USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 508 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 63 GLN : amide:sc= -0.0484 X(o=0.049,f=-0.045) USER MOD Set 1.2: A 67 SER OG : rot 86:sc= 0.0971 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00615 USER MOD Single : A 13 LYS NZ :NH3+ -125:sc= 0.714 (180deg=-0.0327) USER MOD Single : A 16 CYS SG : rot 100:sc= -0.594 USER MOD Single : A 19 TYR OH : rot -165:sc= 0.222 USER MOD Single : A 35 HIS : no HE2:sc= 0.0826 K(o=0.083,f=-0.72) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -26:sc= 0.4 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.185 USER MOD ----------------------------------------------------------------- ATOM 117 N ALA A 10 17.714 2.180 -6.787 1.00 23.23 N ATOM 118 CA ALA A 10 18.566 2.760 -7.810 1.00 30.32 C ATOM 119 C ALA A 10 19.046 1.731 -8.826 1.00 11.14 C ATOM 120 O ALA A 10 19.355 2.082 -9.958 1.00 33.11 O ATOM 121 CB ALA A 10 19.760 3.444 -7.162 1.00 55.12 C ATOM 0 HA ALA A 10 17.966 3.491 -8.352 1.00 30.32 H new ATOM 0 HB1 ALA A 10 20.395 3.877 -7.935 1.00 55.12 H new ATOM 0 HB2 ALA A 10 19.410 4.233 -6.496 1.00 55.12 H new ATOM 0 HB3 ALA A 10 20.332 2.713 -6.590 1.00 55.12 H new ATOM 127 N THR A 11 19.138 0.471 -8.426 1.00 14.14 N ATOM 128 CA THR A 11 19.584 -0.585 -9.328 1.00 74.25 C ATOM 129 C THR A 11 18.515 -0.938 -10.367 1.00 43.21 C ATOM 130 O THR A 11 18.821 -1.353 -11.462 1.00 11.31 O ATOM 131 CB THR A 11 19.923 -1.869 -8.566 1.00 13.52 C ATOM 132 OG1 THR A 11 20.459 -1.512 -7.282 1.00 2.10 O ATOM 133 CG2 THR A 11 20.973 -2.660 -9.312 1.00 31.23 C ATOM 0 H THR A 11 18.910 0.154 -7.484 1.00 14.14 H new ATOM 0 HA THR A 11 20.472 -0.193 -9.825 1.00 74.25 H new ATOM 0 HB THR A 11 19.020 -2.471 -8.462 1.00 13.52 H new ATOM 0 HG1 THR A 11 20.679 -2.325 -6.782 1.00 2.10 H new ATOM 0 HG21 THR A 11 21.204 -3.570 -8.759 1.00 31.23 H new ATOM 0 HG22 THR A 11 20.597 -2.922 -10.301 1.00 31.23 H new ATOM 0 HG23 THR A 11 21.876 -2.059 -9.415 1.00 31.23 H new ATOM 141 N GLU A 12 17.245 -0.771 -10.025 1.00 63.14 N ATOM 142 CA GLU A 12 16.163 -1.167 -10.936 1.00 33.52 C ATOM 143 C GLU A 12 16.228 -0.409 -12.239 1.00 24.02 C ATOM 144 O GLU A 12 15.902 -0.963 -13.282 1.00 3.40 O ATOM 145 CB GLU A 12 14.824 -0.920 -10.273 1.00 54.44 C ATOM 146 CG GLU A 12 14.611 -1.828 -9.093 1.00 50.14 C ATOM 147 CD GLU A 12 13.419 -1.471 -8.248 1.00 73.14 C ATOM 148 OE1 GLU A 12 13.064 -0.265 -8.175 1.00 21.30 O ATOM 149 OE2 GLU A 12 12.928 -2.348 -7.565 1.00 11.23 O ATOM 0 H GLU A 12 16.934 -0.371 -9.139 1.00 63.14 H new ATOM 0 HA GLU A 12 16.281 -2.228 -11.157 1.00 33.52 H new ATOM 0 HB2 GLU A 12 14.765 0.119 -9.948 1.00 54.44 H new ATOM 0 HB3 GLU A 12 14.025 -1.073 -10.999 1.00 54.44 H new ATOM 0 HG2 GLU A 12 14.495 -2.851 -9.452 1.00 50.14 H new ATOM 0 HG3 GLU A 12 15.504 -1.809 -8.468 1.00 50.14 H new ATOM 156 N LYS A 13 16.725 0.842 -12.191 1.00 34.12 N ATOM 157 CA LYS A 13 16.833 1.620 -13.411 1.00 12.41 C ATOM 158 C LYS A 13 17.867 1.049 -14.365 1.00 21.14 C ATOM 159 O LYS A 13 17.757 1.220 -15.571 1.00 35.43 O ATOM 160 CB LYS A 13 17.131 3.074 -13.048 1.00 70.21 C ATOM 161 CG LYS A 13 18.627 3.400 -12.915 1.00 0.41 C ATOM 162 CD LYS A 13 18.799 4.732 -12.182 1.00 11.02 C ATOM 163 CE LYS A 13 20.282 5.124 -12.081 1.00 11.30 C ATOM 164 NZ LYS A 13 21.068 4.162 -11.216 1.00 51.25 N ATOM 0 H LYS A 13 17.045 1.312 -11.344 1.00 34.12 H new ATOM 0 HA LYS A 13 15.883 1.573 -13.944 1.00 12.41 H new ATOM 0 HB2 LYS A 13 16.696 3.722 -13.809 1.00 70.21 H new ATOM 0 HB3 LYS A 13 16.635 3.310 -12.107 1.00 70.21 H new ATOM 0 HG2 LYS A 13 19.136 2.605 -12.370 1.00 0.41 H new ATOM 0 HG3 LYS A 13 19.087 3.454 -13.902 1.00 0.41 H new ATOM 0 HD2 LYS A 13 18.249 5.513 -12.707 1.00 11.02 H new ATOM 0 HD3 LYS A 13 18.371 4.658 -11.182 1.00 11.02 H new ATOM 0 HE2 LYS A 13 20.718 5.152 -13.080 1.00 11.30 H new ATOM 0 HE3 LYS A 13 20.363 6.130 -11.670 1.00 11.30 H new ATOM 0 HZ1 LYS A 13 21.553 4.690 -10.462 1.00 51.25 H new ATOM 0 HZ2 LYS A 13 20.420 3.468 -10.792 1.00 51.25 H new ATOM 0 HZ3 LYS A 13 21.772 3.667 -11.799 1.00 51.25 H new ATOM 178 N VAL A 14 18.915 0.407 -13.847 1.00 54.41 N ATOM 179 CA VAL A 14 19.965 -0.127 -14.704 1.00 3.31 C ATOM 180 C VAL A 14 19.439 -1.422 -15.332 1.00 74.52 C ATOM 181 O VAL A 14 19.683 -1.700 -16.492 1.00 15.50 O ATOM 182 CB VAL A 14 21.344 -0.355 -13.953 1.00 4.03 C ATOM 183 CG1 VAL A 14 21.547 0.649 -12.800 1.00 72.25 C ATOM 184 CG2 VAL A 14 21.478 -1.753 -13.375 1.00 31.34 C ATOM 0 H VAL A 14 19.056 0.247 -12.849 1.00 54.41 H new ATOM 0 HA VAL A 14 20.195 0.609 -15.475 1.00 3.31 H new ATOM 0 HB VAL A 14 22.104 -0.208 -14.720 1.00 4.03 H new ATOM 0 HG11 VAL A 14 22.503 0.456 -12.314 1.00 72.25 H new ATOM 0 HG12 VAL A 14 21.539 1.664 -13.196 1.00 72.25 H new ATOM 0 HG13 VAL A 14 20.742 0.537 -12.074 1.00 72.25 H new ATOM 0 HG21 VAL A 14 22.441 -1.849 -12.874 1.00 31.34 H new ATOM 0 HG22 VAL A 14 20.677 -1.928 -12.657 1.00 31.34 H new ATOM 0 HG23 VAL A 14 21.413 -2.487 -14.178 1.00 31.34 H new ATOM 194 N LEU A 15 18.652 -2.170 -14.578 1.00 53.11 N ATOM 195 CA LEU A 15 18.128 -3.448 -15.033 1.00 2.20 C ATOM 196 C LEU A 15 17.052 -3.164 -16.089 1.00 0.04 C ATOM 197 O LEU A 15 17.026 -3.808 -17.123 1.00 34.33 O ATOM 198 CB LEU A 15 17.531 -4.185 -13.840 1.00 12.34 C ATOM 199 CG LEU A 15 18.559 -4.541 -12.762 1.00 11.45 C ATOM 200 CD1 LEU A 15 17.882 -4.792 -11.469 1.00 2.13 C ATOM 201 CD2 LEU A 15 19.370 -5.752 -13.170 1.00 33.04 C ATOM 0 H LEU A 15 18.359 -1.911 -13.636 1.00 53.11 H new ATOM 0 HA LEU A 15 18.911 -4.068 -15.468 1.00 2.20 H new ATOM 0 HB2 LEU A 15 16.750 -3.568 -13.396 1.00 12.34 H new ATOM 0 HB3 LEU A 15 17.053 -5.100 -14.191 1.00 12.34 H new ATOM 0 HG LEU A 15 19.238 -3.696 -12.647 1.00 11.45 H new ATOM 0 HD11 LEU A 15 18.625 -5.044 -10.712 1.00 2.13 H new ATOM 0 HD12 LEU A 15 17.340 -3.897 -11.162 1.00 2.13 H new ATOM 0 HD13 LEU A 15 17.182 -5.620 -11.580 1.00 2.13 H new ATOM 0 HD21 LEU A 15 20.093 -5.986 -12.389 1.00 33.04 H new ATOM 0 HD22 LEU A 15 18.705 -6.603 -13.315 1.00 33.04 H new ATOM 0 HD23 LEU A 15 19.897 -5.540 -14.101 1.00 33.04 H new ATOM 213 N CYS A 16 16.222 -2.155 -15.841 1.00 61.12 N ATOM 214 CA CYS A 16 15.241 -1.722 -16.803 1.00 13.11 C ATOM 215 C CYS A 16 15.864 -1.318 -18.135 1.00 24.40 C ATOM 216 O CYS A 16 15.259 -1.536 -19.217 1.00 35.33 O ATOM 217 CB CYS A 16 14.508 -0.492 -16.183 1.00 70.12 C ATOM 218 SG CYS A 16 13.363 0.303 -17.292 1.00 32.23 S ATOM 0 H CYS A 16 16.218 -1.624 -14.970 1.00 61.12 H new ATOM 0 HA CYS A 16 14.561 -2.548 -17.013 1.00 13.11 H new ATOM 0 HB2 CYS A 16 13.970 -0.814 -15.291 1.00 70.12 H new ATOM 0 HB3 CYS A 16 15.252 0.237 -15.861 1.00 70.12 H new ATOM 0 HG CYS A 16 12.153 -0.085 -17.018 1.00 32.23 H new ATOM 224 N ALA A 17 17.026 -0.711 -18.057 1.00 1.34 N ATOM 225 CA ALA A 17 17.723 -0.279 -19.272 1.00 35.55 C ATOM 226 C ALA A 17 18.239 -1.454 -20.046 1.00 61.25 C ATOM 227 O ALA A 17 18.076 -1.543 -21.221 1.00 3.21 O ATOM 228 CB ALA A 17 18.903 0.679 -18.881 1.00 13.24 C ATOM 0 H ALA A 17 17.512 -0.502 -17.185 1.00 1.34 H new ATOM 0 HA ALA A 17 17.018 0.253 -19.910 1.00 35.55 H new ATOM 0 HB1 ALA A 17 19.423 1.002 -19.783 1.00 13.24 H new ATOM 0 HB2 ALA A 17 18.507 1.550 -18.359 1.00 13.24 H new ATOM 0 HB3 ALA A 17 19.599 0.151 -18.229 1.00 13.24 H new ATOM 234 N LEU A 18 18.823 -2.356 -19.325 1.00 54.14 N ATOM 235 CA LEU A 18 19.392 -3.536 -19.882 1.00 72.12 C ATOM 236 C LEU A 18 18.311 -4.445 -20.555 1.00 23.03 C ATOM 237 O LEU A 18 18.511 -5.047 -21.624 1.00 42.22 O ATOM 238 CB LEU A 18 20.115 -4.338 -18.751 1.00 51.11 C ATOM 239 CG LEU A 18 21.639 -4.378 -18.703 1.00 31.42 C ATOM 240 CD1 LEU A 18 22.384 -4.182 -20.024 1.00 32.50 C ATOM 241 CD2 LEU A 18 22.170 -3.422 -17.679 1.00 71.32 C ATOM 0 H LEU A 18 18.919 -2.290 -18.312 1.00 54.14 H new ATOM 0 HA LEU A 18 20.101 -3.237 -20.654 1.00 72.12 H new ATOM 0 HB2 LEU A 18 19.770 -3.937 -17.798 1.00 51.11 H new ATOM 0 HB3 LEU A 18 19.765 -5.369 -18.809 1.00 51.11 H new ATOM 0 HG LEU A 18 21.845 -5.412 -18.427 1.00 31.42 H new ATOM 0 HD11 LEU A 18 23.458 -4.233 -19.847 1.00 32.50 H new ATOM 0 HD12 LEU A 18 22.094 -4.965 -20.725 1.00 32.50 H new ATOM 0 HD13 LEU A 18 22.131 -3.208 -20.443 1.00 32.50 H new ATOM 0 HD21 LEU A 18 23.259 -3.471 -17.666 1.00 71.32 H new ATOM 0 HD22 LEU A 18 21.855 -2.409 -17.929 1.00 71.32 H new ATOM 0 HD23 LEU A 18 21.783 -3.690 -16.696 1.00 71.32 H new ATOM 253 N TYR A 19 17.129 -4.454 -19.975 1.00 60.42 N ATOM 254 CA TYR A 19 15.990 -5.169 -20.536 1.00 31.44 C ATOM 255 C TYR A 19 15.630 -4.490 -21.863 1.00 14.54 C ATOM 256 O TYR A 19 15.444 -5.162 -22.873 1.00 3.31 O ATOM 257 CB TYR A 19 14.777 -5.118 -19.596 1.00 10.10 C ATOM 258 CG TYR A 19 14.725 -6.148 -18.471 1.00 54.34 C ATOM 259 CD1 TYR A 19 15.891 -6.560 -17.765 1.00 12.25 C ATOM 260 CD2 TYR A 19 13.484 -6.694 -18.073 1.00 44.03 C ATOM 261 CE1 TYR A 19 15.791 -7.492 -16.696 1.00 25.10 C ATOM 262 CE2 TYR A 19 13.398 -7.627 -17.016 1.00 75.44 C ATOM 263 CZ TYR A 19 14.547 -8.022 -16.346 1.00 3.22 C ATOM 264 OH TYR A 19 14.460 -8.914 -15.328 1.00 75.34 O ATOM 0 H TYR A 19 16.926 -3.968 -19.102 1.00 60.42 H new ATOM 0 HA TYR A 19 16.254 -6.217 -20.679 1.00 31.44 H new ATOM 0 HB2 TYR A 19 14.738 -4.125 -19.148 1.00 10.10 H new ATOM 0 HB3 TYR A 19 13.876 -5.231 -20.200 1.00 10.10 H new ATOM 0 HD1 TYR A 19 16.856 -6.163 -18.043 1.00 12.25 H new ATOM 0 HD2 TYR A 19 12.584 -6.392 -18.587 1.00 44.03 H new ATOM 0 HE1 TYR A 19 16.677 -7.790 -16.155 1.00 25.10 H new ATOM 0 HE2 TYR A 19 12.439 -8.033 -16.730 1.00 75.44 H new ATOM 0 HH TYR A 19 13.590 -9.363 -15.360 1.00 75.34 H new ATOM 274 N ALA A 20 15.534 -3.165 -21.866 1.00 51.32 N ATOM 275 CA ALA A 20 15.146 -2.428 -23.068 1.00 72.10 C ATOM 276 C ALA A 20 16.137 -2.600 -24.235 1.00 41.31 C ATOM 277 O ALA A 20 15.712 -2.697 -25.378 1.00 43.25 O ATOM 278 CB ALA A 20 14.981 -0.935 -22.729 1.00 60.21 C ATOM 0 H ALA A 20 15.719 -2.578 -21.052 1.00 51.32 H new ATOM 0 HA ALA A 20 14.198 -2.847 -23.405 1.00 72.10 H new ATOM 0 HB1 ALA A 20 14.692 -0.388 -23.626 1.00 60.21 H new ATOM 0 HB2 ALA A 20 14.209 -0.818 -21.968 1.00 60.21 H new ATOM 0 HB3 ALA A 20 15.925 -0.541 -22.352 1.00 60.21 H new ATOM 284 N GLU A 21 17.435 -2.645 -23.951 1.00 42.23 N ATOM 285 CA GLU A 21 18.448 -2.799 -25.005 1.00 10.02 C ATOM 286 C GLU A 21 18.266 -4.116 -25.738 1.00 1.14 C ATOM 287 O GLU A 21 18.386 -4.187 -26.955 1.00 61.45 O ATOM 288 CB GLU A 21 19.867 -2.827 -24.416 1.00 21.41 C ATOM 289 CG GLU A 21 20.415 -1.508 -23.920 1.00 40.03 C ATOM 290 CD GLU A 21 21.928 -1.585 -23.634 1.00 42.12 C ATOM 291 OE1 GLU A 21 22.395 -2.609 -23.074 1.00 3.53 O ATOM 292 OE2 GLU A 21 22.646 -0.629 -23.992 1.00 15.10 O ATOM 0 H GLU A 21 17.815 -2.578 -23.007 1.00 42.23 H new ATOM 0 HA GLU A 21 18.324 -1.950 -25.677 1.00 10.02 H new ATOM 0 HB2 GLU A 21 19.879 -3.535 -23.588 1.00 21.41 H new ATOM 0 HB3 GLU A 21 20.545 -3.214 -25.176 1.00 21.41 H new ATOM 0 HG2 GLU A 21 20.225 -0.734 -24.663 1.00 40.03 H new ATOM 0 HG3 GLU A 21 19.888 -1.215 -23.012 1.00 40.03 H new ATOM 299 N ILE A 22 18.045 -5.167 -24.966 1.00 21.53 N ATOM 300 CA ILE A 22 17.975 -6.520 -25.496 1.00 24.33 C ATOM 301 C ILE A 22 16.651 -6.732 -26.226 1.00 70.21 C ATOM 302 O ILE A 22 16.600 -7.405 -27.250 1.00 14.31 O ATOM 303 CB ILE A 22 18.154 -7.556 -24.351 1.00 30.13 C ATOM 304 CG1 ILE A 22 19.571 -7.407 -23.747 1.00 40.24 C ATOM 305 CG2 ILE A 22 17.977 -8.999 -24.885 1.00 44.22 C ATOM 306 CD1 ILE A 22 19.808 -8.216 -22.477 1.00 32.51 C ATOM 0 H ILE A 22 17.909 -5.108 -23.957 1.00 21.53 H new ATOM 0 HA ILE A 22 18.784 -6.663 -26.212 1.00 24.33 H new ATOM 0 HB ILE A 22 17.397 -7.370 -23.589 1.00 30.13 H new ATOM 0 HG12 ILE A 22 20.304 -7.708 -24.496 1.00 40.24 H new ATOM 0 HG13 ILE A 22 19.750 -6.354 -23.530 1.00 40.24 H new ATOM 0 HG21 ILE A 22 18.106 -9.708 -24.067 1.00 44.22 H new ATOM 0 HG22 ILE A 22 16.978 -9.111 -25.308 1.00 44.22 H new ATOM 0 HG23 ILE A 22 18.721 -9.195 -25.657 1.00 44.22 H new ATOM 0 HD11 ILE A 22 20.826 -8.051 -22.125 1.00 32.51 H new ATOM 0 HD12 ILE A 22 19.102 -7.901 -21.708 1.00 32.51 H new ATOM 0 HD13 ILE A 22 19.665 -9.276 -22.689 1.00 32.51 H new ATOM 318 N LEU A 23 15.583 -6.174 -25.686 1.00 70.11 N ATOM 319 CA LEU A 23 14.256 -6.372 -26.260 1.00 63.31 C ATOM 320 C LEU A 23 13.944 -5.395 -27.401 1.00 74.44 C ATOM 321 O LEU A 23 13.050 -5.639 -28.178 1.00 45.13 O ATOM 322 CB LEU A 23 13.182 -6.258 -25.163 1.00 1.05 C ATOM 323 CG LEU A 23 12.840 -7.516 -24.337 1.00 32.03 C ATOM 324 CD1 LEU A 23 12.127 -8.510 -25.226 1.00 65.01 C ATOM 325 CD2 LEU A 23 14.030 -8.195 -23.651 1.00 32.01 C ATOM 0 H LEU A 23 15.603 -5.582 -24.855 1.00 70.11 H new ATOM 0 HA LEU A 23 14.246 -7.374 -26.689 1.00 63.31 H new ATOM 0 HB2 LEU A 23 13.499 -5.480 -24.468 1.00 1.05 H new ATOM 0 HB3 LEU A 23 12.263 -5.910 -25.634 1.00 1.05 H new ATOM 0 HG LEU A 23 12.204 -7.171 -23.522 1.00 32.03 H new ATOM 0 HD11 LEU A 23 11.882 -9.402 -24.650 1.00 65.01 H new ATOM 0 HD12 LEU A 23 11.210 -8.062 -25.610 1.00 65.01 H new ATOM 0 HD13 LEU A 23 12.775 -8.783 -26.059 1.00 65.01 H new ATOM 0 HD21 LEU A 23 13.682 -9.067 -23.098 1.00 32.01 H new ATOM 0 HD22 LEU A 23 14.754 -8.508 -24.404 1.00 32.01 H new ATOM 0 HD23 LEU A 23 14.502 -7.494 -22.963 1.00 32.01 H new ATOM 337 N GLY A 24 14.680 -4.294 -27.479 1.00 23.40 N ATOM 338 CA GLY A 24 14.479 -3.314 -28.541 1.00 44.23 C ATOM 339 C GLY A 24 13.209 -2.499 -28.367 1.00 31.02 C ATOM 340 O GLY A 24 12.522 -2.196 -29.340 1.00 23.23 O ATOM 0 H GLY A 24 15.422 -4.056 -26.820 1.00 23.40 H new ATOM 0 HA2 GLY A 24 15.335 -2.640 -28.572 1.00 44.23 H new ATOM 0 HA3 GLY A 24 14.444 -3.829 -29.501 1.00 44.23 H new ATOM 344 N VAL A 25 12.909 -2.135 -27.127 1.00 40.00 N ATOM 345 CA VAL A 25 11.668 -1.411 -26.812 1.00 43.11 C ATOM 346 C VAL A 25 11.881 0.032 -26.388 1.00 71.34 C ATOM 347 O VAL A 25 12.948 0.424 -25.908 1.00 24.22 O ATOM 348 CB VAL A 25 10.857 -2.099 -25.674 1.00 51.22 C ATOM 349 CG1 VAL A 25 10.418 -3.456 -26.087 1.00 53.23 C ATOM 350 CG2 VAL A 25 11.660 -2.212 -24.405 1.00 45.40 C ATOM 0 H VAL A 25 13.502 -2.325 -26.319 1.00 40.00 H new ATOM 0 HA VAL A 25 11.120 -1.430 -27.754 1.00 43.11 H new ATOM 0 HB VAL A 25 9.987 -1.471 -25.483 1.00 51.22 H new ATOM 0 HG11 VAL A 25 9.853 -3.918 -25.277 1.00 53.23 H new ATOM 0 HG12 VAL A 25 9.787 -3.380 -26.972 1.00 53.23 H new ATOM 0 HG13 VAL A 25 11.291 -4.067 -26.315 1.00 53.23 H new ATOM 0 HG21 VAL A 25 11.059 -2.697 -23.636 1.00 45.40 H new ATOM 0 HG22 VAL A 25 12.556 -2.804 -24.593 1.00 45.40 H new ATOM 0 HG23 VAL A 25 11.947 -1.217 -24.066 1.00 45.40 H new ATOM 360 N GLU A 26 10.829 0.813 -26.549 1.00 14.43 N ATOM 361 CA GLU A 26 10.827 2.219 -26.161 1.00 22.32 C ATOM 362 C GLU A 26 10.883 2.410 -24.647 1.00 12.45 C ATOM 363 O GLU A 26 11.412 3.429 -24.160 1.00 54.33 O ATOM 364 CB GLU A 26 9.537 2.864 -26.656 1.00 45.42 C ATOM 365 CG GLU A 26 9.415 2.894 -28.169 1.00 32.42 C ATOM 366 CD GLU A 26 8.153 3.624 -28.615 1.00 4.43 C ATOM 367 OE1 GLU A 26 7.060 3.252 -28.139 1.00 65.23 O ATOM 368 OE2 GLU A 26 8.259 4.611 -29.380 1.00 53.12 O ATOM 0 H GLU A 26 9.948 0.494 -26.953 1.00 14.43 H new ATOM 0 HA GLU A 26 11.714 2.675 -26.601 1.00 22.32 H new ATOM 0 HB2 GLU A 26 8.687 2.322 -26.242 1.00 45.42 H new ATOM 0 HB3 GLU A 26 9.481 3.884 -26.275 1.00 45.42 H new ATOM 0 HG2 GLU A 26 10.290 3.384 -28.596 1.00 32.42 H new ATOM 0 HG3 GLU A 26 9.402 1.874 -28.554 1.00 32.42 H new ATOM 375 N ARG A 27 10.320 1.464 -23.887 1.00 54.41 N ATOM 376 CA ARG A 27 10.285 1.585 -22.428 1.00 32.11 C ATOM 377 C ARG A 27 10.008 0.236 -21.788 1.00 13.40 C ATOM 378 O ARG A 27 9.334 -0.596 -22.386 1.00 2.02 O ATOM 379 CB ARG A 27 9.178 2.566 -22.027 1.00 10.23 C ATOM 380 CG ARG A 27 9.330 3.145 -20.621 1.00 25.51 C ATOM 381 CD ARG A 27 8.260 4.209 -20.353 1.00 52.22 C ATOM 382 NE ARG A 27 8.403 5.358 -21.266 1.00 63.32 N ATOM 383 CZ ARG A 27 7.582 6.403 -21.333 1.00 23.42 C ATOM 384 NH1 ARG A 27 6.528 6.513 -20.563 1.00 74.32 N ATOM 385 NH2 ARG A 27 7.827 7.353 -22.190 1.00 45.14 N ATOM 0 H ARG A 27 9.887 0.616 -24.254 1.00 54.41 H new ATOM 0 HA ARG A 27 11.253 1.949 -22.084 1.00 32.11 H new ATOM 0 HB2 ARG A 27 9.158 3.386 -22.745 1.00 10.23 H new ATOM 0 HB3 ARG A 27 8.216 2.058 -22.096 1.00 10.23 H new ATOM 0 HG2 ARG A 27 9.249 2.347 -19.883 1.00 25.51 H new ATOM 0 HG3 ARG A 27 10.322 3.583 -20.508 1.00 25.51 H new ATOM 0 HD2 ARG A 27 7.270 3.769 -20.472 1.00 52.22 H new ATOM 0 HD3 ARG A 27 8.335 4.551 -19.321 1.00 52.22 H new ATOM 0 HE ARG A 27 9.201 5.351 -21.902 1.00 63.32 H new ATOM 0 HH11 ARG A 27 6.314 5.783 -19.884 1.00 74.32 H new ATOM 0 HH12 ARG A 27 5.921 7.329 -20.643 1.00 74.32 H new ATOM 0 HH21 ARG A 27 8.641 7.291 -22.801 1.00 45.14 H new ATOM 0 HH22 ARG A 27 7.204 8.159 -22.250 1.00 45.14 H new ATOM 399 N VAL A 28 10.484 0.064 -20.563 1.00 5.54 N ATOM 400 CA VAL A 28 10.241 -1.136 -19.765 1.00 65.12 C ATOM 401 C VAL A 28 9.750 -0.623 -18.410 1.00 10.11 C ATOM 402 O VAL A 28 10.242 0.404 -17.931 1.00 3.03 O ATOM 403 CB VAL A 28 11.564 -1.960 -19.591 1.00 45.24 C ATOM 404 CG1 VAL A 28 11.402 -3.110 -18.589 1.00 40.44 C ATOM 405 CG2 VAL A 28 11.996 -2.524 -20.919 1.00 20.35 C ATOM 0 H VAL A 28 11.057 0.761 -20.087 1.00 5.54 H new ATOM 0 HA VAL A 28 9.517 -1.799 -20.239 1.00 65.12 H new ATOM 0 HB VAL A 28 12.320 -1.277 -19.204 1.00 45.24 H new ATOM 0 HG11 VAL A 28 12.344 -3.652 -18.502 1.00 40.44 H new ATOM 0 HG12 VAL A 28 11.123 -2.707 -17.615 1.00 40.44 H new ATOM 0 HG13 VAL A 28 10.624 -3.789 -18.937 1.00 40.44 H new ATOM 0 HG21 VAL A 28 12.916 -3.095 -20.790 1.00 20.35 H new ATOM 0 HG22 VAL A 28 11.215 -3.177 -21.308 1.00 20.35 H new ATOM 0 HG23 VAL A 28 12.171 -1.709 -21.621 1.00 20.35 H new ATOM 415 N GLY A 29 8.791 -1.308 -17.807 1.00 52.03 N ATOM 416 CA GLY A 29 8.338 -0.972 -16.473 1.00 14.41 C ATOM 417 C GLY A 29 9.016 -1.908 -15.498 1.00 75.51 C ATOM 418 O GLY A 29 9.490 -2.968 -15.871 1.00 24.41 O ATOM 0 H GLY A 29 8.311 -2.104 -18.226 1.00 52.03 H new ATOM 0 HA2 GLY A 29 8.581 0.064 -16.238 1.00 14.41 H new ATOM 0 HA3 GLY A 29 7.255 -1.069 -16.403 1.00 14.41 H new ATOM 422 N VAL A 30 9.077 -1.536 -14.230 1.00 73.22 N ATOM 423 CA VAL A 30 9.763 -2.373 -13.228 1.00 52.43 C ATOM 424 C VAL A 30 8.981 -3.636 -12.875 1.00 41.45 C ATOM 425 O VAL A 30 9.495 -4.500 -12.162 1.00 51.12 O ATOM 426 CB VAL A 30 10.067 -1.579 -11.909 1.00 73.31 C ATOM 427 CG1 VAL A 30 11.081 -0.496 -12.192 1.00 41.45 C ATOM 428 CG2 VAL A 30 8.775 -0.975 -11.304 1.00 0.31 C ATOM 0 H VAL A 30 8.670 -0.676 -13.862 1.00 73.22 H new ATOM 0 HA VAL A 30 10.701 -2.668 -13.698 1.00 52.43 H new ATOM 0 HB VAL A 30 10.478 -2.272 -11.174 1.00 73.31 H new ATOM 0 HG11 VAL A 30 11.291 0.054 -11.275 1.00 41.45 H new ATOM 0 HG12 VAL A 30 12.001 -0.947 -12.563 1.00 41.45 H new ATOM 0 HG13 VAL A 30 10.684 0.187 -12.942 1.00 41.45 H new ATOM 0 HG21 VAL A 30 9.020 -0.432 -10.391 1.00 0.31 H new ATOM 0 HG22 VAL A 30 8.322 -0.292 -12.022 1.00 0.31 H new ATOM 0 HG23 VAL A 30 8.073 -1.776 -11.072 1.00 0.31 H new ATOM 438 N ASP A 31 7.771 -3.731 -13.389 1.00 71.45 N ATOM 439 CA ASP A 31 6.916 -4.890 -13.170 1.00 61.55 C ATOM 440 C ASP A 31 6.882 -5.794 -14.394 1.00 71.23 C ATOM 441 O ASP A 31 6.282 -6.859 -14.369 1.00 74.21 O ATOM 442 CB ASP A 31 5.502 -4.399 -12.926 1.00 24.43 C ATOM 443 CG ASP A 31 4.733 -5.269 -11.962 1.00 21.15 C ATOM 444 OD1 ASP A 31 5.293 -6.176 -11.309 1.00 60.41 O ATOM 445 OD2 ASP A 31 3.537 -4.944 -11.783 1.00 63.13 O ATOM 0 H ASP A 31 7.349 -3.008 -13.972 1.00 71.45 H new ATOM 0 HA ASP A 31 7.309 -5.451 -12.322 1.00 61.55 H new ATOM 0 HB2 ASP A 31 5.539 -3.381 -12.538 1.00 24.43 H new ATOM 0 HB3 ASP A 31 4.968 -4.359 -13.876 1.00 24.43 H new ATOM 450 N ASP A 32 7.485 -5.327 -15.474 1.00 21.22 N ATOM 451 CA ASP A 32 7.447 -6.051 -16.741 1.00 44.40 C ATOM 452 C ASP A 32 8.416 -7.208 -16.605 1.00 70.14 C ATOM 453 O ASP A 32 9.604 -7.015 -16.352 1.00 45.21 O ATOM 454 CB ASP A 32 7.893 -5.177 -17.930 1.00 23.44 C ATOM 455 CG ASP A 32 6.959 -4.004 -18.206 1.00 13.31 C ATOM 456 OD1 ASP A 32 5.972 -3.787 -17.475 1.00 74.24 O ATOM 457 OD2 ASP A 32 7.309 -3.215 -19.118 1.00 65.13 O ATOM 0 H ASP A 32 8.007 -4.451 -15.503 1.00 21.22 H new ATOM 0 HA ASP A 32 6.425 -6.372 -16.941 1.00 44.40 H new ATOM 0 HB2 ASP A 32 8.895 -4.795 -17.734 1.00 23.44 H new ATOM 0 HB3 ASP A 32 7.957 -5.798 -18.823 1.00 23.44 H new ATOM 462 N ALA A 33 7.928 -8.431 -16.755 1.00 70.13 N ATOM 463 CA ALA A 33 8.804 -9.577 -16.687 1.00 52.44 C ATOM 464 C ALA A 33 9.601 -9.624 -17.985 1.00 54.01 C ATOM 465 O ALA A 33 9.088 -9.258 -19.035 1.00 73.11 O ATOM 466 CB ALA A 33 7.995 -10.853 -16.486 1.00 23.22 C ATOM 0 H ALA A 33 6.945 -8.647 -16.922 1.00 70.13 H new ATOM 0 HA ALA A 33 9.484 -9.495 -15.839 1.00 52.44 H new ATOM 0 HB1 ALA A 33 8.670 -11.708 -16.437 1.00 23.22 H new ATOM 0 HB2 ALA A 33 7.430 -10.783 -15.557 1.00 23.22 H new ATOM 0 HB3 ALA A 33 7.306 -10.982 -17.321 1.00 23.22 H new ATOM 472 N PHE A 34 10.813 -10.155 -17.927 1.00 51.55 N ATOM 473 CA PHE A 34 11.650 -10.273 -19.121 1.00 51.20 C ATOM 474 C PHE A 34 10.930 -11.052 -20.229 1.00 64.50 C ATOM 475 O PHE A 34 11.061 -10.745 -21.413 1.00 42.50 O ATOM 476 CB PHE A 34 12.967 -10.954 -18.741 1.00 41.53 C ATOM 477 CG PHE A 34 14.005 -10.885 -19.824 1.00 14.14 C ATOM 478 CD1 PHE A 34 14.775 -9.724 -19.987 1.00 24.30 C ATOM 479 CD2 PHE A 34 14.227 -11.984 -20.680 1.00 52.31 C ATOM 480 CE1 PHE A 34 15.778 -9.653 -20.985 1.00 30.34 C ATOM 481 CE2 PHE A 34 15.224 -11.918 -21.681 1.00 5.32 C ATOM 482 CZ PHE A 34 16.016 -10.749 -21.827 1.00 75.14 C ATOM 0 H PHE A 34 11.241 -10.511 -17.072 1.00 51.55 H new ATOM 0 HA PHE A 34 11.857 -9.277 -19.512 1.00 51.20 H new ATOM 0 HB2 PHE A 34 13.362 -10.488 -17.838 1.00 41.53 H new ATOM 0 HB3 PHE A 34 12.772 -11.999 -18.501 1.00 41.53 H new ATOM 0 HD1 PHE A 34 14.601 -8.874 -19.344 1.00 24.30 H new ATOM 0 HD2 PHE A 34 13.633 -12.879 -20.571 1.00 52.31 H new ATOM 0 HE1 PHE A 34 16.362 -8.751 -21.098 1.00 30.34 H new ATOM 0 HE2 PHE A 34 15.383 -12.761 -22.337 1.00 5.32 H new ATOM 0 HZ PHE A 34 16.792 -10.704 -22.577 1.00 75.14 H new ATOM 492 N HIS A 35 10.152 -12.050 -19.838 1.00 51.33 N ATOM 493 CA HIS A 35 9.387 -12.837 -20.810 1.00 24.54 C ATOM 494 C HIS A 35 8.028 -12.236 -21.178 1.00 25.23 C ATOM 495 O HIS A 35 7.474 -12.593 -22.208 1.00 43.42 O ATOM 496 CB HIS A 35 9.208 -14.261 -20.302 1.00 31.02 C ATOM 497 CG HIS A 35 10.418 -15.113 -20.519 1.00 42.34 C ATOM 498 ND1 HIS A 35 10.789 -15.633 -21.729 1.00 23.30 N ATOM 499 CD2 HIS A 35 11.395 -15.509 -19.653 1.00 61.35 C ATOM 500 CE1 HIS A 35 11.909 -16.319 -21.567 1.00 54.22 C ATOM 501 NE2 HIS A 35 12.336 -16.279 -20.316 1.00 63.13 N ATOM 0 H HIS A 35 10.030 -12.337 -18.867 1.00 51.33 H new ATOM 0 HA HIS A 35 9.974 -12.830 -21.728 1.00 24.54 H new ATOM 0 HB2 HIS A 35 8.974 -14.235 -19.238 1.00 31.02 H new ATOM 0 HB3 HIS A 35 8.355 -14.716 -20.805 1.00 31.02 H new ATOM 0 HD1 HIS A 35 10.287 -15.512 -22.608 1.00 23.30 H new ATOM 0 HD2 HIS A 35 11.430 -15.258 -18.603 1.00 61.35 H new ATOM 0 HE1 HIS A 35 12.414 -16.848 -22.362 1.00 54.22 H new ATOM 509 N ASP A 36 7.509 -11.313 -20.376 1.00 0.23 N ATOM 510 CA ASP A 36 6.238 -10.645 -20.685 1.00 31.31 C ATOM 511 C ASP A 36 6.505 -9.683 -21.845 1.00 2.35 C ATOM 512 O ASP A 36 5.679 -9.479 -22.713 1.00 24.32 O ATOM 513 CB ASP A 36 5.728 -9.872 -19.458 1.00 4.34 C ATOM 514 CG ASP A 36 4.270 -9.459 -19.589 1.00 70.41 C ATOM 515 OD1 ASP A 36 3.501 -10.200 -20.242 1.00 61.13 O ATOM 516 OD2 ASP A 36 3.879 -8.470 -18.935 1.00 55.04 O ATOM 0 H ASP A 36 7.944 -11.006 -19.506 1.00 0.23 H new ATOM 0 HA ASP A 36 5.475 -11.375 -20.955 1.00 31.31 H new ATOM 0 HB2 ASP A 36 5.848 -10.491 -18.568 1.00 4.34 H new ATOM 0 HB3 ASP A 36 6.342 -8.983 -19.313 1.00 4.34 H new ATOM 521 N LEU A 37 7.728 -9.187 -21.889 1.00 42.31 N ATOM 522 CA LEU A 37 8.203 -8.346 -22.989 1.00 30.43 C ATOM 523 C LEU A 37 8.487 -9.157 -24.265 1.00 51.34 C ATOM 524 O LEU A 37 8.877 -8.598 -25.289 1.00 52.43 O ATOM 525 CB LEU A 37 9.509 -7.650 -22.562 1.00 73.04 C ATOM 526 CG LEU A 37 9.408 -6.634 -21.415 1.00 60.23 C ATOM 527 CD1 LEU A 37 10.803 -6.315 -20.875 1.00 52.44 C ATOM 528 CD2 LEU A 37 8.730 -5.357 -21.914 1.00 32.00 C ATOM 0 H LEU A 37 8.427 -9.352 -21.165 1.00 42.31 H new ATOM 0 HA LEU A 37 7.417 -7.624 -23.210 1.00 30.43 H new ATOM 0 HB2 LEU A 37 10.225 -8.419 -22.273 1.00 73.04 H new ATOM 0 HB3 LEU A 37 9.923 -7.140 -23.432 1.00 73.04 H new ATOM 0 HG LEU A 37 8.810 -7.061 -20.610 1.00 60.23 H new ATOM 0 HD11 LEU A 37 10.722 -5.594 -20.062 1.00 52.44 H new ATOM 0 HD12 LEU A 37 11.268 -7.229 -20.505 1.00 52.44 H new ATOM 0 HD13 LEU A 37 11.415 -5.895 -21.673 1.00 52.44 H new ATOM 0 HD21 LEU A 37 8.660 -4.639 -21.097 1.00 32.00 H new ATOM 0 HD22 LEU A 37 9.317 -4.927 -22.726 1.00 32.00 H new ATOM 0 HD23 LEU A 37 7.729 -5.594 -22.275 1.00 32.00 H new ATOM 540 N GLY A 38 8.322 -10.472 -24.195 1.00 21.15 N ATOM 541 CA GLY A 38 8.609 -11.337 -25.336 1.00 34.35 C ATOM 542 C GLY A 38 10.040 -11.870 -25.349 1.00 52.30 C ATOM 543 O GLY A 38 10.537 -12.335 -26.369 1.00 32.44 O ATOM 0 H GLY A 38 7.992 -10.963 -23.364 1.00 21.15 H new ATOM 0 HA2 GLY A 38 7.916 -12.178 -25.328 1.00 34.35 H new ATOM 0 HA3 GLY A 38 8.427 -10.783 -26.257 1.00 34.35 H new ATOM 547 N GLY A 39 10.716 -11.798 -24.216 1.00 63.34 N ATOM 548 CA GLY A 39 12.080 -12.290 -24.130 1.00 54.32 C ATOM 549 C GLY A 39 12.180 -13.792 -24.346 1.00 23.12 C ATOM 550 O GLY A 39 11.183 -14.518 -24.356 1.00 44.01 O ATOM 0 H GLY A 39 10.347 -11.407 -23.349 1.00 63.34 H new ATOM 0 HA2 GLY A 39 12.693 -11.779 -24.873 1.00 54.32 H new ATOM 0 HA3 GLY A 39 12.490 -12.040 -23.152 1.00 54.32 H new ATOM 554 N SER A 40 13.398 -14.279 -24.532 1.00 41.13 N ATOM 555 CA SER A 40 13.628 -15.704 -24.804 1.00 41.42 C ATOM 556 C SER A 40 14.713 -16.260 -23.891 1.00 21.23 C ATOM 557 O SER A 40 15.464 -15.511 -23.280 1.00 71.23 O ATOM 558 CB SER A 40 14.034 -15.888 -26.270 1.00 74.25 C ATOM 559 OG SER A 40 13.008 -15.452 -27.147 1.00 23.30 O ATOM 0 H SER A 40 14.247 -13.714 -24.501 1.00 41.13 H new ATOM 0 HA SER A 40 12.705 -16.250 -24.610 1.00 41.42 H new ATOM 0 HB2 SER A 40 14.948 -15.329 -26.469 1.00 74.25 H new ATOM 0 HB3 SER A 40 14.255 -16.938 -26.459 1.00 74.25 H new ATOM 0 HG SER A 40 13.295 -15.580 -28.075 1.00 23.30 H new ATOM 565 N SER A 41 14.805 -17.579 -23.817 1.00 70.44 N ATOM 566 CA SER A 41 15.797 -18.252 -22.959 1.00 31.43 C ATOM 567 C SER A 41 17.221 -17.795 -23.249 1.00 34.05 C ATOM 568 O SER A 41 17.952 -17.399 -22.341 1.00 53.30 O ATOM 569 CB SER A 41 15.695 -19.765 -23.158 1.00 24.52 C ATOM 570 OG SER A 41 16.671 -20.436 -22.387 1.00 22.04 O ATOM 0 H SER A 41 14.205 -18.217 -24.340 1.00 70.44 H new ATOM 0 HA SER A 41 15.574 -17.986 -21.926 1.00 31.43 H new ATOM 0 HB2 SER A 41 14.700 -20.108 -22.874 1.00 24.52 H new ATOM 0 HB3 SER A 41 15.827 -20.008 -24.212 1.00 24.52 H new ATOM 0 HG SER A 41 16.590 -21.403 -22.526 1.00 22.04 H new ATOM 576 N ALA A 42 17.604 -17.794 -24.518 1.00 71.25 N ATOM 577 CA ALA A 42 18.955 -17.382 -24.910 1.00 10.35 C ATOM 578 C ALA A 42 19.217 -15.916 -24.515 1.00 41.54 C ATOM 579 O ALA A 42 20.311 -15.556 -24.076 1.00 43.51 O ATOM 580 CB ALA A 42 19.150 -17.570 -26.425 1.00 10.13 C ATOM 0 H ALA A 42 17.005 -18.072 -25.295 1.00 71.25 H new ATOM 0 HA ALA A 42 19.672 -18.011 -24.382 1.00 10.35 H new ATOM 0 HB1 ALA A 42 20.157 -17.260 -26.703 1.00 10.13 H new ATOM 0 HB2 ALA A 42 19.009 -18.620 -26.683 1.00 10.13 H new ATOM 0 HB3 ALA A 42 18.422 -16.963 -26.964 1.00 10.13 H new ATOM 586 N LEU A 43 18.196 -15.092 -24.651 1.00 74.42 N ATOM 587 CA LEU A 43 18.303 -13.684 -24.328 1.00 11.43 C ATOM 588 C LEU A 43 18.477 -13.512 -22.814 1.00 51.04 C ATOM 589 O LEU A 43 19.265 -12.682 -22.365 1.00 21.42 O ATOM 590 CB LEU A 43 17.049 -12.937 -24.812 1.00 41.30 C ATOM 591 CG LEU A 43 17.037 -12.365 -26.234 1.00 63.21 C ATOM 592 CD1 LEU A 43 17.287 -13.404 -27.326 1.00 22.04 C ATOM 593 CD2 LEU A 43 15.705 -11.689 -26.496 1.00 60.02 C ATOM 0 H LEU A 43 17.276 -15.378 -24.986 1.00 74.42 H new ATOM 0 HA LEU A 43 19.173 -13.264 -24.832 1.00 11.43 H new ATOM 0 HB2 LEU A 43 16.203 -13.618 -24.723 1.00 41.30 H new ATOM 0 HB3 LEU A 43 16.868 -12.112 -24.122 1.00 41.30 H new ATOM 0 HG LEU A 43 17.863 -11.655 -26.281 1.00 63.21 H new ATOM 0 HD11 LEU A 43 17.263 -12.919 -28.302 1.00 22.04 H new ATOM 0 HD12 LEU A 43 18.263 -13.864 -27.174 1.00 22.04 H new ATOM 0 HD13 LEU A 43 16.514 -14.171 -27.282 1.00 22.04 H new ATOM 0 HD21 LEU A 43 15.696 -11.282 -27.507 1.00 60.02 H new ATOM 0 HD22 LEU A 43 14.901 -12.417 -26.391 1.00 60.02 H new ATOM 0 HD23 LEU A 43 15.560 -10.881 -25.779 1.00 60.02 H new ATOM 605 N ALA A 44 17.776 -14.320 -22.029 1.00 13.14 N ATOM 606 CA ALA A 44 17.874 -14.255 -20.573 1.00 61.02 C ATOM 607 C ALA A 44 19.277 -14.635 -20.095 1.00 74.25 C ATOM 608 O ALA A 44 19.759 -14.120 -19.107 1.00 43.51 O ATOM 609 CB ALA A 44 16.811 -15.162 -19.927 1.00 1.24 C ATOM 0 H ALA A 44 17.131 -15.030 -22.375 1.00 13.14 H new ATOM 0 HA ALA A 44 17.688 -13.226 -20.264 1.00 61.02 H new ATOM 0 HB1 ALA A 44 16.895 -15.105 -18.842 1.00 1.24 H new ATOM 0 HB2 ALA A 44 15.818 -14.833 -20.232 1.00 1.24 H new ATOM 0 HB3 ALA A 44 16.967 -16.192 -20.249 1.00 1.24 H new ATOM 615 N MET A 45 19.952 -15.509 -20.813 1.00 64.24 N ATOM 616 CA MET A 45 21.320 -15.891 -20.463 1.00 10.03 C ATOM 617 C MET A 45 22.288 -14.746 -20.779 1.00 43.44 C ATOM 618 O MET A 45 23.226 -14.484 -20.021 1.00 73.52 O ATOM 619 CB MET A 45 21.747 -17.131 -21.254 1.00 60.13 C ATOM 620 CG MET A 45 20.898 -18.369 -20.968 1.00 51.13 C ATOM 621 SD MET A 45 21.309 -19.748 -22.074 1.00 11.50 S ATOM 622 CE MET A 45 22.766 -20.469 -21.277 1.00 44.43 C ATOM 0 H MET A 45 19.583 -15.972 -21.643 1.00 64.24 H new ATOM 0 HA MET A 45 21.347 -16.111 -19.396 1.00 10.03 H new ATOM 0 HB2 MET A 45 21.697 -16.906 -22.319 1.00 60.13 H new ATOM 0 HB3 MET A 45 22.789 -17.356 -21.025 1.00 60.13 H new ATOM 0 HG2 MET A 45 21.046 -18.678 -19.933 1.00 51.13 H new ATOM 0 HG3 MET A 45 19.843 -18.118 -21.078 1.00 51.13 H new ATOM 0 HE1 MET A 45 23.114 -21.323 -21.859 1.00 44.43 H new ATOM 0 HE2 MET A 45 23.557 -19.722 -21.221 1.00 44.43 H new ATOM 0 HE3 MET A 45 22.505 -20.797 -20.271 1.00 44.43 H new ATOM 632 N ARG A 46 22.056 -14.058 -21.890 1.00 63.34 N ATOM 633 CA ARG A 46 22.900 -12.919 -22.293 1.00 20.43 C ATOM 634 C ARG A 46 22.659 -11.721 -21.394 1.00 43.10 C ATOM 635 O ARG A 46 23.572 -10.941 -21.147 1.00 72.12 O ATOM 636 CB ARG A 46 22.637 -12.527 -23.754 1.00 72.23 C ATOM 637 CG ARG A 46 23.025 -13.605 -24.780 1.00 32.14 C ATOM 638 CD ARG A 46 24.535 -13.867 -24.811 1.00 40.10 C ATOM 639 NE ARG A 46 24.886 -14.834 -25.859 1.00 32.42 N ATOM 640 CZ ARG A 46 26.110 -15.324 -26.075 1.00 11.52 C ATOM 641 NH1 ARG A 46 27.145 -14.979 -25.348 1.00 61.34 N ATOM 642 NH2 ARG A 46 26.278 -16.183 -27.038 1.00 55.01 N ATOM 0 H ARG A 46 21.292 -14.262 -22.534 1.00 63.34 H new ATOM 0 HA ARG A 46 23.939 -13.232 -22.195 1.00 20.43 H new ATOM 0 HB2 ARG A 46 21.578 -12.296 -23.871 1.00 72.23 H new ATOM 0 HB3 ARG A 46 23.189 -11.614 -23.978 1.00 72.23 H new ATOM 0 HG2 ARG A 46 22.503 -14.532 -24.543 1.00 32.14 H new ATOM 0 HG3 ARG A 46 22.692 -13.296 -25.771 1.00 32.14 H new ATOM 0 HD2 ARG A 46 25.065 -12.931 -24.984 1.00 40.10 H new ATOM 0 HD3 ARG A 46 24.861 -14.243 -23.841 1.00 40.10 H new ATOM 0 HE ARG A 46 24.136 -15.157 -26.470 1.00 32.42 H new ATOM 0 HH11 ARG A 46 27.032 -14.313 -24.584 1.00 61.34 H new ATOM 0 HH12 ARG A 46 28.063 -15.377 -25.546 1.00 61.34 H new ATOM 0 HH21 ARG A 46 25.484 -16.469 -27.610 1.00 55.01 H new ATOM 0 HH22 ARG A 46 27.204 -16.570 -27.221 1.00 55.01 H new ATOM 656 N LEU A 47 21.447 -11.610 -20.867 1.00 31.22 N ATOM 657 CA LEU A 47 21.099 -10.552 -19.917 1.00 34.34 C ATOM 658 C LEU A 47 22.043 -10.594 -18.728 1.00 14.33 C ATOM 659 O LEU A 47 22.534 -9.557 -18.294 1.00 41.11 O ATOM 660 CB LEU A 47 19.658 -10.742 -19.439 1.00 65.45 C ATOM 661 CG LEU A 47 19.171 -9.806 -18.324 1.00 12.50 C ATOM 662 CD1 LEU A 47 19.062 -8.348 -18.761 1.00 22.32 C ATOM 663 CD2 LEU A 47 17.831 -10.288 -17.860 1.00 1.24 C ATOM 0 H LEU A 47 20.678 -12.245 -21.082 1.00 31.22 H new ATOM 0 HA LEU A 47 21.190 -9.585 -20.411 1.00 34.34 H new ATOM 0 HB2 LEU A 47 18.997 -10.622 -20.297 1.00 65.45 H new ATOM 0 HB3 LEU A 47 19.547 -11.770 -19.093 1.00 65.45 H new ATOM 0 HG LEU A 47 19.910 -9.833 -17.523 1.00 12.50 H new ATOM 0 HD11 LEU A 47 18.713 -7.743 -17.925 1.00 22.32 H new ATOM 0 HD12 LEU A 47 20.040 -7.991 -19.084 1.00 22.32 H new ATOM 0 HD13 LEU A 47 18.356 -8.268 -19.587 1.00 22.32 H new ATOM 0 HD21 LEU A 47 17.465 -9.637 -17.066 1.00 1.24 H new ATOM 0 HD22 LEU A 47 17.130 -10.273 -18.694 1.00 1.24 H new ATOM 0 HD23 LEU A 47 17.922 -11.306 -17.481 1.00 1.24 H new ATOM 675 N ILE A 48 22.317 -11.784 -18.218 1.00 43.42 N ATOM 676 CA ILE A 48 23.193 -11.924 -17.052 1.00 53.30 C ATOM 677 C ILE A 48 24.597 -11.389 -17.365 1.00 63.22 C ATOM 678 O ILE A 48 25.208 -10.696 -16.554 1.00 60.32 O ATOM 679 CB ILE A 48 23.317 -13.413 -16.584 1.00 3.43 C ATOM 680 CG1 ILE A 48 21.925 -14.087 -16.614 1.00 22.31 C ATOM 681 CG2 ILE A 48 23.940 -13.467 -15.151 1.00 44.11 C ATOM 682 CD1 ILE A 48 21.886 -15.528 -16.096 1.00 5.21 C ATOM 0 H ILE A 48 21.952 -12.663 -18.585 1.00 43.42 H new ATOM 0 HA ILE A 48 22.739 -11.343 -16.249 1.00 53.30 H new ATOM 0 HB ILE A 48 23.975 -13.958 -17.262 1.00 3.43 H new ATOM 0 HG12 ILE A 48 21.235 -13.486 -16.021 1.00 22.31 H new ATOM 0 HG13 ILE A 48 21.556 -14.077 -17.640 1.00 22.31 H new ATOM 0 HG21 ILE A 48 24.024 -14.505 -14.830 1.00 44.11 H new ATOM 0 HG22 ILE A 48 24.930 -13.011 -15.167 1.00 44.11 H new ATOM 0 HG23 ILE A 48 23.301 -12.923 -14.456 1.00 44.11 H new ATOM 0 HD11 ILE A 48 20.867 -15.910 -16.159 1.00 5.21 H new ATOM 0 HD12 ILE A 48 22.545 -16.150 -16.702 1.00 5.21 H new ATOM 0 HD13 ILE A 48 22.219 -15.551 -15.058 1.00 5.21 H new ATOM 694 N ALA A 49 25.103 -11.709 -18.545 1.00 61.03 N ATOM 695 CA ALA A 49 26.444 -11.279 -18.952 1.00 0.12 C ATOM 696 C ALA A 49 26.526 -9.753 -19.082 1.00 50.11 C ATOM 697 O ALA A 49 27.482 -9.136 -18.645 1.00 3.31 O ATOM 698 CB ALA A 49 26.821 -11.958 -20.267 1.00 65.41 C ATOM 0 H ALA A 49 24.610 -12.266 -19.243 1.00 61.03 H new ATOM 0 HA ALA A 49 27.154 -11.576 -18.180 1.00 0.12 H new ATOM 0 HB1 ALA A 49 27.818 -11.638 -20.569 1.00 65.41 H new ATOM 0 HB2 ALA A 49 26.812 -13.040 -20.134 1.00 65.41 H new ATOM 0 HB3 ALA A 49 26.102 -11.682 -21.038 1.00 65.41 H new ATOM 704 N ARG A 50 25.498 -9.150 -19.659 1.00 2.50 N ATOM 705 CA ARG A 50 25.474 -7.693 -19.844 1.00 31.34 C ATOM 706 C ARG A 50 25.470 -6.984 -18.495 1.00 40.53 C ATOM 707 O ARG A 50 26.193 -6.018 -18.290 1.00 65.52 O ATOM 708 CB ARG A 50 24.241 -7.270 -20.641 1.00 41.23 C ATOM 709 CG ARG A 50 24.297 -7.526 -22.156 1.00 63.13 C ATOM 710 CD ARG A 50 25.276 -6.590 -22.898 1.00 1.21 C ATOM 711 NE ARG A 50 24.907 -5.165 -22.761 1.00 33.52 N ATOM 712 CZ ARG A 50 25.696 -4.211 -22.273 1.00 43.32 C ATOM 713 NH1 ARG A 50 26.918 -4.432 -21.851 1.00 62.52 N ATOM 714 NH2 ARG A 50 25.247 -2.988 -22.208 1.00 13.21 N ATOM 0 H ARG A 50 24.672 -9.636 -20.008 1.00 2.50 H new ATOM 0 HA ARG A 50 26.370 -7.411 -20.397 1.00 31.34 H new ATOM 0 HB2 ARG A 50 23.374 -7.793 -20.236 1.00 41.23 H new ATOM 0 HB3 ARG A 50 24.076 -6.205 -20.478 1.00 41.23 H new ATOM 0 HG2 ARG A 50 24.591 -8.561 -22.332 1.00 63.13 H new ATOM 0 HG3 ARG A 50 23.299 -7.402 -22.576 1.00 63.13 H new ATOM 0 HD2 ARG A 50 26.283 -6.741 -22.509 1.00 1.21 H new ATOM 0 HD3 ARG A 50 25.299 -6.857 -23.955 1.00 1.21 H new ATOM 0 HE ARG A 50 23.973 -4.891 -23.065 1.00 33.52 H new ATOM 0 HH11 ARG A 50 27.308 -5.374 -21.888 1.00 62.52 H new ATOM 0 HH12 ARG A 50 27.479 -3.662 -21.486 1.00 62.52 H new ATOM 0 HH21 ARG A 50 24.303 -2.774 -22.529 1.00 13.21 H new ATOM 0 HH22 ARG A 50 25.840 -2.246 -21.836 1.00 13.21 H new ATOM 728 N ILE A 51 24.664 -7.476 -17.572 1.00 31.42 N ATOM 729 CA ILE A 51 24.619 -6.897 -16.225 1.00 62.02 C ATOM 730 C ILE A 51 26.009 -6.973 -15.595 1.00 71.10 C ATOM 731 O ILE A 51 26.445 -6.023 -14.945 1.00 75.31 O ATOM 732 CB ILE A 51 23.573 -7.631 -15.316 1.00 72.14 C ATOM 733 CG1 ILE A 51 22.147 -7.374 -15.864 1.00 64.13 C ATOM 734 CG2 ILE A 51 23.677 -7.130 -13.847 1.00 63.24 C ATOM 735 CD1 ILE A 51 21.090 -8.314 -15.300 1.00 45.52 C ATOM 0 H ILE A 51 24.035 -8.266 -17.719 1.00 31.42 H new ATOM 0 HA ILE A 51 24.307 -5.856 -16.309 1.00 62.02 H new ATOM 0 HB ILE A 51 23.782 -8.701 -15.328 1.00 72.14 H new ATOM 0 HG12 ILE A 51 21.862 -6.346 -15.639 1.00 64.13 H new ATOM 0 HG13 ILE A 51 22.163 -7.470 -16.950 1.00 64.13 H new ATOM 0 HG21 ILE A 51 22.943 -7.651 -13.232 1.00 63.24 H new ATOM 0 HG22 ILE A 51 24.678 -7.329 -13.465 1.00 63.24 H new ATOM 0 HG23 ILE A 51 23.483 -6.058 -13.814 1.00 63.24 H new ATOM 0 HD11 ILE A 51 20.119 -8.071 -15.732 1.00 45.52 H new ATOM 0 HD12 ILE A 51 21.349 -9.343 -15.547 1.00 45.52 H new ATOM 0 HD13 ILE A 51 21.044 -8.202 -14.217 1.00 45.52 H new ATOM 747 N ARG A 52 26.723 -8.075 -15.802 1.00 13.04 N ATOM 748 CA ARG A 52 28.077 -8.216 -15.238 1.00 42.34 C ATOM 749 C ARG A 52 29.016 -7.168 -15.838 1.00 32.01 C ATOM 750 O ARG A 52 29.785 -6.552 -15.129 1.00 61.25 O ATOM 751 CB ARG A 52 28.619 -9.645 -15.488 1.00 44.30 C ATOM 752 CG ARG A 52 29.824 -10.091 -14.603 1.00 73.14 C ATOM 753 CD ARG A 52 31.169 -9.408 -14.953 1.00 11.42 C ATOM 754 NE ARG A 52 31.460 -9.419 -16.400 1.00 55.23 N ATOM 755 CZ ARG A 52 32.528 -8.865 -16.965 1.00 55.04 C ATOM 756 NH1 ARG A 52 33.447 -8.243 -16.272 1.00 12.23 N ATOM 757 NH2 ARG A 52 32.675 -8.935 -18.258 1.00 23.35 N ATOM 0 H ARG A 52 26.401 -8.876 -16.346 1.00 13.04 H new ATOM 0 HA ARG A 52 28.025 -8.053 -14.162 1.00 42.34 H new ATOM 0 HB2 ARG A 52 27.803 -10.352 -15.337 1.00 44.30 H new ATOM 0 HB3 ARG A 52 28.916 -9.720 -16.534 1.00 44.30 H new ATOM 0 HG2 ARG A 52 29.587 -9.884 -13.559 1.00 73.14 H new ATOM 0 HG3 ARG A 52 29.945 -11.170 -14.695 1.00 73.14 H new ATOM 0 HD2 ARG A 52 31.150 -8.377 -14.599 1.00 11.42 H new ATOM 0 HD3 ARG A 52 31.976 -9.913 -14.422 1.00 11.42 H new ATOM 0 HE ARG A 52 30.792 -9.887 -17.012 1.00 55.23 H new ATOM 0 HH11 ARG A 52 33.359 -8.170 -15.258 1.00 12.23 H new ATOM 0 HH12 ARG A 52 34.251 -7.832 -16.745 1.00 12.23 H new ATOM 0 HH21 ARG A 52 31.974 -9.411 -18.826 1.00 23.35 H new ATOM 0 HH22 ARG A 52 33.491 -8.513 -18.702 1.00 23.35 H new ATOM 771 N GLU A 53 28.956 -6.955 -17.143 1.00 4.24 N ATOM 772 CA GLU A 53 29.847 -5.991 -17.800 1.00 3.33 C ATOM 773 C GLU A 53 29.631 -4.579 -17.278 1.00 51.54 C ATOM 774 O GLU A 53 30.582 -3.796 -17.175 1.00 61.34 O ATOM 775 CB GLU A 53 29.591 -5.985 -19.307 1.00 52.04 C ATOM 776 CG GLU A 53 30.036 -7.268 -19.986 1.00 43.11 C ATOM 777 CD GLU A 53 29.639 -7.350 -21.446 1.00 5.05 C ATOM 778 OE1 GLU A 53 28.503 -6.940 -21.785 1.00 24.43 O ATOM 779 OE2 GLU A 53 30.431 -7.904 -22.238 1.00 23.01 O ATOM 0 H GLU A 53 28.307 -7.429 -17.771 1.00 4.24 H new ATOM 0 HA GLU A 53 30.870 -6.299 -17.582 1.00 3.33 H new ATOM 0 HB2 GLU A 53 28.527 -5.833 -19.489 1.00 52.04 H new ATOM 0 HB3 GLU A 53 30.115 -5.141 -19.756 1.00 52.04 H new ATOM 0 HG2 GLU A 53 31.120 -7.354 -19.907 1.00 43.11 H new ATOM 0 HG3 GLU A 53 29.609 -8.118 -19.454 1.00 43.11 H new ATOM 786 N GLU A 54 28.393 -4.235 -16.958 1.00 23.21 N ATOM 787 CA GLU A 54 28.082 -2.888 -16.510 1.00 64.52 C ATOM 788 C GLU A 54 28.219 -2.677 -14.993 1.00 1.11 C ATOM 789 O GLU A 54 28.724 -1.657 -14.552 1.00 14.32 O ATOM 790 CB GLU A 54 26.646 -2.541 -16.946 1.00 12.04 C ATOM 791 CG GLU A 54 26.408 -2.641 -18.460 1.00 14.03 C ATOM 792 CD GLU A 54 27.236 -1.683 -19.291 1.00 43.32 C ATOM 793 OE1 GLU A 54 27.525 -0.564 -18.813 1.00 54.20 O ATOM 794 OE2 GLU A 54 27.598 -2.047 -20.441 1.00 63.23 O ATOM 0 H GLU A 54 27.593 -4.866 -17.000 1.00 23.21 H new ATOM 0 HA GLU A 54 28.817 -2.229 -16.972 1.00 64.52 H new ATOM 0 HB2 GLU A 54 25.952 -3.208 -16.435 1.00 12.04 H new ATOM 0 HB3 GLU A 54 26.413 -1.528 -16.619 1.00 12.04 H new ATOM 0 HG2 GLU A 54 26.622 -3.660 -18.782 1.00 14.03 H new ATOM 0 HG3 GLU A 54 25.353 -2.458 -18.662 1.00 14.03 H new ATOM 801 N LEU A 55 27.750 -3.641 -14.215 1.00 62.44 N ATOM 802 CA LEU A 55 27.672 -3.507 -12.754 1.00 30.35 C ATOM 803 C LEU A 55 28.635 -4.438 -11.970 1.00 72.04 C ATOM 804 O LEU A 55 28.776 -4.301 -10.759 1.00 5.32 O ATOM 805 CB LEU A 55 26.244 -3.815 -12.282 1.00 44.55 C ATOM 806 CG LEU A 55 25.265 -2.626 -12.164 1.00 32.40 C ATOM 807 CD1 LEU A 55 25.618 -1.754 -10.958 1.00 63.11 C ATOM 808 CD2 LEU A 55 25.209 -1.753 -13.421 1.00 2.14 C ATOM 0 H LEU A 55 27.413 -4.536 -14.568 1.00 62.44 H new ATOM 0 HA LEU A 55 27.968 -2.479 -12.544 1.00 30.35 H new ATOM 0 HB2 LEU A 55 25.811 -4.542 -12.969 1.00 44.55 H new ATOM 0 HB3 LEU A 55 26.308 -4.298 -11.307 1.00 44.55 H new ATOM 0 HG LEU A 55 24.277 -3.068 -12.034 1.00 32.40 H new ATOM 0 HD11 LEU A 55 24.917 -0.922 -10.893 1.00 63.11 H new ATOM 0 HD12 LEU A 55 25.559 -2.351 -10.048 1.00 63.11 H new ATOM 0 HD13 LEU A 55 26.630 -1.367 -11.073 1.00 63.11 H new ATOM 0 HD21 LEU A 55 24.502 -0.938 -13.267 1.00 2.14 H new ATOM 0 HD22 LEU A 55 26.198 -1.342 -13.623 1.00 2.14 H new ATOM 0 HD23 LEU A 55 24.887 -2.357 -14.269 1.00 2.14 H new ATOM 820 N GLY A 56 29.275 -5.380 -12.648 1.00 42.11 N ATOM 821 CA GLY A 56 30.238 -6.274 -12.003 1.00 74.20 C ATOM 822 C GLY A 56 29.678 -7.370 -11.124 1.00 61.50 C ATOM 823 O GLY A 56 30.381 -7.883 -10.257 1.00 74.35 O ATOM 0 H GLY A 56 29.148 -5.549 -13.646 1.00 42.11 H new ATOM 0 HA2 GLY A 56 30.841 -6.740 -12.782 1.00 74.20 H new ATOM 0 HA3 GLY A 56 30.912 -5.666 -11.399 1.00 74.20 H new ATOM 827 N VAL A 57 28.399 -7.716 -11.314 1.00 41.32 N ATOM 828 CA VAL A 57 27.754 -8.679 -10.408 1.00 54.12 C ATOM 829 C VAL A 57 27.182 -9.877 -11.203 1.00 34.11 C ATOM 830 O VAL A 57 26.813 -9.766 -12.396 1.00 73.04 O ATOM 831 CB VAL A 57 26.609 -7.984 -9.619 1.00 2.24 C ATOM 832 CG1 VAL A 57 27.274 -6.932 -8.684 1.00 34.55 C ATOM 833 CG2 VAL A 57 25.587 -7.320 -10.562 1.00 4.41 C ATOM 0 H VAL A 57 27.804 -7.358 -12.061 1.00 41.32 H new ATOM 0 HA VAL A 57 28.505 -9.047 -9.709 1.00 54.12 H new ATOM 0 HB VAL A 57 26.051 -8.720 -9.040 1.00 2.24 H new ATOM 0 HG11 VAL A 57 26.504 -6.418 -8.109 1.00 34.55 H new ATOM 0 HG12 VAL A 57 27.962 -7.434 -8.003 1.00 34.55 H new ATOM 0 HG13 VAL A 57 27.823 -6.207 -9.285 1.00 34.55 H new ATOM 0 HG21 VAL A 57 24.803 -6.845 -9.972 1.00 4.41 H new ATOM 0 HG22 VAL A 57 26.089 -6.568 -11.171 1.00 4.41 H new ATOM 0 HG23 VAL A 57 25.146 -8.076 -11.211 1.00 4.41 H new ATOM 843 N ASP A 58 27.195 -11.037 -10.576 1.00 23.13 N ATOM 844 CA ASP A 58 26.718 -12.290 -11.197 1.00 72.13 C ATOM 845 C ASP A 58 25.451 -12.772 -10.494 1.00 52.02 C ATOM 846 O ASP A 58 25.221 -12.471 -9.312 1.00 54.13 O ATOM 847 CB ASP A 58 27.787 -13.388 -11.081 1.00 4.00 C ATOM 848 CG ASP A 58 27.881 -13.973 -9.670 1.00 74.21 C ATOM 849 OD1 ASP A 58 28.518 -13.340 -8.808 1.00 23.12 O ATOM 850 OD2 ASP A 58 27.225 -15.014 -9.406 1.00 72.14 O ATOM 0 H ASP A 58 27.534 -11.154 -9.621 1.00 23.13 H new ATOM 0 HA ASP A 58 26.511 -12.090 -12.248 1.00 72.13 H new ATOM 0 HB2 ASP A 58 27.560 -14.187 -11.787 1.00 4.00 H new ATOM 0 HB3 ASP A 58 28.756 -12.978 -11.365 1.00 4.00 H new ATOM 855 N LEU A 59 24.625 -13.501 -11.228 1.00 31.34 N ATOM 856 CA LEU A 59 23.366 -14.012 -10.701 1.00 41.32 C ATOM 857 C LEU A 59 23.041 -15.375 -11.327 1.00 10.21 C ATOM 858 O LEU A 59 23.081 -15.518 -12.548 1.00 62.01 O ATOM 859 CB LEU A 59 22.255 -13.031 -11.061 1.00 34.20 C ATOM 860 CG LEU A 59 20.914 -13.269 -10.364 1.00 64.54 C ATOM 861 CD1 LEU A 59 20.797 -12.353 -9.153 1.00 31.13 C ATOM 862 CD2 LEU A 59 19.790 -13.022 -11.337 1.00 44.42 C ATOM 0 H LEU A 59 24.805 -13.755 -12.199 1.00 31.34 H new ATOM 0 HA LEU A 59 23.448 -14.126 -9.620 1.00 41.32 H new ATOM 0 HB2 LEU A 59 22.594 -12.023 -10.824 1.00 34.20 H new ATOM 0 HB3 LEU A 59 22.096 -13.069 -12.139 1.00 34.20 H new ATOM 0 HG LEU A 59 20.854 -14.302 -10.021 1.00 64.54 H new ATOM 0 HD11 LEU A 59 19.841 -12.524 -8.658 1.00 31.13 H new ATOM 0 HD12 LEU A 59 21.609 -12.564 -8.457 1.00 31.13 H new ATOM 0 HD13 LEU A 59 20.857 -11.314 -9.476 1.00 31.13 H new ATOM 0 HD21 LEU A 59 18.835 -13.192 -10.840 1.00 44.42 H new ATOM 0 HD22 LEU A 59 19.836 -11.993 -11.693 1.00 44.42 H new ATOM 0 HD23 LEU A 59 19.885 -13.703 -12.183 1.00 44.42 H new ATOM 874 N PRO A 60 22.725 -16.398 -10.511 1.00 61.22 N ATOM 875 CA PRO A 60 22.419 -17.659 -11.193 1.00 54.42 C ATOM 876 C PRO A 60 21.035 -17.634 -11.856 1.00 73.30 C ATOM 877 O PRO A 60 20.118 -16.946 -11.401 1.00 34.30 O ATOM 878 CB PRO A 60 22.466 -18.676 -10.061 1.00 12.42 C ATOM 879 CG PRO A 60 22.039 -17.912 -8.869 1.00 1.45 C ATOM 880 CD PRO A 60 22.634 -16.533 -9.048 1.00 2.10 C ATOM 0 HA PRO A 60 23.112 -17.877 -12.006 1.00 54.42 H new ATOM 0 HB2 PRO A 60 21.801 -19.518 -10.254 1.00 12.42 H new ATOM 0 HB3 PRO A 60 23.469 -19.085 -9.934 1.00 12.42 H new ATOM 0 HG2 PRO A 60 20.952 -17.866 -8.799 1.00 1.45 H new ATOM 0 HG3 PRO A 60 22.398 -18.380 -7.952 1.00 1.45 H new ATOM 0 HD2 PRO A 60 22.001 -15.761 -8.610 1.00 2.10 H new ATOM 0 HD3 PRO A 60 23.612 -16.451 -8.574 1.00 2.10 H new ATOM 888 N ILE A 61 20.868 -18.430 -12.903 1.00 53.30 N ATOM 889 CA ILE A 61 19.591 -18.500 -13.629 1.00 71.13 C ATOM 890 C ILE A 61 18.443 -18.983 -12.712 1.00 73.14 C ATOM 891 O ILE A 61 17.289 -18.627 -12.920 1.00 20.00 O ATOM 892 CB ILE A 61 19.734 -19.403 -14.922 1.00 53.53 C ATOM 893 CG1 ILE A 61 18.578 -19.184 -15.920 1.00 12.22 C ATOM 894 CG2 ILE A 61 19.819 -20.899 -14.546 1.00 62.32 C ATOM 895 CD1 ILE A 61 18.637 -17.864 -16.674 1.00 44.51 C ATOM 0 H ILE A 61 21.596 -19.040 -13.275 1.00 53.30 H new ATOM 0 HA ILE A 61 19.330 -17.493 -13.955 1.00 71.13 H new ATOM 0 HB ILE A 61 20.661 -19.100 -15.410 1.00 53.53 H new ATOM 0 HG12 ILE A 61 18.579 -20.001 -16.642 1.00 12.22 H new ATOM 0 HG13 ILE A 61 17.633 -19.237 -15.379 1.00 12.22 H new ATOM 0 HG21 ILE A 61 19.917 -21.497 -15.452 1.00 62.32 H new ATOM 0 HG22 ILE A 61 20.686 -21.065 -13.907 1.00 62.32 H new ATOM 0 HG23 ILE A 61 18.914 -21.192 -14.014 1.00 62.32 H new ATOM 0 HD11 ILE A 61 17.787 -17.794 -17.353 1.00 44.51 H new ATOM 0 HD12 ILE A 61 18.603 -17.038 -15.964 1.00 44.51 H new ATOM 0 HD13 ILE A 61 19.563 -17.813 -17.246 1.00 44.51 H new ATOM 907 N ARG A 62 18.772 -19.707 -11.645 1.00 24.02 N ATOM 908 CA ARG A 62 17.766 -20.147 -10.675 1.00 11.23 C ATOM 909 C ARG A 62 17.106 -18.958 -9.997 1.00 51.34 C ATOM 910 O ARG A 62 15.936 -18.995 -9.685 1.00 25.11 O ATOM 911 CB ARG A 62 18.381 -21.000 -9.569 1.00 11.43 C ATOM 912 CG ARG A 62 18.773 -22.405 -9.969 1.00 64.03 C ATOM 913 CD ARG A 62 19.103 -23.189 -8.705 1.00 31.00 C ATOM 914 NE ARG A 62 19.460 -24.588 -8.997 1.00 62.34 N ATOM 915 CZ ARG A 62 19.738 -25.514 -8.086 1.00 73.11 C ATOM 916 NH1 ARG A 62 19.738 -25.251 -6.801 1.00 32.14 N ATOM 917 NH2 ARG A 62 20.021 -26.723 -8.484 1.00 0.23 N ATOM 0 H ARG A 62 19.724 -20.002 -11.428 1.00 24.02 H new ATOM 0 HA ARG A 62 17.038 -20.729 -11.240 1.00 11.23 H new ATOM 0 HB2 ARG A 62 19.266 -20.489 -9.190 1.00 11.43 H new ATOM 0 HB3 ARG A 62 17.671 -21.061 -8.744 1.00 11.43 H new ATOM 0 HG2 ARG A 62 17.960 -22.886 -10.512 1.00 64.03 H new ATOM 0 HG3 ARG A 62 19.634 -22.383 -10.638 1.00 64.03 H new ATOM 0 HD2 ARG A 62 19.930 -22.706 -8.185 1.00 31.00 H new ATOM 0 HD3 ARG A 62 18.246 -23.167 -8.031 1.00 31.00 H new ATOM 0 HE ARG A 62 19.497 -24.868 -9.977 1.00 62.34 H new ATOM 0 HH11 ARG A 62 19.520 -24.310 -6.473 1.00 32.14 H new ATOM 0 HH12 ARG A 62 19.956 -25.987 -6.130 1.00 32.14 H new ATOM 0 HH21 ARG A 62 20.026 -26.944 -9.480 1.00 0.23 H new ATOM 0 HH22 ARG A 62 20.237 -27.448 -7.800 1.00 0.23 H new ATOM 931 N GLN A 63 17.884 -17.928 -9.737 1.00 62.22 N ATOM 932 CA GLN A 63 17.381 -16.748 -9.059 1.00 12.13 C ATOM 933 C GLN A 63 16.540 -15.939 -10.021 1.00 53.21 C ATOM 934 O GLN A 63 15.523 -15.403 -9.637 1.00 3.10 O ATOM 935 CB GLN A 63 18.547 -15.910 -8.538 1.00 24.24 C ATOM 936 CG GLN A 63 18.129 -14.755 -7.635 1.00 4.24 C ATOM 937 CD GLN A 63 17.534 -15.219 -6.329 1.00 11.15 C ATOM 938 OE1 GLN A 63 16.329 -15.238 -6.151 1.00 22.11 O ATOM 939 NE2 GLN A 63 18.384 -15.580 -5.399 1.00 52.50 N ATOM 0 H GLN A 63 18.872 -17.883 -9.986 1.00 62.22 H new ATOM 0 HA GLN A 63 16.765 -17.048 -8.211 1.00 12.13 H new ATOM 0 HB2 GLN A 63 19.229 -16.558 -7.988 1.00 24.24 H new ATOM 0 HB3 GLN A 63 19.102 -15.511 -9.387 1.00 24.24 H new ATOM 0 HG2 GLN A 63 18.996 -14.127 -7.431 1.00 4.24 H new ATOM 0 HG3 GLN A 63 17.403 -14.134 -8.160 1.00 4.24 H new ATOM 0 HE21 GLN A 63 19.386 -15.551 -5.585 1.00 52.50 H new ATOM 0 HE22 GLN A 63 18.043 -15.890 -4.489 1.00 52.50 H new ATOM 948 N LEU A 64 16.928 -15.909 -11.284 1.00 53.33 N ATOM 949 CA LEU A 64 16.175 -15.188 -12.314 1.00 62.31 C ATOM 950 C LEU A 64 14.762 -15.754 -12.458 1.00 3.12 C ATOM 951 O LEU A 64 13.830 -15.010 -12.680 1.00 31.34 O ATOM 952 CB LEU A 64 16.913 -15.256 -13.654 1.00 3.32 C ATOM 953 CG LEU A 64 17.157 -13.895 -14.346 1.00 21.12 C ATOM 954 CD1 LEU A 64 18.109 -14.082 -15.517 1.00 45.13 C ATOM 955 CD2 LEU A 64 15.852 -13.270 -14.838 1.00 4.42 C ATOM 0 H LEU A 64 17.766 -16.377 -11.630 1.00 53.33 H new ATOM 0 HA LEU A 64 16.093 -14.145 -12.008 1.00 62.31 H new ATOM 0 HB2 LEU A 64 17.876 -15.741 -13.495 1.00 3.32 H new ATOM 0 HB3 LEU A 64 16.343 -15.892 -14.331 1.00 3.32 H new ATOM 0 HG LEU A 64 17.596 -13.219 -13.613 1.00 21.12 H new ATOM 0 HD11 LEU A 64 18.280 -13.122 -16.004 1.00 45.13 H new ATOM 0 HD12 LEU A 64 19.057 -14.479 -15.155 1.00 45.13 H new ATOM 0 HD13 LEU A 64 17.673 -14.779 -16.233 1.00 45.13 H new ATOM 0 HD21 LEU A 64 16.064 -12.315 -15.318 1.00 4.42 H new ATOM 0 HD22 LEU A 64 15.376 -13.939 -15.555 1.00 4.42 H new ATOM 0 HD23 LEU A 64 15.184 -13.110 -13.992 1.00 4.42 H new ATOM 967 N PHE A 65 14.598 -17.059 -12.271 1.00 12.20 N ATOM 968 CA PHE A 65 13.266 -17.657 -12.339 1.00 32.41 C ATOM 969 C PHE A 65 12.365 -17.150 -11.213 1.00 43.41 C ATOM 970 O PHE A 65 11.160 -17.058 -11.382 1.00 73.43 O ATOM 971 CB PHE A 65 13.341 -19.193 -12.279 1.00 31.13 C ATOM 972 CG PHE A 65 14.110 -19.818 -13.432 1.00 22.22 C ATOM 973 CD1 PHE A 65 13.985 -19.331 -14.755 1.00 64.45 C ATOM 974 CD2 PHE A 65 14.965 -20.904 -13.195 1.00 32.42 C ATOM 975 CE1 PHE A 65 14.706 -19.935 -15.820 1.00 14.11 C ATOM 976 CE2 PHE A 65 15.691 -21.512 -14.254 1.00 32.03 C ATOM 977 CZ PHE A 65 15.548 -21.030 -15.563 1.00 33.50 C ATOM 0 H PHE A 65 15.354 -17.715 -12.075 1.00 12.20 H new ATOM 0 HA PHE A 65 12.835 -17.358 -13.295 1.00 32.41 H new ATOM 0 HB2 PHE A 65 13.810 -19.488 -11.340 1.00 31.13 H new ATOM 0 HB3 PHE A 65 12.328 -19.596 -12.270 1.00 31.13 H new ATOM 0 HD1 PHE A 65 13.335 -18.492 -14.957 1.00 64.45 H new ATOM 0 HD2 PHE A 65 15.073 -21.285 -12.190 1.00 32.42 H new ATOM 0 HE1 PHE A 65 14.607 -19.553 -16.825 1.00 14.11 H new ATOM 0 HE2 PHE A 65 16.351 -22.343 -14.052 1.00 32.03 H new ATOM 0 HZ PHE A 65 16.085 -21.500 -16.373 1.00 33.50 H new ATOM 987 N SER A 66 12.941 -16.807 -10.069 1.00 62.11 N ATOM 988 CA SER A 66 12.178 -16.248 -8.963 1.00 31.24 C ATOM 989 C SER A 66 12.122 -14.717 -9.048 1.00 22.01 C ATOM 990 O SER A 66 11.473 -14.058 -8.223 1.00 42.15 O ATOM 991 CB SER A 66 12.825 -16.644 -7.630 1.00 50.21 C ATOM 992 OG SER A 66 12.016 -16.248 -6.536 1.00 64.53 O ATOM 0 H SER A 66 13.939 -16.907 -9.883 1.00 62.11 H new ATOM 0 HA SER A 66 11.164 -16.644 -9.023 1.00 31.24 H new ATOM 0 HB2 SER A 66 12.978 -17.723 -7.602 1.00 50.21 H new ATOM 0 HB3 SER A 66 13.808 -16.180 -7.547 1.00 50.21 H new ATOM 0 HG SER A 66 11.470 -15.477 -6.795 1.00 64.53 H new ATOM 998 N SER A 67 12.895 -14.163 -9.967 1.00 42.42 N ATOM 999 CA SER A 67 13.089 -12.715 -10.093 1.00 3.30 C ATOM 1000 C SER A 67 12.979 -12.266 -11.559 1.00 41.40 C ATOM 1001 O SER A 67 13.981 -11.830 -12.134 1.00 43.21 O ATOM 1002 CB SER A 67 14.493 -12.384 -9.561 1.00 24.03 C ATOM 1003 OG SER A 67 14.668 -12.840 -8.219 1.00 43.10 O ATOM 0 H SER A 67 13.414 -14.705 -10.657 1.00 42.42 H new ATOM 0 HA SER A 67 12.318 -12.193 -9.526 1.00 3.30 H new ATOM 0 HB2 SER A 67 15.244 -12.844 -10.203 1.00 24.03 H new ATOM 0 HB3 SER A 67 14.654 -11.307 -9.604 1.00 24.03 H new ATOM 0 HG SER A 67 14.952 -13.778 -8.227 1.00 43.10 H new ATOM 1009 N PRO A 68 11.810 -12.452 -12.196 1.00 10.22 N ATOM 1010 CA PRO A 68 11.734 -12.200 -13.639 1.00 2.32 C ATOM 1011 C PRO A 68 11.610 -10.733 -14.074 1.00 51.04 C ATOM 1012 O PRO A 68 11.735 -10.433 -15.254 1.00 13.54 O ATOM 1013 CB PRO A 68 10.469 -12.959 -14.034 1.00 3.25 C ATOM 1014 CG PRO A 68 9.597 -12.815 -12.855 1.00 11.00 C ATOM 1015 CD PRO A 68 10.522 -12.980 -11.687 1.00 63.03 C ATOM 0 HA PRO A 68 12.663 -12.511 -14.118 1.00 2.32 H new ATOM 0 HB2 PRO A 68 10.009 -12.535 -14.927 1.00 3.25 H new ATOM 0 HB3 PRO A 68 10.681 -14.006 -14.251 1.00 3.25 H new ATOM 0 HG2 PRO A 68 9.107 -11.842 -12.840 1.00 11.00 H new ATOM 0 HG3 PRO A 68 8.810 -13.569 -12.848 1.00 11.00 H new ATOM 0 HD2 PRO A 68 10.175 -12.423 -10.817 1.00 63.03 H new ATOM 0 HD3 PRO A 68 10.606 -14.024 -11.385 1.00 63.03 H new ATOM 1023 N THR A 69 11.325 -9.834 -13.142 1.00 2.31 N ATOM 1024 CA THR A 69 11.156 -8.406 -13.432 1.00 33.12 C ATOM 1025 C THR A 69 12.417 -7.652 -12.993 1.00 60.01 C ATOM 1026 O THR A 69 13.176 -8.160 -12.152 1.00 13.24 O ATOM 1027 CB THR A 69 9.953 -7.840 -12.620 1.00 74.11 C ATOM 1028 OG1 THR A 69 10.183 -8.044 -11.229 1.00 52.24 O ATOM 1029 CG2 THR A 69 8.655 -8.558 -12.963 1.00 11.32 C ATOM 0 H THR A 69 11.203 -10.070 -12.157 1.00 2.31 H new ATOM 0 HA THR A 69 10.980 -8.280 -14.500 1.00 33.12 H new ATOM 0 HB THR A 69 9.865 -6.782 -12.869 1.00 74.11 H new ATOM 0 HG1 THR A 69 9.428 -7.687 -10.717 1.00 52.24 H new ATOM 0 HG21 THR A 69 7.839 -8.135 -12.377 1.00 11.32 H new ATOM 0 HG22 THR A 69 8.441 -8.435 -14.025 1.00 11.32 H new ATOM 0 HG23 THR A 69 8.755 -9.619 -12.734 1.00 11.32 H new ATOM 1037 N PRO A 70 12.637 -6.403 -13.473 1.00 35.44 N ATOM 1038 CA PRO A 70 13.806 -5.673 -12.911 1.00 43.14 C ATOM 1039 C PRO A 70 13.787 -5.536 -11.393 1.00 1.15 C ATOM 1040 O PRO A 70 14.839 -5.633 -10.772 1.00 41.12 O ATOM 1041 CB PRO A 70 13.707 -4.266 -13.598 1.00 20.44 C ATOM 1042 CG PRO A 70 12.896 -4.521 -14.797 1.00 25.33 C ATOM 1043 CD PRO A 70 11.917 -5.600 -14.466 1.00 65.03 C ATOM 0 HA PRO A 70 14.735 -6.209 -13.106 1.00 43.14 H new ATOM 0 HB2 PRO A 70 13.235 -3.533 -12.944 1.00 20.44 H new ATOM 0 HB3 PRO A 70 14.692 -3.876 -13.856 1.00 20.44 H new ATOM 0 HG2 PRO A 70 12.375 -3.615 -15.106 1.00 25.33 H new ATOM 0 HG3 PRO A 70 13.531 -4.824 -15.630 1.00 25.33 H new ATOM 0 HD2 PRO A 70 10.990 -5.194 -14.062 1.00 65.03 H new ATOM 0 HD3 PRO A 70 11.651 -6.188 -15.345 1.00 65.03 H new ATOM 1051 N ALA A 71 12.618 -5.294 -10.815 1.00 0.15 N ATOM 1052 CA ALA A 71 12.531 -5.159 -9.398 1.00 54.13 C ATOM 1053 C ALA A 71 12.929 -6.456 -8.677 1.00 44.01 C ATOM 1054 O ALA A 71 13.638 -6.472 -7.676 1.00 10.03 O ATOM 1055 CB ALA A 71 11.094 -4.760 -8.979 1.00 13.50 C ATOM 0 H ALA A 71 11.734 -5.191 -11.314 1.00 0.15 H new ATOM 0 HA ALA A 71 13.230 -4.375 -9.106 1.00 54.13 H new ATOM 0 HB1 ALA A 71 11.045 -4.661 -7.895 1.00 13.50 H new ATOM 0 HB2 ALA A 71 10.831 -3.809 -9.442 1.00 13.50 H new ATOM 0 HB3 ALA A 71 10.393 -5.529 -9.305 1.00 13.50 H new ATOM 1061 N GLY A 72 12.564 -7.583 -9.285 1.00 54.10 N ATOM 1062 CA GLY A 72 12.966 -8.880 -8.779 1.00 32.35 C ATOM 1063 C GLY A 72 14.470 -9.069 -8.787 1.00 72.50 C ATOM 1064 O GLY A 72 15.042 -9.501 -7.788 1.00 22.33 O ATOM 0 H GLY A 72 11.991 -7.617 -10.128 1.00 54.10 H new ATOM 0 HA2 GLY A 72 12.594 -9.000 -7.761 1.00 32.35 H new ATOM 0 HA3 GLY A 72 12.502 -9.661 -9.382 1.00 32.35 H new ATOM 1068 N VAL A 73 15.124 -8.735 -9.879 1.00 64.21 N ATOM 1069 CA VAL A 73 16.574 -8.910 -9.956 1.00 24.23 C ATOM 1070 C VAL A 73 17.246 -7.941 -8.967 1.00 64.11 C ATOM 1071 O VAL A 73 18.242 -8.295 -8.338 1.00 22.51 O ATOM 1072 CB VAL A 73 17.129 -8.697 -11.421 1.00 35.15 C ATOM 1073 CG1 VAL A 73 18.643 -8.939 -11.458 1.00 24.01 C ATOM 1074 CG2 VAL A 73 16.450 -9.664 -12.402 1.00 2.32 C ATOM 0 H VAL A 73 14.691 -8.347 -10.717 1.00 64.21 H new ATOM 0 HA VAL A 73 16.811 -9.939 -9.687 1.00 24.23 H new ATOM 0 HB VAL A 73 16.913 -7.670 -11.715 1.00 35.15 H new ATOM 0 HG11 VAL A 73 19.011 -8.789 -12.473 1.00 24.01 H new ATOM 0 HG12 VAL A 73 19.140 -8.240 -10.785 1.00 24.01 H new ATOM 0 HG13 VAL A 73 18.856 -9.960 -11.142 1.00 24.01 H new ATOM 0 HG21 VAL A 73 16.845 -9.502 -13.405 1.00 2.32 H new ATOM 0 HG22 VAL A 73 16.648 -10.691 -12.096 1.00 2.32 H new ATOM 0 HG23 VAL A 73 15.375 -9.486 -12.403 1.00 2.32 H new ATOM 1084 N ALA A 74 16.674 -6.760 -8.779 1.00 61.42 N ATOM 1085 CA ALA A 74 17.250 -5.785 -7.845 1.00 42.34 C ATOM 1086 C ALA A 74 17.196 -6.253 -6.387 1.00 2.11 C ATOM 1087 O ALA A 74 18.169 -6.094 -5.665 1.00 20.42 O ATOM 1088 CB ALA A 74 16.529 -4.452 -7.990 1.00 2.42 C ATOM 0 H ALA A 74 15.824 -6.451 -9.250 1.00 61.42 H new ATOM 0 HA ALA A 74 18.303 -5.675 -8.102 1.00 42.34 H new ATOM 0 HB1 ALA A 74 16.958 -3.729 -7.296 1.00 2.42 H new ATOM 0 HB2 ALA A 74 16.642 -4.086 -9.011 1.00 2.42 H new ATOM 0 HB3 ALA A 74 15.470 -4.585 -7.767 1.00 2.42 H new ATOM 1094 N ARG A 75 16.082 -6.833 -5.939 1.00 31.50 N ATOM 1095 CA ARG A 75 16.002 -7.322 -4.552 1.00 61.00 C ATOM 1096 C ARG A 75 16.953 -8.493 -4.355 1.00 45.44 C ATOM 1097 O ARG A 75 17.526 -8.662 -3.279 1.00 63.51 O ATOM 1098 CB ARG A 75 14.563 -7.692 -4.150 1.00 34.33 C ATOM 1099 CG ARG A 75 13.933 -8.824 -4.945 1.00 13.11 C ATOM 1100 CD ARG A 75 12.604 -9.259 -4.366 1.00 12.24 C ATOM 1101 NE ARG A 75 12.039 -10.391 -5.133 1.00 51.33 N ATOM 1102 CZ ARG A 75 12.351 -11.675 -4.955 1.00 73.53 C ATOM 1103 NH1 ARG A 75 13.207 -12.076 -4.051 1.00 25.32 N ATOM 1104 NH2 ARG A 75 11.800 -12.575 -5.708 1.00 20.42 N ATOM 0 H ARG A 75 15.239 -6.976 -6.496 1.00 31.50 H new ATOM 0 HA ARG A 75 16.308 -6.510 -3.892 1.00 61.00 H new ATOM 0 HB2 ARG A 75 14.558 -7.965 -3.095 1.00 34.33 H new ATOM 0 HB3 ARG A 75 13.936 -6.806 -4.253 1.00 34.33 H new ATOM 0 HG2 ARG A 75 13.791 -8.505 -5.978 1.00 13.11 H new ATOM 0 HG3 ARG A 75 14.614 -9.675 -4.965 1.00 13.11 H new ATOM 0 HD2 ARG A 75 12.735 -9.550 -3.324 1.00 12.24 H new ATOM 0 HD3 ARG A 75 11.906 -8.422 -4.378 1.00 12.24 H new ATOM 0 HE ARG A 75 11.355 -10.171 -5.857 1.00 51.33 H new ATOM 0 HH11 ARG A 75 13.667 -11.395 -3.446 1.00 25.32 H new ATOM 0 HH12 ARG A 75 13.415 -13.070 -3.951 1.00 25.32 H new ATOM 0 HH21 ARG A 75 11.134 -12.298 -6.429 1.00 20.42 H new ATOM 0 HH22 ARG A 75 12.033 -13.560 -5.579 1.00 20.42 H new