USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=8 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= 0.0606 X(o=0.24,f=0.37) USER MOD Set 1.2: A 67 SER OG : rot -160:sc= 0.177 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 73:sc= 0.741 USER MOD Single : A 19 TYR OH : rot -30:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0336 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 79:sc= 0.058 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.173 USER MOD ----------------------------------------------------------------- ATOM 117 N ALA A 10 14.630 3.917 -8.938 1.00 73.54 N ATOM 118 CA ALA A 10 15.795 4.406 -9.670 1.00 44.33 C ATOM 119 C ALA A 10 16.600 3.357 -10.443 1.00 64.22 C ATOM 120 O ALA A 10 16.969 3.607 -11.569 1.00 72.31 O ATOM 121 CB ALA A 10 16.698 5.155 -8.726 1.00 13.20 C ATOM 0 HA ALA A 10 15.388 5.055 -10.445 1.00 44.33 H new ATOM 0 HB1 ALA A 10 17.569 5.521 -9.269 1.00 13.20 H new ATOM 0 HB2 ALA A 10 16.157 5.998 -8.297 1.00 13.20 H new ATOM 0 HB3 ALA A 10 17.023 4.488 -7.927 1.00 13.20 H new ATOM 127 N THR A 11 16.885 2.202 -9.859 1.00 52.32 N ATOM 128 CA THR A 11 17.663 1.176 -10.556 1.00 34.45 C ATOM 129 C THR A 11 16.833 0.455 -11.613 1.00 54.45 C ATOM 130 O THR A 11 17.351 -0.100 -12.559 1.00 70.33 O ATOM 131 CB THR A 11 18.169 0.125 -9.574 1.00 62.10 C ATOM 132 OG1 THR A 11 18.402 0.748 -8.309 1.00 31.02 O ATOM 133 CG2 THR A 11 19.481 -0.482 -10.052 1.00 53.33 C ATOM 0 H THR A 11 16.595 1.949 -8.914 1.00 52.32 H new ATOM 0 HA THR A 11 18.495 1.692 -11.034 1.00 34.45 H new ATOM 0 HB THR A 11 17.419 -0.662 -9.495 1.00 62.10 H new ATOM 0 HG1 THR A 11 18.726 0.080 -7.670 1.00 31.02 H new ATOM 0 HG21 THR A 11 19.820 -1.228 -9.333 1.00 53.33 H new ATOM 0 HG22 THR A 11 19.331 -0.955 -11.023 1.00 53.33 H new ATOM 0 HG23 THR A 11 20.233 0.302 -10.143 1.00 53.33 H new ATOM 141 N GLU A 12 15.524 0.437 -11.444 1.00 30.31 N ATOM 142 CA GLU A 12 14.670 -0.303 -12.364 1.00 32.15 C ATOM 143 C GLU A 12 14.723 0.358 -13.735 1.00 21.21 C ATOM 144 O GLU A 12 14.679 -0.339 -14.735 1.00 21.12 O ATOM 145 CB GLU A 12 13.260 -0.362 -11.789 1.00 3.43 C ATOM 146 CG GLU A 12 13.263 -1.103 -10.457 1.00 21.35 C ATOM 147 CD GLU A 12 11.969 -1.098 -9.708 1.00 52.43 C ATOM 148 OE1 GLU A 12 11.005 -0.409 -10.101 1.00 64.23 O ATOM 149 OE2 GLU A 12 11.989 -1.677 -8.610 1.00 12.11 O ATOM 0 H GLU A 12 15.031 0.917 -10.691 1.00 30.31 H new ATOM 0 HA GLU A 12 15.016 -1.329 -12.487 1.00 32.15 H new ATOM 0 HB2 GLU A 12 12.874 0.648 -11.650 1.00 3.43 H new ATOM 0 HB3 GLU A 12 12.594 -0.864 -12.491 1.00 3.43 H new ATOM 0 HG2 GLU A 12 13.552 -2.138 -10.639 1.00 21.35 H new ATOM 0 HG3 GLU A 12 14.032 -0.665 -9.820 1.00 21.35 H new ATOM 156 N LYS A 13 14.926 1.687 -13.771 1.00 54.14 N ATOM 157 CA LYS A 13 15.042 2.369 -15.053 1.00 1.44 C ATOM 158 C LYS A 13 16.314 1.967 -15.793 1.00 50.51 C ATOM 159 O LYS A 13 16.350 2.003 -17.022 1.00 60.04 O ATOM 160 CB LYS A 13 14.976 3.876 -14.814 1.00 12.43 C ATOM 161 CG LYS A 13 16.351 4.538 -14.674 1.00 61.24 C ATOM 162 CD LYS A 13 16.211 5.971 -14.211 1.00 40.03 C ATOM 163 CE LYS A 13 17.584 6.652 -14.235 1.00 33.42 C ATOM 164 NZ LYS A 13 17.466 8.081 -13.781 1.00 20.42 N ATOM 0 H LYS A 13 15.010 2.286 -12.950 1.00 54.14 H new ATOM 0 HA LYS A 13 14.213 2.072 -15.696 1.00 1.44 H new ATOM 0 HB2 LYS A 13 14.440 4.343 -15.640 1.00 12.43 H new ATOM 0 HB3 LYS A 13 14.397 4.067 -13.910 1.00 12.43 H new ATOM 0 HG2 LYS A 13 16.958 3.979 -13.962 1.00 61.24 H new ATOM 0 HG3 LYS A 13 16.873 4.509 -15.631 1.00 61.24 H new ATOM 0 HD2 LYS A 13 15.516 6.507 -14.857 1.00 40.03 H new ATOM 0 HD3 LYS A 13 15.796 6.000 -13.203 1.00 40.03 H new ATOM 0 HE2 LYS A 13 18.276 6.114 -13.587 1.00 33.42 H new ATOM 0 HE3 LYS A 13 17.998 6.616 -15.243 1.00 33.42 H new ATOM 0 HZ1 LYS A 13 18.404 8.531 -13.802 1.00 20.42 H new ATOM 0 HZ2 LYS A 13 16.821 8.595 -14.415 1.00 20.42 H new ATOM 0 HZ3 LYS A 13 17.091 8.107 -12.811 1.00 20.42 H new ATOM 178 N VAL A 14 17.400 1.631 -15.094 1.00 33.51 N ATOM 179 CA VAL A 14 18.653 1.274 -15.758 1.00 12.25 C ATOM 180 C VAL A 14 18.494 -0.138 -16.308 1.00 22.51 C ATOM 181 O VAL A 14 18.990 -0.462 -17.367 1.00 23.32 O ATOM 182 CB VAL A 14 19.931 1.434 -14.839 1.00 23.45 C ATOM 183 CG1 VAL A 14 19.773 2.571 -13.827 1.00 34.31 C ATOM 184 CG2 VAL A 14 20.261 0.183 -14.041 1.00 42.23 C ATOM 0 H VAL A 14 17.437 1.599 -14.075 1.00 33.51 H new ATOM 0 HA VAL A 14 18.838 1.976 -16.571 1.00 12.25 H new ATOM 0 HB VAL A 14 20.737 1.644 -15.542 1.00 23.45 H new ATOM 0 HG11 VAL A 14 20.674 2.644 -13.218 1.00 34.31 H new ATOM 0 HG12 VAL A 14 19.616 3.511 -14.357 1.00 34.31 H new ATOM 0 HG13 VAL A 14 18.916 2.370 -13.184 1.00 34.31 H new ATOM 0 HG21 VAL A 14 21.148 0.363 -13.433 1.00 42.23 H new ATOM 0 HG22 VAL A 14 19.421 -0.067 -13.393 1.00 42.23 H new ATOM 0 HG23 VAL A 14 20.451 -0.645 -14.724 1.00 42.23 H new ATOM 194 N LEU A 15 17.751 -0.974 -15.615 1.00 61.04 N ATOM 195 CA LEU A 15 17.537 -2.349 -16.033 1.00 32.41 C ATOM 196 C LEU A 15 16.590 -2.366 -17.242 1.00 2.01 C ATOM 197 O LEU A 15 16.830 -3.099 -18.189 1.00 1.21 O ATOM 198 CB LEU A 15 16.919 -3.125 -14.887 1.00 60.22 C ATOM 199 CG LEU A 15 17.922 -3.368 -13.763 1.00 11.11 C ATOM 200 CD1 LEU A 15 17.193 -3.564 -12.496 1.00 24.42 C ATOM 201 CD2 LEU A 15 18.770 -4.578 -14.081 1.00 20.25 C ATOM 0 H LEU A 15 17.278 -0.723 -14.747 1.00 61.04 H new ATOM 0 HA LEU A 15 18.486 -2.807 -16.311 1.00 32.41 H new ATOM 0 HB2 LEU A 15 16.061 -2.577 -14.497 1.00 60.22 H new ATOM 0 HB3 LEU A 15 16.546 -4.081 -15.254 1.00 60.22 H new ATOM 0 HG LEU A 15 18.580 -2.505 -13.665 1.00 11.11 H new ATOM 0 HD11 LEU A 15 17.905 -3.738 -11.690 1.00 24.42 H new ATOM 0 HD12 LEU A 15 16.604 -2.674 -12.274 1.00 24.42 H new ATOM 0 HD13 LEU A 15 16.530 -4.425 -12.587 1.00 24.42 H new ATOM 0 HD21 LEU A 15 19.483 -4.745 -13.274 1.00 20.25 H new ATOM 0 HD22 LEU A 15 18.130 -5.454 -14.186 1.00 20.25 H new ATOM 0 HD23 LEU A 15 19.310 -4.409 -15.013 1.00 20.25 H new ATOM 213 N CYS A 16 15.586 -1.499 -17.250 1.00 11.31 N ATOM 214 CA CYS A 16 14.739 -1.353 -18.418 1.00 2.31 C ATOM 215 C CYS A 16 15.529 -0.938 -19.660 1.00 74.32 C ATOM 216 O CYS A 16 15.183 -1.346 -20.788 1.00 50.11 O ATOM 217 CB CYS A 16 13.658 -0.235 -18.138 1.00 65.23 C ATOM 218 SG CYS A 16 12.455 -0.711 -16.837 1.00 21.24 S ATOM 0 H CYS A 16 15.343 -0.893 -16.467 1.00 11.31 H new ATOM 0 HA CYS A 16 14.279 -2.323 -18.606 1.00 2.31 H new ATOM 0 HB2 CYS A 16 14.163 0.684 -17.840 1.00 65.23 H new ATOM 0 HB3 CYS A 16 13.120 -0.018 -19.061 1.00 65.23 H new ATOM 0 HG CYS A 16 13.033 -0.664 -15.673 1.00 21.24 H new ATOM 224 N ALA A 17 16.525 -0.103 -19.456 1.00 62.14 N ATOM 225 CA ALA A 17 17.340 0.293 -20.599 1.00 3.11 C ATOM 226 C ALA A 17 18.098 -0.882 -21.147 1.00 44.32 C ATOM 227 O ALA A 17 18.147 -1.118 -22.305 1.00 73.34 O ATOM 228 CB ALA A 17 18.344 1.441 -20.150 1.00 41.51 C ATOM 0 H ALA A 17 16.787 0.302 -18.557 1.00 62.14 H new ATOM 0 HA ALA A 17 16.689 0.667 -21.389 1.00 3.11 H new ATOM 0 HB1 ALA A 17 18.956 1.742 -21.000 1.00 41.51 H new ATOM 0 HB2 ALA A 17 17.777 2.299 -19.789 1.00 41.51 H new ATOM 0 HB3 ALA A 17 18.988 1.070 -19.352 1.00 41.51 H new ATOM 234 N LEU A 18 18.658 -1.610 -20.250 1.00 34.23 N ATOM 235 CA LEU A 18 19.426 -2.763 -20.574 1.00 63.53 C ATOM 236 C LEU A 18 18.610 -3.893 -21.293 1.00 4.15 C ATOM 237 O LEU A 18 19.084 -4.582 -22.215 1.00 45.53 O ATOM 238 CB LEU A 18 20.045 -3.330 -19.260 1.00 71.43 C ATOM 239 CG LEU A 18 21.539 -3.145 -19.030 1.00 20.21 C ATOM 240 CD1 LEU A 18 22.447 -3.311 -20.247 1.00 1.30 C ATOM 241 CD2 LEU A 18 21.810 -1.832 -18.364 1.00 71.23 C ATOM 0 H LEU A 18 18.596 -1.420 -19.250 1.00 34.23 H new ATOM 0 HA LEU A 18 20.193 -2.447 -21.281 1.00 63.53 H new ATOM 0 HB2 LEU A 18 19.520 -2.874 -18.421 1.00 71.43 H new ATOM 0 HB3 LEU A 18 19.833 -4.399 -19.226 1.00 71.43 H new ATOM 0 HG LEU A 18 21.804 -3.980 -18.381 1.00 20.21 H new ATOM 0 HD11 LEU A 18 23.484 -3.155 -19.951 1.00 1.30 H new ATOM 0 HD12 LEU A 18 22.333 -4.317 -20.652 1.00 1.30 H new ATOM 0 HD13 LEU A 18 22.173 -2.580 -21.008 1.00 1.30 H new ATOM 0 HD21 LEU A 18 22.883 -1.718 -18.208 1.00 71.23 H new ATOM 0 HD22 LEU A 18 21.447 -1.022 -18.996 1.00 71.23 H new ATOM 0 HD23 LEU A 18 21.298 -1.799 -17.402 1.00 71.23 H new ATOM 253 N TYR A 19 17.351 -4.007 -20.929 1.00 1.25 N ATOM 254 CA TYR A 19 16.425 -4.938 -21.563 1.00 55.20 C ATOM 255 C TYR A 19 16.112 -4.398 -22.961 1.00 32.30 C ATOM 256 O TYR A 19 16.153 -5.138 -23.941 1.00 51.32 O ATOM 257 CB TYR A 19 15.110 -5.045 -20.760 1.00 12.33 C ATOM 258 CG TYR A 19 15.097 -6.066 -19.641 1.00 13.53 C ATOM 259 CD1 TYR A 19 16.113 -6.098 -18.656 1.00 22.25 C ATOM 260 CD2 TYR A 19 14.027 -6.970 -19.518 1.00 25.30 C ATOM 261 CE1 TYR A 19 16.051 -7.020 -17.582 1.00 35.35 C ATOM 262 CE2 TYR A 19 13.967 -7.895 -18.450 1.00 70.20 C ATOM 263 CZ TYR A 19 14.978 -7.918 -17.493 1.00 1.32 C ATOM 264 OH TYR A 19 14.909 -8.811 -16.468 1.00 44.21 O ATOM 0 H TYR A 19 16.932 -3.455 -20.180 1.00 1.25 H new ATOM 0 HA TYR A 19 16.877 -5.929 -21.608 1.00 55.20 H new ATOM 0 HB2 TYR A 19 14.886 -4.067 -20.335 1.00 12.33 H new ATOM 0 HB3 TYR A 19 14.303 -5.284 -21.453 1.00 12.33 H new ATOM 0 HD1 TYR A 19 16.945 -5.412 -18.724 1.00 22.25 H new ATOM 0 HD2 TYR A 19 13.236 -6.958 -20.253 1.00 25.30 H new ATOM 0 HE1 TYR A 19 16.829 -7.031 -16.833 1.00 35.35 H new ATOM 0 HE2 TYR A 19 13.138 -8.583 -18.377 1.00 70.20 H new ATOM 0 HH TYR A 19 15.815 -9.048 -16.179 1.00 44.21 H new ATOM 274 N ALA A 20 15.786 -3.113 -23.053 1.00 43.24 N ATOM 275 CA ALA A 20 15.358 -2.512 -24.316 1.00 2.24 C ATOM 276 C ALA A 20 16.464 -2.509 -25.383 1.00 0.15 C ATOM 277 O ALA A 20 16.175 -2.672 -26.557 1.00 4.31 O ATOM 278 CB ALA A 20 14.872 -1.071 -24.056 1.00 13.21 C ATOM 0 H ALA A 20 15.809 -2.464 -22.267 1.00 43.24 H new ATOM 0 HA ALA A 20 14.546 -3.124 -24.709 1.00 2.24 H new ATOM 0 HB1 ALA A 20 14.552 -0.620 -24.995 1.00 13.21 H new ATOM 0 HB2 ALA A 20 14.034 -1.090 -23.359 1.00 13.21 H new ATOM 0 HB3 ALA A 20 15.686 -0.484 -23.630 1.00 13.21 H new ATOM 284 N GLU A 21 17.713 -2.355 -24.963 1.00 51.51 N ATOM 285 CA GLU A 21 18.847 -2.346 -25.893 1.00 62.21 C ATOM 286 C GLU A 21 18.983 -3.667 -26.623 1.00 31.41 C ATOM 287 O GLU A 21 19.384 -3.715 -27.778 1.00 31.41 O ATOM 288 CB GLU A 21 20.146 -2.098 -25.125 1.00 42.42 C ATOM 289 CG GLU A 21 20.389 -0.654 -24.755 1.00 25.11 C ATOM 290 CD GLU A 21 21.718 -0.157 -25.298 1.00 44.31 C ATOM 291 OE1 GLU A 21 21.822 0.038 -26.524 1.00 40.42 O ATOM 292 OE2 GLU A 21 22.672 -0.023 -24.509 1.00 43.34 O ATOM 0 H GLU A 21 17.972 -2.234 -23.984 1.00 51.51 H new ATOM 0 HA GLU A 21 18.663 -1.553 -26.618 1.00 62.21 H new ATOM 0 HB2 GLU A 21 20.134 -2.696 -24.214 1.00 42.42 H new ATOM 0 HB3 GLU A 21 20.983 -2.451 -25.728 1.00 42.42 H new ATOM 0 HG2 GLU A 21 19.581 -0.036 -25.146 1.00 25.11 H new ATOM 0 HG3 GLU A 21 20.375 -0.548 -23.670 1.00 25.11 H new ATOM 299 N ILE A 22 18.710 -4.744 -25.915 1.00 2.34 N ATOM 300 CA ILE A 22 18.885 -6.087 -26.442 1.00 34.21 C ATOM 301 C ILE A 22 17.651 -6.507 -27.248 1.00 14.12 C ATOM 302 O ILE A 22 17.770 -7.155 -28.284 1.00 14.21 O ATOM 303 CB ILE A 22 19.187 -7.082 -25.292 1.00 50.32 C ATOM 304 CG1 ILE A 22 20.540 -6.680 -24.652 1.00 72.44 C ATOM 305 CG2 ILE A 22 19.266 -8.544 -25.823 1.00 34.25 C ATOM 306 CD1 ILE A 22 20.909 -7.453 -23.409 1.00 51.33 C ATOM 0 H ILE A 22 18.360 -4.716 -24.957 1.00 2.34 H new ATOM 0 HA ILE A 22 19.740 -6.097 -27.118 1.00 34.21 H new ATOM 0 HB ILE A 22 18.385 -7.041 -24.555 1.00 50.32 H new ATOM 0 HG12 ILE A 22 21.329 -6.812 -25.392 1.00 72.44 H new ATOM 0 HG13 ILE A 22 20.508 -5.619 -24.406 1.00 72.44 H new ATOM 0 HG21 ILE A 22 19.479 -9.221 -24.995 1.00 34.25 H new ATOM 0 HG22 ILE A 22 18.315 -8.817 -26.280 1.00 34.25 H new ATOM 0 HG23 ILE A 22 20.060 -8.619 -26.566 1.00 34.25 H new ATOM 0 HD11 ILE A 22 21.870 -7.102 -23.034 1.00 51.33 H new ATOM 0 HD12 ILE A 22 20.145 -7.302 -22.646 1.00 51.33 H new ATOM 0 HD13 ILE A 22 20.979 -8.514 -23.648 1.00 51.33 H new ATOM 318 N LEU A 23 16.475 -6.144 -26.769 1.00 72.44 N ATOM 319 CA LEU A 23 15.236 -6.522 -27.448 1.00 15.42 C ATOM 320 C LEU A 23 14.896 -5.598 -28.628 1.00 31.21 C ATOM 321 O LEU A 23 14.145 -5.979 -29.496 1.00 54.35 O ATOM 322 CB LEU A 23 14.068 -6.537 -26.446 1.00 45.25 C ATOM 323 CG LEU A 23 13.792 -7.841 -25.661 1.00 72.13 C ATOM 324 CD1 LEU A 23 13.285 -8.913 -26.612 1.00 20.44 C ATOM 325 CD2 LEU A 23 14.989 -8.371 -24.880 1.00 42.52 C ATOM 0 H LEU A 23 16.345 -5.593 -25.921 1.00 72.44 H new ATOM 0 HA LEU A 23 15.392 -7.521 -27.856 1.00 15.42 H new ATOM 0 HB2 LEU A 23 14.242 -5.743 -25.720 1.00 45.25 H new ATOM 0 HB3 LEU A 23 13.160 -6.278 -26.990 1.00 45.25 H new ATOM 0 HG LEU A 23 13.036 -7.589 -24.917 1.00 72.13 H new ATOM 0 HD11 LEU A 23 13.091 -9.830 -26.056 1.00 20.44 H new ATOM 0 HD12 LEU A 23 12.363 -8.574 -27.085 1.00 20.44 H new ATOM 0 HD13 LEU A 23 14.036 -9.105 -27.378 1.00 20.44 H new ATOM 0 HD21 LEU A 23 14.708 -9.287 -24.360 1.00 42.52 H new ATOM 0 HD22 LEU A 23 15.808 -8.582 -25.568 1.00 42.52 H new ATOM 0 HD23 LEU A 23 15.309 -7.624 -24.153 1.00 42.52 H new ATOM 337 N GLY A 24 15.467 -4.394 -28.637 1.00 13.25 N ATOM 338 CA GLY A 24 15.237 -3.439 -29.719 1.00 22.31 C ATOM 339 C GLY A 24 13.910 -2.709 -29.635 1.00 12.34 C ATOM 340 O GLY A 24 13.302 -2.403 -30.654 1.00 32.21 O ATOM 0 H GLY A 24 16.093 -4.057 -27.906 1.00 13.25 H new ATOM 0 HA2 GLY A 24 16.043 -2.705 -29.718 1.00 22.31 H new ATOM 0 HA3 GLY A 24 15.288 -3.967 -30.671 1.00 22.31 H new ATOM 344 N VAL A 25 13.463 -2.426 -28.418 1.00 41.25 N ATOM 345 CA VAL A 25 12.157 -1.778 -28.207 1.00 33.51 C ATOM 346 C VAL A 25 12.320 -0.313 -27.797 1.00 4.33 C ATOM 347 O VAL A 25 13.324 0.076 -27.193 1.00 2.33 O ATOM 348 CB VAL A 25 11.287 -2.532 -27.146 1.00 43.11 C ATOM 349 CG1 VAL A 25 11.167 -4.003 -27.522 1.00 52.23 C ATOM 350 CG2 VAL A 25 11.894 -2.468 -25.751 1.00 3.10 C ATOM 0 H VAL A 25 13.976 -2.630 -27.560 1.00 41.25 H new ATOM 0 HA VAL A 25 11.636 -1.821 -29.163 1.00 33.51 H new ATOM 0 HB VAL A 25 10.314 -2.041 -27.137 1.00 43.11 H new ATOM 0 HG11 VAL A 25 10.560 -4.520 -26.779 1.00 52.23 H new ATOM 0 HG12 VAL A 25 10.695 -4.091 -28.501 1.00 52.23 H new ATOM 0 HG13 VAL A 25 12.160 -4.452 -27.556 1.00 52.23 H new ATOM 0 HG21 VAL A 25 11.254 -3.005 -25.051 1.00 3.10 H new ATOM 0 HG22 VAL A 25 12.883 -2.926 -25.763 1.00 3.10 H new ATOM 0 HG23 VAL A 25 11.980 -1.427 -25.439 1.00 3.10 H new ATOM 360 N GLU A 26 11.338 0.503 -28.144 1.00 74.51 N ATOM 361 CA GLU A 26 11.383 1.939 -27.831 1.00 2.31 C ATOM 362 C GLU A 26 11.144 2.210 -26.347 1.00 44.04 C ATOM 363 O GLU A 26 11.598 3.224 -25.795 1.00 3.05 O ATOM 364 CB GLU A 26 10.296 2.683 -28.617 1.00 21.11 C ATOM 365 CG GLU A 26 10.500 2.648 -30.124 1.00 23.02 C ATOM 366 CD GLU A 26 9.400 3.391 -30.857 1.00 74.24 C ATOM 367 OE1 GLU A 26 8.263 2.882 -30.871 1.00 70.22 O ATOM 368 OE2 GLU A 26 9.657 4.499 -31.378 1.00 72.41 O ATOM 0 H GLU A 26 10.499 0.206 -28.641 1.00 74.51 H new ATOM 0 HA GLU A 26 12.379 2.288 -28.105 1.00 2.31 H new ATOM 0 HB2 GLU A 26 9.326 2.247 -28.380 1.00 21.11 H new ATOM 0 HB3 GLU A 26 10.268 3.721 -28.287 1.00 21.11 H new ATOM 0 HG2 GLU A 26 11.465 3.091 -30.371 1.00 23.02 H new ATOM 0 HG3 GLU A 26 10.528 1.613 -30.463 1.00 23.02 H new ATOM 375 N ARG A 27 10.379 1.327 -25.715 1.00 2.12 N ATOM 376 CA ARG A 27 10.022 1.459 -24.307 1.00 72.02 C ATOM 377 C ARG A 27 9.697 0.076 -23.782 1.00 10.23 C ATOM 378 O ARG A 27 9.249 -0.772 -24.549 1.00 4.13 O ATOM 379 CB ARG A 27 8.796 2.385 -24.169 1.00 24.52 C ATOM 380 CG ARG A 27 8.660 3.062 -22.799 1.00 33.41 C ATOM 381 CD ARG A 27 9.770 4.103 -22.563 1.00 54.50 C ATOM 382 NE ARG A 27 9.726 5.184 -23.568 1.00 44.45 N ATOM 383 CZ ARG A 27 10.597 6.183 -23.660 1.00 0.33 C ATOM 384 NH1 ARG A 27 11.611 6.304 -22.833 1.00 72.44 N ATOM 385 NH2 ARG A 27 10.438 7.069 -24.610 1.00 15.43 N ATOM 0 H ARG A 27 9.989 0.499 -26.165 1.00 2.12 H new ATOM 0 HA ARG A 27 10.844 1.893 -23.738 1.00 72.02 H new ATOM 0 HB2 ARG A 27 8.851 3.156 -24.937 1.00 24.52 H new ATOM 0 HB3 ARG A 27 7.894 1.804 -24.364 1.00 24.52 H new ATOM 0 HG2 ARG A 27 7.686 3.547 -22.728 1.00 33.41 H new ATOM 0 HG3 ARG A 27 8.698 2.306 -22.015 1.00 33.41 H new ATOM 0 HD2 ARG A 27 9.664 4.529 -21.565 1.00 54.50 H new ATOM 0 HD3 ARG A 27 10.743 3.612 -22.598 1.00 54.50 H new ATOM 0 HE ARG A 27 8.965 5.162 -24.247 1.00 44.45 H new ATOM 0 HH11 ARG A 27 11.749 5.618 -22.091 1.00 72.44 H new ATOM 0 HH12 ARG A 27 12.260 7.084 -22.933 1.00 72.44 H new ATOM 0 HH21 ARG A 27 9.657 6.984 -25.261 1.00 15.43 H new ATOM 0 HH22 ARG A 27 11.095 7.844 -24.699 1.00 15.43 H new ATOM 399 N VAL A 28 9.917 -0.128 -22.492 1.00 25.14 N ATOM 400 CA VAL A 28 9.611 -1.388 -21.830 1.00 32.14 C ATOM 401 C VAL A 28 9.172 -0.996 -20.412 1.00 12.32 C ATOM 402 O VAL A 28 9.655 0.028 -19.883 1.00 60.42 O ATOM 403 CB VAL A 28 10.866 -2.320 -21.835 1.00 34.25 C ATOM 404 CG1 VAL A 28 12.027 -1.715 -21.054 1.00 11.13 C ATOM 405 CG2 VAL A 28 10.556 -3.692 -21.297 1.00 4.31 C ATOM 0 H VAL A 28 10.314 0.578 -21.872 1.00 25.14 H new ATOM 0 HA VAL A 28 8.827 -1.954 -22.332 1.00 32.14 H new ATOM 0 HB VAL A 28 11.162 -2.418 -22.880 1.00 34.25 H new ATOM 0 HG11 VAL A 28 12.878 -2.395 -21.083 1.00 11.13 H new ATOM 0 HG12 VAL A 28 12.309 -0.762 -21.501 1.00 11.13 H new ATOM 0 HG13 VAL A 28 11.725 -1.555 -20.019 1.00 11.13 H new ATOM 0 HG21 VAL A 28 11.458 -4.304 -21.320 1.00 4.31 H new ATOM 0 HG22 VAL A 28 10.200 -3.608 -20.270 1.00 4.31 H new ATOM 0 HG23 VAL A 28 9.785 -4.158 -21.911 1.00 4.31 H new ATOM 415 N GLY A 29 8.241 -1.741 -19.831 1.00 31.14 N ATOM 416 CA GLY A 29 7.782 -1.457 -18.483 1.00 12.32 C ATOM 417 C GLY A 29 8.602 -2.213 -17.460 1.00 73.31 C ATOM 418 O GLY A 29 9.379 -3.102 -17.790 1.00 34.42 O ATOM 0 H GLY A 29 7.792 -2.543 -20.272 1.00 31.14 H new ATOM 0 HA2 GLY A 29 7.850 -0.386 -18.290 1.00 12.32 H new ATOM 0 HA3 GLY A 29 6.732 -1.732 -18.387 1.00 12.32 H new ATOM 422 N VAL A 30 8.431 -1.876 -16.193 1.00 61.12 N ATOM 423 CA VAL A 30 9.206 -2.529 -15.119 1.00 12.51 C ATOM 424 C VAL A 30 8.716 -3.939 -14.816 1.00 50.41 C ATOM 425 O VAL A 30 9.427 -4.709 -14.155 1.00 0.40 O ATOM 426 CB VAL A 30 9.189 -1.695 -13.783 1.00 45.54 C ATOM 427 CG1 VAL A 30 9.987 -0.435 -13.962 1.00 42.31 C ATOM 428 CG2 VAL A 30 7.766 -1.377 -13.327 1.00 63.00 C ATOM 0 H VAL A 30 7.774 -1.165 -15.872 1.00 61.12 H new ATOM 0 HA VAL A 30 10.226 -2.584 -15.500 1.00 12.51 H new ATOM 0 HB VAL A 30 9.645 -2.301 -13.000 1.00 45.54 H new ATOM 0 HG11 VAL A 30 9.973 0.139 -13.036 1.00 42.31 H new ATOM 0 HG12 VAL A 30 11.016 -0.689 -14.216 1.00 42.31 H new ATOM 0 HG13 VAL A 30 9.552 0.160 -14.765 1.00 42.31 H new ATOM 0 HG21 VAL A 30 7.800 -0.801 -12.402 1.00 63.00 H new ATOM 0 HG22 VAL A 30 7.258 -0.797 -14.097 1.00 63.00 H new ATOM 0 HG23 VAL A 30 7.223 -2.306 -13.155 1.00 63.00 H new ATOM 438 N ASP A 31 7.524 -4.264 -15.278 1.00 4.22 N ATOM 439 CA ASP A 31 6.893 -5.553 -15.020 1.00 23.13 C ATOM 440 C ASP A 31 6.878 -6.419 -16.274 1.00 31.42 C ATOM 441 O ASP A 31 6.343 -7.522 -16.268 1.00 34.32 O ATOM 442 CB ASP A 31 5.468 -5.331 -14.509 1.00 3.33 C ATOM 443 CG ASP A 31 5.449 -4.690 -13.126 1.00 43.42 C ATOM 444 OD1 ASP A 31 6.043 -5.265 -12.184 1.00 70.24 O ATOM 445 OD2 ASP A 31 4.852 -3.604 -12.991 1.00 13.01 O ATOM 0 H ASP A 31 6.957 -3.637 -15.849 1.00 4.22 H new ATOM 0 HA ASP A 31 7.473 -6.078 -14.261 1.00 23.13 H new ATOM 0 HB2 ASP A 31 4.927 -4.696 -15.210 1.00 3.33 H new ATOM 0 HB3 ASP A 31 4.943 -6.286 -14.473 1.00 3.33 H new ATOM 450 N ASP A 32 7.467 -5.911 -17.345 1.00 52.04 N ATOM 451 CA ASP A 32 7.534 -6.656 -18.611 1.00 72.50 C ATOM 452 C ASP A 32 8.561 -7.764 -18.440 1.00 74.42 C ATOM 453 O ASP A 32 9.719 -7.521 -18.099 1.00 61.23 O ATOM 454 CB ASP A 32 7.971 -5.761 -19.774 1.00 72.15 C ATOM 455 CG ASP A 32 6.899 -4.766 -20.190 1.00 64.30 C ATOM 456 OD1 ASP A 32 5.827 -4.715 -19.567 1.00 55.54 O ATOM 457 OD2 ASP A 32 7.189 -3.965 -21.109 1.00 1.13 O ATOM 0 H ASP A 32 7.906 -4.991 -17.372 1.00 52.04 H new ATOM 0 HA ASP A 32 6.544 -7.048 -18.842 1.00 72.50 H new ATOM 0 HB2 ASP A 32 8.872 -5.218 -19.489 1.00 72.15 H new ATOM 0 HB3 ASP A 32 8.231 -6.386 -20.629 1.00 72.15 H new ATOM 462 N ALA A 33 8.122 -8.998 -18.616 1.00 43.24 N ATOM 463 CA ALA A 33 8.996 -10.138 -18.449 1.00 63.43 C ATOM 464 C ALA A 33 9.803 -10.336 -19.724 1.00 4.34 C ATOM 465 O ALA A 33 9.302 -10.126 -20.813 1.00 53.21 O ATOM 466 CB ALA A 33 8.176 -11.383 -18.121 1.00 34.30 C ATOM 0 H ALA A 33 7.164 -9.233 -18.875 1.00 43.24 H new ATOM 0 HA ALA A 33 9.682 -9.961 -17.620 1.00 63.43 H new ATOM 0 HB1 ALA A 33 8.843 -12.236 -17.997 1.00 34.30 H new ATOM 0 HB2 ALA A 33 7.620 -11.220 -17.198 1.00 34.30 H new ATOM 0 HB3 ALA A 33 7.478 -11.583 -18.934 1.00 34.30 H new ATOM 472 N PHE A 34 11.027 -10.827 -19.585 1.00 61.01 N ATOM 473 CA PHE A 34 11.878 -11.119 -20.735 1.00 50.13 C ATOM 474 C PHE A 34 11.193 -12.106 -21.696 1.00 64.04 C ATOM 475 O PHE A 34 11.418 -12.083 -22.911 1.00 33.03 O ATOM 476 CB PHE A 34 13.217 -11.672 -20.232 1.00 34.24 C ATOM 477 CG PHE A 34 14.352 -11.444 -21.184 1.00 1.13 C ATOM 478 CD1 PHE A 34 15.095 -10.250 -21.122 1.00 5.20 C ATOM 479 CD2 PHE A 34 14.709 -12.415 -22.136 1.00 60.24 C ATOM 480 CE1 PHE A 34 16.184 -10.024 -22.001 1.00 63.24 C ATOM 481 CE2 PHE A 34 15.794 -12.197 -23.014 1.00 54.44 C ATOM 482 CZ PHE A 34 16.539 -10.994 -22.948 1.00 51.32 C ATOM 0 H PHE A 34 11.456 -11.033 -18.683 1.00 61.01 H new ATOM 0 HA PHE A 34 12.055 -10.202 -21.296 1.00 50.13 H new ATOM 0 HB2 PHE A 34 13.457 -11.208 -19.275 1.00 34.24 H new ATOM 0 HB3 PHE A 34 13.114 -12.742 -20.051 1.00 34.24 H new ATOM 0 HD1 PHE A 34 14.832 -9.496 -20.395 1.00 5.20 H new ATOM 0 HD2 PHE A 34 14.149 -13.336 -22.197 1.00 60.24 H new ATOM 0 HE1 PHE A 34 16.742 -9.101 -21.941 1.00 63.24 H new ATOM 0 HE2 PHE A 34 16.057 -12.952 -23.740 1.00 54.44 H new ATOM 0 HZ PHE A 34 17.369 -10.827 -23.618 1.00 51.32 H new ATOM 492 N HIS A 35 10.323 -12.938 -21.146 1.00 42.34 N ATOM 493 CA HIS A 35 9.523 -13.871 -21.947 1.00 31.20 C ATOM 494 C HIS A 35 8.407 -13.173 -22.727 1.00 64.30 C ATOM 495 O HIS A 35 8.153 -13.522 -23.871 1.00 60.23 O ATOM 496 CB HIS A 35 8.871 -14.898 -21.016 1.00 51.43 C ATOM 497 CG HIS A 35 7.971 -15.872 -21.734 1.00 64.12 C ATOM 498 ND1 HIS A 35 8.407 -16.811 -22.640 1.00 11.22 N ATOM 499 CD2 HIS A 35 6.621 -16.044 -21.677 1.00 53.24 C ATOM 500 CE1 HIS A 35 7.359 -17.501 -23.066 1.00 45.43 C ATOM 501 NE2 HIS A 35 6.244 -17.089 -22.500 1.00 55.40 N ATOM 0 H HIS A 35 10.147 -12.991 -20.143 1.00 42.34 H new ATOM 0 HA HIS A 35 10.200 -14.339 -22.662 1.00 31.20 H new ATOM 0 HB2 HIS A 35 9.652 -15.452 -20.495 1.00 51.43 H new ATOM 0 HB3 HIS A 35 8.292 -14.373 -20.256 1.00 51.43 H new ATOM 0 HD2 HIS A 35 5.945 -15.452 -21.078 1.00 53.24 H new ATOM 0 HE1 HIS A 35 7.413 -18.302 -23.788 1.00 45.43 H new ATOM 0 HE2 HIS A 35 5.304 -17.461 -22.639 1.00 55.40 H new ATOM 509 N ASP A 36 7.738 -12.205 -22.102 1.00 31.34 N ATOM 510 CA ASP A 36 6.616 -11.504 -22.724 1.00 72.15 C ATOM 511 C ASP A 36 7.132 -10.691 -23.905 1.00 51.20 C ATOM 512 O ASP A 36 6.470 -10.548 -24.920 1.00 31.43 O ATOM 513 CB ASP A 36 5.960 -10.576 -21.695 1.00 73.31 C ATOM 514 CG ASP A 36 4.565 -10.123 -22.125 1.00 41.30 C ATOM 515 OD1 ASP A 36 3.636 -10.961 -22.090 1.00 72.11 O ATOM 516 OD2 ASP A 36 4.395 -8.929 -22.417 1.00 65.34 O ATOM 0 H ASP A 36 7.956 -11.887 -21.158 1.00 31.34 H new ATOM 0 HA ASP A 36 5.876 -12.223 -23.075 1.00 72.15 H new ATOM 0 HB2 ASP A 36 5.893 -11.091 -20.737 1.00 73.31 H new ATOM 0 HB3 ASP A 36 6.592 -9.701 -21.543 1.00 73.31 H new ATOM 521 N LEU A 37 8.368 -10.242 -23.777 1.00 72.23 N ATOM 522 CA LEU A 37 9.060 -9.506 -24.837 1.00 24.25 C ATOM 523 C LEU A 37 9.575 -10.429 -25.956 1.00 51.40 C ATOM 524 O LEU A 37 10.192 -9.975 -26.912 1.00 31.11 O ATOM 525 CB LEU A 37 10.250 -8.757 -24.216 1.00 70.45 C ATOM 526 CG LEU A 37 9.900 -7.693 -23.164 1.00 3.21 C ATOM 527 CD1 LEU A 37 11.193 -7.219 -22.460 1.00 74.54 C ATOM 528 CD2 LEU A 37 9.186 -6.506 -23.815 1.00 43.32 C ATOM 0 H LEU A 37 8.928 -10.375 -22.935 1.00 72.23 H new ATOM 0 HA LEU A 37 8.346 -8.816 -25.287 1.00 24.25 H new ATOM 0 HB2 LEU A 37 10.915 -9.489 -23.757 1.00 70.45 H new ATOM 0 HB3 LEU A 37 10.810 -8.276 -25.018 1.00 70.45 H new ATOM 0 HG LEU A 37 9.228 -8.132 -22.427 1.00 3.21 H new ATOM 0 HD11 LEU A 37 10.945 -6.464 -21.714 1.00 74.54 H new ATOM 0 HD12 LEU A 37 11.674 -8.067 -21.973 1.00 74.54 H new ATOM 0 HD13 LEU A 37 11.873 -6.791 -23.197 1.00 74.54 H new ATOM 0 HD21 LEU A 37 8.947 -5.763 -23.054 1.00 43.32 H new ATOM 0 HD22 LEU A 37 9.836 -6.058 -24.567 1.00 43.32 H new ATOM 0 HD23 LEU A 37 8.266 -6.850 -24.289 1.00 43.32 H new ATOM 540 N GLY A 38 9.345 -11.729 -25.813 1.00 32.24 N ATOM 541 CA GLY A 38 9.768 -12.701 -26.816 1.00 63.11 C ATOM 542 C GLY A 38 11.264 -13.003 -26.806 1.00 20.35 C ATOM 543 O GLY A 38 11.819 -13.512 -27.772 1.00 5.11 O ATOM 0 H GLY A 38 8.866 -12.136 -25.010 1.00 32.24 H new ATOM 0 HA2 GLY A 38 9.221 -13.630 -26.658 1.00 63.11 H new ATOM 0 HA3 GLY A 38 9.490 -12.331 -27.803 1.00 63.11 H new ATOM 547 N GLY A 39 11.937 -12.653 -25.724 1.00 21.05 N ATOM 548 CA GLY A 39 13.369 -12.811 -25.656 1.00 2.22 C ATOM 549 C GLY A 39 13.803 -14.251 -25.464 1.00 75.33 C ATOM 550 O GLY A 39 13.107 -15.058 -24.862 1.00 14.54 O ATOM 0 H GLY A 39 11.511 -12.259 -24.885 1.00 21.05 H new ATOM 0 HA2 GLY A 39 13.815 -12.423 -26.572 1.00 2.22 H new ATOM 0 HA3 GLY A 39 13.756 -12.209 -24.834 1.00 2.22 H new ATOM 554 N SER A 40 14.992 -14.588 -25.953 1.00 45.31 N ATOM 555 CA SER A 40 15.500 -15.956 -25.832 1.00 60.15 C ATOM 556 C SER A 40 16.412 -16.057 -24.616 1.00 75.25 C ATOM 557 O SER A 40 16.992 -15.062 -24.187 1.00 61.33 O ATOM 558 CB SER A 40 16.283 -16.313 -27.114 1.00 13.23 C ATOM 559 OG SER A 40 16.759 -17.626 -27.066 1.00 0.22 O ATOM 0 H SER A 40 15.619 -13.942 -26.433 1.00 45.31 H new ATOM 0 HA SER A 40 14.671 -16.652 -25.707 1.00 60.15 H new ATOM 0 HB2 SER A 40 15.638 -16.189 -27.984 1.00 13.23 H new ATOM 0 HB3 SER A 40 17.119 -15.624 -27.236 1.00 13.23 H new ATOM 0 HG SER A 40 17.249 -17.827 -27.890 1.00 0.22 H new ATOM 565 N SER A 41 16.621 -17.269 -24.116 1.00 73.14 N ATOM 566 CA SER A 41 17.582 -17.476 -23.027 1.00 0.41 C ATOM 567 C SER A 41 18.977 -17.153 -23.545 1.00 52.30 C ATOM 568 O SER A 41 19.853 -16.742 -22.787 1.00 44.43 O ATOM 569 CB SER A 41 17.531 -18.920 -22.533 1.00 53.01 C ATOM 570 OG SER A 41 17.679 -19.838 -23.610 1.00 34.34 O ATOM 0 H SER A 41 16.149 -18.114 -24.437 1.00 73.14 H new ATOM 0 HA SER A 41 17.331 -16.823 -22.191 1.00 0.41 H new ATOM 0 HB2 SER A 41 18.321 -19.085 -21.800 1.00 53.01 H new ATOM 0 HB3 SER A 41 16.583 -19.100 -22.026 1.00 53.01 H new ATOM 0 HG SER A 41 17.644 -20.755 -23.265 1.00 34.34 H new ATOM 576 N ALA A 42 19.159 -17.257 -24.856 1.00 72.32 N ATOM 577 CA ALA A 42 20.421 -16.899 -25.499 1.00 3.02 C ATOM 578 C ALA A 42 20.656 -15.375 -25.411 1.00 2.25 C ATOM 579 O ALA A 42 21.779 -14.935 -25.191 1.00 21.24 O ATOM 580 CB ALA A 42 20.412 -17.365 -26.963 1.00 23.44 C ATOM 0 H ALA A 42 18.442 -17.589 -25.501 1.00 72.32 H new ATOM 0 HA ALA A 42 21.239 -17.399 -24.980 1.00 3.02 H new ATOM 0 HB1 ALA A 42 21.356 -17.095 -27.437 1.00 23.44 H new ATOM 0 HB2 ALA A 42 20.284 -18.447 -27.000 1.00 23.44 H new ATOM 0 HB3 ALA A 42 19.590 -16.884 -27.493 1.00 23.44 H new ATOM 586 N LEU A 43 19.588 -14.590 -25.507 1.00 23.12 N ATOM 587 CA LEU A 43 19.696 -13.139 -25.386 1.00 72.54 C ATOM 588 C LEU A 43 19.929 -12.824 -23.920 1.00 34.02 C ATOM 589 O LEU A 43 20.648 -11.877 -23.581 1.00 13.24 O ATOM 590 CB LEU A 43 18.422 -12.429 -25.853 1.00 40.23 C ATOM 591 CG LEU A 43 17.914 -12.615 -27.274 1.00 15.11 C ATOM 592 CD1 LEU A 43 16.748 -11.662 -27.496 1.00 65.32 C ATOM 593 CD2 LEU A 43 18.992 -12.378 -28.344 1.00 31.12 C ATOM 0 H LEU A 43 18.641 -14.932 -25.668 1.00 23.12 H new ATOM 0 HA LEU A 43 20.514 -12.788 -26.015 1.00 72.54 H new ATOM 0 HB2 LEU A 43 17.619 -12.733 -25.181 1.00 40.23 H new ATOM 0 HB3 LEU A 43 18.575 -11.360 -25.703 1.00 40.23 H new ATOM 0 HG LEU A 43 17.604 -13.654 -27.381 1.00 15.11 H new ATOM 0 HD11 LEU A 43 16.369 -11.781 -28.511 1.00 65.32 H new ATOM 0 HD12 LEU A 43 15.954 -11.887 -26.784 1.00 65.32 H new ATOM 0 HD13 LEU A 43 17.085 -10.635 -27.352 1.00 65.32 H new ATOM 0 HD21 LEU A 43 18.561 -12.527 -29.334 1.00 31.12 H new ATOM 0 HD22 LEU A 43 19.368 -11.358 -28.262 1.00 31.12 H new ATOM 0 HD23 LEU A 43 19.812 -13.080 -28.196 1.00 31.12 H new ATOM 605 N ALA A 44 19.319 -13.623 -23.042 1.00 64.20 N ATOM 606 CA ALA A 44 19.434 -13.417 -21.609 1.00 62.23 C ATOM 607 C ALA A 44 20.887 -13.594 -21.142 1.00 64.14 C ATOM 608 O ALA A 44 21.320 -12.943 -20.221 1.00 11.41 O ATOM 609 CB ALA A 44 18.488 -14.351 -20.875 1.00 75.13 C ATOM 0 H ALA A 44 18.740 -14.420 -23.306 1.00 64.20 H new ATOM 0 HA ALA A 44 19.148 -12.392 -21.375 1.00 62.23 H new ATOM 0 HB1 ALA A 44 18.580 -14.191 -19.801 1.00 75.13 H new ATOM 0 HB2 ALA A 44 17.463 -14.149 -21.186 1.00 75.13 H new ATOM 0 HB3 ALA A 44 18.741 -15.385 -21.111 1.00 75.13 H new ATOM 615 N MET A 45 21.650 -14.434 -21.813 1.00 21.32 N ATOM 616 CA MET A 45 23.070 -14.579 -21.496 1.00 24.13 C ATOM 617 C MET A 45 23.814 -13.270 -21.787 1.00 14.15 C ATOM 618 O MET A 45 24.728 -12.900 -21.054 1.00 54.35 O ATOM 619 CB MET A 45 23.712 -15.695 -22.327 1.00 65.02 C ATOM 620 CG MET A 45 23.172 -17.086 -22.048 1.00 62.12 C ATOM 621 SD MET A 45 23.934 -18.288 -23.163 1.00 64.33 S ATOM 622 CE MET A 45 22.839 -19.662 -22.960 1.00 44.14 C ATOM 0 H MET A 45 21.321 -15.025 -22.576 1.00 21.32 H new ATOM 0 HA MET A 45 23.145 -14.829 -20.438 1.00 24.13 H new ATOM 0 HB2 MET A 45 23.569 -15.470 -23.384 1.00 65.02 H new ATOM 0 HB3 MET A 45 24.786 -15.694 -22.143 1.00 65.02 H new ATOM 0 HG2 MET A 45 23.373 -17.361 -21.013 1.00 62.12 H new ATOM 0 HG3 MET A 45 22.090 -17.096 -22.176 1.00 62.12 H new ATOM 0 HE1 MET A 45 23.174 -20.490 -23.585 1.00 44.14 H new ATOM 0 HE2 MET A 45 22.836 -19.974 -21.916 1.00 44.14 H new ATOM 0 HE3 MET A 45 21.831 -19.370 -23.254 1.00 44.14 H new ATOM 632 N ARG A 46 23.407 -12.562 -22.829 1.00 63.34 N ATOM 633 CA ARG A 46 24.038 -11.272 -23.160 1.00 31.34 C ATOM 634 C ARG A 46 23.629 -10.223 -22.145 1.00 34.04 C ATOM 635 O ARG A 46 24.414 -9.345 -21.786 1.00 23.05 O ATOM 636 CB ARG A 46 23.654 -10.791 -24.560 1.00 72.22 C ATOM 637 CG ARG A 46 24.036 -11.763 -25.660 1.00 10.31 C ATOM 638 CD ARG A 46 23.824 -11.139 -27.028 1.00 31.32 C ATOM 639 NE ARG A 46 24.096 -12.106 -28.101 1.00 34.42 N ATOM 640 CZ ARG A 46 25.298 -12.374 -28.607 1.00 20.45 C ATOM 641 NH1 ARG A 46 26.390 -11.779 -28.197 1.00 42.02 N ATOM 642 NH2 ARG A 46 25.399 -13.270 -29.547 1.00 53.33 N ATOM 0 H ARG A 46 22.655 -12.844 -23.458 1.00 63.34 H new ATOM 0 HA ARG A 46 25.117 -11.421 -23.136 1.00 31.34 H new ATOM 0 HB2 ARG A 46 22.578 -10.620 -24.594 1.00 72.22 H new ATOM 0 HB3 ARG A 46 24.135 -9.832 -24.751 1.00 72.22 H new ATOM 0 HG2 ARG A 46 25.080 -12.056 -25.547 1.00 10.31 H new ATOM 0 HG3 ARG A 46 23.439 -12.671 -25.573 1.00 10.31 H new ATOM 0 HD2 ARG A 46 22.799 -10.778 -27.111 1.00 31.32 H new ATOM 0 HD3 ARG A 46 24.477 -10.273 -27.141 1.00 31.32 H new ATOM 0 HE ARG A 46 23.300 -12.612 -28.489 1.00 34.42 H new ATOM 0 HH11 ARG A 46 26.342 -11.076 -27.459 1.00 42.02 H new ATOM 0 HH12 ARG A 46 27.289 -12.018 -28.615 1.00 42.02 H new ATOM 0 HH21 ARG A 46 24.566 -13.753 -29.883 1.00 53.33 H new ATOM 0 HH22 ARG A 46 26.311 -13.489 -29.947 1.00 53.33 H new ATOM 656 N LEU A 47 22.399 -10.339 -21.664 1.00 54.10 N ATOM 657 CA LEU A 47 21.873 -9.435 -20.640 1.00 4.31 C ATOM 658 C LEU A 47 22.733 -9.535 -19.387 1.00 41.04 C ATOM 659 O LEU A 47 23.035 -8.517 -18.782 1.00 2.31 O ATOM 660 CB LEU A 47 20.417 -9.781 -20.319 1.00 73.11 C ATOM 661 CG LEU A 47 19.723 -8.881 -19.284 1.00 14.34 C ATOM 662 CD1 LEU A 47 19.583 -7.420 -19.716 1.00 50.41 C ATOM 663 CD2 LEU A 47 18.351 -9.440 -19.004 1.00 41.42 C ATOM 0 H LEU A 47 21.739 -11.055 -21.967 1.00 54.10 H new ATOM 0 HA LEU A 47 21.904 -8.412 -21.015 1.00 4.31 H new ATOM 0 HB2 LEU A 47 19.843 -9.745 -21.245 1.00 73.11 H new ATOM 0 HB3 LEU A 47 20.379 -10.810 -19.960 1.00 73.11 H new ATOM 0 HG LEU A 47 20.357 -8.879 -18.397 1.00 14.34 H new ATOM 0 HD11 LEU A 47 19.083 -6.854 -18.930 1.00 50.41 H new ATOM 0 HD12 LEU A 47 20.572 -6.997 -19.895 1.00 50.41 H new ATOM 0 HD13 LEU A 47 18.994 -7.366 -20.632 1.00 50.41 H new ATOM 0 HD21 LEU A 47 17.845 -8.812 -18.271 1.00 41.42 H new ATOM 0 HD22 LEU A 47 17.771 -9.460 -19.927 1.00 41.42 H new ATOM 0 HD23 LEU A 47 18.444 -10.453 -18.612 1.00 41.42 H new ATOM 675 N ILE A 48 23.168 -10.736 -19.026 1.00 14.50 N ATOM 676 CA ILE A 48 24.020 -10.913 -17.841 1.00 32.33 C ATOM 677 C ILE A 48 25.314 -10.117 -17.998 1.00 74.02 C ATOM 678 O ILE A 48 25.734 -9.405 -17.088 1.00 50.32 O ATOM 679 CB ILE A 48 24.390 -12.423 -17.602 1.00 21.22 C ATOM 680 CG1 ILE A 48 23.097 -13.242 -17.385 1.00 11.31 C ATOM 681 CG2 ILE A 48 25.341 -12.569 -16.364 1.00 54.14 C ATOM 682 CD1 ILE A 48 23.307 -14.755 -17.250 1.00 71.43 C ATOM 0 H ILE A 48 22.952 -11.598 -19.526 1.00 14.50 H new ATOM 0 HA ILE A 48 23.451 -10.553 -16.984 1.00 32.33 H new ATOM 0 HB ILE A 48 24.914 -12.803 -18.479 1.00 21.22 H new ATOM 0 HG12 ILE A 48 22.600 -12.877 -16.486 1.00 11.31 H new ATOM 0 HG13 ILE A 48 22.422 -13.057 -18.221 1.00 11.31 H new ATOM 0 HG21 ILE A 48 25.585 -13.621 -16.215 1.00 54.14 H new ATOM 0 HG22 ILE A 48 26.257 -12.005 -16.540 1.00 54.14 H new ATOM 0 HG23 ILE A 48 24.843 -12.183 -15.475 1.00 54.14 H new ATOM 0 HD11 ILE A 48 22.344 -15.244 -17.101 1.00 71.43 H new ATOM 0 HD12 ILE A 48 23.773 -15.140 -18.157 1.00 71.43 H new ATOM 0 HD13 ILE A 48 23.953 -14.958 -16.396 1.00 71.43 H new ATOM 694 N ALA A 49 25.948 -10.245 -19.148 1.00 71.24 N ATOM 695 CA ALA A 49 27.232 -9.585 -19.386 1.00 45.14 C ATOM 696 C ALA A 49 27.113 -8.058 -19.351 1.00 25.42 C ATOM 697 O ALA A 49 27.887 -7.384 -18.693 1.00 32.30 O ATOM 698 CB ALA A 49 27.805 -10.042 -20.723 1.00 22.32 C ATOM 0 H ALA A 49 25.602 -10.796 -19.934 1.00 71.24 H new ATOM 0 HA ALA A 49 27.907 -9.872 -18.580 1.00 45.14 H new ATOM 0 HB1 ALA A 49 28.761 -9.548 -20.897 1.00 22.32 H new ATOM 0 HB2 ALA A 49 27.952 -11.122 -20.706 1.00 22.32 H new ATOM 0 HB3 ALA A 49 27.112 -9.783 -21.523 1.00 22.32 H new ATOM 704 N ARG A 50 26.125 -7.526 -20.051 1.00 65.32 N ATOM 705 CA ARG A 50 25.935 -6.060 -20.121 1.00 62.45 C ATOM 706 C ARG A 50 25.571 -5.491 -18.752 1.00 13.43 C ATOM 707 O ARG A 50 26.033 -4.427 -18.360 1.00 15.20 O ATOM 708 CB ARG A 50 24.858 -5.705 -21.136 1.00 64.02 C ATOM 709 CG ARG A 50 25.182 -6.058 -22.594 1.00 61.55 C ATOM 710 CD ARG A 50 26.229 -5.115 -23.209 1.00 23.11 C ATOM 711 NE ARG A 50 25.737 -3.727 -23.332 1.00 4.00 N ATOM 712 CZ ARG A 50 25.013 -3.243 -24.340 1.00 33.24 C ATOM 713 NH1 ARG A 50 24.655 -3.972 -25.368 1.00 72.44 N ATOM 714 NH2 ARG A 50 24.642 -2.007 -24.304 1.00 13.41 N ATOM 0 H ARG A 50 25.441 -8.068 -20.579 1.00 65.32 H new ATOM 0 HA ARG A 50 26.878 -5.616 -20.441 1.00 62.45 H new ATOM 0 HB2 ARG A 50 23.936 -6.213 -20.854 1.00 64.02 H new ATOM 0 HB3 ARG A 50 24.664 -4.634 -21.074 1.00 64.02 H new ATOM 0 HG2 ARG A 50 25.548 -7.084 -22.644 1.00 61.55 H new ATOM 0 HG3 ARG A 50 24.268 -6.017 -23.186 1.00 61.55 H new ATOM 0 HD2 ARG A 50 27.129 -5.125 -22.593 1.00 23.11 H new ATOM 0 HD3 ARG A 50 26.513 -5.485 -24.194 1.00 23.11 H new ATOM 0 HE ARG A 50 25.973 -3.082 -22.578 1.00 4.00 H new ATOM 0 HH11 ARG A 50 24.931 -4.953 -25.419 1.00 72.44 H new ATOM 0 HH12 ARG A 50 24.100 -3.559 -26.118 1.00 72.44 H new ATOM 0 HH21 ARG A 50 24.904 -1.419 -23.513 1.00 13.41 H new ATOM 0 HH22 ARG A 50 24.087 -1.619 -25.067 1.00 13.41 H new ATOM 728 N ILE A 51 24.763 -6.227 -18.003 1.00 10.23 N ATOM 729 CA ILE A 51 24.424 -5.801 -16.639 1.00 25.42 C ATOM 730 C ILE A 51 25.698 -5.744 -15.795 1.00 24.32 C ATOM 731 O ILE A 51 25.878 -4.837 -14.991 1.00 0.20 O ATOM 732 CB ILE A 51 23.358 -6.751 -15.974 1.00 34.35 C ATOM 733 CG1 ILE A 51 21.962 -6.377 -16.519 1.00 32.44 C ATOM 734 CG2 ILE A 51 23.375 -6.616 -14.420 1.00 12.31 C ATOM 735 CD1 ILE A 51 20.836 -7.299 -16.070 1.00 21.13 C ATOM 0 H ILE A 51 24.335 -7.104 -18.301 1.00 10.23 H new ATOM 0 HA ILE A 51 23.975 -4.809 -16.692 1.00 25.42 H new ATOM 0 HB ILE A 51 23.598 -7.786 -16.220 1.00 34.35 H new ATOM 0 HG12 ILE A 51 21.726 -5.359 -16.208 1.00 32.44 H new ATOM 0 HG13 ILE A 51 22.000 -6.376 -17.608 1.00 32.44 H new ATOM 0 HG21 ILE A 51 22.629 -7.283 -13.989 1.00 12.31 H new ATOM 0 HG22 ILE A 51 24.362 -6.883 -14.042 1.00 12.31 H new ATOM 0 HG23 ILE A 51 23.146 -5.587 -14.142 1.00 12.31 H new ATOM 0 HD11 ILE A 51 19.894 -6.960 -16.501 1.00 21.13 H new ATOM 0 HD12 ILE A 51 21.043 -8.316 -16.405 1.00 21.13 H new ATOM 0 HD13 ILE A 51 20.764 -7.283 -14.982 1.00 21.13 H new ATOM 747 N ARG A 52 26.608 -6.681 -15.981 1.00 64.54 N ATOM 748 CA ARG A 52 27.864 -6.667 -15.215 1.00 20.10 C ATOM 749 C ARG A 52 28.737 -5.470 -15.573 1.00 22.35 C ATOM 750 O ARG A 52 29.466 -4.962 -14.728 1.00 35.34 O ATOM 751 CB ARG A 52 28.633 -7.971 -15.424 1.00 15.23 C ATOM 752 CG ARG A 52 29.176 -8.536 -14.115 1.00 44.14 C ATOM 753 CD ARG A 52 30.535 -7.943 -13.696 1.00 24.51 C ATOM 754 NE ARG A 52 31.621 -8.376 -14.589 1.00 52.10 N ATOM 755 CZ ARG A 52 32.296 -9.517 -14.471 1.00 11.51 C ATOM 756 NH1 ARG A 52 32.026 -10.398 -13.536 1.00 74.01 N ATOM 757 NH2 ARG A 52 33.253 -9.773 -15.321 1.00 40.41 N ATOM 0 H ARG A 52 26.516 -7.453 -16.641 1.00 64.54 H new ATOM 0 HA ARG A 52 27.601 -6.576 -14.161 1.00 20.10 H new ATOM 0 HB2 ARG A 52 27.978 -8.706 -15.891 1.00 15.23 H new ATOM 0 HB3 ARG A 52 29.459 -7.797 -16.113 1.00 15.23 H new ATOM 0 HG2 ARG A 52 28.451 -8.352 -13.323 1.00 44.14 H new ATOM 0 HG3 ARG A 52 29.276 -9.617 -14.211 1.00 44.14 H new ATOM 0 HD2 ARG A 52 30.473 -6.855 -13.701 1.00 24.51 H new ATOM 0 HD3 ARG A 52 30.763 -8.245 -12.674 1.00 24.51 H new ATOM 0 HE ARG A 52 31.876 -7.755 -15.357 1.00 52.10 H new ATOM 0 HH11 ARG A 52 31.276 -10.219 -12.868 1.00 74.01 H new ATOM 0 HH12 ARG A 52 32.566 -11.261 -13.478 1.00 74.01 H new ATOM 0 HH21 ARG A 52 33.472 -9.104 -16.059 1.00 40.41 H new ATOM 0 HH22 ARG A 52 33.782 -10.642 -15.247 1.00 40.41 H new ATOM 771 N GLU A 53 28.661 -5.011 -16.808 1.00 40.22 N ATOM 772 CA GLU A 53 29.447 -3.856 -17.226 1.00 0.03 C ATOM 773 C GLU A 53 28.875 -2.559 -16.642 1.00 23.33 C ATOM 774 O GLU A 53 29.637 -1.668 -16.264 1.00 63.43 O ATOM 775 CB GLU A 53 29.454 -3.756 -18.765 1.00 34.43 C ATOM 776 CG GLU A 53 30.217 -4.901 -19.438 1.00 15.22 C ATOM 777 CD GLU A 53 29.987 -4.992 -20.941 1.00 53.33 C ATOM 778 OE1 GLU A 53 28.968 -4.451 -21.427 1.00 3.14 O ATOM 779 OE2 GLU A 53 30.775 -5.689 -21.620 1.00 41.13 O ATOM 0 H GLU A 53 28.070 -5.413 -17.536 1.00 40.22 H new ATOM 0 HA GLU A 53 30.464 -3.989 -16.856 1.00 0.03 H new ATOM 0 HB2 GLU A 53 28.426 -3.750 -19.127 1.00 34.43 H new ATOM 0 HB3 GLU A 53 29.901 -2.807 -19.059 1.00 34.43 H new ATOM 0 HG2 GLU A 53 31.283 -4.775 -19.250 1.00 15.22 H new ATOM 0 HG3 GLU A 53 29.921 -5.843 -18.977 1.00 15.22 H new ATOM 786 N GLU A 54 27.568 -2.424 -16.644 1.00 34.51 N ATOM 787 CA GLU A 54 26.930 -1.164 -16.261 1.00 13.01 C ATOM 788 C GLU A 54 26.488 -1.046 -14.798 1.00 22.41 C ATOM 789 O GLU A 54 26.501 0.033 -14.222 1.00 13.13 O ATOM 790 CB GLU A 54 25.696 -0.958 -17.174 1.00 23.24 C ATOM 791 CG GLU A 54 26.025 -0.897 -18.660 1.00 31.41 C ATOM 792 CD GLU A 54 26.919 0.265 -19.064 1.00 34.33 C ATOM 793 OE1 GLU A 54 26.594 1.404 -18.689 1.00 72.25 O ATOM 794 OE2 GLU A 54 27.945 0.036 -19.748 1.00 63.01 O ATOM 0 H GLU A 54 26.918 -3.165 -16.905 1.00 34.51 H new ATOM 0 HA GLU A 54 27.695 -0.397 -16.383 1.00 13.01 H new ATOM 0 HB2 GLU A 54 24.991 -1.771 -17.002 1.00 23.24 H new ATOM 0 HB3 GLU A 54 25.194 -0.034 -16.886 1.00 23.24 H new ATOM 0 HG2 GLU A 54 26.510 -1.829 -18.950 1.00 31.41 H new ATOM 0 HG3 GLU A 54 25.093 -0.834 -19.223 1.00 31.41 H new ATOM 801 N LEU A 55 26.098 -2.161 -14.209 1.00 43.10 N ATOM 802 CA LEU A 55 25.621 -2.173 -12.819 1.00 3.05 C ATOM 803 C LEU A 55 26.644 -2.860 -11.905 1.00 44.25 C ATOM 804 O LEU A 55 26.538 -2.777 -10.684 1.00 23.45 O ATOM 805 CB LEU A 55 24.284 -2.905 -12.684 1.00 20.40 C ATOM 806 CG LEU A 55 23.047 -2.220 -13.271 1.00 74.11 C ATOM 807 CD1 LEU A 55 22.957 -2.262 -14.782 1.00 5.41 C ATOM 808 CD2 LEU A 55 21.815 -2.929 -12.689 1.00 21.24 C ATOM 0 H LEU A 55 26.098 -3.075 -14.662 1.00 43.10 H new ATOM 0 HA LEU A 55 25.488 -1.133 -12.522 1.00 3.05 H new ATOM 0 HB2 LEU A 55 24.385 -3.882 -13.157 1.00 20.40 H new ATOM 0 HB3 LEU A 55 24.101 -3.081 -11.624 1.00 20.40 H new ATOM 0 HG LEU A 55 23.107 -1.165 -13.006 1.00 74.11 H new ATOM 0 HD11 LEU A 55 22.050 -1.753 -15.107 1.00 5.41 H new ATOM 0 HD12 LEU A 55 23.826 -1.764 -15.212 1.00 5.41 H new ATOM 0 HD13 LEU A 55 22.931 -3.299 -15.116 1.00 5.41 H new ATOM 0 HD21 LEU A 55 20.910 -2.468 -13.084 1.00 21.24 H new ATOM 0 HD22 LEU A 55 21.837 -3.983 -12.966 1.00 21.24 H new ATOM 0 HD23 LEU A 55 21.823 -2.839 -11.603 1.00 21.24 H new ATOM 820 N GLY A 56 27.596 -3.570 -12.498 1.00 15.34 N ATOM 821 CA GLY A 56 28.650 -4.204 -11.718 1.00 64.14 C ATOM 822 C GLY A 56 28.236 -5.421 -10.894 1.00 14.21 C ATOM 823 O GLY A 56 28.978 -5.848 -10.013 1.00 32.34 O ATOM 0 H GLY A 56 27.660 -3.720 -13.505 1.00 15.34 H new ATOM 0 HA2 GLY A 56 29.447 -4.505 -12.398 1.00 64.14 H new ATOM 0 HA3 GLY A 56 29.072 -3.460 -11.043 1.00 64.14 H new ATOM 827 N VAL A 57 27.063 -5.982 -11.173 1.00 33.32 N ATOM 828 CA VAL A 57 26.588 -7.165 -10.435 1.00 51.53 C ATOM 829 C VAL A 57 26.578 -8.403 -11.301 1.00 11.44 C ATOM 830 O VAL A 57 26.051 -8.430 -12.405 1.00 14.11 O ATOM 831 CB VAL A 57 25.172 -6.911 -9.792 1.00 62.14 C ATOM 832 CG1 VAL A 57 24.163 -6.346 -10.798 1.00 72.33 C ATOM 833 CG2 VAL A 57 24.648 -8.229 -9.135 1.00 61.43 C ATOM 0 H VAL A 57 26.425 -5.647 -11.895 1.00 33.32 H new ATOM 0 HA VAL A 57 27.296 -7.341 -9.625 1.00 51.53 H new ATOM 0 HB VAL A 57 25.286 -6.149 -9.020 1.00 62.14 H new ATOM 0 HG11 VAL A 57 23.204 -6.190 -10.303 1.00 72.33 H new ATOM 0 HG12 VAL A 57 24.530 -5.396 -11.187 1.00 72.33 H new ATOM 0 HG13 VAL A 57 24.036 -7.050 -11.620 1.00 72.33 H new ATOM 0 HG21 VAL A 57 23.669 -8.050 -8.691 1.00 61.43 H new ATOM 0 HG22 VAL A 57 24.566 -9.006 -9.895 1.00 61.43 H new ATOM 0 HG23 VAL A 57 25.344 -8.551 -8.360 1.00 61.43 H new ATOM 843 N ASP A 58 27.216 -9.451 -10.766 1.00 53.43 N ATOM 844 CA ASP A 58 27.252 -10.753 -11.442 1.00 41.32 C ATOM 845 C ASP A 58 25.895 -11.435 -11.202 1.00 13.44 C ATOM 846 O ASP A 58 25.570 -11.801 -10.072 1.00 14.42 O ATOM 847 CB ASP A 58 28.390 -11.600 -10.857 1.00 33.02 C ATOM 848 CG ASP A 58 28.672 -12.833 -11.690 1.00 73.44 C ATOM 849 OD1 ASP A 58 27.734 -13.578 -12.020 1.00 64.22 O ATOM 850 OD2 ASP A 58 29.848 -13.039 -12.028 1.00 2.01 O ATOM 0 H ASP A 58 27.711 -9.424 -9.874 1.00 53.43 H new ATOM 0 HA ASP A 58 27.429 -10.637 -12.511 1.00 41.32 H new ATOM 0 HB2 ASP A 58 29.294 -10.994 -10.790 1.00 33.02 H new ATOM 0 HB3 ASP A 58 28.132 -11.901 -9.842 1.00 33.02 H new ATOM 855 N LEU A 59 25.073 -11.502 -12.238 1.00 33.21 N ATOM 856 CA LEU A 59 23.698 -11.978 -12.121 1.00 41.10 C ATOM 857 C LEU A 59 23.542 -13.397 -12.672 1.00 44.45 C ATOM 858 O LEU A 59 23.600 -13.606 -13.875 1.00 55.33 O ATOM 859 CB LEU A 59 22.778 -11.036 -12.905 1.00 14.24 C ATOM 860 CG LEU A 59 21.276 -11.311 -12.795 1.00 33.41 C ATOM 861 CD1 LEU A 59 20.762 -11.015 -11.388 1.00 71.13 C ATOM 862 CD2 LEU A 59 20.556 -10.442 -13.809 1.00 22.24 C ATOM 0 H LEU A 59 25.338 -11.229 -13.184 1.00 33.21 H new ATOM 0 HA LEU A 59 23.432 -11.993 -11.064 1.00 41.10 H new ATOM 0 HB2 LEU A 59 22.965 -10.016 -12.569 1.00 14.24 H new ATOM 0 HB3 LEU A 59 23.058 -11.081 -13.957 1.00 14.24 H new ATOM 0 HG LEU A 59 21.087 -12.365 -12.997 1.00 33.41 H new ATOM 0 HD11 LEU A 59 19.692 -11.220 -11.341 1.00 71.13 H new ATOM 0 HD12 LEU A 59 21.284 -11.647 -10.669 1.00 71.13 H new ATOM 0 HD13 LEU A 59 20.942 -9.967 -11.148 1.00 71.13 H new ATOM 0 HD21 LEU A 59 19.483 -10.623 -13.747 1.00 22.24 H new ATOM 0 HD22 LEU A 59 20.760 -9.392 -13.598 1.00 22.24 H new ATOM 0 HD23 LEU A 59 20.907 -10.686 -14.812 1.00 22.24 H new ATOM 874 N PRO A 60 23.310 -14.398 -11.810 1.00 71.32 N ATOM 875 CA PRO A 60 23.198 -15.729 -12.414 1.00 51.14 C ATOM 876 C PRO A 60 21.888 -15.938 -13.162 1.00 52.04 C ATOM 877 O PRO A 60 20.852 -15.346 -12.838 1.00 50.52 O ATOM 878 CB PRO A 60 23.303 -16.664 -11.207 1.00 74.43 C ATOM 879 CG PRO A 60 22.728 -15.873 -10.093 1.00 3.45 C ATOM 880 CD PRO A 60 23.191 -14.456 -10.341 1.00 55.14 C ATOM 0 HA PRO A 60 23.962 -15.900 -13.172 1.00 51.14 H new ATOM 0 HB2 PRO A 60 22.749 -17.589 -11.368 1.00 74.43 H new ATOM 0 HB3 PRO A 60 24.337 -16.943 -11.007 1.00 74.43 H new ATOM 0 HG2 PRO A 60 21.640 -15.937 -10.084 1.00 3.45 H new ATOM 0 HG3 PRO A 60 23.077 -16.239 -9.127 1.00 3.45 H new ATOM 0 HD2 PRO A 60 22.474 -13.726 -9.965 1.00 55.14 H new ATOM 0 HD3 PRO A 60 24.143 -14.251 -9.851 1.00 55.14 H new ATOM 888 N ILE A 61 21.923 -16.829 -14.142 1.00 64.53 N ATOM 889 CA ILE A 61 20.740 -17.142 -14.955 1.00 3.12 C ATOM 890 C ILE A 61 19.599 -17.701 -14.089 1.00 24.21 C ATOM 891 O ILE A 61 18.425 -17.524 -14.406 1.00 3.44 O ATOM 892 CB ILE A 61 21.119 -18.111 -16.146 1.00 11.12 C ATOM 893 CG1 ILE A 61 19.992 -18.203 -17.202 1.00 71.42 C ATOM 894 CG2 ILE A 61 21.449 -19.525 -15.626 1.00 34.30 C ATOM 895 CD1 ILE A 61 19.758 -16.918 -17.999 1.00 51.04 C ATOM 0 H ILE A 61 22.758 -17.354 -14.400 1.00 64.53 H new ATOM 0 HA ILE A 61 20.372 -16.216 -15.396 1.00 3.12 H new ATOM 0 HB ILE A 61 22.002 -17.685 -16.623 1.00 11.12 H new ATOM 0 HG12 ILE A 61 20.229 -19.008 -17.898 1.00 71.42 H new ATOM 0 HG13 ILE A 61 19.064 -18.478 -16.701 1.00 71.42 H new ATOM 0 HG21 ILE A 61 21.706 -20.171 -16.466 1.00 34.30 H new ATOM 0 HG22 ILE A 61 22.292 -19.472 -14.938 1.00 34.30 H new ATOM 0 HG23 ILE A 61 20.582 -19.933 -15.107 1.00 34.30 H new ATOM 0 HD11 ILE A 61 18.951 -17.076 -18.715 1.00 51.04 H new ATOM 0 HD12 ILE A 61 19.487 -16.112 -17.318 1.00 51.04 H new ATOM 0 HD13 ILE A 61 20.670 -16.650 -18.533 1.00 51.04 H new ATOM 907 N ARG A 62 19.929 -18.295 -12.947 1.00 4.35 N ATOM 908 CA ARG A 62 18.898 -18.777 -12.032 1.00 62.13 C ATOM 909 C ARG A 62 18.100 -17.623 -11.449 1.00 11.33 C ATOM 910 O ARG A 62 16.911 -17.753 -11.224 1.00 41.01 O ATOM 911 CB ARG A 62 19.499 -19.572 -10.875 1.00 22.13 C ATOM 912 CG ARG A 62 20.116 -20.917 -11.270 1.00 13.32 C ATOM 913 CD ARG A 62 20.199 -21.835 -10.041 1.00 53.51 C ATOM 914 NE ARG A 62 18.848 -22.279 -9.640 1.00 71.24 N ATOM 915 CZ ARG A 62 18.495 -22.710 -8.435 1.00 74.51 C ATOM 916 NH1 ARG A 62 19.333 -22.762 -7.428 1.00 64.24 N ATOM 917 NH2 ARG A 62 17.266 -23.104 -8.237 1.00 21.21 N ATOM 0 H ARG A 62 20.887 -18.453 -12.635 1.00 4.35 H new ATOM 0 HA ARG A 62 18.245 -19.424 -12.617 1.00 62.13 H new ATOM 0 HB2 ARG A 62 20.266 -18.964 -10.395 1.00 22.13 H new ATOM 0 HB3 ARG A 62 18.721 -19.749 -10.132 1.00 22.13 H new ATOM 0 HG2 ARG A 62 19.515 -21.389 -12.047 1.00 13.32 H new ATOM 0 HG3 ARG A 62 21.111 -20.762 -11.687 1.00 13.32 H new ATOM 0 HD2 ARG A 62 20.822 -22.701 -10.267 1.00 53.51 H new ATOM 0 HD3 ARG A 62 20.675 -21.306 -9.215 1.00 53.51 H new ATOM 0 HE ARG A 62 18.120 -22.252 -10.354 1.00 71.24 H new ATOM 0 HH11 ARG A 62 20.300 -22.464 -7.554 1.00 64.24 H new ATOM 0 HH12 ARG A 62 19.018 -23.100 -6.519 1.00 64.24 H new ATOM 0 HH21 ARG A 62 16.592 -23.078 -9.003 1.00 21.21 H new ATOM 0 HH22 ARG A 62 16.979 -23.438 -7.317 1.00 21.21 H new ATOM 931 N GLN A 63 18.761 -16.509 -11.182 1.00 22.44 N ATOM 932 CA GLN A 63 18.083 -15.368 -10.606 1.00 62.35 C ATOM 933 C GLN A 63 17.204 -14.741 -11.657 1.00 13.52 C ATOM 934 O GLN A 63 16.090 -14.378 -11.376 1.00 34.03 O ATOM 935 CB GLN A 63 19.077 -14.331 -10.088 1.00 70.40 C ATOM 936 CG GLN A 63 18.400 -13.186 -9.311 1.00 42.33 C ATOM 937 CD GLN A 63 17.709 -13.680 -8.056 1.00 5.30 C ATOM 938 OE1 GLN A 63 18.340 -14.248 -7.180 1.00 55.33 O ATOM 939 NE2 GLN A 63 16.420 -13.455 -7.961 1.00 1.21 N ATOM 0 H GLN A 63 19.757 -16.374 -11.354 1.00 22.44 H new ATOM 0 HA GLN A 63 17.485 -15.710 -9.762 1.00 62.35 H new ATOM 0 HB2 GLN A 63 19.803 -14.823 -9.441 1.00 70.40 H new ATOM 0 HB3 GLN A 63 19.631 -13.914 -10.929 1.00 70.40 H new ATOM 0 HG2 GLN A 63 19.147 -12.439 -9.043 1.00 42.33 H new ATOM 0 HG3 GLN A 63 17.672 -12.692 -9.955 1.00 42.33 H new ATOM 0 HE21 GLN A 63 15.929 -12.976 -8.716 1.00 1.21 H new ATOM 0 HE22 GLN A 63 15.909 -13.759 -7.132 1.00 1.21 H new ATOM 948 N LEU A 64 17.688 -14.676 -12.882 1.00 12.43 N ATOM 949 CA LEU A 64 16.887 -14.143 -13.982 1.00 14.25 C ATOM 950 C LEU A 64 15.616 -14.951 -14.203 1.00 1.40 C ATOM 951 O LEU A 64 14.582 -14.401 -14.505 1.00 70.14 O ATOM 952 CB LEU A 64 17.713 -14.102 -15.265 1.00 54.14 C ATOM 953 CG LEU A 64 18.096 -12.686 -15.732 1.00 4.44 C ATOM 954 CD1 LEU A 64 19.211 -12.758 -16.757 1.00 25.43 C ATOM 955 CD2 LEU A 64 16.871 -11.958 -16.320 1.00 30.43 C ATOM 0 H LEU A 64 18.625 -14.982 -13.146 1.00 12.43 H new ATOM 0 HA LEU A 64 16.590 -13.130 -13.710 1.00 14.25 H new ATOM 0 HB2 LEU A 64 18.625 -14.680 -15.114 1.00 54.14 H new ATOM 0 HB3 LEU A 64 17.152 -14.594 -16.060 1.00 54.14 H new ATOM 0 HG LEU A 64 18.448 -12.120 -14.870 1.00 4.44 H new ATOM 0 HD11 LEU A 64 19.474 -11.751 -17.080 1.00 25.43 H new ATOM 0 HD12 LEU A 64 20.084 -13.236 -16.312 1.00 25.43 H new ATOM 0 HD13 LEU A 64 18.878 -13.340 -17.617 1.00 25.43 H new ATOM 0 HD21 LEU A 64 17.162 -10.959 -16.644 1.00 30.43 H new ATOM 0 HD22 LEU A 64 16.489 -12.519 -17.173 1.00 30.43 H new ATOM 0 HD23 LEU A 64 16.094 -11.880 -15.559 1.00 30.43 H new ATOM 967 N PHE A 65 15.687 -16.258 -14.004 1.00 14.52 N ATOM 968 CA PHE A 65 14.504 -17.102 -14.195 1.00 71.31 C ATOM 969 C PHE A 65 13.491 -16.937 -13.061 1.00 53.55 C ATOM 970 O PHE A 65 12.308 -17.218 -13.231 1.00 11.44 O ATOM 971 CB PHE A 65 14.922 -18.562 -14.346 1.00 5.13 C ATOM 972 CG PHE A 65 15.080 -18.995 -15.782 1.00 41.20 C ATOM 973 CD1 PHE A 65 16.041 -18.381 -16.616 1.00 4.21 C ATOM 974 CD2 PHE A 65 14.252 -19.993 -16.324 1.00 34.31 C ATOM 975 CE1 PHE A 65 16.178 -18.761 -17.974 1.00 63.12 C ATOM 976 CE2 PHE A 65 14.374 -20.390 -17.685 1.00 22.25 C ATOM 977 CZ PHE A 65 15.339 -19.769 -18.508 1.00 2.41 C ATOM 0 H PHE A 65 16.530 -16.755 -13.716 1.00 14.52 H new ATOM 0 HA PHE A 65 14.008 -16.779 -15.110 1.00 71.31 H new ATOM 0 HB2 PHE A 65 15.865 -18.718 -13.821 1.00 5.13 H new ATOM 0 HB3 PHE A 65 14.179 -19.197 -13.863 1.00 5.13 H new ATOM 0 HD1 PHE A 65 16.681 -17.610 -16.212 1.00 4.21 H new ATOM 0 HD2 PHE A 65 13.511 -20.466 -15.697 1.00 34.31 H new ATOM 0 HE1 PHE A 65 16.919 -18.284 -18.599 1.00 63.12 H new ATOM 0 HE2 PHE A 65 13.733 -21.161 -18.086 1.00 22.25 H new ATOM 0 HZ PHE A 65 15.437 -20.062 -19.543 1.00 2.41 H new ATOM 987 N SER A 66 13.950 -16.440 -11.921 1.00 10.33 N ATOM 988 CA SER A 66 13.066 -16.169 -10.782 1.00 1.21 C ATOM 989 C SER A 66 12.655 -14.685 -10.767 1.00 72.33 C ATOM 990 O SER A 66 11.888 -14.241 -9.907 1.00 73.40 O ATOM 991 CB SER A 66 13.762 -16.526 -9.467 1.00 34.14 C ATOM 992 OG SER A 66 14.184 -17.888 -9.481 1.00 52.32 O ATOM 0 H SER A 66 14.931 -16.214 -11.754 1.00 10.33 H new ATOM 0 HA SER A 66 12.173 -16.785 -10.887 1.00 1.21 H new ATOM 0 HB2 SER A 66 14.622 -15.874 -9.315 1.00 34.14 H new ATOM 0 HB3 SER A 66 13.083 -16.358 -8.631 1.00 34.14 H new ATOM 0 HG SER A 66 15.007 -17.970 -10.006 1.00 52.32 H new ATOM 998 N SER A 67 13.278 -13.909 -11.639 1.00 41.42 N ATOM 999 CA SER A 67 13.105 -12.456 -11.704 1.00 63.31 C ATOM 1000 C SER A 67 13.241 -11.996 -13.161 1.00 22.24 C ATOM 1001 O SER A 67 14.244 -11.365 -13.516 1.00 15.31 O ATOM 1002 CB SER A 67 14.162 -11.794 -10.821 1.00 73.53 C ATOM 1003 OG SER A 67 14.038 -12.229 -9.467 1.00 64.14 O ATOM 0 H SER A 67 13.930 -14.271 -12.335 1.00 41.42 H new ATOM 0 HA SER A 67 12.117 -12.171 -11.344 1.00 63.31 H new ATOM 0 HB2 SER A 67 15.157 -12.035 -11.195 1.00 73.53 H new ATOM 0 HB3 SER A 67 14.056 -10.710 -10.870 1.00 73.53 H new ATOM 0 HG SER A 67 14.484 -11.588 -8.875 1.00 64.14 H new ATOM 1009 N PRO A 68 12.276 -12.363 -14.022 1.00 74.44 N ATOM 1010 CA PRO A 68 12.403 -12.055 -15.455 1.00 31.13 C ATOM 1011 C PRO A 68 12.052 -10.618 -15.837 1.00 30.44 C ATOM 1012 O PRO A 68 12.152 -10.263 -16.998 1.00 61.41 O ATOM 1013 CB PRO A 68 11.398 -13.012 -16.088 1.00 74.51 C ATOM 1014 CG PRO A 68 10.321 -13.087 -15.089 1.00 44.44 C ATOM 1015 CD PRO A 68 11.044 -13.146 -13.773 1.00 73.31 C ATOM 0 HA PRO A 68 13.437 -12.165 -15.783 1.00 31.13 H new ATOM 0 HB2 PRO A 68 11.033 -12.637 -17.044 1.00 74.51 H new ATOM 0 HB3 PRO A 68 11.839 -13.991 -16.277 1.00 74.51 H new ATOM 0 HG2 PRO A 68 9.665 -12.218 -15.145 1.00 44.44 H new ATOM 0 HG3 PRO A 68 9.697 -13.968 -15.241 1.00 44.44 H new ATOM 0 HD2 PRO A 68 10.449 -12.714 -12.968 1.00 73.31 H new ATOM 0 HD3 PRO A 68 11.272 -14.172 -13.485 1.00 73.31 H new ATOM 1023 N THR A 69 11.608 -9.809 -14.883 1.00 22.40 N ATOM 1024 CA THR A 69 11.257 -8.414 -15.127 1.00 55.31 C ATOM 1025 C THR A 69 12.357 -7.493 -14.597 1.00 43.45 C ATOM 1026 O THR A 69 13.043 -7.855 -13.622 1.00 63.35 O ATOM 1027 CB THR A 69 9.942 -8.027 -14.393 1.00 54.33 C ATOM 1028 OG1 THR A 69 10.124 -8.150 -12.983 1.00 0.50 O ATOM 1029 CG2 THR A 69 8.799 -8.950 -14.762 1.00 12.22 C ATOM 0 H THR A 69 11.480 -10.102 -13.914 1.00 22.40 H new ATOM 0 HA THR A 69 11.132 -8.299 -16.204 1.00 55.31 H new ATOM 0 HB THR A 69 9.705 -7.005 -14.688 1.00 54.33 H new ATOM 0 HG1 THR A 69 9.294 -7.904 -12.523 1.00 0.50 H new ATOM 0 HG21 THR A 69 7.899 -8.646 -14.228 1.00 12.22 H new ATOM 0 HG22 THR A 69 8.620 -8.896 -15.836 1.00 12.22 H new ATOM 0 HG23 THR A 69 9.055 -9.974 -14.488 1.00 12.22 H new ATOM 1037 N PRO A 70 12.494 -6.259 -15.138 1.00 2.54 N ATOM 1038 CA PRO A 70 13.462 -5.323 -14.510 1.00 22.21 C ATOM 1039 C PRO A 70 13.255 -5.092 -13.014 1.00 41.41 C ATOM 1040 O PRO A 70 14.237 -5.012 -12.273 1.00 41.50 O ATOM 1041 CB PRO A 70 13.226 -4.003 -15.306 1.00 1.30 C ATOM 1042 CG PRO A 70 12.671 -4.458 -16.580 1.00 42.52 C ATOM 1043 CD PRO A 70 11.830 -5.656 -16.301 1.00 71.13 C ATOM 0 HA PRO A 70 14.476 -5.720 -14.560 1.00 22.21 H new ATOM 0 HB2 PRO A 70 12.537 -3.339 -14.784 1.00 1.30 H new ATOM 0 HB3 PRO A 70 14.155 -3.451 -15.449 1.00 1.30 H new ATOM 0 HG2 PRO A 70 12.075 -3.671 -17.041 1.00 42.52 H new ATOM 0 HG3 PRO A 70 13.470 -4.705 -17.280 1.00 42.52 H new ATOM 0 HD2 PRO A 70 10.798 -5.383 -16.080 1.00 71.13 H new ATOM 0 HD3 PRO A 70 11.804 -6.338 -17.151 1.00 71.13 H new ATOM 1051 N ALA A 71 12.009 -4.972 -12.562 1.00 12.10 N ATOM 1052 CA ALA A 71 11.788 -4.724 -11.174 1.00 63.15 C ATOM 1053 C ALA A 71 12.249 -5.905 -10.304 1.00 44.11 C ATOM 1054 O ALA A 71 12.793 -5.759 -9.203 1.00 14.32 O ATOM 1055 CB ALA A 71 10.283 -4.469 -10.892 1.00 1.53 C ATOM 0 H ALA A 71 11.168 -5.043 -13.134 1.00 12.10 H new ATOM 0 HA ALA A 71 12.373 -3.841 -10.918 1.00 63.15 H new ATOM 0 HB1 ALA A 71 10.139 -4.282 -9.828 1.00 1.53 H new ATOM 0 HB2 ALA A 71 9.948 -3.602 -11.461 1.00 1.53 H new ATOM 0 HB3 ALA A 71 9.704 -5.343 -11.189 1.00 1.53 H new ATOM 1061 N GLY A 72 12.121 -7.104 -10.864 1.00 42.43 N ATOM 1062 CA GLY A 72 12.585 -8.310 -10.200 1.00 53.11 C ATOM 1063 C GLY A 72 14.097 -8.340 -10.037 1.00 3.14 C ATOM 1064 O GLY A 72 14.603 -8.699 -8.972 1.00 73.03 O ATOM 0 H GLY A 72 11.698 -7.263 -11.779 1.00 42.43 H new ATOM 0 HA2 GLY A 72 12.115 -8.384 -9.219 1.00 53.11 H new ATOM 0 HA3 GLY A 72 12.267 -9.181 -10.772 1.00 53.11 H new ATOM 1068 N VAL A 73 14.829 -7.931 -11.049 1.00 2.35 N ATOM 1069 CA VAL A 73 16.291 -7.925 -10.961 1.00 42.34 C ATOM 1070 C VAL A 73 16.727 -6.832 -9.963 1.00 0.31 C ATOM 1071 O VAL A 73 17.667 -7.029 -9.198 1.00 4.23 O ATOM 1072 CB VAL A 73 16.947 -7.711 -12.369 1.00 10.42 C ATOM 1073 CG1 VAL A 73 18.466 -7.745 -12.261 1.00 41.43 C ATOM 1074 CG2 VAL A 73 16.486 -8.809 -13.347 1.00 0.12 C ATOM 0 H VAL A 73 14.452 -7.600 -11.937 1.00 2.35 H new ATOM 0 HA VAL A 73 16.634 -8.895 -10.602 1.00 42.34 H new ATOM 0 HB VAL A 73 16.634 -6.736 -12.743 1.00 10.42 H new ATOM 0 HG11 VAL A 73 18.904 -7.595 -13.248 1.00 41.43 H new ATOM 0 HG12 VAL A 73 18.801 -6.953 -11.591 1.00 41.43 H new ATOM 0 HG13 VAL A 73 18.781 -8.711 -11.867 1.00 41.43 H new ATOM 0 HG21 VAL A 73 16.949 -8.647 -14.320 1.00 0.12 H new ATOM 0 HG22 VAL A 73 16.780 -9.786 -12.963 1.00 0.12 H new ATOM 0 HG23 VAL A 73 15.402 -8.772 -13.451 1.00 0.12 H new ATOM 1084 N ALA A 74 16.003 -5.720 -9.916 1.00 61.11 N ATOM 1085 CA ALA A 74 16.347 -4.640 -8.980 1.00 5.14 C ATOM 1086 C ALA A 74 16.206 -5.053 -7.513 1.00 20.33 C ATOM 1087 O ALA A 74 17.013 -4.661 -6.671 1.00 0.10 O ATOM 1088 CB ALA A 74 15.493 -3.419 -9.262 1.00 70.41 C ATOM 0 H ALA A 74 15.187 -5.537 -10.501 1.00 61.11 H new ATOM 0 HA ALA A 74 17.399 -4.404 -9.141 1.00 5.14 H new ATOM 0 HB1 ALA A 74 15.754 -2.623 -8.564 1.00 70.41 H new ATOM 0 HB2 ALA A 74 15.670 -3.079 -10.282 1.00 70.41 H new ATOM 0 HB3 ALA A 74 14.440 -3.676 -9.142 1.00 70.41 H new ATOM 1094 N ARG A 75 15.158 -5.802 -7.175 1.00 32.31 N ATOM 1095 CA ARG A 75 14.963 -6.237 -5.777 1.00 42.05 C ATOM 1096 C ARG A 75 16.004 -7.281 -5.412 1.00 70.33 C ATOM 1097 O ARG A 75 16.413 -7.370 -4.265 1.00 64.20 O ATOM 1098 CB ARG A 75 13.535 -6.750 -5.521 1.00 51.34 C ATOM 1099 CG ARG A 75 13.109 -7.948 -6.344 1.00 1.41 C ATOM 1100 CD ARG A 75 11.695 -8.390 -6.013 1.00 73.34 C ATOM 1101 NE ARG A 75 11.618 -9.040 -4.692 1.00 1.11 N ATOM 1102 CZ ARG A 75 10.514 -9.552 -4.146 1.00 61.21 C ATOM 1103 NH1 ARG A 75 9.344 -9.514 -4.750 1.00 72.21 N ATOM 1104 NH2 ARG A 75 10.593 -10.102 -2.964 1.00 13.24 N ATOM 0 H ARG A 75 14.441 -6.119 -7.827 1.00 32.31 H new ATOM 0 HA ARG A 75 15.095 -5.369 -5.132 1.00 42.05 H new ATOM 0 HB2 ARG A 75 13.445 -7.007 -4.466 1.00 51.34 H new ATOM 0 HB3 ARG A 75 12.837 -5.935 -5.711 1.00 51.34 H new ATOM 0 HG2 ARG A 75 13.173 -7.701 -7.404 1.00 1.41 H new ATOM 0 HG3 ARG A 75 13.798 -8.774 -6.166 1.00 1.41 H new ATOM 0 HD2 ARG A 75 11.031 -7.526 -6.032 1.00 73.34 H new ATOM 0 HD3 ARG A 75 11.342 -9.081 -6.779 1.00 73.34 H new ATOM 0 HE ARG A 75 12.480 -9.103 -4.151 1.00 1.11 H new ATOM 0 HH11 ARG A 75 9.259 -9.081 -5.670 1.00 72.21 H new ATOM 0 HH12 ARG A 75 8.523 -9.917 -4.298 1.00 72.21 H new ATOM 0 HH21 ARG A 75 11.488 -10.134 -2.475 1.00 13.24 H new ATOM 0 HH22 ARG A 75 9.760 -10.499 -2.530 1.00 13.24 H new