.00 60.52 H new ATOM 1305 N VAL A 82 -1.665 -5.398 6.232 1.00 52.35 N ATOM 1306 CA VAL A 82 -1.432 -4.248 7.097 1.00 13.14 C ATOM 1307 C VAL A 82 0.012 -4.210 7.583 1.00 32.33 C ATOM 1308 O VAL A 82 0.557 -3.141 7.860 1.00 51.54 O ATOM 1309 CB VAL A 82 -2.372 -4.264 8.317 1.00 11.15 C ATOM 1310 CG1 VAL A 82 -2.139 -3.039 9.188 1.00 40.32 C ATOM 1311 CG2 VAL A 82 -3.824 -4.342 7.870 1.00 75.03 C ATOM 0 H VAL A 82 -2.378 -6.043 6.571 1.00 52.35 H new ATOM 0 HA VAL A 82 -1.636 -3.358 6.502 1.00 13.14 H new ATOM 0 HB VAL A 82 -2.151 -5.150 8.912 1.00 11.15 H new ATOM 0 HG11 VAL A 82 -2.812 -3.068 10.045 1.00 40.32 H new ATOM 0 HG12 VAL A 82 -1.107 -3.032 9.538 1.00 40.32 H new ATOM 0 HG13 VAL A 82 -2.331 -2.137 8.606 1.00 40.32 H new ATOM 0 HG21 VAL A 82 -4.474 -4.352 8.745 1.00 75.03 H new ATOM 0 HG22 VAL A 82 -4.061 -3.476 7.252 1.00 75.03 H new ATOM 0 HG23 VAL A 82 -3.978 -5.253 7.292 1.00 75.03 H new ATOM 1321 N CYS A 83 0.628 -5.382 7.685 1.00 75.54 N ATOM 1322 CA CYS A 83 2.010 -5.484 8.137 1.00 11.25 C ATOM 1323 C CYS A 83 2.965 -4.893 7.106 1.00 71.11 C ATOM 1324 O CYS A 83 3.926 -4.206 7.454 1.00 20.42 O ATOM 1325 CB CYS A 83 2.374 -6.945 8.409 1.00 14.45 C ATOM 1326 SG CYS A 83 1.949 -7.514 10.073 1.00 54.53 S ATOM 0 H CYS A 83 0.191 -6.276 7.460 1.00 75.54 H new ATOM 0 HA CYS A 83 2.106 -4.915 9.062 1.00 11.25 H new ATOM 0 HB2 CYS A 83 1.866 -7.577 7.680 1.00 14.45 H new ATOM 0 HB3 CYS A 83 3.445 -7.076 8.254 1.00 14.45 H new ATOM 0 HG CYS A 83 2.293 -8.761 10.206 1.00 54.53 H new ATOM 1332 N VAL A 84 2.696 -5.167 5.833 1.00 54.34 N ATOM 1333 CA VAL A 84 3.531 -4.662 4.749 1.00 72.51 C ATOM 1334 C VAL A 84 3.427 -3.146 4.634 1.00 75.10 C ATOM 1335 O VAL A 84 4.437 -2.450 4.532 1.00 13.32 O ATOM 1336 CB VAL A 84 3.144 -5.296 3.400 1.00 35.52 C ATOM 1337 CG1 VAL A 84 3.986 -4.717 2.275 1.00 0.53 C ATOM 1338 CG2 VAL A 84 3.289 -6.810 3.462 1.00 44.11 C ATOM 0 H VAL A 84 1.906 -5.736 5.527 1.00 54.34 H new ATOM 0 HA VAL A 84 4.559 -4.935 4.989 1.00 72.51 H new ATOM 0 HB VAL A 84 2.099 -5.062 3.195 1.00 35.52 H new ATOM 0 HG11 VAL A 84 3.697 -5.178 1.330 1.00 0.53 H new ATOM 0 HG12 VAL A 84 3.826 -3.640 2.218 1.00 0.53 H new ATOM 0 HG13 VAL A 84 5.040 -4.917 2.469 1.00 0.53 H new ATOM 0 HG21 VAL A 84 3.011 -7.242 2.500 1.00 44.11 H new ATOM 0 HG22 VAL A 84 4.323 -7.067 3.690 1.00 44.11 H new ATOM 0 HG23 VAL A 84 2.636 -7.206 4.240 1.00 44.11 H new ATOM 1348 N ILE A 85 2.197 -2.640 4.652 1.00 65.21 N ATOM 1349 CA ILE A 85 1.961 -1.206 4.552 1.00 40.23 C ATOM 1350 C ILE A 85 2.664 -0.452 5.676 1.00 63.32 C ATOM 1351 O ILE A 85 3.507 0.410 5.428 1.00 74.10 O ATOM 1352 CB ILE A 85 0.457 -0.878 4.592 1.00 62.30 C ATOM 1353 CG1 ILE A 85 -0.272 -1.590 3.450 1.00 32.44 C ATOM 1354 CG2 ILE A 85 0.239 0.625 4.510 1.00 22.12 C ATOM 1355 CD1 ILE A 85 0.032 -1.013 2.086 1.00 53.23 C ATOM 0 H ILE A 85 1.350 -3.202 4.735 1.00 65.21 H new ATOM 0 HA ILE A 85 2.369 -0.887 3.593 1.00 40.23 H new ATOM 0 HB ILE A 85 0.048 -1.233 5.538 1.00 62.30 H new ATOM 0 HG12 ILE A 85 0.001 -2.645 3.458 1.00 32.44 H new ATOM 0 HG13 ILE A 85 -1.346 -1.537 3.627 1.00 32.44 H new ATOM 0 HG21 ILE A 85 -0.829 0.840 4.539 1.00 22.12 H new ATOM 0 HG22 ILE A 85 0.730 1.110 5.353 1.00 22.12 H new ATOM 0 HG23 ILE A 85 0.660 1.003 3.578 1.00 22.12 H new ATOM 0 HD11 ILE A 85 -0.519 -1.567 1.326 1.00 53.23 H new ATOM 0 HD12 ILE A 85 -0.267 0.035 2.059 1.00 53.23 H new ATOM 0 HD13 ILE A 85 1.101 -1.091 1.888 1.00 53.23 H new ATOM 1367 N TRP A 86 2.312 -0.785 6.913 1.00 21.22 N ATOM 1368 CA TRP A 86 2.911 -0.141 8.077 1.00 14.32 C ATOM 1369 C TRP A 86 4.431 -0.117 7.963 1.00 11.33 C ATOM 1370 O TRP A 86 5.065 0.908 8.218 1.00 74.32 O ATOM 1371 CB TRP A 86 2.493 -0.866 9.357 1.00 64.33 C ATOM 1372 CG TRP A 86 3.012 -0.216 10.604 1.00 3.10 C ATOM 1373 CD1 TRP A 86 2.363 0.700 11.382 1.00 61.23 C ATOM 1374 CD2 TRP A 86 4.289 -0.431 11.215 1.00 31.32 C ATOM 1375 NE1 TRP A 86 3.159 1.067 12.440 1.00 52.33 N ATOM 1376 CE2 TRP A 86 4.345 0.386 12.361 1.00 41.42 C ATOM 1377 CE3 TRP A 86 5.388 -1.237 10.909 1.00 45.21 C ATOM 1378 CZ2 TRP A 86 5.458 0.422 13.197 1.00 64.34 C ATOM 1379 CZ3 TRP A 86 6.493 -1.201 11.739 1.00 74.34 C ATOM 1380 CH2 TRP A 86 6.521 -0.378 12.872 1.00 51.52 C ATOM 0 H TRP A 86 1.616 -1.496 7.136 1.00 21.22 H new ATOM 0 HA TRP A 86 2.553 0.888 8.118 1.00 14.32 H new ATOM 0 HB2 TRP A 86 1.405 -0.908 9.404 1.00 64.33 H new ATOM 0 HB3 TRP A 86 2.850 -1.895 9.316 1.00 64.33 H new ATOM 0 HD1 TRP A 86 1.370 1.080 11.193 1.00 61.23 H new ATOM 0 HE1 TRP A 86 2.908 1.738 13.166 1.00 52.33 H new ATOM 0 HE3 TRP A 86 5.375 -1.877 10.039 1.00 45.21 H new ATOM 0 HZ2 TRP A 86 5.482 1.058 14.070 1.00 64.34 H new ATOM 0 HZ3 TRP A 86 7.349 -1.818 11.510 1.00 74.34 H new ATOM 0 HH2 TRP A 86 7.398 -0.374 13.502 1.00 51.52 H new ATOM 1391 N CYS A 87 5.010 -1.250 7.582 1.00 73.13 N ATOM 1392 CA CYS A 87 6.457 -1.358 7.436 1.00 54.34 C ATOM 1393 C CYS A 87 7.000 -0.236 6.556 1.00 22.44 C ATOM 1394 O CYS A 87 7.927 0.476 6.943 1.00 61.54 O ATOM 1395 CB CYS A 87 6.831 -2.716 6.840 1.00 31.03 C ATOM 1396 SG CYS A 87 6.984 -4.040 8.061 1.00 75.21 S ATOM 0 H CYS A 87 4.500 -2.107 7.369 1.00 73.13 H new ATOM 0 HA CYS A 87 6.905 -1.268 8.426 1.00 54.34 H new ATOM 0 HB2 CYS A 87 6.077 -2.999 6.106 1.00 31.03 H new ATOM 0 HB3 CYS A 87 7.776 -2.618 6.305 1.00 31.03 H new ATOM 0 HG CYS A 87 5.843 -4.652 8.183 1.00 75.21 H new ATOM 1402 N ILE A 88 6.417 -0.086 5.372 1.00 62.13 N ATOM 1403 CA ILE A 88 6.843 0.949 4.437 1.00 75.30 C ATOM 1404 C ILE A 88 6.883 2.315 5.112 1.00 43.53 C ATOM 1405 O ILE A 88 7.766 3.130 4.836 1.00 40.33 O ATOM 1406 CB ILE A 88 5.911 1.020 3.213 1.00 53.10 C ATOM 1407 CG1 ILE A 88 5.904 -0.318 2.471 1.00 13.41 C ATOM 1408 CG2 ILE A 88 6.342 2.145 2.284 1.00 31.23 C ATOM 1409 CD1 ILE A 88 4.621 -0.584 1.716 1.00 15.23 C ATOM 0 H ILE A 88 5.649 -0.667 5.037 1.00 62.13 H new ATOM 0 HA ILE A 88 7.846 0.681 4.104 1.00 75.30 H new ATOM 0 HB ILE A 88 4.898 1.228 3.558 1.00 53.10 H new ATOM 0 HG12 ILE A 88 6.739 -0.340 1.771 1.00 13.41 H new ATOM 0 HG13 ILE A 88 6.068 -1.123 3.188 1.00 13.41 H new ATOM 0 HG21 ILE A 88 5.674 2.183 1.424 1.00 31.23 H new ATOM 0 HG22 ILE A 88 6.300 3.094 2.818 1.00 31.23 H new ATOM 0 HG23 ILE A 88 7.362 1.965 1.944 1.00 31.23 H new ATOM 0 HD11 ILE A 88 4.687 -1.549 1.214 1.00 15.23 H new ATOM 0 HD12 ILE A 88 3.784 -0.594 2.414 1.00 15.23 H new ATOM 0 HD13 ILE A 88 4.466 0.200 0.975 1.00 15.23 H new ATOM 1421 N HIS A 89 5.924 2.562 5.999 1.00 71.53 N ATOM 1422 CA HIS A 89 5.851 3.829 6.716 1.00 43.22 C ATOM 1423 C HIS A 89 6.912 3.895 7.810 1.00 13.22 C ATOM 1424 O HIS A 89 7.393 4.998 8.067 1.00 12.51 O ATOM 1425 CB HIS A 89 4.461 4.017 7.325 1.00 20.40 C ATOM 1426 CG HIS A 89 3.352 3.941 6.321 1.00 24.04 C ATOM 1427 ND1 HIS A 89 3.333 4.689 5.163 1.00 52.32 N ATOM 1428 CD2 HIS A 89 2.220 3.198 6.306 1.00 42.33 C ATOM 1429 CE1 HIS A 89 2.237 4.411 4.481 1.00 52.14 C ATOM 1430 NE2 HIS A 89 1.545 3.508 5.151 1.00 14.45 N ATOM 0 H HIS A 89 5.186 1.900 6.238 1.00 71.53 H new ATOM 0 HA HIS A 89 6.038 4.632 6.003 1.00 43.22 H new ATOM 0 HB2 HIS A 89 4.302 3.255 8.088 1.00 20.40 H new ATOM 0 HB3 HIS A 89 4.421 4.984 7.826 1.00 20.40 H new ATOM 0 HD2 HIS A 89 1.906 2.493 7.062 1.00 42.33 H new ATOM 0 HE1 HIS A 89 1.954 4.848 3.535 1.00 52.14 H new ATOM 0 HE2 HIS A 89 0.654 3.106 4.858 1.00 14.45 H new ATOM 1438 N ALA A 90 7.278 2.783 8.440 1.00 35.02 N ATOM 1439 CA ALA A 90 8.288 2.797 9.491 1.00 54.35 C ATOM 1440 C ALA A 90 9.687 2.624 8.909 1.00 11.43 C ATOM 1441 O ALA A 90 10.621 2.256 9.619 1.00 3.23 O ATOM 1442 CB ALA A 90 8.001 1.707 10.513 1.00 32.31 C ATOM 0 H ALA A 90 6.890 1.861 8.240 1.00 35.02 H new ATOM 0 HA ALA A 90 8.247 3.766 9.988 1.00 54.35 H new ATOM 0 HB1 ALA A 90 8.763 1.729 11.292 1.00 32.31 H new ATOM 0 HB2 ALA A 90 7.021 1.876 10.959 1.00 32.31 H new ATOM 0 HB3 ALA A 90 8.013 0.734 10.021 1.00 32.31 H new ATOM 1448 N GLU A 91 9.822 2.894 7.614 1.00 33.23 N ATOM 1449 CA GLU A 91 11.107 2.766 6.939 1.00 52.23 C ATOM 1450 C GLU A 91 11.536 1.305 6.854 1.00 34.32 C ATOM 1451 O GLU A 91 12.658 0.998 6.454 1.00 64.15 O ATOM 1452 CB GLU A 91 12.176 3.581 7.671 1.00 42.33 C ATOM 1453 CG GLU A 91 11.714 4.974 8.067 1.00 23.24 C ATOM 1454 CD GLU A 91 11.639 5.156 9.571 1.00 72.45 C ATOM 1455 OE1 GLU A 91 12.542 4.660 10.276 1.00 45.03 O ATOM 1456 OE2 GLU A 91 10.676 5.796 10.042 1.00 23.51 O ATOM 0 H GLU A 91 9.058 3.202 7.013 1.00 33.23 H new ATOM 0 HA GLU A 91 10.995 3.152 5.926 1.00 52.23 H new ATOM 0 HB2 GLU A 91 12.483 3.041 8.567 1.00 42.33 H new ATOM 0 HB3 GLU A 91 13.056 3.667 7.033 1.00 42.33 H new ATOM 0 HG2 GLU A 91 12.398 5.713 7.649 1.00 23.24 H new ATOM 0 HG3 GLU A 91 10.733 5.165 7.632 1.00 23.24 H new ATOM 1463 N GLU A 92 10.632 0.406 7.237 1.00 42.13 N ATOM 1464 CA GLU A 92 10.918 -1.023 7.206 1.00 75.32 C ATOM 1465 C GLU A 92 10.739 -1.583 5.797 1.00 33.22 C ATOM 1466 O GLU A 92 9.756 -1.286 5.119 1.00 74.14 O ATOM 1467 CB GLU A 92 10.006 -1.769 8.183 1.00 53.13 C ATOM 1468 CG GLU A 92 10.458 -1.676 9.629 1.00 5.32 C ATOM 1469 CD GLU A 92 11.633 -2.587 9.934 1.00 53.44 C ATOM 1470 OE1 GLU A 92 12.347 -2.971 8.984 1.00 10.25 O ATOM 1471 OE2 GLU A 92 11.836 -2.915 11.121 1.00 31.32 O ATOM 0 H GLU A 92 9.698 0.643 7.571 1.00 42.13 H new ATOM 0 HA GLU A 92 11.956 -1.167 7.507 1.00 75.32 H new ATOM 0 HB2 GLU A 92 8.995 -1.369 8.101 1.00 53.13 H new ATOM 0 HB3 GLU A 92 9.958 -2.819 7.893 1.00 53.13 H new ATOM 0 HG2 GLU A 92 10.734 -0.646 9.854 1.00 5.32 H new ATOM 0 HG3 GLU A 92 9.625 -1.933 10.283 1.00 5.32 H new ATOM 1478 N LYS A 93 11.698 -2.396 5.364 1.00 34.12 N ATOM 1479 CA LYS A 93 11.647 -2.999 4.038 1.00 62.33 C ATOM 1480 C LYS A 93 11.795 -4.515 4.124 1.00 25.23 C ATOM 1481 O LYS A 93 12.588 -5.028 4.913 1.00 42.12 O ATOM 1482 CB LYS A 93 12.749 -2.418 3.150 1.00 65.44 C ATOM 1483 CG LYS A 93 14.136 -2.506 3.764 1.00 4.23 C ATOM 1484 CD LYS A 93 15.197 -2.778 2.711 1.00 55.11 C ATOM 1485 CE LYS A 93 16.470 -1.993 2.986 1.00 0.22 C ATOM 1486 NZ LYS A 93 17.681 -2.714 2.507 1.00 24.35 N ATOM 0 H LYS A 93 12.519 -2.652 5.912 1.00 34.12 H new ATOM 0 HA LYS A 93 10.676 -2.771 3.599 1.00 62.33 H new ATOM 0 HB2 LYS A 93 12.750 -2.944 2.195 1.00 65.44 H new ATOM 0 HB3 LYS A 93 12.520 -1.373 2.938 1.00 65.44 H new ATOM 0 HG2 LYS A 93 14.366 -1.574 4.281 1.00 4.23 H new ATOM 0 HG3 LYS A 93 14.154 -3.298 4.512 1.00 4.23 H new ATOM 0 HD2 LYS A 93 15.424 -3.844 2.688 1.00 55.11 H new ATOM 0 HD3 LYS A 93 14.811 -2.513 1.727 1.00 55.11 H new ATOM 0 HE2 LYS A 93 16.410 -1.020 2.497 1.00 0.22 H new ATOM 0 HE3 LYS A 93 16.558 -1.807 4.056 1.00 0.22 H new ATOM 0 HZ1 LYS A 93 18.527 -2.146 2.713 1.00 24.35 H new ATOM 0 HZ2 LYS A 93 17.753 -3.631 2.992 1.00 24.35 H new ATOM 0 HZ3 LYS A 93 17.610 -2.869 1.481 1.00 24.35 H new ATOM 1500 N VAL A 94 11.027 -5.228 3.306 1.00 55.13 N ATOM 1501 CA VAL A 94 11.074 -6.684 3.288 1.00 24.43 C ATOM 1502 C VAL A 94 11.098 -7.216 1.859 1.00 51.42 C ATOM 1503 O VAL A 94 10.577 -6.584 0.941 1.00 51.11 O ATOM 1504 CB VAL A 94 9.871 -7.294 4.031 1.00 74.32 C ATOM 1505 CG1 VAL A 94 9.777 -6.738 5.443 1.00 10.45 C ATOM 1506 CG2 VAL A 94 8.584 -7.038 3.261 1.00 11.31 C ATOM 0 H VAL A 94 10.364 -4.820 2.647 1.00 55.13 H new ATOM 0 HA VAL A 94 11.992 -6.977 3.797 1.00 24.43 H new ATOM 0 HB VAL A 94 10.018 -8.372 4.100 1.00 74.32 H new ATOM 0 HG11 VAL A 94 8.921 -7.181 5.952 1.00 10.45 H new ATOM 0 HG12 VAL A 94 10.689 -6.978 5.990 1.00 10.45 H new ATOM 0 HG13 VAL A 94 9.654 -5.656 5.400 1.00 10.45 H new ATOM 0 HG21 VAL A 94 7.744 -7.476 3.800 1.00 11.31 H new ATOM 0 HG22 VAL A 94 8.429 -5.964 3.158 1.00 11.31 H new ATOM 0 HG23 VAL A 94 8.656 -7.491 2.272 1.00 11.31 H new ATOM 1516 N LYS A 95 11.707 -8.384 1.678 1.00 1.54 N ATOM 1517 CA LYS A 95 11.798 -9.004 0.361 1.00 13.43 C ATOM 1518 C LYS A 95 10.477 -9.662 -0.023 1.00 30.12 C ATOM 1519 O LYS A 95 10.025 -9.550 -1.162 1.00 32.23 O ATOM 1520 CB LYS A 95 12.923 -10.041 0.340 1.00 12.33 C ATOM 1521 CG LYS A 95 12.750 -11.145 1.369 1.00 63.42 C ATOM 1522 CD LYS A 95 13.952 -12.075 1.396 1.00 45.40 C ATOM 1523 CE LYS A 95 13.715 -13.267 2.309 1.00 23.14 C ATOM 1524 NZ LYS A 95 14.988 -13.946 2.678 1.00 64.12 N ATOM 0 H LYS A 95 12.145 -8.920 2.427 1.00 1.54 H new ATOM 0 HA LYS A 95 12.019 -8.223 -0.367 1.00 13.43 H new ATOM 0 HB2 LYS A 95 12.977 -10.487 -0.653 1.00 12.33 H new ATOM 0 HB3 LYS A 95 13.874 -9.537 0.516 1.00 12.33 H new ATOM 0 HG2 LYS A 95 12.607 -10.705 2.356 1.00 63.42 H new ATOM 0 HG3 LYS A 95 11.851 -11.718 1.142 1.00 63.42 H new ATOM 0 HD2 LYS A 95 14.164 -12.426 0.386 1.00 45.40 H new ATOM 0 HD3 LYS A 95 14.831 -11.526 1.734 1.00 45.40 H new ATOM 0 HE2 LYS A 95 13.205 -12.936 3.214 1.00 23.14 H new ATOM 0 HE3 LYS A 95 13.055 -13.978 1.813 1.00 23.14 H new ATOM 0 HZ1 LYS A 95 14.783 -14.753 3.301 1.00 64.12 H new ATOM 0 HZ2 LYS A 95 15.463 -14.285 1.817 1.00 64.12 H new ATOM 0 HZ3 LYS A 95 15.608 -13.275 3.174 1.00 64.12 H new ATOM 1538 N ASP A 96 9.862 -10.347 0.936 1.00 45.41 N ATOM 1539 CA ASP A 96 8.592 -11.021 0.698 1.00 35.30 C ATOM 1540 C ASP A 96 7.628 -10.789 1.857 1.00 32.32 C ATOM 1541 O ASP A 96 8.047 -10.618 3.003 1.00 62.31 O ATOM 1542 CB ASP A 96 8.815 -12.521 0.497 1.00 44.23 C ATOM 1543 CG ASP A 96 9.631 -13.139 1.616 1.00 61.41 C ATOM 1544 OD1 ASP A 96 9.268 -12.942 2.794 1.00 23.23 O ATOM 1545 OD2 ASP A 96 10.631 -13.822 1.312 1.00 21.20 O ATOM 0 H ASP A 96 10.223 -10.450 1.884 1.00 45.41 H new ATOM 0 HA ASP A 96 8.152 -10.603 -0.207 1.00 35.30 H new ATOM 0 HB2 ASP A 96 7.850 -13.024 0.434 1.00 44.23 H new ATOM 0 HB3 ASP A 96 9.323 -12.686 -0.453 1.00 44.23 H new ATOM 1550 N THR A 97 6.333 -10.784 1.553 1.00 43.20 N ATOM 1551 CA THR A 97 5.311 -10.571 2.568 1.00 11.44 C ATOM 1552 C THR A 97 5.632 -11.340 3.844 1.00 65.44 C ATOM 1553 O THR A 97 5.413 -10.847 4.949 1.00 21.55 O ATOM 1554 CB THR A 97 3.920 -10.995 2.063 1.00 34.33 C ATOM 1555 OG1 THR A 97 3.525 -10.170 0.962 1.00 73.34 O ATOM 1556 CG2 THR A 97 2.885 -10.895 3.174 1.00 44.22 C ATOM 0 H THR A 97 5.968 -10.925 0.611 1.00 43.20 H new ATOM 0 HA THR A 97 5.301 -9.503 2.785 1.00 11.44 H new ATOM 0 HB THR A 97 3.979 -12.033 1.736 1.00 34.33 H new ATOM 0 HG1 THR A 97 4.270 -10.088 0.331 1.00 73.34 H new ATOM 0 HG21 THR A 97 1.911 -11.200 2.792 1.00 44.22 H new ATOM 0 HG22 THR A 97 3.172 -11.548 3.998 1.00 44.22 H new ATOM 0 HG23 THR A 97 2.830 -9.866 3.528 1.00 44.22 H new ATOM 1564 N GLU A 98 6.155 -12.552 3.682 1.00 33.51 N ATOM 1565 CA GLU A 98 6.507 -13.391 4.822 1.00 34.05 C ATOM 1566 C GLU A 98 7.385 -12.626 5.809 1.00 13.11 C ATOM 1567 O GLU A 98 7.092 -12.570 7.002 1.00 2.14 O ATOM 1568 CB GLU A 98 7.230 -14.653 4.350 1.00 23.45 C ATOM 1569 CG GLU A 98 6.329 -15.873 4.258 1.00 34.34 C ATOM 1570 CD GLU A 98 7.002 -17.135 4.760 1.00 30.54 C ATOM 1571 OE1 GLU A 98 8.147 -17.404 4.341 1.00 60.54 O ATOM 1572 OE2 GLU A 98 6.384 -17.855 5.574 1.00 62.32 O ATOM 0 H GLU A 98 6.344 -12.974 2.773 1.00 33.51 H new ATOM 0 HA GLU A 98 5.586 -13.678 5.329 1.00 34.05 H new ATOM 0 HB2 GLU A 98 7.672 -14.464 3.372 1.00 23.45 H new ATOM 0 HB3 GLU A 98 8.051 -14.869 5.034 1.00 23.45 H new ATOM 0 HG2 GLU A 98 5.422 -15.695 4.836 1.00 34.34 H new ATOM 0 HG3 GLU A 98 6.023 -16.017 3.222 1.00 34.34 H new ATOM 1579 N GLY A 99 8.464 -12.039 5.300 1.00 60.41 N ATOM 1580 CA GLY A 99 9.369 -11.287 6.150 1.00 44.02 C ATOM 1581 C GLY A 99 8.697 -10.095 6.801 1.00 54.13 C ATOM 1582 O GLY A 99 9.070 -9.688 7.900 1.00 0.25 O ATOM 0 H GLY A 99 8.727 -12.071 4.315 1.00 60.41 H new ATOM 0 HA2 GLY A 99 9.766 -11.944 6.924 1.00 44.02 H new ATOM 0 HA3 GLY A 99 10.217 -10.943 5.558 1.00 44.02 H new ATOM 1586 N ALA A 100 7.704 -9.534 6.119 1.00 14.42 N ATOM 1587 CA ALA A 100 6.978 -8.380 6.639 1.00 20.31 C ATOM 1588 C ALA A 100 6.247 -8.729 7.931 1.00 10.14 C ATOM 1589 O ALA A 100 6.233 -7.944 8.880 1.00 45.23 O ATOM 1590 CB ALA A 100 5.996 -7.863 5.598 1.00 11.23 C ATOM 0 H ALA A 100 7.384 -9.859 5.207 1.00 14.42 H new ATOM 0 HA ALA A 100 7.701 -7.596 6.862 1.00 20.31 H new ATOM 0 HB1 ALA A 100 5.461 -7.002 5.999 1.00 11.23 H new ATOM 0 HB2 ALA A 100 6.539 -7.567 4.701 1.00 11.23 H new ATOM 0 HB3 ALA A 100 5.283 -8.649 5.348 1.00 11.23 H new ATOM 1596 N LYS A 101 5.640 -9.910 7.962 1.00 33.44 N ATOM 1597 CA LYS A 101 4.907 -10.363 9.139 1.00 40.35 C ATOM 1598 C LYS A 101 5.861 -10.672 10.288 1.00 53.43 C ATOM 1599 O LYS A 101 5.508 -10.515 11.457 1.00 61.33 O ATOM 1600 CB LYS A 101 4.078 -11.605 8.801 1.00 43.23 C ATOM 1601 CG LYS A 101 2.630 -11.509 9.248 1.00 73.24 C ATOM 1602 CD LYS A 101 1.952 -12.870 9.236 1.00 52.40 C ATOM 1603 CE LYS A 101 2.101 -13.578 10.574 1.00 14.22 C ATOM 1604 NZ LYS A 101 1.127 -13.070 11.581 1.00 10.32 N ATOM 0 H LYS A 101 5.641 -10.571 7.186 1.00 33.44 H new ATOM 0 HA LYS A 101 4.238 -9.561 9.452 1.00 40.35 H new ATOM 0 HB2 LYS A 101 4.107 -11.769 7.724 1.00 43.23 H new ATOM 0 HB3 LYS A 101 4.537 -12.476 9.268 1.00 43.23 H new ATOM 0 HG2 LYS A 101 2.585 -11.088 10.252 1.00 73.24 H new ATOM 0 HG3 LYS A 101 2.090 -10.826 8.592 1.00 73.24 H new ATOM 0 HD2 LYS A 101 0.894 -12.749 9.003 1.00 52.40 H new ATOM 0 HD3 LYS A 101 2.384 -13.486 8.447 1.00 52.40 H new ATOM 0 HE2 LYS A 101 1.956 -14.649 10.436 1.00 14.22 H new ATOM 0 HE3 LYS A 101 3.116 -13.439 10.948 1.00 14.22 H new ATOM 0 HZ1 LYS A 101 1.635 -12.544 12.320 1.00 10.32 H new ATOM 0 HZ2 LYS A 101 0.443 -12.440 11.115 1.00 10.32 H new ATOM 0 HZ3 LYS A 101 0.623 -13.871 12.011 1.00 10.32 H new ATOM 1618 N GLN A 102 7.068 -11.110 9.947 1.00 0.41 N ATOM 1619 CA GLN A 102 8.072 -11.439 10.953 1.00 45.31 C ATOM 1620 C GLN A 102 8.593 -10.179 11.635 1.00 10.35 C ATOM 1621 O GLN A 102 8.756 -10.145 12.856 1.00 0.21 O ATOM 1622 CB GLN A 102 9.233 -12.203 10.313 1.00 42.44 C ATOM 1623 CG GLN A 102 10.182 -12.825 11.324 1.00 3.31 C ATOM 1624 CD GLN A 102 10.375 -14.312 11.105 1.00 64.11 C ATOM 1625 OE1 GLN A 102 10.017 -15.129 11.954 1.00 34.11 O ATOM 1626 NE2 GLN A 102 10.945 -14.673 9.962 1.00 43.25 N ATOM 0 H GLN A 102 7.375 -11.245 8.984 1.00 0.41 H new ATOM 0 HA GLN A 102 7.601 -12.070 11.707 1.00 45.31 H new ATOM 0 HB2 GLN A 102 8.831 -12.989 9.673 1.00 42.44 H new ATOM 0 HB3 GLN A 102 9.794 -11.524 9.671 1.00 42.44 H new ATOM 0 HG2 GLN A 102 11.149 -12.325 11.265 1.00 3.31 H new ATOM 0 HG3 GLN A 102 9.797 -12.657 12.330 1.00 3.31 H new ATOM 0 HE21 GLN A 102 11.226 -13.963 9.286 1.00 43.25 H new ATOM 0 HE22 GLN A 102 11.102 -15.660 9.760 1.00 43.25 H new ATOM 1635 N ILE A 103 8.851 -9.145 10.842 1.00 32.31 N ATOM 1636 CA ILE A 103 9.352 -7.882 11.371 1.00 31.13 C ATOM 1637 C ILE A 103 8.320 -7.217 12.275 1.00 51.43 C ATOM 1638 O ILE A 103 8.638 -6.775 13.379 1.00 12.03 O ATOM 1639 CB ILE A 103 9.730 -6.908 10.240 1.00 63.45 C ATOM 1640 CG1 ILE A 103 10.895 -7.471 9.421 1.00 34.04 C ATOM 1641 CG2 ILE A 103 10.088 -5.545 10.812 1.00 32.44 C ATOM 1642 CD1 ILE A 103 11.289 -6.596 8.252 1.00 23.43 C ATOM 0 H ILE A 103 8.721 -9.157 9.830 1.00 32.31 H new ATOM 0 HA ILE A 103 10.244 -8.115 11.952 1.00 31.13 H new ATOM 0 HB ILE A 103 8.870 -6.789 9.581 1.00 63.45 H new ATOM 0 HG12 ILE A 103 11.758 -7.602 10.074 1.00 34.04 H new ATOM 0 HG13 ILE A 103 10.624 -8.459 9.050 1.00 34.04 H new ATOM 0 HG21 ILE A 103 10.353 -4.868 10.000 1.00 32.44 H new ATOM 0 HG22 ILE A 103 9.233 -5.143 11.356 1.00 32.44 H new ATOM 0 HG23 ILE A 103 10.935 -5.646 11.491 1.00 32.44 H new ATOM 0 HD11 ILE A 103 12.120 -7.056 7.717 1.00 23.43 H new ATOM 0 HD12 ILE A 103 10.440 -6.486 7.578 1.00 23.43 H new ATOM 0 HD13 ILE A 103 11.592 -5.615 8.618 1.00 23.43 H new ATOM 1654 N VAL A 104 7.080 -7.150 11.800 1.00 1.30 N ATOM 1655 CA VAL A 104 5.999 -6.542 12.566 1.00 1.32 C ATOM 1656 C VAL A 104 5.686 -7.355 13.816 1.00 31.45 C ATOM 1657 O VAL A 104 5.582 -6.809 14.914 1.00 13.14 O ATOM 1658 CB VAL A 104 4.719 -6.407 11.721 1.00 73.24 C ATOM 1659 CG1 VAL A 104 3.573 -5.872 12.567 1.00 45.33 C ATOM 1660 CG2 VAL A 104 4.967 -5.510 10.517 1.00 0.31 C ATOM 0 H VAL A 104 6.799 -7.510 10.888 1.00 1.30 H new ATOM 0 HA VAL A 104 6.339 -5.548 12.858 1.00 1.32 H new ATOM 0 HB VAL A 104 4.440 -7.396 11.358 1.00 73.24 H new ATOM 0 HG11 VAL A 104 2.677 -5.784 11.952 1.00 45.33 H new ATOM 0 HG12 VAL A 104 3.380 -6.557 13.393 1.00 45.33 H new ATOM 0 HG13 VAL A 104 3.840 -4.892 12.963 1.00 45.33 H new ATOM 0 HG21 VAL A 104 4.052 -5.426 9.931 1.00 0.31 H new ATOM 0 HG22 VAL A 104 5.272 -4.520 10.857 1.00 0.31 H new ATOM 0 HG23 VAL A 104 5.755 -5.940 9.899 1.00 0.31 H new ATOM 1670 N ARG A 105 5.538 -8.664 13.642 1.00 1.53 N ATOM 1671 CA ARG A 105 5.236 -9.554 14.757 1.00 10.20 C ATOM 1672 C ARG A 105 6.403 -9.610 15.739 1.00 31.01 C ATOM 1673 O ARG A 105 6.262 -10.102 16.859 1.00 71.53 O ATOM 1674 CB ARG A 105 4.918 -10.959 14.244 1.00 64.41 C ATOM 1675 CG ARG A 105 4.433 -11.908 15.328 1.00 40.32 C ATOM 1676 CD ARG A 105 3.506 -12.973 14.762 1.00 64.03 C ATOM 1677 NE ARG A 105 2.943 -13.821 15.809 1.00 35.31 N ATOM 1678 CZ ARG A 105 2.099 -14.818 15.571 1.00 33.32 C ATOM 1679 NH1 ARG A 105 1.722 -15.092 14.330 1.00 51.14 N ATOM 1680 NH2 ARG A 105 1.630 -15.545 16.578 1.00 74.55 N ATOM 0 H ARG A 105 5.622 -9.132 12.740 1.00 1.53 H new ATOM 0 HA ARG A 105 4.364 -9.160 15.279 1.00 10.20 H new ATOM 0 HB2 ARG A 105 4.157 -10.889 13.467 1.00 64.41 H new ATOM 0 HB3 ARG A 105 5.811 -11.378 13.779 1.00 64.41 H new ATOM 0 HG2 ARG A 105 5.289 -12.385 15.805 1.00 40.32 H new ATOM 0 HG3 ARG A 105 3.911 -11.343 16.101 1.00 40.32 H new ATOM 0 HD2 ARG A 105 2.698 -12.494 14.210 1.00 64.03 H new ATOM 0 HD3 ARG A 105 4.055 -13.591 14.051 1.00 64.03 H new ATOM 0 HE ARG A 105 3.213 -13.638 16.775 1.00 35.31 H new ATOM 0 HH11 ARG A 105 2.080 -14.536 13.554 1.00 51.14 H new ATOM 0 HH12 ARG A 105 1.073 -15.859 14.152 1.00 51.14 H new ATOM 0 HH21 ARG A 105 1.918 -15.338 17.534 1.00 74.55 H new ATOM 0 HH22 ARG A 105 0.982 -16.311 16.395 1.00 74.55 H new ATOM 1694 N ARG A 106 7.555 -9.104 15.310 1.00 32.13 N ATOM 1695 CA ARG A 106 8.746 -9.100 16.151 1.00 43.35 C ATOM 1696 C ARG A 106 8.796 -7.842 17.015 1.00 64.34 C ATOM 1697 O ARG A 106 9.269 -7.876 18.152 1.00 24.42 O ATOM 1698 CB ARG A 106 10.005 -9.188 15.287 1.00 45.35 C ATOM 1699 CG ARG A 106 11.297 -9.059 16.079 1.00 64.43 C ATOM 1700 CD ARG A 106 12.506 -8.967 15.160 1.00 4.31 C ATOM 1701 NE ARG A 106 13.620 -9.782 15.638 1.00 72.03 N ATOM 1702 CZ ARG A 106 14.443 -9.405 16.609 1.00 23.11 C ATOM 1703 NH1 ARG A 106 14.278 -8.231 17.205 1.00 62.53 N ATOM 1704 NH2 ARG A 106 15.433 -10.203 16.988 1.00 4.00 N ATOM 0 H ARG A 106 7.689 -8.692 14.386 1.00 32.13 H new ATOM 0 HA ARG A 106 8.702 -9.970 16.807 1.00 43.35 H new ATOM 0 HB2 ARG A 106 10.007 -10.141 14.758 1.00 45.35 H new ATOM 0 HB3 ARG A 106 9.972 -8.404 14.531 1.00 45.35 H new ATOM 0 HG2 ARG A 106 11.251 -8.172 16.711 1.00 64.43 H new ATOM 0 HG3 ARG A 106 11.406 -9.918 16.742 1.00 64.43 H new ATOM 0 HD2 ARG A 106 12.225 -9.290 14.158 1.00 4.31 H new ATOM 0 HD3 ARG A 106 12.824 -7.927 15.083 1.00 4.31 H new ATOM 0 HE ARG A 106 13.774 -10.691 15.202 1.00 72.03 H new ATOM 0 HH11 ARG A 106 13.517 -7.615 16.917 1.00 62.53 H new ATOM 0 HH12 ARG A 106 14.912 -7.944 17.951 1.00 62.53 H new ATOM 0 HH21 ARG A 106 15.562 -11.107 16.533 1.00 4.00 H new ATOM 0 HH22 ARG A 106 16.065 -9.913 17.734 1.00 4.00 H new ATOM 1718 N HIS A 107 8.307 -6.734 16.468 1.00 61.41 N ATOM 1719 CA HIS A 107 8.295 -5.466 17.189 1.00 22.12 C ATOM 1720 C HIS A 107 7.152 -5.427 18.199 1.00 12.40 C ATOM 1721 O HIS A 107 7.313 -4.741 19.210 1.00 23.33 O ATOM 1722 CB HIS A 107 8.166 -4.299 16.209 1.00 62.02 C ATOM 1723 CG HIS A 107 9.403 -4.059 15.399 1.00 50.42 C ATOM 1724 ND1 HIS A 107 10.645 -3.858 15.962 1.00 25.22 N ATOM 1725 CD2 HIS A 107 9.584 -3.987 14.059 1.00 41.41 C ATOM 1726 CE1 HIS A 107 11.536 -3.674 15.005 1.00 52.30 C ATOM 1727 NE2 HIS A 107 10.918 -3.747 13.840 1.00 74.54 N ATOM 0 H HIS A 107 7.914 -6.688 15.528 1.00 61.41 H new ATOM 0 HA HIS A 107 9.237 -5.374 17.729 1.00 22.12 H new ATOM 0 HB2 HIS A 107 7.332 -4.492 15.535 1.00 62.02 H new ATOM 0 HB3 HIS A 107 7.924 -3.393 16.765 1.00 62.02 H new ATOM 0 HD2 HIS A 107 8.821 -4.098 13.303 1.00 41.41 H new ATOM 0 HE1 HIS A 107 12.591 -3.494 15.150 1.00 52.30 H new ATOM 0 HE2 HIS A 107 11.360 -3.642 12.927 1.00 74.54 H new ATOM 1735 N LEU A 108 6.042 -6.116 17.962 1.00 70.03 N ATOM 1736 CA LEU A 108 4.923 -6.109 18.897 1.00 14.10 C ATOM 1737 C LEU A 108 5.249 -6.925 20.144 1.00 43.44 C ATOM 1738 O LEU A 108 4.962 -6.506 21.265 1.00 11.22 O ATOM 1739 CB LEU A 108 3.666 -6.665 18.225 1.00 41.03 C ATOM 1740 CG LEU A 108 3.226 -5.963 16.939 1.00 30.12 C ATOM 1741 CD1 LEU A 108 2.388 -6.898 16.081 1.00 45.04 C ATOM 1742 CD2 LEU A 108 2.450 -4.694 17.264 1.00 30.40 C ATOM 0 H LEU A 108 5.893 -6.687 17.130 1.00 70.03 H new ATOM 0 HA LEU A 108 4.741 -5.077 19.197 1.00 14.10 H new ATOM 0 HB2 LEU A 108 3.834 -7.718 18.001 1.00 41.03 H new ATOM 0 HB3 LEU A 108 2.845 -6.618 18.940 1.00 41.03 H new ATOM 0 HG LEU A 108 4.117 -5.686 16.375 1.00 30.12 H new ATOM 0 HD11 LEU A 108 2.084 -6.382 15.170 1.00 45.04 H new ATOM 0 HD12 LEU A 108 2.976 -7.778 15.820 1.00 45.04 H new ATOM 0 HD13 LEU A 108 1.502 -7.206 16.637 1.00 45.04 H new ATOM 0 HD21 LEU A 108 2.145 -4.207 16.338 1.00 30.40 H new ATOM 0 HD22 LEU A 108 1.566 -4.948 17.849 1.00 30.40 H new ATOM 0 HD23 LEU A 108 3.083 -4.017 17.838 1.00 30.40 H new