USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 706 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 83 ASN :FLIP amide:sc= -0.282 F(o=-2.5,f=-0.35) USER MOD Set 1.2: A 97 MET CE :methyl -151:sc= -0.0663 (180deg=-0.305) USER MOD Set 2.1: A 11 SER OG : rot 180:sc= 0.491 USER MOD Set 2.2: A 12 LYS NZ :NH3+ -112:sc= 0.401 (180deg=-0.237) USER MOD Set 3.1: A 9 THR OG1 : rot -112:sc= 0.468 USER MOD Set 3.2: A 53 THR OG1 : rot -70:sc= 0.978 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.259 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 171:sc= -0.241 (180deg=-0.477) USER MOD Single : A 27 LYS NZ :NH3+ 150:sc= -0.537 (180deg=-2.53!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.377 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.285 K(o=-0.28,f=-0.95) USER MOD Single : A 66 LYS NZ :NH3+ -165:sc= 0.894 (180deg=0.548) USER MOD Single : A 69 LYS NZ :NH3+ 165:sc= -0.0479 (180deg=-0.304) USER MOD Single : A 70 LYS NZ :NH3+ -168:sc= 1.29 (180deg=1.17) USER MOD Single : A 80 LYS NZ :NH3+ 172:sc= -0.0163 (180deg=-0.112) USER MOD Single : A 92 LYS NZ :NH3+ -145:sc= -0.0236 (180deg=-0.227) USER MOD Single : A 95 HIS : no HD1:sc= -0.204 K(o=-0.2,f=-9!) USER MOD Single : A 100 SER OG : rot -78:sc= 2.23 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N THR A 9 4.886 3.120 13.265 1.00 45.33 N ATOM 143 CA THR A 9 4.501 3.773 12.010 1.00 65.33 C ATOM 144 C THR A 9 5.694 3.817 11.033 1.00 24.00 C ATOM 145 O THR A 9 6.728 3.197 11.285 1.00 53.40 O ATOM 146 CB THR A 9 3.975 5.207 12.276 1.00 3.23 C ATOM 147 OG1 THR A 9 3.591 5.848 11.048 1.00 23.21 O ATOM 148 CG2 THR A 9 5.026 6.051 12.993 1.00 72.05 C ATOM 0 HA THR A 9 3.700 3.189 11.557 1.00 65.33 H new ATOM 0 HB THR A 9 3.098 5.122 12.918 1.00 3.23 H new ATOM 0 HG1 THR A 9 4.203 6.590 10.861 1.00 23.21 H new ATOM 0 HG21 THR A 9 4.632 7.052 13.167 1.00 72.05 H new ATOM 0 HG22 THR A 9 5.275 5.588 13.948 1.00 72.05 H new ATOM 0 HG23 THR A 9 5.922 6.117 12.376 1.00 72.05 H new ATOM 156 N ILE A 10 5.564 4.565 9.935 1.00 14.54 N ATOM 157 CA ILE A 10 6.598 4.614 8.887 1.00 12.21 C ATOM 158 C ILE A 10 8.007 4.893 9.453 1.00 10.21 C ATOM 159 O ILE A 10 9.014 4.447 8.895 1.00 61.03 O ATOM 160 CB ILE A 10 6.239 5.669 7.808 1.00 13.33 C ATOM 161 CG1 ILE A 10 4.842 5.368 7.230 1.00 1.10 C ATOM 162 CG2 ILE A 10 7.291 5.687 6.696 1.00 5.14 C ATOM 163 CD1 ILE A 10 4.376 6.357 6.183 1.00 55.30 C ATOM 0 H ILE A 10 4.750 5.149 9.744 1.00 14.54 H new ATOM 0 HA ILE A 10 6.623 3.625 8.430 1.00 12.21 H new ATOM 0 HB ILE A 10 6.225 6.655 8.271 1.00 13.33 H new ATOM 0 HG12 ILE A 10 4.850 4.370 6.792 1.00 1.10 H new ATOM 0 HG13 ILE A 10 4.119 5.353 8.046 1.00 1.10 H new ATOM 0 HG21 ILE A 10 7.019 6.434 5.950 1.00 5.14 H new ATOM 0 HG22 ILE A 10 8.264 5.935 7.120 1.00 5.14 H new ATOM 0 HG23 ILE A 10 7.340 4.705 6.225 1.00 5.14 H new ATOM 0 HD11 ILE A 10 3.385 6.072 5.829 1.00 55.30 H new ATOM 0 HD12 ILE A 10 4.333 7.355 6.619 1.00 55.30 H new ATOM 0 HD13 ILE A 10 5.074 6.357 5.346 1.00 55.30 H new ATOM 175 N SER A 11 8.067 5.610 10.574 1.00 45.24 N ATOM 176 CA SER A 11 9.339 5.903 11.260 1.00 14.42 C ATOM 177 C SER A 11 10.154 4.636 11.591 1.00 51.04 C ATOM 178 O SER A 11 11.381 4.644 11.506 1.00 41.50 O ATOM 179 CB SER A 11 9.077 6.674 12.564 1.00 13.11 C ATOM 180 OG SER A 11 10.256 6.789 13.350 1.00 71.11 O ATOM 0 H SER A 11 7.247 6.004 11.035 1.00 45.24 H new ATOM 0 HA SER A 11 9.925 6.505 10.566 1.00 14.42 H new ATOM 0 HB2 SER A 11 8.697 7.668 12.329 1.00 13.11 H new ATOM 0 HB3 SER A 11 8.304 6.165 13.139 1.00 13.11 H new ATOM 0 HG SER A 11 10.055 7.285 14.171 1.00 71.11 H new ATOM 186 N LYS A 12 9.474 3.551 11.969 1.00 62.32 N ATOM 187 CA LYS A 12 10.161 2.341 12.457 1.00 22.22 C ATOM 188 C LYS A 12 9.757 1.069 11.694 1.00 10.53 C ATOM 189 O LYS A 12 9.732 -0.024 12.263 1.00 60.00 O ATOM 190 CB LYS A 12 9.888 2.163 13.958 1.00 54.20 C ATOM 191 CG LYS A 12 10.480 3.273 14.825 1.00 14.54 C ATOM 192 CD LYS A 12 12.005 3.312 14.737 1.00 43.45 C ATOM 193 CE LYS A 12 12.592 4.493 15.505 1.00 13.34 C ATOM 194 NZ LYS A 12 12.152 5.800 14.940 1.00 25.35 N ATOM 0 H LYS A 12 8.457 3.480 11.949 1.00 62.32 H new ATOM 0 HA LYS A 12 11.227 2.485 12.281 1.00 22.22 H new ATOM 0 HB2 LYS A 12 8.811 2.123 14.120 1.00 54.20 H new ATOM 0 HB3 LYS A 12 10.295 1.205 14.281 1.00 54.20 H new ATOM 0 HG2 LYS A 12 10.073 4.235 14.511 1.00 14.54 H new ATOM 0 HG3 LYS A 12 10.180 3.123 15.862 1.00 14.54 H new ATOM 0 HD2 LYS A 12 12.415 2.383 15.133 1.00 43.45 H new ATOM 0 HD3 LYS A 12 12.306 3.374 13.691 1.00 43.45 H new ATOM 0 HE2 LYS A 12 12.292 4.431 16.551 1.00 13.34 H new ATOM 0 HE3 LYS A 12 13.680 4.436 15.482 1.00 13.34 H new ATOM 0 HZ1 LYS A 12 12.966 6.284 14.509 1.00 25.35 H new ATOM 0 HZ2 LYS A 12 11.423 5.638 14.216 1.00 25.35 H new ATOM 0 HZ3 LYS A 12 11.760 6.392 15.700 1.00 25.35 H new ATOM 208 N LEU A 13 9.466 1.206 10.406 1.00 20.15 N ATOM 209 CA LEU A 13 9.167 0.044 9.558 1.00 31.13 C ATOM 210 C LEU A 13 10.457 -0.689 9.150 1.00 74.51 C ATOM 211 O LEU A 13 11.224 -0.205 8.319 1.00 40.40 O ATOM 212 CB LEU A 13 8.394 0.477 8.304 1.00 35.21 C ATOM 213 CG LEU A 13 7.023 1.118 8.565 1.00 25.15 C ATOM 214 CD1 LEU A 13 6.336 1.479 7.251 1.00 64.13 C ATOM 215 CD2 LEU A 13 6.141 0.196 9.405 1.00 63.30 C ATOM 0 H LEU A 13 9.429 2.103 9.922 1.00 20.15 H new ATOM 0 HA LEU A 13 8.549 -0.641 10.138 1.00 31.13 H new ATOM 0 HB2 LEU A 13 9.007 1.185 7.746 1.00 35.21 H new ATOM 0 HB3 LEU A 13 8.253 -0.395 7.665 1.00 35.21 H new ATOM 0 HG LEU A 13 7.181 2.037 9.129 1.00 25.15 H new ATOM 0 HD11 LEU A 13 5.367 1.932 7.460 1.00 64.13 H new ATOM 0 HD12 LEU A 13 6.955 2.186 6.699 1.00 64.13 H new ATOM 0 HD13 LEU A 13 6.195 0.578 6.655 1.00 64.13 H new ATOM 0 HD21 LEU A 13 5.176 0.672 9.576 1.00 63.30 H new ATOM 0 HD22 LEU A 13 5.992 -0.746 8.877 1.00 63.30 H new ATOM 0 HD23 LEU A 13 6.625 0.003 10.362 1.00 63.30 H new ATOM 227 N GLU A 14 10.698 -1.855 9.744 1.00 12.24 N ATOM 228 CA GLU A 14 11.902 -2.633 9.445 1.00 52.54 C ATOM 229 C GLU A 14 11.644 -3.673 8.342 1.00 44.41 C ATOM 230 O GLU A 14 10.595 -4.317 8.310 1.00 3.44 O ATOM 231 CB GLU A 14 12.418 -3.325 10.716 1.00 32.55 C ATOM 232 CG GLU A 14 13.647 -4.199 10.481 1.00 22.54 C ATOM 233 CD GLU A 14 14.221 -4.768 11.768 1.00 20.33 C ATOM 234 OE1 GLU A 14 13.763 -5.846 12.209 1.00 61.10 O ATOM 235 OE2 GLU A 14 15.133 -4.142 12.344 1.00 14.22 O ATOM 0 H GLU A 14 10.079 -2.283 10.433 1.00 12.24 H new ATOM 0 HA GLU A 14 12.662 -1.942 9.080 1.00 52.54 H new ATOM 0 HB2 GLU A 14 12.659 -2.566 11.460 1.00 32.55 H new ATOM 0 HB3 GLU A 14 11.621 -3.939 11.134 1.00 32.55 H new ATOM 0 HG2 GLU A 14 13.382 -5.019 9.813 1.00 22.54 H new ATOM 0 HG3 GLU A 14 14.413 -3.612 9.975 1.00 22.54 H new ATOM 242 N GLU A 15 12.612 -3.829 7.439 1.00 1.02 N ATOM 243 CA GLU A 15 12.509 -4.812 6.355 1.00 14.13 C ATOM 244 C GLU A 15 12.359 -6.245 6.904 1.00 25.44 C ATOM 245 O GLU A 15 13.142 -6.691 7.746 1.00 21.54 O ATOM 246 CB GLU A 15 13.734 -4.708 5.430 1.00 74.11 C ATOM 247 CG GLU A 15 15.073 -4.791 6.158 1.00 63.44 C ATOM 248 CD GLU A 15 16.260 -4.659 5.216 1.00 41.31 C ATOM 249 OE1 GLU A 15 16.689 -3.517 4.945 1.00 62.23 O ATOM 250 OE2 GLU A 15 16.775 -5.698 4.745 1.00 72.54 O ATOM 0 H GLU A 15 13.477 -3.289 7.435 1.00 1.02 H new ATOM 0 HA GLU A 15 11.611 -4.588 5.779 1.00 14.13 H new ATOM 0 HB2 GLU A 15 13.685 -5.506 4.689 1.00 74.11 H new ATOM 0 HB3 GLU A 15 13.686 -3.765 4.886 1.00 74.11 H new ATOM 0 HG2 GLU A 15 15.122 -4.005 6.911 1.00 63.44 H new ATOM 0 HG3 GLU A 15 15.137 -5.742 6.686 1.00 63.44 H new ATOM 257 N GLY A 16 11.340 -6.957 6.427 1.00 52.21 N ATOM 258 CA GLY A 16 11.064 -8.311 6.903 1.00 24.12 C ATOM 259 C GLY A 16 10.009 -8.360 8.011 1.00 74.14 C ATOM 260 O GLY A 16 9.600 -9.442 8.441 1.00 2.23 O ATOM 0 H GLY A 16 10.694 -6.620 5.713 1.00 52.21 H new ATOM 0 HA2 GLY A 16 10.729 -8.922 6.065 1.00 24.12 H new ATOM 0 HA3 GLY A 16 11.989 -8.755 7.272 1.00 24.12 H new ATOM 264 N ALA A 17 9.570 -7.190 8.475 1.00 21.24 N ATOM 265 CA ALA A 17 8.567 -7.100 9.546 1.00 62.24 C ATOM 266 C ALA A 17 7.128 -7.112 8.999 1.00 71.41 C ATOM 267 O ALA A 17 6.866 -6.627 7.895 1.00 72.21 O ATOM 268 CB ALA A 17 8.803 -5.833 10.364 1.00 13.13 C ATOM 0 H ALA A 17 9.892 -6.287 8.127 1.00 21.24 H new ATOM 0 HA ALA A 17 8.680 -7.980 10.179 1.00 62.24 H new ATOM 0 HB1 ALA A 17 8.058 -5.768 11.157 1.00 13.13 H new ATOM 0 HB2 ALA A 17 9.800 -5.864 10.804 1.00 13.13 H new ATOM 0 HB3 ALA A 17 8.719 -4.961 9.716 1.00 13.13 H new ATOM 274 N GLU A 18 6.197 -7.677 9.776 1.00 61.22 N ATOM 275 CA GLU A 18 4.771 -7.639 9.424 1.00 20.23 C ATOM 276 C GLU A 18 4.000 -6.739 10.399 1.00 54.31 C ATOM 277 O GLU A 18 3.799 -7.087 11.565 1.00 21.15 O ATOM 278 CB GLU A 18 4.183 -9.059 9.441 1.00 23.10 C ATOM 279 CG GLU A 18 2.751 -9.143 8.915 1.00 73.33 C ATOM 280 CD GLU A 18 2.218 -10.568 8.893 1.00 33.33 C ATOM 281 OE1 GLU A 18 2.649 -11.357 8.026 1.00 1.12 O ATOM 282 OE2 GLU A 18 1.380 -10.912 9.751 1.00 72.41 O ATOM 0 H GLU A 18 6.403 -8.164 10.648 1.00 61.22 H new ATOM 0 HA GLU A 18 4.674 -7.227 8.419 1.00 20.23 H new ATOM 0 HB2 GLU A 18 4.818 -9.712 8.842 1.00 23.10 H new ATOM 0 HB3 GLU A 18 4.207 -9.439 10.462 1.00 23.10 H new ATOM 0 HG2 GLU A 18 2.103 -8.526 9.537 1.00 73.33 H new ATOM 0 HG3 GLU A 18 2.713 -8.729 7.907 1.00 73.33 H new ATOM 289 N THR A 19 3.571 -5.576 9.917 1.00 51.42 N ATOM 290 CA THR A 19 2.860 -4.601 10.757 1.00 51.41 C ATOM 291 C THR A 19 1.908 -3.731 9.917 1.00 62.15 C ATOM 292 O THR A 19 2.147 -3.523 8.726 1.00 11.20 O ATOM 293 CB THR A 19 3.863 -3.693 11.518 1.00 4.31 C ATOM 294 OG1 THR A 19 3.171 -2.838 12.438 1.00 54.31 O ATOM 295 CG2 THR A 19 4.694 -2.848 10.554 1.00 62.25 C ATOM 0 H THR A 19 3.701 -5.280 8.949 1.00 51.42 H new ATOM 0 HA THR A 19 2.270 -5.163 11.481 1.00 51.41 H new ATOM 0 HB THR A 19 4.538 -4.345 12.072 1.00 4.31 H new ATOM 0 HG1 THR A 19 3.818 -2.274 12.910 1.00 54.31 H new ATOM 0 HG21 THR A 19 5.386 -2.224 11.120 1.00 62.25 H new ATOM 0 HG22 THR A 19 5.257 -3.503 9.889 1.00 62.25 H new ATOM 0 HG23 THR A 19 4.033 -2.213 9.964 1.00 62.25 H new ATOM 303 N PRO A 20 0.796 -3.240 10.505 1.00 53.20 N ATOM 304 CA PRO A 20 -0.084 -2.260 9.840 1.00 64.11 C ATOM 305 C PRO A 20 0.612 -0.897 9.651 1.00 32.30 C ATOM 306 O PRO A 20 1.332 -0.431 10.534 1.00 4.23 O ATOM 307 CB PRO A 20 -1.288 -2.136 10.799 1.00 22.52 C ATOM 308 CG PRO A 20 -1.175 -3.301 11.731 1.00 32.43 C ATOM 309 CD PRO A 20 0.294 -3.600 11.842 1.00 4.12 C ATOM 0 HA PRO A 20 -0.367 -2.577 8.836 1.00 64.11 H new ATOM 0 HB2 PRO A 20 -1.260 -1.193 11.344 1.00 22.52 H new ATOM 0 HB3 PRO A 20 -2.230 -2.161 10.252 1.00 22.52 H new ATOM 0 HG2 PRO A 20 -1.600 -3.063 12.706 1.00 32.43 H new ATOM 0 HG3 PRO A 20 -1.721 -4.163 11.347 1.00 32.43 H new ATOM 0 HD2 PRO A 20 0.770 -3.011 12.626 1.00 4.12 H new ATOM 0 HD3 PRO A 20 0.478 -4.649 12.075 1.00 4.12 H new ATOM 317 N VAL A 21 0.387 -0.251 8.508 1.00 54.05 N ATOM 318 CA VAL A 21 1.059 1.020 8.190 1.00 1.13 C ATOM 319 C VAL A 21 0.045 2.137 7.894 1.00 53.14 C ATOM 320 O VAL A 21 -1.036 1.884 7.367 1.00 32.31 O ATOM 321 CB VAL A 21 2.014 0.862 6.977 1.00 64.10 C ATOM 322 CG1 VAL A 21 3.082 -0.192 7.260 1.00 32.31 C ATOM 323 CG2 VAL A 21 1.236 0.517 5.708 1.00 24.05 C ATOM 0 H VAL A 21 -0.252 -0.581 7.785 1.00 54.05 H new ATOM 0 HA VAL A 21 1.640 1.297 9.070 1.00 1.13 H new ATOM 0 HB VAL A 21 2.513 1.818 6.817 1.00 64.10 H new ATOM 0 HG11 VAL A 21 3.739 -0.285 6.396 1.00 32.31 H new ATOM 0 HG12 VAL A 21 3.667 0.107 8.130 1.00 32.31 H new ATOM 0 HG13 VAL A 21 2.603 -1.151 7.457 1.00 32.31 H new ATOM 0 HG21 VAL A 21 1.929 0.412 4.873 1.00 24.05 H new ATOM 0 HG22 VAL A 21 0.699 -0.420 5.854 1.00 24.05 H new ATOM 0 HG23 VAL A 21 0.524 1.313 5.490 1.00 24.05 H new ATOM 333 N THR A 22 0.404 3.375 8.233 1.00 33.23 N ATOM 334 CA THR A 22 -0.494 4.528 8.047 1.00 14.41 C ATOM 335 C THR A 22 0.178 5.641 7.232 1.00 11.41 C ATOM 336 O THR A 22 1.384 5.851 7.335 1.00 3.53 O ATOM 337 CB THR A 22 -0.943 5.121 9.407 1.00 74.45 C ATOM 338 OG1 THR A 22 -1.481 4.091 10.254 1.00 71.51 O ATOM 339 CG2 THR A 22 -1.996 6.206 9.209 1.00 54.03 C ATOM 0 H THR A 22 1.310 3.611 8.639 1.00 33.23 H new ATOM 0 HA THR A 22 -1.363 4.155 7.505 1.00 14.41 H new ATOM 0 HB THR A 22 -0.065 5.560 9.881 1.00 74.45 H new ATOM 0 HG1 THR A 22 -1.758 4.482 11.109 1.00 71.51 H new ATOM 0 HG21 THR A 22 -2.294 6.605 10.179 1.00 54.03 H new ATOM 0 HG22 THR A 22 -1.582 7.008 8.598 1.00 54.03 H new ATOM 0 HG23 THR A 22 -2.866 5.781 8.709 1.00 54.03 H new ATOM 347 N GLY A 23 -0.608 6.350 6.421 1.00 74.42 N ATOM 348 CA GLY A 23 -0.078 7.479 5.661 1.00 11.44 C ATOM 349 C GLY A 23 -1.155 8.252 4.902 1.00 33.32 C ATOM 350 O GLY A 23 -2.196 7.696 4.545 1.00 42.32 O ATOM 0 H GLY A 23 -1.600 6.165 6.275 1.00 74.42 H new ATOM 0 HA2 GLY A 23 0.436 8.158 6.342 1.00 11.44 H new ATOM 0 HA3 GLY A 23 0.666 7.115 4.953 1.00 11.44 H new ATOM 354 N ARG A 24 -0.908 9.538 4.659 1.00 51.11 N ATOM 355 CA ARG A 24 -1.839 10.380 3.897 1.00 70.33 C ATOM 356 C ARG A 24 -1.555 10.255 2.389 1.00 13.40 C ATOM 357 O ARG A 24 -0.463 10.590 1.925 1.00 41.14 O ATOM 358 CB ARG A 24 -1.723 11.849 4.346 1.00 62.14 C ATOM 359 CG ARG A 24 -1.783 12.036 5.864 1.00 1.03 C ATOM 360 CD ARG A 24 -1.902 13.506 6.271 1.00 62.14 C ATOM 361 NE ARG A 24 -3.214 14.068 5.933 1.00 20.11 N ATOM 362 CZ ARG A 24 -4.172 14.274 6.802 1.00 13.32 C ATOM 363 NH1 ARG A 24 -3.990 14.013 8.055 1.00 44.44 N ATOM 364 NH2 ARG A 24 -5.314 14.739 6.413 1.00 0.35 N ATOM 0 H ARG A 24 -0.070 10.024 4.978 1.00 51.11 H new ATOM 0 HA ARG A 24 -2.856 10.040 4.089 1.00 70.33 H new ATOM 0 HB2 ARG A 24 -0.784 12.260 3.975 1.00 62.14 H new ATOM 0 HB3 ARG A 24 -2.526 12.425 3.886 1.00 62.14 H new ATOM 0 HG2 ARG A 24 -2.634 11.483 6.261 1.00 1.03 H new ATOM 0 HG3 ARG A 24 -0.887 11.609 6.315 1.00 1.03 H new ATOM 0 HD2 ARG A 24 -1.734 13.599 7.344 1.00 62.14 H new ATOM 0 HD3 ARG A 24 -1.122 14.083 5.775 1.00 62.14 H new ATOM 0 HE ARG A 24 -3.392 14.314 4.959 1.00 20.11 H new ATOM 0 HH11 ARG A 24 -3.094 13.643 8.374 1.00 44.44 H new ATOM 0 HH12 ARG A 24 -4.742 14.177 8.724 1.00 44.44 H new ATOM 0 HH21 ARG A 24 -5.471 14.947 5.427 1.00 0.35 H new ATOM 0 HH22 ARG A 24 -6.058 14.898 7.092 1.00 0.35 H new ATOM 378 N VAL A 25 -2.541 9.783 1.629 1.00 2.10 N ATOM 379 CA VAL A 25 -2.357 9.480 0.202 1.00 54.35 C ATOM 380 C VAL A 25 -1.978 10.728 -0.619 1.00 34.10 C ATOM 381 O VAL A 25 -2.778 11.650 -0.787 1.00 52.14 O ATOM 382 CB VAL A 25 -3.634 8.844 -0.409 1.00 53.51 C ATOM 383 CG1 VAL A 25 -3.414 8.479 -1.876 1.00 70.25 C ATOM 384 CG2 VAL A 25 -4.069 7.621 0.401 1.00 20.34 C ATOM 0 H VAL A 25 -3.483 9.600 1.976 1.00 2.10 H new ATOM 0 HA VAL A 25 -1.533 8.769 0.150 1.00 54.35 H new ATOM 0 HB VAL A 25 -4.435 9.582 -0.365 1.00 53.51 H new ATOM 0 HG11 VAL A 25 -4.324 8.035 -2.281 1.00 70.25 H new ATOM 0 HG12 VAL A 25 -3.166 9.377 -2.441 1.00 70.25 H new ATOM 0 HG13 VAL A 25 -2.595 7.764 -1.954 1.00 70.25 H new ATOM 0 HG21 VAL A 25 -4.966 7.190 -0.044 1.00 20.34 H new ATOM 0 HG22 VAL A 25 -3.270 6.879 0.398 1.00 20.34 H new ATOM 0 HG23 VAL A 25 -4.281 7.921 1.427 1.00 20.34 H new ATOM 394 N MET A 26 -0.746 10.746 -1.123 1.00 23.03 N ATOM 395 CA MET A 26 -0.276 11.842 -1.973 1.00 4.54 C ATOM 396 C MET A 26 -0.465 11.505 -3.459 1.00 33.42 C ATOM 397 O MET A 26 -1.048 12.283 -4.211 1.00 34.42 O ATOM 398 CB MET A 26 1.201 12.145 -1.683 1.00 14.24 C ATOM 399 CG MET A 26 1.769 13.292 -2.511 1.00 11.13 C ATOM 400 SD MET A 26 3.469 13.705 -2.062 1.00 15.32 S ATOM 401 CE MET A 26 4.316 12.170 -2.438 1.00 32.22 C ATOM 0 H MET A 26 -0.054 10.015 -0.959 1.00 23.03 H new ATOM 0 HA MET A 26 -0.871 12.727 -1.745 1.00 4.54 H new ATOM 0 HB2 MET A 26 1.312 12.383 -0.625 1.00 14.24 H new ATOM 0 HB3 MET A 26 1.790 11.247 -1.871 1.00 14.24 H new ATOM 0 HG2 MET A 26 1.732 13.025 -3.567 1.00 11.13 H new ATOM 0 HG3 MET A 26 1.140 14.173 -2.383 1.00 11.13 H new ATOM 0 HE1 MET A 26 5.393 12.321 -2.364 1.00 32.22 H new ATOM 0 HE2 MET A 26 4.008 11.401 -1.729 1.00 32.22 H new ATOM 0 HE3 MET A 26 4.063 11.853 -3.450 1.00 32.22 H new ATOM 411 N LYS A 27 0.033 10.339 -3.877 1.00 23.31 N ATOM 412 CA LYS A 27 -0.036 9.928 -5.288 1.00 73.43 C ATOM 413 C LYS A 27 -0.603 8.509 -5.449 1.00 65.54 C ATOM 414 O LYS A 27 -0.339 7.628 -4.633 1.00 21.52 O ATOM 415 CB LYS A 27 1.359 9.987 -5.934 1.00 51.42 C ATOM 416 CG LYS A 27 2.065 11.332 -5.787 1.00 34.24 C ATOM 417 CD LYS A 27 1.254 12.494 -6.366 1.00 64.01 C ATOM 418 CE LYS A 27 1.202 12.487 -7.897 1.00 0.25 C ATOM 419 NZ LYS A 27 0.325 11.411 -8.443 1.00 34.04 N ATOM 0 H LYS A 27 0.488 9.662 -3.264 1.00 23.31 H new ATOM 0 HA LYS A 27 -0.709 10.625 -5.788 1.00 73.43 H new ATOM 0 HB2 LYS A 27 1.984 9.212 -5.491 1.00 51.42 H new ATOM 0 HB3 LYS A 27 1.265 9.754 -6.995 1.00 51.42 H new ATOM 0 HG2 LYS A 27 2.260 11.521 -4.731 1.00 34.24 H new ATOM 0 HG3 LYS A 27 3.033 11.286 -6.287 1.00 34.24 H new ATOM 0 HD2 LYS A 27 0.238 12.451 -5.974 1.00 64.01 H new ATOM 0 HD3 LYS A 27 1.687 13.435 -6.027 1.00 64.01 H new ATOM 0 HE2 LYS A 27 0.843 13.454 -8.248 1.00 0.25 H new ATOM 0 HE3 LYS A 27 2.211 12.360 -8.289 1.00 0.25 H new ATOM 0 HZ1 LYS A 27 -0.082 11.721 -9.348 1.00 34.04 H new ATOM 0 HZ2 LYS A 27 0.886 10.548 -8.593 1.00 34.04 H new ATOM 0 HZ3 LYS A 27 -0.441 11.212 -7.769 1.00 34.04 H new ATOM 433 N ILE A 28 -1.380 8.301 -6.511 1.00 1.42 N ATOM 434 CA ILE A 28 -1.878 6.970 -6.876 1.00 11.02 C ATOM 435 C ILE A 28 -1.515 6.638 -8.333 1.00 2.12 C ATOM 436 O ILE A 28 -1.958 7.313 -9.268 1.00 50.21 O ATOM 437 CB ILE A 28 -3.416 6.859 -6.693 1.00 73.55 C ATOM 438 CG1 ILE A 28 -3.800 7.078 -5.218 1.00 43.15 C ATOM 439 CG2 ILE A 28 -3.927 5.503 -7.186 1.00 15.35 C ATOM 440 CD1 ILE A 28 -5.291 7.015 -4.952 1.00 73.22 C ATOM 0 H ILE A 28 -1.682 9.044 -7.141 1.00 1.42 H new ATOM 0 HA ILE A 28 -1.400 6.255 -6.206 1.00 11.02 H new ATOM 0 HB ILE A 28 -3.888 7.637 -7.293 1.00 73.55 H new ATOM 0 HG12 ILE A 28 -3.301 6.325 -4.608 1.00 43.15 H new ATOM 0 HG13 ILE A 28 -3.425 8.049 -4.896 1.00 43.15 H new ATOM 0 HG21 ILE A 28 -5.007 5.449 -7.048 1.00 15.35 H new ATOM 0 HG22 ILE A 28 -3.691 5.388 -8.244 1.00 15.35 H new ATOM 0 HG23 ILE A 28 -3.448 4.705 -6.618 1.00 15.35 H new ATOM 0 HD11 ILE A 28 -5.479 7.179 -3.891 1.00 73.22 H new ATOM 0 HD12 ILE A 28 -5.797 7.786 -5.533 1.00 73.22 H new ATOM 0 HD13 ILE A 28 -5.671 6.035 -5.240 1.00 73.22 H new ATOM 452 N SER A 29 -0.699 5.606 -8.520 1.00 1.41 N ATOM 453 CA SER A 29 -0.269 5.192 -9.861 1.00 40.11 C ATOM 454 C SER A 29 -1.027 3.944 -10.339 1.00 20.35 C ATOM 455 O SER A 29 -1.257 3.006 -9.571 1.00 10.31 O ATOM 456 CB SER A 29 1.246 4.943 -9.879 1.00 71.44 C ATOM 457 OG SER A 29 1.959 6.134 -9.563 1.00 11.23 O ATOM 0 H SER A 29 -0.319 5.038 -7.763 1.00 1.41 H new ATOM 0 HA SER A 29 -0.503 6.002 -10.552 1.00 40.11 H new ATOM 0 HB2 SER A 29 1.499 4.162 -9.162 1.00 71.44 H new ATOM 0 HB3 SER A 29 1.548 4.583 -10.863 1.00 71.44 H new ATOM 0 HG SER A 29 2.922 5.953 -9.578 1.00 11.23 H new ATOM 463 N SER A 30 -1.406 3.947 -11.618 1.00 24.25 N ATOM 464 CA SER A 30 -2.235 2.880 -12.209 1.00 50.04 C ATOM 465 C SER A 30 -1.641 1.474 -12.025 1.00 41.32 C ATOM 466 O SER A 30 -0.420 1.294 -12.002 1.00 75.43 O ATOM 467 CB SER A 30 -2.439 3.140 -13.709 1.00 51.51 C ATOM 468 OG SER A 30 -1.197 3.221 -14.393 1.00 22.02 O ATOM 0 H SER A 30 -1.151 4.683 -12.276 1.00 24.25 H new ATOM 0 HA SER A 30 -3.186 2.905 -11.677 1.00 50.04 H new ATOM 0 HB2 SER A 30 -3.042 2.341 -14.140 1.00 51.51 H new ATOM 0 HB3 SER A 30 -2.994 4.068 -13.847 1.00 51.51 H new ATOM 0 HG SER A 30 -1.358 3.385 -15.346 1.00 22.02 H new ATOM 474 N PRO A 31 -2.514 0.452 -11.907 1.00 20.11 N ATOM 475 CA PRO A 31 -2.091 -0.959 -11.817 1.00 72.42 C ATOM 476 C PRO A 31 -1.387 -1.458 -13.096 1.00 53.22 C ATOM 477 O PRO A 31 -1.969 -1.466 -14.182 1.00 41.41 O ATOM 478 CB PRO A 31 -3.416 -1.711 -11.595 1.00 13.24 C ATOM 479 CG PRO A 31 -4.458 -0.801 -12.151 1.00 15.13 C ATOM 480 CD PRO A 31 -3.984 0.587 -11.838 1.00 72.15 C ATOM 0 HA PRO A 31 -1.358 -1.112 -11.025 1.00 72.42 H new ATOM 0 HB2 PRO A 31 -3.416 -2.674 -12.106 1.00 13.24 H new ATOM 0 HB3 PRO A 31 -3.587 -1.911 -10.537 1.00 13.24 H new ATOM 0 HG2 PRO A 31 -4.572 -0.944 -13.226 1.00 15.13 H new ATOM 0 HG3 PRO A 31 -5.431 -0.995 -11.699 1.00 15.13 H new ATOM 0 HD2 PRO A 31 -4.358 1.315 -12.558 1.00 72.15 H new ATOM 0 HD3 PRO A 31 -4.315 0.915 -10.853 1.00 72.15 H new ATOM 488 N ARG A 32 -0.134 -1.873 -12.954 1.00 21.33 N ATOM 489 CA ARG A 32 0.678 -2.347 -14.080 1.00 11.32 C ATOM 490 C ARG A 32 0.601 -3.883 -14.215 1.00 23.50 C ATOM 491 O ARG A 32 0.883 -4.615 -13.266 1.00 61.35 O ATOM 492 CB ARG A 32 2.129 -1.886 -13.870 1.00 24.42 C ATOM 493 CG ARG A 32 3.078 -2.195 -15.025 1.00 75.22 C ATOM 494 CD ARG A 32 4.428 -1.510 -14.819 1.00 40.35 C ATOM 495 NE ARG A 32 5.354 -1.722 -15.933 1.00 74.15 N ATOM 496 CZ ARG A 32 6.334 -0.909 -16.230 1.00 14.14 C ATOM 497 NH1 ARG A 32 6.460 0.222 -15.613 1.00 23.33 N ATOM 498 NH2 ARG A 32 7.162 -1.208 -17.176 1.00 73.32 N ATOM 0 H ARG A 32 0.352 -1.892 -12.058 1.00 21.33 H new ATOM 0 HA ARG A 32 0.291 -1.925 -15.007 1.00 11.32 H new ATOM 0 HB2 ARG A 32 2.131 -0.810 -13.696 1.00 24.42 H new ATOM 0 HB3 ARG A 32 2.516 -2.356 -12.966 1.00 24.42 H new ATOM 0 HG2 ARG A 32 3.221 -3.273 -15.105 1.00 75.22 H new ATOM 0 HG3 ARG A 32 2.636 -1.861 -15.964 1.00 75.22 H new ATOM 0 HD2 ARG A 32 4.269 -0.440 -14.685 1.00 40.35 H new ATOM 0 HD3 ARG A 32 4.882 -1.883 -13.901 1.00 40.35 H new ATOM 0 HE ARG A 32 5.227 -2.553 -16.511 1.00 74.15 H new ATOM 0 HH11 ARG A 32 5.792 0.485 -14.889 1.00 23.33 H new ATOM 0 HH12 ARG A 32 7.228 0.850 -15.851 1.00 23.33 H new ATOM 0 HH21 ARG A 32 7.052 -2.080 -17.693 1.00 73.32 H new ATOM 0 HH22 ARG A 32 7.926 -0.572 -17.405 1.00 73.32 H new ATOM 512 N THR A 33 0.212 -4.353 -15.400 1.00 1.32 N ATOM 513 CA THR A 33 0.016 -5.792 -15.659 1.00 52.21 C ATOM 514 C THR A 33 1.343 -6.497 -15.998 1.00 51.33 C ATOM 515 O THR A 33 2.253 -5.890 -16.564 1.00 14.54 O ATOM 516 CB THR A 33 -0.980 -6.012 -16.829 1.00 30.44 C ATOM 517 OG1 THR A 33 -2.141 -5.176 -16.658 1.00 51.43 O ATOM 518 CG2 THR A 33 -1.422 -7.470 -16.918 1.00 13.12 C ATOM 0 H THR A 33 0.023 -3.758 -16.206 1.00 1.32 H new ATOM 0 HA THR A 33 -0.389 -6.223 -14.743 1.00 52.21 H new ATOM 0 HB THR A 33 -0.465 -5.747 -17.753 1.00 30.44 H new ATOM 0 HG1 THR A 33 -2.762 -5.322 -17.402 1.00 51.43 H new ATOM 0 HG21 THR A 33 -2.119 -7.589 -17.748 1.00 13.12 H new ATOM 0 HG22 THR A 33 -0.551 -8.105 -17.082 1.00 13.12 H new ATOM 0 HG23 THR A 33 -1.912 -7.759 -15.988 1.00 13.12 H new ATOM 526 N PHE A 34 1.446 -7.781 -15.650 1.00 3.10 N ATOM 527 CA PHE A 34 2.650 -8.583 -15.931 1.00 14.05 C ATOM 528 C PHE A 34 2.302 -10.073 -16.101 1.00 72.21 C ATOM 529 O PHE A 34 1.196 -10.502 -15.786 1.00 20.13 O ATOM 530 CB PHE A 34 3.690 -8.412 -14.808 1.00 4.24 C ATOM 531 CG PHE A 34 3.202 -8.833 -13.440 1.00 50.24 C ATOM 532 CD1 PHE A 34 3.259 -10.163 -13.040 1.00 25.21 C ATOM 533 CD2 PHE A 34 2.690 -7.897 -12.553 1.00 14.30 C ATOM 534 CE1 PHE A 34 2.817 -10.547 -11.788 1.00 34.23 C ATOM 535 CE2 PHE A 34 2.248 -8.277 -11.301 1.00 73.04 C ATOM 536 CZ PHE A 34 2.312 -9.602 -10.918 1.00 1.33 C ATOM 0 H PHE A 34 0.708 -8.295 -15.170 1.00 3.10 H new ATOM 0 HA PHE A 34 3.075 -8.221 -16.867 1.00 14.05 H new ATOM 0 HB2 PHE A 34 4.578 -8.993 -15.059 1.00 4.24 H new ATOM 0 HB3 PHE A 34 3.994 -7.366 -14.767 1.00 4.24 H new ATOM 0 HD1 PHE A 34 3.654 -10.906 -13.717 1.00 25.21 H new ATOM 0 HD2 PHE A 34 2.636 -6.859 -12.845 1.00 14.30 H new ATOM 0 HE1 PHE A 34 2.867 -11.584 -11.491 1.00 34.23 H new ATOM 0 HE2 PHE A 34 1.852 -7.537 -10.621 1.00 73.04 H new ATOM 0 HZ PHE A 34 1.967 -9.899 -9.938 1.00 1.33 H new ATOM 666 N GLY A 42 -2.236 -11.083 -13.446 1.00 5.45 N ATOM 667 CA GLY A 42 -1.096 -10.578 -12.678 1.00 44.21 C ATOM 668 C GLY A 42 -0.902 -9.064 -12.783 1.00 53.01 C ATOM 669 O GLY A 42 -0.436 -8.559 -13.801 1.00 51.41 O ATOM 0 HA2 GLY A 42 -1.229 -10.846 -11.630 1.00 44.21 H new ATOM 0 HA3 GLY A 42 -0.189 -11.076 -13.022 1.00 44.21 H new ATOM 673 N LYS A 43 -1.247 -8.332 -11.724 1.00 23.41 N ATOM 674 CA LYS A 43 -1.112 -6.868 -11.725 1.00 60.03 C ATOM 675 C LYS A 43 -0.558 -6.346 -10.390 1.00 41.03 C ATOM 676 O LYS A 43 -0.698 -6.990 -9.347 1.00 2.52 O ATOM 677 CB LYS A 43 -2.466 -6.203 -12.016 1.00 32.51 C ATOM 678 CG LYS A 43 -3.133 -6.694 -13.298 1.00 72.22 C ATOM 679 CD LYS A 43 -4.388 -5.895 -13.636 1.00 74.13 C ATOM 680 CE LYS A 43 -4.064 -4.444 -13.975 1.00 35.34 C ATOM 681 NZ LYS A 43 -5.257 -3.716 -14.475 1.00 31.01 N ATOM 0 H LYS A 43 -1.620 -8.721 -10.858 1.00 23.41 H new ATOM 0 HA LYS A 43 -0.403 -6.610 -12.512 1.00 60.03 H new ATOM 0 HB2 LYS A 43 -3.137 -6.385 -11.176 1.00 32.51 H new ATOM 0 HB3 LYS A 43 -2.323 -5.124 -12.082 1.00 32.51 H new ATOM 0 HG2 LYS A 43 -2.425 -6.623 -14.124 1.00 72.22 H new ATOM 0 HG3 LYS A 43 -3.393 -7.747 -13.190 1.00 72.22 H new ATOM 0 HD2 LYS A 43 -4.898 -6.360 -14.480 1.00 74.13 H new ATOM 0 HD3 LYS A 43 -5.076 -5.926 -12.791 1.00 74.13 H new ATOM 0 HE2 LYS A 43 -3.676 -3.941 -13.089 1.00 35.34 H new ATOM 0 HE3 LYS A 43 -3.277 -4.414 -14.729 1.00 35.34 H new ATOM 0 HZ1 LYS A 43 -4.997 -2.733 -14.695 1.00 31.01 H new ATOM 0 HZ2 LYS A 43 -5.612 -4.181 -15.335 1.00 31.01 H new ATOM 0 HZ3 LYS A 43 -5.999 -3.723 -13.746 1.00 31.01 H new ATOM 695 N LEU A 44 0.074 -5.174 -10.438 1.00 21.31 N ATOM 696 CA LEU A 44 0.591 -4.505 -9.237 1.00 61.23 C ATOM 697 C LEU A 44 0.349 -2.988 -9.311 1.00 23.02 C ATOM 698 O LEU A 44 0.423 -2.397 -10.383 1.00 32.43 O ATOM 699 CB LEU A 44 2.092 -4.824 -9.050 1.00 1.02 C ATOM 700 CG LEU A 44 3.024 -4.497 -10.242 1.00 5.52 C ATOM 701 CD1 LEU A 44 3.413 -3.018 -10.265 1.00 10.13 C ATOM 702 CD2 LEU A 44 4.272 -5.375 -10.205 1.00 5.43 C ATOM 0 H LEU A 44 0.243 -4.661 -11.303 1.00 21.31 H new ATOM 0 HA LEU A 44 0.053 -4.884 -8.368 1.00 61.23 H new ATOM 0 HB2 LEU A 44 2.450 -4.278 -8.178 1.00 1.02 H new ATOM 0 HB3 LEU A 44 2.189 -5.886 -8.823 1.00 1.02 H new ATOM 0 HG LEU A 44 2.472 -4.709 -11.158 1.00 5.52 H new ATOM 0 HD11 LEU A 44 4.067 -2.827 -11.116 1.00 10.13 H new ATOM 0 HD12 LEU A 44 2.515 -2.407 -10.354 1.00 10.13 H new ATOM 0 HD13 LEU A 44 3.934 -2.765 -9.342 1.00 10.13 H new ATOM 0 HD21 LEU A 44 4.914 -5.130 -11.051 1.00 5.43 H new ATOM 0 HD22 LEU A 44 4.813 -5.199 -9.275 1.00 5.43 H new ATOM 0 HD23 LEU A 44 3.981 -6.424 -10.262 1.00 5.43 H new ATOM 714 N ALA A 45 0.045 -2.364 -8.181 1.00 21.10 N ATOM 715 CA ALA A 45 -0.212 -0.918 -8.141 1.00 14.21 C ATOM 716 C ALA A 45 0.668 -0.219 -7.100 1.00 44.51 C ATOM 717 O ALA A 45 1.047 -0.816 -6.095 1.00 3.42 O ATOM 718 CB ALA A 45 -1.684 -0.651 -7.853 1.00 70.11 C ATOM 0 H ALA A 45 -0.031 -2.830 -7.277 1.00 21.10 H new ATOM 0 HA ALA A 45 0.040 -0.508 -9.119 1.00 14.21 H new ATOM 0 HB1 ALA A 45 -1.860 0.424 -7.826 1.00 70.11 H new ATOM 0 HB2 ALA A 45 -2.295 -1.099 -8.636 1.00 70.11 H new ATOM 0 HB3 ALA A 45 -1.951 -1.087 -6.890 1.00 70.11 H new ATOM 724 N ASN A 46 0.980 1.053 -7.341 1.00 51.40 N ATOM 725 CA ASN A 46 1.846 1.824 -6.439 1.00 53.05 C ATOM 726 C ASN A 46 1.141 3.082 -5.911 1.00 15.25 C ATOM 727 O ASN A 46 0.861 4.018 -6.665 1.00 43.22 O ATOM 728 CB ASN A 46 3.148 2.214 -7.153 1.00 63.54 C ATOM 729 CG ASN A 46 4.040 1.017 -7.429 1.00 54.42 C ATOM 730 OD1 ASN A 46 4.898 0.670 -6.626 1.00 10.30 O ATOM 731 ND2 ASN A 46 3.843 0.374 -8.562 1.00 4.43 N ATOM 0 H ASN A 46 0.648 1.575 -8.152 1.00 51.40 H new ATOM 0 HA ASN A 46 2.079 1.187 -5.585 1.00 53.05 H new ATOM 0 HB2 ASN A 46 2.908 2.709 -8.094 1.00 63.54 H new ATOM 0 HB3 ASN A 46 3.692 2.935 -6.543 1.00 63.54 H new ATOM 0 HD21 ASN A 46 4.414 -0.439 -8.793 1.00 4.43 H new ATOM 0 HD22 ASN A 46 3.120 0.690 -9.208 1.00 4.43 H new ATOM 738 N VAL A 47 0.849 3.089 -4.615 1.00 1.44 N ATOM 739 CA VAL A 47 0.248 4.250 -3.951 1.00 51.41 C ATOM 740 C VAL A 47 1.259 4.909 -3.001 1.00 54.44 C ATOM 741 O VAL A 47 1.748 4.280 -2.061 1.00 23.44 O ATOM 742 CB VAL A 47 -1.025 3.847 -3.157 1.00 63.11 C ATOM 743 CG1 VAL A 47 -1.624 5.054 -2.436 1.00 21.11 C ATOM 744 CG2 VAL A 47 -2.055 3.207 -4.086 1.00 3.52 C ATOM 0 H VAL A 47 1.019 2.297 -3.995 1.00 1.44 H new ATOM 0 HA VAL A 47 -0.037 4.962 -4.726 1.00 51.41 H new ATOM 0 HB VAL A 47 -0.738 3.114 -2.404 1.00 63.11 H new ATOM 0 HG11 VAL A 47 -2.514 4.745 -1.888 1.00 21.11 H new ATOM 0 HG12 VAL A 47 -0.892 5.462 -1.739 1.00 21.11 H new ATOM 0 HG13 VAL A 47 -1.894 5.817 -3.166 1.00 21.11 H new ATOM 0 HG21 VAL A 47 -2.940 2.931 -3.513 1.00 3.52 H new ATOM 0 HG22 VAL A 47 -2.334 3.917 -4.865 1.00 3.52 H new ATOM 0 HG23 VAL A 47 -1.627 2.315 -4.544 1.00 3.52 H new ATOM 754 N ILE A 48 1.579 6.174 -3.255 1.00 22.03 N ATOM 755 CA ILE A 48 2.569 6.895 -2.451 1.00 23.14 C ATOM 756 C ILE A 48 1.898 7.672 -1.309 1.00 51.21 C ATOM 757 O ILE A 48 1.208 8.673 -1.536 1.00 3.44 O ATOM 758 CB ILE A 48 3.399 7.874 -3.319 1.00 70.12 C ATOM 759 CG1 ILE A 48 4.022 7.138 -4.519 1.00 1.00 C ATOM 760 CG2 ILE A 48 4.486 8.552 -2.481 1.00 42.14 C ATOM 761 CD1 ILE A 48 4.937 5.992 -4.133 1.00 14.33 C ATOM 0 H ILE A 48 1.169 6.724 -4.010 1.00 22.03 H new ATOM 0 HA ILE A 48 3.238 6.146 -2.027 1.00 23.14 H new ATOM 0 HB ILE A 48 2.729 8.646 -3.699 1.00 70.12 H new ATOM 0 HG12 ILE A 48 3.222 6.753 -5.151 1.00 1.00 H new ATOM 0 HG13 ILE A 48 4.586 7.853 -5.118 1.00 1.00 H new ATOM 0 HG21 ILE A 48 5.057 9.235 -3.110 1.00 42.14 H new ATOM 0 HG22 ILE A 48 4.023 9.109 -1.667 1.00 42.14 H new ATOM 0 HG23 ILE A 48 5.153 7.795 -2.069 1.00 42.14 H new ATOM 0 HD11 ILE A 48 5.335 5.525 -5.034 1.00 14.33 H new ATOM 0 HD12 ILE A 48 5.760 6.371 -3.527 1.00 14.33 H new ATOM 0 HD13 ILE A 48 4.375 5.254 -3.561 1.00 14.33 H new ATOM 773 N ILE A 49 2.102 7.199 -0.082 1.00 43.43 N ATOM 774 CA ILE A 49 1.510 7.825 1.102 1.00 61.41 C ATOM 775 C ILE A 49 2.566 8.582 1.923 1.00 73.44 C ATOM 776 O ILE A 49 3.713 8.151 2.038 1.00 14.51 O ATOM 777 CB ILE A 49 0.802 6.775 2.002 1.00 2.42 C ATOM 778 CG1 ILE A 49 1.790 5.683 2.454 1.00 1.24 C ATOM 779 CG2 ILE A 49 -0.389 6.158 1.262 1.00 74.14 C ATOM 780 CD1 ILE A 49 1.170 4.619 3.340 1.00 63.00 C ATOM 0 H ILE A 49 2.675 6.380 0.121 1.00 43.43 H new ATOM 0 HA ILE A 49 0.767 8.539 0.746 1.00 61.41 H new ATOM 0 HB ILE A 49 0.431 7.280 2.894 1.00 2.42 H new ATOM 0 HG12 ILE A 49 2.215 5.204 1.572 1.00 1.24 H new ATOM 0 HG13 ILE A 49 2.615 6.153 2.990 1.00 1.24 H new ATOM 0 HG21 ILE A 49 -0.876 5.424 1.904 1.00 74.14 H new ATOM 0 HG22 ILE A 49 -1.101 6.941 1.002 1.00 74.14 H new ATOM 0 HG23 ILE A 49 -0.039 5.669 0.353 1.00 74.14 H new ATOM 0 HD11 ILE A 49 1.929 3.887 3.616 1.00 63.00 H new ATOM 0 HD12 ILE A 49 0.770 5.084 4.241 1.00 63.00 H new ATOM 0 HD13 ILE A 49 0.365 4.121 2.801 1.00 63.00 H new ATOM 792 N ALA A 50 2.169 9.718 2.483 1.00 13.02 N ATOM 793 CA ALA A 50 3.071 10.551 3.283 1.00 40.00 C ATOM 794 C ALA A 50 2.500 10.809 4.683 1.00 24.20 C ATOM 795 O ALA A 50 1.338 11.185 4.831 1.00 65.33 O ATOM 796 CB ALA A 50 3.329 11.874 2.568 1.00 15.41 C ATOM 0 H ALA A 50 1.223 10.089 2.399 1.00 13.02 H new ATOM 0 HA ALA A 50 4.012 10.014 3.400 1.00 40.00 H new ATOM 0 HB1 ALA A 50 4.000 12.488 3.169 1.00 15.41 H new ATOM 0 HB2 ALA A 50 3.786 11.680 1.598 1.00 15.41 H new ATOM 0 HB3 ALA A 50 2.385 12.401 2.426 1.00 15.41 H new ATOM 802 N ASP A 51 3.319 10.590 5.703 1.00 43.23 N ATOM 803 CA ASP A 51 2.925 10.846 7.091 1.00 22.52 C ATOM 804 C ASP A 51 3.965 11.734 7.797 1.00 64.44 C ATOM 805 O ASP A 51 5.107 11.861 7.341 1.00 23.14 O ATOM 806 CB ASP A 51 2.758 9.513 7.836 1.00 45.32 C ATOM 807 CG ASP A 51 2.311 9.701 9.275 1.00 74.31 C ATOM 808 OD1 ASP A 51 1.148 10.096 9.494 1.00 65.30 O ATOM 809 OD2 ASP A 51 3.129 9.471 10.193 1.00 64.24 O ATOM 0 H ASP A 51 4.269 10.233 5.598 1.00 43.23 H new ATOM 0 HA ASP A 51 1.973 11.376 7.095 1.00 22.52 H new ATOM 0 HB2 ASP A 51 2.029 8.896 7.311 1.00 45.32 H new ATOM 0 HB3 ASP A 51 3.704 8.971 7.821 1.00 45.32 H new ATOM 814 N ASP A 52 3.575 12.340 8.917 1.00 4.44 N ATOM 815 CA ASP A 52 4.475 13.205 9.686 1.00 44.24 C ATOM 816 C ASP A 52 5.729 12.460 10.174 1.00 0.45 C ATOM 817 O ASP A 52 6.718 13.086 10.562 1.00 33.42 O ATOM 818 CB ASP A 52 3.726 13.815 10.874 1.00 13.23 C ATOM 819 CG ASP A 52 2.724 14.862 10.429 1.00 73.40 C ATOM 820 OD1 ASP A 52 1.579 14.499 10.087 1.00 31.15 O ATOM 821 OD2 ASP A 52 3.088 16.059 10.407 1.00 62.42 O ATOM 0 H ASP A 52 2.640 12.249 9.315 1.00 4.44 H new ATOM 0 HA ASP A 52 4.813 13.998 9.019 1.00 44.24 H new ATOM 0 HB2 ASP A 52 3.209 13.027 11.422 1.00 13.23 H new ATOM 0 HB3 ASP A 52 4.441 14.265 11.562 1.00 13.23 H new ATOM 826 N THR A 53 5.690 11.131 10.165 1.00 12.43 N ATOM 827 CA THR A 53 6.849 10.326 10.577 1.00 11.12 C ATOM 828 C THR A 53 7.635 9.782 9.373 1.00 43.03 C ATOM 829 O THR A 53 8.708 9.199 9.540 1.00 55.43 O ATOM 830 CB THR A 53 6.427 9.139 11.471 1.00 45.33 C ATOM 831 OG1 THR A 53 5.662 8.194 10.710 1.00 2.44 O ATOM 832 CG2 THR A 53 5.605 9.618 12.665 1.00 13.12 C ATOM 0 H THR A 53 4.877 10.586 9.880 1.00 12.43 H new ATOM 0 HA THR A 53 7.493 10.998 11.144 1.00 11.12 H new ATOM 0 HB THR A 53 7.333 8.659 11.842 1.00 45.33 H new ATOM 0 HG1 THR A 53 4.789 8.581 10.490 1.00 2.44 H new ATOM 0 HG21 THR A 53 5.321 8.763 13.278 1.00 13.12 H new ATOM 0 HG22 THR A 53 6.199 10.310 13.261 1.00 13.12 H new ATOM 0 HG23 THR A 53 4.707 10.124 12.309 1.00 13.12 H new ATOM 840 N GLY A 54 7.108 9.975 8.163 1.00 21.33 N ATOM 841 CA GLY A 54 7.798 9.505 6.964 1.00 23.44 C ATOM 842 C GLY A 54 6.861 9.174 5.805 1.00 12.12 C ATOM 843 O GLY A 54 5.646 9.121 5.974 1.00 53.12 O ATOM 0 H GLY A 54 6.220 10.446 7.989 1.00 21.33 H new ATOM 0 HA2 GLY A 54 8.506 10.268 6.640 1.00 23.44 H new ATOM 0 HA3 GLY A 54 8.379 8.617 7.215 1.00 23.44 H new ATOM 847 N GLU A 55 7.429 8.979 4.616 1.00 21.04 N ATOM 848 CA GLU A 55 6.660 8.554 3.437 1.00 61.12 C ATOM 849 C GLU A 55 6.890 7.058 3.139 1.00 5.22 C ATOM 850 O GLU A 55 7.949 6.511 3.458 1.00 4.51 O ATOM 851 CB GLU A 55 7.068 9.382 2.213 1.00 14.44 C ATOM 852 CG GLU A 55 6.926 10.889 2.393 1.00 43.10 C ATOM 853 CD GLU A 55 7.478 11.669 1.208 1.00 51.23 C ATOM 854 OE1 GLU A 55 8.719 11.820 1.119 1.00 70.02 O ATOM 855 OE2 GLU A 55 6.688 12.127 0.360 1.00 45.35 O ATOM 0 H GLU A 55 8.425 9.108 4.439 1.00 21.04 H new ATOM 0 HA GLU A 55 5.603 8.712 3.651 1.00 61.12 H new ATOM 0 HB2 GLU A 55 8.105 9.155 1.966 1.00 14.44 H new ATOM 0 HB3 GLU A 55 6.462 9.072 1.362 1.00 14.44 H new ATOM 0 HG2 GLU A 55 5.874 11.138 2.530 1.00 43.10 H new ATOM 0 HG3 GLU A 55 7.447 11.195 3.300 1.00 43.10 H new ATOM 862 N LEU A 56 5.911 6.412 2.505 1.00 12.43 N ATOM 863 CA LEU A 56 5.985 4.968 2.219 1.00 62.02 C ATOM 864 C LEU A 56 5.383 4.627 0.840 1.00 20.14 C ATOM 865 O LEU A 56 4.388 5.222 0.416 1.00 55.04 O ATOM 866 CB LEU A 56 5.242 4.186 3.315 1.00 53.41 C ATOM 867 CG LEU A 56 5.350 2.653 3.232 1.00 5.00 C ATOM 868 CD1 LEU A 56 6.769 2.193 3.552 1.00 71.01 C ATOM 869 CD2 LEU A 56 4.344 1.989 4.167 1.00 2.44 C ATOM 0 H LEU A 56 5.055 6.860 2.177 1.00 12.43 H new ATOM 0 HA LEU A 56 7.037 4.683 2.204 1.00 62.02 H new ATOM 0 HB2 LEU A 56 5.622 4.506 4.285 1.00 53.41 H new ATOM 0 HB3 LEU A 56 4.188 4.460 3.279 1.00 53.41 H new ATOM 0 HG LEU A 56 5.117 2.351 2.211 1.00 5.00 H new ATOM 0 HD11 LEU A 56 6.822 1.106 3.487 1.00 71.01 H new ATOM 0 HD12 LEU A 56 7.464 2.634 2.837 1.00 71.01 H new ATOM 0 HD13 LEU A 56 7.036 2.510 4.560 1.00 71.01 H new ATOM 0 HD21 LEU A 56 4.438 0.906 4.092 1.00 2.44 H new ATOM 0 HD22 LEU A 56 4.540 2.300 5.193 1.00 2.44 H new ATOM 0 HD23 LEU A 56 3.334 2.286 3.885 1.00 2.44 H new ATOM 881 N ARG A 57 5.993 3.662 0.145 1.00 22.53 N ATOM 882 CA ARG A 57 5.466 3.175 -1.139 1.00 61.04 C ATOM 883 C ARG A 57 4.594 1.923 -0.931 1.00 64.31 C ATOM 884 O ARG A 57 5.103 0.831 -0.679 1.00 62.12 O ATOM 885 CB ARG A 57 6.618 2.865 -2.113 1.00 20.44 C ATOM 886 CG ARG A 57 6.152 2.402 -3.496 1.00 42.41 C ATOM 887 CD ARG A 57 7.318 2.219 -4.469 1.00 2.32 C ATOM 888 NE ARG A 57 8.179 1.086 -4.115 1.00 33.51 N ATOM 889 CZ ARG A 57 9.481 1.079 -4.256 1.00 42.03 C ATOM 890 NH1 ARG A 57 10.105 2.121 -4.706 1.00 24.52 N ATOM 891 NH2 ARG A 57 10.159 0.020 -3.968 1.00 51.35 N ATOM 0 H ARG A 57 6.851 3.201 0.447 1.00 22.53 H new ATOM 0 HA ARG A 57 4.845 3.960 -1.571 1.00 61.04 H new ATOM 0 HB2 ARG A 57 7.234 3.757 -2.228 1.00 20.44 H new ATOM 0 HB3 ARG A 57 7.252 2.093 -1.677 1.00 20.44 H new ATOM 0 HG2 ARG A 57 5.611 1.460 -3.399 1.00 42.41 H new ATOM 0 HG3 ARG A 57 5.452 3.131 -3.904 1.00 42.41 H new ATOM 0 HD2 ARG A 57 6.926 2.072 -5.475 1.00 2.32 H new ATOM 0 HD3 ARG A 57 7.915 3.131 -4.490 1.00 2.32 H new ATOM 0 HE ARG A 57 7.735 0.250 -3.735 1.00 33.51 H new ATOM 0 HH11 ARG A 57 9.582 2.960 -4.955 1.00 24.52 H new ATOM 0 HH12 ARG A 57 11.119 2.102 -4.811 1.00 24.52 H new ATOM 0 HH21 ARG A 57 9.681 -0.815 -3.629 1.00 51.35 H new ATOM 0 HH22 ARG A 57 11.173 0.018 -4.079 1.00 51.35 H new ATOM 905 N ALA A 58 3.278 2.091 -1.026 1.00 25.14 N ATOM 906 CA ALA A 58 2.337 0.981 -0.845 1.00 60.01 C ATOM 907 C ALA A 58 2.109 0.216 -2.159 1.00 44.10 C ATOM 908 O ALA A 58 1.677 0.793 -3.158 1.00 72.01 O ATOM 909 CB ALA A 58 1.017 1.507 -0.294 1.00 33.13 C ATOM 0 H ALA A 58 2.834 2.987 -1.228 1.00 25.14 H new ATOM 0 HA ALA A 58 2.769 0.280 -0.130 1.00 60.01 H new ATOM 0 HB1 ALA A 58 0.322 0.678 -0.162 1.00 33.13 H new ATOM 0 HB2 ALA A 58 1.191 1.992 0.667 1.00 33.13 H new ATOM 0 HB3 ALA A 58 0.593 2.228 -0.993 1.00 33.13 H new ATOM 915 N VAL A 59 2.405 -1.084 -2.155 1.00 43.34 N ATOM 916 CA VAL A 59 2.264 -1.918 -3.356 1.00 62.31 C ATOM 917 C VAL A 59 1.006 -2.800 -3.295 1.00 64.34 C ATOM 918 O VAL A 59 0.952 -3.785 -2.551 1.00 64.14 O ATOM 919 CB VAL A 59 3.511 -2.813 -3.570 1.00 2.20 C ATOM 920 CG1 VAL A 59 3.374 -3.644 -4.848 1.00 4.04 C ATOM 921 CG2 VAL A 59 4.780 -1.960 -3.607 1.00 54.25 C ATOM 0 H VAL A 59 2.744 -1.586 -1.334 1.00 43.34 H new ATOM 0 HA VAL A 59 2.167 -1.234 -4.199 1.00 62.31 H new ATOM 0 HB VAL A 59 3.586 -3.503 -2.730 1.00 2.20 H new ATOM 0 HG11 VAL A 59 4.262 -4.264 -4.976 1.00 4.04 H new ATOM 0 HG12 VAL A 59 2.493 -4.282 -4.774 1.00 4.04 H new ATOM 0 HG13 VAL A 59 3.269 -2.979 -5.705 1.00 4.04 H new ATOM 0 HG21 VAL A 59 5.647 -2.604 -3.758 1.00 54.25 H new ATOM 0 HG22 VAL A 59 4.713 -1.244 -4.426 1.00 54.25 H new ATOM 0 HG23 VAL A 59 4.886 -1.424 -2.664 1.00 54.25 H new ATOM 931 N PHE A 60 -0.002 -2.437 -4.085 1.00 13.13 N ATOM 932 CA PHE A 60 -1.258 -3.193 -4.145 1.00 65.15 C ATOM 933 C PHE A 60 -1.226 -4.230 -5.274 1.00 32.42 C ATOM 934 O PHE A 60 -1.352 -3.894 -6.452 1.00 13.35 O ATOM 935 CB PHE A 60 -2.452 -2.244 -4.343 1.00 61.13 C ATOM 936 CG PHE A 60 -2.766 -1.384 -3.142 1.00 5.11 C ATOM 937 CD1 PHE A 60 -1.906 -0.368 -2.745 1.00 43.22 C ATOM 938 CD2 PHE A 60 -3.931 -1.590 -2.414 1.00 21.02 C ATOM 939 CE1 PHE A 60 -2.203 0.422 -1.649 1.00 3.20 C ATOM 940 CE2 PHE A 60 -4.230 -0.802 -1.319 1.00 45.22 C ATOM 941 CZ PHE A 60 -3.365 0.202 -0.935 1.00 50.12 C ATOM 0 H PHE A 60 0.024 -1.621 -4.696 1.00 13.13 H new ATOM 0 HA PHE A 60 -1.374 -3.718 -3.197 1.00 65.15 H new ATOM 0 HB2 PHE A 60 -2.249 -1.597 -5.196 1.00 61.13 H new ATOM 0 HB3 PHE A 60 -3.333 -2.835 -4.593 1.00 61.13 H new ATOM 0 HD1 PHE A 60 -0.995 -0.193 -3.298 1.00 43.22 H new ATOM 0 HD2 PHE A 60 -4.611 -2.376 -2.707 1.00 21.02 H new ATOM 0 HE1 PHE A 60 -1.527 1.210 -1.352 1.00 3.20 H new ATOM 0 HE2 PHE A 60 -5.141 -0.972 -0.764 1.00 45.22 H new ATOM 0 HZ PHE A 60 -3.596 0.816 -0.077 1.00 50.12 H new ATOM 951 N TRP A 61 -1.049 -5.490 -4.901 1.00 13.52 N ATOM 952 CA TRP A 61 -1.064 -6.597 -5.861 1.00 33.32 C ATOM 953 C TRP A 61 -2.488 -6.881 -6.365 1.00 62.44 C ATOM 954 O TRP A 61 -3.463 -6.445 -5.761 1.00 32.10 O ATOM 955 CB TRP A 61 -0.443 -7.852 -5.234 1.00 64.43 C ATOM 956 CG TRP A 61 1.023 -7.690 -4.941 1.00 11.42 C ATOM 957 CD1 TRP A 61 1.597 -7.335 -3.752 1.00 62.32 C ATOM 958 CD2 TRP A 61 2.102 -7.865 -5.868 1.00 73.24 C ATOM 959 NE1 TRP A 61 2.965 -7.287 -3.886 1.00 32.32 N ATOM 960 CE2 TRP A 61 3.298 -7.605 -5.175 1.00 3.32 C ATOM 961 CE3 TRP A 61 2.170 -8.216 -7.218 1.00 44.15 C ATOM 962 CZ2 TRP A 61 4.547 -7.689 -5.784 1.00 32.42 C ATOM 963 CZ3 TRP A 61 3.412 -8.298 -7.823 1.00 13.11 C ATOM 964 CH2 TRP A 61 4.585 -8.033 -7.106 1.00 51.55 C ATOM 0 H TRP A 61 -0.892 -5.777 -3.935 1.00 13.52 H new ATOM 0 HA TRP A 61 -0.464 -6.307 -6.724 1.00 33.32 H new ATOM 0 HB2 TRP A 61 -0.970 -8.090 -4.310 1.00 64.43 H new ATOM 0 HB3 TRP A 61 -0.583 -8.697 -5.908 1.00 64.43 H new ATOM 0 HD1 TRP A 61 1.056 -7.123 -2.842 1.00 62.32 H new ATOM 0 HE1 TRP A 61 3.625 -7.052 -3.144 1.00 32.32 H new ATOM 0 HE3 TRP A 61 1.270 -8.420 -7.779 1.00 44.15 H new ATOM 0 HZ2 TRP A 61 5.453 -7.489 -5.232 1.00 32.42 H new ATOM 0 HZ3 TRP A 61 3.478 -8.571 -8.866 1.00 13.11 H new ATOM 0 HH2 TRP A 61 5.539 -8.102 -7.608 1.00 51.55 H new ATOM 975 N THR A 62 -2.589 -7.577 -7.501 1.00 73.23 N ATOM 976 CA THR A 62 -3.889 -7.916 -8.126 1.00 10.20 C ATOM 977 C THR A 62 -4.968 -8.352 -7.111 1.00 23.54 C ATOM 978 O THR A 62 -6.153 -8.053 -7.286 1.00 5.51 O ATOM 979 CB THR A 62 -3.727 -9.029 -9.194 1.00 3.53 C ATOM 980 OG1 THR A 62 -5.006 -9.419 -9.713 1.00 45.33 O ATOM 981 CG2 THR A 62 -3.015 -10.248 -8.619 1.00 10.14 C ATOM 0 H THR A 62 -1.781 -7.924 -8.018 1.00 73.23 H new ATOM 0 HA THR A 62 -4.228 -6.992 -8.594 1.00 10.20 H new ATOM 0 HB THR A 62 -3.119 -8.622 -10.002 1.00 3.53 H new ATOM 0 HG1 THR A 62 -4.886 -10.121 -10.386 1.00 45.33 H new ATOM 0 HG21 THR A 62 -2.917 -11.010 -9.392 1.00 10.14 H new ATOM 0 HG22 THR A 62 -2.025 -9.959 -8.267 1.00 10.14 H new ATOM 0 HG23 THR A 62 -3.594 -10.648 -7.786 1.00 10.14 H new ATOM 989 N GLU A 63 -4.557 -9.036 -6.048 1.00 72.43 N ATOM 990 CA GLU A 63 -5.491 -9.512 -5.018 1.00 41.25 C ATOM 991 C GLU A 63 -6.113 -8.352 -4.210 1.00 71.45 C ATOM 992 O GLU A 63 -7.227 -8.464 -3.697 1.00 33.00 O ATOM 993 CB GLU A 63 -4.764 -10.470 -4.065 1.00 2.02 C ATOM 994 CG GLU A 63 -4.160 -11.693 -4.751 1.00 43.01 C ATOM 995 CD GLU A 63 -5.206 -12.575 -5.413 1.00 35.11 C ATOM 996 OE1 GLU A 63 -5.978 -13.235 -4.687 1.00 30.42 O ATOM 997 OE2 GLU A 63 -5.257 -12.626 -6.662 1.00 54.33 O ATOM 0 H GLU A 63 -3.582 -9.277 -5.872 1.00 72.43 H new ATOM 0 HA GLU A 63 -6.303 -10.030 -5.528 1.00 41.25 H new ATOM 0 HB2 GLU A 63 -3.971 -9.924 -3.554 1.00 2.02 H new ATOM 0 HB3 GLU A 63 -5.464 -10.805 -3.300 1.00 2.02 H new ATOM 0 HG2 GLU A 63 -3.441 -11.365 -5.501 1.00 43.01 H new ATOM 0 HG3 GLU A 63 -3.609 -12.280 -4.017 1.00 43.01 H new ATOM 1004 N ASN A 64 -5.386 -7.243 -4.098 1.00 71.25 N ATOM 1005 CA ASN A 64 -5.823 -6.094 -3.289 1.00 51.43 C ATOM 1006 C ASN A 64 -6.304 -4.900 -4.136 1.00 10.44 C ATOM 1007 O ASN A 64 -6.611 -3.839 -3.591 1.00 62.13 O ATOM 1008 CB ASN A 64 -4.675 -5.643 -2.382 1.00 24.44 C ATOM 1009 CG ASN A 64 -4.198 -6.753 -1.471 1.00 5.15 C ATOM 1010 OD1 ASN A 64 -3.310 -7.520 -1.823 1.00 44.33 O ATOM 1011 ND2 ASN A 64 -4.779 -6.845 -0.293 1.00 33.10 N ATOM 0 H ASN A 64 -4.485 -7.110 -4.558 1.00 71.25 H new ATOM 0 HA ASN A 64 -6.677 -6.429 -2.700 1.00 51.43 H new ATOM 0 HB2 ASN A 64 -3.844 -5.296 -2.996 1.00 24.44 H new ATOM 0 HB3 ASN A 64 -5.001 -4.795 -1.779 1.00 24.44 H new ATOM 0 HD21 ASN A 64 -4.493 -7.573 0.361 1.00 33.10 H new ATOM 0 HD22 ASN A 64 -5.515 -6.188 -0.035 1.00 33.10 H new ATOM 1018 N ILE A 65 -6.384 -5.066 -5.456 1.00 13.13 N ATOM 1019 CA ILE A 65 -6.848 -3.979 -6.341 1.00 60.11 C ATOM 1020 C ILE A 65 -8.254 -3.484 -5.942 1.00 64.11 C ATOM 1021 O ILE A 65 -8.571 -2.300 -6.074 1.00 42.42 O ATOM 1022 CB ILE A 65 -6.857 -4.421 -7.831 1.00 72.03 C ATOM 1023 CG1 ILE A 65 -5.442 -4.822 -8.286 1.00 74.21 C ATOM 1024 CG2 ILE A 65 -7.412 -3.312 -8.726 1.00 35.42 C ATOM 1025 CD1 ILE A 65 -4.419 -3.706 -8.191 1.00 13.41 C ATOM 0 H ILE A 65 -6.138 -5.930 -5.939 1.00 13.13 H new ATOM 0 HA ILE A 65 -6.141 -3.158 -6.223 1.00 60.11 H new ATOM 0 HB ILE A 65 -7.509 -5.290 -7.921 1.00 72.03 H new ATOM 0 HG12 ILE A 65 -5.103 -5.663 -7.681 1.00 74.21 H new ATOM 0 HG13 ILE A 65 -5.489 -5.170 -9.318 1.00 74.21 H new ATOM 0 HG21 ILE A 65 -7.408 -3.646 -9.764 1.00 35.42 H new ATOM 0 HG22 ILE A 65 -8.433 -3.078 -8.424 1.00 35.42 H new ATOM 0 HG23 ILE A 65 -6.791 -2.421 -8.629 1.00 35.42 H new ATOM 0 HD11 ILE A 65 -3.450 -4.071 -8.530 1.00 13.41 H new ATOM 0 HD12 ILE A 65 -4.732 -2.871 -8.818 1.00 13.41 H new ATOM 0 HD13 ILE A 65 -4.339 -3.372 -7.156 1.00 13.41 H new ATOM 1037 N LYS A 66 -9.083 -4.394 -5.430 1.00 43.51 N ATOM 1038 CA LYS A 66 -10.434 -4.049 -4.954 1.00 44.35 C ATOM 1039 C LYS A 66 -10.417 -2.951 -3.870 1.00 20.12 C ATOM 1040 O LYS A 66 -11.435 -2.315 -3.604 1.00 64.02 O ATOM 1041 CB LYS A 66 -11.139 -5.297 -4.401 1.00 4.23 C ATOM 1042 CG LYS A 66 -10.355 -6.017 -3.302 1.00 64.14 C ATOM 1043 CD LYS A 66 -11.200 -7.085 -2.608 1.00 51.01 C ATOM 1044 CE LYS A 66 -10.369 -7.964 -1.678 1.00 74.40 C ATOM 1045 NZ LYS A 66 -9.429 -8.832 -2.433 1.00 51.44 N ATOM 0 H LYS A 66 -8.846 -5.381 -5.332 1.00 43.51 H new ATOM 0 HA LYS A 66 -10.979 -3.660 -5.814 1.00 44.35 H new ATOM 0 HB2 LYS A 66 -12.114 -5.007 -4.008 1.00 4.23 H new ATOM 0 HB3 LYS A 66 -11.320 -5.993 -5.220 1.00 4.23 H new ATOM 0 HG2 LYS A 66 -9.467 -6.479 -3.733 1.00 64.14 H new ATOM 0 HG3 LYS A 66 -10.011 -5.291 -2.566 1.00 64.14 H new ATOM 0 HD2 LYS A 66 -11.994 -6.603 -2.037 1.00 51.01 H new ATOM 0 HD3 LYS A 66 -11.683 -7.709 -3.360 1.00 51.01 H new ATOM 0 HE2 LYS A 66 -9.808 -7.334 -0.988 1.00 74.40 H new ATOM 0 HE3 LYS A 66 -11.032 -8.584 -1.075 1.00 74.40 H new ATOM 0 HZ1 LYS A 66 -9.071 -9.582 -1.808 1.00 51.44 H new ATOM 0 HZ2 LYS A 66 -9.925 -9.261 -3.240 1.00 51.44 H new ATOM 0 HZ3 LYS A 66 -8.632 -8.261 -2.780 1.00 51.44 H new ATOM 1059 N LEU A 67 -9.264 -2.741 -3.242 1.00 72.24 N ATOM 1060 CA LEU A 67 -9.121 -1.716 -2.201 1.00 2.11 C ATOM 1061 C LEU A 67 -8.885 -0.320 -2.807 1.00 52.32 C ATOM 1062 O LEU A 67 -9.198 0.697 -2.185 1.00 51.33 O ATOM 1063 CB LEU A 67 -7.962 -2.087 -1.265 1.00 63.21 C ATOM 1064 CG LEU A 67 -8.123 -3.426 -0.524 1.00 54.30 C ATOM 1065 CD1 LEU A 67 -6.875 -3.749 0.294 1.00 22.10 C ATOM 1066 CD2 LEU A 67 -9.365 -3.407 0.368 1.00 52.55 C ATOM 0 H LEU A 67 -8.411 -3.266 -3.433 1.00 72.24 H new ATOM 0 HA LEU A 67 -10.052 -1.678 -1.635 1.00 2.11 H new ATOM 0 HB2 LEU A 67 -7.042 -2.121 -1.848 1.00 63.21 H new ATOM 0 HB3 LEU A 67 -7.843 -1.293 -0.527 1.00 63.21 H new ATOM 0 HG LEU A 67 -8.252 -4.211 -1.270 1.00 54.30 H new ATOM 0 HD11 LEU A 67 -7.013 -4.700 0.808 1.00 22.10 H new ATOM 0 HD12 LEU A 67 -6.013 -3.817 -0.369 1.00 22.10 H new ATOM 0 HD13 LEU A 67 -6.707 -2.961 1.028 1.00 22.10 H new ATOM 0 HD21 LEU A 67 -9.459 -4.364 0.882 1.00 52.55 H new ATOM 0 HD22 LEU A 67 -9.273 -2.608 1.103 1.00 52.55 H new ATOM 0 HD23 LEU A 67 -10.250 -3.236 -0.245 1.00 52.55 H new ATOM 1078 N LEU A 68 -8.356 -0.281 -4.029 1.00 70.22 N ATOM 1079 CA LEU A 68 -8.028 0.985 -4.703 1.00 61.45 C ATOM 1080 C LEU A 68 -9.275 1.830 -5.014 1.00 25.02 C ATOM 1081 O LEU A 68 -9.169 3.025 -5.288 1.00 2.20 O ATOM 1082 CB LEU A 68 -7.260 0.707 -6.002 1.00 1.34 C ATOM 1083 CG LEU A 68 -5.887 0.038 -5.826 1.00 22.24 C ATOM 1084 CD1 LEU A 68 -5.250 -0.249 -7.183 1.00 52.52 C ATOM 1085 CD2 LEU A 68 -4.971 0.912 -4.973 1.00 75.33 C ATOM 0 H LEU A 68 -8.143 -1.113 -4.579 1.00 70.22 H new ATOM 0 HA LEU A 68 -7.407 1.558 -4.015 1.00 61.45 H new ATOM 0 HB2 LEU A 68 -7.876 0.072 -6.639 1.00 1.34 H new ATOM 0 HB3 LEU A 68 -7.121 1.650 -6.531 1.00 1.34 H new ATOM 0 HG LEU A 68 -6.031 -0.912 -5.311 1.00 22.24 H new ATOM 0 HD11 LEU A 68 -4.279 -0.722 -7.036 1.00 52.52 H new ATOM 0 HD12 LEU A 68 -5.896 -0.915 -7.755 1.00 52.52 H new ATOM 0 HD13 LEU A 68 -5.119 0.686 -7.729 1.00 52.52 H new ATOM 0 HD21 LEU A 68 -4.004 0.423 -4.859 1.00 75.33 H new ATOM 0 HD22 LEU A 68 -4.834 1.878 -5.459 1.00 75.33 H new ATOM 0 HD23 LEU A 68 -5.420 1.060 -3.991 1.00 75.33 H new ATOM 1097 N LYS A 69 -10.455 1.212 -4.981 1.00 45.22 N ATOM 1098 CA LYS A 69 -11.704 1.933 -5.265 1.00 53.22 C ATOM 1099 C LYS A 69 -12.289 2.587 -3.999 1.00 30.13 C ATOM 1100 O LYS A 69 -13.255 3.348 -4.077 1.00 12.42 O ATOM 1101 CB LYS A 69 -12.744 0.995 -5.900 1.00 13.31 C ATOM 1102 CG LYS A 69 -13.255 -0.098 -4.964 1.00 1.31 C ATOM 1103 CD LYS A 69 -14.301 -0.979 -5.644 1.00 42.14 C ATOM 1104 CE LYS A 69 -14.892 -2.007 -4.684 1.00 0.23 C ATOM 1105 NZ LYS A 69 -15.582 -1.364 -3.533 1.00 30.55 N ATOM 0 H LYS A 69 -10.577 0.223 -4.763 1.00 45.22 H new ATOM 0 HA LYS A 69 -11.462 2.727 -5.972 1.00 53.22 H new ATOM 0 HB2 LYS A 69 -13.591 1.589 -6.243 1.00 13.31 H new ATOM 0 HB3 LYS A 69 -12.305 0.527 -6.781 1.00 13.31 H new ATOM 0 HG2 LYS A 69 -12.419 -0.714 -4.633 1.00 1.31 H new ATOM 0 HG3 LYS A 69 -13.687 0.358 -4.073 1.00 1.31 H new ATOM 0 HD2 LYS A 69 -15.100 -0.353 -6.042 1.00 42.14 H new ATOM 0 HD3 LYS A 69 -13.847 -1.493 -6.491 1.00 42.14 H new ATOM 0 HE2 LYS A 69 -15.597 -2.641 -5.221 1.00 0.23 H new ATOM 0 HE3 LYS A 69 -14.098 -2.656 -4.314 1.00 0.23 H new ATOM 0 HZ1 LYS A 69 -16.178 -2.066 -3.049 1.00 30.55 H new ATOM 0 HZ2 LYS A 69 -14.874 -0.993 -2.867 1.00 30.55 H new ATOM 0 HZ3 LYS A 69 -16.176 -0.583 -3.877 1.00 30.55 H new ATOM 1119 N LYS A 70 -11.706 2.289 -2.837 1.00 53.05 N ATOM 1120 CA LYS A 70 -12.172 2.866 -1.569 1.00 21.23 C ATOM 1121 C LYS A 70 -11.716 4.323 -1.412 1.00 21.13 C ATOM 1122 O LYS A 70 -12.532 5.245 -1.361 1.00 44.24 O ATOM 1123 CB LYS A 70 -11.652 2.050 -0.373 1.00 52.11 C ATOM 1124 CG LYS A 70 -12.151 0.608 -0.324 1.00 40.40 C ATOM 1125 CD LYS A 70 -11.832 -0.050 1.017 1.00 25.45 C ATOM 1126 CE LYS A 70 -12.474 0.715 2.171 1.00 53.41 C ATOM 1127 NZ LYS A 70 -12.191 0.106 3.498 1.00 31.43 N ATOM 0 H LYS A 70 -10.913 1.654 -2.744 1.00 53.05 H new ATOM 0 HA LYS A 70 -13.261 2.836 -1.588 1.00 21.23 H new ATOM 0 HB2 LYS A 70 -10.562 2.043 -0.401 1.00 52.11 H new ATOM 0 HB3 LYS A 70 -11.944 2.554 0.548 1.00 52.11 H new ATOM 0 HG2 LYS A 70 -13.228 0.589 -0.493 1.00 40.40 H new ATOM 0 HG3 LYS A 70 -11.692 0.035 -1.130 1.00 40.40 H new ATOM 0 HD2 LYS A 70 -12.191 -1.079 1.015 1.00 25.45 H new ATOM 0 HD3 LYS A 70 -10.752 -0.089 1.159 1.00 25.45 H new ATOM 0 HE2 LYS A 70 -12.112 1.743 2.164 1.00 53.41 H new ATOM 0 HE3 LYS A 70 -13.552 0.755 2.018 1.00 53.41 H new ATOM 0 HZ1 LYS A 70 -12.808 0.537 4.216 1.00 31.43 H new ATOM 0 HZ2 LYS A 70 -12.371 -0.917 3.456 1.00 31.43 H new ATOM 0 HZ3 LYS A 70 -11.196 0.272 3.751 1.00 31.43 H new ATOM 1141 N PHE A 71 -10.404 4.515 -1.338 1.00 41.42 N ATOM 1142 CA PHE A 71 -9.824 5.833 -1.068 1.00 3.32 C ATOM 1143 C PHE A 71 -9.508 6.609 -2.352 1.00 61.31 C ATOM 1144 O PHE A 71 -9.374 6.036 -3.437 1.00 34.14 O ATOM 1145 CB PHE A 71 -8.556 5.687 -0.213 1.00 62.22 C ATOM 1146 CG PHE A 71 -7.501 4.780 -0.812 1.00 52.43 C ATOM 1147 CD1 PHE A 71 -7.538 3.409 -0.588 1.00 3.43 C ATOM 1148 CD2 PHE A 71 -6.477 5.298 -1.596 1.00 31.13 C ATOM 1149 CE1 PHE A 71 -6.576 2.577 -1.129 1.00 22.21 C ATOM 1150 CE2 PHE A 71 -5.514 4.466 -2.137 1.00 4.44 C ATOM 1151 CZ PHE A 71 -5.564 3.106 -1.905 1.00 21.12 C ATOM 0 H PHE A 71 -9.715 3.773 -1.461 1.00 41.42 H new ATOM 0 HA PHE A 71 -10.571 6.408 -0.521 1.00 3.32 H new ATOM 0 HB2 PHE A 71 -8.122 6.675 -0.056 1.00 62.22 H new ATOM 0 HB3 PHE A 71 -8.835 5.302 0.768 1.00 62.22 H new ATOM 0 HD1 PHE A 71 -8.328 2.988 0.016 1.00 3.43 H new ATOM 0 HD2 PHE A 71 -6.433 6.361 -1.785 1.00 31.13 H new ATOM 0 HE1 PHE A 71 -6.616 1.514 -0.945 1.00 22.21 H new ATOM 0 HE2 PHE A 71 -4.721 4.881 -2.742 1.00 4.44 H new ATOM 0 HZ PHE A 71 -4.813 2.457 -2.330 1.00 21.12 H new ATOM 1161 N ARG A 72 -9.395 7.925 -2.211 1.00 54.34 N ATOM 1162 CA ARG A 72 -9.047 8.810 -3.324 1.00 53.32 C ATOM 1163 C ARG A 72 -7.626 9.367 -3.152 1.00 2.55 C ATOM 1164 O ARG A 72 -7.057 9.324 -2.056 1.00 62.31 O ATOM 1165 CB ARG A 72 -10.046 9.970 -3.385 1.00 32.45 C ATOM 1166 CG ARG A 72 -11.506 9.533 -3.469 1.00 50.10 C ATOM 1167 CD ARG A 72 -12.448 10.688 -3.145 1.00 75.32 C ATOM 1168 NE ARG A 72 -12.253 11.173 -1.777 1.00 44.42 N ATOM 1169 CZ ARG A 72 -13.121 11.881 -1.107 1.00 12.13 C ATOM 1170 NH1 ARG A 72 -14.256 12.215 -1.635 1.00 33.11 N ATOM 1171 NH2 ARG A 72 -12.848 12.255 0.099 1.00 63.24 N ATOM 0 H ARG A 72 -9.541 8.410 -1.326 1.00 54.34 H new ATOM 0 HA ARG A 72 -9.086 8.237 -4.250 1.00 53.32 H new ATOM 0 HB2 ARG A 72 -9.915 10.594 -2.501 1.00 32.45 H new ATOM 0 HB3 ARG A 72 -9.813 10.590 -4.251 1.00 32.45 H new ATOM 0 HG2 ARG A 72 -11.719 9.157 -4.470 1.00 50.10 H new ATOM 0 HG3 ARG A 72 -11.683 8.711 -2.775 1.00 50.10 H new ATOM 0 HD2 ARG A 72 -12.281 11.504 -3.848 1.00 75.32 H new ATOM 0 HD3 ARG A 72 -13.481 10.363 -3.273 1.00 75.32 H new ATOM 0 HE ARG A 72 -11.374 10.940 -1.314 1.00 44.42 H new ATOM 0 HH11 ARG A 72 -14.481 11.924 -2.586 1.00 33.11 H new ATOM 0 HH12 ARG A 72 -14.924 12.769 -1.099 1.00 33.11 H new ATOM 0 HH21 ARG A 72 -11.957 11.997 0.524 1.00 63.24 H new ATOM 0 HH22 ARG A 72 -13.523 12.808 0.627 1.00 63.24 H new ATOM 1185 N GLU A 73 -7.061 9.908 -4.227 1.00 63.53 N ATOM 1186 CA GLU A 73 -5.730 10.517 -4.175 1.00 23.10 C ATOM 1187 C GLU A 73 -5.786 11.849 -3.402 1.00 64.12 C ATOM 1188 O GLU A 73 -5.792 12.937 -3.990 1.00 72.02 O ATOM 1189 CB GLU A 73 -5.191 10.719 -5.603 1.00 25.01 C ATOM 1190 CG GLU A 73 -3.741 11.195 -5.678 1.00 51.25 C ATOM 1191 CD GLU A 73 -3.273 11.436 -7.110 1.00 21.41 C ATOM 1192 OE1 GLU A 73 -3.938 12.207 -7.833 1.00 74.01 O ATOM 1193 OE2 GLU A 73 -2.248 10.853 -7.525 1.00 23.52 O ATOM 0 H GLU A 73 -7.502 9.939 -5.146 1.00 63.53 H new ATOM 0 HA GLU A 73 -5.047 9.852 -3.646 1.00 23.10 H new ATOM 0 HB2 GLU A 73 -5.278 9.778 -6.146 1.00 25.01 H new ATOM 0 HB3 GLU A 73 -5.824 11.443 -6.116 1.00 25.01 H new ATOM 0 HG2 GLU A 73 -3.636 12.117 -5.106 1.00 51.25 H new ATOM 0 HG3 GLU A 73 -3.095 10.453 -5.209 1.00 51.25 H new ATOM 1200 N GLY A 74 -5.863 11.746 -2.074 1.00 23.32 N ATOM 1201 CA GLY A 74 -6.016 12.926 -1.229 1.00 13.41 C ATOM 1202 C GLY A 74 -6.547 12.617 0.173 1.00 15.45 C ATOM 1203 O GLY A 74 -6.596 13.504 1.030 1.00 22.13 O ATOM 0 H GLY A 74 -5.822 10.863 -1.565 1.00 23.32 H new ATOM 0 HA2 GLY A 74 -5.051 13.425 -1.140 1.00 13.41 H new ATOM 0 HA3 GLY A 74 -6.693 13.626 -1.718 1.00 13.41 H new ATOM 1207 N ASP A 75 -6.972 11.377 0.409 1.00 22.13 N ATOM 1208 CA ASP A 75 -7.439 10.957 1.738 1.00 13.52 C ATOM 1209 C ASP A 75 -6.307 10.294 2.540 1.00 42.22 C ATOM 1210 O ASP A 75 -5.176 10.203 2.073 1.00 73.13 O ATOM 1211 CB ASP A 75 -8.613 9.984 1.599 1.00 14.11 C ATOM 1212 CG ASP A 75 -9.769 10.576 0.816 1.00 63.42 C ATOM 1213 OD1 ASP A 75 -10.324 11.609 1.248 1.00 51.11 O ATOM 1214 OD2 ASP A 75 -10.137 10.009 -0.230 1.00 42.34 O ATOM 0 H ASP A 75 -7.004 10.643 -0.299 1.00 22.13 H new ATOM 0 HA ASP A 75 -7.766 11.846 2.277 1.00 13.52 H new ATOM 0 HB2 ASP A 75 -8.271 9.075 1.104 1.00 14.11 H new ATOM 0 HB3 ASP A 75 -8.961 9.695 2.591 1.00 14.11 H new ATOM 1219 N VAL A 76 -6.615 9.836 3.749 1.00 53.52 N ATOM 1220 CA VAL A 76 -5.633 9.139 4.590 1.00 33.41 C ATOM 1221 C VAL A 76 -6.023 7.668 4.773 1.00 30.51 C ATOM 1222 O VAL A 76 -7.194 7.351 4.959 1.00 65.34 O ATOM 1223 CB VAL A 76 -5.511 9.809 5.978 1.00 41.44 C ATOM 1224 CG1 VAL A 76 -4.401 9.165 6.812 1.00 62.02 C ATOM 1225 CG2 VAL A 76 -5.287 11.309 5.826 1.00 22.13 C ATOM 0 H VAL A 76 -7.537 9.932 4.174 1.00 53.52 H new ATOM 0 HA VAL A 76 -4.670 9.198 4.083 1.00 33.41 H new ATOM 0 HB VAL A 76 -6.448 9.655 6.513 1.00 41.44 H new ATOM 0 HG11 VAL A 76 -4.341 9.659 7.782 1.00 62.02 H new ATOM 0 HG12 VAL A 76 -4.621 8.107 6.956 1.00 62.02 H new ATOM 0 HG13 VAL A 76 -3.448 9.269 6.293 1.00 62.02 H new ATOM 0 HG21 VAL A 76 -5.203 11.766 6.812 1.00 22.13 H new ATOM 0 HG22 VAL A 76 -4.369 11.485 5.265 1.00 22.13 H new ATOM 0 HG23 VAL A 76 -6.128 11.750 5.292 1.00 22.13 H new ATOM 1235 N ILE A 77 -5.046 6.765 4.720 1.00 64.44 N ATOM 1236 CA ILE A 77 -5.327 5.328 4.835 1.00 75.14 C ATOM 1237 C ILE A 77 -4.372 4.613 5.801 1.00 12.40 C ATOM 1238 O ILE A 77 -3.221 5.018 5.991 1.00 1.20 O ATOM 1239 CB ILE A 77 -5.263 4.620 3.454 1.00 14.33 C ATOM 1240 CG1 ILE A 77 -3.860 4.761 2.833 1.00 71.23 C ATOM 1241 CG2 ILE A 77 -6.330 5.180 2.515 1.00 72.11 C ATOM 1242 CD1 ILE A 77 -3.691 4.027 1.517 1.00 35.41 C ATOM 0 H ILE A 77 -4.060 6.996 4.599 1.00 64.44 H new ATOM 0 HA ILE A 77 -6.339 5.261 5.235 1.00 75.14 H new ATOM 0 HB ILE A 77 -5.462 3.559 3.603 1.00 14.33 H new ATOM 0 HG12 ILE A 77 -3.648 5.819 2.677 1.00 71.23 H new ATOM 0 HG13 ILE A 77 -3.121 4.389 3.542 1.00 71.23 H new ATOM 0 HG21 ILE A 77 -6.270 4.672 1.552 1.00 72.11 H new ATOM 0 HG22 ILE A 77 -7.317 5.020 2.949 1.00 72.11 H new ATOM 0 HG23 ILE A 77 -6.165 6.248 2.373 1.00 72.11 H new ATOM 0 HD11 ILE A 77 -2.677 4.175 1.145 1.00 35.41 H new ATOM 0 HD12 ILE A 77 -3.870 2.962 1.669 1.00 35.41 H new ATOM 0 HD13 ILE A 77 -4.405 4.415 0.790 1.00 35.41 H new ATOM 1254 N ARG A 78 -4.875 3.549 6.413 1.00 74.35 N ATOM 1255 CA ARG A 78 -4.063 2.647 7.222 1.00 44.44 C ATOM 1256 C ARG A 78 -4.188 1.218 6.679 1.00 13.11 C ATOM 1257 O ARG A 78 -5.254 0.603 6.751 1.00 74.11 O ATOM 1258 CB ARG A 78 -4.489 2.709 8.697 1.00 72.42 C ATOM 1259 CG ARG A 78 -3.732 1.741 9.608 1.00 65.44 C ATOM 1260 CD ARG A 78 -3.973 2.044 11.088 1.00 12.13 C ATOM 1261 NE ARG A 78 -5.385 1.957 11.461 1.00 12.34 N ATOM 1262 CZ ARG A 78 -5.914 2.578 12.486 1.00 3.42 C ATOM 1263 NH1 ARG A 78 -5.195 3.362 13.228 1.00 12.44 N ATOM 1264 NH2 ARG A 78 -7.168 2.427 12.763 1.00 64.52 N ATOM 0 H ARG A 78 -5.859 3.286 6.363 1.00 74.35 H new ATOM 0 HA ARG A 78 -3.020 2.958 7.164 1.00 44.44 H new ATOM 0 HB2 ARG A 78 -4.343 3.725 9.064 1.00 72.42 H new ATOM 0 HB3 ARG A 78 -5.556 2.496 8.765 1.00 72.42 H new ATOM 0 HG2 ARG A 78 -4.044 0.719 9.391 1.00 65.44 H new ATOM 0 HG3 ARG A 78 -2.665 1.801 9.394 1.00 65.44 H new ATOM 0 HD2 ARG A 78 -3.398 1.346 11.696 1.00 12.13 H new ATOM 0 HD3 ARG A 78 -3.603 3.044 11.315 1.00 12.13 H new ATOM 0 HE ARG A 78 -5.996 1.376 10.887 1.00 12.34 H new ATOM 0 HH11 ARG A 78 -4.207 3.500 13.016 1.00 12.44 H new ATOM 0 HH12 ARG A 78 -5.618 3.840 14.024 1.00 12.44 H new ATOM 0 HH21 ARG A 78 -7.749 1.822 12.182 1.00 64.52 H new ATOM 0 HH22 ARG A 78 -7.576 2.912 13.562 1.00 64.52 H new ATOM 1278 N ILE A 79 -3.100 0.706 6.113 1.00 13.44 N ATOM 1279 CA ILE A 79 -3.099 -0.629 5.511 1.00 72.44 C ATOM 1280 C ILE A 79 -2.779 -1.702 6.557 1.00 60.05 C ATOM 1281 O ILE A 79 -1.749 -1.637 7.233 1.00 23.45 O ATOM 1282 CB ILE A 79 -2.075 -0.728 4.352 1.00 22.51 C ATOM 1283 CG1 ILE A 79 -2.263 0.437 3.365 1.00 52.13 C ATOM 1284 CG2 ILE A 79 -2.218 -2.069 3.631 1.00 22.34 C ATOM 1285 CD1 ILE A 79 -1.286 0.422 2.206 1.00 54.51 C ATOM 0 H ILE A 79 -2.206 1.193 6.057 1.00 13.44 H new ATOM 0 HA ILE A 79 -4.099 -0.799 5.113 1.00 72.44 H new ATOM 0 HB ILE A 79 -1.071 -0.664 4.770 1.00 22.51 H new ATOM 0 HG12 ILE A 79 -3.279 0.407 2.972 1.00 52.13 H new ATOM 0 HG13 ILE A 79 -2.158 1.378 3.904 1.00 52.13 H new ATOM 0 HG21 ILE A 79 -1.493 -2.125 2.819 1.00 22.34 H new ATOM 0 HG22 ILE A 79 -2.038 -2.882 4.335 1.00 22.34 H new ATOM 0 HG23 ILE A 79 -3.225 -2.158 3.224 1.00 22.34 H new ATOM 0 HD11 ILE A 79 -1.481 1.274 1.554 1.00 54.51 H new ATOM 0 HD12 ILE A 79 -0.267 0.484 2.588 1.00 54.51 H new ATOM 0 HD13 ILE A 79 -1.406 -0.502 1.641 1.00 54.51 H new ATOM 1297 N LYS A 80 -3.657 -2.688 6.683 1.00 45.52 N ATOM 1298 CA LYS A 80 -3.512 -3.727 7.704 1.00 0.23 C ATOM 1299 C LYS A 80 -2.900 -5.019 7.129 1.00 61.13 C ATOM 1300 O LYS A 80 -3.249 -5.447 6.027 1.00 34.55 O ATOM 1301 CB LYS A 80 -4.882 -4.021 8.330 1.00 33.42 C ATOM 1302 CG LYS A 80 -4.847 -5.066 9.437 1.00 34.41 C ATOM 1303 CD LYS A 80 -6.234 -5.326 10.019 1.00 21.11 C ATOM 1304 CE LYS A 80 -6.219 -6.481 11.014 1.00 44.41 C ATOM 1305 NZ LYS A 80 -5.270 -6.237 12.132 1.00 52.21 N ATOM 0 H LYS A 80 -4.481 -2.794 6.091 1.00 45.52 H new ATOM 0 HA LYS A 80 -2.827 -3.358 8.467 1.00 0.23 H new ATOM 0 HB2 LYS A 80 -5.292 -3.095 8.732 1.00 33.42 H new ATOM 0 HB3 LYS A 80 -5.562 -4.358 7.548 1.00 33.42 H new ATOM 0 HG2 LYS A 80 -4.438 -5.997 9.045 1.00 34.41 H new ATOM 0 HG3 LYS A 80 -4.177 -4.733 10.230 1.00 34.41 H new ATOM 0 HD2 LYS A 80 -6.597 -4.424 10.513 1.00 21.11 H new ATOM 0 HD3 LYS A 80 -6.932 -5.550 9.212 1.00 21.11 H new ATOM 0 HE2 LYS A 80 -7.222 -6.628 11.415 1.00 44.41 H new ATOM 0 HE3 LYS A 80 -5.944 -7.401 10.498 1.00 44.41 H new ATOM 0 HZ1 LYS A 80 -5.387 -6.976 12.854 1.00 52.21 H new ATOM 0 HZ2 LYS A 80 -4.295 -6.257 11.770 1.00 52.21 H new ATOM 0 HZ3 LYS A 80 -5.464 -5.307 12.555 1.00 52.21 H new ATOM 1319 N ASP A 81 -1.986 -5.624 7.900 1.00 45.31 N ATOM 1320 CA ASP A 81 -1.329 -6.891 7.534 1.00 41.03 C ATOM 1321 C ASP A 81 -0.464 -6.768 6.264 1.00 1.14 C ATOM 1322 O ASP A 81 -0.861 -7.202 5.186 1.00 33.14 O ATOM 1323 CB ASP A 81 -2.363 -8.016 7.359 1.00 23.50 C ATOM 1324 CG ASP A 81 -3.209 -8.228 8.600 1.00 13.03 C ATOM 1325 OD1 ASP A 81 -2.632 -8.490 9.676 1.00 45.31 O ATOM 1326 OD2 ASP A 81 -4.450 -8.136 8.511 1.00 44.04 O ATOM 0 H ASP A 81 -1.679 -5.249 8.798 1.00 45.31 H new ATOM 0 HA ASP A 81 -0.662 -7.140 8.359 1.00 41.03 H new ATOM 0 HB2 ASP A 81 -3.013 -7.779 6.517 1.00 23.50 H new ATOM 0 HB3 ASP A 81 -1.847 -8.944 7.113 1.00 23.50 H new ATOM 1331 N VAL A 82 0.719 -6.168 6.394 1.00 62.34 N ATOM 1332 CA VAL A 82 1.651 -6.048 5.261 1.00 30.42 C ATOM 1333 C VAL A 82 3.098 -6.340 5.680 1.00 3.42 C ATOM 1334 O VAL A 82 3.454 -6.242 6.857 1.00 10.42 O ATOM 1335 CB VAL A 82 1.594 -4.642 4.608 1.00 21.30 C ATOM 1336 CG1 VAL A 82 0.234 -4.398 3.964 1.00 62.22 C ATOM 1337 CG2 VAL A 82 1.916 -3.549 5.628 1.00 14.43 C ATOM 0 H VAL A 82 1.058 -5.758 7.264 1.00 62.34 H new ATOM 0 HA VAL A 82 1.331 -6.792 4.532 1.00 30.42 H new ATOM 0 HB VAL A 82 2.352 -4.605 3.826 1.00 21.30 H new ATOM 0 HG11 VAL A 82 0.218 -3.406 3.513 1.00 62.22 H new ATOM 0 HG12 VAL A 82 0.056 -5.149 3.195 1.00 62.22 H new ATOM 0 HG13 VAL A 82 -0.545 -4.464 4.723 1.00 62.22 H new ATOM 0 HG21 VAL A 82 1.869 -2.574 5.143 1.00 14.43 H new ATOM 0 HG22 VAL A 82 1.191 -3.585 6.441 1.00 14.43 H new ATOM 0 HG23 VAL A 82 2.918 -3.708 6.027 1.00 14.43 H new ATOM 1347 N ASN A 83 3.928 -6.709 4.705 1.00 63.42 N ATOM 1348 CA ASN A 83 5.356 -6.936 4.946 1.00 65.31 C ATOM 1349 C ASN A 83 6.202 -5.825 4.312 1.00 34.34 C ATOM 1350 O ASN A 83 6.062 -5.515 3.126 1.00 74.44 O ATOM 1351 CB ASN A 83 5.795 -8.300 4.393 1.00 64.44 C ATOM 1352 CG ASN A 83 5.206 -9.475 5.156 1.00 62.22 C ATOM 1353 OD1 ASN A 83 5.004 -9.318 6.450 1.00 35.15 O flip ATOM 1354 ND2 ASN A 83 4.947 -10.530 4.590 1.00 11.24 N flip ATOM 0 H ASN A 83 3.637 -6.858 3.739 1.00 63.42 H new ATOM 0 HA ASN A 83 5.513 -6.926 6.025 1.00 65.31 H new ATOM 0 HB2 ASN A 83 5.501 -8.372 3.346 1.00 64.44 H new ATOM 0 HB3 ASN A 83 6.883 -8.364 4.424 1.00 64.44 H new ATOM 0 HD21 ASN A 83 5.113 -10.625 3.588 1.00 11.24 H new ATOM 0 HD22 ASN A 83 4.566 -11.313 5.121 1.00 11.24 H new ATOM 1361 N ILE A 84 7.080 -5.233 5.111 1.00 21.03 N ATOM 1362 CA ILE A 84 7.974 -4.181 4.630 1.00 73.35 C ATOM 1363 C ILE A 84 9.175 -4.801 3.900 1.00 75.41 C ATOM 1364 O ILE A 84 10.029 -5.423 4.522 1.00 51.50 O ATOM 1365 CB ILE A 84 8.474 -3.310 5.812 1.00 61.50 C ATOM 1366 CG1 ILE A 84 7.278 -2.700 6.566 1.00 13.10 C ATOM 1367 CG2 ILE A 84 9.426 -2.217 5.328 1.00 31.24 C ATOM 1368 CD1 ILE A 84 6.378 -1.843 5.698 1.00 50.24 C ATOM 0 H ILE A 84 7.194 -5.462 6.098 1.00 21.03 H new ATOM 0 HA ILE A 84 7.419 -3.549 3.937 1.00 73.35 H new ATOM 0 HB ILE A 84 9.028 -3.950 6.498 1.00 61.50 H new ATOM 0 HG12 ILE A 84 6.687 -3.505 7.002 1.00 13.10 H new ATOM 0 HG13 ILE A 84 7.652 -2.096 7.393 1.00 13.10 H new ATOM 0 HG21 ILE A 84 9.760 -1.623 6.178 1.00 31.24 H new ATOM 0 HG22 ILE A 84 10.289 -2.674 4.844 1.00 31.24 H new ATOM 0 HG23 ILE A 84 8.909 -1.573 4.616 1.00 31.24 H new ATOM 0 HD11 ILE A 84 5.559 -1.449 6.300 1.00 50.24 H new ATOM 0 HD12 ILE A 84 6.953 -1.016 5.283 1.00 50.24 H new ATOM 0 HD13 ILE A 84 5.973 -2.447 4.886 1.00 50.24 H new ATOM 1380 N ARG A 85 9.229 -4.642 2.578 1.00 53.02 N ATOM 1381 CA ARG A 85 10.286 -5.277 1.778 1.00 1.23 C ATOM 1382 C ARG A 85 11.631 -4.546 1.911 1.00 24.24 C ATOM 1383 O ARG A 85 12.643 -5.167 2.231 1.00 60.43 O ATOM 1384 CB ARG A 85 9.867 -5.371 0.307 1.00 32.24 C ATOM 1385 CG ARG A 85 8.601 -6.195 0.086 1.00 15.13 C ATOM 1386 CD ARG A 85 8.756 -7.643 0.549 1.00 43.31 C ATOM 1387 NE ARG A 85 9.768 -8.365 -0.218 1.00 51.51 N ATOM 1388 CZ ARG A 85 10.102 -9.608 -0.005 1.00 10.20 C ATOM 1389 NH1 ARG A 85 9.516 -10.304 0.919 1.00 33.21 N ATOM 1390 NH2 ARG A 85 11.004 -10.161 -0.743 1.00 53.42 N ATOM 0 H ARG A 85 8.564 -4.087 2.040 1.00 53.02 H new ATOM 0 HA ARG A 85 10.426 -6.285 2.170 1.00 1.23 H new ATOM 0 HB2 ARG A 85 9.709 -4.365 -0.083 1.00 32.24 H new ATOM 0 HB3 ARG A 85 10.682 -5.811 -0.267 1.00 32.24 H new ATOM 0 HG2 ARG A 85 7.772 -5.732 0.622 1.00 15.13 H new ATOM 0 HG3 ARG A 85 8.343 -6.181 -0.973 1.00 15.13 H new ATOM 0 HD2 ARG A 85 9.025 -7.658 1.605 1.00 43.31 H new ATOM 0 HD3 ARG A 85 7.799 -8.156 0.457 1.00 43.31 H new ATOM 0 HE ARG A 85 10.244 -7.865 -0.969 1.00 51.51 H new ATOM 0 HH11 ARG A 85 8.784 -9.881 1.490 1.00 33.21 H new ATOM 0 HH12 ARG A 85 9.787 -11.275 1.075 1.00 33.21 H new ATOM 0 HH21 ARG A 85 11.451 -9.627 -1.488 1.00 53.42 H new ATOM 0 HH22 ARG A 85 11.270 -11.132 -0.582 1.00 53.42 H new ATOM 1476 N LYS A 92 10.940 3.239 1.940 1.00 61.52 N ATOM 1477 CA LYS A 92 10.586 1.818 1.992 1.00 70.13 C ATOM 1478 C LYS A 92 9.246 1.514 1.301 1.00 22.12 C ATOM 1479 O LYS A 92 8.554 2.411 0.811 1.00 31.54 O ATOM 1480 CB LYS A 92 10.551 1.352 3.454 1.00 32.33 C ATOM 1481 CG LYS A 92 11.824 1.696 4.224 1.00 40.25 C ATOM 1482 CD LYS A 92 11.856 1.050 5.606 1.00 44.20 C ATOM 1483 CE LYS A 92 13.094 1.465 6.393 1.00 12.14 C ATOM 1484 NZ LYS A 92 14.348 1.232 5.627 1.00 53.34 N ATOM 0 HA LYS A 92 11.351 1.269 1.443 1.00 70.13 H new ATOM 0 HB2 LYS A 92 9.697 1.808 3.954 1.00 32.33 H new ATOM 0 HB3 LYS A 92 10.397 0.273 3.481 1.00 32.33 H new ATOM 0 HG2 LYS A 92 12.692 1.368 3.652 1.00 40.25 H new ATOM 0 HG3 LYS A 92 11.901 2.778 4.329 1.00 40.25 H new ATOM 0 HD2 LYS A 92 10.961 1.332 6.160 1.00 44.20 H new ATOM 0 HD3 LYS A 92 11.838 -0.035 5.501 1.00 44.20 H new ATOM 0 HE2 LYS A 92 13.020 2.521 6.654 1.00 12.14 H new ATOM 0 HE3 LYS A 92 13.132 0.907 7.329 1.00 12.14 H new ATOM 0 HZ1 LYS A 92 15.106 0.947 6.280 1.00 53.34 H new ATOM 0 HZ2 LYS A 92 14.192 0.479 4.927 1.00 53.34 H new ATOM 0 HZ3 LYS A 92 14.624 2.107 5.138 1.00 53.34 H new ATOM 1498 N GLU A 93 8.872 0.239 1.298 1.00 72.33 N ATOM 1499 CA GLU A 93 7.694 -0.220 0.560 1.00 3.20 C ATOM 1500 C GLU A 93 6.929 -1.302 1.334 1.00 64.40 C ATOM 1501 O GLU A 93 7.531 -2.163 1.986 1.00 41.34 O ATOM 1502 CB GLU A 93 8.133 -0.759 -0.805 1.00 5.44 C ATOM 1503 CG GLU A 93 9.098 -1.936 -0.710 1.00 25.04 C ATOM 1504 CD GLU A 93 9.768 -2.260 -2.031 1.00 11.04 C ATOM 1505 OE1 GLU A 93 9.051 -2.499 -3.025 1.00 50.30 O ATOM 1506 OE2 GLU A 93 11.015 -2.265 -2.086 1.00 74.22 O ATOM 0 H GLU A 93 9.367 -0.499 1.799 1.00 72.33 H new ATOM 0 HA GLU A 93 7.020 0.626 0.426 1.00 3.20 H new ATOM 0 HB2 GLU A 93 7.251 -1.066 -1.367 1.00 5.44 H new ATOM 0 HB3 GLU A 93 8.606 0.044 -1.369 1.00 5.44 H new ATOM 0 HG2 GLU A 93 9.863 -1.713 0.034 1.00 25.04 H new ATOM 0 HG3 GLU A 93 8.557 -2.815 -0.358 1.00 25.04 H new ATOM 1513 N ALA A 94 5.603 -1.255 1.251 1.00 32.02 N ATOM 1514 CA ALA A 94 4.739 -2.228 1.928 1.00 55.25 C ATOM 1515 C ALA A 94 3.922 -3.044 0.916 1.00 22.42 C ATOM 1516 O ALA A 94 3.056 -2.507 0.226 1.00 24.04 O ATOM 1517 CB ALA A 94 3.814 -1.516 2.910 1.00 71.22 C ATOM 0 H ALA A 94 5.096 -0.549 0.718 1.00 32.02 H new ATOM 0 HA ALA A 94 5.375 -2.921 2.480 1.00 55.25 H new ATOM 0 HB1 ALA A 94 3.177 -2.248 3.407 1.00 71.22 H new ATOM 0 HB2 ALA A 94 4.410 -0.989 3.655 1.00 71.22 H new ATOM 0 HB3 ALA A 94 3.192 -0.801 2.371 1.00 71.22 H new ATOM 1523 N HIS A 95 4.210 -4.338 0.825 1.00 43.10 N ATOM 1524 CA HIS A 95 3.496 -5.229 -0.096 1.00 55.10 C ATOM 1525 C HIS A 95 2.313 -5.911 0.602 1.00 64.43 C ATOM 1526 O HIS A 95 2.452 -6.453 1.703 1.00 52.34 O ATOM 1527 CB HIS A 95 4.460 -6.271 -0.671 1.00 40.44 C ATOM 1528 CG HIS A 95 5.403 -5.713 -1.695 1.00 53.10 C ATOM 1529 ND1 HIS A 95 5.449 -6.213 -2.972 1.00 12.23 N ATOM 1530 CD2 HIS A 95 6.308 -4.708 -1.583 1.00 41.10 C ATOM 1531 CE1 HIS A 95 6.376 -5.513 -3.605 1.00 0.02 C ATOM 1532 NE2 HIS A 95 6.922 -4.592 -2.804 1.00 33.22 N ATOM 0 H HIS A 95 4.934 -4.798 1.377 1.00 43.10 H new ATOM 0 HA HIS A 95 3.097 -4.630 -0.915 1.00 55.10 H new ATOM 0 HB2 HIS A 95 5.038 -6.708 0.143 1.00 40.44 H new ATOM 0 HB3 HIS A 95 3.883 -7.078 -1.122 1.00 40.44 H new ATOM 0 HD2 HIS A 95 6.506 -4.114 -0.703 1.00 41.10 H new ATOM 0 HE1 HIS A 95 6.656 -5.666 -4.637 1.00 0.02 H new ATOM 0 HE2 HIS A 95 7.656 -3.929 -3.054 1.00 33.22 H new ATOM 1540 N LEU A 96 1.151 -5.871 -0.045 1.00 63.52 N ATOM 1541 CA LEU A 96 -0.087 -6.405 0.534 1.00 61.42 C ATOM 1542 C LEU A 96 -0.277 -7.901 0.228 1.00 71.30 C ATOM 1543 O LEU A 96 0.417 -8.483 -0.608 1.00 62.42 O ATOM 1544 CB LEU A 96 -1.301 -5.609 0.027 1.00 2.31 C ATOM 1545 CG LEU A 96 -1.529 -4.243 0.700 1.00 2.42 C ATOM 1546 CD1 LEU A 96 -0.423 -3.255 0.336 1.00 51.45 C ATOM 1547 CD2 LEU A 96 -2.901 -3.682 0.336 1.00 60.42 C ATOM 0 H LEU A 96 1.037 -5.472 -0.977 1.00 63.52 H new ATOM 0 HA LEU A 96 -0.006 -6.299 1.616 1.00 61.42 H new ATOM 0 HB2 LEU A 96 -1.187 -5.451 -1.045 1.00 2.31 H new ATOM 0 HB3 LEU A 96 -2.195 -6.216 0.167 1.00 2.31 H new ATOM 0 HG LEU A 96 -1.498 -4.393 1.779 1.00 2.42 H new ATOM 0 HD11 LEU A 96 -0.612 -2.300 0.826 1.00 51.45 H new ATOM 0 HD12 LEU A 96 0.539 -3.648 0.666 1.00 51.45 H new ATOM 0 HD13 LEU A 96 -0.405 -3.111 -0.744 1.00 51.45 H new ATOM 0 HD21 LEU A 96 -3.040 -2.717 0.823 1.00 60.42 H new ATOM 0 HD22 LEU A 96 -2.968 -3.557 -0.745 1.00 60.42 H new ATOM 0 HD23 LEU A 96 -3.676 -4.372 0.670 1.00 60.42 H new ATOM 1559 N MET A 97 -1.234 -8.508 0.927 1.00 25.12 N ATOM 1560 CA MET A 97 -1.541 -9.937 0.795 1.00 72.24 C ATOM 1561 C MET A 97 -3.034 -10.134 0.465 1.00 3.51 C ATOM 1562 O MET A 97 -3.840 -9.234 0.693 1.00 43.43 O ATOM 1563 CB MET A 97 -1.212 -10.645 2.122 1.00 51.31 C ATOM 1564 CG MET A 97 0.165 -10.308 2.677 1.00 72.32 C ATOM 1565 SD MET A 97 0.432 -10.986 4.326 1.00 64.13 S ATOM 1566 CE MET A 97 1.825 -9.998 4.860 1.00 4.23 C ATOM 0 H MET A 97 -1.823 -8.023 1.605 1.00 25.12 H new ATOM 0 HA MET A 97 -0.944 -10.360 -0.013 1.00 72.24 H new ATOM 0 HB2 MET A 97 -1.966 -10.377 2.862 1.00 51.31 H new ATOM 0 HB3 MET A 97 -1.279 -11.723 1.974 1.00 51.31 H new ATOM 0 HG2 MET A 97 0.929 -10.693 2.002 1.00 72.32 H new ATOM 0 HG3 MET A 97 0.285 -9.225 2.710 1.00 72.32 H new ATOM 0 HE1 MET A 97 2.428 -10.570 5.565 1.00 4.23 H new ATOM 0 HE2 MET A 97 2.434 -9.730 3.996 1.00 4.23 H new ATOM 0 HE3 MET A 97 1.463 -9.091 5.344 1.00 4.23 H new ATOM 1576 N PRO A 98 -3.438 -11.311 -0.058 1.00 23.11 N ATOM 1577 CA PRO A 98 -4.863 -11.610 -0.326 1.00 64.02 C ATOM 1578 C PRO A 98 -5.791 -11.351 0.884 1.00 63.40 C ATOM 1579 O PRO A 98 -6.988 -11.113 0.722 1.00 42.43 O ATOM 1580 CB PRO A 98 -4.842 -13.105 -0.677 1.00 21.43 C ATOM 1581 CG PRO A 98 -3.474 -13.345 -1.224 1.00 41.53 C ATOM 1582 CD PRO A 98 -2.555 -12.425 -0.459 1.00 33.13 C ATOM 0 HA PRO A 98 -5.264 -10.966 -1.109 1.00 64.02 H new ATOM 0 HB2 PRO A 98 -5.031 -13.721 0.202 1.00 21.43 H new ATOM 0 HB3 PRO A 98 -5.611 -13.351 -1.410 1.00 21.43 H new ATOM 0 HG2 PRO A 98 -3.179 -14.387 -1.096 1.00 41.53 H new ATOM 0 HG3 PRO A 98 -3.438 -13.133 -2.293 1.00 41.53 H new ATOM 0 HD2 PRO A 98 -2.118 -12.923 0.407 1.00 33.13 H new ATOM 0 HD3 PRO A 98 -1.728 -12.078 -1.078 1.00 33.13 H new ATOM 1590 N ARG A 99 -5.222 -11.391 2.094 1.00 4.23 N ATOM 1591 CA ARG A 99 -5.989 -11.200 3.338 1.00 0.31 C ATOM 1592 C ARG A 99 -5.871 -9.758 3.883 1.00 15.12 C ATOM 1593 O ARG A 99 -6.420 -9.435 4.944 1.00 72.13 O ATOM 1594 CB ARG A 99 -5.489 -12.193 4.402 1.00 74.05 C ATOM 1595 CG ARG A 99 -5.662 -13.662 4.017 1.00 2.04 C ATOM 1596 CD ARG A 99 -5.059 -14.600 5.060 1.00 21.21 C ATOM 1597 NE ARG A 99 -5.610 -14.368 6.391 1.00 10.33 N ATOM 1598 CZ ARG A 99 -5.168 -14.933 7.483 1.00 3.11 C ATOM 1599 NH1 ARG A 99 -4.216 -15.813 7.442 1.00 50.04 N ATOM 1600 NH2 ARG A 99 -5.701 -14.628 8.621 1.00 70.30 N ATOM 0 H ARG A 99 -4.226 -11.555 2.242 1.00 4.23 H new ATOM 0 HA ARG A 99 -7.040 -11.380 3.110 1.00 0.31 H new ATOM 0 HB2 ARG A 99 -4.433 -12.001 4.595 1.00 74.05 H new ATOM 0 HB3 ARG A 99 -6.022 -12.008 5.335 1.00 74.05 H new ATOM 0 HG2 ARG A 99 -6.723 -13.884 3.900 1.00 2.04 H new ATOM 0 HG3 ARG A 99 -5.190 -13.842 3.051 1.00 2.04 H new ATOM 0 HD2 ARG A 99 -5.243 -15.634 4.767 1.00 21.21 H new ATOM 0 HD3 ARG A 99 -3.978 -14.464 5.087 1.00 21.21 H new ATOM 0 HE ARG A 99 -6.394 -13.721 6.475 1.00 10.33 H new ATOM 0 HH11 ARG A 99 -3.801 -16.074 6.548 1.00 50.04 H new ATOM 0 HH12 ARG A 99 -3.883 -16.244 8.304 1.00 50.04 H new ATOM 0 HH21 ARG A 99 -6.462 -13.950 8.662 1.00 70.30 H new ATOM 0 HH22 ARG A 99 -5.361 -15.066 9.477 1.00 70.30 H new ATOM 1614 N SER A 100 -5.160 -8.899 3.157 1.00 1.02 N ATOM 1615 CA SER A 100 -4.891 -7.522 3.608 1.00 43.12 C ATOM 1616 C SER A 100 -6.027 -6.561 3.242 1.00 52.24 C ATOM 1617 O SER A 100 -6.527 -6.563 2.114 1.00 23.35 O ATOM 1618 CB SER A 100 -3.582 -7.004 3.003 1.00 72.11 C ATOM 1619 OG SER A 100 -2.515 -7.903 3.247 1.00 63.53 O ATOM 0 H SER A 100 -4.755 -9.127 2.249 1.00 1.02 H new ATOM 0 HA SER A 100 -4.811 -7.558 4.694 1.00 43.12 H new ATOM 0 HB2 SER A 100 -3.705 -6.864 1.929 1.00 72.11 H new ATOM 0 HB3 SER A 100 -3.343 -6.028 3.426 1.00 72.11 H new ATOM 0 HG SER A 100 -2.198 -7.792 4.168 1.00 63.53 H new ATOM 1625 N THR A 101 -6.413 -5.725 4.201 1.00 43.21 N ATOM 1626 CA THR A 101 -7.484 -4.738 4.002 1.00 42.23 C ATOM 1627 C THR A 101 -7.023 -3.331 4.405 1.00 4.00 C ATOM 1628 O THR A 101 -6.117 -3.175 5.225 1.00 65.34 O ATOM 1629 CB THR A 101 -8.753 -5.100 4.816 1.00 13.24 C ATOM 1630 OG1 THR A 101 -8.429 -5.230 6.212 1.00 61.54 O ATOM 1631 CG2 THR A 101 -9.377 -6.401 4.317 1.00 15.12 C ATOM 0 H THR A 101 -6.000 -5.707 5.133 1.00 43.21 H new ATOM 0 HA THR A 101 -7.726 -4.752 2.939 1.00 42.23 H new ATOM 0 HB THR A 101 -9.475 -4.294 4.682 1.00 13.24 H new ATOM 0 HG1 THR A 101 -9.238 -5.457 6.716 1.00 61.54 H new ATOM 0 HG21 THR A 101 -10.265 -6.629 4.907 1.00 15.12 H new ATOM 0 HG22 THR A 101 -9.656 -6.292 3.269 1.00 15.12 H new ATOM 0 HG23 THR A 101 -8.656 -7.212 4.418 1.00 15.12 H new ATOM 1639 N VAL A 102 -7.643 -2.304 3.822 1.00 2.11 N ATOM 1640 CA VAL A 102 -7.283 -0.912 4.127 1.00 54.10 C ATOM 1641 C VAL A 102 -8.468 -0.137 4.729 1.00 64.11 C ATOM 1642 O VAL A 102 -9.600 -0.236 4.249 1.00 63.21 O ATOM 1643 CB VAL A 102 -6.771 -0.161 2.865 1.00 41.44 C ATOM 1644 CG1 VAL A 102 -5.548 -0.862 2.277 1.00 61.14 C ATOM 1645 CG2 VAL A 102 -7.875 -0.025 1.813 1.00 52.15 C ATOM 0 H VAL A 102 -8.394 -2.405 3.139 1.00 2.11 H new ATOM 0 HA VAL A 102 -6.480 -0.958 4.862 1.00 54.10 H new ATOM 0 HB VAL A 102 -6.477 0.843 3.172 1.00 41.44 H new ATOM 0 HG11 VAL A 102 -5.207 -0.320 1.395 1.00 61.14 H new ATOM 0 HG12 VAL A 102 -4.750 -0.886 3.020 1.00 61.14 H new ATOM 0 HG13 VAL A 102 -5.813 -1.881 1.996 1.00 61.14 H new ATOM 0 HG21 VAL A 102 -7.486 0.504 0.943 1.00 52.15 H new ATOM 0 HG22 VAL A 102 -8.215 -1.016 1.512 1.00 52.15 H new ATOM 0 HG23 VAL A 102 -8.711 0.534 2.233 1.00 52.15 H new ATOM 1655 N GLU A 103 -8.197 0.626 5.782 1.00 54.21 N ATOM 1656 CA GLU A 103 -9.206 1.498 6.401 1.00 0.22 C ATOM 1657 C GLU A 103 -8.804 2.970 6.227 1.00 72.33 C ATOM 1658 O GLU A 103 -7.632 3.316 6.375 1.00 2.11 O ATOM 1659 CB GLU A 103 -9.350 1.163 7.896 1.00 1.41 C ATOM 1660 CG GLU A 103 -8.070 1.385 8.702 1.00 34.01 C ATOM 1661 CD GLU A 103 -8.205 1.001 10.168 1.00 13.12 C ATOM 1662 OE1 GLU A 103 -9.041 1.603 10.874 1.00 42.31 O ATOM 1663 OE2 GLU A 103 -7.460 0.110 10.630 1.00 74.35 O ATOM 0 H GLU A 103 -7.282 0.663 6.232 1.00 54.21 H new ATOM 0 HA GLU A 103 -10.165 1.332 5.910 1.00 0.22 H new ATOM 0 HB2 GLU A 103 -10.147 1.774 8.321 1.00 1.41 H new ATOM 0 HB3 GLU A 103 -9.657 0.122 7.998 1.00 1.41 H new ATOM 0 HG2 GLU A 103 -7.263 0.805 8.255 1.00 34.01 H new ATOM 0 HG3 GLU A 103 -7.784 2.435 8.634 1.00 34.01 H new ATOM 1670 N VAL A 104 -9.755 3.838 5.896 1.00 74.55 N ATOM 1671 CA VAL A 104 -9.433 5.260 5.720 1.00 41.24 C ATOM 1672 C VAL A 104 -9.448 6.017 7.062 1.00 42.01 C ATOM 1673 O VAL A 104 -10.415 5.954 7.827 1.00 2.14 O ATOM 1674 CB VAL A 104 -10.371 5.963 4.700 1.00 30.20 C ATOM 1675 CG1 VAL A 104 -10.334 5.249 3.349 1.00 54.52 C ATOM 1676 CG2 VAL A 104 -11.799 6.061 5.225 1.00 10.43 C ATOM 0 H VAL A 104 -10.734 3.595 5.746 1.00 74.55 H new ATOM 0 HA VAL A 104 -8.422 5.290 5.314 1.00 41.24 H new ATOM 0 HB VAL A 104 -10.004 6.980 4.561 1.00 30.20 H new ATOM 0 HG11 VAL A 104 -10.998 5.758 2.650 1.00 54.52 H new ATOM 0 HG12 VAL A 104 -9.317 5.262 2.958 1.00 54.52 H new ATOM 0 HG13 VAL A 104 -10.661 4.217 3.474 1.00 54.52 H new ATOM 0 HG21 VAL A 104 -12.426 6.558 4.485 1.00 10.43 H new ATOM 0 HG22 VAL A 104 -12.186 5.060 5.415 1.00 10.43 H new ATOM 0 HG23 VAL A 104 -11.807 6.635 6.152 1.00 10.43 H new ATOM 1686 N LEU A 105 -8.352 6.715 7.348 1.00 50.21 N ATOM 1687 CA LEU A 105 -8.242 7.544 8.550 1.00 22.23 C ATOM 1688 C LEU A 105 -8.401 9.028 8.196 1.00 51.04 C ATOM 1689 O LEU A 105 -8.518 9.367 7.019 1.00 5.43 O ATOM 1690 CB LEU A 105 -6.899 7.302 9.253 1.00 75.32 C ATOM 1691 CG LEU A 105 -6.646 5.854 9.704 1.00 22.15 C ATOM 1692 CD1 LEU A 105 -5.316 5.750 10.441 1.00 53.23 C ATOM 1693 CD2 LEU A 105 -7.789 5.346 10.584 1.00 22.03 C ATOM 0 H LEU A 105 -7.519 6.724 6.759 1.00 50.21 H new ATOM 0 HA LEU A 105 -9.043 7.263 9.233 1.00 22.23 H new ATOM 0 HB2 LEU A 105 -6.096 7.601 8.580 1.00 75.32 H new ATOM 0 HB3 LEU A 105 -6.842 7.952 10.126 1.00 75.32 H new ATOM 0 HG LEU A 105 -6.600 5.225 8.815 1.00 22.15 H new ATOM 0 HD11 LEU A 105 -5.153 4.719 10.753 1.00 53.23 H new ATOM 0 HD12 LEU A 105 -4.508 6.061 9.779 1.00 53.23 H new ATOM 0 HD13 LEU A 105 -5.335 6.396 11.319 1.00 53.23 H new ATOM 0 HD21 LEU A 105 -7.585 4.320 10.889 1.00 22.03 H new ATOM 0 HD22 LEU A 105 -7.875 5.977 11.468 1.00 22.03 H new ATOM 0 HD23 LEU A 105 -8.723 5.379 10.022 1.00 22.03 H new