USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 594 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 23 HIS : no HD1:sc= -1.02 K(o=-0.67,f=0.092) USER MOD Set 1.2: A 54 CYS SG : rot 70:sc= 0.354 USER MOD Single : A 12 ASN : amide:sc= -0.026 K(o=-0.026,f=-3.6!) USER MOD Single : A 21 LYS NZ :NH3+ -171:sc=-0.000977 (180deg=-0.0887) USER MOD Single : A 24 SER OG : rot -27:sc= 0.636 USER MOD Single : A 26 LYS NZ :NH3+ 169:sc=-0.000823 (180deg=-0.131) USER MOD Single : A 27 MET CE :methyl 150:sc= -0.0983 (180deg=-0.501) USER MOD Single : A 28 ASN : amide:sc= -0.517 K(o=-0.52,f=-5!) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 34 ASN : amide:sc= -0.0696 K(o=-0.07,f=-8.7!) USER MOD Single : A 37 LYS NZ :NH3+ 153:sc= -0.538 (180deg=-1.66!) USER MOD Single : A 42 MET CE :methyl 137:sc= -0.141 (180deg=-2.3) USER MOD Single : A 46 SER OG : rot -130:sc= -0.311 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 62:sc= 0.872 USER MOD Single : A 59 MET CE :methyl 153:sc= -1.58 (180deg=-3.04!) USER MOD Single : A 60 TYR OH : rot -123:sc= 0.396 USER MOD Single : A 68 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.43) USER MOD Single : A 70 THR OG1 : rot -58:sc= 0.922 USER MOD Single : A 71 GLN : amide:sc= -0.607 K(o=-0.61,f=-5.9!) USER MOD Single : A 76 MET CE :methyl -161:sc= -0.0738 (180deg=-0.565) USER MOD Single : A 80 LYS NZ :NH3+ -177:sc= 1.26 (180deg=1.17) USER MOD Single : A 82 MET CE :methyl 154:sc= -0.177 (180deg=-1.02) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 164 N PRO A 11 1.927 -16.115 -1.267 1.00 75.32 N ATOM 165 CA PRO A 11 2.948 -15.374 -0.507 1.00 0.04 C ATOM 166 C PRO A 11 2.565 -15.191 0.973 1.00 51.13 C ATOM 167 O PRO A 11 1.436 -14.818 1.296 1.00 21.13 O ATOM 168 CB PRO A 11 3.028 -14.014 -1.227 1.00 13.12 C ATOM 169 CG PRO A 11 1.752 -13.906 -1.995 1.00 55.25 C ATOM 170 CD PRO A 11 1.371 -15.312 -2.373 1.00 74.50 C ATOM 0 HA PRO A 11 3.899 -15.906 -0.483 1.00 0.04 H new ATOM 0 HB2 PRO A 11 3.130 -13.196 -0.514 1.00 13.12 H new ATOM 0 HB3 PRO A 11 3.892 -13.969 -1.890 1.00 13.12 H new ATOM 0 HG2 PRO A 11 0.973 -13.440 -1.392 1.00 55.25 H new ATOM 0 HG3 PRO A 11 1.882 -13.286 -2.882 1.00 55.25 H new ATOM 0 HD2 PRO A 11 0.290 -15.430 -2.454 1.00 74.50 H new ATOM 0 HD3 PRO A 11 1.796 -15.601 -3.335 1.00 74.50 H new ATOM 178 N ASN A 12 3.513 -15.467 1.866 1.00 40.41 N ATOM 179 CA ASN A 12 3.289 -15.335 3.312 1.00 21.40 C ATOM 180 C ASN A 12 3.138 -13.855 3.724 1.00 72.03 C ATOM 181 O ASN A 12 3.469 -12.951 2.953 1.00 41.33 O ATOM 182 CB ASN A 12 4.458 -15.991 4.069 1.00 70.11 C ATOM 183 CG ASN A 12 4.265 -16.014 5.576 1.00 14.44 C ATOM 184 OD1 ASN A 12 3.146 -16.059 6.071 1.00 54.41 O ATOM 185 ND2 ASN A 12 5.354 -15.993 6.317 1.00 23.31 N ATOM 0 H ASN A 12 4.449 -15.785 1.616 1.00 40.41 H new ATOM 0 HA ASN A 12 2.359 -15.841 3.570 1.00 21.40 H new ATOM 0 HB2 ASN A 12 4.585 -17.013 3.711 1.00 70.11 H new ATOM 0 HB3 ASN A 12 5.378 -15.455 3.836 1.00 70.11 H new ATOM 0 HD21 ASN A 12 5.279 -16.014 7.334 1.00 23.31 H new ATOM 0 HD22 ASN A 12 6.272 -15.955 5.874 1.00 23.31 H new ATOM 192 N GLU A 13 2.636 -13.615 4.940 1.00 60.25 N ATOM 193 CA GLU A 13 2.482 -12.253 5.480 1.00 64.34 C ATOM 194 C GLU A 13 3.770 -11.428 5.309 1.00 53.45 C ATOM 195 O GLU A 13 3.773 -10.386 4.650 1.00 12.12 O ATOM 196 CB GLU A 13 2.107 -12.327 6.969 1.00 43.23 C ATOM 197 CG GLU A 13 1.896 -10.973 7.641 1.00 31.01 C ATOM 198 CD GLU A 13 1.613 -11.104 9.131 1.00 62.21 C ATOM 199 OE1 GLU A 13 2.574 -11.135 9.924 1.00 43.04 O ATOM 200 OE2 GLU A 13 0.431 -11.186 9.519 1.00 75.12 O ATOM 0 H GLU A 13 2.326 -14.350 5.576 1.00 60.25 H new ATOM 0 HA GLU A 13 1.689 -11.756 4.922 1.00 64.34 H new ATOM 0 HB2 GLU A 13 1.194 -12.914 7.071 1.00 43.23 H new ATOM 0 HB3 GLU A 13 2.893 -12.863 7.501 1.00 43.23 H new ATOM 0 HG2 GLU A 13 2.782 -10.356 7.495 1.00 31.01 H new ATOM 0 HG3 GLU A 13 1.065 -10.457 7.160 1.00 31.01 H new ATOM 207 N GLU A 14 4.868 -11.923 5.884 1.00 10.45 N ATOM 208 CA GLU A 14 6.173 -11.256 5.781 1.00 22.14 C ATOM 209 C GLU A 14 6.666 -11.178 4.325 1.00 20.01 C ATOM 210 O GLU A 14 7.402 -10.261 3.957 1.00 42.32 O ATOM 211 CB GLU A 14 7.208 -11.991 6.644 1.00 12.14 C ATOM 212 CG GLU A 14 6.937 -11.906 8.144 1.00 42.12 C ATOM 213 CD GLU A 14 7.100 -10.494 8.695 1.00 42.12 C ATOM 214 OE1 GLU A 14 8.255 -10.043 8.854 1.00 64.14 O ATOM 215 OE2 GLU A 14 6.084 -9.835 8.987 1.00 14.12 O ATOM 0 H GLU A 14 4.882 -12.786 6.428 1.00 10.45 H new ATOM 0 HA GLU A 14 6.050 -10.236 6.144 1.00 22.14 H new ATOM 0 HB2 GLU A 14 7.234 -13.040 6.348 1.00 12.14 H new ATOM 0 HB3 GLU A 14 8.196 -11.578 6.439 1.00 12.14 H new ATOM 0 HG2 GLU A 14 5.924 -12.255 8.346 1.00 42.12 H new ATOM 0 HG3 GLU A 14 7.616 -12.577 8.670 1.00 42.12 H new ATOM 222 N ALA A 15 6.247 -12.139 3.498 1.00 13.14 N ATOM 223 CA ALA A 15 6.656 -12.179 2.088 1.00 23.32 C ATOM 224 C ALA A 15 6.090 -10.985 1.301 1.00 55.13 C ATOM 225 O ALA A 15 6.828 -10.281 0.612 1.00 42.23 O ATOM 226 CB ALA A 15 6.224 -13.494 1.446 1.00 73.43 C ATOM 0 H ALA A 15 5.626 -12.899 3.777 1.00 13.14 H new ATOM 0 HA ALA A 15 7.743 -12.111 2.056 1.00 23.32 H new ATOM 0 HB1 ALA A 15 6.534 -13.508 0.401 1.00 73.43 H new ATOM 0 HB2 ALA A 15 6.689 -14.327 1.974 1.00 73.43 H new ATOM 0 HB3 ALA A 15 5.140 -13.588 1.504 1.00 73.43 H new ATOM 232 N ARG A 16 4.780 -10.749 1.413 1.00 20.30 N ATOM 233 CA ARG A 16 4.166 -9.576 0.775 1.00 33.41 C ATOM 234 C ARG A 16 4.613 -8.284 1.469 1.00 32.12 C ATOM 235 O ARG A 16 4.746 -7.238 0.831 1.00 34.14 O ATOM 236 CB ARG A 16 2.632 -9.675 0.753 1.00 33.45 C ATOM 237 CG ARG A 16 1.981 -9.825 2.123 1.00 64.21 C ATOM 238 CD ARG A 16 0.455 -9.763 2.035 1.00 12.14 C ATOM 239 NE ARG A 16 -0.079 -10.638 0.987 1.00 42.01 N ATOM 240 CZ ARG A 16 -0.083 -11.943 1.041 1.00 52.02 C ATOM 241 NH1 ARG A 16 0.398 -12.568 2.068 1.00 71.05 N ATOM 242 NH2 ARG A 16 -0.581 -12.628 0.066 1.00 50.24 N ATOM 0 H ARG A 16 4.131 -11.342 1.930 1.00 20.30 H new ATOM 0 HA ARG A 16 4.508 -9.552 -0.260 1.00 33.41 H new ATOM 0 HB2 ARG A 16 2.231 -8.783 0.272 1.00 33.45 H new ATOM 0 HB3 ARG A 16 2.346 -10.526 0.135 1.00 33.45 H new ATOM 0 HG2 ARG A 16 2.282 -10.774 2.567 1.00 64.21 H new ATOM 0 HG3 ARG A 16 2.340 -9.036 2.784 1.00 64.21 H new ATOM 0 HD2 ARG A 16 0.026 -10.048 2.996 1.00 12.14 H new ATOM 0 HD3 ARG A 16 0.146 -8.736 1.840 1.00 12.14 H new ATOM 0 HE ARG A 16 -0.475 -10.197 0.157 1.00 42.01 H new ATOM 0 HH11 ARG A 16 0.787 -12.041 2.850 1.00 71.05 H new ATOM 0 HH12 ARG A 16 0.388 -13.588 2.095 1.00 71.05 H new ATOM 0 HH21 ARG A 16 -0.971 -12.150 -0.746 1.00 50.24 H new ATOM 0 HH22 ARG A 16 -0.584 -13.647 0.108 1.00 50.24 H new ATOM 256 N LEU A 17 4.844 -8.363 2.779 1.00 0.24 N ATOM 257 CA LEU A 17 5.374 -7.231 3.540 1.00 40.43 C ATOM 258 C LEU A 17 6.741 -6.789 2.993 1.00 60.31 C ATOM 259 O LEU A 17 7.018 -5.596 2.881 1.00 50.54 O ATOM 260 CB LEU A 17 5.493 -7.596 5.022 1.00 22.44 C ATOM 261 CG LEU A 17 6.046 -6.485 5.928 1.00 61.31 C ATOM 262 CD1 LEU A 17 5.149 -5.252 5.885 1.00 70.15 C ATOM 263 CD2 LEU A 17 6.202 -6.987 7.357 1.00 22.54 C ATOM 0 H LEU A 17 4.672 -9.200 3.336 1.00 0.24 H new ATOM 0 HA LEU A 17 4.679 -6.398 3.434 1.00 40.43 H new ATOM 0 HB2 LEU A 17 4.508 -7.885 5.389 1.00 22.44 H new ATOM 0 HB3 LEU A 17 6.136 -8.471 5.113 1.00 22.44 H new ATOM 0 HG LEU A 17 7.030 -6.201 5.555 1.00 61.31 H new ATOM 0 HD11 LEU A 17 5.561 -4.479 6.534 1.00 70.15 H new ATOM 0 HD12 LEU A 17 5.095 -4.877 4.863 1.00 70.15 H new ATOM 0 HD13 LEU A 17 4.149 -5.518 6.227 1.00 70.15 H new ATOM 0 HD21 LEU A 17 6.595 -6.186 7.983 1.00 22.54 H new ATOM 0 HD22 LEU A 17 5.232 -7.304 7.739 1.00 22.54 H new ATOM 0 HD23 LEU A 17 6.891 -7.831 7.373 1.00 22.54 H new ATOM 275 N ASP A 18 7.588 -7.761 2.649 1.00 34.14 N ATOM 276 CA ASP A 18 8.896 -7.476 2.050 1.00 11.32 C ATOM 277 C ASP A 18 8.733 -6.662 0.754 1.00 42.52 C ATOM 278 O ASP A 18 9.467 -5.700 0.509 1.00 35.20 O ATOM 279 CB ASP A 18 9.637 -8.790 1.771 1.00 23.34 C ATOM 280 CG ASP A 18 11.058 -8.567 1.284 1.00 3.12 C ATOM 281 OD1 ASP A 18 11.865 -7.991 2.048 1.00 3.43 O ATOM 282 OD2 ASP A 18 11.383 -8.981 0.152 1.00 42.40 O ATOM 0 H ASP A 18 7.392 -8.754 2.775 1.00 34.14 H new ATOM 0 HA ASP A 18 9.482 -6.882 2.751 1.00 11.32 H new ATOM 0 HB2 ASP A 18 9.659 -9.391 2.680 1.00 23.34 H new ATOM 0 HB3 ASP A 18 9.086 -9.362 1.024 1.00 23.34 H new ATOM 287 N ILE A 19 7.754 -7.053 -0.059 1.00 44.21 N ATOM 288 CA ILE A 19 7.397 -6.311 -1.273 1.00 71.21 C ATOM 289 C ILE A 19 6.960 -4.877 -0.928 1.00 74.43 C ATOM 290 O ILE A 19 7.426 -3.902 -1.526 1.00 63.51 O ATOM 291 CB ILE A 19 6.244 -7.012 -2.030 1.00 3.02 C ATOM 292 CG1 ILE A 19 6.575 -8.496 -2.257 1.00 73.41 C ATOM 293 CG2 ILE A 19 5.967 -6.313 -3.359 1.00 21.44 C ATOM 294 CD1 ILE A 19 5.413 -9.301 -2.801 1.00 23.21 C ATOM 0 H ILE A 19 7.188 -7.886 0.100 1.00 44.21 H new ATOM 0 HA ILE A 19 8.283 -6.281 -1.907 1.00 71.21 H new ATOM 0 HB ILE A 19 5.344 -6.949 -1.419 1.00 3.02 H new ATOM 0 HG12 ILE A 19 7.413 -8.571 -2.950 1.00 73.41 H new ATOM 0 HG13 ILE A 19 6.900 -8.935 -1.314 1.00 73.41 H new ATOM 0 HG21 ILE A 19 5.153 -6.822 -3.875 1.00 21.44 H new ATOM 0 HG22 ILE A 19 5.687 -5.276 -3.173 1.00 21.44 H new ATOM 0 HG23 ILE A 19 6.863 -6.341 -3.979 1.00 21.44 H new ATOM 0 HD11 ILE A 19 5.720 -10.338 -2.936 1.00 23.21 H new ATOM 0 HD12 ILE A 19 4.580 -9.258 -2.099 1.00 23.21 H new ATOM 0 HD13 ILE A 19 5.101 -8.887 -3.760 1.00 23.21 H new ATOM 306 N LEU A 20 6.056 -4.765 0.045 1.00 45.40 N ATOM 307 CA LEU A 20 5.588 -3.464 0.541 1.00 52.31 C ATOM 308 C LEU A 20 6.765 -2.588 0.999 1.00 35.22 C ATOM 309 O LEU A 20 6.781 -1.380 0.761 1.00 72.14 O ATOM 310 CB LEU A 20 4.594 -3.677 1.693 1.00 43.32 C ATOM 311 CG LEU A 20 3.269 -4.355 1.296 1.00 51.14 C ATOM 312 CD1 LEU A 20 2.513 -4.848 2.527 1.00 52.32 C ATOM 313 CD2 LEU A 20 2.396 -3.396 0.485 1.00 53.24 C ATOM 0 H LEU A 20 5.628 -5.565 0.511 1.00 45.40 H new ATOM 0 HA LEU A 20 5.086 -2.943 -0.274 1.00 52.31 H new ATOM 0 HB2 LEU A 20 5.077 -4.280 2.462 1.00 43.32 H new ATOM 0 HB3 LEU A 20 4.369 -2.709 2.142 1.00 43.32 H new ATOM 0 HG LEU A 20 3.508 -5.219 0.676 1.00 51.14 H new ATOM 0 HD11 LEU A 20 1.582 -5.322 2.216 1.00 52.32 H new ATOM 0 HD12 LEU A 20 3.126 -5.571 3.065 1.00 52.32 H new ATOM 0 HD13 LEU A 20 2.290 -4.004 3.179 1.00 52.32 H new ATOM 0 HD21 LEU A 20 1.465 -3.893 0.214 1.00 53.24 H new ATOM 0 HD22 LEU A 20 2.175 -2.512 1.083 1.00 53.24 H new ATOM 0 HD23 LEU A 20 2.926 -3.099 -0.420 1.00 53.24 H new ATOM 325 N LYS A 21 7.755 -3.208 1.644 1.00 11.12 N ATOM 326 CA LYS A 21 8.980 -2.505 2.040 1.00 22.34 C ATOM 327 C LYS A 21 9.722 -1.962 0.807 1.00 62.23 C ATOM 328 O LYS A 21 10.142 -0.806 0.784 1.00 3.30 O ATOM 329 CB LYS A 21 9.900 -3.430 2.854 1.00 61.22 C ATOM 330 CG LYS A 21 9.315 -3.859 4.202 1.00 71.32 C ATOM 331 CD LYS A 21 10.251 -4.805 4.951 1.00 61.34 C ATOM 332 CE LYS A 21 9.676 -5.233 6.301 1.00 73.32 C ATOM 333 NZ LYS A 21 9.519 -4.087 7.237 1.00 51.23 N ATOM 0 H LYS A 21 7.734 -4.194 1.904 1.00 11.12 H new ATOM 0 HA LYS A 21 8.695 -1.661 2.669 1.00 22.34 H new ATOM 0 HB2 LYS A 21 10.118 -4.320 2.264 1.00 61.22 H new ATOM 0 HB3 LYS A 21 10.849 -2.922 3.026 1.00 61.22 H new ATOM 0 HG2 LYS A 21 9.125 -2.977 4.813 1.00 71.32 H new ATOM 0 HG3 LYS A 21 8.355 -4.349 4.042 1.00 71.32 H new ATOM 0 HD2 LYS A 21 10.438 -5.688 4.340 1.00 61.34 H new ATOM 0 HD3 LYS A 21 11.213 -4.316 5.106 1.00 61.34 H new ATOM 0 HE2 LYS A 21 8.707 -5.708 6.147 1.00 73.32 H new ATOM 0 HE3 LYS A 21 10.330 -5.980 6.751 1.00 73.32 H new ATOM 0 HZ1 LYS A 21 9.273 -4.442 8.183 1.00 51.23 H new ATOM 0 HZ2 LYS A 21 10.412 -3.556 7.288 1.00 51.23 H new ATOM 0 HZ3 LYS A 21 8.763 -3.460 6.895 1.00 51.23 H new ATOM 347 N ILE A 22 9.849 -2.793 -0.227 1.00 50.30 N ATOM 348 CA ILE A 22 10.501 -2.383 -1.481 1.00 21.11 C ATOM 349 C ILE A 22 9.844 -1.121 -2.073 1.00 54.25 C ATOM 350 O ILE A 22 10.528 -0.163 -2.438 1.00 43.33 O ATOM 351 CB ILE A 22 10.464 -3.523 -2.534 1.00 34.15 C ATOM 352 CG1 ILE A 22 11.187 -4.771 -2.000 1.00 63.34 C ATOM 353 CG2 ILE A 22 11.083 -3.067 -3.857 1.00 3.13 C ATOM 354 CD1 ILE A 22 11.153 -5.955 -2.946 1.00 43.11 C ATOM 0 H ILE A 22 9.511 -3.755 -0.226 1.00 50.30 H new ATOM 0 HA ILE A 22 11.539 -2.158 -1.237 1.00 21.11 H new ATOM 0 HB ILE A 22 9.421 -3.779 -2.721 1.00 34.15 H new ATOM 0 HG12 ILE A 22 12.226 -4.515 -1.792 1.00 63.34 H new ATOM 0 HG13 ILE A 22 10.734 -5.063 -1.052 1.00 63.34 H new ATOM 0 HG21 ILE A 22 11.045 -3.884 -4.577 1.00 3.13 H new ATOM 0 HG22 ILE A 22 10.525 -2.215 -4.245 1.00 3.13 H new ATOM 0 HG23 ILE A 22 12.121 -2.777 -3.692 1.00 3.13 H new ATOM 0 HD11 ILE A 22 11.684 -6.795 -2.497 1.00 43.11 H new ATOM 0 HD12 ILE A 22 10.118 -6.240 -3.136 1.00 43.11 H new ATOM 0 HD13 ILE A 22 11.633 -5.683 -3.886 1.00 43.11 H new ATOM 366 N HIS A 23 8.513 -1.121 -2.148 1.00 34.54 N ATOM 367 CA HIS A 23 7.767 0.036 -2.662 1.00 10.14 C ATOM 368 C HIS A 23 7.882 1.250 -1.720 1.00 10.05 C ATOM 369 O HIS A 23 8.148 2.370 -2.162 1.00 75.03 O ATOM 370 CB HIS A 23 6.288 -0.327 -2.866 1.00 21.41 C ATOM 371 CG HIS A 23 6.045 -1.324 -3.961 1.00 14.13 C ATOM 372 ND1 HIS A 23 5.887 -0.966 -5.280 1.00 52.25 N ATOM 373 CD2 HIS A 23 5.919 -2.673 -3.926 1.00 73.42 C ATOM 374 CE1 HIS A 23 5.674 -2.043 -6.007 1.00 12.45 C ATOM 375 NE2 HIS A 23 5.689 -3.095 -5.214 1.00 33.41 N ATOM 0 H HIS A 23 7.927 -1.905 -1.861 1.00 34.54 H new ATOM 0 HA HIS A 23 8.207 0.309 -3.621 1.00 10.14 H new ATOM 0 HB2 HIS A 23 5.891 -0.726 -1.932 1.00 21.41 H new ATOM 0 HB3 HIS A 23 5.729 0.582 -3.087 1.00 21.41 H new ATOM 0 HD2 HIS A 23 5.987 -3.300 -3.049 1.00 73.42 H new ATOM 0 HE1 HIS A 23 5.514 -2.061 -7.075 1.00 12.45 H new ATOM 0 HE2 HIS A 23 5.553 -4.062 -5.507 1.00 33.41 H new ATOM 384 N SER A 24 7.701 1.014 -0.419 1.00 34.41 N ATOM 385 CA SER A 24 7.704 2.092 0.588 1.00 5.11 C ATOM 386 C SER A 24 9.032 2.865 0.619 1.00 70.15 C ATOM 387 O SER A 24 9.069 4.036 0.996 1.00 42.00 O ATOM 388 CB SER A 24 7.418 1.524 1.984 1.00 75.45 C ATOM 389 OG SER A 24 8.484 0.707 2.442 1.00 51.33 O ATOM 0 H SER A 24 7.549 0.083 -0.031 1.00 34.41 H new ATOM 0 HA SER A 24 6.917 2.789 0.300 1.00 5.11 H new ATOM 0 HB2 SER A 24 7.259 2.343 2.685 1.00 75.45 H new ATOM 0 HB3 SER A 24 6.497 0.942 1.959 1.00 75.45 H new ATOM 0 HG SER A 24 8.958 0.326 1.673 1.00 51.33 H new ATOM 395 N ARG A 25 10.122 2.204 0.234 1.00 3.33 N ATOM 396 CA ARG A 25 11.441 2.852 0.190 1.00 65.42 C ATOM 397 C ARG A 25 11.530 3.885 -0.946 1.00 42.43 C ATOM 398 O ARG A 25 12.259 4.874 -0.846 1.00 5.12 O ATOM 399 CB ARG A 25 12.549 1.798 0.037 1.00 35.13 C ATOM 400 CG ARG A 25 12.684 0.874 1.245 1.00 25.11 C ATOM 401 CD ARG A 25 13.730 -0.216 1.022 1.00 13.24 C ATOM 402 NE ARG A 25 13.851 -1.104 2.177 1.00 44.02 N ATOM 403 CZ ARG A 25 14.520 -2.228 2.178 1.00 5.41 C ATOM 404 NH1 ARG A 25 15.164 -2.620 1.125 1.00 3.13 N ATOM 405 NH2 ARG A 25 14.556 -2.952 3.249 1.00 74.54 N ATOM 0 H ARG A 25 10.123 1.225 -0.052 1.00 3.33 H new ATOM 0 HA ARG A 25 11.579 3.382 1.132 1.00 65.42 H new ATOM 0 HB2 ARG A 25 12.347 1.197 -0.849 1.00 35.13 H new ATOM 0 HB3 ARG A 25 13.500 2.304 -0.131 1.00 35.13 H new ATOM 0 HG2 ARG A 25 12.955 1.462 2.122 1.00 25.11 H new ATOM 0 HG3 ARG A 25 11.720 0.412 1.457 1.00 25.11 H new ATOM 0 HD2 ARG A 25 13.462 -0.801 0.142 1.00 13.24 H new ATOM 0 HD3 ARG A 25 14.696 0.245 0.817 1.00 13.24 H new ATOM 0 HE ARG A 25 13.382 -0.829 3.040 1.00 44.02 H new ATOM 0 HH11 ARG A 25 15.154 -2.050 0.279 1.00 3.13 H new ATOM 0 HH12 ARG A 25 15.681 -3.499 1.141 1.00 3.13 H new ATOM 0 HH21 ARG A 25 14.064 -2.646 4.088 1.00 74.54 H new ATOM 0 HH22 ARG A 25 15.076 -3.829 3.254 1.00 74.54 H new ATOM 419 N LYS A 26 10.786 3.654 -2.025 1.00 22.33 N ATOM 420 CA LYS A 26 10.794 4.563 -3.181 1.00 61.03 C ATOM 421 C LYS A 26 9.637 5.576 -3.115 1.00 33.35 C ATOM 422 O LYS A 26 9.696 6.645 -3.726 1.00 21.53 O ATOM 423 CB LYS A 26 10.707 3.759 -4.485 1.00 42.30 C ATOM 424 CG LYS A 26 11.794 2.693 -4.623 1.00 52.44 C ATOM 425 CD LYS A 26 11.751 2.006 -5.987 1.00 70.03 C ATOM 426 CE LYS A 26 12.114 2.963 -7.118 1.00 21.13 C ATOM 427 NZ LYS A 26 13.532 3.405 -7.042 1.00 32.11 N ATOM 0 H LYS A 26 10.169 2.848 -2.128 1.00 22.33 H new ATOM 0 HA LYS A 26 11.731 5.120 -3.157 1.00 61.03 H new ATOM 0 HB2 LYS A 26 9.730 3.279 -4.541 1.00 42.30 H new ATOM 0 HB3 LYS A 26 10.774 4.445 -5.330 1.00 42.30 H new ATOM 0 HG2 LYS A 26 12.772 3.152 -4.479 1.00 52.44 H new ATOM 0 HG3 LYS A 26 11.673 1.947 -3.837 1.00 52.44 H new ATOM 0 HD2 LYS A 26 12.441 1.162 -5.990 1.00 70.03 H new ATOM 0 HD3 LYS A 26 10.753 1.603 -6.159 1.00 70.03 H new ATOM 0 HE2 LYS A 26 11.938 2.475 -8.076 1.00 21.13 H new ATOM 0 HE3 LYS A 26 11.460 3.834 -7.079 1.00 21.13 H new ATOM 0 HZ1 LYS A 26 13.789 3.899 -7.920 1.00 32.11 H new ATOM 0 HZ2 LYS A 26 13.652 4.050 -6.235 1.00 32.11 H new ATOM 0 HZ3 LYS A 26 14.148 2.576 -6.918 1.00 32.11 H new ATOM 441 N MET A 27 8.588 5.230 -2.374 1.00 35.24 N ATOM 442 CA MET A 27 7.397 6.085 -2.248 1.00 73.01 C ATOM 443 C MET A 27 7.490 7.026 -1.034 1.00 51.13 C ATOM 444 O MET A 27 7.947 6.631 0.037 1.00 43.42 O ATOM 445 CB MET A 27 6.141 5.208 -2.125 1.00 31.51 C ATOM 446 CG MET A 27 5.865 4.359 -3.358 1.00 42.11 C ATOM 447 SD MET A 27 4.539 3.158 -3.098 1.00 33.15 S ATOM 448 CE MET A 27 3.204 4.216 -2.537 1.00 53.43 C ATOM 0 H MET A 27 8.533 4.359 -1.846 1.00 35.24 H new ATOM 0 HA MET A 27 7.337 6.703 -3.144 1.00 73.01 H new ATOM 0 HB2 MET A 27 6.249 4.553 -1.260 1.00 31.51 H new ATOM 0 HB3 MET A 27 5.279 5.848 -1.935 1.00 31.51 H new ATOM 0 HG2 MET A 27 5.601 5.011 -4.191 1.00 42.11 H new ATOM 0 HG3 MET A 27 6.776 3.832 -3.642 1.00 42.11 H new ATOM 0 HE1 MET A 27 2.248 3.785 -2.835 1.00 53.43 H new ATOM 0 HE2 MET A 27 3.240 4.302 -1.451 1.00 53.43 H new ATOM 0 HE3 MET A 27 3.311 5.205 -2.983 1.00 53.43 H new ATOM 458 N ASN A 28 7.059 8.274 -1.212 1.00 65.22 N ATOM 459 CA ASN A 28 6.986 9.234 -0.101 1.00 12.45 C ATOM 460 C ASN A 28 5.815 8.865 0.829 1.00 14.53 C ATOM 461 O ASN A 28 4.678 8.742 0.378 1.00 43.12 O ATOM 462 CB ASN A 28 6.812 10.659 -0.655 1.00 1.03 C ATOM 463 CG ASN A 28 6.968 11.737 0.406 1.00 74.30 C ATOM 464 OD1 ASN A 28 6.672 11.535 1.576 1.00 12.14 O ATOM 465 ND2 ASN A 28 7.440 12.902 0.005 1.00 72.14 N ATOM 0 H ASN A 28 6.755 8.648 -2.111 1.00 65.22 H new ATOM 0 HA ASN A 28 7.911 9.196 0.474 1.00 12.45 H new ATOM 0 HB2 ASN A 28 7.544 10.827 -1.445 1.00 1.03 H new ATOM 0 HB3 ASN A 28 5.826 10.747 -1.111 1.00 1.03 H new ATOM 0 HD21 ASN A 28 7.566 13.660 0.676 1.00 72.14 H new ATOM 0 HD22 ASN A 28 7.679 13.045 -0.976 1.00 72.14 H new ATOM 472 N LEU A 29 6.096 8.683 2.121 1.00 35.15 N ATOM 473 CA LEU A 29 5.082 8.197 3.074 1.00 62.34 C ATOM 474 C LEU A 29 4.928 9.111 4.299 1.00 72.25 C ATOM 475 O LEU A 29 5.669 10.076 4.479 1.00 43.34 O ATOM 476 CB LEU A 29 5.434 6.782 3.554 1.00 22.34 C ATOM 477 CG LEU A 29 5.503 5.701 2.465 1.00 15.23 C ATOM 478 CD1 LEU A 29 5.804 4.342 3.083 1.00 72.42 C ATOM 479 CD2 LEU A 29 4.208 5.652 1.657 1.00 51.31 C ATOM 0 H LEU A 29 7.011 8.862 2.535 1.00 35.15 H new ATOM 0 HA LEU A 29 4.134 8.194 2.536 1.00 62.34 H new ATOM 0 HB2 LEU A 29 6.398 6.821 4.061 1.00 22.34 H new ATOM 0 HB3 LEU A 29 4.696 6.477 4.295 1.00 22.34 H new ATOM 0 HG LEU A 29 6.313 5.958 1.783 1.00 15.23 H new ATOM 0 HD11 LEU A 29 5.849 3.587 2.298 1.00 72.42 H new ATOM 0 HD12 LEU A 29 6.761 4.383 3.603 1.00 72.42 H new ATOM 0 HD13 LEU A 29 5.017 4.082 3.791 1.00 72.42 H new ATOM 0 HD21 LEU A 29 4.285 4.878 0.893 1.00 51.31 H new ATOM 0 HD22 LEU A 29 3.373 5.426 2.321 1.00 51.31 H new ATOM 0 HD23 LEU A 29 4.040 6.617 1.180 1.00 51.31 H new ATOM 491 N THR A 30 3.946 8.783 5.140 1.00 25.05 N ATOM 492 CA THR A 30 3.715 9.503 6.402 1.00 43.34 C ATOM 493 C THR A 30 4.756 9.124 7.470 1.00 54.43 C ATOM 494 O THR A 30 5.599 8.253 7.253 1.00 41.31 O ATOM 495 CB THR A 30 2.298 9.220 6.964 1.00 20.55 C ATOM 496 OG1 THR A 30 2.085 9.965 8.176 1.00 25.10 O ATOM 497 CG2 THR A 30 2.097 7.731 7.238 1.00 30.31 C ATOM 0 H THR A 30 3.292 8.019 4.972 1.00 25.05 H new ATOM 0 HA THR A 30 3.808 10.564 6.172 1.00 43.34 H new ATOM 0 HB THR A 30 1.574 9.533 6.212 1.00 20.55 H new ATOM 0 HG1 THR A 30 1.186 9.779 8.520 1.00 25.10 H new ATOM 0 HG21 THR A 30 1.094 7.566 7.631 1.00 30.31 H new ATOM 0 HG22 THR A 30 2.221 7.171 6.311 1.00 30.31 H new ATOM 0 HG23 THR A 30 2.833 7.393 7.967 1.00 30.31 H new ATOM 505 N ARG A 31 4.683 9.774 8.630 1.00 33.33 N ATOM 506 CA ARG A 31 5.635 9.530 9.722 1.00 55.51 C ATOM 507 C ARG A 31 5.188 8.363 10.621 1.00 63.41 C ATOM 508 O ARG A 31 6.012 7.730 11.285 1.00 32.30 O ATOM 509 CB ARG A 31 5.806 10.807 10.557 1.00 44.54 C ATOM 510 CG ARG A 31 6.255 12.018 9.740 1.00 43.20 C ATOM 511 CD ARG A 31 7.594 11.777 9.052 1.00 31.04 C ATOM 512 NE ARG A 31 8.675 11.560 10.014 1.00 52.42 N ATOM 513 CZ ARG A 31 9.741 10.841 9.777 1.00 65.40 C ATOM 514 NH1 ARG A 31 9.869 10.190 8.669 1.00 2.22 N ATOM 515 NH2 ARG A 31 10.673 10.754 10.667 1.00 35.10 N ATOM 0 H ARG A 31 3.974 10.476 8.842 1.00 33.33 H new ATOM 0 HA ARG A 31 6.591 9.253 9.278 1.00 55.51 H new ATOM 0 HB2 ARG A 31 4.860 11.040 11.046 1.00 44.54 H new ATOM 0 HB3 ARG A 31 6.535 10.621 11.345 1.00 44.54 H new ATOM 0 HG2 ARG A 31 5.499 12.250 8.990 1.00 43.20 H new ATOM 0 HG3 ARG A 31 6.334 12.887 10.393 1.00 43.20 H new ATOM 0 HD2 ARG A 31 7.513 10.910 8.396 1.00 31.04 H new ATOM 0 HD3 ARG A 31 7.836 12.632 8.421 1.00 31.04 H new ATOM 0 HE ARG A 31 8.591 11.999 10.931 1.00 52.42 H new ATOM 0 HH11 ARG A 31 9.133 10.233 7.964 1.00 2.22 H new ATOM 0 HH12 ARG A 31 10.706 9.633 8.498 1.00 2.22 H new ATOM 0 HH21 ARG A 31 10.578 11.246 11.555 1.00 35.10 H new ATOM 0 HH22 ARG A 31 11.504 10.193 10.482 1.00 35.10 H new ATOM 529 N GLY A 32 3.882 8.087 10.637 1.00 1.42 N ATOM 530 CA GLY A 32 3.347 6.985 11.439 1.00 73.44 C ATOM 531 C GLY A 32 2.561 5.978 10.603 1.00 72.14 C ATOM 532 O GLY A 32 1.338 6.069 10.491 1.00 1.43 O ATOM 0 H GLY A 32 3.181 8.606 10.109 1.00 1.42 H new ATOM 0 HA2 GLY A 32 4.169 6.473 11.940 1.00 73.44 H new ATOM 0 HA3 GLY A 32 2.700 7.388 12.218 1.00 73.44 H new ATOM 536 N ILE A 33 3.263 5.010 10.021 1.00 65.33 N ATOM 537 CA ILE A 33 2.638 4.016 9.135 1.00 72.23 C ATOM 538 C ILE A 33 2.959 2.573 9.583 1.00 20.31 C ATOM 539 O ILE A 33 3.954 2.334 10.270 1.00 71.33 O ATOM 540 CB ILE A 33 3.108 4.234 7.669 1.00 64.51 C ATOM 541 CG1 ILE A 33 2.270 3.395 6.689 1.00 25.30 C ATOM 542 CG2 ILE A 33 4.599 3.919 7.524 1.00 53.31 C ATOM 543 CD1 ILE A 33 2.663 3.576 5.239 1.00 4.25 C ATOM 0 H ILE A 33 4.268 4.887 10.144 1.00 65.33 H new ATOM 0 HA ILE A 33 1.558 4.153 9.193 1.00 72.23 H new ATOM 0 HB ILE A 33 2.958 5.285 7.420 1.00 64.51 H new ATOM 0 HG12 ILE A 33 2.366 2.342 6.953 1.00 25.30 H new ATOM 0 HG13 ILE A 33 1.219 3.659 6.806 1.00 25.30 H new ATOM 0 HG21 ILE A 33 4.906 4.078 6.490 1.00 53.31 H new ATOM 0 HG22 ILE A 33 5.175 4.574 8.178 1.00 53.31 H new ATOM 0 HG23 ILE A 33 4.780 2.880 7.800 1.00 53.31 H new ATOM 0 HD11 ILE A 33 2.028 2.953 4.609 1.00 4.25 H new ATOM 0 HD12 ILE A 33 2.540 4.622 4.956 1.00 4.25 H new ATOM 0 HD13 ILE A 33 3.705 3.284 5.105 1.00 4.25 H new ATOM 555 N ASN A 34 2.107 1.615 9.197 1.00 72.22 N ATOM 556 CA ASN A 34 2.322 0.197 9.534 1.00 55.34 C ATOM 557 C ASN A 34 1.890 -0.715 8.369 1.00 54.14 C ATOM 558 O ASN A 34 0.718 -1.090 8.254 1.00 1.21 O ATOM 559 CB ASN A 34 1.551 -0.168 10.817 1.00 74.44 C ATOM 560 CG ASN A 34 1.839 -1.580 11.316 1.00 10.42 C ATOM 561 OD1 ASN A 34 2.129 -2.485 10.542 1.00 72.03 O ATOM 562 ND2 ASN A 34 1.752 -1.784 12.615 1.00 43.54 N ATOM 0 H ASN A 34 1.263 1.793 8.652 1.00 72.22 H new ATOM 0 HA ASN A 34 3.387 0.043 9.709 1.00 55.34 H new ATOM 0 HB2 ASN A 34 1.806 0.545 11.601 1.00 74.44 H new ATOM 0 HB3 ASN A 34 0.482 -0.068 10.630 1.00 74.44 H new ATOM 0 HD21 ASN A 34 1.928 -2.713 12.998 1.00 43.54 H new ATOM 0 HD22 ASN A 34 1.509 -1.013 13.237 1.00 43.54 H new ATOM 569 N LEU A 35 2.842 -1.066 7.506 1.00 10.32 N ATOM 570 CA LEU A 35 2.560 -1.903 6.331 1.00 55.03 C ATOM 571 C LEU A 35 2.089 -3.311 6.731 1.00 43.51 C ATOM 572 O LEU A 35 1.298 -3.938 6.024 1.00 53.13 O ATOM 573 CB LEU A 35 3.806 -2.002 5.441 1.00 12.33 C ATOM 574 CG LEU A 35 4.333 -0.664 4.892 1.00 2.43 C ATOM 575 CD1 LEU A 35 5.645 -0.869 4.141 1.00 72.11 C ATOM 576 CD2 LEU A 35 3.294 -0.001 3.987 1.00 30.53 C ATOM 0 H LEU A 35 3.819 -0.785 7.595 1.00 10.32 H new ATOM 0 HA LEU A 35 1.752 -1.427 5.776 1.00 55.03 H new ATOM 0 HB2 LEU A 35 4.602 -2.480 6.012 1.00 12.33 H new ATOM 0 HB3 LEU A 35 3.580 -2.657 4.599 1.00 12.33 H new ATOM 0 HG LEU A 35 4.521 -0.002 5.737 1.00 2.43 H new ATOM 0 HD11 LEU A 35 6.000 0.089 3.761 1.00 72.11 H new ATOM 0 HD12 LEU A 35 6.389 -1.290 4.817 1.00 72.11 H new ATOM 0 HD13 LEU A 35 5.484 -1.553 3.307 1.00 72.11 H new ATOM 0 HD21 LEU A 35 3.689 0.943 3.611 1.00 30.53 H new ATOM 0 HD22 LEU A 35 3.068 -0.660 3.149 1.00 30.53 H new ATOM 0 HD23 LEU A 35 2.383 0.187 4.556 1.00 30.53 H new ATOM 588 N ARG A 36 2.575 -3.799 7.871 1.00 62.23 N ATOM 589 CA ARG A 36 2.215 -5.134 8.362 1.00 54.35 C ATOM 590 C ARG A 36 0.705 -5.217 8.664 1.00 61.13 C ATOM 591 O ARG A 36 0.053 -6.212 8.344 1.00 45.22 O ATOM 592 CB ARG A 36 3.056 -5.475 9.609 1.00 44.12 C ATOM 593 CG ARG A 36 3.406 -6.959 9.753 1.00 24.03 C ATOM 594 CD ARG A 36 2.213 -7.810 10.160 1.00 24.11 C ATOM 595 NE ARG A 36 1.695 -7.425 11.468 1.00 24.35 N ATOM 596 CZ ARG A 36 0.871 -8.149 12.171 1.00 35.13 C ATOM 597 NH1 ARG A 36 0.500 -9.321 11.758 1.00 53.00 N ATOM 598 NH2 ARG A 36 0.430 -7.705 13.304 1.00 44.14 N ATOM 0 H ARG A 36 3.221 -3.291 8.475 1.00 62.23 H new ATOM 0 HA ARG A 36 2.433 -5.869 7.587 1.00 54.35 H new ATOM 0 HB2 ARG A 36 3.980 -4.898 9.577 1.00 44.12 H new ATOM 0 HB3 ARG A 36 2.511 -5.155 10.497 1.00 44.12 H new ATOM 0 HG2 ARG A 36 3.803 -7.327 8.807 1.00 24.03 H new ATOM 0 HG3 ARG A 36 4.196 -7.071 10.495 1.00 24.03 H new ATOM 0 HD2 ARG A 36 1.425 -7.712 9.414 1.00 24.11 H new ATOM 0 HD3 ARG A 36 2.505 -8.860 10.179 1.00 24.11 H new ATOM 0 HE ARG A 36 1.997 -6.532 11.857 1.00 24.35 H new ATOM 0 HH11 ARG A 36 0.854 -9.686 10.874 1.00 53.00 H new ATOM 0 HH12 ARG A 36 -0.146 -9.878 12.318 1.00 53.00 H new ATOM 0 HH21 ARG A 36 0.728 -6.791 13.644 1.00 44.14 H new ATOM 0 HH22 ARG A 36 -0.215 -8.269 13.857 1.00 44.14 H new ATOM 612 N LYS A 37 0.153 -4.159 9.268 1.00 51.41 N ATOM 613 CA LYS A 37 -1.293 -4.076 9.533 1.00 13.44 C ATOM 614 C LYS A 37 -2.079 -4.119 8.214 1.00 22.14 C ATOM 615 O LYS A 37 -3.122 -4.766 8.112 1.00 31.13 O ATOM 616 CB LYS A 37 -1.614 -2.787 10.318 1.00 62.13 C ATOM 617 CG LYS A 37 -3.008 -2.754 10.956 1.00 61.32 C ATOM 618 CD LYS A 37 -4.116 -2.339 9.983 1.00 22.42 C ATOM 619 CE LYS A 37 -3.976 -0.885 9.540 1.00 42.05 C ATOM 620 NZ LYS A 37 -5.223 -0.366 8.918 1.00 32.12 N ATOM 0 H LYS A 37 0.683 -3.347 9.584 1.00 51.41 H new ATOM 0 HA LYS A 37 -1.592 -4.932 10.137 1.00 13.44 H new ATOM 0 HB2 LYS A 37 -0.868 -2.660 11.102 1.00 62.13 H new ATOM 0 HB3 LYS A 37 -1.517 -1.935 9.645 1.00 62.13 H new ATOM 0 HG2 LYS A 37 -3.239 -3.741 11.357 1.00 61.32 H new ATOM 0 HG3 LYS A 37 -2.997 -2.062 11.798 1.00 61.32 H new ATOM 0 HD2 LYS A 37 -4.091 -2.988 9.108 1.00 22.42 H new ATOM 0 HD3 LYS A 37 -5.087 -2.481 10.458 1.00 22.42 H new ATOM 0 HE2 LYS A 37 -3.717 -0.268 10.400 1.00 42.05 H new ATOM 0 HE3 LYS A 37 -3.155 -0.801 8.828 1.00 42.05 H new ATOM 0 HZ1 LYS A 37 -5.272 0.665 9.047 1.00 32.12 H new ATOM 0 HZ2 LYS A 37 -5.223 -0.588 7.902 1.00 32.12 H new ATOM 0 HZ3 LYS A 37 -6.047 -0.811 9.369 1.00 32.12 H new ATOM 634 N ILE A 38 -1.561 -3.424 7.202 1.00 43.42 N ATOM 635 CA ILE A 38 -2.164 -3.433 5.866 1.00 22.15 C ATOM 636 C ILE A 38 -2.154 -4.855 5.280 1.00 71.31 C ATOM 637 O ILE A 38 -3.140 -5.303 4.694 1.00 55.22 O ATOM 638 CB ILE A 38 -1.417 -2.467 4.906 1.00 74.13 C ATOM 639 CG1 ILE A 38 -1.416 -1.036 5.475 1.00 22.52 C ATOM 640 CG2 ILE A 38 -2.040 -2.495 3.508 1.00 44.43 C ATOM 641 CD1 ILE A 38 -2.799 -0.457 5.699 1.00 63.44 C ATOM 0 H ILE A 38 -0.724 -2.846 7.280 1.00 43.42 H new ATOM 0 HA ILE A 38 -3.195 -3.093 5.966 1.00 22.15 H new ATOM 0 HB ILE A 38 -0.384 -2.804 4.820 1.00 74.13 H new ATOM 0 HG12 ILE A 38 -0.875 -1.033 6.421 1.00 22.52 H new ATOM 0 HG13 ILE A 38 -0.868 -0.386 4.793 1.00 22.52 H new ATOM 0 HG21 ILE A 38 -1.499 -1.810 2.855 1.00 44.43 H new ATOM 0 HG22 ILE A 38 -1.981 -3.505 3.103 1.00 44.43 H new ATOM 0 HG23 ILE A 38 -3.084 -2.189 3.569 1.00 44.43 H new ATOM 0 HD11 ILE A 38 -2.710 0.552 6.101 1.00 63.44 H new ATOM 0 HD12 ILE A 38 -3.338 -0.425 4.752 1.00 63.44 H new ATOM 0 HD13 ILE A 38 -3.345 -1.082 6.406 1.00 63.44 H new ATOM 653 N ALA A 39 -1.036 -5.559 5.463 1.00 22.02 N ATOM 654 CA ALA A 39 -0.904 -6.949 5.012 1.00 1.04 C ATOM 655 C ALA A 39 -1.983 -7.864 5.625 1.00 22.13 C ATOM 656 O ALA A 39 -2.512 -8.748 4.949 1.00 64.32 O ATOM 657 CB ALA A 39 0.492 -7.476 5.337 1.00 63.42 C ATOM 0 H ALA A 39 -0.204 -5.189 5.922 1.00 22.02 H new ATOM 0 HA ALA A 39 -1.050 -6.959 3.932 1.00 1.04 H new ATOM 0 HB1 ALA A 39 0.579 -8.508 4.998 1.00 63.42 H new ATOM 0 HB2 ALA A 39 1.239 -6.864 4.831 1.00 63.42 H new ATOM 0 HB3 ALA A 39 0.656 -7.433 6.414 1.00 63.42 H new ATOM 663 N GLU A 40 -2.304 -7.648 6.903 1.00 3.32 N ATOM 664 CA GLU A 40 -3.354 -8.428 7.581 1.00 41.24 C ATOM 665 C GLU A 40 -4.734 -8.192 6.944 1.00 73.03 C ATOM 666 O GLU A 40 -5.602 -9.069 6.972 1.00 43.53 O ATOM 667 CB GLU A 40 -3.423 -8.078 9.076 1.00 51.40 C ATOM 668 CG GLU A 40 -2.146 -8.375 9.850 1.00 71.04 C ATOM 669 CD GLU A 40 -2.336 -8.237 11.354 1.00 44.01 C ATOM 670 OE1 GLU A 40 -2.572 -7.105 11.831 1.00 25.11 O ATOM 671 OE2 GLU A 40 -2.256 -9.264 12.069 1.00 73.43 O ATOM 0 H GLU A 40 -1.857 -6.944 7.491 1.00 3.32 H new ATOM 0 HA GLU A 40 -3.089 -9.479 7.467 1.00 41.24 H new ATOM 0 HB2 GLU A 40 -3.658 -7.018 9.178 1.00 51.40 H new ATOM 0 HB3 GLU A 40 -4.245 -8.632 9.529 1.00 51.40 H new ATOM 0 HG2 GLU A 40 -1.811 -9.386 9.620 1.00 71.04 H new ATOM 0 HG3 GLU A 40 -1.359 -7.696 9.522 1.00 71.04 H new ATOM 678 N LEU A 41 -4.928 -7.004 6.375 1.00 54.32 N ATOM 679 CA LEU A 41 -6.199 -6.642 5.734 1.00 53.13 C ATOM 680 C LEU A 41 -6.335 -7.283 4.345 1.00 12.03 C ATOM 681 O LEU A 41 -7.365 -7.143 3.686 1.00 24.31 O ATOM 682 CB LEU A 41 -6.312 -5.115 5.618 1.00 42.43 C ATOM 683 CG LEU A 41 -6.213 -4.345 6.945 1.00 41.14 C ATOM 684 CD1 LEU A 41 -6.285 -2.841 6.703 1.00 1.42 C ATOM 685 CD2 LEU A 41 -7.307 -4.790 7.914 1.00 1.01 C ATOM 0 H LEU A 41 -4.220 -6.270 6.343 1.00 54.32 H new ATOM 0 HA LEU A 41 -7.007 -7.022 6.359 1.00 53.13 H new ATOM 0 HB2 LEU A 41 -5.527 -4.759 4.951 1.00 42.43 H new ATOM 0 HB3 LEU A 41 -7.265 -4.873 5.147 1.00 42.43 H new ATOM 0 HG LEU A 41 -5.247 -4.571 7.397 1.00 41.14 H new ATOM 0 HD11 LEU A 41 -6.213 -2.315 7.655 1.00 1.42 H new ATOM 0 HD12 LEU A 41 -5.461 -2.537 6.057 1.00 1.42 H new ATOM 0 HD13 LEU A 41 -7.232 -2.595 6.223 1.00 1.42 H new ATOM 0 HD21 LEU A 41 -7.217 -4.232 8.846 1.00 1.01 H new ATOM 0 HD22 LEU A 41 -8.285 -4.601 7.471 1.00 1.01 H new ATOM 0 HD23 LEU A 41 -7.201 -5.856 8.118 1.00 1.01 H new ATOM 697 N MET A 42 -5.287 -7.985 3.908 1.00 22.14 N ATOM 698 CA MET A 42 -5.280 -8.648 2.600 1.00 63.01 C ATOM 699 C MET A 42 -5.468 -10.172 2.747 1.00 13.14 C ATOM 700 O MET A 42 -4.500 -10.906 2.955 1.00 2.12 O ATOM 701 CB MET A 42 -3.955 -8.352 1.874 1.00 13.23 C ATOM 702 CG MET A 42 -3.592 -6.871 1.838 1.00 13.32 C ATOM 703 SD MET A 42 -1.984 -6.553 1.078 1.00 45.24 S ATOM 704 CE MET A 42 -2.288 -7.067 -0.609 1.00 73.11 C ATOM 0 H MET A 42 -4.428 -8.110 4.443 1.00 22.14 H new ATOM 0 HA MET A 42 -6.113 -8.258 2.015 1.00 63.01 H new ATOM 0 HB2 MET A 42 -3.152 -8.902 2.364 1.00 13.23 H new ATOM 0 HB3 MET A 42 -4.020 -8.726 0.852 1.00 13.23 H new ATOM 0 HG2 MET A 42 -4.361 -6.328 1.288 1.00 13.32 H new ATOM 0 HG3 MET A 42 -3.590 -6.479 2.855 1.00 13.32 H new ATOM 0 HE1 MET A 42 -1.847 -6.343 -1.295 1.00 73.11 H new ATOM 0 HE2 MET A 42 -1.840 -8.046 -0.777 1.00 73.11 H new ATOM 0 HE3 MET A 42 -3.362 -7.125 -0.784 1.00 73.11 H new ATOM 714 N PRO A 43 -6.719 -10.674 2.654 1.00 51.43 N ATOM 715 CA PRO A 43 -7.008 -12.121 2.757 1.00 34.52 C ATOM 716 C PRO A 43 -6.612 -12.904 1.494 1.00 73.02 C ATOM 717 O PRO A 43 -7.345 -13.775 1.021 1.00 50.13 O ATOM 718 CB PRO A 43 -8.528 -12.146 2.978 1.00 21.01 C ATOM 719 CG PRO A 43 -9.026 -10.921 2.287 1.00 74.14 C ATOM 720 CD PRO A 43 -7.951 -9.878 2.466 1.00 21.22 C ATOM 0 HA PRO A 43 -6.437 -12.602 3.551 1.00 34.52 H new ATOM 0 HB2 PRO A 43 -8.975 -13.047 2.559 1.00 21.01 H new ATOM 0 HB3 PRO A 43 -8.775 -12.131 4.040 1.00 21.01 H new ATOM 0 HG2 PRO A 43 -9.209 -11.116 1.230 1.00 74.14 H new ATOM 0 HG3 PRO A 43 -9.970 -10.587 2.717 1.00 74.14 H new ATOM 0 HD2 PRO A 43 -7.877 -9.225 1.596 1.00 21.22 H new ATOM 0 HD3 PRO A 43 -8.151 -9.240 3.327 1.00 21.22 H new ATOM 728 N GLY A 44 -5.420 -12.621 0.986 1.00 5.31 N ATOM 729 CA GLY A 44 -4.944 -13.245 -0.235 1.00 34.34 C ATOM 730 C GLY A 44 -4.019 -12.324 -1.012 1.00 43.41 C ATOM 731 O GLY A 44 -2.987 -11.900 -0.493 1.00 55.31 O ATOM 0 H GLY A 44 -4.765 -11.960 1.405 1.00 5.31 H new ATOM 0 HA2 GLY A 44 -4.418 -14.168 0.009 1.00 34.34 H new ATOM 0 HA3 GLY A 44 -5.794 -13.518 -0.860 1.00 34.34 H new ATOM 735 N ALA A 45 -4.406 -12.004 -2.243 1.00 2.41 N ATOM 736 CA ALA A 45 -3.633 -11.106 -3.116 1.00 0.15 C ATOM 737 C ALA A 45 -2.207 -11.623 -3.411 1.00 54.30 C ATOM 738 O ALA A 45 -1.420 -11.905 -2.503 1.00 55.14 O ATOM 739 CB ALA A 45 -3.578 -9.704 -2.518 1.00 75.11 C ATOM 0 H ALA A 45 -5.263 -12.356 -2.670 1.00 2.41 H new ATOM 0 HA ALA A 45 -4.155 -11.075 -4.072 1.00 0.15 H new ATOM 0 HB1 ALA A 45 -3.003 -9.051 -3.174 1.00 75.11 H new ATOM 0 HB2 ALA A 45 -4.590 -9.313 -2.413 1.00 75.11 H new ATOM 0 HB3 ALA A 45 -3.101 -9.745 -1.539 1.00 75.11 H new ATOM 745 N SER A 46 -1.874 -11.727 -4.694 1.00 20.23 N ATOM 746 CA SER A 46 -0.549 -12.192 -5.122 1.00 4.11 C ATOM 747 C SER A 46 0.486 -11.063 -5.033 1.00 12.11 C ATOM 748 O SER A 46 0.131 -9.899 -4.832 1.00 5.54 O ATOM 749 CB SER A 46 -0.604 -12.698 -6.569 1.00 2.54 C ATOM 750 OG SER A 46 -0.811 -11.622 -7.477 1.00 74.42 O ATOM 0 H SER A 46 -2.504 -11.495 -5.462 1.00 20.23 H new ATOM 0 HA SER A 46 -0.253 -13.003 -4.456 1.00 4.11 H new ATOM 0 HB2 SER A 46 0.325 -13.212 -6.814 1.00 2.54 H new ATOM 0 HB3 SER A 46 -1.408 -13.427 -6.673 1.00 2.54 H new ATOM 0 HG SER A 46 -1.547 -11.844 -8.085 1.00 74.42 H new ATOM 756 N GLY A 47 1.764 -11.409 -5.202 1.00 0.35 N ATOM 757 CA GLY A 47 2.824 -10.398 -5.232 1.00 32.13 C ATOM 758 C GLY A 47 2.580 -9.317 -6.285 1.00 5.14 C ATOM 759 O GLY A 47 3.016 -8.174 -6.132 1.00 35.14 O ATOM 0 H GLY A 47 2.088 -12.369 -5.319 1.00 0.35 H new ATOM 0 HA2 GLY A 47 2.903 -9.931 -4.250 1.00 32.13 H new ATOM 0 HA3 GLY A 47 3.779 -10.885 -5.431 1.00 32.13 H new ATOM 763 N ALA A 48 1.873 -9.683 -7.355 1.00 14.34 N ATOM 764 CA ALA A 48 1.499 -8.728 -8.404 1.00 3.12 C ATOM 765 C ALA A 48 0.376 -7.793 -7.931 1.00 41.44 C ATOM 766 O ALA A 48 0.388 -6.594 -8.212 1.00 50.02 O ATOM 767 CB ALA A 48 1.073 -9.469 -9.667 1.00 41.33 C ATOM 0 H ALA A 48 1.546 -10.635 -7.520 1.00 14.34 H new ATOM 0 HA ALA A 48 2.373 -8.117 -8.629 1.00 3.12 H new ATOM 0 HB1 ALA A 48 0.798 -8.748 -10.437 1.00 41.33 H new ATOM 0 HB2 ALA A 48 1.899 -10.084 -10.024 1.00 41.33 H new ATOM 0 HB3 ALA A 48 0.217 -10.106 -9.444 1.00 41.33 H new ATOM 773 N GLU A 49 -0.590 -8.353 -7.205 1.00 22.34 N ATOM 774 CA GLU A 49 -1.714 -7.573 -6.676 1.00 54.34 C ATOM 775 C GLU A 49 -1.259 -6.614 -5.563 1.00 21.04 C ATOM 776 O GLU A 49 -1.847 -5.547 -5.369 1.00 20.13 O ATOM 777 CB GLU A 49 -2.819 -8.515 -6.175 1.00 50.04 C ATOM 778 CG GLU A 49 -3.365 -9.419 -7.277 1.00 12.42 C ATOM 779 CD GLU A 49 -4.466 -10.358 -6.805 1.00 75.13 C ATOM 780 OE1 GLU A 49 -4.157 -11.489 -6.375 1.00 24.11 O ATOM 781 OE2 GLU A 49 -5.648 -9.975 -6.878 1.00 63.12 O ATOM 0 H GLU A 49 -0.619 -9.345 -6.968 1.00 22.34 H new ATOM 0 HA GLU A 49 -2.116 -6.962 -7.484 1.00 54.34 H new ATOM 0 HB2 GLU A 49 -2.427 -9.131 -5.366 1.00 50.04 H new ATOM 0 HB3 GLU A 49 -3.634 -7.923 -5.758 1.00 50.04 H new ATOM 0 HG2 GLU A 49 -3.750 -8.799 -8.087 1.00 12.42 H new ATOM 0 HG3 GLU A 49 -2.547 -10.010 -7.689 1.00 12.42 H new ATOM 788 N VAL A 50 -0.200 -6.993 -4.846 1.00 45.43 N ATOM 789 CA VAL A 50 0.432 -6.103 -3.861 1.00 53.52 C ATOM 790 C VAL A 50 0.907 -4.799 -4.534 1.00 22.40 C ATOM 791 O VAL A 50 0.803 -3.707 -3.963 1.00 21.05 O ATOM 792 CB VAL A 50 1.636 -6.794 -3.166 1.00 5.32 C ATOM 793 CG1 VAL A 50 2.322 -5.850 -2.179 1.00 34.11 C ATOM 794 CG2 VAL A 50 1.192 -8.074 -2.456 1.00 65.43 C ATOM 0 H VAL A 50 0.241 -7.909 -4.926 1.00 45.43 H new ATOM 0 HA VAL A 50 -0.318 -5.868 -3.106 1.00 53.52 H new ATOM 0 HB VAL A 50 2.357 -7.058 -3.940 1.00 5.32 H new ATOM 0 HG11 VAL A 50 3.161 -6.363 -1.708 1.00 34.11 H new ATOM 0 HG12 VAL A 50 2.686 -4.970 -2.710 1.00 34.11 H new ATOM 0 HG13 VAL A 50 1.609 -5.543 -1.414 1.00 34.11 H new ATOM 0 HG21 VAL A 50 2.052 -8.541 -1.976 1.00 65.43 H new ATOM 0 HG22 VAL A 50 0.444 -7.831 -1.702 1.00 65.43 H new ATOM 0 HG23 VAL A 50 0.763 -8.764 -3.183 1.00 65.43 H new ATOM 804 N LYS A 51 1.425 -4.928 -5.756 1.00 64.35 N ATOM 805 CA LYS A 51 1.793 -3.768 -6.578 1.00 12.23 C ATOM 806 C LYS A 51 0.561 -2.887 -6.848 1.00 61.13 C ATOM 807 O LYS A 51 0.649 -1.654 -6.839 1.00 54.43 O ATOM 808 CB LYS A 51 2.438 -4.256 -7.893 1.00 53.15 C ATOM 809 CG LYS A 51 2.843 -3.153 -8.882 1.00 1.45 C ATOM 810 CD LYS A 51 1.688 -2.723 -9.793 1.00 55.55 C ATOM 811 CE LYS A 51 1.158 -3.881 -10.635 1.00 5.24 C ATOM 812 NZ LYS A 51 0.026 -3.463 -11.507 1.00 32.04 N ATOM 0 H LYS A 51 1.601 -5.828 -6.203 1.00 64.35 H new ATOM 0 HA LYS A 51 2.519 -3.157 -6.042 1.00 12.23 H new ATOM 0 HB2 LYS A 51 3.324 -4.842 -7.647 1.00 53.15 H new ATOM 0 HB3 LYS A 51 1.740 -4.928 -8.392 1.00 53.15 H new ATOM 0 HG2 LYS A 51 3.204 -2.287 -8.327 1.00 1.45 H new ATOM 0 HG3 LYS A 51 3.672 -3.507 -9.495 1.00 1.45 H new ATOM 0 HD2 LYS A 51 0.879 -2.318 -9.185 1.00 55.55 H new ATOM 0 HD3 LYS A 51 2.025 -1.922 -10.451 1.00 55.55 H new ATOM 0 HE2 LYS A 51 1.963 -4.279 -11.252 1.00 5.24 H new ATOM 0 HE3 LYS A 51 0.831 -4.687 -9.978 1.00 5.24 H new ATOM 0 HZ1 LYS A 51 -0.304 -4.278 -12.062 1.00 32.04 H new ATOM 0 HZ2 LYS A 51 -0.753 -3.107 -10.917 1.00 32.04 H new ATOM 0 HZ3 LYS A 51 0.344 -2.711 -12.152 1.00 32.04 H new ATOM 826 N GLY A 52 -0.582 -3.532 -7.080 1.00 33.54 N ATOM 827 CA GLY A 52 -1.834 -2.808 -7.287 1.00 31.31 C ATOM 828 C GLY A 52 -2.190 -1.898 -6.114 1.00 4.23 C ATOM 829 O GLY A 52 -2.539 -0.731 -6.302 1.00 34.42 O ATOM 0 H GLY A 52 -0.666 -4.547 -7.129 1.00 33.54 H new ATOM 0 HA2 GLY A 52 -1.757 -2.210 -8.195 1.00 31.31 H new ATOM 0 HA3 GLY A 52 -2.641 -3.524 -7.444 1.00 31.31 H new ATOM 833 N VAL A 53 -2.089 -2.435 -4.895 1.00 35.11 N ATOM 834 CA VAL A 53 -2.326 -1.652 -3.676 1.00 73.43 C ATOM 835 C VAL A 53 -1.402 -0.424 -3.616 1.00 33.34 C ATOM 836 O VAL A 53 -1.838 0.686 -3.302 1.00 73.14 O ATOM 837 CB VAL A 53 -2.112 -2.516 -2.406 1.00 13.30 C ATOM 838 CG1 VAL A 53 -2.330 -1.695 -1.134 1.00 44.43 C ATOM 839 CG2 VAL A 53 -3.030 -3.736 -2.430 1.00 65.34 C ATOM 0 H VAL A 53 -1.844 -3.410 -4.724 1.00 35.11 H new ATOM 0 HA VAL A 53 -3.362 -1.316 -3.708 1.00 73.43 H new ATOM 0 HB VAL A 53 -1.078 -2.862 -2.402 1.00 13.30 H new ATOM 0 HG11 VAL A 53 -2.173 -2.328 -0.261 1.00 44.43 H new ATOM 0 HG12 VAL A 53 -1.624 -0.864 -1.112 1.00 44.43 H new ATOM 0 HG13 VAL A 53 -3.348 -1.306 -1.122 1.00 44.43 H new ATOM 0 HG21 VAL A 53 -2.867 -4.332 -1.532 1.00 65.34 H new ATOM 0 HG22 VAL A 53 -4.069 -3.409 -2.465 1.00 65.34 H new ATOM 0 HG23 VAL A 53 -2.810 -4.340 -3.310 1.00 65.34 H new ATOM 849 N CYS A 54 -0.126 -0.636 -3.938 1.00 1.21 N ATOM 850 CA CYS A 54 0.862 0.451 -3.967 1.00 32.03 C ATOM 851 C CYS A 54 0.503 1.505 -5.030 1.00 41.33 C ATOM 852 O CYS A 54 0.742 2.699 -4.843 1.00 11.22 O ATOM 853 CB CYS A 54 2.263 -0.113 -4.248 1.00 1.32 C ATOM 854 SG CYS A 54 2.815 -1.366 -3.061 1.00 42.24 S ATOM 0 H CYS A 54 0.252 -1.551 -4.183 1.00 1.21 H new ATOM 0 HA CYS A 54 0.855 0.934 -2.990 1.00 32.03 H new ATOM 0 HB2 CYS A 54 2.273 -0.547 -5.248 1.00 1.32 H new ATOM 0 HB3 CYS A 54 2.979 0.709 -4.250 1.00 1.32 H new ATOM 0 HG CYS A 54 2.124 -2.455 -3.226 1.00 42.24 H new ATOM 860 N THR A 55 -0.075 1.050 -6.143 1.00 13.43 N ATOM 861 CA THR A 55 -0.479 1.945 -7.241 1.00 50.32 C ATOM 862 C THR A 55 -1.649 2.848 -6.826 1.00 51.41 C ATOM 863 O THR A 55 -1.585 4.073 -6.959 1.00 60.24 O ATOM 864 CB THR A 55 -0.904 1.145 -8.502 1.00 4.31 C ATOM 865 OG1 THR A 55 0.144 0.252 -8.913 1.00 73.14 O ATOM 866 CG2 THR A 55 -1.252 2.076 -9.663 1.00 1.40 C ATOM 0 H THR A 55 -0.276 0.065 -6.313 1.00 13.43 H new ATOM 0 HA THR A 55 0.393 2.557 -7.474 1.00 50.32 H new ATOM 0 HB THR A 55 -1.791 0.570 -8.235 1.00 4.31 H new ATOM 0 HG1 THR A 55 0.317 -0.399 -8.201 1.00 73.14 H new ATOM 0 HG21 THR A 55 -1.545 1.483 -10.529 1.00 1.40 H new ATOM 0 HG22 THR A 55 -2.077 2.727 -9.373 1.00 1.40 H new ATOM 0 HG23 THR A 55 -0.383 2.683 -9.916 1.00 1.40 H new ATOM 874 N GLU A 56 -2.713 2.233 -6.316 1.00 1.41 N ATOM 875 CA GLU A 56 -3.920 2.969 -5.919 1.00 75.42 C ATOM 876 C GLU A 56 -3.665 3.896 -4.723 1.00 1.13 C ATOM 877 O GLU A 56 -4.182 5.013 -4.679 1.00 74.15 O ATOM 878 CB GLU A 56 -5.058 1.991 -5.597 1.00 24.34 C ATOM 879 CG GLU A 56 -5.523 1.170 -6.799 1.00 22.42 C ATOM 880 CD GLU A 56 -5.987 2.034 -7.965 1.00 24.34 C ATOM 881 OE1 GLU A 56 -6.714 3.022 -7.729 1.00 40.22 O ATOM 882 OE2 GLU A 56 -5.641 1.722 -9.125 1.00 64.14 O ATOM 0 H GLU A 56 -2.768 1.226 -6.166 1.00 1.41 H new ATOM 0 HA GLU A 56 -4.209 3.596 -6.762 1.00 75.42 H new ATOM 0 HB2 GLU A 56 -4.730 1.312 -4.810 1.00 24.34 H new ATOM 0 HB3 GLU A 56 -5.905 2.551 -5.202 1.00 24.34 H new ATOM 0 HG2 GLU A 56 -4.707 0.528 -7.131 1.00 22.42 H new ATOM 0 HG3 GLU A 56 -6.339 0.515 -6.492 1.00 22.42 H new ATOM 889 N ALA A 57 -2.867 3.433 -3.759 1.00 42.21 N ATOM 890 CA ALA A 57 -2.521 4.242 -2.579 1.00 65.53 C ATOM 891 C ALA A 57 -1.996 5.631 -2.981 1.00 50.42 C ATOM 892 O ALA A 57 -2.316 6.640 -2.348 1.00 1.11 O ATOM 893 CB ALA A 57 -1.489 3.511 -1.724 1.00 51.42 C ATOM 0 H ALA A 57 -2.446 2.504 -3.768 1.00 42.21 H new ATOM 0 HA ALA A 57 -3.430 4.388 -1.995 1.00 65.53 H new ATOM 0 HB1 ALA A 57 -1.241 4.119 -0.854 1.00 51.42 H new ATOM 0 HB2 ALA A 57 -1.900 2.557 -1.394 1.00 51.42 H new ATOM 0 HB3 ALA A 57 -0.588 3.335 -2.312 1.00 51.42 H new ATOM 899 N GLY A 58 -1.195 5.671 -4.047 1.00 22.55 N ATOM 900 CA GLY A 58 -0.697 6.939 -4.565 1.00 1.10 C ATOM 901 C GLY A 58 -1.799 7.803 -5.176 1.00 31.33 C ATOM 902 O GLY A 58 -1.791 9.024 -5.032 1.00 50.32 O ATOM 0 H GLY A 58 -0.882 4.848 -4.561 1.00 22.55 H new ATOM 0 HA2 GLY A 58 -0.214 7.491 -3.759 1.00 1.10 H new ATOM 0 HA3 GLY A 58 0.065 6.744 -5.319 1.00 1.10 H new ATOM 906 N MET A 59 -2.757 7.165 -5.851 1.00 31.34 N ATOM 907 CA MET A 59 -3.883 7.880 -6.476 1.00 42.32 C ATOM 908 C MET A 59 -4.714 8.646 -5.433 1.00 51.51 C ATOM 909 O MET A 59 -5.109 9.794 -5.658 1.00 64.33 O ATOM 910 CB MET A 59 -4.784 6.897 -7.242 1.00 21.22 C ATOM 911 CG MET A 59 -4.099 6.172 -8.402 1.00 52.05 C ATOM 912 SD MET A 59 -4.191 7.070 -9.973 1.00 32.30 S ATOM 913 CE MET A 59 -3.182 8.521 -9.661 1.00 2.02 C ATOM 0 H MET A 59 -2.780 6.154 -5.982 1.00 31.34 H new ATOM 0 HA MET A 59 -3.465 8.604 -7.175 1.00 42.32 H new ATOM 0 HB2 MET A 59 -5.165 6.154 -6.542 1.00 21.22 H new ATOM 0 HB3 MET A 59 -5.645 7.441 -7.630 1.00 21.22 H new ATOM 0 HG2 MET A 59 -3.052 6.006 -8.148 1.00 52.05 H new ATOM 0 HG3 MET A 59 -4.556 5.190 -8.527 1.00 52.05 H new ATOM 0 HE1 MET A 59 -2.765 8.883 -10.601 1.00 2.02 H new ATOM 0 HE2 MET A 59 -3.796 9.301 -9.211 1.00 2.02 H new ATOM 0 HE3 MET A 59 -2.371 8.261 -8.981 1.00 2.02 H new ATOM 923 N TYR A 60 -4.969 8.007 -4.291 1.00 60.44 N ATOM 924 CA TYR A 60 -5.703 8.643 -3.189 1.00 72.10 C ATOM 925 C TYR A 60 -4.973 9.900 -2.682 1.00 52.14 C ATOM 926 O TYR A 60 -5.578 10.963 -2.515 1.00 44.15 O ATOM 927 CB TYR A 60 -5.891 7.659 -2.027 1.00 54.51 C ATOM 928 CG TYR A 60 -6.820 6.497 -2.326 1.00 14.31 C ATOM 929 CD1 TYR A 60 -8.197 6.681 -2.382 1.00 52.53 C ATOM 930 CD2 TYR A 60 -6.323 5.215 -2.538 1.00 33.23 C ATOM 931 CE1 TYR A 60 -9.050 5.627 -2.641 1.00 33.44 C ATOM 932 CE2 TYR A 60 -7.171 4.156 -2.796 1.00 63.43 C ATOM 933 CZ TYR A 60 -8.533 4.366 -2.847 1.00 60.14 C ATOM 934 OH TYR A 60 -9.383 3.311 -3.097 1.00 24.01 O ATOM 0 H TYR A 60 -4.679 7.048 -4.102 1.00 60.44 H new ATOM 0 HA TYR A 60 -6.679 8.939 -3.575 1.00 72.10 H new ATOM 0 HB2 TYR A 60 -4.916 7.263 -1.742 1.00 54.51 H new ATOM 0 HB3 TYR A 60 -6.278 8.204 -1.166 1.00 54.51 H new ATOM 0 HD1 TYR A 60 -8.607 7.667 -2.220 1.00 52.53 H new ATOM 0 HD2 TYR A 60 -5.257 5.045 -2.500 1.00 33.23 H new ATOM 0 HE1 TYR A 60 -10.117 5.790 -2.682 1.00 33.44 H new ATOM 0 HE2 TYR A 60 -6.769 3.167 -2.957 1.00 63.43 H new ATOM 0 HH TYR A 60 -9.232 2.605 -2.434 1.00 24.01 H new ATOM 944 N ALA A 61 -3.670 9.767 -2.442 1.00 22.11 N ATOM 945 CA ALA A 61 -2.845 10.883 -1.969 1.00 45.32 C ATOM 946 C ALA A 61 -2.784 12.033 -2.995 1.00 31.25 C ATOM 947 O ALA A 61 -3.010 13.199 -2.653 1.00 2.14 O ATOM 948 CB ALA A 61 -1.440 10.388 -1.639 1.00 5.12 C ATOM 0 H ALA A 61 -3.158 8.894 -2.567 1.00 22.11 H new ATOM 0 HA ALA A 61 -3.310 11.281 -1.067 1.00 45.32 H new ATOM 0 HB1 ALA A 61 -0.833 11.223 -1.288 1.00 5.12 H new ATOM 0 HB2 ALA A 61 -1.496 9.628 -0.860 1.00 5.12 H new ATOM 0 HB3 ALA A 61 -0.986 9.960 -2.533 1.00 5.12 H new ATOM 954 N LEU A 62 -2.493 11.695 -4.254 1.00 4.42 N ATOM 955 CA LEU A 62 -2.354 12.696 -5.326 1.00 23.40 C ATOM 956 C LEU A 62 -3.614 13.566 -5.481 1.00 22.32 C ATOM 957 O LEU A 62 -3.521 14.794 -5.544 1.00 61.21 O ATOM 958 CB LEU A 62 -2.022 12.018 -6.666 1.00 70.03 C ATOM 959 CG LEU A 62 -0.624 11.379 -6.754 1.00 52.22 C ATOM 960 CD1 LEU A 62 -0.418 10.712 -8.114 1.00 63.45 C ATOM 961 CD2 LEU A 62 0.465 12.420 -6.484 1.00 72.41 C ATOM 0 H LEU A 62 -2.348 10.733 -4.561 1.00 4.42 H new ATOM 0 HA LEU A 62 -1.532 13.351 -5.038 1.00 23.40 H new ATOM 0 HB2 LEU A 62 -2.768 11.247 -6.858 1.00 70.03 H new ATOM 0 HB3 LEU A 62 -2.116 12.758 -7.461 1.00 70.03 H new ATOM 0 HG LEU A 62 -0.552 10.608 -5.987 1.00 52.22 H new ATOM 0 HD11 LEU A 62 0.576 10.267 -8.154 1.00 63.45 H new ATOM 0 HD12 LEU A 62 -1.169 9.935 -8.256 1.00 63.45 H new ATOM 0 HD13 LEU A 62 -0.514 11.458 -8.903 1.00 63.45 H new ATOM 0 HD21 LEU A 62 1.445 11.947 -6.551 1.00 72.41 H new ATOM 0 HD22 LEU A 62 0.396 13.219 -7.223 1.00 72.41 H new ATOM 0 HD23 LEU A 62 0.331 12.836 -5.486 1.00 72.41 H new ATOM 973 N ARG A 63 -4.790 12.940 -5.534 1.00 64.54 N ATOM 974 CA ARG A 63 -6.042 13.694 -5.689 1.00 42.40 C ATOM 975 C ARG A 63 -6.276 14.631 -4.492 1.00 13.14 C ATOM 976 O ARG A 63 -6.889 15.688 -4.625 1.00 74.30 O ATOM 977 CB ARG A 63 -7.242 12.750 -5.865 1.00 15.32 C ATOM 978 CG ARG A 63 -7.638 11.987 -4.602 1.00 64.42 C ATOM 979 CD ARG A 63 -8.946 11.224 -4.791 1.00 43.35 C ATOM 980 NE ARG A 63 -9.411 10.597 -3.551 1.00 22.21 N ATOM 981 CZ ARG A 63 -10.669 10.389 -3.262 1.00 1.12 C ATOM 982 NH1 ARG A 63 -11.604 10.789 -4.062 1.00 21.24 N ATOM 983 NH2 ARG A 63 -10.988 9.794 -2.162 1.00 11.44 N ATOM 0 H ARG A 63 -4.906 11.928 -5.473 1.00 64.54 H new ATOM 0 HA ARG A 63 -5.947 14.301 -6.590 1.00 42.40 H new ATOM 0 HB2 ARG A 63 -8.098 13.331 -6.207 1.00 15.32 H new ATOM 0 HB3 ARG A 63 -7.011 12.031 -6.651 1.00 15.32 H new ATOM 0 HG2 ARG A 63 -6.845 11.289 -4.335 1.00 64.42 H new ATOM 0 HG3 ARG A 63 -7.741 12.686 -3.772 1.00 64.42 H new ATOM 0 HD2 ARG A 63 -9.712 11.907 -5.159 1.00 43.35 H new ATOM 0 HD3 ARG A 63 -8.809 10.457 -5.554 1.00 43.35 H new ATOM 0 HE ARG A 63 -8.709 10.305 -2.871 1.00 22.21 H new ATOM 0 HH11 ARG A 63 -11.363 11.272 -4.928 1.00 21.24 H new ATOM 0 HH12 ARG A 63 -12.582 10.622 -3.827 1.00 21.24 H new ATOM 0 HH21 ARG A 63 -10.259 9.486 -1.519 1.00 11.44 H new ATOM 0 HH22 ARG A 63 -11.969 9.632 -1.936 1.00 11.44 H new ATOM 997 N GLU A 64 -5.765 14.246 -3.324 1.00 42.23 N ATOM 998 CA GLU A 64 -5.893 15.066 -2.115 1.00 65.11 C ATOM 999 C GLU A 64 -4.691 16.007 -1.941 1.00 41.25 C ATOM 1000 O GLU A 64 -4.464 16.545 -0.857 1.00 1.13 O ATOM 1001 CB GLU A 64 -6.053 14.171 -0.877 1.00 10.34 C ATOM 1002 CG GLU A 64 -7.351 13.371 -0.864 1.00 24.42 C ATOM 1003 CD GLU A 64 -7.616 12.706 0.477 1.00 55.13 C ATOM 1004 OE1 GLU A 64 -7.963 13.422 1.438 1.00 24.50 O ATOM 1005 OE2 GLU A 64 -7.462 11.475 0.586 1.00 4.23 O ATOM 0 H GLU A 64 -5.258 13.372 -3.187 1.00 42.23 H new ATOM 0 HA GLU A 64 -6.785 15.683 -2.225 1.00 65.11 H new ATOM 0 HB2 GLU A 64 -5.211 13.481 -0.827 1.00 10.34 H new ATOM 0 HB3 GLU A 64 -6.010 14.792 0.018 1.00 10.34 H new ATOM 0 HG2 GLU A 64 -8.183 14.032 -1.108 1.00 24.42 H new ATOM 0 HG3 GLU A 64 -7.311 12.608 -1.642 1.00 24.42 H new ATOM 1012 N ARG A 65 -3.930 16.198 -3.024 1.00 5.21 N ATOM 1013 CA ARG A 65 -2.787 17.129 -3.052 1.00 32.35 C ATOM 1014 C ARG A 65 -1.652 16.704 -2.096 1.00 20.44 C ATOM 1015 O ARG A 65 -0.683 17.445 -1.898 1.00 4.12 O ATOM 1016 CB ARG A 65 -3.234 18.570 -2.723 1.00 63.32 C ATOM 1017 CG ARG A 65 -4.151 19.221 -3.766 1.00 40.22 C ATOM 1018 CD ARG A 65 -5.571 18.650 -3.752 1.00 63.12 C ATOM 1019 NE ARG A 65 -6.510 19.488 -4.496 1.00 52.02 N ATOM 1020 CZ ARG A 65 -7.725 19.135 -4.819 1.00 22.03 C ATOM 1021 NH1 ARG A 65 -8.157 17.940 -4.587 1.00 54.35 N ATOM 1022 NH2 ARG A 65 -8.503 19.980 -5.405 1.00 32.31 N ATOM 0 H ARG A 65 -4.086 15.713 -3.908 1.00 5.21 H new ATOM 0 HA ARG A 65 -2.394 17.097 -4.068 1.00 32.35 H new ATOM 0 HB2 ARG A 65 -3.749 18.564 -1.762 1.00 63.32 H new ATOM 0 HB3 ARG A 65 -2.346 19.191 -2.604 1.00 63.32 H new ATOM 0 HG2 ARG A 65 -4.195 20.295 -3.584 1.00 40.22 H new ATOM 0 HG3 ARG A 65 -3.720 19.084 -4.758 1.00 40.22 H new ATOM 0 HD2 ARG A 65 -5.562 17.648 -4.181 1.00 63.12 H new ATOM 0 HD3 ARG A 65 -5.912 18.552 -2.721 1.00 63.12 H new ATOM 0 HE ARG A 65 -6.194 20.414 -4.783 1.00 52.02 H new ATOM 0 HH11 ARG A 65 -7.546 17.254 -4.144 1.00 54.35 H new ATOM 0 HH12 ARG A 65 -9.109 17.683 -4.846 1.00 54.35 H new ATOM 0 HH21 ARG A 65 -8.169 20.921 -5.615 1.00 32.31 H new ATOM 0 HH22 ARG A 65 -9.453 19.708 -5.659 1.00 32.31 H new ATOM 1036 N ARG A 66 -1.760 15.502 -1.530 1.00 31.23 N ATOM 1037 CA ARG A 66 -0.785 15.009 -0.548 1.00 61.43 C ATOM 1038 C ARG A 66 0.375 14.256 -1.220 1.00 64.32 C ATOM 1039 O ARG A 66 0.172 13.223 -1.856 1.00 50.00 O ATOM 1040 CB ARG A 66 -1.479 14.090 0.471 1.00 35.13 C ATOM 1041 CG ARG A 66 -2.451 14.817 1.400 1.00 15.12 C ATOM 1042 CD ARG A 66 -3.100 13.869 2.408 1.00 75.43 C ATOM 1043 NE ARG A 66 -4.063 12.959 1.782 1.00 45.14 N ATOM 1044 CZ ARG A 66 -3.865 11.679 1.592 1.00 71.23 C ATOM 1045 NH1 ARG A 66 -2.734 11.127 1.890 1.00 24.50 N ATOM 1046 NH2 ARG A 66 -4.802 10.953 1.087 1.00 41.31 N ATOM 0 H ARG A 66 -2.515 14.847 -1.734 1.00 31.23 H new ATOM 0 HA ARG A 66 -0.369 15.877 -0.037 1.00 61.43 H new ATOM 0 HB2 ARG A 66 -2.020 13.311 -0.066 1.00 35.13 H new ATOM 0 HB3 ARG A 66 -0.719 13.593 1.074 1.00 35.13 H new ATOM 0 HG2 ARG A 66 -1.921 15.605 1.934 1.00 15.12 H new ATOM 0 HG3 ARG A 66 -3.227 15.300 0.806 1.00 15.12 H new ATOM 0 HD2 ARG A 66 -2.325 13.286 2.905 1.00 75.43 H new ATOM 0 HD3 ARG A 66 -3.604 14.452 3.178 1.00 75.43 H new ATOM 0 HE ARG A 66 -4.952 13.351 1.472 1.00 45.14 H new ATOM 0 HH11 ARG A 66 -1.978 11.691 2.280 1.00 24.50 H new ATOM 0 HH12 ARG A 66 -2.598 10.128 1.735 1.00 24.50 H new ATOM 0 HH21 ARG A 66 -5.696 11.376 0.836 1.00 41.31 H new ATOM 0 HH22 ARG A 66 -4.650 9.955 0.938 1.00 41.31 H new ATOM 1060 N VAL A 67 1.590 14.780 -1.068 1.00 60.24 N ATOM 1061 CA VAL A 67 2.789 14.131 -1.615 1.00 32.03 C ATOM 1062 C VAL A 67 3.121 12.838 -0.851 1.00 44.14 C ATOM 1063 O VAL A 67 3.548 11.844 -1.444 1.00 52.31 O ATOM 1064 CB VAL A 67 4.015 15.085 -1.574 1.00 73.54 C ATOM 1065 CG1 VAL A 67 5.263 14.405 -2.140 1.00 11.32 C ATOM 1066 CG2 VAL A 67 3.716 16.377 -2.331 1.00 35.31 C ATOM 0 H VAL A 67 1.774 15.652 -0.571 1.00 60.24 H new ATOM 0 HA VAL A 67 2.570 13.882 -2.653 1.00 32.03 H new ATOM 0 HB VAL A 67 4.212 15.333 -0.531 1.00 73.54 H new ATOM 0 HG11 VAL A 67 6.105 15.096 -2.098 1.00 11.32 H new ATOM 0 HG12 VAL A 67 5.493 13.518 -1.550 1.00 11.32 H new ATOM 0 HG13 VAL A 67 5.082 14.116 -3.175 1.00 11.32 H new ATOM 0 HG21 VAL A 67 4.586 17.032 -2.291 1.00 35.31 H new ATOM 0 HG22 VAL A 67 3.484 16.144 -3.370 1.00 35.31 H new ATOM 0 HG23 VAL A 67 2.863 16.878 -1.873 1.00 35.31 H new ATOM 1076 N HIS A 68 2.920 12.857 0.466 1.00 52.41 N ATOM 1077 CA HIS A 68 3.192 11.684 1.304 1.00 22.41 C ATOM 1078 C HIS A 68 1.950 10.785 1.448 1.00 31.42 C ATOM 1079 O HIS A 68 0.880 11.239 1.865 1.00 74.35 O ATOM 1080 CB HIS A 68 3.697 12.114 2.691 1.00 71.03 C ATOM 1081 CG HIS A 68 2.710 12.909 3.495 1.00 33.32 C ATOM 1082 ND1 HIS A 68 2.608 14.277 3.420 1.00 71.14 N ATOM 1083 CD2 HIS A 68 1.774 12.519 4.395 1.00 43.00 C ATOM 1084 CE1 HIS A 68 1.660 14.696 4.230 1.00 52.31 C ATOM 1085 NE2 HIS A 68 1.136 13.650 4.834 1.00 4.02 N ATOM 0 H HIS A 68 2.571 13.668 0.977 1.00 52.41 H new ATOM 0 HA HIS A 68 3.969 11.104 0.807 1.00 22.41 H new ATOM 0 HB2 HIS A 68 3.972 11.223 3.255 1.00 71.03 H new ATOM 0 HB3 HIS A 68 4.604 12.705 2.566 1.00 71.03 H new ATOM 0 HD2 HIS A 68 1.569 11.506 4.708 1.00 43.00 H new ATOM 0 HE1 HIS A 68 1.362 15.724 4.375 1.00 52.31 H new ATOM 0 HE2 HIS A 68 0.379 13.677 5.517 1.00 4.02 H new ATOM 1094 N VAL A 69 2.105 9.511 1.106 1.00 34.24 N ATOM 1095 CA VAL A 69 1.026 8.529 1.252 1.00 20.31 C ATOM 1096 C VAL A 69 0.898 8.067 2.719 1.00 3.14 C ATOM 1097 O VAL A 69 1.899 7.913 3.425 1.00 50.02 O ATOM 1098 CB VAL A 69 1.263 7.303 0.332 1.00 31.35 C ATOM 1099 CG1 VAL A 69 0.100 6.313 0.414 1.00 44.45 C ATOM 1100 CG2 VAL A 69 1.497 7.753 -1.110 1.00 3.30 C ATOM 0 H VAL A 69 2.970 9.128 0.724 1.00 34.24 H new ATOM 0 HA VAL A 69 0.096 9.014 0.955 1.00 20.31 H new ATOM 0 HB VAL A 69 2.158 6.788 0.681 1.00 31.35 H new ATOM 0 HG11 VAL A 69 0.297 5.465 -0.242 1.00 44.45 H new ATOM 0 HG12 VAL A 69 -0.006 5.961 1.440 1.00 44.45 H new ATOM 0 HG13 VAL A 69 -0.821 6.807 0.103 1.00 44.45 H new ATOM 0 HG21 VAL A 69 1.662 6.880 -1.741 1.00 3.30 H new ATOM 0 HG22 VAL A 69 0.624 8.300 -1.467 1.00 3.30 H new ATOM 0 HG23 VAL A 69 2.373 8.401 -1.151 1.00 3.30 H new ATOM 1110 N THR A 70 -0.332 7.854 3.175 1.00 13.24 N ATOM 1111 CA THR A 70 -0.594 7.528 4.587 1.00 1.31 C ATOM 1112 C THR A 70 -1.115 6.097 4.762 1.00 10.13 C ATOM 1113 O THR A 70 -1.401 5.397 3.789 1.00 65.14 O ATOM 1114 CB THR A 70 -1.635 8.491 5.213 1.00 65.24 C ATOM 1115 OG1 THR A 70 -2.955 8.157 4.754 1.00 4.31 O ATOM 1116 CG2 THR A 70 -1.322 9.945 4.860 1.00 0.05 C ATOM 0 H THR A 70 -1.169 7.900 2.593 1.00 13.24 H new ATOM 0 HA THR A 70 0.365 7.633 5.094 1.00 1.31 H new ATOM 0 HB THR A 70 -1.587 8.380 6.296 1.00 65.24 H new ATOM 0 HG1 THR A 70 -2.981 8.198 3.775 1.00 4.31 H new ATOM 0 HG21 THR A 70 -2.068 10.598 5.312 1.00 0.05 H new ATOM 0 HG22 THR A 70 -0.334 10.207 5.238 1.00 0.05 H new ATOM 0 HG23 THR A 70 -1.340 10.069 3.777 1.00 0.05 H new ATOM 1124 N GLN A 71 -1.244 5.679 6.020 1.00 35.10 N ATOM 1125 CA GLN A 71 -1.812 4.370 6.356 1.00 35.24 C ATOM 1126 C GLN A 71 -3.235 4.221 5.790 1.00 22.42 C ATOM 1127 O GLN A 71 -3.634 3.141 5.347 1.00 21.42 O ATOM 1128 CB GLN A 71 -1.844 4.203 7.885 1.00 21.10 C ATOM 1129 CG GLN A 71 -2.302 2.826 8.360 1.00 72.30 C ATOM 1130 CD GLN A 71 -1.258 1.742 8.142 1.00 71.21 C ATOM 1131 OE1 GLN A 71 -0.464 1.795 7.213 1.00 45.54 O ATOM 1132 NE2 GLN A 71 -1.241 0.756 9.010 1.00 21.30 N ATOM 0 H GLN A 71 -0.961 6.231 6.830 1.00 35.10 H new ATOM 0 HA GLN A 71 -1.185 3.598 5.910 1.00 35.24 H new ATOM 0 HB2 GLN A 71 -0.847 4.397 8.280 1.00 21.10 H new ATOM 0 HB3 GLN A 71 -2.507 4.958 8.307 1.00 21.10 H new ATOM 0 HG2 GLN A 71 -2.548 2.877 9.421 1.00 72.30 H new ATOM 0 HG3 GLN A 71 -3.217 2.552 7.834 1.00 72.30 H new ATOM 0 HE21 GLN A 71 -1.916 0.738 9.775 1.00 21.30 H new ATOM 0 HE22 GLN A 71 -0.553 0.008 8.919 1.00 21.30 H new ATOM 1141 N GLU A 72 -3.984 5.327 5.798 1.00 51.32 N ATOM 1142 CA GLU A 72 -5.375 5.341 5.331 1.00 72.41 C ATOM 1143 C GLU A 72 -5.463 5.028 3.830 1.00 34.23 C ATOM 1144 O GLU A 72 -6.338 4.279 3.386 1.00 72.42 O ATOM 1145 CB GLU A 72 -6.002 6.713 5.627 1.00 50.42 C ATOM 1146 CG GLU A 72 -5.898 7.127 7.095 1.00 24.02 C ATOM 1147 CD GLU A 72 -6.463 8.514 7.366 1.00 33.51 C ATOM 1148 OE1 GLU A 72 -5.725 9.510 7.199 1.00 62.40 O ATOM 1149 OE2 GLU A 72 -7.647 8.617 7.752 1.00 22.01 O ATOM 0 H GLU A 72 -3.647 6.232 6.126 1.00 51.32 H new ATOM 0 HA GLU A 72 -5.926 4.566 5.863 1.00 72.41 H new ATOM 0 HB2 GLU A 72 -5.514 7.467 5.010 1.00 50.42 H new ATOM 0 HB3 GLU A 72 -7.052 6.694 5.337 1.00 50.42 H new ATOM 0 HG2 GLU A 72 -6.427 6.399 7.710 1.00 24.02 H new ATOM 0 HG3 GLU A 72 -4.852 7.101 7.400 1.00 24.02 H new ATOM 1156 N ASP A 73 -4.539 5.592 3.058 1.00 62.21 N ATOM 1157 CA ASP A 73 -4.503 5.386 1.606 1.00 72.23 C ATOM 1158 C ASP A 73 -4.257 3.911 1.243 1.00 63.11 C ATOM 1159 O ASP A 73 -4.914 3.365 0.353 1.00 62.42 O ATOM 1160 CB ASP A 73 -3.418 6.268 0.982 1.00 32.34 C ATOM 1161 CG ASP A 73 -3.652 7.744 1.248 1.00 41.21 C ATOM 1162 OD1 ASP A 73 -4.683 8.272 0.796 1.00 5.22 O ATOM 1163 OD2 ASP A 73 -2.813 8.380 1.922 1.00 40.10 O ATOM 0 H ASP A 73 -3.800 6.199 3.412 1.00 62.21 H new ATOM 0 HA ASP A 73 -5.478 5.666 1.206 1.00 72.23 H new ATOM 0 HB2 ASP A 73 -2.445 5.979 1.380 1.00 32.34 H new ATOM 0 HB3 ASP A 73 -3.387 6.095 -0.094 1.00 32.34 H new ATOM 1168 N PHE A 74 -3.313 3.270 1.935 1.00 60.21 N ATOM 1169 CA PHE A 74 -2.990 1.857 1.686 1.00 71.11 C ATOM 1170 C PHE A 74 -4.193 0.933 1.934 1.00 63.43 C ATOM 1171 O PHE A 74 -4.552 0.133 1.070 1.00 44.31 O ATOM 1172 CB PHE A 74 -1.796 1.407 2.543 1.00 72.31 C ATOM 1173 CG PHE A 74 -0.460 1.867 2.012 1.00 13.21 C ATOM 1174 CD1 PHE A 74 0.183 1.150 1.010 1.00 12.10 C ATOM 1175 CD2 PHE A 74 0.149 3.013 2.503 1.00 4.50 C ATOM 1176 CE1 PHE A 74 1.403 1.565 0.513 1.00 20.43 C ATOM 1177 CE2 PHE A 74 1.368 3.431 2.007 1.00 34.23 C ATOM 1178 CZ PHE A 74 1.996 2.708 1.012 1.00 74.41 C ATOM 0 H PHE A 74 -2.757 3.703 2.672 1.00 60.21 H new ATOM 0 HA PHE A 74 -2.722 1.778 0.632 1.00 71.11 H new ATOM 0 HB2 PHE A 74 -1.924 1.787 3.557 1.00 72.31 H new ATOM 0 HB3 PHE A 74 -1.796 0.319 2.608 1.00 72.31 H new ATOM 0 HD1 PHE A 74 -0.277 0.257 0.615 1.00 12.10 H new ATOM 0 HD2 PHE A 74 -0.335 3.584 3.281 1.00 4.50 H new ATOM 0 HE1 PHE A 74 1.892 0.997 -0.264 1.00 20.43 H new ATOM 0 HE2 PHE A 74 1.831 4.325 2.398 1.00 34.23 H new ATOM 0 HZ PHE A 74 2.949 3.036 0.625 1.00 74.41 H new ATOM 1188 N GLU A 75 -4.820 1.037 3.108 1.00 14.12 N ATOM 1189 CA GLU A 75 -5.973 0.179 3.426 1.00 61.32 C ATOM 1190 C GLU A 75 -7.168 0.460 2.496 1.00 22.13 C ATOM 1191 O GLU A 75 -7.898 -0.457 2.115 1.00 32.42 O ATOM 1192 CB GLU A 75 -6.381 0.316 4.903 1.00 71.33 C ATOM 1193 CG GLU A 75 -6.642 1.744 5.367 1.00 21.11 C ATOM 1194 CD GLU A 75 -7.132 1.800 6.804 1.00 15.42 C ATOM 1195 OE1 GLU A 75 -6.292 1.754 7.730 1.00 12.33 O ATOM 1196 OE2 GLU A 75 -8.364 1.877 7.016 1.00 73.04 O ATOM 0 H GLU A 75 -4.558 1.692 3.844 1.00 14.12 H new ATOM 0 HA GLU A 75 -5.662 -0.852 3.257 1.00 61.32 H new ATOM 0 HB2 GLU A 75 -7.281 -0.276 5.073 1.00 71.33 H new ATOM 0 HB3 GLU A 75 -5.595 -0.114 5.523 1.00 71.33 H new ATOM 0 HG2 GLU A 75 -5.726 2.327 5.274 1.00 21.11 H new ATOM 0 HG3 GLU A 75 -7.382 2.207 4.714 1.00 21.11 H new ATOM 1203 N MET A 76 -7.359 1.725 2.119 1.00 22.53 N ATOM 1204 CA MET A 76 -8.374 2.086 1.118 1.00 4.35 C ATOM 1205 C MET A 76 -8.023 1.503 -0.262 1.00 21.22 C ATOM 1206 O MET A 76 -8.907 1.144 -1.044 1.00 33.31 O ATOM 1207 CB MET A 76 -8.525 3.610 1.026 1.00 65.10 C ATOM 1208 CG MET A 76 -9.279 4.218 2.202 1.00 31.44 C ATOM 1209 SD MET A 76 -10.963 3.575 2.344 1.00 11.21 S ATOM 1210 CE MET A 76 -11.668 4.105 0.782 1.00 65.03 C ATOM 0 H MET A 76 -6.830 2.515 2.487 1.00 22.53 H new ATOM 0 HA MET A 76 -9.324 1.658 1.438 1.00 4.35 H new ATOM 0 HB2 MET A 76 -7.535 4.062 0.966 1.00 65.10 H new ATOM 0 HB3 MET A 76 -9.046 3.860 0.102 1.00 65.10 H new ATOM 0 HG2 MET A 76 -8.735 4.013 3.124 1.00 31.44 H new ATOM 0 HG3 MET A 76 -9.315 5.301 2.087 1.00 31.44 H new ATOM 0 HE1 MET A 76 -12.756 4.091 0.850 1.00 65.03 H new ATOM 0 HE2 MET A 76 -11.331 5.117 0.556 1.00 65.03 H new ATOM 0 HE3 MET A 76 -11.346 3.430 -0.010 1.00 65.03 H new ATOM 1220 N ALA A 77 -6.728 1.429 -0.557 1.00 32.51 N ATOM 1221 CA ALA A 77 -6.249 0.805 -1.793 1.00 72.31 C ATOM 1222 C ALA A 77 -6.557 -0.699 -1.815 1.00 24.12 C ATOM 1223 O ALA A 77 -7.061 -1.220 -2.809 1.00 41.41 O ATOM 1224 CB ALA A 77 -4.755 1.049 -1.967 1.00 42.31 C ATOM 0 H ALA A 77 -5.988 1.793 0.043 1.00 32.51 H new ATOM 0 HA ALA A 77 -6.778 1.265 -2.628 1.00 72.31 H new ATOM 0 HB1 ALA A 77 -4.415 0.579 -2.890 1.00 42.31 H new ATOM 0 HB2 ALA A 77 -4.565 2.121 -2.014 1.00 42.31 H new ATOM 0 HB3 ALA A 77 -4.216 0.621 -1.122 1.00 42.31 H new ATOM 1230 N VAL A 78 -6.266 -1.389 -0.710 1.00 34.53 N ATOM 1231 CA VAL A 78 -6.571 -2.823 -0.579 1.00 24.03 C ATOM 1232 C VAL A 78 -8.055 -3.102 -0.865 1.00 14.12 C ATOM 1233 O VAL A 78 -8.396 -3.992 -1.652 1.00 24.44 O ATOM 1234 CB VAL A 78 -6.228 -3.346 0.840 1.00 72.43 C ATOM 1235 CG1 VAL A 78 -6.604 -4.822 0.987 1.00 14.43 C ATOM 1236 CG2 VAL A 78 -4.748 -3.130 1.160 1.00 32.12 C ATOM 0 H VAL A 78 -5.819 -0.981 0.111 1.00 34.53 H new ATOM 0 HA VAL A 78 -5.956 -3.345 -1.312 1.00 24.03 H new ATOM 0 HB VAL A 78 -6.817 -2.774 1.557 1.00 72.43 H new ATOM 0 HG11 VAL A 78 -6.353 -5.163 1.991 1.00 14.43 H new ATOM 0 HG12 VAL A 78 -7.674 -4.943 0.820 1.00 14.43 H new ATOM 0 HG13 VAL A 78 -6.053 -5.412 0.255 1.00 14.43 H new ATOM 0 HG21 VAL A 78 -4.534 -3.505 2.161 1.00 32.12 H new ATOM 0 HG22 VAL A 78 -4.137 -3.665 0.433 1.00 32.12 H new ATOM 0 HG23 VAL A 78 -4.518 -2.066 1.115 1.00 32.12 H new ATOM 1246 N ALA A 79 -8.930 -2.326 -0.227 1.00 54.30 N ATOM 1247 CA ALA A 79 -10.378 -2.458 -0.423 1.00 4.40 C ATOM 1248 C ALA A 79 -10.785 -2.249 -1.895 1.00 41.24 C ATOM 1249 O ALA A 79 -11.781 -2.807 -2.357 1.00 31.12 O ATOM 1250 CB ALA A 79 -11.116 -1.468 0.470 1.00 14.33 C ATOM 0 H ALA A 79 -8.663 -1.596 0.433 1.00 54.30 H new ATOM 0 HA ALA A 79 -10.656 -3.476 -0.149 1.00 4.40 H new ATOM 0 HB1 ALA A 79 -12.190 -1.572 0.319 1.00 14.33 H new ATOM 0 HB2 ALA A 79 -10.875 -1.670 1.514 1.00 14.33 H new ATOM 0 HB3 ALA A 79 -10.811 -0.453 0.217 1.00 14.33 H new ATOM 1256 N LYS A 80 -10.015 -1.439 -2.622 1.00 3.43 N ATOM 1257 CA LYS A 80 -10.296 -1.167 -4.038 1.00 0.31 C ATOM 1258 C LYS A 80 -9.749 -2.280 -4.952 1.00 61.35 C ATOM 1259 O LYS A 80 -10.439 -2.745 -5.860 1.00 54.15 O ATOM 1260 CB LYS A 80 -9.705 0.190 -4.445 1.00 31.32 C ATOM 1261 CG LYS A 80 -10.038 0.601 -5.877 1.00 11.20 C ATOM 1262 CD LYS A 80 -9.507 1.993 -6.210 1.00 42.23 C ATOM 1263 CE LYS A 80 -9.883 2.422 -7.624 1.00 34.30 C ATOM 1264 NZ LYS A 80 -9.360 3.775 -7.950 1.00 62.33 N ATOM 0 H LYS A 80 -9.192 -0.959 -2.257 1.00 3.43 H new ATOM 0 HA LYS A 80 -11.379 -1.140 -4.161 1.00 0.31 H new ATOM 0 HB2 LYS A 80 -10.073 0.956 -3.762 1.00 31.32 H new ATOM 0 HB3 LYS A 80 -8.622 0.154 -4.330 1.00 31.32 H new ATOM 0 HG2 LYS A 80 -9.613 -0.125 -6.571 1.00 11.20 H new ATOM 0 HG3 LYS A 80 -11.119 0.582 -6.018 1.00 11.20 H new ATOM 0 HD2 LYS A 80 -9.903 2.713 -5.495 1.00 42.23 H new ATOM 0 HD3 LYS A 80 -8.422 2.003 -6.104 1.00 42.23 H new ATOM 0 HE2 LYS A 80 -9.491 1.699 -8.339 1.00 34.30 H new ATOM 0 HE3 LYS A 80 -10.968 2.417 -7.729 1.00 34.30 H new ATOM 0 HZ1 LYS A 80 -9.680 4.051 -8.900 1.00 62.33 H new ATOM 0 HZ2 LYS A 80 -9.714 4.461 -7.253 1.00 62.33 H new ATOM 0 HZ3 LYS A 80 -8.320 3.761 -7.925 1.00 62.33 H new ATOM 1278 N VAL A 81 -8.510 -2.705 -4.707 1.00 21.44 N ATOM 1279 CA VAL A 81 -7.879 -3.763 -5.510 1.00 60.35 C ATOM 1280 C VAL A 81 -8.614 -5.103 -5.351 1.00 44.25 C ATOM 1281 O VAL A 81 -8.995 -5.736 -6.341 1.00 22.43 O ATOM 1282 CB VAL A 81 -6.384 -3.947 -5.133 1.00 5.34 C ATOM 1283 CG1 VAL A 81 -5.738 -5.059 -5.963 1.00 51.45 C ATOM 1284 CG2 VAL A 81 -5.623 -2.632 -5.305 1.00 45.24 C ATOM 0 H VAL A 81 -7.920 -2.336 -3.961 1.00 21.44 H new ATOM 0 HA VAL A 81 -7.944 -3.447 -6.551 1.00 60.35 H new ATOM 0 HB VAL A 81 -6.334 -4.241 -4.085 1.00 5.34 H new ATOM 0 HG11 VAL A 81 -4.691 -5.165 -5.677 1.00 51.45 H new ATOM 0 HG12 VAL A 81 -6.261 -5.998 -5.782 1.00 51.45 H new ATOM 0 HG13 VAL A 81 -5.801 -4.807 -7.021 1.00 51.45 H new ATOM 0 HG21 VAL A 81 -4.577 -2.779 -5.036 1.00 45.24 H new ATOM 0 HG22 VAL A 81 -5.689 -2.307 -6.343 1.00 45.24 H new ATOM 0 HG23 VAL A 81 -6.060 -1.871 -4.658 1.00 45.24 H new ATOM 1294 N MET A 82 -8.828 -5.524 -4.105 1.00 52.22 N ATOM 1295 CA MET A 82 -9.533 -6.783 -3.828 1.00 43.21 C ATOM 1296 C MET A 82 -11.054 -6.618 -3.977 1.00 74.24 C ATOM 1297 O MET A 82 -11.794 -7.601 -3.974 1.00 2.35 O ATOM 1298 CB MET A 82 -9.202 -7.291 -2.418 1.00 23.00 C ATOM 1299 CG MET A 82 -7.710 -7.448 -2.149 1.00 2.24 C ATOM 1300 SD MET A 82 -7.367 -8.448 -0.689 1.00 14.13 S ATOM 1301 CE MET A 82 -7.971 -10.048 -1.230 1.00 51.12 C ATOM 0 H MET A 82 -8.527 -5.017 -3.273 1.00 52.22 H new ATOM 0 HA MET A 82 -9.193 -7.515 -4.560 1.00 43.21 H new ATOM 0 HB2 MET A 82 -9.622 -6.600 -1.687 1.00 23.00 H new ATOM 0 HB3 MET A 82 -9.691 -8.253 -2.266 1.00 23.00 H new ATOM 0 HG2 MET A 82 -7.235 -7.905 -3.017 1.00 2.24 H new ATOM 0 HG3 MET A 82 -7.262 -6.462 -2.022 1.00 2.24 H new ATOM 0 HE1 MET A 82 -7.448 -10.836 -0.689 1.00 51.12 H new ATOM 0 HE2 MET A 82 -9.040 -10.120 -1.031 1.00 51.12 H new ATOM 0 HE3 MET A 82 -7.793 -10.162 -2.299 1.00 51.12 H new ATOM 1311 N GLN A 83 -11.506 -5.367 -4.109 1.00 11.31 N ATOM 1312 CA GLN A 83 -12.937 -5.046 -4.225 1.00 52.32 C ATOM 1313 C GLN A 83 -13.745 -5.610 -3.045 1.00 12.34 C ATOM 1314 O GLN A 83 -14.520 -6.554 -3.193 1.00 73.41 O ATOM 1315 CB GLN A 83 -13.506 -5.545 -5.565 1.00 33.45 C ATOM 1316 CG GLN A 83 -12.921 -4.832 -6.778 1.00 40.43 C ATOM 1317 CD GLN A 83 -13.473 -5.360 -8.092 1.00 74.11 C ATOM 1318 OE1 GLN A 83 -12.924 -6.284 -8.682 1.00 12.20 O ATOM 1319 NE2 GLN A 83 -14.566 -4.785 -8.556 1.00 71.41 N ATOM 0 H GLN A 83 -10.896 -4.550 -4.139 1.00 11.31 H new ATOM 0 HA GLN A 83 -13.029 -3.960 -4.196 1.00 52.32 H new ATOM 0 HB2 GLN A 83 -13.316 -6.614 -5.656 1.00 33.45 H new ATOM 0 HB3 GLN A 83 -14.588 -5.413 -5.563 1.00 33.45 H new ATOM 0 HG2 GLN A 83 -13.131 -3.765 -6.703 1.00 40.43 H new ATOM 0 HG3 GLN A 83 -11.837 -4.945 -6.773 1.00 40.43 H new ATOM 0 HE21 GLN A 83 -14.997 -4.018 -8.040 1.00 71.41 H new ATOM 0 HE22 GLN A 83 -14.980 -5.107 -9.431 1.00 71.41 H new