USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 326 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 942 HIS : no HE2:sc= -5.06! C(o=-4.9!,f=-9.2!) USER MOD Set 1.2: A 948 GLN : amide:sc= 0.151 K(o=-4.9,f=-6.3) USER MOD Single : A 917 THR OG1 : rot 36:sc= 0.0451 USER MOD Single : A 921 MET CE :methyl -172:sc= -0.0281 (180deg=-0.0942) USER MOD Single : A 923 HIS :FLIP no HD1:sc= -0.322 F(o=-0.86,f=-0.32) USER MOD Single : A 927 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 930 CYS SG : rot 180:sc= 0 USER MOD Single : A 933 GLN : amide:sc= -0.0933 X(o=-0.093,f=0) USER MOD Single : A 935 ASN : amide:sc= -5.49! C(o=-5.5!,f=-8.5!) USER MOD Single : A 940 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 941 LYS NZ :NH3+ 167:sc= 0.194 (180deg=-0.044) USER MOD Single : A 943 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.37) USER MOD Single : A 944 TYR OH : rot 180:sc= 0 USER MOD Single : A 945 ASN : amide:sc= -0.488 X(o=-0.49,f=-0.82) USER MOD Single : A 951 THR OG1 : rot 83:sc= 0.92 USER MOD ----------------------------------------------------------------- ATOM 114 N THR A 917 9.132 2.492 -19.291 1.00 32.50 N ATOM 115 CA THR A 917 9.563 1.565 -20.330 1.00 23.12 C ATOM 116 C THR A 917 9.964 2.309 -21.598 1.00 51.05 C ATOM 117 O THR A 917 10.886 1.901 -22.304 1.00 20.23 O ATOM 118 CB THR A 917 8.457 0.549 -20.672 1.00 13.43 C ATOM 119 OG1 THR A 917 8.118 -0.216 -19.510 1.00 24.22 O ATOM 120 CG2 THR A 917 8.904 -0.383 -21.787 1.00 60.32 C ATOM 0 HA THR A 917 10.427 1.030 -19.937 1.00 23.12 H new ATOM 0 HB THR A 917 7.580 1.100 -21.011 1.00 13.43 H new ATOM 0 HG1 THR A 917 8.164 0.357 -18.716 1.00 24.22 H new ATOM 0 HG21 THR A 917 8.106 -1.091 -22.011 1.00 60.32 H new ATOM 0 HG22 THR A 917 9.132 0.200 -22.679 1.00 60.32 H new ATOM 0 HG23 THR A 917 9.794 -0.927 -21.472 1.00 60.32 H new ATOM 128 N ALA A 918 9.265 3.403 -21.883 1.00 4.33 N ATOM 129 CA ALA A 918 9.551 4.206 -23.065 1.00 53.05 C ATOM 130 C ALA A 918 10.995 4.695 -23.062 1.00 21.31 C ATOM 131 O ALA A 918 11.633 4.784 -24.111 1.00 14.13 O ATOM 132 CB ALA A 918 8.593 5.385 -23.147 1.00 13.34 C ATOM 0 H ALA A 918 8.496 3.753 -21.311 1.00 4.33 H new ATOM 0 HA ALA A 918 9.411 3.576 -23.943 1.00 53.05 H new ATOM 0 HB1 ALA A 918 8.818 5.976 -24.035 1.00 13.34 H new ATOM 0 HB2 ALA A 918 7.568 5.018 -23.206 1.00 13.34 H new ATOM 0 HB3 ALA A 918 8.705 6.007 -22.259 1.00 13.34 H new ATOM 138 N ALA A 919 11.505 5.010 -21.876 1.00 42.40 N ATOM 139 CA ALA A 919 12.875 5.489 -21.736 1.00 70.25 C ATOM 140 C ALA A 919 13.875 4.356 -21.937 1.00 24.53 C ATOM 141 O ALA A 919 14.899 4.527 -22.600 1.00 40.12 O ATOM 142 CB ALA A 919 13.072 6.135 -20.373 1.00 61.30 C ATOM 0 H ALA A 919 10.990 4.942 -20.998 1.00 42.40 H new ATOM 0 HA ALA A 919 13.053 6.237 -22.508 1.00 70.25 H new ATOM 0 HB1 ALA A 919 14.099 6.488 -20.283 1.00 61.30 H new ATOM 0 HB2 ALA A 919 12.388 6.977 -20.267 1.00 61.30 H new ATOM 0 HB3 ALA A 919 12.870 5.403 -19.591 1.00 61.30 H new ATOM 148 N LEU A 920 13.574 3.198 -21.359 1.00 61.11 N ATOM 149 CA LEU A 920 14.448 2.035 -21.474 1.00 11.33 C ATOM 150 C LEU A 920 14.514 1.544 -22.916 1.00 62.12 C ATOM 151 O LEU A 920 15.545 1.044 -23.365 1.00 21.21 O ATOM 152 CB LEU A 920 13.955 0.910 -20.562 1.00 1.42 C ATOM 153 CG LEU A 920 13.479 1.333 -19.171 1.00 44.14 C ATOM 154 CD1 LEU A 920 13.069 0.117 -18.355 1.00 55.43 C ATOM 155 CD2 LEU A 920 14.566 2.118 -18.452 1.00 3.32 C ATOM 0 H LEU A 920 12.732 3.039 -20.806 1.00 61.11 H new ATOM 0 HA LEU A 920 15.450 2.332 -21.165 1.00 11.33 H new ATOM 0 HB2 LEU A 920 13.135 0.396 -21.064 1.00 1.42 H new ATOM 0 HB3 LEU A 920 14.761 0.186 -20.444 1.00 1.42 H new ATOM 0 HG LEU A 920 12.608 1.978 -19.286 1.00 44.14 H new ATOM 0 HD11 LEU A 920 12.733 0.437 -17.369 1.00 55.43 H new ATOM 0 HD12 LEU A 920 12.258 -0.405 -18.863 1.00 55.43 H new ATOM 0 HD13 LEU A 920 13.922 -0.554 -18.248 1.00 55.43 H new ATOM 0 HD21 LEU A 920 14.210 2.411 -17.464 1.00 3.32 H new ATOM 0 HD22 LEU A 920 15.455 1.496 -18.348 1.00 3.32 H new ATOM 0 HD23 LEU A 920 14.812 3.010 -19.028 1.00 3.32 H new ATOM 167 N MET A 921 13.408 1.692 -23.638 1.00 0.13 N ATOM 168 CA MET A 921 13.342 1.266 -25.031 1.00 1.41 C ATOM 169 C MET A 921 14.349 2.034 -25.882 1.00 71.41 C ATOM 170 O MET A 921 14.915 1.491 -26.830 1.00 63.22 O ATOM 171 CB MET A 921 11.930 1.471 -25.583 1.00 32.44 C ATOM 172 CG MET A 921 10.949 0.389 -25.158 1.00 43.32 C ATOM 173 SD MET A 921 9.635 0.131 -26.365 1.00 12.10 S ATOM 174 CE MET A 921 8.632 -1.087 -25.518 1.00 30.42 C ATOM 0 H MET A 921 12.546 2.104 -23.281 1.00 0.13 H new ATOM 0 HA MET A 921 13.590 0.206 -25.073 1.00 1.41 H new ATOM 0 HB2 MET A 921 11.556 2.440 -25.252 1.00 32.44 H new ATOM 0 HB3 MET A 921 11.975 1.502 -26.672 1.00 32.44 H new ATOM 0 HG2 MET A 921 11.488 -0.546 -25.008 1.00 43.32 H new ATOM 0 HG3 MET A 921 10.508 0.660 -24.199 1.00 43.32 H new ATOM 0 HE1 MET A 921 7.859 -1.455 -26.193 1.00 30.42 H new ATOM 0 HE2 MET A 921 9.261 -1.918 -25.200 1.00 30.42 H new ATOM 0 HE3 MET A 921 8.165 -0.630 -24.645 1.00 30.42 H new ATOM 184 N ALA A 922 14.567 3.298 -25.537 1.00 55.41 N ATOM 185 CA ALA A 922 15.506 4.139 -26.269 1.00 22.13 C ATOM 186 C ALA A 922 16.941 3.661 -26.069 1.00 15.31 C ATOM 187 O ALA A 922 17.796 3.854 -26.934 1.00 11.24 O ATOM 188 CB ALA A 922 15.366 5.590 -25.834 1.00 14.15 C ATOM 0 H ALA A 922 14.106 3.763 -24.755 1.00 55.41 H new ATOM 0 HA ALA A 922 15.270 4.066 -27.331 1.00 22.13 H new ATOM 0 HB1 ALA A 922 16.073 6.206 -26.389 1.00 14.15 H new ATOM 0 HB2 ALA A 922 14.351 5.933 -26.034 1.00 14.15 H new ATOM 0 HB3 ALA A 922 15.573 5.672 -24.767 1.00 14.15 H new ATOM 194 N HIS A 923 17.198 3.038 -24.923 1.00 74.35 N ATOM 195 CA HIS A 923 18.530 2.532 -24.610 1.00 54.44 C ATOM 196 C HIS A 923 18.947 1.449 -25.601 1.00 14.41 C ATOM 197 O HIS A 923 20.118 1.346 -25.967 1.00 22.44 O ATOM 198 CB HIS A 923 18.566 1.978 -23.186 1.00 1.32 C ATOM 199 CG HIS A 923 18.301 3.012 -22.134 1.00 62.53 C ATOM 200 ND1 HIS A 923 17.955 2.881 -20.832 1.00 52.15 N flip ATOM 201 CD2 HIS A 923 18.380 4.367 -22.374 1.00 42.13 C flip ATOM 202 CE1 HIS A 923 17.834 4.147 -20.314 1.00 64.32 C flip ATOM 203 NE2 HIS A 923 18.095 5.026 -21.265 1.00 54.14 N flip ATOM 0 H HIS A 923 16.502 2.872 -24.196 1.00 74.35 H new ATOM 0 HA HIS A 923 19.234 3.361 -24.687 1.00 54.44 H new ATOM 0 HB2 HIS A 923 17.827 1.182 -23.096 1.00 1.32 H new ATOM 0 HB3 HIS A 923 19.542 1.529 -23.004 1.00 1.32 H new ATOM 0 HD2 HIS A 923 18.635 4.819 -23.321 1.00 42.13 H new ATOM 0 HE1 HIS A 923 17.569 4.385 -19.295 1.00 64.32 H new ATOM 0 HE2 HIS A 923 18.079 6.041 -21.161 1.00 54.14 H new ATOM 211 N LEU A 924 17.981 0.645 -26.031 1.00 22.52 N ATOM 212 CA LEU A 924 18.248 -0.432 -26.979 1.00 10.32 C ATOM 213 C LEU A 924 18.394 0.114 -28.396 1.00 11.24 C ATOM 214 O LEU A 924 19.307 -0.267 -29.128 1.00 71.22 O ATOM 215 CB LEU A 924 17.124 -1.469 -26.933 1.00 3.32 C ATOM 216 CG LEU A 924 16.823 -2.072 -25.560 1.00 43.33 C ATOM 217 CD1 LEU A 924 15.441 -1.652 -25.084 1.00 42.13 C ATOM 218 CD2 LEU A 924 16.935 -3.589 -25.608 1.00 50.41 C ATOM 0 H LEU A 924 17.006 0.718 -25.739 1.00 22.52 H new ATOM 0 HA LEU A 924 19.186 -0.909 -26.695 1.00 10.32 H new ATOM 0 HB2 LEU A 924 16.213 -1.005 -27.312 1.00 3.32 H new ATOM 0 HB3 LEU A 924 17.377 -2.280 -27.616 1.00 3.32 H new ATOM 0 HG LEU A 924 17.559 -1.696 -24.849 1.00 43.33 H new ATOM 0 HD11 LEU A 924 15.244 -2.090 -24.106 1.00 42.13 H new ATOM 0 HD12 LEU A 924 15.396 -0.565 -25.010 1.00 42.13 H new ATOM 0 HD13 LEU A 924 14.691 -1.999 -25.794 1.00 42.13 H new ATOM 0 HD21 LEU A 924 16.718 -4.001 -24.623 1.00 50.41 H new ATOM 0 HD22 LEU A 924 16.222 -3.984 -26.332 1.00 50.41 H new ATOM 0 HD23 LEU A 924 17.946 -3.870 -25.904 1.00 50.41 H new ATOM 230 N PHE A 925 17.489 1.011 -28.775 1.00 23.13 N ATOM 231 CA PHE A 925 17.518 1.611 -30.103 1.00 72.15 C ATOM 232 C PHE A 925 18.838 2.336 -30.344 1.00 44.35 C ATOM 233 O PHE A 925 19.290 2.463 -31.482 1.00 73.12 O ATOM 234 CB PHE A 925 16.350 2.585 -30.272 1.00 32.04 C ATOM 235 CG PHE A 925 15.009 1.967 -29.995 1.00 61.33 C ATOM 236 CD1 PHE A 925 14.728 0.676 -30.412 1.00 74.23 C ATOM 237 CD2 PHE A 925 14.030 2.677 -29.319 1.00 62.20 C ATOM 238 CE1 PHE A 925 13.495 0.104 -30.159 1.00 70.34 C ATOM 239 CE2 PHE A 925 12.796 2.110 -29.063 1.00 21.11 C ATOM 240 CZ PHE A 925 12.528 0.822 -29.485 1.00 13.33 C ATOM 0 H PHE A 925 16.727 1.338 -28.181 1.00 23.13 H new ATOM 0 HA PHE A 925 17.424 0.811 -30.837 1.00 72.15 H new ATOM 0 HB2 PHE A 925 16.495 3.433 -29.603 1.00 32.04 H new ATOM 0 HB3 PHE A 925 16.358 2.976 -31.289 1.00 32.04 H new ATOM 0 HD1 PHE A 925 15.481 0.110 -30.941 1.00 74.23 H new ATOM 0 HD2 PHE A 925 14.233 3.685 -28.988 1.00 62.20 H new ATOM 0 HE1 PHE A 925 13.289 -0.904 -30.488 1.00 70.34 H new ATOM 0 HE2 PHE A 925 12.042 2.673 -28.534 1.00 21.11 H new ATOM 0 HZ PHE A 925 11.564 0.378 -29.288 1.00 13.33 H new ATOM 250 N GLU A 926 19.452 2.811 -29.265 1.00 32.13 N ATOM 251 CA GLU A 926 20.720 3.525 -29.359 1.00 73.21 C ATOM 252 C GLU A 926 21.804 2.631 -29.954 1.00 3.30 C ATOM 253 O GLU A 926 22.794 3.118 -30.499 1.00 41.33 O ATOM 254 CB GLU A 926 21.154 4.023 -27.979 1.00 30.20 C ATOM 255 CG GLU A 926 20.493 5.327 -27.567 1.00 11.32 C ATOM 256 CD GLU A 926 21.029 6.521 -28.333 1.00 64.20 C ATOM 257 OE1 GLU A 926 22.186 6.917 -28.079 1.00 22.04 O ATOM 258 OE2 GLU A 926 20.293 7.059 -29.186 1.00 62.52 O ATOM 0 H GLU A 926 19.092 2.714 -28.316 1.00 32.13 H new ATOM 0 HA GLU A 926 20.578 4.382 -30.018 1.00 73.21 H new ATOM 0 HB2 GLU A 926 20.924 3.258 -27.237 1.00 30.20 H new ATOM 0 HB3 GLU A 926 22.236 4.156 -27.974 1.00 30.20 H new ATOM 0 HG2 GLU A 926 19.417 5.251 -27.727 1.00 11.32 H new ATOM 0 HG3 GLU A 926 20.646 5.486 -26.500 1.00 11.32 H new ATOM 265 N MET A 927 21.610 1.321 -29.844 1.00 13.32 N ATOM 266 CA MET A 927 22.571 0.359 -30.371 1.00 55.31 C ATOM 267 C MET A 927 22.276 0.043 -31.834 1.00 42.11 C ATOM 268 O MET A 927 23.191 -0.117 -32.641 1.00 1.12 O ATOM 269 CB MET A 927 22.543 -0.927 -29.544 1.00 21.24 C ATOM 270 CG MET A 927 22.556 -0.685 -28.043 1.00 51.10 C ATOM 271 SD MET A 927 24.070 0.118 -27.482 1.00 54.41 S ATOM 272 CE MET A 927 24.395 -0.788 -25.972 1.00 75.41 C ATOM 0 H MET A 927 20.796 0.901 -29.395 1.00 13.32 H new ATOM 0 HA MET A 927 23.565 0.802 -30.306 1.00 55.31 H new ATOM 0 HB2 MET A 927 21.651 -1.497 -29.804 1.00 21.24 H new ATOM 0 HB3 MET A 927 23.403 -1.541 -29.812 1.00 21.24 H new ATOM 0 HG2 MET A 927 21.700 -0.068 -27.771 1.00 51.10 H new ATOM 0 HG3 MET A 927 22.440 -1.637 -27.524 1.00 51.10 H new ATOM 0 HE1 MET A 927 25.304 -0.406 -25.507 1.00 75.41 H new ATOM 0 HE2 MET A 927 23.557 -0.665 -25.286 1.00 75.41 H new ATOM 0 HE3 MET A 927 24.523 -1.846 -26.203 1.00 75.41 H new ATOM 282 N GLY A 928 20.992 -0.046 -32.169 1.00 45.02 N ATOM 283 CA GLY A 928 20.601 -0.343 -33.535 1.00 23.23 C ATOM 284 C GLY A 928 19.659 -1.527 -33.623 1.00 62.42 C ATOM 285 O GLY A 928 19.311 -1.973 -34.717 1.00 51.50 O ATOM 0 H GLY A 928 20.216 0.082 -31.519 1.00 45.02 H new ATOM 0 HA2 GLY A 928 20.121 0.533 -33.971 1.00 23.23 H new ATOM 0 HA3 GLY A 928 21.492 -0.546 -34.129 1.00 23.23 H new ATOM 289 N PHE A 929 19.247 -2.041 -32.469 1.00 54.20 N ATOM 290 CA PHE A 929 18.341 -3.183 -32.420 1.00 41.25 C ATOM 291 C PHE A 929 17.066 -2.900 -33.209 1.00 40.14 C ATOM 292 O PHE A 929 16.779 -3.565 -34.205 1.00 61.04 O ATOM 293 CB PHE A 929 17.992 -3.523 -30.970 1.00 1.40 C ATOM 294 CG PHE A 929 19.159 -4.040 -30.178 1.00 72.11 C ATOM 295 CD1 PHE A 929 19.843 -5.173 -30.588 1.00 4.20 C ATOM 296 CD2 PHE A 929 19.570 -3.394 -29.024 1.00 24.15 C ATOM 297 CE1 PHE A 929 20.918 -5.651 -29.862 1.00 33.52 C ATOM 298 CE2 PHE A 929 20.644 -3.868 -28.294 1.00 2.14 C ATOM 299 CZ PHE A 929 21.318 -4.999 -28.712 1.00 52.45 C ATOM 0 H PHE A 929 19.526 -1.685 -31.555 1.00 54.20 H new ATOM 0 HA PHE A 929 18.847 -4.035 -32.874 1.00 41.25 H new ATOM 0 HB2 PHE A 929 17.597 -2.632 -30.481 1.00 1.40 H new ATOM 0 HB3 PHE A 929 17.198 -4.270 -30.961 1.00 1.40 H new ATOM 0 HD1 PHE A 929 19.533 -5.689 -31.485 1.00 4.20 H new ATOM 0 HD2 PHE A 929 19.046 -2.510 -28.691 1.00 24.15 H new ATOM 0 HE1 PHE A 929 21.445 -6.534 -30.194 1.00 33.52 H new ATOM 0 HE2 PHE A 929 20.956 -3.354 -27.397 1.00 2.14 H new ATOM 0 HZ PHE A 929 22.155 -5.372 -28.141 1.00 52.45 H new ATOM 309 N CYS A 930 16.305 -1.910 -32.757 1.00 1.34 N ATOM 310 CA CYS A 930 15.059 -1.539 -33.418 1.00 43.35 C ATOM 311 C CYS A 930 14.051 -2.681 -33.358 1.00 74.14 C ATOM 312 O CYS A 930 13.485 -3.077 -34.377 1.00 55.05 O ATOM 313 CB CYS A 930 15.326 -1.154 -34.874 1.00 41.24 C ATOM 314 SG CYS A 930 14.032 -0.132 -35.617 1.00 3.13 S ATOM 0 H CYS A 930 16.529 -1.349 -31.935 1.00 1.34 H new ATOM 0 HA CYS A 930 14.639 -0.681 -32.894 1.00 43.35 H new ATOM 0 HB2 CYS A 930 16.274 -0.618 -34.929 1.00 41.24 H new ATOM 0 HB3 CYS A 930 15.439 -2.063 -35.464 1.00 41.24 H new ATOM 0 HG CYS A 930 14.349 0.143 -36.847 1.00 3.13 H new ATOM 320 N ASP A 931 13.832 -3.208 -32.159 1.00 11.45 N ATOM 321 CA ASP A 931 12.892 -4.306 -31.965 1.00 52.51 C ATOM 322 C ASP A 931 12.008 -4.056 -30.747 1.00 53.22 C ATOM 323 O ASP A 931 12.238 -4.616 -29.675 1.00 60.05 O ATOM 324 CB ASP A 931 13.644 -5.627 -31.802 1.00 44.01 C ATOM 325 CG ASP A 931 14.454 -5.988 -33.032 1.00 53.13 C ATOM 326 OD1 ASP A 931 13.922 -5.851 -34.154 1.00 74.21 O ATOM 327 OD2 ASP A 931 15.619 -6.406 -32.873 1.00 63.24 O ATOM 0 H ASP A 931 14.293 -2.892 -31.306 1.00 11.45 H new ATOM 0 HA ASP A 931 12.255 -4.366 -32.848 1.00 52.51 H new ATOM 0 HB2 ASP A 931 14.308 -5.560 -30.940 1.00 44.01 H new ATOM 0 HB3 ASP A 931 12.931 -6.424 -31.593 1.00 44.01 H new ATOM 332 N ARG A 932 10.997 -3.211 -30.920 1.00 13.44 N ATOM 333 CA ARG A 932 10.080 -2.885 -29.834 1.00 54.11 C ATOM 334 C ARG A 932 9.406 -4.144 -29.295 1.00 41.42 C ATOM 335 O ARG A 932 8.998 -4.192 -28.135 1.00 41.22 O ATOM 336 CB ARG A 932 9.019 -1.892 -30.314 1.00 45.02 C ATOM 337 CG ARG A 932 7.925 -2.529 -31.156 1.00 4.35 C ATOM 338 CD ARG A 932 8.449 -2.959 -32.517 1.00 31.53 C ATOM 339 NE ARG A 932 7.415 -2.894 -33.546 1.00 62.33 N ATOM 340 CZ ARG A 932 6.943 -1.756 -34.043 1.00 31.34 C ATOM 341 NH1 ARG A 932 7.410 -0.595 -33.606 1.00 53.41 N ATOM 342 NH2 ARG A 932 6.002 -1.779 -34.978 1.00 40.20 N ATOM 0 H ARG A 932 10.792 -2.740 -31.801 1.00 13.44 H new ATOM 0 HA ARG A 932 10.657 -2.429 -29.030 1.00 54.11 H new ATOM 0 HB2 ARG A 932 8.565 -1.411 -29.447 1.00 45.02 H new ATOM 0 HB3 ARG A 932 9.504 -1.108 -30.896 1.00 45.02 H new ATOM 0 HG2 ARG A 932 7.518 -3.394 -30.632 1.00 4.35 H new ATOM 0 HG3 ARG A 932 7.106 -1.821 -31.287 1.00 4.35 H new ATOM 0 HD2 ARG A 932 9.285 -2.320 -32.802 1.00 31.53 H new ATOM 0 HD3 ARG A 932 8.833 -3.977 -32.453 1.00 31.53 H new ATOM 0 HE ARG A 932 7.034 -3.770 -33.903 1.00 62.33 H new ATOM 0 HH11 ARG A 932 8.133 -0.574 -32.887 1.00 53.41 H new ATOM 0 HH12 ARG A 932 7.046 0.278 -33.989 1.00 53.41 H new ATOM 0 HH21 ARG A 932 5.640 -2.671 -35.316 1.00 40.20 H new ATOM 0 HH22 ARG A 932 5.640 -0.905 -35.359 1.00 40.20 H new ATOM 356 N GLN A 933 9.293 -5.159 -30.146 1.00 4.42 N ATOM 357 CA GLN A 933 8.668 -6.417 -29.755 1.00 2.52 C ATOM 358 C GLN A 933 9.562 -7.193 -28.793 1.00 12.53 C ATOM 359 O GLN A 933 9.101 -7.690 -27.764 1.00 55.25 O ATOM 360 CB GLN A 933 8.369 -7.267 -30.990 1.00 72.32 C ATOM 361 CG GLN A 933 7.293 -6.678 -31.888 1.00 62.25 C ATOM 362 CD GLN A 933 6.126 -7.623 -32.098 1.00 42.22 C ATOM 363 OE1 GLN A 933 4.969 -7.254 -31.893 1.00 64.01 O ATOM 364 NE2 GLN A 933 6.424 -8.850 -32.509 1.00 51.13 N ATOM 0 H GLN A 933 9.626 -5.135 -31.110 1.00 4.42 H new ATOM 0 HA GLN A 933 7.732 -6.186 -29.246 1.00 2.52 H new ATOM 0 HB2 GLN A 933 9.285 -7.389 -31.567 1.00 72.32 H new ATOM 0 HB3 GLN A 933 8.059 -8.262 -30.670 1.00 72.32 H new ATOM 0 HG2 GLN A 933 6.929 -5.749 -31.450 1.00 62.25 H new ATOM 0 HG3 GLN A 933 7.730 -6.426 -32.854 1.00 62.25 H new ATOM 0 HE21 GLN A 933 7.397 -9.113 -32.666 1.00 51.13 H new ATOM 0 HE22 GLN A 933 5.680 -9.530 -32.667 1.00 51.13 H new ATOM 373 N LEU A 934 10.842 -7.293 -29.133 1.00 11.01 N ATOM 374 CA LEU A 934 11.801 -8.009 -28.299 1.00 62.23 C ATOM 375 C LEU A 934 11.966 -7.323 -26.947 1.00 31.52 C ATOM 376 O LEU A 934 11.837 -7.956 -25.900 1.00 14.25 O ATOM 377 CB LEU A 934 13.155 -8.099 -29.007 1.00 15.24 C ATOM 378 CG LEU A 934 13.439 -9.405 -29.749 1.00 31.24 C ATOM 379 CD1 LEU A 934 12.263 -9.782 -30.636 1.00 50.34 C ATOM 380 CD2 LEU A 934 14.713 -9.285 -30.571 1.00 45.22 C ATOM 0 H LEU A 934 11.240 -6.888 -29.980 1.00 11.01 H new ATOM 0 HA LEU A 934 11.418 -9.016 -28.130 1.00 62.23 H new ATOM 0 HB2 LEU A 934 13.225 -7.277 -29.719 1.00 15.24 H new ATOM 0 HB3 LEU A 934 13.940 -7.947 -28.267 1.00 15.24 H new ATOM 0 HG LEU A 934 13.579 -10.196 -29.012 1.00 31.24 H new ATOM 0 HD11 LEU A 934 12.484 -10.714 -31.156 1.00 50.34 H new ATOM 0 HD12 LEU A 934 11.371 -9.911 -30.023 1.00 50.34 H new ATOM 0 HD13 LEU A 934 12.090 -8.991 -31.366 1.00 50.34 H new ATOM 0 HD21 LEU A 934 14.899 -10.224 -31.092 1.00 45.22 H new ATOM 0 HD22 LEU A 934 14.602 -8.482 -31.299 1.00 45.22 H new ATOM 0 HD23 LEU A 934 15.552 -9.063 -29.911 1.00 45.22 H new ATOM 392 N ASN A 935 12.250 -6.025 -26.978 1.00 30.51 N ATOM 393 CA ASN A 935 12.431 -5.253 -25.754 1.00 74.11 C ATOM 394 C ASN A 935 11.231 -5.416 -24.826 1.00 30.54 C ATOM 395 O ASN A 935 11.360 -5.324 -23.604 1.00 62.31 O ATOM 396 CB ASN A 935 12.635 -3.773 -26.086 1.00 22.54 C ATOM 397 CG ASN A 935 13.517 -3.570 -27.303 1.00 31.34 C ATOM 398 OD1 ASN A 935 14.487 -4.299 -27.509 1.00 22.43 O ATOM 399 ND2 ASN A 935 13.182 -2.575 -28.116 1.00 24.22 N ATOM 0 H ASN A 935 12.360 -5.486 -27.837 1.00 30.51 H new ATOM 0 HA ASN A 935 13.317 -5.630 -25.243 1.00 74.11 H new ATOM 0 HB2 ASN A 935 11.666 -3.306 -26.261 1.00 22.54 H new ATOM 0 HB3 ASN A 935 13.082 -3.269 -25.229 1.00 22.54 H new ATOM 0 HD21 ASN A 935 13.738 -2.390 -28.951 1.00 24.22 H new ATOM 0 HD22 ASN A 935 12.369 -1.996 -27.905 1.00 24.22 H new ATOM 406 N LEU A 936 10.065 -5.660 -25.413 1.00 35.13 N ATOM 407 CA LEU A 936 8.841 -5.837 -24.639 1.00 33.52 C ATOM 408 C LEU A 936 8.821 -7.201 -23.956 1.00 72.54 C ATOM 409 O LEU A 936 8.599 -7.300 -22.749 1.00 41.44 O ATOM 410 CB LEU A 936 7.616 -5.689 -25.543 1.00 71.01 C ATOM 411 CG LEU A 936 6.326 -5.238 -24.857 1.00 72.42 C ATOM 412 CD1 LEU A 936 5.869 -6.277 -23.844 1.00 42.50 C ATOM 413 CD2 LEU A 936 6.522 -3.887 -24.187 1.00 3.53 C ATOM 0 H LEU A 936 9.941 -5.740 -26.422 1.00 35.13 H new ATOM 0 HA LEU A 936 8.812 -5.065 -23.870 1.00 33.52 H new ATOM 0 HB2 LEU A 936 7.855 -4.974 -26.330 1.00 71.01 H new ATOM 0 HB3 LEU A 936 7.430 -6.647 -26.029 1.00 71.01 H new ATOM 0 HG LEU A 936 5.550 -5.135 -25.616 1.00 72.42 H new ATOM 0 HD11 LEU A 936 4.950 -5.939 -23.366 1.00 42.50 H new ATOM 0 HD12 LEU A 936 5.687 -7.224 -24.351 1.00 42.50 H new ATOM 0 HD13 LEU A 936 6.642 -6.413 -23.088 1.00 42.50 H new ATOM 0 HD21 LEU A 936 5.594 -3.582 -23.704 1.00 3.53 H new ATOM 0 HD22 LEU A 936 7.312 -3.963 -23.440 1.00 3.53 H new ATOM 0 HD23 LEU A 936 6.801 -3.146 -24.936 1.00 3.53 H new ATOM 425 N ARG A 937 9.056 -8.251 -24.737 1.00 20.22 N ATOM 426 CA ARG A 937 9.066 -9.610 -24.207 1.00 41.35 C ATOM 427 C ARG A 937 10.251 -9.819 -23.269 1.00 13.55 C ATOM 428 O ARG A 937 10.187 -10.628 -22.342 1.00 1.41 O ATOM 429 CB ARG A 937 9.123 -10.625 -25.351 1.00 14.34 C ATOM 430 CG ARG A 937 10.530 -10.893 -25.858 1.00 40.32 C ATOM 431 CD ARG A 937 11.138 -12.118 -25.194 1.00 32.20 C ATOM 432 NE ARG A 937 10.343 -13.320 -25.431 1.00 70.23 N ATOM 433 CZ ARG A 937 10.677 -14.524 -24.979 1.00 4.40 C ATOM 434 NH1 ARG A 937 11.785 -14.684 -24.269 1.00 25.22 N ATOM 435 NH2 ARG A 937 9.902 -15.569 -25.236 1.00 64.43 N ATOM 0 H ARG A 937 9.242 -8.187 -25.738 1.00 20.22 H new ATOM 0 HA ARG A 937 8.146 -9.760 -23.642 1.00 41.35 H new ATOM 0 HB2 ARG A 937 8.682 -11.564 -25.015 1.00 14.34 H new ATOM 0 HB3 ARG A 937 8.511 -10.263 -26.177 1.00 14.34 H new ATOM 0 HG2 ARG A 937 10.507 -11.037 -26.938 1.00 40.32 H new ATOM 0 HG3 ARG A 937 11.159 -10.024 -25.666 1.00 40.32 H new ATOM 0 HD2 ARG A 937 12.149 -12.271 -25.572 1.00 32.20 H new ATOM 0 HD3 ARG A 937 11.222 -11.945 -24.121 1.00 32.20 H new ATOM 0 HE ARG A 937 9.484 -13.230 -25.973 1.00 70.23 H new ATOM 0 HH11 ARG A 937 12.383 -13.882 -24.069 1.00 25.22 H new ATOM 0 HH12 ARG A 937 12.040 -15.609 -23.923 1.00 25.22 H new ATOM 0 HH21 ARG A 937 9.048 -15.449 -25.781 1.00 64.43 H new ATOM 0 HH22 ARG A 937 10.160 -16.493 -24.888 1.00 64.43 H new ATOM 449 N LEU A 938 11.330 -9.085 -23.515 1.00 3.35 N ATOM 450 CA LEU A 938 12.530 -9.189 -22.692 1.00 23.35 C ATOM 451 C LEU A 938 12.322 -8.518 -21.338 1.00 23.13 C ATOM 452 O LEU A 938 12.624 -9.097 -20.293 1.00 0.30 O ATOM 453 CB LEU A 938 13.722 -8.555 -23.410 1.00 44.03 C ATOM 454 CG LEU A 938 14.715 -9.526 -24.050 1.00 30.51 C ATOM 455 CD1 LEU A 938 15.267 -10.488 -23.009 1.00 32.11 C ATOM 456 CD2 LEU A 938 14.055 -10.291 -25.188 1.00 51.11 C ATOM 0 H LEU A 938 11.399 -8.411 -24.278 1.00 3.35 H new ATOM 0 HA LEU A 938 12.735 -10.246 -22.525 1.00 23.35 H new ATOM 0 HB2 LEU A 938 13.342 -7.892 -24.187 1.00 44.03 H new ATOM 0 HB3 LEU A 938 14.262 -7.933 -22.696 1.00 44.03 H new ATOM 0 HG LEU A 938 15.545 -8.950 -24.459 1.00 30.51 H new ATOM 0 HD11 LEU A 938 15.972 -11.171 -23.483 1.00 32.11 H new ATOM 0 HD12 LEU A 938 15.777 -9.925 -22.227 1.00 32.11 H new ATOM 0 HD13 LEU A 938 14.448 -11.058 -22.570 1.00 32.11 H new ATOM 0 HD21 LEU A 938 14.776 -10.977 -25.632 1.00 51.11 H new ATOM 0 HD22 LEU A 938 13.206 -10.856 -24.803 1.00 51.11 H new ATOM 0 HD23 LEU A 938 13.709 -9.588 -25.946 1.00 51.11 H new ATOM 468 N LEU A 939 11.803 -7.296 -21.363 1.00 3.41 N ATOM 469 CA LEU A 939 11.552 -6.546 -20.137 1.00 42.41 C ATOM 470 C LEU A 939 10.761 -7.384 -19.138 1.00 53.24 C ATOM 471 O LEU A 939 11.143 -7.508 -17.975 1.00 22.33 O ATOM 472 CB LEU A 939 10.793 -5.255 -20.452 1.00 23.22 C ATOM 473 CG LEU A 939 11.653 -4.030 -20.763 1.00 1.44 C ATOM 474 CD1 LEU A 939 10.805 -2.923 -21.370 1.00 2.34 C ATOM 475 CD2 LEU A 939 12.355 -3.538 -19.505 1.00 51.31 C ATOM 0 H LEU A 939 11.548 -6.803 -22.219 1.00 3.41 H new ATOM 0 HA LEU A 939 12.514 -6.295 -19.690 1.00 42.41 H new ATOM 0 HB2 LEU A 939 10.139 -5.440 -21.304 1.00 23.22 H new ATOM 0 HB3 LEU A 939 10.152 -5.018 -19.603 1.00 23.22 H new ATOM 0 HG LEU A 939 12.413 -4.318 -21.490 1.00 1.44 H new ATOM 0 HD11 LEU A 939 11.434 -2.059 -21.585 1.00 2.34 H new ATOM 0 HD12 LEU A 939 10.349 -3.279 -22.294 1.00 2.34 H new ATOM 0 HD13 LEU A 939 10.023 -2.637 -20.667 1.00 2.34 H new ATOM 0 HD21 LEU A 939 12.963 -2.666 -19.745 1.00 51.31 H new ATOM 0 HD22 LEU A 939 11.611 -3.267 -18.756 1.00 51.31 H new ATOM 0 HD23 LEU A 939 12.994 -4.329 -19.112 1.00 51.31 H new ATOM 487 N LYS A 940 9.656 -7.959 -19.601 1.00 70.10 N ATOM 488 CA LYS A 940 8.811 -8.789 -18.751 1.00 23.25 C ATOM 489 C LYS A 940 9.552 -10.047 -18.310 1.00 24.44 C ATOM 490 O LYS A 940 9.227 -10.645 -17.283 1.00 41.33 O ATOM 491 CB LYS A 940 7.528 -9.173 -19.491 1.00 30.44 C ATOM 492 CG LYS A 940 6.725 -7.979 -19.977 1.00 4.04 C ATOM 493 CD LYS A 940 5.509 -7.730 -19.100 1.00 25.10 C ATOM 494 CE LYS A 940 5.137 -6.256 -19.069 1.00 2.32 C ATOM 495 NZ LYS A 940 4.183 -5.901 -20.156 1.00 64.41 N ATOM 0 H LYS A 940 9.325 -7.865 -20.561 1.00 70.10 H new ATOM 0 HA LYS A 940 8.552 -8.211 -17.864 1.00 23.25 H new ATOM 0 HB2 LYS A 940 7.785 -9.799 -20.345 1.00 30.44 H new ATOM 0 HB3 LYS A 940 6.904 -9.775 -18.831 1.00 30.44 H new ATOM 0 HG2 LYS A 940 7.358 -7.092 -19.983 1.00 4.04 H new ATOM 0 HG3 LYS A 940 6.405 -8.149 -21.005 1.00 4.04 H new ATOM 0 HD2 LYS A 940 4.665 -8.311 -19.472 1.00 25.10 H new ATOM 0 HD3 LYS A 940 5.713 -8.076 -18.087 1.00 25.10 H new ATOM 0 HE2 LYS A 940 4.693 -6.014 -18.103 1.00 2.32 H new ATOM 0 HE3 LYS A 940 6.039 -5.652 -19.166 1.00 2.32 H new ATOM 0 HZ1 LYS A 940 3.955 -4.888 -20.100 1.00 64.41 H new ATOM 0 HZ2 LYS A 940 4.616 -6.108 -21.079 1.00 64.41 H new ATOM 0 HZ3 LYS A 940 3.312 -6.459 -20.049 1.00 64.41 H new ATOM 509 N LYS A 941 10.551 -10.444 -19.091 1.00 22.53 N ATOM 510 CA LYS A 941 11.341 -11.630 -18.780 1.00 42.01 C ATOM 511 C LYS A 941 12.311 -11.353 -17.636 1.00 32.25 C ATOM 512 O LYS A 941 12.504 -12.193 -16.756 1.00 0.24 O ATOM 513 CB LYS A 941 12.115 -12.091 -20.017 1.00 74.35 C ATOM 514 CG LYS A 941 12.802 -13.434 -19.840 1.00 33.13 C ATOM 515 CD LYS A 941 14.287 -13.268 -19.563 1.00 34.51 C ATOM 516 CE LYS A 941 15.040 -14.575 -19.762 1.00 12.20 C ATOM 517 NZ LYS A 941 14.940 -15.064 -21.165 1.00 23.11 N ATOM 0 H LYS A 941 10.833 -9.962 -19.944 1.00 22.53 H new ATOM 0 HA LYS A 941 10.657 -12.420 -18.471 1.00 42.01 H new ATOM 0 HB2 LYS A 941 11.429 -12.152 -20.862 1.00 74.35 H new ATOM 0 HB3 LYS A 941 12.864 -11.340 -20.267 1.00 74.35 H new ATOM 0 HG2 LYS A 941 12.336 -13.977 -19.018 1.00 33.13 H new ATOM 0 HG3 LYS A 941 12.663 -14.036 -20.738 1.00 33.13 H new ATOM 0 HD2 LYS A 941 14.699 -12.505 -20.224 1.00 34.51 H new ATOM 0 HD3 LYS A 941 14.431 -12.916 -18.542 1.00 34.51 H new ATOM 0 HE2 LYS A 941 16.089 -14.434 -19.501 1.00 12.20 H new ATOM 0 HE3 LYS A 941 14.642 -15.330 -19.085 1.00 12.20 H new ATOM 0 HZ1 LYS A 941 15.634 -15.823 -21.318 1.00 23.11 H new ATOM 0 HZ2 LYS A 941 13.982 -15.430 -21.338 1.00 23.11 H new ATOM 0 HZ3 LYS A 941 15.134 -14.280 -21.820 1.00 23.11 H new ATOM 531 N HIS A 942 12.917 -10.170 -17.653 1.00 22.45 N ATOM 532 CA HIS A 942 13.865 -9.782 -16.614 1.00 64.53 C ATOM 533 C HIS A 942 13.185 -8.929 -15.548 1.00 72.13 C ATOM 534 O HIS A 942 13.825 -8.478 -14.599 1.00 55.34 O ATOM 535 CB HIS A 942 15.038 -9.016 -17.226 1.00 3.41 C ATOM 536 CG HIS A 942 15.742 -9.766 -18.315 1.00 11.14 C ATOM 537 ND1 HIS A 942 16.584 -10.831 -18.072 1.00 53.31 N ATOM 538 CD2 HIS A 942 15.724 -9.601 -19.658 1.00 12.00 C ATOM 539 CE1 HIS A 942 17.054 -11.287 -19.219 1.00 24.20 C ATOM 540 NE2 HIS A 942 16.547 -10.558 -20.197 1.00 24.40 N ATOM 0 H HIS A 942 12.769 -9.464 -18.374 1.00 22.45 H new ATOM 0 HA HIS A 942 14.240 -10.690 -16.141 1.00 64.53 H new ATOM 0 HB2 HIS A 942 14.674 -8.069 -17.625 1.00 3.41 H new ATOM 0 HB3 HIS A 942 15.754 -8.776 -16.440 1.00 3.41 H new ATOM 0 HD1 HIS A 942 16.809 -11.207 -17.151 1.00 53.31 H new ATOM 0 HD2 HIS A 942 15.166 -8.855 -20.204 1.00 12.00 H new ATOM 0 HE1 HIS A 942 17.737 -12.115 -19.337 1.00 24.20 H new ATOM 548 N ASN A 943 11.884 -8.712 -15.713 1.00 10.22 N ATOM 549 CA ASN A 943 11.117 -7.911 -14.765 1.00 60.32 C ATOM 550 C ASN A 943 11.576 -6.456 -14.785 1.00 60.45 C ATOM 551 O ASN A 943 12.081 -5.940 -13.788 1.00 54.23 O ATOM 552 CB ASN A 943 11.257 -8.482 -13.353 1.00 20.33 C ATOM 553 CG ASN A 943 11.270 -9.999 -13.341 1.00 3.33 C ATOM 554 OD1 ASN A 943 10.439 -10.643 -13.981 1.00 2.21 O ATOM 555 ND2 ASN A 943 12.217 -10.576 -12.610 1.00 32.11 N ATOM 0 H ASN A 943 11.339 -9.079 -16.493 1.00 10.22 H new ATOM 0 HA ASN A 943 10.069 -7.947 -15.062 1.00 60.32 H new ATOM 0 HB2 ASN A 943 12.178 -8.110 -12.903 1.00 20.33 H new ATOM 0 HB3 ASN A 943 10.433 -8.124 -12.736 1.00 20.33 H new ATOM 0 HD21 ASN A 943 12.276 -11.593 -12.563 1.00 32.11 H new ATOM 0 HD22 ASN A 943 12.885 -10.002 -12.096 1.00 32.11 H new ATOM 562 N TYR A 944 11.397 -5.801 -15.927 1.00 70.41 N ATOM 563 CA TYR A 944 11.794 -4.407 -16.078 1.00 41.44 C ATOM 564 C TYR A 944 13.289 -4.235 -15.824 1.00 73.14 C ATOM 565 O TYR A 944 13.703 -3.375 -15.048 1.00 71.15 O ATOM 566 CB TYR A 944 10.998 -3.521 -15.119 1.00 55.30 C ATOM 567 CG TYR A 944 9.642 -3.116 -15.653 1.00 32.44 C ATOM 568 CD1 TYR A 944 8.772 -4.062 -16.182 1.00 51.22 C ATOM 569 CD2 TYR A 944 9.231 -1.789 -15.628 1.00 60.53 C ATOM 570 CE1 TYR A 944 7.533 -3.697 -16.672 1.00 35.24 C ATOM 571 CE2 TYR A 944 7.993 -1.416 -16.114 1.00 40.11 C ATOM 572 CZ TYR A 944 7.147 -2.373 -16.635 1.00 25.22 C ATOM 573 OH TYR A 944 5.914 -2.005 -17.121 1.00 50.10 O ATOM 0 H TYR A 944 10.980 -6.214 -16.761 1.00 70.41 H new ATOM 0 HA TYR A 944 11.581 -4.105 -17.103 1.00 41.44 H new ATOM 0 HB2 TYR A 944 10.864 -4.050 -14.175 1.00 55.30 H new ATOM 0 HB3 TYR A 944 11.577 -2.623 -14.902 1.00 55.30 H new ATOM 0 HD1 TYR A 944 9.070 -5.100 -16.210 1.00 51.22 H new ATOM 0 HD2 TYR A 944 9.891 -1.036 -15.222 1.00 60.53 H new ATOM 0 HE1 TYR A 944 6.870 -4.444 -17.082 1.00 35.24 H new ATOM 0 HE2 TYR A 944 7.689 -0.380 -16.086 1.00 40.11 H new ATOM 0 HH TYR A 944 5.798 -1.037 -17.020 1.00 50.10 H new ATOM 583 N ASN A 945 14.093 -5.061 -16.486 1.00 1.13 N ATOM 584 CA ASN A 945 15.542 -5.002 -16.333 1.00 3.22 C ATOM 585 C ASN A 945 16.220 -4.723 -17.671 1.00 54.30 C ATOM 586 O ASN A 945 16.697 -5.640 -18.340 1.00 13.12 O ATOM 587 CB ASN A 945 16.068 -6.313 -15.746 1.00 60.52 C ATOM 588 CG ASN A 945 17.197 -6.093 -14.757 1.00 75.43 C ATOM 589 OD1 ASN A 945 17.983 -5.156 -14.894 1.00 71.14 O ATOM 590 ND2 ASN A 945 17.281 -6.959 -13.754 1.00 20.10 N ATOM 0 H ASN A 945 13.766 -5.778 -17.133 1.00 1.13 H new ATOM 0 HA ASN A 945 15.777 -4.186 -15.650 1.00 3.22 H new ATOM 0 HB2 ASN A 945 15.252 -6.839 -15.250 1.00 60.52 H new ATOM 0 HB3 ASN A 945 16.417 -6.956 -16.554 1.00 60.52 H new ATOM 0 HD21 ASN A 945 18.020 -6.862 -13.057 1.00 20.10 H new ATOM 0 HD22 ASN A 945 16.607 -7.721 -13.680 1.00 20.10 H new ATOM 597 N ILE A 946 16.258 -3.451 -18.055 1.00 21.15 N ATOM 598 CA ILE A 946 16.878 -3.051 -19.312 1.00 23.25 C ATOM 599 C ILE A 946 18.299 -3.594 -19.420 1.00 42.25 C ATOM 600 O ILE A 946 18.738 -4.004 -20.496 1.00 3.22 O ATOM 601 CB ILE A 946 16.913 -1.519 -19.460 1.00 3.45 C ATOM 602 CG1 ILE A 946 17.595 -1.127 -20.772 1.00 1.40 C ATOM 603 CG2 ILE A 946 17.630 -0.888 -18.275 1.00 24.40 C ATOM 604 CD1 ILE A 946 16.888 -1.654 -22.001 1.00 43.21 C ATOM 0 H ILE A 946 15.867 -2.680 -17.514 1.00 21.15 H new ATOM 0 HA ILE A 946 16.269 -3.471 -20.113 1.00 23.25 H new ATOM 0 HB ILE A 946 15.888 -1.147 -19.480 1.00 3.45 H new ATOM 0 HG12 ILE A 946 17.651 -0.040 -20.833 1.00 1.40 H new ATOM 0 HG13 ILE A 946 18.620 -1.499 -20.765 1.00 1.40 H new ATOM 0 HG21 ILE A 946 17.646 0.195 -18.394 1.00 24.40 H new ATOM 0 HG22 ILE A 946 17.106 -1.144 -17.354 1.00 24.40 H new ATOM 0 HG23 ILE A 946 18.652 -1.263 -18.226 1.00 24.40 H new ATOM 0 HD11 ILE A 946 17.427 -1.338 -22.894 1.00 43.21 H new ATOM 0 HD12 ILE A 946 16.856 -2.743 -21.963 1.00 43.21 H new ATOM 0 HD13 ILE A 946 15.872 -1.262 -22.032 1.00 43.21 H new ATOM 616 N LEU A 947 19.013 -3.595 -18.300 1.00 64.24 N ATOM 617 CA LEU A 947 20.386 -4.090 -18.268 1.00 55.35 C ATOM 618 C LEU A 947 20.469 -5.502 -18.839 1.00 51.35 C ATOM 619 O LEU A 947 21.281 -5.777 -19.722 1.00 51.23 O ATOM 620 CB LEU A 947 20.921 -4.074 -16.836 1.00 31.44 C ATOM 621 CG LEU A 947 20.794 -2.748 -16.086 1.00 13.22 C ATOM 622 CD1 LEU A 947 21.362 -2.872 -14.681 1.00 25.22 C ATOM 623 CD2 LEU A 947 21.494 -1.634 -16.850 1.00 43.11 C ATOM 0 H LEU A 947 18.665 -3.259 -17.402 1.00 64.24 H new ATOM 0 HA LEU A 947 20.998 -3.432 -18.885 1.00 55.35 H new ATOM 0 HB2 LEU A 947 20.399 -4.842 -16.266 1.00 31.44 H new ATOM 0 HB3 LEU A 947 21.974 -4.355 -16.860 1.00 31.44 H new ATOM 0 HG LEU A 947 19.736 -2.498 -16.007 1.00 13.22 H new ATOM 0 HD11 LEU A 947 21.263 -1.918 -14.163 1.00 25.22 H new ATOM 0 HD12 LEU A 947 20.816 -3.641 -14.134 1.00 25.22 H new ATOM 0 HD13 LEU A 947 22.415 -3.146 -14.737 1.00 25.22 H new ATOM 0 HD21 LEU A 947 21.393 -0.698 -16.301 1.00 43.11 H new ATOM 0 HD22 LEU A 947 22.551 -1.877 -16.961 1.00 43.11 H new ATOM 0 HD23 LEU A 947 21.040 -1.528 -17.835 1.00 43.11 H new ATOM 635 N GLN A 948 19.622 -6.391 -18.331 1.00 24.13 N ATOM 636 CA GLN A 948 19.600 -7.774 -18.792 1.00 20.33 C ATOM 637 C GLN A 948 18.978 -7.875 -20.181 1.00 21.14 C ATOM 638 O GLN A 948 19.350 -8.736 -20.978 1.00 24.12 O ATOM 639 CB GLN A 948 18.823 -8.650 -17.807 1.00 52.31 C ATOM 640 CG GLN A 948 19.384 -8.622 -16.395 1.00 21.54 C ATOM 641 CD GLN A 948 19.322 -9.977 -15.716 1.00 10.53 C ATOM 642 OE1 GLN A 948 18.261 -10.597 -15.638 1.00 0.31 O ATOM 643 NE2 GLN A 948 20.462 -10.443 -15.220 1.00 31.33 N ATOM 0 H GLN A 948 18.942 -6.179 -17.601 1.00 24.13 H new ATOM 0 HA GLN A 948 20.629 -8.128 -18.848 1.00 20.33 H new ATOM 0 HB2 GLN A 948 17.784 -8.321 -17.783 1.00 52.31 H new ATOM 0 HB3 GLN A 948 18.824 -9.678 -18.169 1.00 52.31 H new ATOM 0 HG2 GLN A 948 20.419 -8.282 -16.426 1.00 21.54 H new ATOM 0 HG3 GLN A 948 18.828 -7.896 -15.801 1.00 21.54 H new ATOM 0 HE21 GLN A 948 21.318 -9.895 -15.307 1.00 31.33 H new ATOM 0 HE22 GLN A 948 20.482 -11.349 -14.752 1.00 31.33 H new ATOM 652 N VAL A 949 18.028 -6.990 -20.464 1.00 12.22 N ATOM 653 CA VAL A 949 17.354 -6.979 -21.757 1.00 3.41 C ATOM 654 C VAL A 949 18.343 -6.728 -22.890 1.00 4.34 C ATOM 655 O VAL A 949 18.467 -7.535 -23.810 1.00 63.44 O ATOM 656 CB VAL A 949 16.251 -5.905 -21.806 1.00 4.41 C ATOM 657 CG1 VAL A 949 15.630 -5.839 -23.193 1.00 25.50 C ATOM 658 CG2 VAL A 949 15.191 -6.182 -20.751 1.00 2.43 C ATOM 0 H VAL A 949 17.707 -6.271 -19.815 1.00 12.22 H new ATOM 0 HA VAL A 949 16.900 -7.962 -21.886 1.00 3.41 H new ATOM 0 HB VAL A 949 16.702 -4.936 -21.590 1.00 4.41 H new ATOM 0 HG11 VAL A 949 14.853 -5.075 -23.208 1.00 25.50 H new ATOM 0 HG12 VAL A 949 16.399 -5.589 -23.924 1.00 25.50 H new ATOM 0 HG13 VAL A 949 15.193 -6.806 -23.442 1.00 25.50 H new ATOM 0 HG21 VAL A 949 14.420 -5.414 -20.800 1.00 2.43 H new ATOM 0 HG22 VAL A 949 14.742 -7.159 -20.933 1.00 2.43 H new ATOM 0 HG23 VAL A 949 15.650 -6.173 -19.763 1.00 2.43 H new ATOM 668 N VAL A 950 19.047 -5.602 -22.815 1.00 71.32 N ATOM 669 CA VAL A 950 20.027 -5.245 -23.833 1.00 43.15 C ATOM 670 C VAL A 950 21.075 -6.340 -23.996 1.00 22.21 C ATOM 671 O VAL A 950 21.431 -6.714 -25.114 1.00 4.00 O ATOM 672 CB VAL A 950 20.734 -3.920 -23.491 1.00 42.14 C ATOM 673 CG1 VAL A 950 21.789 -3.592 -24.537 1.00 52.42 C ATOM 674 CG2 VAL A 950 19.721 -2.791 -23.371 1.00 61.54 C ATOM 0 H VAL A 950 18.956 -4.922 -22.060 1.00 71.32 H new ATOM 0 HA VAL A 950 19.481 -5.126 -24.769 1.00 43.15 H new ATOM 0 HB VAL A 950 21.234 -4.033 -22.529 1.00 42.14 H new ATOM 0 HG11 VAL A 950 22.278 -2.653 -24.279 1.00 52.42 H new ATOM 0 HG12 VAL A 950 22.531 -4.390 -24.569 1.00 52.42 H new ATOM 0 HG13 VAL A 950 21.315 -3.498 -25.514 1.00 52.42 H new ATOM 0 HG21 VAL A 950 20.238 -1.862 -23.129 1.00 61.54 H new ATOM 0 HG22 VAL A 950 19.191 -2.676 -24.317 1.00 61.54 H new ATOM 0 HG23 VAL A 950 19.007 -3.025 -22.581 1.00 61.54 H new ATOM 684 N THR A 951 21.567 -6.853 -22.872 1.00 53.10 N ATOM 685 CA THR A 951 22.575 -7.905 -22.889 1.00 33.32 C ATOM 686 C THR A 951 22.074 -9.134 -23.639 1.00 61.14 C ATOM 687 O THR A 951 22.855 -9.852 -24.262 1.00 62.43 O ATOM 688 CB THR A 951 22.979 -8.319 -21.461 1.00 74.21 C ATOM 689 OG1 THR A 951 23.523 -7.195 -20.761 1.00 21.12 O ATOM 690 CG2 THR A 951 24.000 -9.446 -21.493 1.00 34.41 C ATOM 0 H THR A 951 21.283 -6.556 -21.938 1.00 53.10 H new ATOM 0 HA THR A 951 23.447 -7.499 -23.402 1.00 33.32 H new ATOM 0 HB THR A 951 22.088 -8.672 -20.943 1.00 74.21 H new ATOM 0 HG1 THR A 951 22.793 -6.654 -20.393 1.00 21.12 H new ATOM 0 HG21 THR A 951 24.270 -9.721 -20.474 1.00 34.41 H new ATOM 0 HG22 THR A 951 23.572 -10.310 -22.001 1.00 34.41 H new ATOM 0 HG23 THR A 951 24.890 -9.115 -22.027 1.00 34.41 H new ATOM 698 N GLU A 952 20.767 -9.369 -23.576 1.00 42.00 N ATOM 699 CA GLU A 952 20.164 -10.512 -24.251 1.00 34.13 C ATOM 700 C GLU A 952 20.152 -10.308 -25.763 1.00 11.52 C ATOM 701 O GLU A 952 20.714 -11.107 -26.513 1.00 55.33 O ATOM 702 CB GLU A 952 18.737 -10.737 -23.744 1.00 43.43 C ATOM 703 CG GLU A 952 18.190 -12.119 -24.059 1.00 41.32 C ATOM 704 CD GLU A 952 17.433 -12.726 -22.894 1.00 2.10 C ATOM 705 OE1 GLU A 952 17.869 -12.536 -21.739 1.00 53.03 O ATOM 706 OE2 GLU A 952 16.405 -13.391 -23.138 1.00 34.24 O ATOM 0 H GLU A 952 20.106 -8.784 -23.065 1.00 42.00 H new ATOM 0 HA GLU A 952 20.765 -11.393 -24.026 1.00 34.13 H new ATOM 0 HB2 GLU A 952 18.716 -10.584 -22.665 1.00 43.43 H new ATOM 0 HB3 GLU A 952 18.081 -9.987 -24.185 1.00 43.43 H new ATOM 0 HG2 GLU A 952 17.529 -12.056 -24.923 1.00 41.32 H new ATOM 0 HG3 GLU A 952 19.014 -12.777 -24.335 1.00 41.32 H new ATOM 713 N LEU A 953 19.508 -9.232 -26.203 1.00 70.43 N ATOM 714 CA LEU A 953 19.422 -8.922 -27.626 1.00 53.40 C ATOM 715 C LEU A 953 20.807 -8.907 -28.265 1.00 54.31 C ATOM 716 O LEU A 953 20.970 -9.280 -29.428 1.00 32.15 O ATOM 717 CB LEU A 953 18.738 -7.569 -27.832 1.00 51.21 C ATOM 718 CG LEU A 953 17.211 -7.593 -27.908 1.00 71.33 C ATOM 719 CD1 LEU A 953 16.631 -8.381 -26.744 1.00 11.55 C ATOM 720 CD2 LEU A 953 16.655 -6.177 -27.927 1.00 1.14 C ATOM 0 H LEU A 953 19.038 -8.561 -25.596 1.00 70.43 H new ATOM 0 HA LEU A 953 18.829 -9.700 -28.107 1.00 53.40 H new ATOM 0 HB2 LEU A 953 19.031 -6.909 -27.016 1.00 51.21 H new ATOM 0 HB3 LEU A 953 19.121 -7.127 -28.752 1.00 51.21 H new ATOM 0 HG LEU A 953 16.920 -8.087 -28.835 1.00 71.33 H new ATOM 0 HD11 LEU A 953 15.543 -8.387 -26.815 1.00 11.55 H new ATOM 0 HD12 LEU A 953 17.003 -9.405 -26.777 1.00 11.55 H new ATOM 0 HD13 LEU A 953 16.931 -7.916 -25.805 1.00 11.55 H new ATOM 0 HD21 LEU A 953 15.567 -6.214 -27.981 1.00 1.14 H new ATOM 0 HD22 LEU A 953 16.955 -5.656 -27.018 1.00 1.14 H new ATOM 0 HD23 LEU A 953 17.044 -5.645 -28.795 1.00 1.14 H new ATOM 732 N LEU A 954 21.802 -8.475 -27.498 1.00 73.31 N ATOM 733 CA LEU A 954 23.174 -8.414 -27.988 1.00 44.02 C ATOM 734 C LEU A 954 23.786 -9.809 -28.071 1.00 53.13 C ATOM 735 O LEU A 954 24.222 -10.242 -29.137 1.00 64.50 O ATOM 736 CB LEU A 954 24.023 -7.526 -27.077 1.00 22.25 C ATOM 737 CG LEU A 954 25.233 -6.857 -27.729 1.00 3.31 C ATOM 738 CD1 LEU A 954 24.788 -5.737 -28.657 1.00 21.12 C ATOM 739 CD2 LEU A 954 26.185 -6.325 -26.667 1.00 64.24 C ATOM 0 H LEU A 954 21.684 -8.162 -26.534 1.00 73.31 H new ATOM 0 HA LEU A 954 23.156 -7.985 -28.990 1.00 44.02 H new ATOM 0 HB2 LEU A 954 23.382 -6.748 -26.662 1.00 22.25 H new ATOM 0 HB3 LEU A 954 24.374 -8.129 -26.240 1.00 22.25 H new ATOM 0 HG LEU A 954 25.762 -7.604 -28.321 1.00 3.31 H new ATOM 0 HD11 LEU A 954 25.663 -5.272 -29.112 1.00 21.12 H new ATOM 0 HD12 LEU A 954 24.146 -6.145 -29.438 1.00 21.12 H new ATOM 0 HD13 LEU A 954 24.236 -4.990 -28.087 1.00 21.12 H new ATOM 0 HD21 LEU A 954 27.041 -5.852 -27.149 1.00 64.24 H new ATOM 0 HD22 LEU A 954 25.667 -5.593 -26.048 1.00 64.24 H new ATOM 0 HD23 LEU A 954 26.530 -7.149 -26.042 1.00 64.24 H new