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= -0.0887 X(o=-0.059,f=0.096) USER MOD Set 1.2: A 67 SER OG : rot -169:sc= 0.03 USER MOD Single : A 11 THR OG1 : rot 94:sc= 0.0785 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 73:sc= 0.524 USER MOD Single : A 19 TYR OH : rot -164:sc= 1.2 USER MOD Single : A 35 HIS : no HE2:sc= 1.27 K(o=1.3,f=-4.5!) 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 -171:sc= 0 (180deg=-0.0699) USER MOD Single : A 66 SER OG : rot 84:sc= 0.168 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N ALA A 10 13.556 2.748 -7.814 1.00 43.21 N ATOM 118 CA ALA A 10 13.912 3.607 -8.945 1.00 11.42 C ATOM 119 C ALA A 10 14.776 2.874 -9.982 1.00 5.23 C ATOM 120 O ALA A 10 14.661 3.111 -11.175 1.00 34.22 O ATOM 121 CB ALA A 10 14.647 4.854 -8.440 1.00 14.33 C ATOM 0 HA ALA A 10 12.985 3.898 -9.440 1.00 11.42 H new ATOM 0 HB1 ALA A 10 14.909 5.489 -9.286 1.00 14.33 H new ATOM 0 HB2 ALA A 10 14.000 5.406 -7.758 1.00 14.33 H new ATOM 0 HB3 ALA A 10 15.555 4.554 -7.916 1.00 14.33 H new ATOM 127 N THR A 11 15.634 1.978 -9.516 1.00 61.20 N ATOM 128 CA THR A 11 16.548 1.214 -10.384 1.00 12.40 C ATOM 129 C THR A 11 15.779 0.387 -11.429 1.00 42.44 C ATOM 130 O THR A 11 16.304 0.069 -12.467 1.00 40.11 O ATOM 131 CB THR A 11 17.399 0.257 -9.569 1.00 65.13 C ATOM 132 OG1 THR A 11 17.582 0.813 -8.259 1.00 14.23 O ATOM 133 CG2 THR A 11 18.759 0.017 -10.205 1.00 51.03 C ATOM 0 H THR A 11 15.724 1.753 -8.525 1.00 61.20 H new ATOM 0 HA THR A 11 17.179 1.947 -10.888 1.00 12.40 H new ATOM 0 HB THR A 11 16.884 -0.703 -9.522 1.00 65.13 H new ATOM 0 HG1 THR A 11 16.896 0.459 -7.655 1.00 14.23 H new ATOM 0 HG21 THR A 11 19.333 -0.674 -9.587 1.00 51.03 H new ATOM 0 HG22 THR A 11 18.626 -0.410 -11.199 1.00 51.03 H new ATOM 0 HG23 THR A 11 19.295 0.963 -10.286 1.00 51.03 H new ATOM 141 N GLU A 12 14.544 0.020 -11.109 1.00 12.33 N ATOM 142 CA GLU A 12 13.756 -0.790 -12.000 1.00 42.22 C ATOM 143 C GLU A 12 13.610 -0.161 -13.354 1.00 71.13 C ATOM 144 O GLU A 12 13.610 -0.864 -14.369 1.00 3.11 O ATOM 145 CB GLU A 12 12.390 -1.001 -11.377 1.00 71.41 C ATOM 146 CG GLU A 12 12.476 -1.668 -10.011 1.00 2.02 C ATOM 147 CD GLU A 12 11.174 -1.856 -9.294 1.00 34.12 C ATOM 148 OE1 GLU A 12 10.106 -1.460 -9.806 1.00 64.03 O ATOM 149 OE2 GLU A 12 11.243 -2.293 -8.141 1.00 75.34 O ATOM 0 H GLU A 12 14.077 0.275 -10.239 1.00 12.33 H new ATOM 0 HA GLU A 12 14.265 -1.743 -12.144 1.00 42.22 H new ATOM 0 HB2 GLU A 12 11.885 -0.040 -11.279 1.00 71.41 H new ATOM 0 HB3 GLU A 12 11.781 -1.614 -12.041 1.00 71.41 H new ATOM 0 HG2 GLU A 12 12.946 -2.644 -10.133 1.00 2.02 H new ATOM 0 HG3 GLU A 12 13.135 -1.074 -9.378 1.00 2.02 H new ATOM 156 N LYS A 13 13.573 1.180 -13.411 1.00 32.40 N ATOM 157 CA LYS A 13 13.432 1.868 -14.692 1.00 33.31 C ATOM 158 C LYS A 13 14.639 1.660 -15.575 1.00 21.34 C ATOM 159 O LYS A 13 14.515 1.653 -16.775 1.00 61.53 O ATOM 160 CB LYS A 13 13.152 3.343 -14.434 1.00 34.03 C ATOM 161 CG LYS A 13 14.423 4.194 -14.254 1.00 42.02 C ATOM 162 CD LYS A 13 14.117 5.593 -13.767 1.00 3.33 C ATOM 163 CE LYS A 13 13.489 6.443 -14.889 1.00 64.34 C ATOM 164 NZ LYS A 13 13.356 7.891 -14.494 1.00 73.24 N ATOM 0 H LYS A 13 13.638 1.794 -12.599 1.00 32.40 H new ATOM 0 HA LYS A 13 12.590 1.443 -15.238 1.00 33.31 H new ATOM 0 HB2 LYS A 13 12.572 3.744 -15.265 1.00 34.03 H new ATOM 0 HB3 LYS A 13 12.534 3.435 -13.541 1.00 34.03 H new ATOM 0 HG2 LYS A 13 15.088 3.703 -13.544 1.00 42.02 H new ATOM 0 HG3 LYS A 13 14.956 4.251 -15.203 1.00 42.02 H new ATOM 0 HD2 LYS A 13 13.436 5.545 -12.917 1.00 3.33 H new ATOM 0 HD3 LYS A 13 15.033 6.068 -13.415 1.00 3.33 H new ATOM 0 HE2 LYS A 13 14.102 6.367 -15.787 1.00 64.34 H new ATOM 0 HE3 LYS A 13 12.506 6.044 -15.139 1.00 64.34 H new ATOM 0 HZ1 LYS A 13 12.929 8.427 -15.277 1.00 73.24 H new ATOM 0 HZ2 LYS A 13 12.750 7.967 -13.652 1.00 73.24 H new ATOM 0 HZ3 LYS A 13 14.296 8.280 -14.280 1.00 73.24 H new ATOM 178 N VAL A 14 15.819 1.579 -14.969 1.00 74.35 N ATOM 179 CA VAL A 14 17.059 1.467 -15.743 1.00 2.51 C ATOM 180 C VAL A 14 17.086 0.041 -16.257 1.00 12.30 C ATOM 181 O VAL A 14 17.449 -0.195 -17.393 1.00 34.50 O ATOM 182 CB VAL A 14 18.335 1.913 -14.942 1.00 12.31 C ATOM 183 CG1 VAL A 14 18.012 3.009 -13.907 1.00 24.40 C ATOM 184 CG2 VAL A 14 19.002 0.775 -14.206 1.00 3.42 C ATOM 0 H VAL A 14 15.947 1.588 -13.957 1.00 74.35 H new ATOM 0 HA VAL A 14 17.078 2.163 -16.581 1.00 2.51 H new ATOM 0 HB VAL A 14 19.015 2.296 -15.703 1.00 12.31 H new ATOM 0 HG11 VAL A 14 18.922 3.288 -13.376 1.00 24.40 H new ATOM 0 HG12 VAL A 14 17.607 3.883 -14.417 1.00 24.40 H new ATOM 0 HG13 VAL A 14 17.278 2.632 -13.195 1.00 24.40 H new ATOM 0 HG21 VAL A 14 19.876 1.149 -13.673 1.00 3.42 H new ATOM 0 HG22 VAL A 14 18.300 0.342 -13.493 1.00 3.42 H new ATOM 0 HG23 VAL A 14 19.311 0.012 -14.920 1.00 3.42 H new ATOM 194 N LEU A 15 16.669 -0.910 -15.448 1.00 44.14 N ATOM 195 CA LEU A 15 16.693 -2.325 -15.810 1.00 14.14 C ATOM 196 C LEU A 15 15.671 -2.604 -16.915 1.00 15.33 C ATOM 197 O LEU A 15 15.990 -3.257 -17.905 1.00 22.35 O ATOM 198 CB LEU A 15 16.375 -3.158 -14.578 1.00 33.24 C ATOM 199 CG LEU A 15 17.421 -3.026 -13.479 1.00 2.32 C ATOM 200 CD1 LEU A 15 16.804 -3.400 -12.169 1.00 20.43 C ATOM 201 CD2 LEU A 15 18.625 -3.896 -13.727 1.00 54.25 C ATOM 0 H LEU A 15 16.301 -0.730 -14.514 1.00 44.14 H new ATOM 0 HA LEU A 15 17.683 -2.589 -16.182 1.00 14.14 H new ATOM 0 HB2 LEU A 15 15.404 -2.857 -14.185 1.00 33.24 H new ATOM 0 HB3 LEU A 15 16.291 -4.206 -14.867 1.00 33.24 H new ATOM 0 HG LEU A 15 17.761 -1.990 -13.467 1.00 2.32 H new ATOM 0 HD11 LEU A 15 17.547 -3.308 -11.377 1.00 20.43 H new ATOM 0 HD12 LEU A 15 15.966 -2.736 -11.959 1.00 20.43 H new ATOM 0 HD13 LEU A 15 16.449 -4.429 -12.215 1.00 20.43 H new ATOM 0 HD21 LEU A 15 19.341 -3.766 -12.916 1.00 54.25 H new ATOM 0 HD22 LEU A 15 18.316 -4.940 -13.774 1.00 54.25 H new ATOM 0 HD23 LEU A 15 19.091 -3.612 -14.671 1.00 54.25 H new ATOM 213 N CYS A 16 14.496 -2.001 -16.813 1.00 21.32 N ATOM 214 CA CYS A 16 13.546 -2.074 -17.901 1.00 61.24 C ATOM 215 C CYS A 16 14.155 -1.552 -19.202 1.00 51.34 C ATOM 216 O CYS A 16 13.857 -2.072 -20.294 1.00 42.03 O ATOM 217 CB CYS A 16 12.283 -1.237 -17.565 1.00 34.13 C ATOM 218 SG CYS A 16 11.346 -1.883 -16.149 1.00 43.14 S ATOM 0 H CYS A 16 14.186 -1.466 -16.002 1.00 21.32 H new ATOM 0 HA CYS A 16 13.274 -3.121 -18.033 1.00 61.24 H new ATOM 0 HB2 CYS A 16 12.582 -0.210 -17.355 1.00 34.13 H new ATOM 0 HB3 CYS A 16 11.632 -1.208 -18.439 1.00 34.13 H new ATOM 0 HG CYS A 16 11.993 -1.632 -15.050 1.00 43.14 H new ATOM 224 N ALA A 17 14.934 -0.485 -19.150 1.00 71.35 N ATOM 225 CA ALA A 17 15.458 0.097 -20.377 1.00 74.13 C ATOM 226 C ALA A 17 16.531 -0.801 -20.992 1.00 60.12 C ATOM 227 O ALA A 17 16.547 -1.040 -22.189 1.00 61.33 O ATOM 228 CB ALA A 17 16.056 1.475 -20.071 1.00 13.15 C ATOM 0 H ALA A 17 15.214 -0.011 -18.291 1.00 71.35 H new ATOM 0 HA ALA A 17 14.641 0.196 -21.092 1.00 74.13 H new ATOM 0 HB1 ALA A 17 16.449 1.913 -20.988 1.00 13.15 H new ATOM 0 HB2 ALA A 17 15.282 2.125 -19.661 1.00 13.15 H new ATOM 0 HB3 ALA A 17 16.862 1.369 -19.345 1.00 13.15 H new ATOM 234 N LEU A 18 17.301 -1.347 -20.092 1.00 50.42 N ATOM 235 CA LEU A 18 18.354 -2.260 -20.414 1.00 23.24 C ATOM 236 C LEU A 18 17.822 -3.551 -21.059 1.00 62.54 C ATOM 237 O LEU A 18 18.396 -4.068 -22.031 1.00 24.11 O ATOM 238 CB LEU A 18 19.087 -2.671 -19.110 1.00 34.20 C ATOM 239 CG LEU A 18 20.513 -2.025 -18.871 1.00 44.45 C ATOM 240 CD1 LEU A 18 21.439 -2.301 -20.022 1.00 41.42 C ATOM 241 CD2 LEU A 18 20.450 -0.565 -18.586 1.00 64.04 C ATOM 0 H LEU A 18 17.209 -1.163 -19.093 1.00 50.42 H new ATOM 0 HA LEU A 18 19.016 -1.754 -21.116 1.00 23.24 H new ATOM 0 HB2 LEU A 18 18.449 -2.414 -18.264 1.00 34.20 H new ATOM 0 HB3 LEU A 18 19.198 -3.755 -19.108 1.00 34.20 H new ATOM 0 HG LEU A 18 20.915 -2.504 -17.978 1.00 44.45 H new ATOM 0 HD11 LEU A 18 22.409 -1.844 -19.826 1.00 41.42 H new ATOM 0 HD12 LEU A 18 21.562 -3.378 -20.140 1.00 41.42 H new ATOM 0 HD13 LEU A 18 21.018 -1.882 -20.936 1.00 41.42 H new ATOM 0 HD21 LEU A 18 21.458 -0.181 -18.431 1.00 64.04 H new ATOM 0 HD22 LEU A 18 19.990 -0.049 -19.429 1.00 64.04 H new ATOM 0 HD23 LEU A 18 19.855 -0.395 -17.689 1.00 64.04 H new ATOM 253 N TYR A 19 16.657 -4.009 -20.620 1.00 71.22 N ATOM 254 CA TYR A 19 15.990 -5.161 -21.241 1.00 74.43 C ATOM 255 C TYR A 19 15.535 -4.756 -22.643 1.00 12.10 C ATOM 256 O TYR A 19 15.693 -5.511 -23.600 1.00 2.13 O ATOM 257 CB TYR A 19 14.741 -5.565 -20.438 1.00 5.11 C ATOM 258 CG TYR A 19 14.952 -6.382 -19.173 1.00 62.10 C ATOM 259 CD1 TYR A 19 16.117 -6.256 -18.377 1.00 31.25 C ATOM 260 CD2 TYR A 19 13.955 -7.289 -18.751 1.00 32.24 C ATOM 261 CE1 TYR A 19 16.265 -7.015 -17.184 1.00 25.33 C ATOM 262 CE2 TYR A 19 14.113 -8.053 -17.566 1.00 34.51 C ATOM 263 CZ TYR A 19 15.262 -7.903 -16.794 1.00 1.44 C ATOM 264 OH TYR A 19 15.404 -8.637 -15.647 1.00 74.10 O ATOM 0 H TYR A 19 16.148 -3.604 -19.835 1.00 71.22 H new ATOM 0 HA TYR A 19 16.687 -5.998 -21.270 1.00 74.43 H new ATOM 0 HB2 TYR A 19 14.208 -4.654 -20.165 1.00 5.11 H new ATOM 0 HB3 TYR A 19 14.085 -6.132 -21.099 1.00 5.11 H new ATOM 0 HD1 TYR A 19 16.900 -5.577 -18.679 1.00 31.25 H new ATOM 0 HD2 TYR A 19 13.057 -7.403 -19.340 1.00 32.24 H new ATOM 0 HE1 TYR A 19 17.153 -6.904 -16.580 1.00 25.33 H new ATOM 0 HE2 TYR A 19 13.344 -8.749 -17.264 1.00 34.51 H new ATOM 0 HH TYR A 19 14.761 -9.376 -15.650 1.00 74.10 H new ATOM 274 N ALA A 20 14.946 -3.571 -22.749 1.00 73.05 N ATOM 275 CA ALA A 20 14.390 -3.090 -24.011 1.00 20.30 C ATOM 276 C ALA A 20 15.420 -2.972 -25.132 1.00 54.32 C ATOM 277 O ALA A 20 15.106 -3.254 -26.276 1.00 71.41 O ATOM 278 CB ALA A 20 13.710 -1.727 -23.780 1.00 24.22 C ATOM 0 H ALA A 20 14.840 -2.920 -21.971 1.00 73.05 H new ATOM 0 HA ALA A 20 13.667 -3.836 -24.341 1.00 20.30 H new ATOM 0 HB1 ALA A 20 13.294 -1.364 -24.720 1.00 24.22 H new ATOM 0 HB2 ALA A 20 12.910 -1.839 -23.048 1.00 24.22 H new ATOM 0 HB3 ALA A 20 14.444 -1.012 -23.409 1.00 24.22 H new ATOM 284 N GLU A 21 16.646 -2.581 -24.805 1.00 34.20 N ATOM 285 CA GLU A 21 17.695 -2.436 -25.821 1.00 24.53 C ATOM 286 C GLU A 21 17.975 -3.766 -26.505 1.00 13.00 C ATOM 287 O GLU A 21 18.163 -3.843 -27.716 1.00 44.32 O ATOM 288 CB GLU A 21 19.009 -1.995 -25.180 1.00 73.22 C ATOM 289 CG GLU A 21 19.045 -0.577 -24.674 1.00 1.54 C ATOM 290 CD GLU A 21 20.394 -0.246 -24.065 1.00 11.40 C ATOM 291 OE1 GLU A 21 21.240 -1.163 -23.929 1.00 3.51 O ATOM 292 OE2 GLU A 21 20.627 0.928 -23.719 1.00 42.44 O ATOM 0 H GLU A 21 16.942 -2.359 -23.854 1.00 34.20 H new ATOM 0 HA GLU A 21 17.338 -1.696 -26.538 1.00 24.53 H new ATOM 0 HB2 GLU A 21 19.229 -2.664 -24.348 1.00 73.22 H new ATOM 0 HB3 GLU A 21 19.809 -2.121 -25.910 1.00 73.22 H new ATOM 0 HG2 GLU A 21 18.835 0.110 -25.494 1.00 1.54 H new ATOM 0 HG3 GLU A 21 18.262 -0.434 -23.929 1.00 1.54 H new ATOM 299 N ILE A 22 18.045 -4.808 -25.694 1.00 31.14 N ATOM 300 CA ILE A 22 18.414 -6.136 -26.166 1.00 11.22 C ATOM 301 C ILE A 22 17.232 -6.818 -26.848 1.00 13.44 C ATOM 302 O ILE A 22 17.405 -7.550 -27.830 1.00 21.02 O ATOM 303 CB ILE A 22 18.927 -7.005 -24.978 1.00 3.14 C ATOM 304 CG1 ILE A 22 20.199 -6.341 -24.395 1.00 2.05 C ATOM 305 CG2 ILE A 22 19.251 -8.452 -25.438 1.00 25.13 C ATOM 306 CD1 ILE A 22 20.739 -6.998 -23.141 1.00 52.45 C ATOM 0 H ILE A 22 17.849 -4.760 -24.694 1.00 31.14 H new ATOM 0 HA ILE A 22 19.215 -6.029 -26.898 1.00 11.22 H new ATOM 0 HB ILE A 22 18.147 -7.065 -24.219 1.00 3.14 H new ATOM 0 HG12 ILE A 22 20.978 -6.349 -25.157 1.00 2.05 H new ATOM 0 HG13 ILE A 22 19.979 -5.296 -24.175 1.00 2.05 H new ATOM 0 HG21 ILE A 22 19.606 -9.033 -24.587 1.00 25.13 H new ATOM 0 HG22 ILE A 22 18.351 -8.915 -25.843 1.00 25.13 H new ATOM 0 HG23 ILE A 22 20.023 -8.425 -26.207 1.00 25.13 H new ATOM 0 HD11 ILE A 22 21.629 -6.466 -22.806 1.00 52.45 H new ATOM 0 HD12 ILE A 22 19.981 -6.966 -22.358 1.00 52.45 H new ATOM 0 HD13 ILE A 22 20.996 -8.035 -23.356 1.00 52.45 H new ATOM 318 N LEU A 23 16.036 -6.608 -26.316 1.00 43.21 N ATOM 319 CA LEU A 23 14.853 -7.287 -26.835 1.00 32.11 C ATOM 320 C LEU A 23 14.229 -6.547 -28.015 1.00 60.11 C ATOM 321 O LEU A 23 13.379 -7.103 -28.711 1.00 40.53 O ATOM 322 CB LEU A 23 13.811 -7.461 -25.716 1.00 12.32 C ATOM 323 CG LEU A 23 13.935 -8.731 -24.838 1.00 10.11 C ATOM 324 CD1 LEU A 23 13.667 -9.982 -25.674 1.00 52.42 C ATOM 325 CD2 LEU A 23 15.277 -8.893 -24.132 1.00 74.45 C ATOM 0 H LEU A 23 15.858 -5.979 -25.533 1.00 43.21 H new ATOM 0 HA LEU A 23 15.174 -8.264 -27.196 1.00 32.11 H new ATOM 0 HB2 LEU A 23 13.865 -6.590 -25.063 1.00 12.32 H new ATOM 0 HB3 LEU A 23 12.820 -7.458 -26.171 1.00 12.32 H new ATOM 0 HG LEU A 23 13.185 -8.605 -24.057 1.00 10.11 H new ATOM 0 HD11 LEU A 23 13.758 -10.867 -25.044 1.00 52.42 H new ATOM 0 HD12 LEU A 23 12.660 -9.934 -26.089 1.00 52.42 H new ATOM 0 HD13 LEU A 23 14.392 -10.039 -26.486 1.00 52.42 H new ATOM 0 HD21 LEU A 23 15.269 -9.809 -23.542 1.00 74.45 H new ATOM 0 HD22 LEU A 23 16.074 -8.945 -24.873 1.00 74.45 H new ATOM 0 HD23 LEU A 23 15.448 -8.040 -23.475 1.00 74.45 H new ATOM 337 N GLY A 24 14.653 -5.313 -28.261 1.00 32.45 N ATOM 338 CA GLY A 24 14.132 -4.560 -29.394 1.00 63.01 C ATOM 339 C GLY A 24 12.701 -4.053 -29.223 1.00 75.40 C ATOM 340 O GLY A 24 11.969 -3.994 -30.196 1.00 35.31 O ATOM 0 H GLY A 24 15.346 -4.819 -27.700 1.00 32.45 H new ATOM 0 HA2 GLY A 24 14.785 -3.707 -29.577 1.00 63.01 H new ATOM 0 HA3 GLY A 24 14.175 -5.190 -30.282 1.00 63.01 H new ATOM 344 N VAL A 25 12.352 -3.672 -27.994 1.00 72.11 N ATOM 345 CA VAL A 25 11.026 -3.226 -27.687 1.00 72.54 C ATOM 346 C VAL A 25 11.008 -1.776 -27.277 1.00 14.03 C ATOM 347 O VAL A 25 12.017 -1.172 -26.946 1.00 53.50 O ATOM 348 CB VAL A 25 10.293 -3.987 -26.600 1.00 30.11 C ATOM 349 CG1 VAL A 25 10.252 -5.438 -26.979 1.00 23.21 C ATOM 350 CG2 VAL A 25 11.031 -3.900 -25.224 1.00 32.20 C ATOM 0 H VAL A 25 12.990 -3.670 -27.198 1.00 72.11 H new ATOM 0 HA VAL A 25 10.504 -3.406 -28.627 1.00 72.54 H new ATOM 0 HB VAL A 25 9.300 -3.549 -26.504 1.00 30.11 H new ATOM 0 HG11 VAL A 25 9.728 -6.001 -26.207 1.00 23.21 H new ATOM 0 HG12 VAL A 25 9.730 -5.551 -27.929 1.00 23.21 H new ATOM 0 HG13 VAL A 25 11.269 -5.817 -27.077 1.00 23.21 H new ATOM 0 HG21 VAL A 25 10.471 -4.459 -24.475 1.00 32.20 H new ATOM 0 HG22 VAL A 25 12.031 -4.323 -25.320 1.00 32.20 H new ATOM 0 HG23 VAL A 25 11.106 -2.857 -24.917 1.00 32.20 H new ATOM 360 N GLU A 26 9.801 -1.210 -27.264 1.00 63.50 N ATOM 361 CA GLU A 26 9.587 0.147 -26.962 1.00 22.21 C ATOM 362 C GLU A 26 9.372 0.328 -25.449 1.00 24.43 C ATOM 363 O GLU A 26 9.459 1.433 -24.901 1.00 11.15 O ATOM 364 CB GLU A 26 8.349 0.565 -27.735 1.00 3.40 C ATOM 365 CG GLU A 26 7.000 0.044 -27.260 1.00 11.41 C ATOM 366 CD GLU A 26 5.850 0.961 -27.631 1.00 21.44 C ATOM 367 OE1 GLU A 26 5.352 0.759 -28.728 1.00 11.25 O ATOM 368 OE2 GLU A 26 5.431 1.860 -26.826 1.00 12.50 O ATOM 0 H GLU A 26 8.944 -1.722 -27.473 1.00 63.50 H new ATOM 0 HA GLU A 26 10.446 0.758 -27.239 1.00 22.21 H new ATOM 0 HB2 GLU A 26 8.306 1.654 -27.733 1.00 3.40 H new ATOM 0 HB3 GLU A 26 8.481 0.253 -28.771 1.00 3.40 H new ATOM 0 HG2 GLU A 26 6.825 -0.942 -27.690 1.00 11.41 H new ATOM 0 HG3 GLU A 26 7.025 -0.080 -26.177 1.00 11.41 H new ATOM 375 N ARG A 27 9.080 -0.776 -24.752 1.00 73.55 N ATOM 376 CA ARG A 27 8.732 -0.721 -23.329 1.00 53.22 C ATOM 377 C ARG A 27 8.847 -2.069 -22.667 1.00 72.11 C ATOM 378 O ARG A 27 8.502 -3.077 -23.269 1.00 20.22 O ATOM 379 CB ARG A 27 7.280 -0.254 -23.227 1.00 63.24 C ATOM 380 CG ARG A 27 6.909 0.435 -21.906 1.00 62.33 C ATOM 381 CD ARG A 27 5.471 0.956 -21.973 1.00 71.44 C ATOM 382 NE ARG A 27 5.240 1.745 -23.198 1.00 3.23 N ATOM 383 CZ ARG A 27 4.101 2.330 -23.536 1.00 75.11 C ATOM 384 NH1 ARG A 27 3.044 2.300 -22.765 1.00 21.12 N ATOM 385 NH2 ARG A 27 4.018 2.948 -24.678 1.00 21.53 N ATOM 0 H ARG A 27 9.078 -1.715 -25.149 1.00 73.55 H new ATOM 0 HA ARG A 27 9.421 -0.042 -22.826 1.00 53.22 H new ATOM 0 HB2 ARG A 27 7.078 0.435 -24.047 1.00 63.24 H new ATOM 0 HB3 ARG A 27 6.627 -1.116 -23.365 1.00 63.24 H new ATOM 0 HG2 ARG A 27 7.012 -0.267 -21.079 1.00 62.33 H new ATOM 0 HG3 ARG A 27 7.595 1.260 -21.711 1.00 62.33 H new ATOM 0 HD2 ARG A 27 4.777 0.116 -21.943 1.00 71.44 H new ATOM 0 HD3 ARG A 27 5.265 1.572 -21.098 1.00 71.44 H new ATOM 0 HE ARG A 27 6.026 1.849 -23.840 1.00 3.23 H new ATOM 0 HH11 ARG A 27 3.080 1.814 -21.869 1.00 21.12 H new ATOM 0 HH12 ARG A 27 2.184 2.763 -23.060 1.00 21.12 H new ATOM 0 HH21 ARG A 27 4.825 2.978 -25.301 1.00 21.53 H new ATOM 0 HH22 ARG A 27 3.146 3.402 -24.950 1.00 21.53 H new ATOM 399 N VAL A 28 9.266 -2.062 -21.418 1.00 35.13 N ATOM 400 CA VAL A 28 9.341 -3.272 -20.604 1.00 75.20 C ATOM 401 C VAL A 28 8.728 -2.877 -19.267 1.00 71.04 C ATOM 402 O VAL A 28 9.020 -1.790 -18.746 1.00 61.32 O ATOM 403 CB VAL A 28 10.823 -3.731 -20.418 1.00 51.32 C ATOM 404 CG1 VAL A 28 10.954 -4.891 -19.446 1.00 15.21 C ATOM 405 CG2 VAL A 28 11.396 -4.150 -21.764 1.00 72.31 C ATOM 0 H VAL A 28 9.567 -1.217 -20.931 1.00 35.13 H new ATOM 0 HA VAL A 28 8.820 -4.109 -21.067 1.00 75.20 H new ATOM 0 HB VAL A 28 11.374 -2.886 -20.005 1.00 51.32 H new ATOM 0 HG11 VAL A 28 12.003 -5.171 -19.353 1.00 15.21 H new ATOM 0 HG12 VAL A 28 10.570 -4.593 -18.470 1.00 15.21 H new ATOM 0 HG13 VAL A 28 10.383 -5.742 -19.816 1.00 15.21 H new ATOM 0 HG21 VAL A 28 12.430 -4.470 -21.635 1.00 72.31 H new ATOM 0 HG22 VAL A 28 10.808 -4.974 -22.169 1.00 72.31 H new ATOM 0 HG23 VAL A 28 11.361 -3.306 -22.453 1.00 72.31 H new ATOM 415 N GLY A 29 7.857 -3.718 -18.736 1.00 55.23 N ATOM 416 CA GLY A 29 7.252 -3.477 -17.439 1.00 3.14 C ATOM 417 C GLY A 29 8.141 -4.067 -16.366 1.00 41.44 C ATOM 418 O GLY A 29 9.031 -4.855 -16.646 1.00 31.54 O ATOM 0 H GLY A 29 7.552 -4.580 -19.188 1.00 55.23 H new ATOM 0 HA2 GLY A 29 7.124 -2.407 -17.276 1.00 3.14 H new ATOM 0 HA3 GLY A 29 6.260 -3.927 -17.396 1.00 3.14 H new ATOM 422 N VAL A 30 7.898 -3.711 -15.117 1.00 52.33 N ATOM 423 CA VAL A 30 8.711 -4.240 -14.009 1.00 22.00 C ATOM 424 C VAL A 30 8.337 -5.686 -13.698 1.00 71.32 C ATOM 425 O VAL A 30 8.986 -6.354 -12.887 1.00 44.03 O ATOM 426 CB VAL A 30 8.580 -3.365 -12.744 1.00 55.01 C ATOM 427 CG1 VAL A 30 9.068 -1.967 -13.052 1.00 41.15 C ATOM 428 CG2 VAL A 30 7.123 -3.322 -12.221 1.00 62.25 C ATOM 0 H VAL A 30 7.158 -3.068 -14.835 1.00 52.33 H new ATOM 0 HA VAL A 30 9.753 -4.214 -14.329 1.00 22.00 H new ATOM 0 HB VAL A 30 9.192 -3.807 -11.958 1.00 55.01 H new ATOM 0 HG11 VAL A 30 8.977 -1.345 -12.161 1.00 41.15 H new ATOM 0 HG12 VAL A 30 10.112 -2.006 -13.362 1.00 41.15 H new ATOM 0 HG13 VAL A 30 8.467 -1.540 -13.855 1.00 41.15 H new ATOM 0 HG21 VAL A 30 7.075 -2.696 -11.330 1.00 62.25 H new ATOM 0 HG22 VAL A 30 6.472 -2.908 -12.991 1.00 62.25 H new ATOM 0 HG23 VAL A 30 6.795 -4.332 -11.973 1.00 62.25 H new ATOM 438 N ASP A 31 7.284 -6.136 -14.355 1.00 35.24 N ATOM 439 CA ASP A 31 6.716 -7.466 -14.214 1.00 53.23 C ATOM 440 C ASP A 31 7.003 -8.342 -15.444 1.00 30.51 C ATOM 441 O ASP A 31 6.790 -9.552 -15.412 1.00 41.12 O ATOM 442 CB ASP A 31 5.203 -7.343 -13.998 1.00 43.42 C ATOM 443 CG ASP A 31 4.486 -6.564 -15.117 1.00 32.41 C ATOM 444 OD1 ASP A 31 4.930 -5.440 -15.473 1.00 64.01 O ATOM 445 OD2 ASP A 31 3.415 -7.034 -15.553 1.00 24.12 O ATOM 0 H ASP A 31 6.779 -5.561 -15.030 1.00 35.24 H new ATOM 0 HA ASP A 31 7.181 -7.949 -13.355 1.00 53.23 H new ATOM 0 HB2 ASP A 31 4.771 -8.341 -13.927 1.00 43.42 H new ATOM 0 HB3 ASP A 31 5.019 -6.847 -13.045 1.00 43.42 H new ATOM 450 N ASP A 32 7.557 -7.741 -16.483 1.00 71.23 N ATOM 451 CA ASP A 32 7.978 -8.501 -17.682 1.00 25.51 C ATOM 452 C ASP A 32 9.231 -9.259 -17.339 1.00 54.25 C ATOM 453 O ASP A 32 10.253 -8.685 -16.980 1.00 41.15 O ATOM 454 CB ASP A 32 8.322 -7.568 -18.851 1.00 51.55 C ATOM 455 CG ASP A 32 7.128 -7.212 -19.686 1.00 51.52 C ATOM 456 OD1 ASP A 32 6.355 -8.114 -20.060 1.00 70.15 O ATOM 457 OD2 ASP A 32 7.019 -6.022 -20.047 1.00 70.51 O ATOM 0 H ASP A 32 7.731 -6.737 -16.536 1.00 71.23 H new ATOM 0 HA ASP A 32 7.158 -9.156 -17.975 1.00 25.51 H new ATOM 0 HB2 ASP A 32 8.771 -6.655 -18.460 1.00 51.55 H new ATOM 0 HB3 ASP A 32 9.071 -8.046 -19.482 1.00 51.55 H new ATOM 462 N ALA A 33 9.165 -10.577 -17.463 1.00 31.31 N ATOM 463 CA ALA A 33 10.320 -11.395 -17.224 1.00 34.53 C ATOM 464 C ALA A 33 11.168 -11.387 -18.487 1.00 52.34 C ATOM 465 O ALA A 33 10.635 -11.468 -19.586 1.00 5.35 O ATOM 466 CB ALA A 33 9.875 -12.796 -16.852 1.00 34.53 C ATOM 0 H ALA A 33 8.324 -11.090 -17.727 1.00 31.31 H new ATOM 0 HA ALA A 33 10.916 -11.011 -16.396 1.00 34.53 H new ATOM 0 HB1 ALA A 33 10.750 -13.419 -16.670 1.00 34.53 H new ATOM 0 HB2 ALA A 33 9.264 -12.756 -15.950 1.00 34.53 H new ATOM 0 HB3 ALA A 33 9.290 -13.221 -17.668 1.00 34.53 H new ATOM 472 N PHE A 34 12.485 -11.392 -18.327 1.00 11.41 N ATOM 473 CA PHE A 34 13.397 -11.458 -19.468 1.00 71.53 C ATOM 474 C PHE A 34 13.077 -12.694 -20.311 1.00 61.22 C ATOM 475 O PHE A 34 13.138 -12.668 -21.530 1.00 61.44 O ATOM 476 CB PHE A 34 14.844 -11.508 -18.964 1.00 33.44 C ATOM 477 CG PHE A 34 15.875 -11.228 -20.029 1.00 32.11 C ATOM 478 CD1 PHE A 34 16.193 -9.900 -20.369 1.00 61.14 C ATOM 479 CD2 PHE A 34 16.543 -12.280 -20.687 1.00 43.42 C ATOM 480 CE1 PHE A 34 17.179 -9.615 -21.342 1.00 65.44 C ATOM 481 CE2 PHE A 34 17.533 -12.003 -21.667 1.00 65.41 C ATOM 482 CZ PHE A 34 17.854 -10.666 -21.988 1.00 10.52 C ATOM 0 H PHE A 34 12.948 -11.351 -17.419 1.00 11.41 H new ATOM 0 HA PHE A 34 13.273 -10.572 -20.090 1.00 71.53 H new ATOM 0 HB2 PHE A 34 14.963 -10.783 -18.159 1.00 33.44 H new ATOM 0 HB3 PHE A 34 15.035 -12.493 -18.537 1.00 33.44 H new ATOM 0 HD1 PHE A 34 15.677 -9.087 -19.880 1.00 61.14 H new ATOM 0 HD2 PHE A 34 16.300 -13.304 -20.444 1.00 43.42 H new ATOM 0 HE1 PHE A 34 17.414 -8.590 -21.589 1.00 65.44 H new ATOM 0 HE2 PHE A 34 18.040 -12.815 -22.167 1.00 65.41 H new ATOM 0 HZ PHE A 34 18.613 -10.452 -22.725 1.00 10.52 H new ATOM 492 N HIS A 35 12.657 -13.757 -19.637 1.00 61.30 N ATOM 493 CA HIS A 35 12.216 -14.985 -20.300 1.00 22.43 C ATOM 494 C HIS A 35 10.955 -14.792 -21.140 1.00 71.14 C ATOM 495 O HIS A 35 10.850 -15.347 -22.229 1.00 5.01 O ATOM 496 CB HIS A 35 11.920 -16.066 -19.246 1.00 2.24 C ATOM 497 CG HIS A 35 11.099 -17.206 -19.770 1.00 71.32 C ATOM 498 ND1 HIS A 35 9.710 -17.288 -19.621 1.00 1.23 N ATOM 499 CD2 HIS A 35 11.434 -18.324 -20.471 1.00 1.41 C ATOM 500 CE1 HIS A 35 9.277 -18.388 -20.219 1.00 65.21 C ATOM 501 NE2 HIS A 35 10.295 -19.027 -20.731 1.00 4.01 N ATOM 0 H HIS A 35 12.611 -13.796 -18.619 1.00 61.30 H new ATOM 0 HA HIS A 35 13.027 -15.282 -20.965 1.00 22.43 H new ATOM 0 HB2 HIS A 35 12.863 -16.455 -18.862 1.00 2.24 H new ATOM 0 HB3 HIS A 35 11.397 -15.609 -18.406 1.00 2.24 H new ATOM 0 HD1 HIS A 35 9.126 -16.611 -19.131 1.00 1.23 H new ATOM 0 HD2 HIS A 35 12.433 -18.606 -20.770 1.00 1.41 H new ATOM 0 HE1 HIS A 35 8.246 -18.706 -20.274 1.00 65.21 H new ATOM 509 N ASP A 36 9.970 -14.079 -20.612 1.00 71.21 N ATOM 510 CA ASP A 36 8.654 -14.009 -21.239 1.00 23.45 C ATOM 511 C ASP A 36 8.709 -13.107 -22.455 1.00 51.35 C ATOM 512 O ASP A 36 7.983 -13.305 -23.419 1.00 24.31 O ATOM 513 CB ASP A 36 7.604 -13.524 -20.231 1.00 71.13 C ATOM 514 CG ASP A 36 7.286 -14.580 -19.165 1.00 41.53 C ATOM 515 OD1 ASP A 36 8.238 -15.211 -18.631 1.00 62.23 O ATOM 516 OD2 ASP A 36 6.101 -14.822 -18.898 1.00 20.21 O ATOM 0 H ASP A 36 10.056 -13.540 -19.750 1.00 71.21 H new ATOM 0 HA ASP A 36 8.361 -15.006 -21.567 1.00 23.45 H new ATOM 0 HB2 ASP A 36 7.963 -12.617 -19.744 1.00 71.13 H new ATOM 0 HB3 ASP A 36 6.689 -13.260 -20.762 1.00 71.13 H new ATOM 521 N LEU A 37 9.661 -12.185 -22.449 1.00 51.45 N ATOM 522 CA LEU A 37 9.927 -11.331 -23.608 1.00 62.32 C ATOM 523 C LEU A 37 10.613 -12.121 -24.734 1.00 54.13 C ATOM 524 O LEU A 37 10.843 -11.597 -25.815 1.00 51.41 O ATOM 525 CB LEU A 37 10.840 -10.171 -23.191 1.00 11.51 C ATOM 526 CG LEU A 37 10.267 -9.140 -22.208 1.00 72.13 C ATOM 527 CD1 LEU A 37 11.395 -8.266 -21.667 1.00 12.05 C ATOM 528 CD2 LEU A 37 9.218 -8.262 -22.892 1.00 35.34 C ATOM 0 H LEU A 37 10.269 -12.005 -21.650 1.00 51.45 H new ATOM 0 HA LEU A 37 8.973 -10.953 -23.975 1.00 62.32 H new ATOM 0 HB2 LEU A 37 11.742 -10.594 -22.748 1.00 11.51 H new ATOM 0 HB3 LEU A 37 11.146 -9.642 -24.093 1.00 11.51 H new ATOM 0 HG LEU A 37 9.789 -9.673 -21.386 1.00 72.13 H new ATOM 0 HD11 LEU A 37 10.986 -7.535 -20.970 1.00 12.05 H new ATOM 0 HD12 LEU A 37 12.124 -8.891 -21.152 1.00 12.05 H new ATOM 0 HD13 LEU A 37 11.881 -7.747 -22.493 1.00 12.05 H new ATOM 0 HD21 LEU A 37 8.826 -7.539 -22.176 1.00 35.34 H new ATOM 0 HD22 LEU A 37 9.675 -7.733 -23.728 1.00 35.34 H new ATOM 0 HD23 LEU A 37 8.404 -8.887 -23.259 1.00 35.34 H new ATOM 540 N GLY A 38 10.957 -13.371 -24.468 1.00 62.02 N ATOM 541 CA GLY A 38 11.639 -14.198 -25.452 1.00 15.13 C ATOM 542 C GLY A 38 13.153 -14.162 -25.320 1.00 1.01 C ATOM 543 O GLY A 38 13.873 -14.636 -26.204 1.00 13.13 O ATOM 0 H GLY A 38 10.775 -13.836 -23.578 1.00 62.02 H new ATOM 0 HA2 GLY A 38 11.297 -15.228 -25.351 1.00 15.13 H new ATOM 0 HA3 GLY A 38 11.360 -13.866 -26.452 1.00 15.13 H new ATOM 547 N GLY A 39 13.647 -13.605 -24.221 1.00 13.02 N ATOM 548 CA GLY A 39 15.077 -13.530 -24.003 1.00 12.44 C ATOM 549 C GLY A 39 15.713 -14.901 -23.837 1.00 73.21 C ATOM 550 O GLY A 39 15.126 -15.839 -23.301 1.00 24.11 O ATOM 0 H GLY A 39 13.079 -13.203 -23.475 1.00 13.02 H new ATOM 0 HA2 GLY A 39 15.543 -13.016 -24.844 1.00 12.44 H new ATOM 0 HA3 GLY A 39 15.275 -12.931 -23.114 1.00 12.44 H new ATOM 554 N SER A 40 16.962 -14.994 -24.289 1.00 12.42 N ATOM 555 CA SER A 40 17.756 -16.233 -24.235 1.00 0.32 C ATOM 556 C SER A 40 18.776 -16.165 -23.141 1.00 11.41 C ATOM 557 O SER A 40 19.172 -15.077 -22.760 1.00 4.31 O ATOM 558 CB SER A 40 18.501 -16.425 -25.570 1.00 34.13 C ATOM 559 OG SER A 40 18.918 -17.739 -25.747 1.00 12.34 O ATOM 0 H SER A 40 17.461 -14.209 -24.707 1.00 12.42 H new ATOM 0 HA SER A 40 17.075 -17.063 -24.047 1.00 0.32 H new ATOM 0 HB2 SER A 40 17.849 -16.137 -26.394 1.00 34.13 H new ATOM 0 HB3 SER A 40 19.366 -15.762 -25.602 1.00 34.13 H new ATOM 0 HG SER A 40 19.385 -17.821 -26.605 1.00 12.34 H new ATOM 565 N SER A 41 19.361 -17.295 -22.783 1.00 74.50 N ATOM 566 CA SER A 41 20.521 -17.314 -21.889 1.00 20.05 C ATOM 567 C SER A 41 21.711 -16.573 -22.522 1.00 25.12 C ATOM 568 O SER A 41 22.459 -15.885 -21.838 1.00 51.13 O ATOM 569 CB SER A 41 20.916 -18.763 -21.571 1.00 61.43 C ATOM 570 OG SER A 41 21.117 -19.488 -22.774 1.00 4.11 O ATOM 0 H SER A 41 19.056 -18.217 -23.095 1.00 74.50 H new ATOM 0 HA SER A 41 20.250 -16.804 -20.964 1.00 20.05 H new ATOM 0 HB2 SER A 41 21.827 -18.777 -20.972 1.00 61.43 H new ATOM 0 HB3 SER A 41 20.136 -19.239 -20.976 1.00 61.43 H new ATOM 0 HG SER A 41 21.370 -20.411 -22.562 1.00 4.11 H new ATOM 576 N ALA A 42 21.856 -16.664 -23.836 1.00 53.14 N ATOM 577 CA ALA A 42 22.927 -15.936 -24.523 1.00 43.22 C ATOM 578 C ALA A 42 22.712 -14.414 -24.436 1.00 44.04 C ATOM 579 O ALA A 42 23.658 -13.642 -24.280 1.00 60.23 O ATOM 580 CB ALA A 42 22.995 -16.366 -25.991 1.00 74.34 C ATOM 0 H ALA A 42 21.259 -17.224 -24.445 1.00 53.14 H new ATOM 0 HA ALA A 42 23.868 -16.177 -24.029 1.00 43.22 H new ATOM 0 HB1 ALA A 42 23.793 -15.820 -26.493 1.00 74.34 H new ATOM 0 HB2 ALA A 42 23.195 -17.436 -26.048 1.00 74.34 H new ATOM 0 HB3 ALA A 42 22.044 -16.149 -26.478 1.00 74.34 H new ATOM 586 N LEU A 43 21.468 -13.979 -24.549 1.00 71.35 N ATOM 587 CA LEU A 43 21.127 -12.559 -24.465 1.00 11.51 C ATOM 588 C LEU A 43 21.268 -12.111 -23.006 1.00 72.32 C ATOM 589 O LEU A 43 21.714 -11.017 -22.720 1.00 30.41 O ATOM 590 CB LEU A 43 19.706 -12.333 -24.953 1.00 55.42 C ATOM 591 CG LEU A 43 19.441 -12.088 -26.434 1.00 25.22 C ATOM 592 CD1 LEU A 43 19.945 -13.220 -27.323 1.00 63.23 C ATOM 593 CD2 LEU A 43 17.944 -11.866 -26.662 1.00 73.33 C ATOM 0 H LEU A 43 20.667 -14.592 -24.701 1.00 71.35 H new ATOM 0 HA LEU A 43 21.798 -11.976 -25.096 1.00 11.51 H new ATOM 0 HB2 LEU A 43 19.119 -13.203 -24.658 1.00 55.42 H new ATOM 0 HB3 LEU A 43 19.307 -11.479 -24.406 1.00 55.42 H new ATOM 0 HG LEU A 43 19.999 -11.195 -26.716 1.00 25.22 H new ATOM 0 HD11 LEU A 43 19.728 -12.988 -28.366 1.00 63.23 H new ATOM 0 HD12 LEU A 43 21.021 -13.333 -27.193 1.00 63.23 H new ATOM 0 HD13 LEU A 43 19.447 -14.149 -27.046 1.00 63.23 H new ATOM 0 HD21 LEU A 43 17.759 -11.691 -27.722 1.00 73.33 H new ATOM 0 HD22 LEU A 43 17.392 -12.748 -26.338 1.00 73.33 H new ATOM 0 HD23 LEU A 43 17.613 -11.000 -26.089 1.00 73.33 H new ATOM 605 N ALA A 44 20.930 -13.012 -22.090 1.00 53.02 N ATOM 606 CA ALA A 44 21.079 -12.679 -20.654 1.00 45.21 C ATOM 607 C ALA A 44 22.533 -12.396 -20.302 1.00 53.10 C ATOM 608 O ALA A 44 22.813 -11.504 -19.540 1.00 44.10 O ATOM 609 CB ALA A 44 20.494 -13.830 -19.816 1.00 20.40 C ATOM 0 H ALA A 44 20.565 -13.943 -22.289 1.00 53.02 H new ATOM 0 HA ALA A 44 20.528 -11.766 -20.429 1.00 45.21 H new ATOM 0 HB1 ALA A 44 20.597 -13.597 -18.756 1.00 20.40 H new ATOM 0 HB2 ALA A 44 19.439 -13.957 -20.058 1.00 20.40 H new ATOM 0 HB3 ALA A 44 21.031 -14.752 -20.039 1.00 20.40 H new ATOM 615 N MET A 45 23.479 -13.146 -20.853 1.00 55.54 N ATOM 616 CA MET A 45 24.900 -12.877 -20.627 1.00 35.52 C ATOM 617 C MET A 45 25.281 -11.471 -21.116 1.00 63.41 C ATOM 618 O MET A 45 26.092 -10.786 -20.504 1.00 71.32 O ATOM 619 CB MET A 45 25.751 -13.903 -21.363 1.00 73.45 C ATOM 620 CG MET A 45 25.747 -15.298 -20.739 1.00 25.15 C ATOM 621 SD MET A 45 26.539 -15.340 -19.110 1.00 41.25 S ATOM 622 CE MET A 45 28.291 -15.103 -19.497 1.00 45.32 C ATOM 0 H MET A 45 23.292 -13.945 -21.459 1.00 55.54 H new ATOM 0 HA MET A 45 25.084 -12.941 -19.555 1.00 35.52 H new ATOM 0 HB2 MET A 45 25.398 -13.978 -22.391 1.00 73.45 H new ATOM 0 HB3 MET A 45 26.778 -13.541 -21.405 1.00 73.45 H new ATOM 0 HG2 MET A 45 24.719 -15.647 -20.647 1.00 25.15 H new ATOM 0 HG3 MET A 45 26.260 -15.991 -21.406 1.00 25.15 H new ATOM 0 HE1 MET A 45 28.888 -15.270 -18.600 1.00 45.32 H new ATOM 0 HE2 MET A 45 28.592 -15.810 -20.270 1.00 45.32 H new ATOM 0 HE3 MET A 45 28.450 -14.086 -19.855 1.00 45.32 H new ATOM 632 N ARG A 46 24.688 -11.033 -22.218 1.00 22.14 N ATOM 633 CA ARG A 46 24.953 -9.696 -22.756 1.00 5.33 C ATOM 634 C ARG A 46 24.299 -8.648 -21.869 1.00 43.44 C ATOM 635 O ARG A 46 24.833 -7.562 -21.699 1.00 33.10 O ATOM 636 CB ARG A 46 24.432 -9.565 -24.187 1.00 14.21 C ATOM 637 CG ARG A 46 25.193 -10.429 -25.177 1.00 30.22 C ATOM 638 CD ARG A 46 24.657 -10.229 -26.585 1.00 21.52 C ATOM 639 NE ARG A 46 25.453 -10.987 -27.570 1.00 11.35 N ATOM 640 CZ ARG A 46 26.031 -10.478 -28.655 1.00 10.10 C ATOM 641 NH1 ARG A 46 25.935 -9.210 -28.983 1.00 45.41 N ATOM 642 NH2 ARG A 46 26.724 -11.267 -29.425 1.00 42.11 N ATOM 0 H ARG A 46 24.020 -11.580 -22.760 1.00 22.14 H new ATOM 0 HA ARG A 46 26.032 -9.540 -22.772 1.00 5.33 H new ATOM 0 HB2 ARG A 46 23.377 -9.839 -24.210 1.00 14.21 H new ATOM 0 HB3 ARG A 46 24.498 -8.522 -24.498 1.00 14.21 H new ATOM 0 HG2 ARG A 46 26.253 -10.178 -25.147 1.00 30.22 H new ATOM 0 HG3 ARG A 46 25.106 -11.478 -24.895 1.00 30.22 H new ATOM 0 HD2 ARG A 46 23.616 -10.550 -26.630 1.00 21.52 H new ATOM 0 HD3 ARG A 46 24.675 -9.169 -26.837 1.00 21.52 H new ATOM 0 HE ARG A 46 25.570 -11.987 -27.405 1.00 11.35 H new ATOM 0 HH11 ARG A 46 25.400 -8.570 -28.396 1.00 45.41 H new ATOM 0 HH12 ARG A 46 26.396 -8.865 -29.825 1.00 45.41 H new ATOM 0 HH21 ARG A 46 26.816 -12.256 -29.192 1.00 42.11 H new ATOM 0 HH22 ARG A 46 27.175 -10.896 -30.261 1.00 42.11 H new ATOM 656 N LEU A 47 23.172 -8.998 -21.269 1.00 54.31 N ATOM 657 CA LEU A 47 22.489 -8.106 -20.332 1.00 74.25 C ATOM 658 C LEU A 47 23.397 -7.819 -19.148 1.00 62.22 C ATOM 659 O LEU A 47 23.475 -6.690 -18.699 1.00 70.13 O ATOM 660 CB LEU A 47 21.169 -8.716 -19.849 1.00 3.35 C ATOM 661 CG LEU A 47 20.381 -7.876 -18.836 1.00 11.40 C ATOM 662 CD1 LEU A 47 19.907 -6.534 -19.397 1.00 10.41 C ATOM 663 CD2 LEU A 47 19.198 -8.685 -18.385 1.00 11.51 C ATOM 0 H LEU A 47 22.707 -9.894 -21.412 1.00 54.31 H new ATOM 0 HA LEU A 47 22.258 -7.174 -20.848 1.00 74.25 H new ATOM 0 HB2 LEU A 47 20.534 -8.896 -20.716 1.00 3.35 H new ATOM 0 HB3 LEU A 47 21.381 -9.687 -19.402 1.00 3.35 H new ATOM 0 HG LEU A 47 21.047 -7.638 -18.007 1.00 11.40 H new ATOM 0 HD11 LEU A 47 19.357 -5.992 -18.628 1.00 10.41 H new ATOM 0 HD12 LEU A 47 20.769 -5.945 -19.709 1.00 10.41 H new ATOM 0 HD13 LEU A 47 19.256 -6.707 -20.254 1.00 10.41 H new ATOM 0 HD21 LEU A 47 18.619 -8.110 -17.662 1.00 11.51 H new ATOM 0 HD22 LEU A 47 18.572 -8.924 -19.244 1.00 11.51 H new ATOM 0 HD23 LEU A 47 19.544 -9.608 -17.920 1.00 11.51 H new ATOM 675 N ILE A 48 24.120 -8.827 -18.674 1.00 10.34 N ATOM 676 CA ILE A 48 25.039 -8.634 -17.546 1.00 72.32 C ATOM 677 C ILE A 48 26.119 -7.631 -17.932 1.00 14.52 C ATOM 678 O ILE A 48 26.451 -6.739 -17.160 1.00 72.24 O ATOM 679 CB ILE A 48 25.724 -9.972 -17.101 1.00 23.24 C ATOM 680 CG1 ILE A 48 24.643 -11.014 -16.753 1.00 1.35 C ATOM 681 CG2 ILE A 48 26.679 -9.704 -15.883 1.00 33.34 C ATOM 682 CD1 ILE A 48 25.167 -12.394 -16.404 1.00 33.04 C ATOM 0 H ILE A 48 24.093 -9.777 -19.044 1.00 10.34 H new ATOM 0 HA ILE A 48 24.449 -8.263 -16.708 1.00 72.32 H new ATOM 0 HB ILE A 48 26.328 -10.368 -17.918 1.00 23.24 H new ATOM 0 HG12 ILE A 48 24.059 -10.641 -15.912 1.00 1.35 H new ATOM 0 HG13 ILE A 48 23.962 -11.104 -17.599 1.00 1.35 H new ATOM 0 HG21 ILE A 48 27.152 -10.638 -15.579 1.00 33.34 H new ATOM 0 HG22 ILE A 48 27.447 -8.987 -16.173 1.00 33.34 H new ATOM 0 HG23 ILE A 48 26.102 -9.301 -15.050 1.00 33.34 H new ATOM 0 HD11 ILE A 48 24.330 -13.054 -16.175 1.00 33.04 H new ATOM 0 HD12 ILE A 48 25.725 -12.796 -17.250 1.00 33.04 H new ATOM 0 HD13 ILE A 48 25.823 -12.325 -15.536 1.00 33.04 H new ATOM 694 N ALA A 49 26.651 -7.773 -19.135 1.00 11.31 N ATOM 695 CA ALA A 49 27.712 -6.889 -19.601 1.00 3.33 C ATOM 696 C ALA A 49 27.236 -5.438 -19.693 1.00 40.50 C ATOM 697 O ALA A 49 27.902 -4.525 -19.202 1.00 12.13 O ATOM 698 CB ALA A 49 28.219 -7.367 -20.962 1.00 62.21 C ATOM 0 H ALA A 49 26.369 -8.488 -19.805 1.00 11.31 H new ATOM 0 HA ALA A 49 28.525 -6.923 -18.876 1.00 3.33 H new ATOM 0 HB1 ALA A 49 29.012 -6.704 -21.308 1.00 62.21 H new ATOM 0 HB2 ALA A 49 28.608 -8.381 -20.870 1.00 62.21 H new ATOM 0 HB3 ALA A 49 27.399 -7.357 -21.680 1.00 62.21 H new ATOM 704 N ARG A 50 26.064 -5.228 -20.282 1.00 12.30 N ATOM 705 CA ARG A 50 25.497 -3.880 -20.409 1.00 24.11 C ATOM 706 C ARG A 50 25.160 -3.320 -19.025 1.00 22.35 C ATOM 707 O ARG A 50 25.415 -2.169 -18.733 1.00 2.42 O ATOM 708 CB ARG A 50 24.230 -3.902 -21.262 1.00 13.53 C ATOM 709 CG ARG A 50 24.423 -4.135 -22.758 1.00 33.11 C ATOM 710 CD ARG A 50 24.918 -2.878 -23.495 1.00 65.55 C ATOM 711 NE ARG A 50 24.003 -1.722 -23.367 1.00 32.01 N ATOM 712 CZ ARG A 50 24.332 -0.529 -22.882 1.00 23.04 C ATOM 713 NH1 ARG A 50 25.537 -0.244 -22.463 1.00 11.32 N ATOM 714 NH2 ARG A 50 23.435 0.404 -22.813 1.00 51.43 N ATOM 0 H ARG A 50 25.485 -5.968 -20.680 1.00 12.30 H new ATOM 0 HA ARG A 50 26.240 -3.246 -20.893 1.00 24.11 H new ATOM 0 HB2 ARG A 50 23.572 -4.681 -20.877 1.00 13.53 H new ATOM 0 HB3 ARG A 50 23.712 -2.953 -21.128 1.00 13.53 H new ATOM 0 HG2 ARG A 50 25.139 -4.944 -22.906 1.00 33.11 H new ATOM 0 HG3 ARG A 50 23.479 -4.460 -23.196 1.00 33.11 H new ATOM 0 HD2 ARG A 50 25.898 -2.601 -23.107 1.00 65.55 H new ATOM 0 HD3 ARG A 50 25.049 -3.113 -24.551 1.00 65.55 H new ATOM 0 HE ARG A 50 23.040 -1.851 -23.677 1.00 32.01 H new ATOM 0 HH11 ARG A 50 26.271 -0.952 -22.501 1.00 11.32 H new ATOM 0 HH12 ARG A 50 25.744 0.686 -22.098 1.00 11.32 H new ATOM 0 HH21 ARG A 50 22.483 0.221 -23.130 1.00 51.43 H new ATOM 0 HH22 ARG A 50 23.681 1.322 -22.442 1.00 51.43 H new ATOM 728 N ILE A 51 24.619 -4.157 -18.152 1.00 73.31 N ATOM 729 CA ILE A 51 24.327 -3.744 -16.778 1.00 64.12 C ATOM 730 C ILE A 51 25.628 -3.314 -16.087 1.00 73.53 C ATOM 731 O ILE A 51 25.643 -2.347 -15.346 1.00 42.34 O ATOM 732 CB ILE A 51 23.612 -4.892 -15.976 1.00 33.54 C ATOM 733 CG1 ILE A 51 22.093 -4.838 -16.266 1.00 0.24 C ATOM 734 CG2 ILE A 51 23.880 -4.784 -14.449 1.00 15.02 C ATOM 735 CD1 ILE A 51 21.280 -6.002 -15.670 1.00 35.12 C ATOM 0 H ILE A 51 24.372 -5.124 -18.365 1.00 73.31 H new ATOM 0 HA ILE A 51 23.641 -2.897 -16.803 1.00 64.12 H new ATOM 0 HB ILE A 51 24.019 -5.849 -16.303 1.00 33.54 H new ATOM 0 HG12 ILE A 51 21.696 -3.900 -15.878 1.00 0.24 H new ATOM 0 HG13 ILE A 51 21.944 -4.824 -17.346 1.00 0.24 H new ATOM 0 HG21 ILE A 51 23.368 -5.595 -13.932 1.00 15.02 H new ATOM 0 HG22 ILE A 51 24.952 -4.853 -14.262 1.00 15.02 H new ATOM 0 HG23 ILE A 51 23.508 -3.828 -14.081 1.00 15.02 H new ATOM 0 HD11 ILE A 51 20.227 -5.879 -15.925 1.00 35.12 H new ATOM 0 HD12 ILE A 51 21.644 -6.946 -16.077 1.00 35.12 H new ATOM 0 HD13 ILE A 51 21.392 -6.007 -14.586 1.00 35.12 H new ATOM 747 N ARG A 52 26.725 -4.016 -16.327 1.00 52.50 N ATOM 748 CA ARG A 52 27.970 -3.687 -15.635 1.00 71.42 C ATOM 749 C ARG A 52 28.535 -2.341 -16.041 1.00 2.23 C ATOM 750 O ARG A 52 29.124 -1.668 -15.210 1.00 62.02 O ATOM 751 CB ARG A 52 29.016 -4.770 -15.860 1.00 41.42 C ATOM 752 CG ARG A 52 29.646 -5.238 -14.553 1.00 34.54 C ATOM 753 CD ARG A 52 30.784 -4.310 -14.076 1.00 23.33 C ATOM 754 NE ARG A 52 31.431 -4.858 -12.875 1.00 52.53 N ATOM 755 CZ ARG A 52 32.347 -5.819 -12.884 1.00 45.25 C ATOM 756 NH1 ARG A 52 32.791 -6.405 -13.988 1.00 31.03 N ATOM 757 NH2 ARG A 52 32.841 -6.229 -11.764 1.00 43.23 N ATOM 0 H ARG A 52 26.784 -4.799 -16.978 1.00 52.50 H new ATOM 0 HA ARG A 52 27.722 -3.630 -14.575 1.00 71.42 H new ATOM 0 HB2 ARG A 52 28.555 -5.619 -16.365 1.00 41.42 H new ATOM 0 HB3 ARG A 52 29.794 -4.390 -16.522 1.00 41.42 H new ATOM 0 HG2 ARG A 52 28.877 -5.290 -13.782 1.00 34.54 H new ATOM 0 HG3 ARG A 52 30.036 -6.248 -14.683 1.00 34.54 H new ATOM 0 HD2 ARG A 52 31.521 -4.192 -14.870 1.00 23.33 H new ATOM 0 HD3 ARG A 52 30.386 -3.319 -13.860 1.00 23.33 H new ATOM 0 HE ARG A 52 31.157 -4.473 -11.971 1.00 52.53 H new ATOM 0 HH11 ARG A 52 32.426 -6.122 -14.898 1.00 31.03 H new ATOM 0 HH12 ARG A 52 33.497 -7.138 -13.927 1.00 31.03 H new ATOM 0 HH21 ARG A 52 32.527 -5.815 -10.886 1.00 43.23 H new ATOM 0 HH22 ARG A 52 33.545 -6.967 -11.757 1.00 43.23 H new ATOM 771 N GLU A 53 28.370 -1.919 -17.280 1.00 2.03 N ATOM 772 CA GLU A 53 28.904 -0.616 -17.673 1.00 65.13 C ATOM 773 C GLU A 53 27.933 0.509 -17.298 1.00 13.13 C ATOM 774 O GLU A 53 28.370 1.578 -16.863 1.00 1.01 O ATOM 775 CB GLU A 53 29.223 -0.603 -19.176 1.00 73.53 C ATOM 776 CG GLU A 53 28.071 -0.829 -20.126 1.00 11.44 C ATOM 777 CD GLU A 53 28.526 -1.052 -21.559 1.00 31.12 C ATOM 778 OE1 GLU A 53 29.402 -0.301 -22.052 1.00 35.12 O ATOM 779 OE2 GLU A 53 27.976 -1.962 -22.212 1.00 22.14 O ATOM 0 H GLU A 53 27.888 -2.435 -18.016 1.00 2.03 H new ATOM 0 HA GLU A 53 29.832 -0.442 -17.128 1.00 65.13 H new ATOM 0 HB2 GLU A 53 29.677 0.358 -19.417 1.00 73.53 H new ATOM 0 HB3 GLU A 53 29.975 -1.368 -19.369 1.00 73.53 H new ATOM 0 HG2 GLU A 53 27.496 -1.693 -19.793 1.00 11.44 H new ATOM 0 HG3 GLU A 53 27.403 0.032 -20.091 1.00 11.44 H new ATOM 786 N GLU A 54 26.655 0.271 -17.472 1.00 65.43 N ATOM 787 CA GLU A 54 25.629 1.282 -17.190 1.00 11.04 C ATOM 788 C GLU A 54 25.329 1.496 -15.697 1.00 34.31 C ATOM 789 O GLU A 54 25.003 2.588 -15.285 1.00 0.50 O ATOM 790 CB GLU A 54 24.315 0.884 -17.896 1.00 2.13 C ATOM 791 CG GLU A 54 24.359 0.866 -19.401 1.00 75.12 C ATOM 792 CD GLU A 54 24.536 2.235 -20.052 1.00 23.22 C ATOM 793 OE1 GLU A 54 24.163 3.246 -19.445 1.00 50.22 O ATOM 794 OE2 GLU A 54 25.007 2.273 -21.225 1.00 22.13 O ATOM 0 H GLU A 54 26.285 -0.617 -17.810 1.00 65.43 H new ATOM 0 HA GLU A 54 26.033 2.222 -17.564 1.00 11.04 H new ATOM 0 HB2 GLU A 54 24.023 -0.107 -17.548 1.00 2.13 H new ATOM 0 HB3 GLU A 54 23.532 1.575 -17.582 1.00 2.13 H new ATOM 0 HG2 GLU A 54 25.177 0.220 -19.719 1.00 75.12 H new ATOM 0 HG3 GLU A 54 23.437 0.419 -19.772 1.00 75.12 H new ATOM 801 N LEU A 55 25.380 0.422 -14.925 1.00 14.21 N ATOM 802 CA LEU A 55 25.050 0.468 -13.507 1.00 23.34 C ATOM 803 C LEU A 55 26.262 0.215 -12.580 1.00 44.15 C ATOM 804 O LEU A 55 26.221 0.559 -11.416 1.00 4.05 O ATOM 805 CB LEU A 55 23.979 -0.573 -13.171 1.00 11.34 C ATOM 806 CG LEU A 55 22.545 -0.372 -13.679 1.00 34.45 C ATOM 807 CD1 LEU A 55 22.361 -0.280 -15.155 1.00 33.21 C ATOM 808 CD2 LEU A 55 21.705 -1.555 -13.172 1.00 41.22 C ATOM 0 H LEU A 55 25.650 -0.503 -15.260 1.00 14.21 H new ATOM 0 HA LEU A 55 24.690 1.481 -13.328 1.00 23.34 H new ATOM 0 HB2 LEU A 55 24.328 -1.534 -13.549 1.00 11.34 H new ATOM 0 HB3 LEU A 55 23.932 -0.655 -12.085 1.00 11.34 H new ATOM 0 HG LEU A 55 22.238 0.602 -13.297 1.00 34.45 H new ATOM 0 HD11 LEU A 55 21.304 -0.139 -15.382 1.00 33.21 H new ATOM 0 HD12 LEU A 55 22.931 0.565 -15.541 1.00 33.21 H new ATOM 0 HD13 LEU A 55 22.713 -1.199 -15.624 1.00 33.21 H new ATOM 0 HD21 LEU A 55 20.676 -1.445 -13.515 1.00 41.22 H new ATOM 0 HD22 LEU A 55 22.118 -2.487 -13.558 1.00 41.22 H new ATOM 0 HD23 LEU A 55 21.724 -1.574 -12.082 1.00 41.22 H new ATOM 820 N GLY A 56 27.304 -0.417 -13.117 1.00 10.44 N ATOM 821 CA GLY A 56 28.520 -0.687 -12.354 1.00 70.53 C ATOM 822 C GLY A 56 28.456 -1.884 -11.443 1.00 51.43 C ATOM 823 O GLY A 56 29.229 -2.002 -10.483 1.00 73.41 O ATOM 0 H GLY A 56 27.330 -0.752 -14.080 1.00 10.44 H new ATOM 0 HA2 GLY A 56 29.344 -0.827 -13.053 1.00 70.53 H new ATOM 0 HA3 GLY A 56 28.756 0.193 -11.755 1.00 70.53 H new ATOM 827 N VAL A 57 27.468 -2.777 -11.661 1.00 71.23 N ATOM 828 CA VAL A 57 27.233 -3.887 -10.764 1.00 14.34 C ATOM 829 C VAL A 57 27.336 -5.219 -11.472 1.00 11.02 C ATOM 830 O VAL A 57 26.807 -5.394 -12.557 1.00 25.32 O ATOM 831 CB VAL A 57 25.823 -3.761 -10.033 1.00 22.55 C ATOM 832 CG1 VAL A 57 25.759 -2.502 -9.129 1.00 25.23 C ATOM 833 CG2 VAL A 57 24.661 -3.720 -11.057 1.00 60.24 C ATOM 0 H VAL A 57 26.830 -2.736 -12.455 1.00 71.23 H new ATOM 0 HA VAL A 57 28.018 -3.846 -10.009 1.00 14.34 H new ATOM 0 HB VAL A 57 25.714 -4.646 -9.407 1.00 22.55 H new ATOM 0 HG11 VAL A 57 24.783 -2.449 -8.647 1.00 25.23 H new ATOM 0 HG12 VAL A 57 26.537 -2.561 -8.368 1.00 25.23 H new ATOM 0 HG13 VAL A 57 25.912 -1.610 -9.736 1.00 25.23 H new ATOM 0 HG21 VAL A 57 23.712 -3.634 -10.527 1.00 60.24 H new ATOM 0 HG22 VAL A 57 24.788 -2.862 -11.717 1.00 60.24 H new ATOM 0 HG23 VAL A 57 24.665 -4.636 -11.648 1.00 60.24 H new ATOM 843 N ASP A 58 28.063 -6.136 -10.846 1.00 41.34 N ATOM 844 CA ASP A 58 28.296 -7.445 -11.437 1.00 41.24 C ATOM 845 C ASP A 58 27.193 -8.417 -11.033 1.00 0.20 C ATOM 846 O ASP A 58 27.176 -8.916 -9.904 1.00 22.41 O ATOM 847 CB ASP A 58 29.658 -7.972 -10.997 1.00 40.43 C ATOM 848 CG ASP A 58 30.128 -9.155 -11.830 1.00 10.53 C ATOM 849 OD1 ASP A 58 29.516 -9.429 -12.870 1.00 73.03 O ATOM 850 OD2 ASP A 58 31.175 -9.745 -11.471 1.00 61.43 O ATOM 0 H ASP A 58 28.499 -5.998 -9.934 1.00 41.34 H new ATOM 0 HA ASP A 58 28.285 -7.351 -12.523 1.00 41.24 H new ATOM 0 HB2 ASP A 58 30.393 -7.170 -11.066 1.00 40.43 H new ATOM 0 HB3 ASP A 58 29.607 -8.268 -9.949 1.00 40.43 H new ATOM 855 N LEU A 59 26.222 -8.611 -11.915 1.00 12.13 N ATOM 856 CA LEU A 59 25.055 -9.442 -11.627 1.00 13.35 C ATOM 857 C LEU A 59 25.273 -10.906 -12.062 1.00 64.02 C ATOM 858 O LEU A 59 25.397 -11.181 -13.254 1.00 51.51 O ATOM 859 CB LEU A 59 23.830 -8.873 -12.340 1.00 2.12 C ATOM 860 CG LEU A 59 22.506 -9.586 -12.017 1.00 41.34 C ATOM 861 CD1 LEU A 59 22.057 -9.334 -10.576 1.00 23.04 C ATOM 862 CD2 LEU A 59 21.456 -9.069 -12.989 1.00 13.11 C ATOM 0 H LEU A 59 26.218 -8.199 -12.848 1.00 12.13 H new ATOM 0 HA LEU A 59 24.898 -9.433 -10.548 1.00 13.35 H new ATOM 0 HB2 LEU A 59 23.732 -7.819 -12.079 1.00 2.12 H new ATOM 0 HB3 LEU A 59 23.999 -8.920 -13.416 1.00 2.12 H new ATOM 0 HG LEU A 59 22.643 -10.662 -12.120 1.00 41.34 H new ATOM 0 HD11 LEU A 59 21.118 -9.856 -10.391 1.00 23.04 H new ATOM 0 HD12 LEU A 59 22.818 -9.702 -9.888 1.00 23.04 H new ATOM 0 HD13 LEU A 59 21.914 -8.265 -10.421 1.00 23.04 H new ATOM 0 HD21 LEU A 59 20.502 -9.556 -12.787 1.00 13.11 H new ATOM 0 HD22 LEU A 59 21.347 -7.991 -12.867 1.00 13.11 H new ATOM 0 HD23 LEU A 59 21.766 -9.289 -14.011 1.00 13.11 H new ATOM 874 N PRO A 60 25.294 -11.863 -11.120 1.00 55.44 N ATOM 875 CA PRO A 60 25.527 -13.232 -11.588 1.00 4.34 C ATOM 876 C PRO A 60 24.307 -13.875 -12.264 1.00 51.15 C ATOM 877 O PRO A 60 23.152 -13.564 -11.941 1.00 34.12 O ATOM 878 CB PRO A 60 25.885 -13.972 -10.299 1.00 42.44 C ATOM 879 CG PRO A 60 25.107 -13.264 -9.257 1.00 64.11 C ATOM 880 CD PRO A 60 25.157 -11.811 -9.651 1.00 63.34 C ATOM 0 HA PRO A 60 26.296 -13.266 -12.360 1.00 4.34 H new ATOM 0 HB2 PRO A 60 25.613 -15.026 -10.354 1.00 42.44 H new ATOM 0 HB3 PRO A 60 26.955 -13.929 -10.097 1.00 42.44 H new ATOM 0 HG2 PRO A 60 24.080 -13.627 -9.217 1.00 64.11 H new ATOM 0 HG3 PRO A 60 25.539 -13.420 -8.268 1.00 64.11 H new ATOM 0 HD2 PRO A 60 24.253 -11.281 -9.350 1.00 63.34 H new ATOM 0 HD3 PRO A 60 25.998 -11.297 -9.186 1.00 63.34 H new ATOM 888 N ILE A 61 24.568 -14.837 -13.145 1.00 11.35 N ATOM 889 CA ILE A 61 23.515 -15.599 -13.837 1.00 22.34 C ATOM 890 C ILE A 61 22.548 -16.242 -12.843 1.00 72.41 C ATOM 891 O ILE A 61 21.337 -16.263 -13.066 1.00 52.44 O ATOM 892 CB ILE A 61 24.164 -16.712 -14.755 1.00 11.50 C ATOM 893 CG1 ILE A 61 24.588 -16.111 -16.110 1.00 35.10 C ATOM 894 CG2 ILE A 61 23.214 -17.932 -14.975 1.00 0.30 C ATOM 895 CD1 ILE A 61 23.413 -15.682 -17.057 1.00 35.41 C ATOM 0 H ILE A 61 25.514 -15.116 -13.404 1.00 11.35 H new ATOM 0 HA ILE A 61 22.950 -14.903 -14.457 1.00 22.34 H new ATOM 0 HB ILE A 61 25.046 -17.083 -14.233 1.00 11.50 H new ATOM 0 HG12 ILE A 61 25.215 -15.240 -15.921 1.00 35.10 H new ATOM 0 HG13 ILE A 61 25.206 -16.841 -16.634 1.00 35.10 H new ATOM 0 HG21 ILE A 61 23.707 -18.667 -15.612 1.00 0.30 H new ATOM 0 HG22 ILE A 61 22.977 -18.386 -14.013 1.00 0.30 H new ATOM 0 HG23 ILE A 61 22.295 -17.595 -15.454 1.00 0.30 H new ATOM 0 HD11 ILE A 61 23.821 -15.273 -17.981 1.00 35.41 H new ATOM 0 HD12 ILE A 61 22.795 -16.550 -17.286 1.00 35.41 H new ATOM 0 HD13 ILE A 61 22.805 -14.925 -16.562 1.00 35.41 H new ATOM 907 N ARG A 62 23.071 -16.725 -11.721 1.00 41.32 N ATOM 908 CA ARG A 62 22.235 -17.356 -10.697 1.00 54.43 C ATOM 909 C ARG A 62 21.117 -16.423 -10.253 1.00 63.14 C ATOM 910 O ARG A 62 19.983 -16.850 -10.102 1.00 61.40 O ATOM 911 CB ARG A 62 23.080 -17.734 -9.469 1.00 44.23 C ATOM 912 CG ARG A 62 23.937 -18.989 -9.648 1.00 25.01 C ATOM 913 CD ARG A 62 23.103 -20.263 -9.528 1.00 52.34 C ATOM 914 NE ARG A 62 23.951 -21.469 -9.540 1.00 2.24 N ATOM 915 CZ ARG A 62 23.514 -22.716 -9.386 1.00 12.22 C ATOM 916 NH1 ARG A 62 22.246 -22.995 -9.209 1.00 35.50 N ATOM 917 NH2 ARG A 62 24.371 -23.698 -9.407 1.00 43.41 N ATOM 0 H ARG A 62 24.065 -16.694 -11.495 1.00 41.32 H new ATOM 0 HA ARG A 62 21.801 -18.254 -11.137 1.00 54.43 H new ATOM 0 HB2 ARG A 62 23.732 -16.897 -9.221 1.00 44.23 H new ATOM 0 HB3 ARG A 62 22.415 -17.882 -8.618 1.00 44.23 H new ATOM 0 HG2 ARG A 62 24.423 -18.962 -10.623 1.00 25.01 H new ATOM 0 HG3 ARG A 62 24.728 -19.000 -8.898 1.00 25.01 H new ATOM 0 HD2 ARG A 62 22.524 -20.234 -8.605 1.00 52.34 H new ATOM 0 HD3 ARG A 62 22.390 -20.311 -10.351 1.00 52.34 H new ATOM 0 HE ARG A 62 24.953 -21.337 -9.677 1.00 2.24 H new ATOM 0 HH11 ARG A 62 21.557 -22.243 -9.186 1.00 35.50 H new ATOM 0 HH12 ARG A 62 21.948 -23.964 -9.094 1.00 35.50 H new ATOM 0 HH21 ARG A 62 25.364 -23.506 -9.540 1.00 43.41 H new ATOM 0 HH22 ARG A 62 24.049 -24.659 -9.290 1.00 43.41 H new ATOM 931 N GLN A 63 21.439 -15.160 -10.044 1.00 24.00 N ATOM 932 CA GLN A 63 20.447 -14.208 -9.574 1.00 24.52 C ATOM 933 C GLN A 63 19.462 -13.852 -10.664 1.00 13.32 C ATOM 934 O GLN A 63 18.276 -13.756 -10.412 1.00 15.41 O ATOM 935 CB GLN A 63 21.132 -12.940 -9.055 1.00 43.34 C ATOM 936 CG GLN A 63 20.192 -12.021 -8.287 1.00 53.43 C ATOM 937 CD GLN A 63 19.668 -12.665 -7.016 1.00 0.24 C ATOM 938 OE1 GLN A 63 20.435 -13.062 -6.155 1.00 10.34 O ATOM 939 NE2 GLN A 63 18.371 -12.786 -6.905 1.00 14.34 N ATOM 0 H GLN A 63 22.370 -14.771 -10.190 1.00 24.00 H new ATOM 0 HA GLN A 63 19.895 -14.679 -8.760 1.00 24.52 H new ATOM 0 HB2 GLN A 63 21.962 -13.223 -8.408 1.00 43.34 H new ATOM 0 HB3 GLN A 63 21.556 -12.393 -9.897 1.00 43.34 H new ATOM 0 HG2 GLN A 63 20.715 -11.098 -8.035 1.00 53.43 H new ATOM 0 HG3 GLN A 63 19.352 -11.747 -8.926 1.00 53.43 H new ATOM 0 HE21 GLN A 63 17.761 -12.441 -7.647 1.00 14.34 H new ATOM 0 HE22 GLN A 63 17.969 -13.225 -6.077 1.00 14.34 H new ATOM 948 N LEU A 64 19.952 -13.694 -11.881 1.00 4.14 N ATOM 949 CA LEU A 64 19.093 -13.352 -13.007 1.00 34.52 C ATOM 950 C LEU A 64 18.024 -14.416 -13.245 1.00 35.13 C ATOM 951 O LEU A 64 16.901 -14.107 -13.603 1.00 61.54 O ATOM 952 CB LEU A 64 19.942 -13.174 -14.267 1.00 30.31 C ATOM 953 CG LEU A 64 19.758 -11.813 -14.955 1.00 41.03 C ATOM 954 CD1 LEU A 64 20.867 -11.590 -15.968 1.00 24.32 C ATOM 955 CD2 LEU A 64 18.404 -11.695 -15.645 1.00 22.10 C ATOM 0 H LEU A 64 20.939 -13.796 -12.117 1.00 4.14 H new ATOM 0 HA LEU A 64 18.584 -12.418 -12.770 1.00 34.52 H new ATOM 0 HB2 LEU A 64 20.993 -13.299 -14.006 1.00 30.31 H new ATOM 0 HB3 LEU A 64 19.694 -13.965 -14.975 1.00 30.31 H new ATOM 0 HG LEU A 64 19.802 -11.049 -14.179 1.00 41.03 H new ATOM 0 HD11 LEU A 64 20.729 -10.623 -16.451 1.00 24.32 H new ATOM 0 HD12 LEU A 64 21.832 -11.608 -15.461 1.00 24.32 H new ATOM 0 HD13 LEU A 64 20.837 -12.379 -16.720 1.00 24.32 H new ATOM 0 HD21 LEU A 64 18.320 -10.716 -16.117 1.00 22.10 H new ATOM 0 HD22 LEU A 64 18.313 -12.472 -16.404 1.00 22.10 H new ATOM 0 HD23 LEU A 64 17.609 -11.812 -14.909 1.00 22.10 H new ATOM 967 N PHE A 65 18.367 -15.675 -13.029 1.00 64.14 N ATOM 968 CA PHE A 65 17.402 -16.756 -13.243 1.00 70.32 C ATOM 969 C PHE A 65 16.411 -16.881 -12.090 1.00 61.23 C ATOM 970 O PHE A 65 15.286 -17.333 -12.282 1.00 12.22 O ATOM 971 CB PHE A 65 18.125 -18.080 -13.496 1.00 72.33 C ATOM 972 CG PHE A 65 18.465 -18.303 -14.949 1.00 74.13 C ATOM 973 CD1 PHE A 65 19.476 -17.556 -15.578 1.00 4.03 C ATOM 974 CD2 PHE A 65 17.744 -19.250 -15.706 1.00 24.43 C ATOM 975 CE1 PHE A 65 19.780 -17.750 -16.951 1.00 22.13 C ATOM 976 CE2 PHE A 65 18.039 -19.455 -17.079 1.00 42.34 C ATOM 977 CZ PHE A 65 19.059 -18.704 -17.701 1.00 4.41 C ATOM 0 H PHE A 65 19.288 -15.977 -12.711 1.00 64.14 H new ATOM 0 HA PHE A 65 16.821 -16.504 -14.130 1.00 70.32 H new ATOM 0 HB2 PHE A 65 19.042 -18.104 -12.907 1.00 72.33 H new ATOM 0 HB3 PHE A 65 17.499 -18.901 -13.146 1.00 72.33 H new ATOM 0 HD1 PHE A 65 20.029 -16.824 -15.009 1.00 4.03 H new ATOM 0 HD2 PHE A 65 16.960 -19.825 -15.236 1.00 24.43 H new ATOM 0 HE1 PHE A 65 20.561 -17.169 -17.420 1.00 22.13 H new ATOM 0 HE2 PHE A 65 17.483 -20.186 -17.648 1.00 42.34 H new ATOM 0 HZ PHE A 65 19.287 -18.858 -18.745 1.00 4.41 H new ATOM 987 N SER A 66 16.806 -16.446 -10.903 1.00 40.34 N ATOM 988 CA SER A 66 15.913 -16.446 -9.742 1.00 75.33 C ATOM 989 C SER A 66 15.093 -15.156 -9.697 1.00 12.54 C ATOM 990 O SER A 66 14.187 -15.009 -8.881 1.00 41.15 O ATOM 991 CB SER A 66 16.731 -16.557 -8.455 1.00 23.43 C ATOM 992 OG SER A 66 17.476 -17.769 -8.456 1.00 34.24 O ATOM 0 H SER A 66 17.741 -16.086 -10.713 1.00 40.34 H new ATOM 0 HA SER A 66 15.240 -17.299 -9.829 1.00 75.33 H new ATOM 0 HB2 SER A 66 17.406 -15.705 -8.369 1.00 23.43 H new ATOM 0 HB3 SER A 66 16.069 -16.528 -7.590 1.00 23.43 H new ATOM 0 HG SER A 66 18.313 -17.638 -8.949 1.00 34.24 H new ATOM 998 N SER A 67 15.443 -14.207 -10.551 1.00 73.45 N ATOM 999 CA SER A 67 14.799 -12.904 -10.598 1.00 1.11 C ATOM 1000 C SER A 67 14.786 -12.386 -12.037 1.00 50.30 C ATOM 1001 O SER A 67 15.542 -11.478 -12.366 1.00 32.33 O ATOM 1002 CB SER A 67 15.546 -11.929 -9.706 1.00 52.32 C ATOM 1003 OG SER A 67 15.579 -12.423 -8.368 1.00 32.13 O ATOM 0 H SER A 67 16.189 -14.321 -11.237 1.00 73.45 H new ATOM 0 HA SER A 67 13.773 -12.998 -10.243 1.00 1.11 H new ATOM 0 HB2 SER A 67 16.562 -11.789 -10.076 1.00 52.32 H new ATOM 0 HB3 SER A 67 15.060 -10.954 -9.731 1.00 52.32 H new ATOM 0 HG SER A 67 15.904 -11.720 -7.768 1.00 32.13 H new ATOM 1009 N PRO A 68 13.961 -12.976 -12.914 1.00 54.40 N ATOM 1010 CA PRO A 68 14.021 -12.546 -14.319 1.00 21.13 C ATOM 1011 C PRO A 68 13.345 -11.209 -14.615 1.00 51.43 C ATOM 1012 O PRO A 68 13.520 -10.674 -15.703 1.00 34.24 O ATOM 1013 CB PRO A 68 13.322 -13.683 -15.040 1.00 2.13 C ATOM 1014 CG PRO A 68 12.292 -14.135 -14.075 1.00 63.20 C ATOM 1015 CD PRO A 68 12.986 -14.074 -12.740 1.00 40.04 C ATOM 0 HA PRO A 68 15.050 -12.365 -14.631 1.00 21.13 H new ATOM 0 HB2 PRO A 68 12.874 -13.348 -15.975 1.00 2.13 H new ATOM 0 HB3 PRO A 68 14.016 -14.486 -15.289 1.00 2.13 H new ATOM 0 HG2 PRO A 68 11.414 -13.489 -14.098 1.00 63.20 H new ATOM 0 HG3 PRO A 68 11.950 -15.145 -14.301 1.00 63.20 H new ATOM 0 HD2 PRO A 68 12.285 -13.866 -11.931 1.00 40.04 H new ATOM 0 HD3 PRO A 68 13.479 -15.016 -12.500 1.00 40.04 H new ATOM 1023 N THR A 69 12.562 -10.681 -13.691 1.00 14.24 N ATOM 1024 CA THR A 69 11.889 -9.393 -13.899 1.00 5.44 C ATOM 1025 C THR A 69 12.768 -8.243 -13.399 1.00 12.32 C ATOM 1026 O THR A 69 13.541 -8.434 -12.446 1.00 24.34 O ATOM 1027 CB THR A 69 10.559 -9.325 -13.113 1.00 3.13 C ATOM 1028 OG1 THR A 69 10.800 -9.605 -11.729 1.00 64.23 O ATOM 1029 CG2 THR A 69 9.561 -10.341 -13.624 1.00 12.11 C ATOM 0 H THR A 69 12.371 -11.116 -12.788 1.00 14.24 H new ATOM 0 HA THR A 69 11.700 -9.303 -14.969 1.00 5.44 H new ATOM 0 HB THR A 69 10.153 -8.322 -13.245 1.00 3.13 H new ATOM 0 HG1 THR A 69 9.955 -9.559 -11.234 1.00 64.23 H new ATOM 0 HG21 THR A 69 8.638 -10.265 -13.049 1.00 12.11 H new ATOM 0 HG22 THR A 69 9.350 -10.147 -14.676 1.00 12.11 H new ATOM 0 HG23 THR A 69 9.975 -11.344 -13.516 1.00 12.11 H new ATOM 1037 N PRO A 70 12.629 -7.030 -13.996 1.00 33.23 N ATOM 1038 CA PRO A 70 13.417 -5.905 -13.460 1.00 33.24 C ATOM 1039 C PRO A 70 13.240 -5.639 -11.969 1.00 30.30 C ATOM 1040 O PRO A 70 14.187 -5.256 -11.298 1.00 34.25 O ATOM 1041 CB PRO A 70 12.923 -4.704 -14.266 1.00 54.34 C ATOM 1042 CG PRO A 70 12.459 -5.317 -15.513 1.00 60.22 C ATOM 1043 CD PRO A 70 11.811 -6.603 -15.127 1.00 23.54 C ATOM 0 HA PRO A 70 14.481 -6.121 -13.555 1.00 33.24 H new ATOM 0 HB2 PRO A 70 12.120 -4.175 -13.752 1.00 54.34 H new ATOM 0 HB3 PRO A 70 13.719 -3.981 -14.443 1.00 54.34 H new ATOM 0 HG2 PRO A 70 11.754 -4.665 -16.029 1.00 60.22 H new ATOM 0 HG3 PRO A 70 13.291 -5.490 -16.195 1.00 60.22 H new ATOM 0 HD2 PRO A 70 10.767 -6.465 -14.846 1.00 23.54 H new ATOM 0 HD3 PRO A 70 11.829 -7.329 -15.940 1.00 23.54 H new ATOM 1051 N ALA A 71 12.028 -5.803 -11.452 1.00 74.42 N ATOM 1052 CA ALA A 71 11.814 -5.530 -10.069 1.00 53.44 C ATOM 1053 C ALA A 71 12.555 -6.543 -9.195 1.00 13.13 C ATOM 1054 O ALA A 71 13.134 -6.200 -8.158 1.00 2.04 O ATOM 1055 CB ALA A 71 10.296 -5.623 -9.748 1.00 53.32 C ATOM 0 H ALA A 71 11.207 -6.117 -11.970 1.00 74.42 H new ATOM 0 HA ALA A 71 12.189 -4.528 -9.859 1.00 53.44 H new ATOM 0 HB1 ALA A 71 10.134 -5.414 -8.691 1.00 53.32 H new ATOM 0 HB2 ALA A 71 9.752 -4.895 -10.349 1.00 53.32 H new ATOM 0 HB3 ALA A 71 9.936 -6.626 -9.979 1.00 53.32 H new ATOM 1061 N GLY A 72 12.662 -7.784 -9.698 1.00 41.13 N ATOM 1062 CA GLY A 72 13.384 -8.824 -8.970 1.00 43.51 C ATOM 1063 C GLY A 72 14.863 -8.523 -8.929 1.00 21.04 C ATOM 1064 O GLY A 72 15.513 -8.722 -7.906 1.00 3.11 O ATOM 0 H GLY A 72 12.264 -8.082 -10.589 1.00 41.13 H new ATOM 0 HA2 GLY A 72 12.996 -8.899 -7.954 1.00 43.51 H new ATOM 0 HA3 GLY A 72 13.218 -9.790 -9.447 1.00 43.51 H new ATOM 1068 N VAL A 73 15.399 -8.044 -10.035 1.00 64.31 N ATOM 1069 CA VAL A 73 16.815 -7.720 -10.100 1.00 60.22 C ATOM 1070 C VAL A 73 17.113 -6.510 -9.203 1.00 33.33 C ATOM 1071 O VAL A 73 18.107 -6.510 -8.478 1.00 15.44 O ATOM 1072 CB VAL A 73 17.269 -7.440 -11.572 1.00 73.22 C ATOM 1073 CG1 VAL A 73 18.738 -7.027 -11.625 1.00 63.01 C ATOM 1074 CG2 VAL A 73 17.062 -8.684 -12.445 1.00 51.23 C ATOM 0 H VAL A 73 14.881 -7.871 -10.897 1.00 64.31 H new ATOM 0 HA VAL A 73 17.381 -8.579 -9.740 1.00 60.22 H new ATOM 0 HB VAL A 73 16.658 -6.622 -11.954 1.00 73.22 H new ATOM 0 HG11 VAL A 73 19.026 -6.839 -12.659 1.00 63.01 H new ATOM 0 HG12 VAL A 73 18.882 -6.120 -11.037 1.00 63.01 H new ATOM 0 HG13 VAL A 73 19.356 -7.827 -11.216 1.00 63.01 H new ATOM 0 HG21 VAL A 73 17.383 -8.471 -13.465 1.00 51.23 H new ATOM 0 HG22 VAL A 73 17.649 -9.511 -12.045 1.00 51.23 H new ATOM 0 HG23 VAL A 73 16.006 -8.956 -12.446 1.00 51.23 H new ATOM 1084 N ALA A 74 16.270 -5.485 -9.226 1.00 43.42 N ATOM 1085 CA ALA A 74 16.538 -4.276 -8.450 1.00 53.34 C ATOM 1086 C ALA A 74 16.619 -4.536 -6.947 1.00 22.04 C ATOM 1087 O ALA A 74 17.535 -4.060 -6.262 1.00 71.30 O ATOM 1088 CB ALA A 74 15.440 -3.229 -8.728 1.00 40.04 C ATOM 0 H ALA A 74 15.405 -5.463 -9.766 1.00 43.42 H new ATOM 0 HA ALA A 74 17.514 -3.907 -8.766 1.00 53.34 H new ATOM 0 HB1 ALA A 74 15.641 -2.328 -8.149 1.00 40.04 H new ATOM 0 HB2 ALA A 74 15.432 -2.983 -9.790 1.00 40.04 H new ATOM 0 HB3 ALA A 74 14.470 -3.635 -8.442 1.00 40.04 H new ATOM 1094 N ARG A 75 15.682 -5.317 -6.430 1.00 11.14 N ATOM 1095 CA ARG A 75 15.680 -5.641 -4.990 1.00 3.41 C ATOM 1096 C ARG A 75 16.869 -6.523 -4.637 1.00 43.42 C ATOM 1097 O ARG A 75 17.406 -6.438 -3.537 1.00 51.41 O ATOM 1098 CB ARG A 75 14.348 -6.261 -4.559 1.00 3.33 C ATOM 1099 CG ARG A 75 14.048 -7.631 -5.136 1.00 11.40 C ATOM 1100 CD ARG A 75 12.579 -7.975 -4.975 1.00 53.10 C ATOM 1101 NE ARG A 75 12.191 -8.078 -3.565 1.00 42.21 N ATOM 1102 CZ ARG A 75 10.949 -8.217 -3.122 1.00 55.44 C ATOM 1103 NH1 ARG A 75 9.927 -8.265 -3.931 1.00 24.44 N ATOM 1104 NH2 ARG A 75 10.727 -8.303 -1.833 1.00 32.24 N ATOM 0 H ARG A 75 14.922 -5.737 -6.965 1.00 11.14 H new ATOM 0 HA ARG A 75 15.786 -4.712 -4.429 1.00 3.41 H new ATOM 0 HB2 ARG A 75 14.336 -6.334 -3.471 1.00 3.33 H new ATOM 0 HB3 ARG A 75 13.543 -5.583 -4.842 1.00 3.33 H new ATOM 0 HG2 ARG A 75 14.317 -7.652 -6.192 1.00 11.40 H new ATOM 0 HG3 ARG A 75 14.659 -8.383 -4.636 1.00 11.40 H new ATOM 0 HD2 ARG A 75 11.972 -7.212 -5.463 1.00 53.10 H new ATOM 0 HD3 ARG A 75 12.370 -8.919 -5.478 1.00 53.10 H new ATOM 0 HE ARG A 75 12.936 -8.040 -2.869 1.00 42.21 H new ATOM 0 HH11 ARG A 75 10.070 -8.195 -4.938 1.00 24.44 H new ATOM 0 HH12 ARG A 75 8.984 -8.373 -3.556 1.00 24.44 H new ATOM 0 HH21 ARG A 75 11.507 -8.263 -1.177 1.00 32.24 H new ATOM 0 HH22 ARG A 75 9.774 -8.410 -1.486 1.00 32.24 H new