USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 806 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 40 GLN : amide:sc= -3.88! K(o=-6.3!,f=-3.6) USER MOD Set 1.2: A 48 ASN : amide:sc= -2.47! C(o=-6.3!,f=-6.2!) USER MOD Single : A 4 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0542) USER MOD Single : A 5 SER OG : rot 110:sc= 0.617 USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 80:sc= 0.272 USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 1.71 (180deg=0.592) USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 0.203 (180deg=0.113) USER MOD Single : A 50 TYR OH : rot 30:sc= -0.414 USER MOD Single : A 72 THR OG1 : rot -130:sc= -0.428 USER MOD Single : A 94 SER OG : rot -36:sc= 0.254 USER MOD Single : A 103 THR OG1 : rot 140:sc= 0 USER MOD Single : A 108 THR OG1 : rot -32:sc= 0.121 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0.296 X(o=0.3,f=-0.066) USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 2.978 -1.015 -2.046 1.00 0.00 N ATOM 19 CA ARG A 2 3.243 -2.205 -2.869 1.00 0.00 C ATOM 20 C ARG A 2 4.634 -2.748 -2.517 1.00 0.00 C ATOM 21 O ARG A 2 5.659 -2.139 -2.855 1.00 0.00 O ATOM 22 CB ARG A 2 3.161 -1.856 -4.371 1.00 0.00 C ATOM 23 CG ARG A 2 1.884 -1.091 -4.773 1.00 0.00 C ATOM 24 CD ARG A 2 1.820 -0.802 -6.275 1.00 0.00 C ATOM 25 NE ARG A 2 3.021 -0.116 -6.771 1.00 0.00 N ATOM 26 CZ ARG A 2 3.249 0.205 -8.047 1.00 0.00 C ATOM 27 NH1 ARG A 2 2.333 -0.023 -8.981 1.00 0.00 N ATOM 28 NH2 ARG A 2 4.399 0.764 -8.381 1.00 0.00 N ATOM 0 HA ARG A 2 2.490 -2.966 -2.664 1.00 0.00 H new ATOM 0 HB2 ARG A 2 4.030 -1.257 -4.641 1.00 0.00 H new ATOM 0 HB3 ARG A 2 3.217 -2.778 -4.950 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.009 -1.672 -4.481 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.840 -0.151 -4.223 1.00 0.00 H new ATOM 0 HD2 ARG A 2 1.692 -1.739 -6.816 1.00 0.00 H new ATOM 0 HD3 ARG A 2 0.943 -0.190 -6.486 1.00 0.00 H new ATOM 0 HE ARG A 2 3.736 0.134 -6.088 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.441 -0.449 -8.728 1.00 0.00 H new ATOM 0 HH12 ARG A 2 2.521 0.227 -9.952 1.00 0.00 H new ATOM 0 HH21 ARG A 2 5.104 0.947 -7.667 1.00 0.00 H new ATOM 0 HH22 ARG A 2 4.582 1.013 -9.353 1.00 0.00 H new ATOM 42 N LEU A 3 4.637 -3.862 -1.790 1.00 0.00 N ATOM 43 CA LEU A 3 5.840 -4.519 -1.260 1.00 0.00 C ATOM 44 C LEU A 3 5.545 -6.017 -1.066 1.00 0.00 C ATOM 45 O LEU A 3 4.400 -6.458 -1.249 1.00 0.00 O ATOM 46 CB LEU A 3 6.313 -3.821 0.080 1.00 0.00 C ATOM 47 CG LEU A 3 5.204 -3.136 0.967 1.00 0.00 C ATOM 48 CD1 LEU A 3 4.179 -4.149 1.493 1.00 0.00 C ATOM 49 CD2 LEU A 3 5.817 -2.311 2.127 1.00 0.00 C ATOM 0 H LEU A 3 3.777 -4.352 -1.543 1.00 0.00 H new ATOM 0 HA LEU A 3 6.663 -4.420 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.819 -4.569 0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.055 -3.065 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 3 4.673 -2.442 0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.435 -3.632 2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.687 -4.638 0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.686 -4.897 2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.018 -1.857 2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.408 -2.966 2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.457 -1.529 1.719 1.00 0.00 H new ATOM 61 N LYS A 4 6.580 -6.791 -0.704 1.00 0.00 N ATOM 62 CA LYS A 4 6.430 -8.223 -0.391 1.00 0.00 C ATOM 63 C LYS A 4 5.633 -8.420 0.904 1.00 0.00 C ATOM 64 O LYS A 4 5.524 -7.501 1.718 1.00 0.00 O ATOM 65 CB LYS A 4 7.811 -8.909 -0.260 1.00 0.00 C ATOM 66 CG LYS A 4 8.652 -8.910 -1.549 1.00 0.00 C ATOM 67 CD LYS A 4 9.932 -9.746 -1.385 1.00 0.00 C ATOM 68 CE LYS A 4 10.815 -9.754 -2.637 1.00 0.00 C ATOM 69 NZ LYS A 4 11.274 -8.390 -3.030 1.00 0.00 N ATOM 0 H LYS A 4 7.537 -6.447 -0.620 1.00 0.00 H new ATOM 0 HA LYS A 4 5.885 -8.683 -1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.377 -8.410 0.527 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.661 -9.940 0.061 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.059 -9.309 -2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.916 -7.886 -1.813 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.507 -9.356 -0.546 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.659 -10.771 -1.135 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.684 -10.387 -2.459 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.261 -10.198 -3.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.947 -8.464 -3.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.456 -7.820 -3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.739 -7.933 -2.220 1.00 0.00 H new ATOM 83 N SER A 5 5.113 -9.638 1.083 1.00 0.00 N ATOM 84 CA SER A 5 4.370 -10.039 2.280 1.00 0.00 C ATOM 85 C SER A 5 5.274 -9.974 3.546 1.00 0.00 C ATOM 86 O SER A 5 4.789 -9.679 4.639 1.00 0.00 O ATOM 87 CB SER A 5 3.802 -11.454 2.047 1.00 0.00 C ATOM 88 OG SER A 5 3.023 -11.506 0.859 1.00 0.00 O ATOM 0 H SER A 5 5.198 -10.383 0.391 1.00 0.00 H new ATOM 0 HA SER A 5 3.545 -9.349 2.458 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.620 -12.171 1.980 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.190 -11.748 2.900 1.00 0.00 H new ATOM 0 HG SER A 5 3.496 -12.031 0.180 1.00 0.00 H new ATOM 94 N GLU A 6 6.598 -10.206 3.360 1.00 0.00 N ATOM 95 CA GLU A 6 7.615 -10.055 4.424 1.00 0.00 C ATOM 96 C GLU A 6 7.661 -8.606 4.935 1.00 0.00 C ATOM 97 O GLU A 6 7.539 -8.343 6.142 1.00 0.00 O ATOM 98 CB GLU A 6 9.023 -10.472 3.894 1.00 0.00 C ATOM 99 CG GLU A 6 10.187 -10.248 4.903 1.00 0.00 C ATOM 100 CD GLU A 6 11.524 -10.901 4.495 1.00 0.00 C ATOM 101 OE1 GLU A 6 11.646 -12.144 4.601 1.00 0.00 O ATOM 102 OE2 GLU A 6 12.461 -10.180 4.074 1.00 0.00 O ATOM 0 H GLU A 6 6.988 -10.503 2.466 1.00 0.00 H new ATOM 0 HA GLU A 6 7.337 -10.708 5.251 1.00 0.00 H new ATOM 0 HB2 GLU A 6 8.996 -11.526 3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 6 9.235 -9.911 2.984 1.00 0.00 H new ATOM 0 HG2 GLU A 6 10.343 -9.176 5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.888 -10.639 5.875 1.00 0.00 H new ATOM 109 N MET A 7 7.814 -7.675 3.983 1.00 0.00 N ATOM 110 CA MET A 7 7.941 -6.244 4.281 1.00 0.00 C ATOM 111 C MET A 7 6.580 -5.641 4.675 1.00 0.00 C ATOM 112 O MET A 7 6.542 -4.622 5.361 1.00 0.00 O ATOM 113 CB MET A 7 8.575 -5.482 3.090 1.00 0.00 C ATOM 114 CG MET A 7 8.849 -3.998 3.376 1.00 0.00 C ATOM 115 SD MET A 7 9.813 -3.749 4.885 1.00 0.00 S ATOM 116 CE MET A 7 9.431 -2.040 5.288 1.00 0.00 C ATOM 0 H MET A 7 7.853 -7.893 2.987 1.00 0.00 H new ATOM 0 HA MET A 7 8.610 -6.134 5.134 1.00 0.00 H new ATOM 0 HB2 MET A 7 9.512 -5.968 2.817 1.00 0.00 H new ATOM 0 HB3 MET A 7 7.913 -5.560 2.228 1.00 0.00 H new ATOM 0 HG2 MET A 7 9.383 -3.561 2.532 1.00 0.00 H new ATOM 0 HG3 MET A 7 7.901 -3.467 3.463 1.00 0.00 H new ATOM 0 HE1 MET A 7 9.959 -1.754 6.198 1.00 0.00 H new ATOM 0 HE2 MET A 7 9.744 -1.394 4.468 1.00 0.00 H new ATOM 0 HE3 MET A 7 8.357 -1.934 5.443 1.00 0.00 H new ATOM 126 N PHE A 8 5.464 -6.284 4.256 1.00 0.00 N ATOM 127 CA PHE A 8 4.110 -5.854 4.658 1.00 0.00 C ATOM 128 C PHE A 8 3.947 -6.051 6.166 1.00 0.00 C ATOM 129 O PHE A 8 3.418 -5.181 6.847 1.00 0.00 O ATOM 130 CB PHE A 8 2.987 -6.614 3.886 1.00 0.00 C ATOM 131 CG PHE A 8 1.589 -5.996 4.089 1.00 0.00 C ATOM 132 CD1 PHE A 8 0.828 -6.288 5.223 1.00 0.00 C ATOM 133 CD2 PHE A 8 1.061 -5.085 3.169 1.00 0.00 C ATOM 134 CE1 PHE A 8 -0.403 -5.702 5.425 1.00 0.00 C ATOM 135 CE2 PHE A 8 -0.175 -4.496 3.375 1.00 0.00 C ATOM 136 CZ PHE A 8 -0.906 -4.802 4.503 1.00 0.00 C ATOM 0 H PHE A 8 5.478 -7.099 3.642 1.00 0.00 H new ATOM 0 HA PHE A 8 4.004 -4.799 4.404 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.225 -6.619 2.822 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.969 -7.654 4.213 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.211 -6.985 5.954 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.627 -4.837 2.283 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.977 -5.946 6.307 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.567 -3.796 2.651 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.869 -4.340 4.666 1.00 0.00 H new ATOM 146 N VAL A 9 4.421 -7.205 6.658 1.00 0.00 N ATOM 147 CA VAL A 9 4.445 -7.525 8.095 1.00 0.00 C ATOM 148 C VAL A 9 5.288 -6.501 8.863 1.00 0.00 C ATOM 149 O VAL A 9 4.818 -5.914 9.834 1.00 0.00 O ATOM 150 CB VAL A 9 5.012 -8.968 8.333 1.00 0.00 C ATOM 151 CG1 VAL A 9 5.321 -9.235 9.816 1.00 0.00 C ATOM 152 CG2 VAL A 9 4.037 -10.019 7.782 1.00 0.00 C ATOM 0 H VAL A 9 4.800 -7.946 6.069 1.00 0.00 H new ATOM 0 HA VAL A 9 3.420 -7.486 8.465 1.00 0.00 H new ATOM 0 HB VAL A 9 5.957 -9.042 7.794 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.711 -10.246 9.930 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.063 -8.518 10.168 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.408 -9.130 10.403 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.442 -11.016 7.953 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.077 -9.925 8.289 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.899 -9.862 6.712 1.00 0.00 H new ATOM 162 N SER A 10 6.521 -6.280 8.374 1.00 0.00 N ATOM 163 CA SER A 10 7.479 -5.335 8.976 1.00 0.00 C ATOM 164 C SER A 10 6.887 -3.912 9.034 1.00 0.00 C ATOM 165 O SER A 10 7.049 -3.201 10.021 1.00 0.00 O ATOM 166 CB SER A 10 8.793 -5.345 8.167 1.00 0.00 C ATOM 167 OG SER A 10 9.291 -6.666 8.035 1.00 0.00 O ATOM 0 H SER A 10 6.883 -6.754 7.546 1.00 0.00 H new ATOM 0 HA SER A 10 7.687 -5.649 9.999 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.621 -4.916 7.180 1.00 0.00 H new ATOM 0 HB3 SER A 10 9.535 -4.719 8.662 1.00 0.00 H new ATOM 0 HG SER A 10 8.802 -7.130 7.324 1.00 0.00 H new ATOM 173 N ALA A 11 6.142 -3.552 7.980 1.00 0.00 N ATOM 174 CA ALA A 11 5.467 -2.253 7.867 1.00 0.00 C ATOM 175 C ALA A 11 4.250 -2.184 8.806 1.00 0.00 C ATOM 176 O ALA A 11 4.034 -1.162 9.444 1.00 0.00 O ATOM 177 CB ALA A 11 5.054 -1.995 6.409 1.00 0.00 C ATOM 0 H ALA A 11 5.990 -4.160 7.175 1.00 0.00 H new ATOM 0 HA ALA A 11 6.164 -1.472 8.171 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.554 -1.029 6.338 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.940 -1.993 5.775 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.374 -2.780 6.079 1.00 0.00 H new ATOM 183 N LEU A 12 3.515 -3.310 8.920 1.00 0.00 N ATOM 184 CA LEU A 12 2.270 -3.429 9.724 1.00 0.00 C ATOM 185 C LEU A 12 2.594 -3.193 11.206 1.00 0.00 C ATOM 186 O LEU A 12 1.888 -2.468 11.911 1.00 0.00 O ATOM 187 CB LEU A 12 1.631 -4.838 9.488 1.00 0.00 C ATOM 188 CG LEU A 12 0.088 -5.011 9.742 1.00 0.00 C ATOM 189 CD1 LEU A 12 -0.397 -6.373 9.202 1.00 0.00 C ATOM 190 CD2 LEU A 12 -0.309 -4.860 11.232 1.00 0.00 C ATOM 0 H LEU A 12 3.770 -4.179 8.450 1.00 0.00 H new ATOM 0 HA LEU A 12 1.546 -2.675 9.414 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.832 -5.125 8.456 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.154 -5.551 10.125 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.404 -4.202 9.202 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.466 -6.477 9.385 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.206 -6.429 8.130 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.138 -7.177 9.708 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.386 -4.991 11.337 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.207 -5.615 11.824 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.028 -3.868 11.585 1.00 0.00 H new ATOM 202 N ILE A 13 3.705 -3.793 11.629 1.00 0.00 N ATOM 203 CA ILE A 13 4.249 -3.657 12.981 1.00 0.00 C ATOM 204 C ILE A 13 4.589 -2.179 13.281 1.00 0.00 C ATOM 205 O ILE A 13 4.242 -1.652 14.331 1.00 0.00 O ATOM 206 CB ILE A 13 5.501 -4.605 13.123 1.00 0.00 C ATOM 207 CG1 ILE A 13 5.041 -6.101 12.990 1.00 0.00 C ATOM 208 CG2 ILE A 13 6.277 -4.365 14.441 1.00 0.00 C ATOM 209 CD1 ILE A 13 6.150 -7.107 12.779 1.00 0.00 C ATOM 0 H ILE A 13 4.265 -4.400 11.030 1.00 0.00 H new ATOM 0 HA ILE A 13 3.507 -3.960 13.720 1.00 0.00 H new ATOM 0 HB ILE A 13 6.198 -4.372 12.318 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.492 -6.375 13.891 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.343 -6.175 12.156 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.129 -5.043 14.490 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.630 -3.334 14.473 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.618 -4.549 15.290 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.724 -8.107 12.700 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.688 -6.868 11.861 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.839 -7.072 13.623 1.00 0.00 H new ATOM 221 N ARG A 14 5.189 -1.503 12.300 1.00 0.00 N ATOM 222 CA ARG A 14 5.542 -0.069 12.407 1.00 0.00 C ATOM 223 C ARG A 14 4.273 0.827 12.396 1.00 0.00 C ATOM 224 O ARG A 14 4.277 1.901 13.004 1.00 0.00 O ATOM 225 CB ARG A 14 6.531 0.317 11.268 1.00 0.00 C ATOM 226 CG ARG A 14 8.037 0.030 11.545 1.00 0.00 C ATOM 227 CD ARG A 14 8.325 -1.351 12.167 1.00 0.00 C ATOM 228 NE ARG A 14 9.733 -1.760 11.998 1.00 0.00 N ATOM 229 CZ ARG A 14 10.341 -2.747 12.671 1.00 0.00 C ATOM 230 NH1 ARG A 14 9.724 -3.387 13.658 1.00 0.00 N ATOM 231 NH2 ARG A 14 11.585 -3.070 12.366 1.00 0.00 N ATOM 0 H ARG A 14 5.447 -1.924 11.408 1.00 0.00 H new ATOM 0 HA ARG A 14 6.037 0.101 13.363 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.240 -0.218 10.364 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.417 1.381 11.059 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.587 0.113 10.608 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.423 0.801 12.211 1.00 0.00 H new ATOM 0 HD2 ARG A 14 8.081 -1.326 13.229 1.00 0.00 H new ATOM 0 HD3 ARG A 14 7.675 -2.096 11.708 1.00 0.00 H new ATOM 0 HE ARG A 14 10.289 -1.249 11.312 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.771 -3.130 13.915 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.203 -4.136 14.159 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.075 -2.570 11.624 1.00 0.00 H new ATOM 0 HH22 ARG A 14 12.056 -3.820 12.873 1.00 0.00 H new ATOM 245 N ARG A 15 3.190 0.357 11.730 1.00 0.00 N ATOM 246 CA ARG A 15 1.893 1.073 11.680 1.00 0.00 C ATOM 247 C ARG A 15 1.240 1.120 13.075 1.00 0.00 C ATOM 248 O ARG A 15 0.694 2.156 13.475 1.00 0.00 O ATOM 249 CB ARG A 15 0.902 0.402 10.683 1.00 0.00 C ATOM 250 CG ARG A 15 1.338 0.382 9.202 1.00 0.00 C ATOM 251 CD ARG A 15 0.315 -0.332 8.290 1.00 0.00 C ATOM 252 NE ARG A 15 0.797 -0.477 6.898 1.00 0.00 N ATOM 253 CZ ARG A 15 0.073 -0.966 5.869 1.00 0.00 C ATOM 254 NH1 ARG A 15 -1.186 -1.356 6.047 1.00 0.00 N ATOM 255 NH2 ARG A 15 0.620 -1.039 4.658 1.00 0.00 N ATOM 0 H ARG A 15 3.191 -0.524 11.216 1.00 0.00 H new ATOM 0 HA ARG A 15 2.105 2.086 11.337 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.734 -0.626 11.005 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.056 0.918 10.752 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.477 1.406 8.854 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.304 -0.117 9.118 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.095 -1.318 8.699 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.620 0.229 8.290 1.00 0.00 H new ATOM 0 HE ARG A 15 1.754 -0.184 6.700 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.616 -1.287 6.970 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.722 -1.724 5.261 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.580 -0.727 4.512 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.079 -1.407 3.876 1.00 0.00 H new ATOM 269 N VAL A 16 1.296 -0.017 13.807 1.00 0.00 N ATOM 270 CA VAL A 16 0.634 -0.132 15.119 1.00 0.00 C ATOM 271 C VAL A 16 1.381 0.680 16.190 1.00 0.00 C ATOM 272 O VAL A 16 0.747 1.312 17.022 1.00 0.00 O ATOM 273 CB VAL A 16 0.433 -1.622 15.602 1.00 0.00 C ATOM 274 CG1 VAL A 16 -0.178 -2.503 14.493 1.00 0.00 C ATOM 275 CG2 VAL A 16 1.726 -2.247 16.133 1.00 0.00 C ATOM 0 H VAL A 16 1.790 -0.859 13.511 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.364 0.285 14.980 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.272 -1.578 16.432 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.301 -3.521 14.863 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.149 -2.102 14.204 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.484 -2.509 13.627 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.531 -3.271 16.451 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.479 -2.249 15.345 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.089 -1.666 16.981 1.00 0.00 H new ATOM 285 N PHE A 17 2.732 0.666 16.146 1.00 0.00 N ATOM 286 CA PHE A 17 3.570 1.442 17.081 1.00 0.00 C ATOM 287 C PHE A 17 3.445 2.951 16.791 1.00 0.00 C ATOM 288 O PHE A 17 3.574 3.772 17.705 1.00 0.00 O ATOM 289 CB PHE A 17 5.049 0.958 17.053 1.00 0.00 C ATOM 290 CG PHE A 17 5.291 -0.344 17.835 1.00 0.00 C ATOM 291 CD1 PHE A 17 5.512 -0.314 19.213 1.00 0.00 C ATOM 292 CD2 PHE A 17 5.289 -1.587 17.205 1.00 0.00 C ATOM 293 CE1 PHE A 17 5.726 -1.481 19.924 1.00 0.00 C ATOM 294 CE2 PHE A 17 5.500 -2.752 17.919 1.00 0.00 C ATOM 295 CZ PHE A 17 5.719 -2.698 19.277 1.00 0.00 C ATOM 0 H PHE A 17 3.265 0.122 15.468 1.00 0.00 H new ATOM 0 HA PHE A 17 3.206 1.271 18.094 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.354 0.810 16.017 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.686 1.741 17.464 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.516 0.634 19.731 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.120 -1.641 16.140 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.899 -1.438 20.989 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.493 -3.705 17.411 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.885 -3.608 19.835 1.00 0.00 H new ATOM 305 N ALA A 18 3.167 3.304 15.515 1.00 0.00 N ATOM 306 CA ALA A 18 2.816 4.688 15.123 1.00 0.00 C ATOM 307 C ALA A 18 1.478 5.119 15.769 1.00 0.00 C ATOM 308 O ALA A 18 1.281 6.292 16.092 1.00 0.00 O ATOM 309 CB ALA A 18 2.743 4.814 13.589 1.00 0.00 C ATOM 0 H ALA A 18 3.179 2.646 14.736 1.00 0.00 H new ATOM 0 HA ALA A 18 3.599 5.354 15.486 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.484 5.838 13.320 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.710 4.559 13.157 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.983 4.134 13.204 1.00 0.00 H new ATOM 315 N ALA A 19 0.571 4.142 15.954 1.00 0.00 N ATOM 316 CA ALA A 19 -0.732 4.346 16.627 1.00 0.00 C ATOM 317 C ALA A 19 -0.619 4.196 18.162 1.00 0.00 C ATOM 318 O ALA A 19 -1.523 4.614 18.887 1.00 0.00 O ATOM 319 CB ALA A 19 -1.762 3.355 16.065 1.00 0.00 C ATOM 0 H ALA A 19 0.719 3.183 15.640 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.059 5.366 16.427 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.721 3.506 16.561 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.878 3.519 14.994 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.419 2.335 16.241 1.00 0.00 H new ATOM 325 N GLY A 20 0.486 3.584 18.640 1.00 0.00 N ATOM 326 CA GLY A 20 0.733 3.382 20.082 1.00 0.00 C ATOM 327 C GLY A 20 0.655 1.913 20.517 1.00 0.00 C ATOM 328 O GLY A 20 1.116 1.564 21.610 1.00 0.00 O ATOM 0 H GLY A 20 1.226 3.219 18.041 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.719 3.775 20.332 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.005 3.960 20.652 1.00 0.00 H new ATOM 332 N GLY A 21 0.060 1.062 19.663 1.00 0.00 N ATOM 333 CA GLY A 21 -0.127 -0.366 19.960 1.00 0.00 C ATOM 334 C GLY A 21 1.148 -1.210 19.823 1.00 0.00 C ATOM 335 O GLY A 21 2.225 -0.693 19.511 1.00 0.00 O ATOM 0 H GLY A 21 -0.303 1.344 18.752 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.509 -0.467 20.976 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.889 -0.768 19.292 1.00 0.00 H new ATOM 339 N PHE A 22 0.992 -2.531 20.020 1.00 0.00 N ATOM 340 CA PHE A 22 2.102 -3.520 20.021 1.00 0.00 C ATOM 341 C PHE A 22 1.965 -4.447 18.805 1.00 0.00 C ATOM 342 O PHE A 22 0.879 -4.565 18.247 1.00 0.00 O ATOM 343 CB PHE A 22 2.078 -4.343 21.346 1.00 0.00 C ATOM 344 CG PHE A 22 3.075 -5.514 21.404 1.00 0.00 C ATOM 345 CD1 PHE A 22 4.450 -5.280 21.465 1.00 0.00 C ATOM 346 CD2 PHE A 22 2.635 -6.842 21.379 1.00 0.00 C ATOM 347 CE1 PHE A 22 5.349 -6.328 21.498 1.00 0.00 C ATOM 348 CE2 PHE A 22 3.537 -7.888 21.414 1.00 0.00 C ATOM 349 CZ PHE A 22 4.893 -7.631 21.475 1.00 0.00 C ATOM 0 H PHE A 22 0.080 -2.955 20.186 1.00 0.00 H new ATOM 0 HA PHE A 22 3.056 -2.997 19.958 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.283 -3.669 22.178 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.072 -4.735 21.494 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.816 -4.264 21.487 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.577 -7.052 21.332 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.409 -6.128 21.542 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.182 -8.908 21.394 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.597 -8.450 21.505 1.00 0.00 H new ATOM 359 N ALA A 23 3.084 -5.075 18.387 1.00 0.00 N ATOM 360 CA ALA A 23 3.096 -6.097 17.326 1.00 0.00 C ATOM 361 C ALA A 23 4.333 -6.990 17.433 1.00 0.00 C ATOM 362 O ALA A 23 5.356 -6.573 17.993 1.00 0.00 O ATOM 363 CB ALA A 23 3.033 -5.459 15.944 1.00 0.00 C ATOM 0 H ALA A 23 4.006 -4.885 18.779 1.00 0.00 H new ATOM 0 HA ALA A 23 2.208 -6.715 17.463 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.043 -6.239 15.182 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.116 -4.876 15.854 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.894 -4.805 15.806 1.00 0.00 H new ATOM 369 N ALA A 24 4.232 -8.207 16.855 1.00 0.00 N ATOM 370 CA ALA A 24 5.315 -9.201 16.864 1.00 0.00 C ATOM 371 C ALA A 24 4.999 -10.337 15.878 1.00 0.00 C ATOM 372 O ALA A 24 3.953 -10.986 15.987 1.00 0.00 O ATOM 373 CB ALA A 24 5.530 -9.755 18.286 1.00 0.00 C ATOM 0 H ALA A 24 3.393 -8.523 16.369 1.00 0.00 H new ATOM 0 HA ALA A 24 6.238 -8.715 16.548 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.335 -10.489 18.272 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.794 -8.939 18.958 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.612 -10.229 18.634 1.00 0.00 H new ATOM 379 N VAL A 25 5.904 -10.559 14.910 1.00 0.00 N ATOM 380 CA VAL A 25 5.775 -11.644 13.922 1.00 0.00 C ATOM 381 C VAL A 25 6.362 -12.961 14.486 1.00 0.00 C ATOM 382 O VAL A 25 7.584 -13.150 14.553 1.00 0.00 O ATOM 383 CB VAL A 25 6.415 -11.256 12.528 1.00 0.00 C ATOM 384 CG1 VAL A 25 7.862 -10.706 12.655 1.00 0.00 C ATOM 385 CG2 VAL A 25 6.339 -12.438 11.521 1.00 0.00 C ATOM 0 H VAL A 25 6.744 -9.993 14.790 1.00 0.00 H new ATOM 0 HA VAL A 25 4.713 -11.804 13.734 1.00 0.00 H new ATOM 0 HB VAL A 25 5.814 -10.437 12.132 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.245 -10.458 11.665 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.858 -9.811 13.277 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.500 -11.462 13.112 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.787 -12.138 10.574 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.880 -13.294 11.924 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.296 -12.711 11.359 1.00 0.00 H new ATOM 395 N GLU A 26 5.454 -13.843 14.924 1.00 0.00 N ATOM 396 CA GLU A 26 5.776 -15.151 15.509 1.00 0.00 C ATOM 397 C GLU A 26 6.219 -16.157 14.435 1.00 0.00 C ATOM 398 O GLU A 26 7.347 -16.659 14.480 1.00 0.00 O ATOM 399 CB GLU A 26 4.547 -15.683 16.297 1.00 0.00 C ATOM 400 CG GLU A 26 4.126 -14.787 17.479 1.00 0.00 C ATOM 401 CD GLU A 26 5.237 -14.623 18.531 1.00 0.00 C ATOM 402 OE1 GLU A 26 5.394 -15.529 19.381 1.00 0.00 O ATOM 403 OE2 GLU A 26 5.976 -13.606 18.499 1.00 0.00 O ATOM 0 H GLU A 26 4.451 -13.662 14.880 1.00 0.00 H new ATOM 0 HA GLU A 26 6.615 -15.027 16.194 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.705 -15.784 15.612 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.773 -16.681 16.673 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.843 -13.805 17.101 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.242 -15.213 17.954 1.00 0.00 H new ATOM 410 N LYS A 27 5.325 -16.455 13.475 1.00 0.00 N ATOM 411 CA LYS A 27 5.618 -17.419 12.396 1.00 0.00 C ATOM 412 C LYS A 27 6.104 -16.686 11.138 1.00 0.00 C ATOM 413 O LYS A 27 5.665 -15.570 10.847 1.00 0.00 O ATOM 414 CB LYS A 27 4.369 -18.270 12.044 1.00 0.00 C ATOM 415 CG LYS A 27 4.645 -19.366 10.998 1.00 0.00 C ATOM 416 CD LYS A 27 3.395 -20.141 10.529 1.00 0.00 C ATOM 417 CE LYS A 27 3.778 -21.236 9.517 1.00 0.00 C ATOM 418 NZ LYS A 27 4.771 -20.737 8.516 1.00 0.00 N ATOM 0 H LYS A 27 4.393 -16.043 13.423 1.00 0.00 H new ATOM 0 HA LYS A 27 6.403 -18.084 12.757 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.988 -18.735 12.953 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.585 -17.612 11.670 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.119 -18.909 10.129 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.360 -20.075 11.415 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.897 -20.591 11.388 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.684 -19.452 10.074 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.194 -22.093 10.047 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.883 -21.584 9.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.854 -21.422 7.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.454 -19.821 8.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.697 -20.620 8.974 1.00 0.00 H new ATOM 432 N LYS A 28 6.985 -17.357 10.388 1.00 0.00 N ATOM 433 CA LYS A 28 7.519 -16.881 9.113 1.00 0.00 C ATOM 434 C LYS A 28 7.275 -17.938 8.013 1.00 0.00 C ATOM 435 O LYS A 28 7.231 -19.140 8.296 1.00 0.00 O ATOM 436 CB LYS A 28 9.038 -16.592 9.268 1.00 0.00 C ATOM 437 CG LYS A 28 9.716 -16.111 7.974 1.00 0.00 C ATOM 438 CD LYS A 28 11.214 -15.802 8.135 1.00 0.00 C ATOM 439 CE LYS A 28 11.828 -15.255 6.837 1.00 0.00 C ATOM 440 NZ LYS A 28 11.671 -16.198 5.691 1.00 0.00 N ATOM 0 H LYS A 28 7.354 -18.268 10.660 1.00 0.00 H new ATOM 0 HA LYS A 28 7.012 -15.961 8.823 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.177 -15.837 10.042 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.537 -17.498 9.613 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.593 -16.874 7.205 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.206 -15.215 7.619 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.351 -15.075 8.936 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.742 -16.708 8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.357 -14.304 6.588 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.887 -15.054 6.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.202 -15.840 4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.037 -17.134 5.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.664 -16.278 5.443 1.00 0.00 H new ATOM 454 N GLY A 29 7.076 -17.460 6.778 1.00 0.00 N ATOM 455 CA GLY A 29 7.062 -18.307 5.580 1.00 0.00 C ATOM 456 C GLY A 29 7.792 -17.651 4.410 1.00 0.00 C ATOM 457 O GLY A 29 8.937 -17.199 4.573 1.00 0.00 O ATOM 0 H GLY A 29 6.920 -16.471 6.582 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.529 -19.265 5.808 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.031 -18.514 5.294 1.00 0.00 H new ATOM 461 N ALA A 30 7.116 -17.573 3.244 1.00 0.00 N ATOM 462 CA ALA A 30 7.694 -17.035 1.987 1.00 0.00 C ATOM 463 C ALA A 30 7.583 -15.497 1.925 1.00 0.00 C ATOM 464 O ALA A 30 6.590 -14.926 2.387 1.00 0.00 O ATOM 465 CB ALA A 30 7.001 -17.674 0.770 1.00 0.00 C ATOM 0 H ALA A 30 6.149 -17.882 3.144 1.00 0.00 H new ATOM 0 HA ALA A 30 8.754 -17.290 1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.433 -17.272 -0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.144 -18.754 0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.935 -17.448 0.798 1.00 0.00 H new ATOM 471 N GLU A 31 8.593 -14.847 1.305 1.00 0.00 N ATOM 472 CA GLU A 31 8.718 -13.373 1.275 1.00 0.00 C ATOM 473 C GLU A 31 7.532 -12.704 0.546 1.00 0.00 C ATOM 474 O GLU A 31 6.783 -11.961 1.155 1.00 0.00 O ATOM 475 CB GLU A 31 10.042 -12.953 0.589 1.00 0.00 C ATOM 476 CG GLU A 31 11.323 -13.392 1.313 1.00 0.00 C ATOM 477 CD GLU A 31 12.592 -13.127 0.475 1.00 0.00 C ATOM 478 OE1 GLU A 31 12.959 -13.992 -0.355 1.00 0.00 O ATOM 479 OE2 GLU A 31 13.216 -12.055 0.626 1.00 0.00 O ATOM 0 H GLU A 31 9.344 -15.330 0.812 1.00 0.00 H new ATOM 0 HA GLU A 31 8.715 -13.035 2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.056 -13.364 -0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.053 -11.867 0.491 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.400 -12.862 2.262 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.260 -14.455 1.546 1.00 0.00 H new ATOM 486 N ALA A 32 7.382 -12.969 -0.760 1.00 0.00 N ATOM 487 CA ALA A 32 6.298 -12.380 -1.582 1.00 0.00 C ATOM 488 C ALA A 32 5.089 -13.328 -1.667 1.00 0.00 C ATOM 489 O ALA A 32 3.940 -12.902 -1.523 1.00 0.00 O ATOM 490 CB ALA A 32 6.816 -12.035 -2.990 1.00 0.00 C ATOM 0 H ALA A 32 8.000 -13.592 -1.279 1.00 0.00 H new ATOM 0 HA ALA A 32 5.969 -11.460 -1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.007 -11.604 -3.580 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.631 -11.316 -2.912 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.177 -12.941 -3.477 1.00 0.00 H new ATOM 496 N ALA A 33 5.373 -14.623 -1.882 1.00 0.00 N ATOM 497 CA ALA A 33 4.345 -15.654 -2.156 1.00 0.00 C ATOM 498 C ALA A 33 3.640 -16.157 -0.877 1.00 0.00 C ATOM 499 O ALA A 33 2.715 -16.980 -0.966 1.00 0.00 O ATOM 500 CB ALA A 33 4.990 -16.829 -2.918 1.00 0.00 C ATOM 0 H ALA A 33 6.324 -14.991 -1.872 1.00 0.00 H new ATOM 0 HA ALA A 33 3.571 -15.192 -2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.236 -17.589 -3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.404 -16.468 -3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.787 -17.261 -2.313 1.00 0.00 H new ATOM 506 N GLY A 34 4.066 -15.658 0.299 1.00 0.00 N ATOM 507 CA GLY A 34 3.526 -16.117 1.581 1.00 0.00 C ATOM 508 C GLY A 34 2.226 -15.419 1.958 1.00 0.00 C ATOM 509 O GLY A 34 2.051 -14.235 1.651 1.00 0.00 O ATOM 0 H GLY A 34 4.783 -14.937 0.382 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.355 -17.192 1.534 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.265 -15.946 2.364 1.00 0.00 H new ATOM 513 N ALA A 35 1.301 -16.158 2.601 1.00 0.00 N ATOM 514 CA ALA A 35 0.074 -15.574 3.182 1.00 0.00 C ATOM 515 C ALA A 35 0.418 -14.865 4.507 1.00 0.00 C ATOM 516 O ALA A 35 1.476 -15.109 5.076 1.00 0.00 O ATOM 517 CB ALA A 35 -0.984 -16.671 3.398 1.00 0.00 C ATOM 0 H ALA A 35 1.380 -17.166 2.732 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.342 -14.838 2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.884 -16.229 3.826 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.227 -17.135 2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.591 -17.426 4.079 1.00 0.00 H new ATOM 523 N ILE A 36 -0.462 -13.971 4.989 1.00 0.00 N ATOM 524 CA ILE A 36 -0.246 -13.236 6.259 1.00 0.00 C ATOM 525 C ILE A 36 -1.527 -13.308 7.101 1.00 0.00 C ATOM 526 O ILE A 36 -2.563 -12.783 6.686 1.00 0.00 O ATOM 527 CB ILE A 36 0.110 -11.714 6.037 1.00 0.00 C ATOM 528 CG1 ILE A 36 1.251 -11.499 4.997 1.00 0.00 C ATOM 529 CG2 ILE A 36 0.464 -11.029 7.386 1.00 0.00 C ATOM 530 CD1 ILE A 36 2.583 -12.109 5.374 1.00 0.00 C ATOM 0 H ILE A 36 -1.336 -13.735 4.519 1.00 0.00 H new ATOM 0 HA ILE A 36 0.599 -13.708 6.761 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.782 -11.246 5.622 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.935 -11.917 4.041 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.388 -10.428 4.847 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.706 -9.981 7.209 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.388 -11.096 8.063 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.323 -11.529 7.834 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.311 -11.906 4.589 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.930 -11.675 6.312 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.469 -13.186 5.494 1.00 0.00 H new ATOM 542 N PHE A 37 -1.459 -13.961 8.272 1.00 0.00 N ATOM 543 CA PHE A 37 -2.577 -14.041 9.214 1.00 0.00 C ATOM 544 C PHE A 37 -2.196 -13.289 10.491 1.00 0.00 C ATOM 545 O PHE A 37 -1.224 -13.639 11.163 1.00 0.00 O ATOM 546 CB PHE A 37 -2.968 -15.524 9.467 1.00 0.00 C ATOM 547 CG PHE A 37 -3.637 -16.142 8.241 1.00 0.00 C ATOM 548 CD1 PHE A 37 -2.883 -16.739 7.234 1.00 0.00 C ATOM 549 CD2 PHE A 37 -5.016 -16.062 8.071 1.00 0.00 C ATOM 550 CE1 PHE A 37 -3.485 -17.238 6.100 1.00 0.00 C ATOM 551 CE2 PHE A 37 -5.621 -16.569 6.938 1.00 0.00 C ATOM 552 CZ PHE A 37 -4.854 -17.153 5.950 1.00 0.00 C ATOM 0 H PHE A 37 -0.622 -14.449 8.590 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.466 -13.564 8.801 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.078 -16.097 9.725 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.644 -15.583 10.320 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.811 -16.812 7.344 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.621 -15.597 8.835 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.885 -17.696 5.328 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.693 -16.509 6.825 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.325 -17.543 5.060 1.00 0.00 H new ATOM 562 N VAL A 38 -2.947 -12.214 10.771 1.00 0.00 N ATOM 563 CA VAL A 38 -2.716 -11.293 11.896 1.00 0.00 C ATOM 564 C VAL A 38 -3.900 -11.367 12.866 1.00 0.00 C ATOM 565 O VAL A 38 -5.040 -11.436 12.426 1.00 0.00 O ATOM 566 CB VAL A 38 -2.551 -9.805 11.388 1.00 0.00 C ATOM 567 CG1 VAL A 38 -2.242 -8.826 12.549 1.00 0.00 C ATOM 568 CG2 VAL A 38 -1.463 -9.708 10.300 1.00 0.00 C ATOM 0 H VAL A 38 -3.755 -11.953 10.206 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.797 -11.591 12.400 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.506 -9.511 10.953 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.137 -7.815 12.154 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.057 -8.850 13.272 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.314 -9.123 13.038 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.371 -8.674 9.969 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.510 -10.045 10.708 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.738 -10.337 9.453 1.00 0.00 H new ATOM 578 N ARG A 39 -3.633 -11.368 14.185 1.00 0.00 N ATOM 579 CA ARG A 39 -4.698 -11.237 15.199 1.00 0.00 C ATOM 580 C ARG A 39 -4.566 -9.885 15.910 1.00 0.00 C ATOM 581 O ARG A 39 -3.491 -9.540 16.399 1.00 0.00 O ATOM 582 CB ARG A 39 -4.725 -12.407 16.244 1.00 0.00 C ATOM 583 CG ARG A 39 -3.500 -12.556 17.198 1.00 0.00 C ATOM 584 CD ARG A 39 -2.265 -13.169 16.525 1.00 0.00 C ATOM 585 NE ARG A 39 -2.559 -14.475 15.921 1.00 0.00 N ATOM 586 CZ ARG A 39 -2.403 -14.777 14.635 1.00 0.00 C ATOM 587 NH1 ARG A 39 -1.865 -13.917 13.793 1.00 0.00 N ATOM 588 NH2 ARG A 39 -2.741 -15.959 14.199 1.00 0.00 N ATOM 0 H ARG A 39 -2.694 -11.458 14.573 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.648 -11.294 14.667 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.617 -12.286 16.859 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.840 -13.343 15.697 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.238 -11.575 17.594 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.786 -13.177 18.047 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.896 -12.489 15.757 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.469 -13.281 17.261 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.911 -15.209 16.536 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.560 -13.002 14.124 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.754 -14.167 12.810 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.124 -16.650 14.844 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.622 -16.192 13.213 1.00 0.00 H new ATOM 602 N GLN A 40 -5.656 -9.104 15.901 1.00 0.00 N ATOM 603 CA GLN A 40 -5.811 -7.934 16.771 1.00 0.00 C ATOM 604 C GLN A 40 -6.261 -8.414 18.140 1.00 0.00 C ATOM 605 O GLN A 40 -7.160 -9.232 18.240 1.00 0.00 O ATOM 606 CB GLN A 40 -6.824 -6.906 16.178 1.00 0.00 C ATOM 607 CG GLN A 40 -7.546 -6.010 17.212 1.00 0.00 C ATOM 608 CD GLN A 40 -8.182 -4.766 16.609 1.00 0.00 C ATOM 609 OE1 GLN A 40 -9.311 -4.784 16.131 1.00 0.00 O ATOM 610 NE2 GLN A 40 -7.453 -3.673 16.670 1.00 0.00 N ATOM 0 H GLN A 40 -6.455 -9.268 15.288 1.00 0.00 H new ATOM 0 HA GLN A 40 -4.855 -7.416 16.853 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -6.294 -6.264 15.475 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -7.576 -7.451 15.608 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.318 -6.596 17.710 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -6.832 -5.707 17.978 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -6.518 -3.706 17.077 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -7.823 -2.793 16.311 1.00 0.00 H new ATOM 619 N ARG A 41 -5.630 -7.878 19.178 1.00 0.00 N ATOM 620 CA ARG A 41 -5.915 -8.215 20.561 1.00 0.00 C ATOM 621 C ARG A 41 -6.504 -6.977 21.227 1.00 0.00 C ATOM 622 O ARG A 41 -5.873 -5.916 21.247 1.00 0.00 O ATOM 623 CB ARG A 41 -4.628 -8.684 21.271 1.00 0.00 C ATOM 624 CG ARG A 41 -4.866 -9.300 22.669 1.00 0.00 C ATOM 625 CD ARG A 41 -3.587 -9.930 23.260 1.00 0.00 C ATOM 626 NE ARG A 41 -3.868 -10.739 24.462 1.00 0.00 N ATOM 627 CZ ARG A 41 -4.128 -12.059 24.465 1.00 0.00 C ATOM 628 NH1 ARG A 41 -4.186 -12.756 23.330 1.00 0.00 N ATOM 629 NH2 ARG A 41 -4.348 -12.676 25.614 1.00 0.00 N ATOM 0 H ARG A 41 -4.891 -7.183 19.076 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.629 -9.036 20.623 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.127 -9.420 20.642 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.951 -7.836 21.370 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.233 -8.528 23.345 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.644 -10.060 22.600 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.111 -10.556 22.506 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.879 -9.141 23.513 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.865 -10.259 25.362 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.032 -12.289 22.436 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.385 -13.756 23.355 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.320 -12.151 26.488 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.546 -13.677 25.626 1.00 0.00 H new ATOM 643 N LEU A 42 -7.721 -7.125 21.731 1.00 0.00 N ATOM 644 CA LEU A 42 -8.497 -6.036 22.315 1.00 0.00 C ATOM 645 C LEU A 42 -8.263 -5.957 23.826 1.00 0.00 C ATOM 646 O LEU A 42 -7.882 -6.947 24.471 1.00 0.00 O ATOM 647 CB LEU A 42 -10.007 -6.254 22.015 1.00 0.00 C ATOM 648 CG LEU A 42 -10.391 -6.300 20.501 1.00 0.00 C ATOM 649 CD1 LEU A 42 -11.850 -6.755 20.303 1.00 0.00 C ATOM 650 CD2 LEU A 42 -10.145 -4.932 19.821 1.00 0.00 C ATOM 0 H LEU A 42 -8.207 -8.021 21.747 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.174 -5.094 21.871 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.321 -7.188 22.480 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.574 -5.454 22.492 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.745 -7.037 20.023 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.083 -6.776 19.238 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.980 -7.753 20.722 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.520 -6.059 20.808 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.421 -4.994 18.768 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.750 -4.168 20.310 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.091 -4.668 19.905 1.00 0.00 H new ATOM 662 N ARG A 43 -8.527 -4.763 24.357 1.00 0.00 N ATOM 663 CA ARG A 43 -8.576 -4.467 25.802 1.00 0.00 C ATOM 664 C ARG A 43 -9.558 -5.406 26.554 1.00 0.00 C ATOM 665 O ARG A 43 -9.359 -5.717 27.731 1.00 0.00 O ATOM 666 CB ARG A 43 -9.024 -2.990 25.955 1.00 0.00 C ATOM 667 CG ARG A 43 -10.374 -2.691 25.251 1.00 0.00 C ATOM 668 CD ARG A 43 -10.807 -1.223 25.290 1.00 0.00 C ATOM 669 NE ARG A 43 -12.077 -1.040 24.560 1.00 0.00 N ATOM 670 CZ ARG A 43 -12.500 0.102 24.010 1.00 0.00 C ATOM 671 NH1 ARG A 43 -11.768 1.203 24.078 1.00 0.00 N ATOM 672 NH2 ARG A 43 -13.662 0.136 23.385 1.00 0.00 N ATOM 0 H ARG A 43 -8.720 -3.944 23.780 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.592 -4.630 26.241 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.112 -2.751 27.015 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.254 -2.338 25.544 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.303 -3.007 24.210 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.152 -3.297 25.715 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.925 -0.900 26.324 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.032 -0.597 24.847 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.683 -1.855 24.468 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.867 1.188 24.555 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.105 2.067 23.653 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.233 -0.707 23.323 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.989 1.005 22.964 1.00 0.00 H new ATOM 686 N ASP A 44 -10.620 -5.832 25.839 1.00 0.00 N ATOM 687 CA ASP A 44 -11.698 -6.696 26.368 1.00 0.00 C ATOM 688 C ASP A 44 -11.185 -8.102 26.712 1.00 0.00 C ATOM 689 O ASP A 44 -11.708 -8.758 27.621 1.00 0.00 O ATOM 690 CB ASP A 44 -12.847 -6.812 25.323 1.00 0.00 C ATOM 691 CG ASP A 44 -13.401 -5.445 24.877 1.00 0.00 C ATOM 692 OD1 ASP A 44 -12.755 -4.782 24.031 1.00 0.00 O ATOM 693 OD2 ASP A 44 -14.465 -5.019 25.377 1.00 0.00 O ATOM 0 H ASP A 44 -10.756 -5.581 24.860 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.068 -6.234 27.283 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.482 -7.352 24.449 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.657 -7.404 25.748 1.00 0.00 H new ATOM 698 N GLY A 45 -10.143 -8.536 25.990 1.00 0.00 N ATOM 699 CA GLY A 45 -9.655 -9.916 26.048 1.00 0.00 C ATOM 700 C GLY A 45 -10.013 -10.691 24.792 1.00 0.00 C ATOM 701 O GLY A 45 -9.570 -11.827 24.608 1.00 0.00 O ATOM 0 H GLY A 45 -9.617 -7.940 25.351 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.573 -9.914 26.179 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.080 -10.416 26.918 1.00 0.00 H new ATOM 705 N ARG A 46 -10.804 -10.058 23.906 1.00 0.00 N ATOM 706 CA ARG A 46 -11.237 -10.662 22.638 1.00 0.00 C ATOM 707 C ARG A 46 -10.202 -10.381 21.562 1.00 0.00 C ATOM 708 O ARG A 46 -9.359 -9.504 21.724 1.00 0.00 O ATOM 709 CB ARG A 46 -12.627 -10.127 22.200 1.00 0.00 C ATOM 710 CG ARG A 46 -13.764 -10.374 23.215 1.00 0.00 C ATOM 711 CD ARG A 46 -13.862 -11.852 23.620 1.00 0.00 C ATOM 712 NE ARG A 46 -15.018 -12.115 24.496 1.00 0.00 N ATOM 713 CZ ARG A 46 -15.174 -13.196 25.270 1.00 0.00 C ATOM 714 NH1 ARG A 46 -14.219 -14.110 25.371 1.00 0.00 N ATOM 715 NH2 ARG A 46 -16.285 -13.346 25.966 1.00 0.00 N ATOM 0 H ARG A 46 -11.160 -9.113 24.052 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.329 -11.738 22.784 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.548 -9.055 22.018 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.898 -10.592 21.252 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.596 -9.765 24.103 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.712 -10.053 22.783 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.940 -12.468 22.724 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.946 -12.148 24.132 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.760 -11.416 24.514 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.347 -13.996 24.854 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.356 -14.927 25.966 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -17.019 -12.640 25.913 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.409 -14.168 26.557 1.00 0.00 H new ATOM 729 N GLU A 47 -10.287 -11.123 20.458 1.00 0.00 N ATOM 730 CA GLU A 47 -9.329 -11.043 19.353 1.00 0.00 C ATOM 731 C GLU A 47 -10.060 -11.150 18.018 1.00 0.00 C ATOM 732 O GLU A 47 -11.210 -11.582 17.960 1.00 0.00 O ATOM 733 CB GLU A 47 -8.204 -12.123 19.486 1.00 0.00 C ATOM 734 CG GLU A 47 -7.269 -11.891 20.694 1.00 0.00 C ATOM 735 CD GLU A 47 -6.072 -12.847 20.767 1.00 0.00 C ATOM 736 OE1 GLU A 47 -6.235 -13.962 21.295 1.00 0.00 O ATOM 737 OE2 GLU A 47 -4.955 -12.473 20.335 1.00 0.00 O ATOM 0 H GLU A 47 -11.030 -11.804 20.303 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.835 -10.072 19.395 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.664 -13.107 19.576 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.609 -12.132 18.572 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.898 -10.867 20.658 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.851 -11.987 21.611 1.00 0.00 H new ATOM 744 N ASN A 48 -9.387 -10.704 16.951 1.00 0.00 N ATOM 745 CA ASN A 48 -9.944 -10.656 15.588 1.00 0.00 C ATOM 746 C ASN A 48 -8.866 -11.155 14.618 1.00 0.00 C ATOM 747 O ASN A 48 -7.742 -10.669 14.667 1.00 0.00 O ATOM 748 CB ASN A 48 -10.355 -9.199 15.195 1.00 0.00 C ATOM 749 CG ASN A 48 -11.181 -8.451 16.253 1.00 0.00 C ATOM 750 OD1 ASN A 48 -12.403 -8.482 16.262 1.00 0.00 O ATOM 751 ND2 ASN A 48 -10.504 -7.778 17.161 1.00 0.00 N ATOM 0 H ASN A 48 -8.428 -10.361 17.007 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.836 -11.281 15.543 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.451 -8.625 14.989 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.927 -9.236 14.268 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.999 -7.268 17.892 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.484 -7.767 17.133 1.00 0.00 H new ATOM 758 N LEU A 49 -9.199 -12.093 13.721 1.00 0.00 N ATOM 759 CA LEU A 49 -8.223 -12.671 12.772 1.00 0.00 C ATOM 760 C LEU A 49 -8.390 -11.994 11.416 1.00 0.00 C ATOM 761 O LEU A 49 -9.507 -11.676 11.013 1.00 0.00 O ATOM 762 CB LEU A 49 -8.404 -14.217 12.632 1.00 0.00 C ATOM 763 CG LEU A 49 -7.101 -15.081 12.679 1.00 0.00 C ATOM 764 CD1 LEU A 49 -7.423 -16.577 12.573 1.00 0.00 C ATOM 765 CD2 LEU A 49 -6.065 -14.673 11.608 1.00 0.00 C ATOM 0 H LEU A 49 -10.141 -12.473 13.628 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.218 -12.496 13.155 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.067 -14.556 13.428 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.912 -14.417 11.688 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.645 -14.886 13.650 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.498 -17.152 12.609 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.065 -16.871 13.404 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.936 -16.773 11.631 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.184 -15.309 11.693 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.502 -14.789 10.616 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.777 -13.633 11.758 1.00 0.00 H new ATOM 777 N TYR A 50 -7.265 -11.762 10.741 1.00 0.00 N ATOM 778 CA TYR A 50 -7.206 -11.108 9.436 1.00 0.00 C ATOM 779 C TYR A 50 -6.354 -11.958 8.500 1.00 0.00 C ATOM 780 O TYR A 50 -5.288 -12.424 8.896 1.00 0.00 O ATOM 781 CB TYR A 50 -6.610 -9.683 9.566 1.00 0.00 C ATOM 782 CG TYR A 50 -7.280 -8.857 10.669 1.00 0.00 C ATOM 783 CD1 TYR A 50 -8.620 -8.486 10.567 1.00 0.00 C ATOM 784 CD2 TYR A 50 -6.589 -8.490 11.820 1.00 0.00 C ATOM 785 CE1 TYR A 50 -9.240 -7.776 11.567 1.00 0.00 C ATOM 786 CE2 TYR A 50 -7.207 -7.778 12.815 1.00 0.00 C ATOM 787 CZ TYR A 50 -8.533 -7.422 12.684 1.00 0.00 C ATOM 788 OH TYR A 50 -9.154 -6.701 13.677 1.00 0.00 O ATOM 0 H TYR A 50 -6.347 -12.031 11.096 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.213 -11.012 9.031 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.542 -9.758 9.773 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -6.715 -9.162 8.614 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -9.181 -8.762 9.686 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.552 -8.770 11.931 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -10.280 -7.499 11.472 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.656 -7.496 13.700 1.00 0.00 H new ATOM 0 HH TYR A 50 -10.108 -6.923 13.694 1.00 0.00 H new ATOM 798 N GLY A 51 -6.841 -12.170 7.274 1.00 0.00 N ATOM 799 CA GLY A 51 -6.117 -12.927 6.253 1.00 0.00 C ATOM 800 C GLY A 51 -5.888 -12.090 5.013 1.00 0.00 C ATOM 801 O GLY A 51 -6.531 -11.047 4.862 1.00 0.00 O ATOM 0 H GLY A 51 -7.748 -11.821 6.963 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.159 -13.259 6.653 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.681 -13.822 5.992 1.00 0.00 H new ATOM 805 N PRO A 52 -4.991 -12.515 4.079 1.00 0.00 N ATOM 806 CA PRO A 52 -4.721 -11.754 2.849 1.00 0.00 C ATOM 807 C PRO A 52 -5.887 -11.926 1.852 1.00 0.00 C ATOM 808 O PRO A 52 -6.029 -12.983 1.223 1.00 0.00 O ATOM 809 CB PRO A 52 -3.391 -12.371 2.352 1.00 0.00 C ATOM 810 CG PRO A 52 -3.442 -13.800 2.818 1.00 0.00 C ATOM 811 CD PRO A 52 -4.208 -13.786 4.130 1.00 0.00 C ATOM 0 HA PRO A 52 -4.637 -10.676 2.986 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.306 -12.310 1.267 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.530 -11.848 2.769 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.939 -14.433 2.083 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.438 -14.201 2.957 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.861 -14.654 4.220 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.533 -13.805 4.986 1.00 0.00 H new ATOM 819 N ALA A 53 -6.739 -10.884 1.749 1.00 0.00 N ATOM 820 CA ALA A 53 -7.993 -10.940 0.967 1.00 0.00 C ATOM 821 C ALA A 53 -7.719 -11.229 -0.521 1.00 0.00 C ATOM 822 O ALA A 53 -6.651 -10.841 -1.036 1.00 0.00 O ATOM 823 CB ALA A 53 -8.795 -9.633 1.117 1.00 0.00 C ATOM 0 H ALA A 53 -6.579 -9.985 2.203 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.587 -11.762 1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.712 -9.700 0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.044 -9.477 2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.196 -8.796 0.758 1.00 0.00 H new ATOM 1022 N GLU A 67 -1.057 -2.922 -4.121 1.00 0.00 N ATOM 1023 CA GLU A 67 -1.055 -3.438 -2.743 1.00 0.00 C ATOM 1024 C GLU A 67 -2.316 -4.288 -2.527 1.00 0.00 C ATOM 1025 O GLU A 67 -3.437 -3.822 -2.800 1.00 0.00 O ATOM 1026 CB GLU A 67 -1.028 -2.286 -1.697 1.00 0.00 C ATOM 1027 CG GLU A 67 -1.115 -2.770 -0.226 1.00 0.00 C ATOM 1028 CD GLU A 67 -1.232 -1.629 0.794 1.00 0.00 C ATOM 1029 OE1 GLU A 67 -2.258 -0.920 0.777 1.00 0.00 O ATOM 1030 OE2 GLU A 67 -0.301 -1.413 1.606 1.00 0.00 O ATOM 0 HA GLU A 67 -0.156 -4.038 -2.605 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.110 -1.712 -1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.858 -1.608 -1.896 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.976 -3.429 -0.120 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.230 -3.362 0.005 1.00 0.00 H new ATOM 1037 N ARG A 68 -2.132 -5.531 -2.057 1.00 0.00 N ATOM 1038 CA ARG A 68 -3.255 -6.416 -1.733 1.00 0.00 C ATOM 1039 C ARG A 68 -3.782 -6.099 -0.324 1.00 0.00 C ATOM 1040 O ARG A 68 -3.002 -5.896 0.618 1.00 0.00 O ATOM 1041 CB ARG A 68 -2.868 -7.913 -1.866 1.00 0.00 C ATOM 1042 CG ARG A 68 -1.783 -8.428 -0.887 1.00 0.00 C ATOM 1043 CD ARG A 68 -1.559 -9.943 -1.033 1.00 0.00 C ATOM 1044 NE ARG A 68 -2.830 -10.687 -0.908 1.00 0.00 N ATOM 1045 CZ ARG A 68 -3.039 -11.951 -1.304 1.00 0.00 C ATOM 1046 NH1 ARG A 68 -2.051 -12.690 -1.803 1.00 0.00 N ATOM 1047 NH2 ARG A 68 -4.247 -12.472 -1.180 1.00 0.00 N ATOM 0 H ARG A 68 -1.214 -5.944 -1.894 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.051 -6.233 -2.455 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.767 -8.513 -1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.522 -8.088 -2.885 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.846 -7.902 -1.072 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.079 -8.201 0.137 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.105 -10.154 -2.001 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.858 -10.285 -0.271 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.617 -10.196 -0.483 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.114 -12.297 -1.890 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.231 -13.650 -2.098 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.005 -11.914 -0.787 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.421 -13.432 -1.477 1.00 0.00 H new ATOM 1061 N ARG A 69 -5.115 -6.039 -0.201 1.00 0.00 N ATOM 1062 CA ARG A 69 -5.796 -5.692 1.047 1.00 0.00 C ATOM 1063 C ARG A 69 -6.095 -6.972 1.848 1.00 0.00 C ATOM 1064 O ARG A 69 -5.987 -8.085 1.319 1.00 0.00 O ATOM 1065 CB ARG A 69 -7.087 -4.908 0.696 1.00 0.00 C ATOM 1066 CG ARG A 69 -7.772 -4.206 1.885 1.00 0.00 C ATOM 1067 CD ARG A 69 -8.902 -3.257 1.450 1.00 0.00 C ATOM 1068 NE ARG A 69 -8.407 -2.173 0.586 1.00 0.00 N ATOM 1069 CZ ARG A 69 -9.069 -1.045 0.300 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -10.254 -0.790 0.853 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -8.528 -0.166 -0.532 1.00 0.00 N ATOM 0 H ARG A 69 -5.753 -6.232 -0.973 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.166 -5.060 1.674 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.844 -4.158 -0.057 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.799 -5.597 0.242 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.177 -4.959 2.561 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.027 -3.642 2.446 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.667 -3.823 0.919 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.377 -2.829 2.333 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.483 -2.291 0.171 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.668 -1.458 1.503 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.747 0.073 0.626 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.615 -0.352 -0.948 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.024 0.696 -0.756 1.00 0.00 H new ATOM 1085 N PHE A 70 -6.423 -6.810 3.137 1.00 0.00 N ATOM 1086 CA PHE A 70 -6.767 -7.925 4.038 1.00 0.00 C ATOM 1087 C PHE A 70 -8.280 -8.019 4.234 1.00 0.00 C ATOM 1088 O PHE A 70 -9.030 -7.177 3.750 1.00 0.00 O ATOM 1089 CB PHE A 70 -6.029 -7.763 5.397 1.00 0.00 C ATOM 1090 CG PHE A 70 -4.566 -8.187 5.375 1.00 0.00 C ATOM 1091 CD1 PHE A 70 -3.727 -7.810 4.330 1.00 0.00 C ATOM 1092 CD2 PHE A 70 -4.036 -8.972 6.398 1.00 0.00 C ATOM 1093 CE1 PHE A 70 -2.413 -8.203 4.303 1.00 0.00 C ATOM 1094 CE2 PHE A 70 -2.719 -9.358 6.371 1.00 0.00 C ATOM 1095 CZ PHE A 70 -1.909 -8.973 5.323 1.00 0.00 C ATOM 0 H PHE A 70 -6.458 -5.897 3.590 1.00 0.00 H new ATOM 0 HA PHE A 70 -6.438 -8.858 3.581 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.087 -6.719 5.706 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.553 -8.349 6.153 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.116 -7.199 3.529 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.667 -9.279 7.219 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.776 -7.908 3.482 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.317 -9.963 7.170 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.873 -9.278 5.304 1.00 0.00 H new ATOM 1105 N GLU A 71 -8.705 -9.083 4.918 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.114 -9.362 5.241 1.00 0.00 C ATOM 1107 C GLU A 71 -10.206 -9.784 6.706 1.00 0.00 C ATOM 1108 O GLU A 71 -9.271 -10.390 7.231 1.00 0.00 O ATOM 1109 CB GLU A 71 -10.666 -10.496 4.331 1.00 0.00 C ATOM 1110 CG GLU A 71 -9.905 -11.838 4.446 1.00 0.00 C ATOM 1111 CD GLU A 71 -10.540 -12.975 3.637 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -11.594 -13.496 4.063 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -10.005 -13.342 2.579 1.00 0.00 O ATOM 0 H GLU A 71 -8.067 -9.795 5.273 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.710 -8.465 5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.714 -10.665 4.578 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.632 -10.161 3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.878 -11.694 4.110 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.859 -12.131 5.495 1.00 0.00 H new ATOM 1120 N THR A 72 -11.320 -9.458 7.362 1.00 0.00 N ATOM 1121 CA THR A 72 -11.574 -9.892 8.735 1.00 0.00 C ATOM 1122 C THR A 72 -12.111 -11.344 8.713 1.00 0.00 C ATOM 1123 O THR A 72 -13.282 -11.573 8.379 1.00 0.00 O ATOM 1124 CB THR A 72 -12.582 -8.927 9.443 1.00 0.00 C ATOM 1125 OG1 THR A 72 -12.150 -7.566 9.251 1.00 0.00 O ATOM 1126 CG2 THR A 72 -12.702 -9.210 10.949 1.00 0.00 C ATOM 0 H THR A 72 -12.066 -8.890 6.960 1.00 0.00 H new ATOM 0 HA THR A 72 -10.645 -9.864 9.304 1.00 0.00 H new ATOM 0 HB THR A 72 -13.563 -9.090 8.997 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.139 -7.102 10.114 1.00 0.00 H new ATOM 0 HG21 THR A 72 -13.413 -8.514 11.394 1.00 0.00 H new ATOM 0 HG22 THR A 72 -13.050 -10.232 11.101 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.728 -9.085 11.421 1.00 0.00 H new ATOM 1134 N ARG A 73 -11.211 -12.318 8.994 1.00 0.00 N ATOM 1135 CA ARG A 73 -11.553 -13.753 9.067 1.00 0.00 C ATOM 1136 C ARG A 73 -12.470 -14.005 10.272 1.00 0.00 C ATOM 1137 O ARG A 73 -13.594 -14.486 10.124 1.00 0.00 O ATOM 1138 CB ARG A 73 -10.264 -14.630 9.190 1.00 0.00 C ATOM 1139 CG ARG A 73 -9.264 -14.507 8.018 1.00 0.00 C ATOM 1140 CD ARG A 73 -9.857 -14.971 6.675 1.00 0.00 C ATOM 1141 NE ARG A 73 -10.282 -16.387 6.689 1.00 0.00 N ATOM 1142 CZ ARG A 73 -10.904 -17.014 5.678 1.00 0.00 C ATOM 1143 NH1 ARG A 73 -11.232 -16.368 4.564 1.00 0.00 N ATOM 1144 NH2 ARG A 73 -11.210 -18.296 5.792 1.00 0.00 N ATOM 0 H ARG A 73 -10.226 -12.126 9.176 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.070 -14.031 8.149 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -9.750 -14.363 10.113 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.563 -15.674 9.282 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.942 -13.469 7.929 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.376 -15.098 8.241 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.712 -14.343 6.426 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.116 -14.828 5.888 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.088 -16.929 7.531 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.011 -15.377 4.465 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.704 -16.863 3.808 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -10.973 -18.803 6.645 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.683 -18.777 5.027 1.00 0.00 H new ATOM 1158 N LEU A 74 -11.962 -13.669 11.468 1.00 0.00 N ATOM 1159 CA LEU A 74 -12.701 -13.803 12.738 1.00 0.00 C ATOM 1160 C LEU A 74 -12.781 -12.431 13.421 1.00 0.00 C ATOM 1161 O LEU A 74 -11.956 -11.559 13.138 1.00 0.00 O ATOM 1162 CB LEU A 74 -11.965 -14.817 13.651 1.00 0.00 C ATOM 1163 CG LEU A 74 -11.739 -16.242 13.045 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -10.826 -17.093 13.943 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -13.081 -16.960 12.782 1.00 0.00 C ATOM 0 H LEU A 74 -11.021 -13.294 11.584 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.712 -14.165 12.548 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.995 -14.399 13.918 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.532 -14.922 14.576 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.237 -16.113 12.086 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.689 -18.077 13.494 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.858 -16.603 14.046 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.283 -17.203 14.926 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.889 -17.947 12.361 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.627 -17.065 13.719 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.675 -16.375 12.080 1.00 0.00 H new ATOM 1177 N ALA A 75 -13.759 -12.250 14.325 1.00 0.00 N ATOM 1178 CA ALA A 75 -13.909 -11.000 15.093 1.00 0.00 C ATOM 1179 C ALA A 75 -14.630 -11.250 16.425 1.00 0.00 C ATOM 1180 O ALA A 75 -15.617 -11.995 16.466 1.00 0.00 O ATOM 1181 CB ALA A 75 -14.640 -9.924 14.271 1.00 0.00 C ATOM 0 H ALA A 75 -14.461 -12.957 14.543 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.908 -10.630 15.315 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -14.735 -9.015 14.865 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -14.072 -9.709 13.366 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -15.632 -10.285 13.999 1.00 0.00 H new ATOM 1187 N GLY A 76 -14.109 -10.627 17.508 1.00 0.00 N ATOM 1188 CA GLY A 76 -14.674 -10.762 18.860 1.00 0.00 C ATOM 1189 C GLY A 76 -14.546 -12.171 19.431 1.00 0.00 C ATOM 1190 O GLY A 76 -15.285 -12.557 20.341 1.00 0.00 O ATOM 0 H GLY A 76 -13.290 -10.021 17.464 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.173 -10.061 19.527 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.727 -10.482 18.836 1.00 0.00 H new ATOM 1194 N VAL A 77 -13.584 -12.922 18.896 1.00 0.00 N ATOM 1195 CA VAL A 77 -13.330 -14.327 19.255 1.00 0.00 C ATOM 1196 C VAL A 77 -12.210 -14.403 20.309 1.00 0.00 C ATOM 1197 O VAL A 77 -11.887 -13.399 20.938 1.00 0.00 O ATOM 1198 CB VAL A 77 -12.964 -15.174 17.974 1.00 0.00 C ATOM 1199 CG1 VAL A 77 -14.135 -15.194 16.959 1.00 0.00 C ATOM 1200 CG2 VAL A 77 -11.663 -14.668 17.308 1.00 0.00 C ATOM 0 H VAL A 77 -12.943 -12.568 18.186 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.238 -14.752 19.683 1.00 0.00 H new ATOM 0 HB VAL A 77 -12.788 -16.198 18.304 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -13.852 -15.785 16.088 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -15.015 -15.636 17.427 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -14.363 -14.175 16.647 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -11.444 -15.275 16.430 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.789 -13.628 17.007 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.838 -14.744 18.017 1.00 0.00 H new ATOM 1210 N GLU A 78 -11.659 -15.599 20.544 1.00 0.00 N ATOM 1211 CA GLU A 78 -10.487 -15.779 21.430 1.00 0.00 C ATOM 1212 C GLU A 78 -9.327 -16.442 20.671 1.00 0.00 C ATOM 1213 O GLU A 78 -9.495 -16.881 19.526 1.00 0.00 O ATOM 1214 CB GLU A 78 -10.884 -16.611 22.669 1.00 0.00 C ATOM 1215 CG GLU A 78 -11.415 -18.014 22.348 1.00 0.00 C ATOM 1216 CD GLU A 78 -11.723 -18.821 23.614 1.00 0.00 C ATOM 1217 OE1 GLU A 78 -12.804 -18.616 24.207 1.00 0.00 O ATOM 1218 OE2 GLU A 78 -10.869 -19.628 24.042 1.00 0.00 O ATOM 0 H GLU A 78 -12.004 -16.467 20.133 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.148 -14.799 21.765 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.016 -16.705 23.321 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -11.645 -16.067 23.228 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.319 -17.929 21.745 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.680 -18.550 21.748 1.00 0.00 H new ATOM 1225 N GLY A 79 -8.171 -16.552 21.360 1.00 0.00 N ATOM 1226 CA GLY A 79 -6.934 -17.103 20.793 1.00 0.00 C ATOM 1227 C GLY A 79 -7.031 -18.556 20.346 1.00 0.00 C ATOM 1228 O GLY A 79 -6.249 -18.995 19.493 1.00 0.00 O ATOM 0 H GLY A 79 -8.075 -16.257 22.332 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.639 -16.493 19.939 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.140 -17.018 21.535 1.00 0.00 H new ATOM 1232 N GLU A 80 -7.987 -19.299 20.930 1.00 0.00 N ATOM 1233 CA GLU A 80 -8.296 -20.678 20.512 1.00 0.00 C ATOM 1234 C GLU A 80 -8.810 -20.701 19.063 1.00 0.00 C ATOM 1235 O GLU A 80 -8.317 -21.473 18.238 1.00 0.00 O ATOM 1236 CB GLU A 80 -9.355 -21.311 21.447 1.00 0.00 C ATOM 1237 CG GLU A 80 -9.747 -22.760 21.073 1.00 0.00 C ATOM 1238 CD GLU A 80 -10.761 -23.397 22.033 1.00 0.00 C ATOM 1239 OE1 GLU A 80 -10.366 -23.768 23.159 1.00 0.00 O ATOM 1240 OE2 GLU A 80 -11.941 -23.551 21.665 1.00 0.00 O ATOM 0 H GLU A 80 -8.564 -18.963 21.701 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.376 -21.260 20.574 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.974 -21.302 22.468 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.251 -20.690 21.436 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.163 -22.765 20.065 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.847 -23.375 21.050 1.00 0.00 H new ATOM 1247 N GLU A 81 -9.786 -19.816 18.778 1.00 0.00 N ATOM 1248 CA GLU A 81 -10.395 -19.674 17.441 1.00 0.00 C ATOM 1249 C GLU A 81 -9.349 -19.224 16.412 1.00 0.00 C ATOM 1250 O GLU A 81 -9.325 -19.709 15.268 1.00 0.00 O ATOM 1251 CB GLU A 81 -11.558 -18.652 17.499 1.00 0.00 C ATOM 1252 CG GLU A 81 -12.679 -19.014 18.494 1.00 0.00 C ATOM 1253 CD GLU A 81 -13.332 -20.371 18.192 1.00 0.00 C ATOM 1254 OE1 GLU A 81 -14.045 -20.478 17.178 1.00 0.00 O ATOM 1255 OE2 GLU A 81 -13.124 -21.334 18.956 1.00 0.00 O ATOM 0 H GLU A 81 -10.175 -19.177 19.472 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.784 -20.644 17.132 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -11.154 -17.676 17.766 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -11.991 -18.556 16.503 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.270 -19.030 19.504 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.442 -18.236 18.472 1.00 0.00 H new ATOM 1262 N ILE A 82 -8.476 -18.304 16.858 1.00 0.00 N ATOM 1263 CA ILE A 82 -7.388 -17.754 16.044 1.00 0.00 C ATOM 1264 C ILE A 82 -6.436 -18.887 15.573 1.00 0.00 C ATOM 1265 O ILE A 82 -6.161 -19.033 14.376 1.00 0.00 O ATOM 1266 CB ILE A 82 -6.578 -16.660 16.845 1.00 0.00 C ATOM 1267 CG1 ILE A 82 -7.500 -15.509 17.380 1.00 0.00 C ATOM 1268 CG2 ILE A 82 -5.440 -16.080 15.989 1.00 0.00 C ATOM 1269 CD1 ILE A 82 -8.193 -14.681 16.316 1.00 0.00 C ATOM 0 H ILE A 82 -8.510 -17.921 17.803 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.830 -17.279 15.168 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.146 -17.161 17.711 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.260 -15.947 18.027 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.899 -14.843 17.999 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.898 -15.329 16.564 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.757 -16.879 15.702 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.857 -15.620 15.093 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.804 -13.915 16.792 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.446 -14.206 15.681 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -8.828 -15.326 15.709 1.00 0.00 H new ATOM 1281 N ALA A 83 -5.998 -19.713 16.538 1.00 0.00 N ATOM 1282 CA ALA A 83 -5.072 -20.842 16.294 1.00 0.00 C ATOM 1283 C ALA A 83 -5.760 -21.992 15.531 1.00 0.00 C ATOM 1284 O ALA A 83 -5.108 -22.736 14.783 1.00 0.00 O ATOM 1285 CB ALA A 83 -4.503 -21.343 17.625 1.00 0.00 C ATOM 0 H ALA A 83 -6.275 -19.619 17.515 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.257 -20.481 15.667 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.822 -22.174 17.440 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.963 -20.534 18.117 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.318 -21.678 18.266 1.00 0.00 H new ATOM 1291 N ALA A 84 -7.086 -22.108 15.722 1.00 0.00 N ATOM 1292 CA ALA A 84 -7.907 -23.153 15.084 1.00 0.00 C ATOM 1293 C ALA A 84 -7.981 -22.958 13.564 1.00 0.00 C ATOM 1294 O ALA A 84 -8.103 -23.931 12.825 1.00 0.00 O ATOM 1295 CB ALA A 84 -9.315 -23.172 15.685 1.00 0.00 C ATOM 0 H ALA A 84 -7.619 -21.480 16.323 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.428 -24.113 15.277 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.906 -23.950 15.202 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.252 -23.376 16.754 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.791 -22.204 15.528 1.00 0.00 H new ATOM 1301 N LEU A 85 -7.934 -21.692 13.105 1.00 0.00 N ATOM 1302 CA LEU A 85 -7.868 -21.389 11.667 1.00 0.00 C ATOM 1303 C LEU A 85 -6.430 -21.534 11.144 1.00 0.00 C ATOM 1304 O LEU A 85 -6.231 -21.993 10.018 1.00 0.00 O ATOM 1305 CB LEU A 85 -8.382 -19.972 11.335 1.00 0.00 C ATOM 1306 CG LEU A 85 -8.374 -19.632 9.792 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -9.780 -19.557 9.199 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -7.527 -18.388 9.475 1.00 0.00 C ATOM 0 H LEU A 85 -7.941 -20.869 13.707 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.519 -22.111 11.174 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.398 -19.867 11.715 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.768 -19.241 11.861 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.886 -20.470 9.294 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.715 -19.321 8.137 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.281 -20.517 9.327 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.349 -18.780 9.709 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.552 -18.194 8.403 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.930 -17.527 10.009 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.497 -18.559 9.789 1.00 0.00 H new ATOM 1320 N LEU A 86 -5.434 -21.119 11.962 1.00 0.00 N ATOM 1321 CA LEU A 86 -3.996 -21.228 11.602 1.00 0.00 C ATOM 1322 C LEU A 86 -3.626 -22.643 11.144 1.00 0.00 C ATOM 1323 O LEU A 86 -2.876 -22.802 10.178 1.00 0.00 O ATOM 1324 CB LEU A 86 -3.076 -20.832 12.782 1.00 0.00 C ATOM 1325 CG LEU A 86 -3.084 -19.336 13.201 1.00 0.00 C ATOM 1326 CD1 LEU A 86 -2.075 -19.088 14.346 1.00 0.00 C ATOM 1327 CD2 LEU A 86 -2.820 -18.413 11.985 1.00 0.00 C ATOM 0 H LEU A 86 -5.599 -20.704 12.879 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.842 -20.533 10.776 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.358 -21.430 13.649 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.054 -21.108 12.524 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.076 -19.088 13.577 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.094 -18.035 14.626 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.346 -19.698 15.208 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.073 -19.356 14.012 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.832 -17.372 12.309 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.847 -18.648 11.554 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.596 -18.568 11.235 1.00 0.00 H new ATOM 1339 N GLU A 87 -4.202 -23.655 11.822 1.00 0.00 N ATOM 1340 CA GLU A 87 -3.927 -25.072 11.524 1.00 0.00 C ATOM 1341 C GLU A 87 -4.544 -25.453 10.161 1.00 0.00 C ATOM 1342 O GLU A 87 -3.989 -26.284 9.425 1.00 0.00 O ATOM 1343 CB GLU A 87 -4.434 -25.991 12.685 1.00 0.00 C ATOM 1344 CG GLU A 87 -5.963 -26.284 12.722 1.00 0.00 C ATOM 1345 CD GLU A 87 -6.366 -27.607 12.036 1.00 0.00 C ATOM 1346 OE1 GLU A 87 -6.124 -28.681 12.615 1.00 0.00 O ATOM 1347 OE2 GLU A 87 -6.901 -27.585 10.911 1.00 0.00 O ATOM 0 H GLU A 87 -4.865 -23.514 12.584 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.850 -25.223 11.452 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.906 -26.942 12.623 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.152 -25.531 13.632 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.292 -26.310 13.761 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.492 -25.461 12.241 1.00 0.00 H new ATOM 1354 N ARG A 88 -5.689 -24.809 9.836 1.00 0.00 N ATOM 1355 CA ARG A 88 -6.434 -25.063 8.597 1.00 0.00 C ATOM 1356 C ARG A 88 -5.693 -24.464 7.392 1.00 0.00 C ATOM 1357 O ARG A 88 -5.599 -25.085 6.338 1.00 0.00 O ATOM 1358 CB ARG A 88 -7.861 -24.457 8.690 1.00 0.00 C ATOM 1359 CG ARG A 88 -8.722 -25.044 9.827 1.00 0.00 C ATOM 1360 CD ARG A 88 -10.109 -24.392 9.934 1.00 0.00 C ATOM 1361 NE ARG A 88 -10.897 -24.980 11.038 1.00 0.00 N ATOM 1362 CZ ARG A 88 -11.367 -24.310 12.105 1.00 0.00 C ATOM 1363 NH1 ARG A 88 -11.193 -22.994 12.224 1.00 0.00 N ATOM 1364 NH2 ARG A 88 -12.020 -24.962 13.048 1.00 0.00 N ATOM 0 H ARG A 88 -6.116 -24.099 10.431 1.00 0.00 H new ATOM 0 HA ARG A 88 -6.514 -26.142 8.462 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -7.778 -23.379 8.831 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -8.374 -24.616 7.741 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -8.843 -26.115 9.667 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -8.196 -24.921 10.773 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -9.997 -23.320 10.095 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -10.646 -24.519 8.994 1.00 0.00 H new ATOM 0 HE ARG A 88 -11.101 -25.978 10.986 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -10.696 -22.478 11.498 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -11.557 -22.503 13.041 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -12.166 -25.968 12.965 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -12.379 -24.460 13.860 1.00 0.00 H new ATOM 1378 N GLU A 89 -5.160 -23.248 7.585 1.00 0.00 N ATOM 1379 CA GLU A 89 -4.513 -22.466 6.521 1.00 0.00 C ATOM 1380 C GLU A 89 -3.109 -22.973 6.222 1.00 0.00 C ATOM 1381 O GLU A 89 -2.722 -23.030 5.066 1.00 0.00 O ATOM 1382 CB GLU A 89 -4.468 -20.972 6.905 1.00 0.00 C ATOM 1383 CG GLU A 89 -5.844 -20.348 7.141 1.00 0.00 C ATOM 1384 CD GLU A 89 -6.820 -20.524 5.964 1.00 0.00 C ATOM 1385 OE1 GLU A 89 -6.542 -19.998 4.861 1.00 0.00 O ATOM 1386 OE2 GLU A 89 -7.855 -21.204 6.132 1.00 0.00 O ATOM 0 H GLU A 89 -5.166 -22.777 8.490 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.109 -22.586 5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.869 -20.858 7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.961 -20.419 6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.284 -20.791 8.034 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.720 -19.284 7.341 1.00 0.00 H new ATOM 1393 N ARG A 90 -2.350 -23.318 7.279 1.00 0.00 N ATOM 1394 CA ARG A 90 -0.978 -23.880 7.135 1.00 0.00 C ATOM 1395 C ARG A 90 -1.008 -25.273 6.485 1.00 0.00 C ATOM 1396 O ARG A 90 -0.017 -25.705 5.886 1.00 0.00 O ATOM 1397 CB ARG A 90 -0.189 -23.885 8.473 1.00 0.00 C ATOM 1398 CG ARG A 90 -0.637 -24.932 9.514 1.00 0.00 C ATOM 1399 CD ARG A 90 0.073 -24.738 10.867 1.00 0.00 C ATOM 1400 NE ARG A 90 -0.343 -25.741 11.865 1.00 0.00 N ATOM 1401 CZ ARG A 90 -0.547 -25.515 13.170 1.00 0.00 C ATOM 1402 NH1 ARG A 90 -0.455 -24.290 13.676 1.00 0.00 N ATOM 1403 NH2 ARG A 90 -0.870 -26.526 13.957 1.00 0.00 N ATOM 0 H ARG A 90 -2.657 -23.220 8.247 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.436 -23.213 6.464 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.865 -24.050 8.250 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.269 -22.896 8.923 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.715 -24.863 9.657 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.429 -25.933 9.135 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.151 -24.799 10.721 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.141 -23.739 11.248 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.489 -26.694 11.531 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.226 -23.503 13.069 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.614 -24.136 14.672 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.961 -27.465 13.569 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.028 -26.367 14.952 1.00 0.00 H new ATOM 1417 N ARG A 91 -2.145 -25.978 6.646 1.00 0.00 N ATOM 1418 CA ARG A 91 -2.401 -27.263 5.970 1.00 0.00 C ATOM 1419 C ARG A 91 -2.257 -27.123 4.427 1.00 0.00 C ATOM 1420 O ARG A 91 -1.632 -27.964 3.766 1.00 0.00 O ATOM 1421 CB ARG A 91 -3.825 -27.754 6.334 1.00 0.00 C ATOM 1422 CG ARG A 91 -4.194 -29.166 5.829 1.00 0.00 C ATOM 1423 CD ARG A 91 -5.688 -29.507 6.025 1.00 0.00 C ATOM 1424 NE ARG A 91 -6.125 -29.407 7.435 1.00 0.00 N ATOM 1425 CZ ARG A 91 -7.157 -30.075 7.983 1.00 0.00 C ATOM 1426 NH1 ARG A 91 -7.851 -30.961 7.282 1.00 0.00 N ATOM 1427 NH2 ARG A 91 -7.479 -29.862 9.246 1.00 0.00 N ATOM 0 H ARG A 91 -2.910 -25.672 7.248 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.663 -27.991 6.307 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.929 -27.737 7.419 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.548 -27.044 5.933 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.945 -29.244 4.771 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.587 -29.904 6.354 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.291 -28.834 5.415 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.874 -30.518 5.664 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.600 -28.779 8.043 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.606 -31.147 6.309 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.630 -31.457 7.715 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.946 -29.193 9.802 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.260 -30.366 9.665 1.00 0.00 H new ATOM 1441 N PHE A 92 -2.818 -26.029 3.887 1.00 0.00 N ATOM 1442 CA PHE A 92 -2.837 -25.742 2.442 1.00 0.00 C ATOM 1443 C PHE A 92 -1.590 -24.937 2.004 1.00 0.00 C ATOM 1444 O PHE A 92 -0.946 -25.262 1.002 1.00 0.00 O ATOM 1445 CB PHE A 92 -4.142 -24.976 2.106 1.00 0.00 C ATOM 1446 CG PHE A 92 -5.401 -25.826 2.276 1.00 0.00 C ATOM 1447 CD1 PHE A 92 -5.783 -26.737 1.293 1.00 0.00 C ATOM 1448 CD2 PHE A 92 -6.186 -25.729 3.419 1.00 0.00 C ATOM 1449 CE1 PHE A 92 -6.909 -27.520 1.452 1.00 0.00 C ATOM 1450 CE2 PHE A 92 -7.315 -26.510 3.577 1.00 0.00 C ATOM 1451 CZ PHE A 92 -7.675 -27.406 2.593 1.00 0.00 C ATOM 0 H PHE A 92 -3.276 -25.310 4.447 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.810 -26.682 1.890 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.215 -24.098 2.747 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.090 -24.617 1.078 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.190 -26.832 0.395 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.909 -25.032 4.196 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.190 -28.223 0.682 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -7.915 -26.419 4.470 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.556 -28.018 2.716 1.00 0.00 H new ATOM 1461 N ASP A 93 -1.268 -23.897 2.777 1.00 0.00 N ATOM 1462 CA ASP A 93 -0.123 -22.996 2.547 1.00 0.00 C ATOM 1463 C ASP A 93 0.565 -22.738 3.890 1.00 0.00 C ATOM 1464 O ASP A 93 0.112 -21.900 4.686 1.00 0.00 O ATOM 1465 CB ASP A 93 -0.576 -21.652 1.909 1.00 0.00 C ATOM 1466 CG ASP A 93 0.580 -20.637 1.716 1.00 0.00 C ATOM 1467 OD1 ASP A 93 1.363 -20.804 0.759 1.00 0.00 O ATOM 1468 OD2 ASP A 93 0.707 -19.671 2.511 1.00 0.00 O ATOM 0 H ASP A 93 -1.808 -23.647 3.605 1.00 0.00 H new ATOM 0 HA ASP A 93 0.569 -23.468 1.850 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.036 -21.855 0.942 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -1.343 -21.201 2.538 1.00 0.00 H new ATOM 1473 N SER A 94 1.633 -23.499 4.162 1.00 0.00 N ATOM 1474 CA SER A 94 2.414 -23.360 5.395 1.00 0.00 C ATOM 1475 C SER A 94 3.362 -22.149 5.320 1.00 0.00 C ATOM 1476 O SER A 94 4.026 -21.839 6.289 1.00 0.00 O ATOM 1477 CB SER A 94 3.195 -24.662 5.695 1.00 0.00 C ATOM 1478 OG SER A 94 3.754 -24.641 7.003 1.00 0.00 O ATOM 0 H SER A 94 1.978 -24.226 3.535 1.00 0.00 H new ATOM 0 HA SER A 94 1.720 -23.183 6.217 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.529 -25.519 5.596 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.990 -24.789 4.960 1.00 0.00 H new ATOM 0 HG SER A 94 4.051 -23.732 7.217 1.00 0.00 H new ATOM 1484 N ASP A 95 3.396 -21.445 4.171 1.00 0.00 N ATOM 1485 CA ASP A 95 4.240 -20.242 3.980 1.00 0.00 C ATOM 1486 C ASP A 95 3.572 -18.970 4.538 1.00 0.00 C ATOM 1487 O ASP A 95 4.021 -17.856 4.245 1.00 0.00 O ATOM 1488 CB ASP A 95 4.564 -20.068 2.480 1.00 0.00 C ATOM 1489 CG ASP A 95 5.438 -21.204 1.931 1.00 0.00 C ATOM 1490 OD1 ASP A 95 4.891 -22.269 1.562 1.00 0.00 O ATOM 1491 OD2 ASP A 95 6.682 -21.053 1.897 1.00 0.00 O ATOM 0 H ASP A 95 2.842 -21.691 3.350 1.00 0.00 H new ATOM 0 HA ASP A 95 5.164 -20.389 4.539 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.634 -20.024 1.914 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.074 -19.117 2.330 1.00 0.00 H new ATOM 1496 N LEU A 96 2.521 -19.141 5.365 1.00 0.00 N ATOM 1497 CA LEU A 96 1.838 -18.019 6.020 1.00 0.00 C ATOM 1498 C LEU A 96 2.710 -17.452 7.164 1.00 0.00 C ATOM 1499 O LEU A 96 3.578 -18.153 7.707 1.00 0.00 O ATOM 1500 CB LEU A 96 0.418 -18.452 6.515 1.00 0.00 C ATOM 1501 CG LEU A 96 0.311 -19.233 7.880 1.00 0.00 C ATOM 1502 CD1 LEU A 96 0.105 -18.280 9.079 1.00 0.00 C ATOM 1503 CD2 LEU A 96 -0.808 -20.284 7.850 1.00 0.00 C ATOM 0 H LEU A 96 2.128 -20.054 5.593 1.00 0.00 H new ATOM 0 HA LEU A 96 1.693 -17.218 5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.194 -17.554 6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.030 -19.074 5.740 1.00 0.00 H new ATOM 0 HG LEU A 96 1.264 -19.746 8.012 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.037 -18.861 9.998 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.948 -17.592 9.146 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.815 -17.713 8.939 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.848 -20.800 8.809 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.763 -19.793 7.661 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.608 -21.006 7.058 1.00 0.00 H new ATOM 1515 N TRP A 97 2.468 -16.178 7.509 1.00 0.00 N ATOM 1516 CA TRP A 97 3.170 -15.466 8.590 1.00 0.00 C ATOM 1517 C TRP A 97 2.160 -15.105 9.685 1.00 0.00 C ATOM 1518 O TRP A 97 1.133 -14.492 9.398 1.00 0.00 O ATOM 1519 CB TRP A 97 3.824 -14.163 8.053 1.00 0.00 C ATOM 1520 CG TRP A 97 4.896 -14.354 6.993 1.00 0.00 C ATOM 1521 CD1 TRP A 97 4.795 -15.036 5.814 1.00 0.00 C ATOM 1522 CD2 TRP A 97 6.200 -13.783 7.007 1.00 0.00 C ATOM 1523 NE1 TRP A 97 5.977 -14.974 5.136 1.00 0.00 N ATOM 1524 CE2 TRP A 97 6.853 -14.198 5.835 1.00 0.00 C ATOM 1525 CE3 TRP A 97 6.884 -12.976 7.913 1.00 0.00 C ATOM 1526 CZ2 TRP A 97 8.157 -13.832 5.543 1.00 0.00 C ATOM 1527 CZ3 TRP A 97 8.176 -12.601 7.626 1.00 0.00 C ATOM 1528 CH2 TRP A 97 8.803 -13.034 6.448 1.00 0.00 C ATOM 0 H TRP A 97 1.769 -15.604 7.038 1.00 0.00 H new ATOM 0 HA TRP A 97 3.952 -16.112 8.990 1.00 0.00 H new ATOM 0 HB2 TRP A 97 3.040 -13.528 7.641 1.00 0.00 H new ATOM 0 HB3 TRP A 97 4.262 -13.624 8.894 1.00 0.00 H new ATOM 0 HD1 TRP A 97 3.909 -15.549 5.469 1.00 0.00 H new ATOM 0 HE1 TRP A 97 6.174 -15.435 4.248 1.00 0.00 H new ATOM 0 HE3 TRP A 97 6.408 -12.650 8.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 8.644 -14.163 4.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 8.714 -11.966 8.315 1.00 0.00 H new ATOM 0 HH2 TRP A 97 9.820 -12.730 6.250 1.00 0.00 H new ATOM 1539 N VAL A 98 2.462 -15.461 10.931 1.00 0.00 N ATOM 1540 CA VAL A 98 1.605 -15.141 12.079 1.00 0.00 C ATOM 1541 C VAL A 98 2.144 -13.893 12.771 1.00 0.00 C ATOM 1542 O VAL A 98 3.272 -13.890 13.253 1.00 0.00 O ATOM 1543 CB VAL A 98 1.521 -16.344 13.083 1.00 0.00 C ATOM 1544 CG1 VAL A 98 0.825 -15.951 14.395 1.00 0.00 C ATOM 1545 CG2 VAL A 98 0.804 -17.547 12.429 1.00 0.00 C ATOM 0 H VAL A 98 3.306 -15.979 11.177 1.00 0.00 H new ATOM 0 HA VAL A 98 0.593 -14.950 11.722 1.00 0.00 H new ATOM 0 HB VAL A 98 2.543 -16.633 13.330 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.789 -16.814 15.060 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.381 -15.146 14.875 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.190 -15.614 14.182 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.755 -18.372 13.140 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.206 -17.256 12.141 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.357 -17.863 11.544 1.00 0.00 H new ATOM 1555 N VAL A 99 1.335 -12.825 12.778 1.00 0.00 N ATOM 1556 CA VAL A 99 1.668 -11.556 13.455 1.00 0.00 C ATOM 1557 C VAL A 99 0.588 -11.266 14.503 1.00 0.00 C ATOM 1558 O VAL A 99 -0.598 -11.303 14.189 1.00 0.00 O ATOM 1559 CB VAL A 99 1.747 -10.339 12.441 1.00 0.00 C ATOM 1560 CG1 VAL A 99 2.512 -9.127 13.039 1.00 0.00 C ATOM 1561 CG2 VAL A 99 2.352 -10.772 11.085 1.00 0.00 C ATOM 0 H VAL A 99 0.427 -12.813 12.314 1.00 0.00 H new ATOM 0 HA VAL A 99 2.649 -11.664 13.917 1.00 0.00 H new ATOM 0 HB VAL A 99 0.723 -10.011 12.260 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.540 -8.318 12.309 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.003 -8.784 13.940 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.530 -9.426 13.288 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.392 -9.914 10.414 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.360 -11.156 11.242 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.732 -11.551 10.642 1.00 0.00 H new ATOM 1571 N GLU A 100 0.988 -11.034 15.748 1.00 0.00 N ATOM 1572 CA GLU A 100 0.087 -10.509 16.782 1.00 0.00 C ATOM 1573 C GLU A 100 0.206 -8.994 16.814 1.00 0.00 C ATOM 1574 O GLU A 100 1.283 -8.458 16.568 1.00 0.00 O ATOM 1575 CB GLU A 100 0.419 -11.121 18.161 1.00 0.00 C ATOM 1576 CG GLU A 100 1.861 -10.900 18.642 1.00 0.00 C ATOM 1577 CD GLU A 100 2.132 -11.565 19.990 1.00 0.00 C ATOM 1578 OE1 GLU A 100 2.486 -12.764 20.008 1.00 0.00 O ATOM 1579 OE2 GLU A 100 1.946 -10.909 21.036 1.00 0.00 O ATOM 0 H GLU A 100 1.940 -11.202 16.074 1.00 0.00 H new ATOM 0 HA GLU A 100 -0.941 -10.784 16.544 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -0.263 -10.702 18.901 1.00 0.00 H new ATOM 0 HB3 GLU A 100 0.226 -12.193 18.121 1.00 0.00 H new ATOM 0 HG2 GLU A 100 2.554 -11.295 17.899 1.00 0.00 H new ATOM 0 HG3 GLU A 100 2.055 -9.830 18.722 1.00 0.00 H new ATOM 1586 N ILE A 101 -0.918 -8.314 17.059 1.00 0.00 N ATOM 1587 CA ILE A 101 -0.964 -6.862 17.265 1.00 0.00 C ATOM 1588 C ILE A 101 -1.919 -6.579 18.438 1.00 0.00 C ATOM 1589 O ILE A 101 -3.028 -7.106 18.471 1.00 0.00 O ATOM 1590 CB ILE A 101 -1.392 -6.052 15.962 1.00 0.00 C ATOM 1591 CG1 ILE A 101 -2.789 -6.483 15.431 1.00 0.00 C ATOM 1592 CG2 ILE A 101 -0.333 -6.190 14.834 1.00 0.00 C ATOM 1593 CD1 ILE A 101 -3.315 -5.654 14.280 1.00 0.00 C ATOM 0 H ILE A 101 -1.833 -8.761 17.121 1.00 0.00 H new ATOM 0 HA ILE A 101 0.043 -6.513 17.495 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.455 -5.006 16.261 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.736 -7.525 15.115 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.505 -6.435 16.252 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.657 -5.625 13.960 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.624 -5.801 15.183 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.222 -7.241 14.566 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -4.293 -6.029 13.979 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -3.406 -4.614 14.593 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.626 -5.721 13.438 1.00 0.00 H new ATOM 1605 N GLU A 102 -1.471 -5.786 19.422 1.00 0.00 N ATOM 1606 CA GLU A 102 -2.273 -5.473 20.622 1.00 0.00 C ATOM 1607 C GLU A 102 -2.721 -4.009 20.510 1.00 0.00 C ATOM 1608 O GLU A 102 -1.928 -3.088 20.740 1.00 0.00 O ATOM 1609 CB GLU A 102 -1.454 -5.739 21.929 1.00 0.00 C ATOM 1610 CG GLU A 102 -2.293 -6.038 23.205 1.00 0.00 C ATOM 1611 CD GLU A 102 -3.270 -4.917 23.643 1.00 0.00 C ATOM 1612 OE1 GLU A 102 -2.814 -3.776 23.883 1.00 0.00 O ATOM 1613 OE2 GLU A 102 -4.488 -5.175 23.766 1.00 0.00 O ATOM 0 H GLU A 102 -0.551 -5.345 19.413 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.149 -6.120 20.679 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.785 -6.581 21.751 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.826 -4.870 22.125 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.867 -6.949 23.035 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.609 -6.241 24.029 1.00 0.00 H new ATOM 1620 N THR A 103 -3.987 -3.824 20.134 1.00 0.00 N ATOM 1621 CA THR A 103 -4.592 -2.508 19.894 1.00 0.00 C ATOM 1622 C THR A 103 -6.111 -2.676 19.767 1.00 0.00 C ATOM 1623 O THR A 103 -6.595 -3.760 19.421 1.00 0.00 O ATOM 1624 CB THR A 103 -4.004 -1.813 18.613 1.00 0.00 C ATOM 1625 OG1 THR A 103 -4.632 -0.534 18.398 1.00 0.00 O ATOM 1626 CG2 THR A 103 -4.157 -2.690 17.354 1.00 0.00 C ATOM 0 H THR A 103 -4.635 -4.597 19.984 1.00 0.00 H new ATOM 0 HA THR A 103 -4.357 -1.860 20.738 1.00 0.00 H new ATOM 0 HB THR A 103 -2.938 -1.668 18.790 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.959 0.116 18.107 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.737 -2.169 16.494 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.629 -3.632 17.501 1.00 0.00 H new ATOM 0 HG23 THR A 103 -5.214 -2.890 17.176 1.00 0.00 H new ATOM 1634 N ASP A 104 -6.860 -1.605 20.068 1.00 0.00 N ATOM 1635 CA ASP A 104 -8.336 -1.608 20.001 1.00 0.00 C ATOM 1636 C ASP A 104 -8.813 -1.180 18.596 1.00 0.00 C ATOM 1637 O ASP A 104 -9.822 -1.680 18.086 1.00 0.00 O ATOM 1638 CB ASP A 104 -8.933 -0.678 21.097 1.00 0.00 C ATOM 1639 CG ASP A 104 -8.661 0.823 20.861 1.00 0.00 C ATOM 1640 OD1 ASP A 104 -7.473 1.223 20.802 1.00 0.00 O ATOM 1641 OD2 ASP A 104 -9.626 1.603 20.730 1.00 0.00 O ATOM 0 H ASP A 104 -6.465 -0.713 20.364 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.690 -2.622 20.186 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -10.010 -0.838 21.148 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.522 -0.964 22.065 1.00 0.00 H new ATOM 1646 N GLU A 105 -8.047 -0.263 17.970 1.00 0.00 N ATOM 1647 CA GLU A 105 -8.375 0.326 16.658 1.00 0.00 C ATOM 1648 C GLU A 105 -7.532 -0.344 15.551 1.00 0.00 C ATOM 1649 O GLU A 105 -6.314 -0.194 15.508 1.00 0.00 O ATOM 1650 CB GLU A 105 -8.168 1.873 16.702 1.00 0.00 C ATOM 1651 CG GLU A 105 -6.790 2.354 17.213 1.00 0.00 C ATOM 1652 CD GLU A 105 -6.642 3.890 17.229 1.00 0.00 C ATOM 1653 OE1 GLU A 105 -6.983 4.549 16.220 1.00 0.00 O ATOM 1654 OE2 GLU A 105 -6.172 4.455 18.240 1.00 0.00 O ATOM 0 H GLU A 105 -7.176 0.092 18.365 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.424 0.142 16.424 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.321 2.270 15.698 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.941 2.306 17.337 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.631 1.971 18.221 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -6.009 1.928 16.583 1.00 0.00 H new ATOM 1661 N ILE A 106 -8.195 -1.142 14.692 1.00 0.00 N ATOM 1662 CA ILE A 106 -7.532 -1.847 13.572 1.00 0.00 C ATOM 1663 C ILE A 106 -7.437 -0.945 12.319 1.00 0.00 C ATOM 1664 O ILE A 106 -6.433 -0.980 11.593 1.00 0.00 O ATOM 1665 CB ILE A 106 -8.277 -3.197 13.219 1.00 0.00 C ATOM 1666 CG1 ILE A 106 -7.519 -3.991 12.110 1.00 0.00 C ATOM 1667 CG2 ILE A 106 -9.758 -2.965 12.825 1.00 0.00 C ATOM 1668 CD1 ILE A 106 -6.150 -4.479 12.524 1.00 0.00 C ATOM 0 H ILE A 106 -9.198 -1.317 14.752 1.00 0.00 H new ATOM 0 HA ILE A 106 -6.521 -2.090 13.898 1.00 0.00 H new ATOM 0 HB ILE A 106 -8.279 -3.801 14.126 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.124 -4.848 11.815 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.415 -3.356 11.230 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.226 -3.921 12.592 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.286 -2.495 13.655 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -9.805 -2.315 11.951 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.691 -5.021 11.697 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.525 -3.627 12.791 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.245 -5.142 13.384 1.00 0.00 H new ATOM 1680 N GLY A 107 -8.454 -0.082 12.124 1.00 0.00 N ATOM 1681 CA GLY A 107 -8.648 0.650 10.862 1.00 0.00 C ATOM 1682 C GLY A 107 -7.655 1.789 10.602 1.00 0.00 C ATOM 1683 O GLY A 107 -7.803 2.513 9.613 1.00 0.00 O ATOM 0 H GLY A 107 -9.158 0.124 12.833 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.585 -0.060 10.037 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.657 1.061 10.852 1.00 0.00 H new ATOM 1687 N THR A 108 -6.642 1.949 11.469 1.00 0.00 N ATOM 1688 CA THR A 108 -5.597 2.982 11.311 1.00 0.00 C ATOM 1689 C THR A 108 -4.204 2.353 11.083 1.00 0.00 C ATOM 1690 O THR A 108 -3.245 3.059 10.748 1.00 0.00 O ATOM 1691 CB THR A 108 -5.564 3.907 12.569 1.00 0.00 C ATOM 1692 OG1 THR A 108 -4.714 5.045 12.339 1.00 0.00 O ATOM 1693 CG2 THR A 108 -5.087 3.154 13.829 1.00 0.00 C ATOM 0 H THR A 108 -6.522 1.369 12.299 1.00 0.00 H new ATOM 0 HA THR A 108 -5.845 3.574 10.430 1.00 0.00 H new ATOM 0 HB THR A 108 -6.586 4.244 12.742 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.977 4.788 11.746 1.00 0.00 H new ATOM 0 HG21 THR A 108 -5.080 3.836 14.679 1.00 0.00 H new ATOM 0 HG22 THR A 108 -5.763 2.324 14.035 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.081 2.769 13.664 1.00 0.00 H new ATOM 1701 N LEU A 109 -4.105 1.019 11.259 1.00 0.00 N ATOM 1702 CA LEU A 109 -2.814 0.293 11.253 1.00 0.00 C ATOM 1703 C LEU A 109 -2.879 -1.009 10.424 1.00 0.00 C ATOM 1704 O LEU A 109 -1.881 -1.735 10.327 1.00 0.00 O ATOM 1705 CB LEU A 109 -2.357 0.056 12.728 1.00 0.00 C ATOM 1706 CG LEU A 109 -3.462 -0.405 13.748 1.00 0.00 C ATOM 1707 CD1 LEU A 109 -3.741 -1.920 13.676 1.00 0.00 C ATOM 1708 CD2 LEU A 109 -3.114 0.028 15.190 1.00 0.00 C ATOM 0 H LEU A 109 -4.913 0.415 11.409 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.062 0.904 10.754 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.566 -0.694 12.722 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.916 0.981 13.100 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.383 0.099 13.455 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.511 -2.183 14.401 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.082 -2.180 12.674 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.827 -2.469 13.902 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.898 -0.306 15.869 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.164 -0.418 15.485 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.034 1.114 15.234 1.00 0.00 H new ATOM 1720 N LEU A 110 -4.057 -1.282 9.836 1.00 0.00 N ATOM 1721 CA LEU A 110 -4.267 -2.369 8.867 1.00 0.00 C ATOM 1722 C LEU A 110 -5.611 -2.144 8.155 1.00 0.00 C ATOM 1723 O LEU A 110 -6.642 -1.939 8.807 1.00 0.00 O ATOM 1724 CB LEU A 110 -4.235 -3.764 9.553 1.00 0.00 C ATOM 1725 CG LEU A 110 -4.516 -5.000 8.635 1.00 0.00 C ATOM 1726 CD1 LEU A 110 -3.530 -5.065 7.449 1.00 0.00 C ATOM 1727 CD2 LEU A 110 -4.512 -6.317 9.451 1.00 0.00 C ATOM 0 H LEU A 110 -4.903 -0.744 10.025 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.455 -2.355 8.140 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.255 -3.896 10.012 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -4.968 -3.764 10.360 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.514 -4.875 8.215 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.757 -5.936 6.835 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.625 -4.162 6.847 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.511 -5.143 7.827 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.710 -7.158 8.786 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.539 -6.449 9.923 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.285 -6.272 10.219 1.00 0.00 H new ATOM 1739 N THR A 111 -5.575 -2.177 6.816 1.00 0.00 N ATOM 1740 CA THR A 111 -6.746 -1.940 5.965 1.00 0.00 C ATOM 1741 C THR A 111 -7.424 -3.271 5.586 1.00 0.00 C ATOM 1742 O THR A 111 -6.751 -4.257 5.245 1.00 0.00 O ATOM 1743 CB THR A 111 -6.339 -1.149 4.688 1.00 0.00 C ATOM 1744 OG1 THR A 111 -5.687 0.071 5.079 1.00 0.00 O ATOM 1745 CG2 THR A 111 -7.553 -0.822 3.804 1.00 0.00 C ATOM 0 H THR A 111 -4.723 -2.371 6.289 1.00 0.00 H new ATOM 0 HA THR A 111 -7.463 -1.342 6.528 1.00 0.00 H new ATOM 0 HB THR A 111 -5.664 -1.774 4.104 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.426 0.574 4.279 1.00 0.00 H new ATOM 0 HG21 THR A 111 -7.224 -0.270 2.924 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.036 -1.748 3.492 1.00 0.00 H new ATOM 0 HG23 THR A 111 -8.262 -0.216 4.369 1.00 0.00 H new ATOM 1753 N LEU A 112 -8.770 -3.274 5.642 1.00 0.00 N ATOM 1754 CA LEU A 112 -9.610 -4.474 5.464 1.00 0.00 C ATOM 1755 C LEU A 112 -10.732 -4.201 4.449 1.00 0.00 C ATOM 1756 O LEU A 112 -11.206 -3.067 4.331 1.00 0.00 O ATOM 1757 CB LEU A 112 -10.201 -4.873 6.838 1.00 0.00 C ATOM 1758 CG LEU A 112 -9.131 -5.153 7.947 1.00 0.00 C ATOM 1759 CD1 LEU A 112 -9.734 -5.116 9.345 1.00 0.00 C ATOM 1760 CD2 LEU A 112 -8.393 -6.481 7.690 1.00 0.00 C ATOM 0 H LEU A 112 -9.313 -2.428 5.815 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.004 -5.293 5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.862 -4.076 7.181 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.816 -5.764 6.710 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.398 -4.348 7.894 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.956 -5.315 10.082 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.165 -4.132 9.529 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.513 -5.874 9.425 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.657 -6.647 8.477 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.111 -7.301 7.686 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.888 -6.436 6.725 1.00 0.00 H new ATOM 1772 N VAL A 113 -11.129 -5.246 3.703 1.00 0.00 N ATOM 1773 CA VAL A 113 -12.264 -5.189 2.758 1.00 0.00 C ATOM 1774 C VAL A 113 -13.601 -5.282 3.524 1.00 0.00 C ATOM 1775 O VAL A 113 -14.621 -4.762 3.073 1.00 0.00 O ATOM 1776 CB VAL A 113 -12.188 -6.333 1.658 1.00 0.00 C ATOM 1777 CG1 VAL A 113 -10.989 -6.120 0.702 1.00 0.00 C ATOM 1778 CG2 VAL A 113 -12.114 -7.742 2.298 1.00 0.00 C ATOM 0 H VAL A 113 -10.672 -6.158 3.736 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.205 -4.232 2.240 1.00 0.00 H new ATOM 0 HB VAL A 113 -13.109 -6.271 1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.967 -6.920 -0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.093 -5.160 0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.061 -6.129 1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -12.063 -8.496 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -11.225 -7.811 2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -13.002 -7.912 2.907 1.00 0.00 H new ATOM 1788 N ASP A 114 -13.556 -5.935 4.697 1.00 0.00 N ATOM 1789 CA ASP A 114 -14.734 -6.206 5.538 1.00 0.00 C ATOM 1790 C ASP A 114 -15.136 -4.955 6.350 1.00 0.00 C ATOM 1791 O ASP A 114 -16.279 -4.489 6.265 1.00 0.00 O ATOM 1792 CB ASP A 114 -14.417 -7.393 6.485 1.00 0.00 C ATOM 1793 CG ASP A 114 -15.571 -7.724 7.454 1.00 0.00 C ATOM 1794 OD1 ASP A 114 -16.470 -8.500 7.079 1.00 0.00 O ATOM 1795 OD2 ASP A 114 -15.582 -7.204 8.591 1.00 0.00 O ATOM 0 H ASP A 114 -12.688 -6.295 5.093 1.00 0.00 H new ATOM 0 HA ASP A 114 -15.577 -6.465 4.898 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -14.189 -8.275 5.887 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -13.522 -7.160 7.062 1.00 0.00 H new ATOM 1800 N GLN A 115 -14.182 -4.447 7.156 1.00 0.00 N ATOM 1801 CA GLN A 115 -14.407 -3.294 8.054 1.00 0.00 C ATOM 1802 C GLN A 115 -14.692 -1.997 7.251 1.00 0.00 C ATOM 1803 O GLN A 115 -14.168 -1.836 6.136 1.00 0.00 O ATOM 1804 CB GLN A 115 -13.183 -3.113 8.999 1.00 0.00 C ATOM 1805 CG GLN A 115 -13.018 -4.229 10.050 1.00 0.00 C ATOM 1806 CD GLN A 115 -14.168 -4.318 11.053 1.00 0.00 C ATOM 1807 OE1 GLN A 115 -14.153 -3.657 12.085 1.00 0.00 O ATOM 1808 NE2 GLN A 115 -15.165 -5.136 10.760 1.00 0.00 N ATOM 0 H GLN A 115 -13.235 -4.823 7.203 1.00 0.00 H new ATOM 0 HA GLN A 115 -15.290 -3.496 8.660 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -12.277 -3.063 8.395 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -13.275 -2.157 9.514 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -12.924 -5.186 9.536 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -12.088 -4.066 10.594 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -15.147 -5.672 9.892 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -15.952 -5.231 11.402 1.00 0.00 H new