USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 739 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 72 ASN : amide:sc= -5.05! C(o=-6.6!,f=-7.3!) USER MOD Set 1.2: A 87 GLN : amide:sc= -1.6 X(o=-6.6,f=-7) USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.22) USER MOD Single : A 23 LYS NZ :NH3+ 146:sc= 2.39 (180deg=1.1) USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= -0.04 (180deg=-0.263) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.406 X(o=-0.41,f=0) USER MOD Single : A 40 ASN : amide:sc= 0.378 K(o=0.38,f=-2!) USER MOD Single : A 46 LYS NZ :NH3+ 157:sc= 1.19 (180deg=0.803) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -1.05 K(o=-1.1,f=-0.015) USER MOD Single : A 51 LYS NZ :NH3+ 147:sc= 0.609 (180deg=-0.301) USER MOD Single : A 59 GLN : amide:sc= -3.24! K(o=-3.2!,f=-1.9) USER MOD Single : A 62 SER OG : rot 150:sc= 0 USER MOD Single : A 84 TYR OH : rot 98:sc= -0.844! USER MOD Single : A 85 GLN : amide:sc= -3.1! C(o=-3.1!,f=-1.2!) USER MOD Single : A 89 GLN : amide:sc= 0.213 X(o=0.21,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -44:sc= 0.0477 USER MOD ----------------------------------------------------------------- ATOM 48 N LEU A 5 16.298 -1.460 3.921 1.00 0.43 N ATOM 49 CA LEU A 5 15.195 -0.723 4.509 1.00 0.45 C ATOM 50 C LEU A 5 13.972 -1.624 4.653 1.00 0.37 C ATOM 51 O LEU A 5 13.677 -2.427 3.774 1.00 0.42 O ATOM 52 CB LEU A 5 14.883 0.514 3.650 1.00 0.52 C ATOM 53 CG LEU A 5 14.249 0.240 2.283 1.00 0.60 C ATOM 54 CD1 LEU A 5 12.744 0.416 2.355 1.00 1.28 C ATOM 55 CD2 LEU A 5 14.835 1.150 1.217 1.00 1.27 C ATOM 0 HA LEU A 5 15.475 -0.385 5.507 1.00 0.45 H new ATOM 0 HB2 LEU A 5 14.215 1.164 4.214 1.00 0.52 H new ATOM 0 HB3 LEU A 5 15.810 1.067 3.494 1.00 0.52 H new ATOM 0 HG LEU A 5 14.471 -0.791 2.008 1.00 0.60 H new ATOM 0 HD11 LEU A 5 12.307 0.218 1.376 1.00 1.28 H new ATOM 0 HD12 LEU A 5 12.331 -0.281 3.084 1.00 1.28 H new ATOM 0 HD13 LEU A 5 12.511 1.437 2.656 1.00 1.28 H new ATOM 0 HD21 LEU A 5 14.367 0.934 0.257 1.00 1.27 H new ATOM 0 HD22 LEU A 5 14.650 2.190 1.485 1.00 1.27 H new ATOM 0 HD23 LEU A 5 15.909 0.980 1.144 1.00 1.27 H new ATOM 67 N CYS A 6 13.283 -1.515 5.777 1.00 0.34 N ATOM 68 CA CYS A 6 12.058 -2.276 5.991 1.00 0.31 C ATOM 69 C CYS A 6 10.858 -1.336 5.961 1.00 0.24 C ATOM 70 O CYS A 6 10.863 -0.306 6.636 1.00 0.27 O ATOM 71 CB CYS A 6 12.096 -3.010 7.336 1.00 0.40 C ATOM 72 SG CYS A 6 13.644 -3.869 7.696 1.00 1.35 S ATOM 0 H CYS A 6 13.548 -0.910 6.554 1.00 0.34 H new ATOM 0 HA CYS A 6 11.971 -3.015 5.194 1.00 0.31 H new ATOM 0 HB2 CYS A 6 11.905 -2.289 8.131 1.00 0.40 H new ATOM 0 HB3 CYS A 6 11.282 -3.735 7.360 1.00 0.40 H new ATOM 0 HG CYS A 6 13.559 -4.449 8.856 1.00 1.35 H new ATOM 78 N VAL A 7 9.841 -1.683 5.184 1.00 0.24 N ATOM 79 CA VAL A 7 8.647 -0.853 5.077 1.00 0.25 C ATOM 80 C VAL A 7 7.432 -1.590 5.629 1.00 0.25 C ATOM 81 O VAL A 7 7.451 -2.816 5.766 1.00 0.31 O ATOM 82 CB VAL A 7 8.382 -0.420 3.618 1.00 0.28 C ATOM 83 CG1 VAL A 7 9.532 0.417 3.099 1.00 0.64 C ATOM 84 CG2 VAL A 7 8.151 -1.619 2.717 1.00 0.61 C ATOM 0 H VAL A 7 9.818 -2.532 4.619 1.00 0.24 H new ATOM 0 HA VAL A 7 8.821 0.045 5.669 1.00 0.25 H new ATOM 0 HB VAL A 7 7.474 0.183 3.609 1.00 0.28 H new ATOM 0 HG11 VAL A 7 9.330 0.714 2.070 1.00 0.64 H new ATOM 0 HG12 VAL A 7 9.643 1.307 3.719 1.00 0.64 H new ATOM 0 HG13 VAL A 7 10.452 -0.167 3.134 1.00 0.64 H new ATOM 0 HG21 VAL A 7 7.968 -1.278 1.698 1.00 0.61 H new ATOM 0 HG22 VAL A 7 9.032 -2.261 2.732 1.00 0.61 H new ATOM 0 HG23 VAL A 7 7.287 -2.180 3.073 1.00 0.61 H new ATOM 94 N LYS A 8 6.385 -0.846 5.958 1.00 0.26 N ATOM 95 CA LYS A 8 5.196 -1.438 6.549 1.00 0.28 C ATOM 96 C LYS A 8 3.976 -1.175 5.683 1.00 0.28 C ATOM 97 O LYS A 8 3.733 -0.045 5.269 1.00 0.38 O ATOM 98 CB LYS A 8 4.943 -0.874 7.950 1.00 0.35 C ATOM 99 CG LYS A 8 3.789 -1.556 8.674 1.00 0.61 C ATOM 100 CD LYS A 8 3.304 -0.756 9.874 1.00 0.86 C ATOM 101 CE LYS A 8 2.654 0.556 9.452 1.00 1.08 C ATOM 102 NZ LYS A 8 1.925 1.201 10.575 1.00 1.61 N ATOM 0 H LYS A 8 6.336 0.164 5.826 1.00 0.26 H new ATOM 0 HA LYS A 8 5.366 -2.512 6.619 1.00 0.28 H new ATOM 0 HB2 LYS A 8 5.850 -0.979 8.546 1.00 0.35 H new ATOM 0 HB3 LYS A 8 4.735 0.193 7.873 1.00 0.35 H new ATOM 0 HG2 LYS A 8 2.962 -1.701 7.979 1.00 0.61 H new ATOM 0 HG3 LYS A 8 4.105 -2.546 9.004 1.00 0.61 H new ATOM 0 HD2 LYS A 8 2.588 -1.350 10.442 1.00 0.86 H new ATOM 0 HD3 LYS A 8 4.144 -0.549 10.537 1.00 0.86 H new ATOM 0 HE2 LYS A 8 3.419 1.236 9.078 1.00 1.08 H new ATOM 0 HE3 LYS A 8 1.963 0.371 8.630 1.00 1.08 H new ATOM 0 HZ1 LYS A 8 1.584 2.137 10.276 1.00 1.61 H new ATOM 0 HZ2 LYS A 8 1.115 0.609 10.849 1.00 1.61 H new ATOM 0 HZ3 LYS A 8 2.565 1.309 11.388 1.00 1.61 H new ATOM 116 N VAL A 9 3.219 -2.222 5.417 1.00 0.25 N ATOM 117 CA VAL A 9 1.946 -2.096 4.728 1.00 0.26 C ATOM 118 C VAL A 9 0.821 -2.352 5.719 1.00 0.23 C ATOM 119 O VAL A 9 0.815 -3.379 6.392 1.00 0.27 O ATOM 120 CB VAL A 9 1.841 -3.094 3.554 1.00 0.30 C ATOM 121 CG1 VAL A 9 0.454 -3.054 2.929 1.00 0.89 C ATOM 122 CG2 VAL A 9 2.909 -2.803 2.510 1.00 0.77 C ATOM 0 H VAL A 9 3.466 -3.179 5.670 1.00 0.25 H new ATOM 0 HA VAL A 9 1.869 -1.088 4.319 1.00 0.26 H new ATOM 0 HB VAL A 9 2.005 -4.098 3.945 1.00 0.30 H new ATOM 0 HG11 VAL A 9 0.406 -3.766 2.105 1.00 0.89 H new ATOM 0 HG12 VAL A 9 -0.291 -3.317 3.680 1.00 0.89 H new ATOM 0 HG13 VAL A 9 0.253 -2.050 2.554 1.00 0.89 H new ATOM 0 HG21 VAL A 9 2.820 -3.516 1.690 1.00 0.77 H new ATOM 0 HG22 VAL A 9 2.777 -1.791 2.127 1.00 0.77 H new ATOM 0 HG23 VAL A 9 3.896 -2.893 2.964 1.00 0.77 H new ATOM 132 N GLU A 10 -0.107 -1.415 5.840 1.00 0.21 N ATOM 133 CA GLU A 10 -1.186 -1.558 6.804 1.00 0.23 C ATOM 134 C GLU A 10 -2.489 -0.976 6.264 1.00 0.25 C ATOM 135 O GLU A 10 -2.484 -0.110 5.383 1.00 0.26 O ATOM 136 CB GLU A 10 -0.801 -0.870 8.116 1.00 0.28 C ATOM 137 CG GLU A 10 -1.658 -1.269 9.306 1.00 0.37 C ATOM 138 CD GLU A 10 -1.250 -0.551 10.574 1.00 0.48 C ATOM 139 OE1 GLU A 10 -0.061 -0.628 10.952 1.00 0.99 O ATOM 140 OE2 GLU A 10 -2.109 0.110 11.191 1.00 1.08 O ATOM 0 H GLU A 10 -0.135 -0.557 5.289 1.00 0.21 H new ATOM 0 HA GLU A 10 -1.346 -2.621 6.987 1.00 0.23 H new ATOM 0 HB2 GLU A 10 0.241 -1.099 8.340 1.00 0.28 H new ATOM 0 HB3 GLU A 10 -0.868 0.209 7.980 1.00 0.28 H new ATOM 0 HG2 GLU A 10 -2.703 -1.050 9.088 1.00 0.37 H new ATOM 0 HG3 GLU A 10 -1.583 -2.345 9.460 1.00 0.37 H new ATOM 147 N PHE A 11 -3.600 -1.465 6.793 1.00 0.30 N ATOM 148 CA PHE A 11 -4.920 -0.969 6.432 1.00 0.34 C ATOM 149 C PHE A 11 -5.582 -0.354 7.652 1.00 0.34 C ATOM 150 O PHE A 11 -5.541 -0.932 8.740 1.00 0.74 O ATOM 151 CB PHE A 11 -5.768 -2.103 5.869 1.00 0.74 C ATOM 152 CG PHE A 11 -5.125 -2.765 4.690 1.00 2.12 C ATOM 153 CD1 PHE A 11 -5.071 -2.116 3.470 1.00 2.89 C ATOM 154 CD2 PHE A 11 -4.566 -4.025 4.801 1.00 2.77 C ATOM 155 CE1 PHE A 11 -4.471 -2.714 2.380 1.00 4.21 C ATOM 156 CE2 PHE A 11 -3.967 -4.629 3.717 1.00 4.09 C ATOM 157 CZ PHE A 11 -3.919 -3.974 2.505 1.00 4.80 C ATOM 0 H PHE A 11 -3.613 -2.216 7.484 1.00 0.30 H new ATOM 0 HA PHE A 11 -4.823 -0.203 5.663 1.00 0.34 H new ATOM 0 HB2 PHE A 11 -5.942 -2.845 6.649 1.00 0.74 H new ATOM 0 HB3 PHE A 11 -6.743 -1.713 5.577 1.00 0.74 H new ATOM 0 HD1 PHE A 11 -5.503 -1.131 3.369 1.00 2.89 H new ATOM 0 HD2 PHE A 11 -4.599 -4.542 5.749 1.00 2.77 H new ATOM 0 HE1 PHE A 11 -4.433 -2.198 1.432 1.00 4.21 H new ATOM 0 HE2 PHE A 11 -3.536 -5.614 3.817 1.00 4.09 H new ATOM 0 HZ PHE A 11 -3.450 -4.446 1.654 1.00 4.80 H new ATOM 167 N GLY A 12 -6.176 0.820 7.479 1.00 0.23 N ATOM 168 CA GLY A 12 -6.664 1.566 8.623 1.00 0.39 C ATOM 169 C GLY A 12 -8.037 2.188 8.430 1.00 0.28 C ATOM 170 O GLY A 12 -8.767 2.381 9.400 1.00 0.34 O ATOM 0 H GLY A 12 -6.328 1.266 6.574 1.00 0.23 H new ATOM 0 HA2 GLY A 12 -6.698 0.902 9.486 1.00 0.39 H new ATOM 0 HA3 GLY A 12 -5.951 2.356 8.857 1.00 0.39 H new ATOM 174 N GLY A 13 -8.397 2.511 7.191 1.00 0.24 N ATOM 175 CA GLY A 13 -9.664 3.192 6.945 1.00 0.26 C ATOM 176 C GLY A 13 -10.824 2.231 6.783 1.00 0.29 C ATOM 177 O GLY A 13 -11.740 2.492 6.011 1.00 0.45 O ATOM 0 H GLY A 13 -7.842 2.317 6.357 1.00 0.24 H new ATOM 0 HA2 GLY A 13 -9.873 3.871 7.772 1.00 0.26 H new ATOM 0 HA3 GLY A 13 -9.575 3.802 6.046 1.00 0.26 H new ATOM 181 N GLY A 14 -10.793 1.124 7.506 1.00 0.28 N ATOM 182 CA GLY A 14 -11.792 0.093 7.306 1.00 0.35 C ATOM 183 C GLY A 14 -11.502 -0.696 6.051 1.00 0.36 C ATOM 184 O GLY A 14 -12.341 -1.448 5.561 1.00 0.41 O ATOM 0 H GLY A 14 -10.099 0.920 8.225 1.00 0.28 H new ATOM 0 HA2 GLY A 14 -11.808 -0.576 8.166 1.00 0.35 H new ATOM 0 HA3 GLY A 14 -12.781 0.547 7.236 1.00 0.35 H new ATOM 188 N ALA A 15 -10.288 -0.525 5.546 1.00 0.35 N ATOM 189 CA ALA A 15 -9.854 -1.181 4.328 1.00 0.39 C ATOM 190 C ALA A 15 -9.652 -2.663 4.588 1.00 0.39 C ATOM 191 O ALA A 15 -9.934 -3.498 3.741 1.00 0.42 O ATOM 192 CB ALA A 15 -8.571 -0.537 3.818 1.00 0.44 C ATOM 0 H ALA A 15 -9.579 0.073 5.971 1.00 0.35 H new ATOM 0 HA ALA A 15 -10.620 -1.066 3.561 1.00 0.39 H new ATOM 0 HB1 ALA A 15 -8.252 -1.036 2.903 1.00 0.44 H new ATOM 0 HB2 ALA A 15 -8.750 0.518 3.612 1.00 0.44 H new ATOM 0 HB3 ALA A 15 -7.791 -0.632 4.574 1.00 0.44 H new ATOM 198 N GLU A 16 -9.204 -2.967 5.795 1.00 0.38 N ATOM 199 CA GLU A 16 -8.933 -4.335 6.225 1.00 0.38 C ATOM 200 C GLU A 16 -10.161 -5.223 6.114 1.00 0.36 C ATOM 201 O GLU A 16 -10.046 -6.434 5.918 1.00 0.37 O ATOM 202 CB GLU A 16 -8.475 -4.316 7.666 1.00 0.45 C ATOM 203 CG GLU A 16 -9.435 -3.555 8.550 1.00 0.57 C ATOM 204 CD GLU A 16 -8.952 -2.160 8.889 1.00 1.19 C ATOM 205 OE1 GLU A 16 -8.826 -1.330 7.962 1.00 1.60 O ATOM 206 OE2 GLU A 16 -8.700 -1.888 10.080 1.00 1.54 O ATOM 0 H GLU A 16 -9.016 -2.267 6.513 1.00 0.38 H new ATOM 0 HA GLU A 16 -8.162 -4.743 5.572 1.00 0.38 H new ATOM 0 HB2 GLU A 16 -8.379 -5.339 8.030 1.00 0.45 H new ATOM 0 HB3 GLU A 16 -7.486 -3.861 7.727 1.00 0.45 H new ATOM 0 HG2 GLU A 16 -10.402 -3.487 8.052 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -9.590 -4.114 9.473 1.00 0.57 H new ATOM 213 N LEU A 17 -11.330 -4.622 6.265 1.00 0.35 N ATOM 214 CA LEU A 17 -12.588 -5.345 6.153 1.00 0.37 C ATOM 215 C LEU A 17 -12.724 -5.990 4.770 1.00 0.36 C ATOM 216 O LEU A 17 -13.481 -6.941 4.585 1.00 0.41 O ATOM 217 CB LEU A 17 -13.766 -4.406 6.415 1.00 0.39 C ATOM 218 CG LEU A 17 -13.756 -3.716 7.781 1.00 0.41 C ATOM 219 CD1 LEU A 17 -14.940 -2.773 7.910 1.00 0.88 C ATOM 220 CD2 LEU A 17 -13.772 -4.744 8.901 1.00 0.83 C ATOM 0 H LEU A 17 -11.435 -3.628 6.467 1.00 0.35 H new ATOM 0 HA LEU A 17 -12.594 -6.136 6.903 1.00 0.37 H new ATOM 0 HB2 LEU A 17 -13.780 -3.641 5.639 1.00 0.39 H new ATOM 0 HB3 LEU A 17 -14.691 -4.974 6.319 1.00 0.39 H new ATOM 0 HG LEU A 17 -12.839 -3.133 7.863 1.00 0.41 H new ATOM 0 HD11 LEU A 17 -14.917 -2.291 8.887 1.00 0.88 H new ATOM 0 HD12 LEU A 17 -14.887 -2.014 7.130 1.00 0.88 H new ATOM 0 HD13 LEU A 17 -15.867 -3.337 7.805 1.00 0.88 H new ATOM 0 HD21 LEU A 17 -13.765 -4.233 9.864 1.00 0.83 H new ATOM 0 HD22 LEU A 17 -14.671 -5.355 8.821 1.00 0.83 H new ATOM 0 HD23 LEU A 17 -12.892 -5.382 8.822 1.00 0.83 H new ATOM 232 N LEU A 18 -11.959 -5.475 3.813 1.00 0.35 N ATOM 233 CA LEU A 18 -11.937 -6.011 2.456 1.00 0.39 C ATOM 234 C LEU A 18 -11.066 -7.259 2.397 1.00 0.42 C ATOM 235 O LEU A 18 -11.205 -8.097 1.502 1.00 0.49 O ATOM 236 CB LEU A 18 -11.372 -4.962 1.492 1.00 0.38 C ATOM 237 CG LEU A 18 -12.195 -3.677 1.356 1.00 0.42 C ATOM 238 CD1 LEU A 18 -11.363 -2.579 0.716 1.00 0.47 C ATOM 239 CD2 LEU A 18 -13.442 -3.932 0.527 1.00 0.49 C ATOM 0 H LEU A 18 -11.339 -4.678 3.955 1.00 0.35 H new ATOM 0 HA LEU A 18 -12.956 -6.267 2.167 1.00 0.39 H new ATOM 0 HB2 LEU A 18 -10.368 -4.696 1.821 1.00 0.38 H new ATOM 0 HB3 LEU A 18 -11.275 -5.416 0.506 1.00 0.38 H new ATOM 0 HG LEU A 18 -12.495 -3.355 2.353 1.00 0.42 H new ATOM 0 HD11 LEU A 18 -11.963 -1.673 0.627 1.00 0.47 H new ATOM 0 HD12 LEU A 18 -10.490 -2.376 1.336 1.00 0.47 H new ATOM 0 HD13 LEU A 18 -11.039 -2.899 -0.274 1.00 0.47 H new ATOM 0 HD21 LEU A 18 -14.016 -3.009 0.440 1.00 0.49 H new ATOM 0 HD22 LEU A 18 -13.154 -4.276 -0.467 1.00 0.49 H new ATOM 0 HD23 LEU A 18 -14.052 -4.694 1.012 1.00 0.49 H new ATOM 251 N PHE A 19 -10.165 -7.374 3.366 1.00 0.39 N ATOM 252 CA PHE A 19 -9.157 -8.421 3.364 1.00 0.47 C ATOM 253 C PHE A 19 -9.403 -9.428 4.481 1.00 0.60 C ATOM 254 O PHE A 19 -8.521 -10.223 4.807 1.00 0.97 O ATOM 255 CB PHE A 19 -7.778 -7.788 3.529 1.00 0.45 C ATOM 256 CG PHE A 19 -7.533 -6.666 2.569 1.00 0.43 C ATOM 257 CD1 PHE A 19 -7.072 -6.918 1.291 1.00 0.42 C ATOM 258 CD2 PHE A 19 -7.757 -5.360 2.949 1.00 0.71 C ATOM 259 CE1 PHE A 19 -6.839 -5.885 0.410 1.00 0.52 C ATOM 260 CE2 PHE A 19 -7.528 -4.324 2.074 1.00 0.75 C ATOM 261 CZ PHE A 19 -7.091 -4.593 0.788 1.00 0.59 C ATOM 0 H PHE A 19 -10.115 -6.747 4.169 1.00 0.39 H new ATOM 0 HA PHE A 19 -9.212 -8.955 2.415 1.00 0.47 H new ATOM 0 HB2 PHE A 19 -7.674 -7.416 4.548 1.00 0.45 H new ATOM 0 HB3 PHE A 19 -7.014 -8.553 3.389 1.00 0.45 H new ATOM 0 HD1 PHE A 19 -6.892 -7.936 0.979 1.00 0.42 H new ATOM 0 HD2 PHE A 19 -8.116 -5.148 3.945 1.00 0.71 H new ATOM 0 HE1 PHE A 19 -6.458 -6.094 -0.579 1.00 0.52 H new ATOM 0 HE2 PHE A 19 -7.689 -3.304 2.389 1.00 0.75 H new ATOM 0 HZ PHE A 19 -6.949 -3.786 0.085 1.00 0.59 H new ATOM 271 N ASP A 20 -10.608 -9.389 5.053 1.00 0.55 N ATOM 272 CA ASP A 20 -11.007 -10.307 6.128 1.00 0.69 C ATOM 273 C ASP A 20 -10.320 -9.936 7.450 1.00 0.72 C ATOM 274 O ASP A 20 -10.130 -10.768 8.337 1.00 1.07 O ATOM 275 CB ASP A 20 -10.706 -11.761 5.723 1.00 0.80 C ATOM 276 CG ASP A 20 -11.224 -12.791 6.707 1.00 1.16 C ATOM 277 OD1 ASP A 20 -12.390 -12.666 7.138 1.00 1.55 O ATOM 278 OD2 ASP A 20 -10.462 -13.705 7.077 1.00 1.28 O ATOM 0 H ASP A 20 -11.334 -8.724 4.787 1.00 0.55 H new ATOM 0 HA ASP A 20 -12.082 -10.215 6.285 1.00 0.69 H new ATOM 0 HB2 ASP A 20 -11.146 -11.954 4.744 1.00 0.80 H new ATOM 0 HB3 ASP A 20 -9.628 -11.883 5.618 1.00 0.80 H new ATOM 283 N GLY A 21 -9.958 -8.666 7.580 1.00 0.57 N ATOM 284 CA GLY A 21 -9.438 -8.171 8.841 1.00 0.59 C ATOM 285 C GLY A 21 -7.928 -8.041 8.862 1.00 0.59 C ATOM 286 O GLY A 21 -7.345 -7.738 9.903 1.00 0.79 O ATOM 0 H GLY A 21 -10.015 -7.970 6.836 1.00 0.57 H new ATOM 0 HA2 GLY A 21 -9.882 -7.198 9.051 1.00 0.59 H new ATOM 0 HA3 GLY A 21 -9.748 -8.842 9.642 1.00 0.59 H new ATOM 290 N VAL A 22 -7.294 -8.271 7.722 1.00 0.51 N ATOM 291 CA VAL A 22 -5.846 -8.131 7.612 1.00 0.53 C ATOM 292 C VAL A 22 -5.457 -6.658 7.604 1.00 0.45 C ATOM 293 O VAL A 22 -5.951 -5.887 6.787 1.00 0.47 O ATOM 294 CB VAL A 22 -5.305 -8.810 6.338 1.00 0.68 C ATOM 295 CG1 VAL A 22 -3.797 -8.646 6.238 1.00 1.02 C ATOM 296 CG2 VAL A 22 -5.683 -10.280 6.321 1.00 1.41 C ATOM 0 H VAL A 22 -7.757 -8.555 6.859 1.00 0.51 H new ATOM 0 HA VAL A 22 -5.404 -8.624 8.478 1.00 0.53 H new ATOM 0 HB VAL A 22 -5.758 -8.325 5.473 1.00 0.68 H new ATOM 0 HG11 VAL A 22 -3.437 -9.133 5.332 1.00 1.02 H new ATOM 0 HG12 VAL A 22 -3.548 -7.585 6.204 1.00 1.02 H new ATOM 0 HG13 VAL A 22 -3.323 -9.102 7.107 1.00 1.02 H new ATOM 0 HG21 VAL A 22 -5.294 -10.745 5.415 1.00 1.41 H new ATOM 0 HG22 VAL A 22 -5.258 -10.775 7.194 1.00 1.41 H new ATOM 0 HG23 VAL A 22 -6.769 -10.377 6.341 1.00 1.41 H new ATOM 306 N LYS A 23 -4.580 -6.272 8.525 1.00 0.48 N ATOM 307 CA LYS A 23 -4.169 -4.879 8.648 1.00 0.52 C ATOM 308 C LYS A 23 -2.673 -4.715 8.395 1.00 0.40 C ATOM 309 O LYS A 23 -2.256 -4.359 7.297 1.00 0.37 O ATOM 310 CB LYS A 23 -4.515 -4.330 10.038 1.00 0.75 C ATOM 311 CG LYS A 23 -6.006 -4.255 10.324 1.00 0.85 C ATOM 312 CD LYS A 23 -6.278 -3.805 11.755 1.00 1.06 C ATOM 313 CE LYS A 23 -5.661 -2.444 12.052 1.00 1.11 C ATOM 314 NZ LYS A 23 -6.313 -1.347 11.287 1.00 2.07 N ATOM 0 H LYS A 23 -4.141 -6.903 9.196 1.00 0.48 H new ATOM 0 HA LYS A 23 -4.714 -4.314 7.892 1.00 0.52 H new ATOM 0 HB2 LYS A 23 -4.043 -4.959 10.793 1.00 0.75 H new ATOM 0 HB3 LYS A 23 -4.086 -3.333 10.140 1.00 0.75 H new ATOM 0 HG2 LYS A 23 -6.477 -3.561 9.628 1.00 0.85 H new ATOM 0 HG3 LYS A 23 -6.459 -5.232 10.156 1.00 0.85 H new ATOM 0 HD2 LYS A 23 -7.354 -3.760 11.922 1.00 1.06 H new ATOM 0 HD3 LYS A 23 -5.878 -4.544 12.450 1.00 1.06 H new ATOM 0 HE2 LYS A 23 -5.741 -2.237 13.119 1.00 1.11 H new ATOM 0 HE3 LYS A 23 -4.598 -2.469 11.811 1.00 1.11 H new ATOM 0 HZ1 LYS A 23 -6.320 -0.480 11.861 1.00 2.07 H new ATOM 0 HZ2 LYS A 23 -5.785 -1.176 10.408 1.00 2.07 H new ATOM 0 HZ3 LYS A 23 -7.290 -1.618 11.057 1.00 2.07 H new ATOM 328 N LYS A 24 -1.875 -4.976 9.424 1.00 0.38 N ATOM 329 CA LYS A 24 -0.437 -4.761 9.367 1.00 0.33 C ATOM 330 C LYS A 24 0.296 -5.946 8.748 1.00 0.34 C ATOM 331 O LYS A 24 0.113 -7.095 9.151 1.00 0.47 O ATOM 332 CB LYS A 24 0.102 -4.486 10.772 1.00 0.43 C ATOM 333 CG LYS A 24 1.611 -4.314 10.824 1.00 0.49 C ATOM 334 CD LYS A 24 2.096 -4.072 12.244 1.00 0.66 C ATOM 335 CE LYS A 24 3.614 -4.107 12.329 1.00 1.04 C ATOM 336 NZ LYS A 24 4.157 -5.463 12.037 1.00 1.59 N ATOM 0 H LYS A 24 -2.206 -5.341 10.317 1.00 0.38 H new ATOM 0 HA LYS A 24 -0.257 -3.897 8.727 1.00 0.33 H new ATOM 0 HB2 LYS A 24 -0.371 -3.585 11.163 1.00 0.43 H new ATOM 0 HB3 LYS A 24 -0.184 -5.308 11.429 1.00 0.43 H new ATOM 0 HG2 LYS A 24 2.094 -5.204 10.420 1.00 0.49 H new ATOM 0 HG3 LYS A 24 1.905 -3.477 10.191 1.00 0.49 H new ATOM 0 HD2 LYS A 24 1.733 -3.105 12.593 1.00 0.66 H new ATOM 0 HD3 LYS A 24 1.676 -4.829 12.907 1.00 0.66 H new ATOM 0 HE2 LYS A 24 4.033 -3.389 11.624 1.00 1.04 H new ATOM 0 HE3 LYS A 24 3.929 -3.797 13.325 1.00 1.04 H new ATOM 0 HZ1 LYS A 24 5.138 -5.525 12.378 1.00 1.59 H new ATOM 0 HZ2 LYS A 24 3.577 -6.180 12.518 1.00 1.59 H new ATOM 0 HZ3 LYS A 24 4.136 -5.632 11.011 1.00 1.59 H new ATOM 350 N HIS A 25 1.121 -5.637 7.760 1.00 0.29 N ATOM 351 CA HIS A 25 1.984 -6.609 7.112 1.00 0.34 C ATOM 352 C HIS A 25 3.328 -5.961 6.785 1.00 0.34 C ATOM 353 O HIS A 25 3.395 -5.028 5.983 1.00 0.43 O ATOM 354 CB HIS A 25 1.314 -7.132 5.832 1.00 0.42 C ATOM 355 CG HIS A 25 2.213 -7.952 4.949 1.00 0.69 C ATOM 356 ND1 HIS A 25 2.512 -9.275 5.194 1.00 1.46 N ATOM 357 CD2 HIS A 25 2.887 -7.621 3.821 1.00 1.39 C ATOM 358 CE1 HIS A 25 3.324 -9.722 4.253 1.00 1.58 C ATOM 359 NE2 HIS A 25 3.567 -8.739 3.410 1.00 1.44 N ATOM 0 H HIS A 25 1.210 -4.694 7.382 1.00 0.29 H new ATOM 0 HA HIS A 25 2.152 -7.451 7.784 1.00 0.34 H new ATOM 0 HB2 HIS A 25 0.450 -7.735 6.110 1.00 0.42 H new ATOM 0 HB3 HIS A 25 0.940 -6.283 5.260 1.00 0.42 H new ATOM 0 HD2 HIS A 25 2.888 -6.656 3.336 1.00 1.39 H new ATOM 0 HE1 HIS A 25 3.722 -10.724 4.186 1.00 1.58 H new ATOM 0 HE2 HIS A 25 4.164 -8.800 2.585 1.00 1.44 H new ATOM 368 N GLN A 26 4.390 -6.445 7.410 1.00 0.36 N ATOM 369 CA GLN A 26 5.726 -5.943 7.123 1.00 0.38 C ATOM 370 C GLN A 26 6.255 -6.587 5.851 1.00 0.33 C ATOM 371 O GLN A 26 6.028 -7.771 5.606 1.00 0.47 O ATOM 372 CB GLN A 26 6.696 -6.229 8.281 1.00 0.54 C ATOM 373 CG GLN A 26 8.093 -5.651 8.053 1.00 0.67 C ATOM 374 CD GLN A 26 9.142 -6.176 9.023 1.00 1.12 C ATOM 375 OE1 GLN A 26 10.322 -6.277 8.680 1.00 1.84 O ATOM 376 NE2 GLN A 26 8.732 -6.503 10.237 1.00 1.59 N ATOM 0 H GLN A 26 4.354 -7.181 8.116 1.00 0.36 H new ATOM 0 HA GLN A 26 5.657 -4.863 6.994 1.00 0.38 H new ATOM 0 HB2 GLN A 26 6.285 -5.815 9.202 1.00 0.54 H new ATOM 0 HB3 GLN A 26 6.774 -7.307 8.423 1.00 0.54 H new ATOM 0 HG2 GLN A 26 8.408 -5.878 7.034 1.00 0.67 H new ATOM 0 HG3 GLN A 26 8.045 -4.565 8.137 1.00 0.67 H new ATOM 0 HE21 GLN A 26 7.748 -6.406 10.486 1.00 1.59 H new ATOM 0 HE22 GLN A 26 9.400 -6.852 10.924 1.00 1.59 H new ATOM 385 N VAL A 27 6.935 -5.802 5.039 1.00 0.29 N ATOM 386 CA VAL A 27 7.604 -6.321 3.866 1.00 0.29 C ATOM 387 C VAL A 27 9.022 -5.761 3.808 1.00 0.28 C ATOM 388 O VAL A 27 9.239 -4.554 3.926 1.00 0.31 O ATOM 389 CB VAL A 27 6.818 -6.020 2.565 1.00 0.35 C ATOM 390 CG1 VAL A 27 6.569 -4.533 2.395 1.00 0.44 C ATOM 391 CG2 VAL A 27 7.538 -6.593 1.354 1.00 0.44 C ATOM 0 H VAL A 27 7.038 -4.796 5.173 1.00 0.29 H new ATOM 0 HA VAL A 27 7.652 -7.407 3.945 1.00 0.29 H new ATOM 0 HB VAL A 27 5.846 -6.507 2.647 1.00 0.35 H new ATOM 0 HG11 VAL A 27 6.016 -4.360 1.472 1.00 0.44 H new ATOM 0 HG12 VAL A 27 5.990 -4.162 3.241 1.00 0.44 H new ATOM 0 HG13 VAL A 27 7.523 -4.007 2.350 1.00 0.44 H new ATOM 0 HG21 VAL A 27 6.968 -6.369 0.452 1.00 0.44 H new ATOM 0 HG22 VAL A 27 8.530 -6.148 1.276 1.00 0.44 H new ATOM 0 HG23 VAL A 27 7.633 -7.673 1.465 1.00 0.44 H new ATOM 401 N ALA A 28 9.987 -6.651 3.682 1.00 0.31 N ATOM 402 CA ALA A 28 11.382 -6.270 3.774 1.00 0.33 C ATOM 403 C ALA A 28 12.023 -6.160 2.399 1.00 0.28 C ATOM 404 O ALA A 28 11.861 -7.034 1.549 1.00 0.29 O ATOM 405 CB ALA A 28 12.125 -7.259 4.647 1.00 0.41 C ATOM 0 H ALA A 28 9.830 -7.645 3.515 1.00 0.31 H new ATOM 0 HA ALA A 28 11.441 -5.282 4.231 1.00 0.33 H new ATOM 0 HB1 ALA A 28 13.174 -6.969 4.714 1.00 0.41 H new ATOM 0 HB2 ALA A 28 11.686 -7.265 5.645 1.00 0.41 H new ATOM 0 HB3 ALA A 28 12.051 -8.256 4.212 1.00 0.41 H new ATOM 411 N LEU A 29 12.757 -5.076 2.205 1.00 0.28 N ATOM 412 CA LEU A 29 13.353 -4.756 0.918 1.00 0.28 C ATOM 413 C LEU A 29 14.632 -5.555 0.686 1.00 0.32 C ATOM 414 O LEU A 29 15.455 -5.699 1.587 1.00 0.36 O ATOM 415 CB LEU A 29 13.642 -3.253 0.842 1.00 0.35 C ATOM 416 CG LEU A 29 12.448 -2.358 0.481 1.00 0.38 C ATOM 417 CD1 LEU A 29 12.122 -2.494 -0.992 1.00 1.13 C ATOM 418 CD2 LEU A 29 11.221 -2.693 1.316 1.00 1.04 C ATOM 0 H LEU A 29 12.956 -4.393 2.936 1.00 0.28 H new ATOM 0 HA LEU A 29 12.646 -5.028 0.134 1.00 0.28 H new ATOM 0 HB2 LEU A 29 14.036 -2.929 1.805 1.00 0.35 H new ATOM 0 HB3 LEU A 29 14.429 -3.091 0.105 1.00 0.35 H new ATOM 0 HG LEU A 29 12.729 -1.328 0.698 1.00 0.38 H new ATOM 0 HD11 LEU A 29 11.274 -1.855 -1.237 1.00 1.13 H new ATOM 0 HD12 LEU A 29 12.986 -2.194 -1.585 1.00 1.13 H new ATOM 0 HD13 LEU A 29 11.872 -3.531 -1.215 1.00 1.13 H new ATOM 0 HD21 LEU A 29 10.397 -2.038 1.031 1.00 1.04 H new ATOM 0 HD22 LEU A 29 10.936 -3.731 1.144 1.00 1.04 H new ATOM 0 HD23 LEU A 29 11.450 -2.550 2.372 1.00 1.04 H new ATOM 430 N PRO A 30 14.799 -6.089 -0.534 1.00 0.38 N ATOM 431 CA PRO A 30 15.973 -6.887 -0.916 1.00 0.53 C ATOM 432 C PRO A 30 17.260 -6.060 -0.998 1.00 0.76 C ATOM 433 O PRO A 30 18.361 -6.601 -0.910 1.00 1.64 O ATOM 434 CB PRO A 30 15.598 -7.431 -2.305 1.00 0.52 C ATOM 435 CG PRO A 30 14.128 -7.231 -2.419 1.00 0.51 C ATOM 436 CD PRO A 30 13.839 -5.989 -1.636 1.00 0.41 C ATOM 0 HA PRO A 30 16.187 -7.660 -0.178 1.00 0.53 H new ATOM 0 HB2 PRO A 30 16.130 -6.898 -3.093 1.00 0.52 H new ATOM 0 HB3 PRO A 30 15.860 -8.485 -2.399 1.00 0.52 H new ATOM 0 HG2 PRO A 30 13.825 -7.119 -3.460 1.00 0.51 H new ATOM 0 HG3 PRO A 30 13.582 -8.085 -2.018 1.00 0.51 H new ATOM 0 HD2 PRO A 30 13.993 -5.088 -2.230 1.00 0.41 H new ATOM 0 HD3 PRO A 30 12.810 -5.963 -1.278 1.00 0.41 H new ATOM 483 N GLU A 34 14.904 -4.033 -5.708 1.00 0.54 N ATOM 484 CA GLU A 34 13.764 -3.696 -4.830 1.00 0.56 C ATOM 485 C GLU A 34 12.456 -3.500 -5.596 1.00 0.48 C ATOM 486 O GLU A 34 12.173 -2.419 -6.105 1.00 0.58 O ATOM 487 CB GLU A 34 14.085 -2.441 -4.001 1.00 0.72 C ATOM 488 CG GLU A 34 15.535 -2.399 -3.534 1.00 0.96 C ATOM 489 CD GLU A 34 15.842 -1.230 -2.625 1.00 1.55 C ATOM 490 OE1 GLU A 34 16.145 -0.139 -3.144 1.00 2.31 O ATOM 491 OE2 GLU A 34 15.756 -1.393 -1.391 1.00 1.97 O ATOM 0 HA GLU A 34 13.616 -4.549 -4.168 1.00 0.56 H new ATOM 0 HB2 GLU A 34 13.874 -1.553 -4.597 1.00 0.72 H new ATOM 0 HB3 GLU A 34 13.427 -2.406 -3.133 1.00 0.72 H new ATOM 0 HG2 GLU A 34 15.767 -3.327 -3.011 1.00 0.96 H new ATOM 0 HG3 GLU A 34 16.188 -2.353 -4.406 1.00 0.96 H new ATOM 498 N PRO A 35 11.652 -4.573 -5.688 1.00 0.41 N ATOM 499 CA PRO A 35 10.389 -4.575 -6.410 1.00 0.40 C ATOM 500 C PRO A 35 9.198 -4.345 -5.493 1.00 0.35 C ATOM 501 O PRO A 35 8.066 -4.681 -5.828 1.00 0.39 O ATOM 502 CB PRO A 35 10.349 -5.995 -6.954 1.00 0.48 C ATOM 503 CG PRO A 35 11.028 -6.827 -5.908 1.00 0.50 C ATOM 504 CD PRO A 35 11.931 -5.902 -5.118 1.00 0.46 C ATOM 0 HA PRO A 35 10.330 -3.786 -7.160 1.00 0.40 H new ATOM 0 HB2 PRO A 35 9.324 -6.326 -7.119 1.00 0.48 H new ATOM 0 HB3 PRO A 35 10.865 -6.066 -7.912 1.00 0.48 H new ATOM 0 HG2 PRO A 35 10.294 -7.299 -5.255 1.00 0.50 H new ATOM 0 HG3 PRO A 35 11.606 -7.628 -6.369 1.00 0.50 H new ATOM 0 HD2 PRO A 35 11.706 -5.936 -4.052 1.00 0.46 H new ATOM 0 HD3 PRO A 35 12.980 -6.174 -5.231 1.00 0.46 H new ATOM 512 N TRP A 36 9.460 -3.779 -4.332 1.00 0.30 N ATOM 513 CA TRP A 36 8.427 -3.602 -3.327 1.00 0.27 C ATOM 514 C TRP A 36 7.799 -2.220 -3.404 1.00 0.24 C ATOM 515 O TRP A 36 7.330 -1.690 -2.396 1.00 0.25 O ATOM 516 CB TRP A 36 8.990 -3.859 -1.926 1.00 0.28 C ATOM 517 CG TRP A 36 9.392 -5.285 -1.700 1.00 0.29 C ATOM 518 CD1 TRP A 36 10.400 -5.719 -0.894 1.00 0.32 C ATOM 519 CD2 TRP A 36 8.808 -6.466 -2.285 1.00 0.31 C ATOM 520 NE1 TRP A 36 10.476 -7.088 -0.926 1.00 0.34 N ATOM 521 CE2 TRP A 36 9.513 -7.571 -1.770 1.00 0.34 C ATOM 522 CE3 TRP A 36 7.757 -6.701 -3.184 1.00 0.35 C ATOM 523 CZ2 TRP A 36 9.205 -8.883 -2.121 1.00 0.38 C ATOM 524 CZ3 TRP A 36 7.457 -8.004 -3.532 1.00 0.41 C ATOM 525 CH2 TRP A 36 8.176 -9.080 -3.000 1.00 0.42 C ATOM 0 H TRP A 36 10.380 -3.433 -4.059 1.00 0.30 H new ATOM 0 HA TRP A 36 7.643 -4.332 -3.529 1.00 0.27 H new ATOM 0 HB2 TRP A 36 9.855 -3.215 -1.766 1.00 0.28 H new ATOM 0 HB3 TRP A 36 8.242 -3.578 -1.184 1.00 0.28 H new ATOM 0 HD1 TRP A 36 11.046 -5.078 -0.313 1.00 0.32 H new ATOM 0 HE1 TRP A 36 11.144 -7.656 -0.404 1.00 0.34 H new ATOM 0 HE3 TRP A 36 7.192 -5.878 -3.597 1.00 0.35 H new ATOM 0 HZ2 TRP A 36 9.759 -9.716 -1.713 1.00 0.38 H new ATOM 0 HZ3 TRP A 36 6.653 -8.195 -4.227 1.00 0.41 H new ATOM 0 HH2 TRP A 36 7.913 -10.087 -3.289 1.00 0.42 H new ATOM 536 N ASP A 37 7.772 -1.647 -4.603 1.00 0.24 N ATOM 537 CA ASP A 37 7.160 -0.340 -4.807 1.00 0.21 C ATOM 538 C ASP A 37 5.700 -0.387 -4.390 1.00 0.21 C ATOM 539 O ASP A 37 5.081 -1.457 -4.379 1.00 0.24 O ATOM 540 CB ASP A 37 7.230 0.107 -6.272 1.00 0.25 C ATOM 541 CG ASP A 37 8.547 -0.209 -6.949 1.00 0.82 C ATOM 542 OD1 ASP A 37 8.871 -1.405 -7.101 1.00 1.21 O ATOM 543 OD2 ASP A 37 9.239 0.736 -7.377 1.00 1.59 O ATOM 0 H ASP A 37 8.166 -2.066 -5.445 1.00 0.24 H new ATOM 0 HA ASP A 37 7.716 0.374 -4.200 1.00 0.21 H new ATOM 0 HB2 ASP A 37 6.424 -0.373 -6.827 1.00 0.25 H new ATOM 0 HB3 ASP A 37 7.056 1.182 -6.322 1.00 0.25 H new ATOM 548 N ILE A 38 5.144 0.772 -4.076 1.00 0.20 N ATOM 549 CA ILE A 38 3.754 0.869 -3.648 1.00 0.20 C ATOM 550 C ILE A 38 2.833 0.254 -4.710 1.00 0.20 C ATOM 551 O ILE A 38 1.783 -0.308 -4.401 1.00 0.23 O ATOM 552 CB ILE A 38 3.363 2.346 -3.377 1.00 0.20 C ATOM 553 CG1 ILE A 38 4.475 3.047 -2.578 1.00 0.20 C ATOM 554 CG2 ILE A 38 2.037 2.420 -2.628 1.00 0.23 C ATOM 555 CD1 ILE A 38 4.770 2.420 -1.230 1.00 0.24 C ATOM 0 H ILE A 38 5.636 1.665 -4.109 1.00 0.20 H new ATOM 0 HA ILE A 38 3.638 0.313 -2.718 1.00 0.20 H new ATOM 0 HB ILE A 38 3.243 2.857 -4.332 1.00 0.20 H new ATOM 0 HG12 ILE A 38 5.388 3.046 -3.173 1.00 0.20 H new ATOM 0 HG13 ILE A 38 4.194 4.089 -2.426 1.00 0.20 H new ATOM 0 HG21 ILE A 38 1.779 3.463 -2.447 1.00 0.23 H new ATOM 0 HG22 ILE A 38 1.255 1.951 -3.225 1.00 0.23 H new ATOM 0 HG23 ILE A 38 2.128 1.898 -1.675 1.00 0.23 H new ATOM 0 HD11 ILE A 38 5.566 2.977 -0.736 1.00 0.24 H new ATOM 0 HD12 ILE A 38 3.872 2.445 -0.613 1.00 0.24 H new ATOM 0 HD13 ILE A 38 5.085 1.386 -1.371 1.00 0.24 H new ATOM 567 N ARG A 39 3.272 0.341 -5.962 1.00 0.19 N ATOM 568 CA ARG A 39 2.582 -0.280 -7.086 1.00 0.20 C ATOM 569 C ARG A 39 2.533 -1.799 -6.927 1.00 0.19 C ATOM 570 O ARG A 39 1.469 -2.411 -7.011 1.00 0.25 O ATOM 571 CB ARG A 39 3.310 0.100 -8.389 1.00 0.31 C ATOM 572 CG ARG A 39 2.693 -0.455 -9.672 1.00 0.99 C ATOM 573 CD ARG A 39 3.001 -1.935 -9.881 1.00 1.11 C ATOM 574 NE ARG A 39 2.503 -2.416 -11.167 1.00 1.63 N ATOM 575 CZ ARG A 39 2.735 -3.633 -11.659 1.00 2.06 C ATOM 576 NH1 ARG A 39 3.542 -4.474 -11.022 1.00 2.03 N ATOM 577 NH2 ARG A 39 2.180 -4.000 -12.806 1.00 2.62 N ATOM 0 H ARG A 39 4.118 0.846 -6.225 1.00 0.19 H new ATOM 0 HA ARG A 39 1.554 0.081 -7.119 1.00 0.20 H new ATOM 0 HB2 ARG A 39 3.343 1.187 -8.463 1.00 0.31 H new ATOM 0 HB3 ARG A 39 4.341 -0.246 -8.323 1.00 0.31 H new ATOM 0 HG2 ARG A 39 1.613 -0.314 -9.641 1.00 0.99 H new ATOM 0 HG3 ARG A 39 3.065 0.113 -10.525 1.00 0.99 H new ATOM 0 HD2 ARG A 39 4.078 -2.093 -9.826 1.00 1.11 H new ATOM 0 HD3 ARG A 39 2.552 -2.517 -9.076 1.00 1.11 H new ATOM 0 HE ARG A 39 1.939 -1.777 -11.727 1.00 1.63 H new ATOM 0 HH11 ARG A 39 3.989 -4.190 -10.150 1.00 2.03 H new ATOM 0 HH12 ARG A 39 3.715 -5.404 -11.405 1.00 2.03 H new ATOM 0 HH21 ARG A 39 1.576 -3.351 -13.311 1.00 2.62 H new ATOM 0 HH22 ARG A 39 2.357 -4.931 -13.183 1.00 2.62 H new ATOM 591 N ASN A 40 3.687 -2.404 -6.690 1.00 0.17 N ATOM 592 CA ASN A 40 3.796 -3.859 -6.688 1.00 0.18 C ATOM 593 C ASN A 40 3.154 -4.454 -5.450 1.00 0.18 C ATOM 594 O ASN A 40 2.677 -5.592 -5.467 1.00 0.22 O ATOM 595 CB ASN A 40 5.259 -4.293 -6.784 1.00 0.22 C ATOM 596 CG ASN A 40 5.828 -4.076 -8.175 1.00 0.40 C ATOM 597 OD1 ASN A 40 5.594 -4.874 -9.077 1.00 0.69 O ATOM 598 ND2 ASN A 40 6.601 -3.015 -8.356 1.00 0.59 N ATOM 0 H ASN A 40 4.560 -1.914 -6.497 1.00 0.17 H new ATOM 0 HA ASN A 40 3.263 -4.232 -7.562 1.00 0.18 H new ATOM 0 HB2 ASN A 40 5.851 -3.734 -6.059 1.00 0.22 H new ATOM 0 HB3 ASN A 40 5.342 -5.347 -6.519 1.00 0.22 H new ATOM 0 HD21 ASN A 40 7.023 -2.841 -9.268 1.00 0.59 H new ATOM 0 HD22 ASN A 40 6.774 -2.372 -7.583 1.00 0.59 H new ATOM 605 N LEU A 41 3.136 -3.680 -4.383 1.00 0.18 N ATOM 606 CA LEU A 41 2.511 -4.115 -3.146 1.00 0.19 C ATOM 607 C LEU A 41 1.007 -4.055 -3.265 1.00 0.19 C ATOM 608 O LEU A 41 0.302 -4.886 -2.705 1.00 0.21 O ATOM 609 CB LEU A 41 3.000 -3.278 -1.970 1.00 0.21 C ATOM 610 CG LEU A 41 4.284 -3.795 -1.324 1.00 0.26 C ATOM 611 CD1 LEU A 41 3.985 -5.028 -0.488 1.00 0.32 C ATOM 612 CD2 LEU A 41 5.312 -4.134 -2.391 1.00 0.29 C ATOM 0 H LEU A 41 3.546 -2.747 -4.346 1.00 0.18 H new ATOM 0 HA LEU A 41 2.797 -5.151 -2.961 1.00 0.19 H new ATOM 0 HB2 LEU A 41 3.164 -2.255 -2.310 1.00 0.21 H new ATOM 0 HB3 LEU A 41 2.216 -3.241 -1.214 1.00 0.21 H new ATOM 0 HG LEU A 41 4.689 -3.015 -0.680 1.00 0.26 H new ATOM 0 HD11 LEU A 41 4.906 -5.390 -0.031 1.00 0.32 H new ATOM 0 HD12 LEU A 41 3.268 -4.773 0.293 1.00 0.32 H new ATOM 0 HD13 LEU A 41 3.566 -5.807 -1.125 1.00 0.32 H new ATOM 0 HD21 LEU A 41 6.222 -4.501 -1.916 1.00 0.29 H new ATOM 0 HD22 LEU A 41 4.911 -4.903 -3.051 1.00 0.29 H new ATOM 0 HD23 LEU A 41 5.541 -3.241 -2.972 1.00 0.29 H new ATOM 624 N LEU A 42 0.527 -3.079 -4.017 1.00 0.19 N ATOM 625 CA LEU A 42 -0.883 -2.992 -4.341 1.00 0.23 C ATOM 626 C LEU A 42 -1.338 -4.262 -5.038 1.00 0.21 C ATOM 627 O LEU A 42 -2.424 -4.769 -4.781 1.00 0.26 O ATOM 628 CB LEU A 42 -1.133 -1.773 -5.224 1.00 0.30 C ATOM 629 CG LEU A 42 -2.501 -1.718 -5.894 1.00 0.47 C ATOM 630 CD1 LEU A 42 -2.980 -0.293 -5.951 1.00 0.91 C ATOM 631 CD2 LEU A 42 -2.438 -2.297 -7.299 1.00 0.82 C ATOM 0 H LEU A 42 1.098 -2.333 -4.415 1.00 0.19 H new ATOM 0 HA LEU A 42 -1.458 -2.882 -3.422 1.00 0.23 H new ATOM 0 HB2 LEU A 42 -1.008 -0.875 -4.618 1.00 0.30 H new ATOM 0 HB3 LEU A 42 -0.367 -1.744 -5.999 1.00 0.30 H new ATOM 0 HG LEU A 42 -3.199 -2.315 -5.307 1.00 0.47 H new ATOM 0 HD11 LEU A 42 -3.958 -0.257 -6.431 1.00 0.91 H new ATOM 0 HD12 LEU A 42 -3.057 0.106 -4.939 1.00 0.91 H new ATOM 0 HD13 LEU A 42 -2.273 0.306 -6.524 1.00 0.91 H new ATOM 0 HD21 LEU A 42 -3.426 -2.247 -7.758 1.00 0.82 H new ATOM 0 HD22 LEU A 42 -1.731 -1.723 -7.898 1.00 0.82 H new ATOM 0 HD23 LEU A 42 -2.113 -3.336 -7.250 1.00 0.82 H new ATOM 643 N VAL A 43 -0.489 -4.776 -5.915 1.00 0.20 N ATOM 644 CA VAL A 43 -0.781 -6.007 -6.632 1.00 0.22 C ATOM 645 C VAL A 43 -0.857 -7.170 -5.658 1.00 0.22 C ATOM 646 O VAL A 43 -1.800 -7.966 -5.691 1.00 0.24 O ATOM 647 CB VAL A 43 0.296 -6.317 -7.687 1.00 0.27 C ATOM 648 CG1 VAL A 43 -0.041 -7.600 -8.431 1.00 0.31 C ATOM 649 CG2 VAL A 43 0.459 -5.151 -8.648 1.00 0.32 C ATOM 0 H VAL A 43 0.411 -4.357 -6.148 1.00 0.20 H new ATOM 0 HA VAL A 43 -1.737 -5.871 -7.137 1.00 0.22 H new ATOM 0 HB VAL A 43 1.248 -6.463 -7.177 1.00 0.27 H new ATOM 0 HG11 VAL A 43 0.731 -7.804 -9.173 1.00 0.31 H new ATOM 0 HG12 VAL A 43 -0.092 -8.428 -7.724 1.00 0.31 H new ATOM 0 HG13 VAL A 43 -1.004 -7.489 -8.930 1.00 0.31 H new ATOM 0 HG21 VAL A 43 1.225 -5.391 -9.385 1.00 0.32 H new ATOM 0 HG22 VAL A 43 -0.487 -4.963 -9.156 1.00 0.32 H new ATOM 0 HG23 VAL A 43 0.756 -4.261 -8.093 1.00 0.32 H new ATOM 659 N TRP A 44 0.144 -7.252 -4.794 1.00 0.23 N ATOM 660 CA TRP A 44 0.186 -8.265 -3.755 1.00 0.27 C ATOM 661 C TRP A 44 -1.085 -8.190 -2.914 1.00 0.28 C ATOM 662 O TRP A 44 -1.726 -9.201 -2.636 1.00 0.33 O ATOM 663 CB TRP A 44 1.426 -8.045 -2.876 1.00 0.31 C ATOM 664 CG TRP A 44 1.605 -9.067 -1.789 1.00 0.41 C ATOM 665 CD1 TRP A 44 1.012 -9.071 -0.557 1.00 0.45 C ATOM 666 CD2 TRP A 44 2.446 -10.224 -1.829 1.00 0.54 C ATOM 667 NE1 TRP A 44 1.423 -10.163 0.162 1.00 0.56 N ATOM 668 CE2 TRP A 44 2.305 -10.886 -0.594 1.00 0.61 C ATOM 669 CE3 TRP A 44 3.305 -10.769 -2.789 1.00 0.65 C ATOM 670 CZ2 TRP A 44 2.988 -12.060 -0.296 1.00 0.76 C ATOM 671 CZ3 TRP A 44 3.984 -11.936 -2.490 1.00 0.81 C ATOM 672 CH2 TRP A 44 3.821 -12.570 -1.253 1.00 0.85 C ATOM 0 H TRP A 44 0.945 -6.621 -4.795 1.00 0.23 H new ATOM 0 HA TRP A 44 0.247 -9.254 -4.208 1.00 0.27 H new ATOM 0 HB2 TRP A 44 2.312 -8.049 -3.511 1.00 0.31 H new ATOM 0 HB3 TRP A 44 1.364 -7.056 -2.422 1.00 0.31 H new ATOM 0 HD1 TRP A 44 0.320 -8.322 -0.202 1.00 0.45 H new ATOM 0 HE1 TRP A 44 1.120 -10.399 1.107 1.00 0.56 H new ATOM 0 HE3 TRP A 44 3.436 -10.287 -3.747 1.00 0.65 H new ATOM 0 HZ2 TRP A 44 2.865 -12.552 0.658 1.00 0.76 H new ATOM 0 HZ3 TRP A 44 4.651 -12.365 -3.223 1.00 0.81 H new ATOM 0 HH2 TRP A 44 4.364 -13.481 -1.050 1.00 0.85 H new ATOM 683 N ILE A 45 -1.452 -6.973 -2.548 1.00 0.26 N ATOM 684 CA ILE A 45 -2.642 -6.721 -1.751 1.00 0.29 C ATOM 685 C ILE A 45 -3.912 -7.097 -2.514 1.00 0.31 C ATOM 686 O ILE A 45 -4.736 -7.872 -2.038 1.00 0.37 O ATOM 687 CB ILE A 45 -2.707 -5.229 -1.352 1.00 0.31 C ATOM 688 CG1 ILE A 45 -1.618 -4.899 -0.327 1.00 0.36 C ATOM 689 CG2 ILE A 45 -4.077 -4.864 -0.813 1.00 0.36 C ATOM 690 CD1 ILE A 45 -1.534 -3.426 0.010 1.00 0.47 C ATOM 0 H ILE A 45 -0.933 -6.131 -2.795 1.00 0.26 H new ATOM 0 HA ILE A 45 -2.580 -7.340 -0.856 1.00 0.29 H new ATOM 0 HB ILE A 45 -2.532 -4.634 -2.248 1.00 0.31 H new ATOM 0 HG12 ILE A 45 -1.807 -5.463 0.587 1.00 0.36 H new ATOM 0 HG13 ILE A 45 -0.654 -5.231 -0.713 1.00 0.36 H new ATOM 0 HG21 ILE A 45 -4.092 -3.809 -0.541 1.00 0.36 H new ATOM 0 HG22 ILE A 45 -4.831 -5.052 -1.578 1.00 0.36 H new ATOM 0 HG23 ILE A 45 -4.295 -5.469 0.067 1.00 0.36 H new ATOM 0 HD11 ILE A 45 -0.742 -3.265 0.741 1.00 0.47 H new ATOM 0 HD12 ILE A 45 -1.314 -2.858 -0.894 1.00 0.47 H new ATOM 0 HD13 ILE A 45 -2.485 -3.093 0.426 1.00 0.47 H new ATOM 702 N LYS A 46 -4.049 -6.559 -3.708 1.00 0.29 N ATOM 703 CA LYS A 46 -5.271 -6.706 -4.482 1.00 0.35 C ATOM 704 C LYS A 46 -5.488 -8.148 -4.927 1.00 0.39 C ATOM 705 O LYS A 46 -6.512 -8.755 -4.622 1.00 0.44 O ATOM 706 CB LYS A 46 -5.221 -5.781 -5.702 1.00 0.39 C ATOM 707 CG LYS A 46 -6.579 -5.511 -6.329 1.00 0.91 C ATOM 708 CD LYS A 46 -6.501 -4.388 -7.351 1.00 0.91 C ATOM 709 CE LYS A 46 -7.862 -4.080 -7.952 1.00 1.26 C ATOM 710 NZ LYS A 46 -7.809 -2.929 -8.892 1.00 1.93 N ATOM 0 H LYS A 46 -3.324 -6.010 -4.170 1.00 0.29 H new ATOM 0 HA LYS A 46 -6.110 -6.429 -3.844 1.00 0.35 H new ATOM 0 HB2 LYS A 46 -4.773 -4.832 -5.407 1.00 0.39 H new ATOM 0 HB3 LYS A 46 -4.567 -6.223 -6.453 1.00 0.39 H new ATOM 0 HG2 LYS A 46 -6.947 -6.418 -6.809 1.00 0.91 H new ATOM 0 HG3 LYS A 46 -7.296 -5.249 -5.551 1.00 0.91 H new ATOM 0 HD2 LYS A 46 -6.101 -3.492 -6.877 1.00 0.91 H new ATOM 0 HD3 LYS A 46 -5.807 -4.666 -8.144 1.00 0.91 H new ATOM 0 HE2 LYS A 46 -8.234 -4.960 -8.477 1.00 1.26 H new ATOM 0 HE3 LYS A 46 -8.570 -3.863 -7.153 1.00 1.26 H new ATOM 0 HZ1 LYS A 46 -8.608 -2.985 -9.555 1.00 1.93 H new ATOM 0 HZ2 LYS A 46 -7.866 -2.040 -8.356 1.00 1.93 H new ATOM 0 HZ3 LYS A 46 -6.915 -2.956 -9.424 1.00 1.93 H new ATOM 724 N LYS A 47 -4.506 -8.707 -5.611 1.00 0.41 N ATOM 725 CA LYS A 47 -4.686 -9.990 -6.276 1.00 0.52 C ATOM 726 C LYS A 47 -4.499 -11.175 -5.332 1.00 0.57 C ATOM 727 O LYS A 47 -4.830 -12.307 -5.684 1.00 0.78 O ATOM 728 CB LYS A 47 -3.727 -10.106 -7.459 1.00 0.65 C ATOM 729 CG LYS A 47 -3.933 -9.025 -8.503 1.00 1.31 C ATOM 730 CD LYS A 47 -3.175 -9.332 -9.780 1.00 1.66 C ATOM 731 CE LYS A 47 -3.428 -8.275 -10.839 1.00 2.33 C ATOM 732 NZ LYS A 47 -2.945 -8.705 -12.177 1.00 2.96 N ATOM 0 H LYS A 47 -3.579 -8.297 -5.722 1.00 0.41 H new ATOM 0 HA LYS A 47 -5.716 -10.024 -6.630 1.00 0.52 H new ATOM 0 HB2 LYS A 47 -2.701 -10.058 -7.093 1.00 0.65 H new ATOM 0 HB3 LYS A 47 -3.853 -11.083 -7.927 1.00 0.65 H new ATOM 0 HG2 LYS A 47 -4.996 -8.929 -8.724 1.00 1.31 H new ATOM 0 HG3 LYS A 47 -3.603 -8.066 -8.105 1.00 1.31 H new ATOM 0 HD2 LYS A 47 -2.107 -9.388 -9.567 1.00 1.66 H new ATOM 0 HD3 LYS A 47 -3.477 -10.309 -10.159 1.00 1.66 H new ATOM 0 HE2 LYS A 47 -4.495 -8.060 -10.890 1.00 2.33 H new ATOM 0 HE3 LYS A 47 -2.930 -7.348 -10.554 1.00 2.33 H new ATOM 0 HZ1 LYS A 47 -3.136 -7.956 -12.872 1.00 2.96 H new ATOM 0 HZ2 LYS A 47 -1.922 -8.886 -12.135 1.00 2.96 H new ATOM 0 HZ3 LYS A 47 -3.439 -9.575 -12.461 1.00 2.96 H new ATOM 746 N ASN A 48 -3.978 -10.931 -4.138 1.00 0.50 N ATOM 747 CA ASN A 48 -3.750 -12.021 -3.193 1.00 0.58 C ATOM 748 C ASN A 48 -4.583 -11.859 -1.931 1.00 0.58 C ATOM 749 O ASN A 48 -5.084 -12.838 -1.381 1.00 0.77 O ATOM 750 CB ASN A 48 -2.271 -12.121 -2.800 1.00 0.61 C ATOM 751 CG ASN A 48 -1.364 -12.506 -3.955 1.00 1.41 C ATOM 752 OD1 ASN A 48 -1.148 -13.688 -4.222 1.00 2.21 O ATOM 753 ND2 ASN A 48 -0.809 -11.512 -4.630 1.00 2.09 N ATOM 0 H ASN A 48 -3.708 -10.006 -3.802 1.00 0.50 H new ATOM 0 HA ASN A 48 -4.053 -12.936 -3.703 1.00 0.58 H new ATOM 0 HB2 ASN A 48 -1.945 -11.163 -2.396 1.00 0.61 H new ATOM 0 HB3 ASN A 48 -2.164 -12.857 -2.003 1.00 0.61 H new ATOM 0 HD21 ASN A 48 -0.176 -11.712 -5.404 1.00 2.09 H new ATOM 0 HD22 ASN A 48 -1.015 -10.546 -4.376 1.00 2.09 H new ATOM 760 N LEU A 49 -4.745 -10.626 -1.479 1.00 0.42 N ATOM 761 CA LEU A 49 -5.313 -10.380 -0.162 1.00 0.44 C ATOM 762 C LEU A 49 -6.775 -9.927 -0.233 1.00 0.39 C ATOM 763 O LEU A 49 -7.534 -10.140 0.715 1.00 0.39 O ATOM 764 CB LEU A 49 -4.458 -9.338 0.564 1.00 0.50 C ATOM 765 CG LEU A 49 -4.735 -9.174 2.055 1.00 0.57 C ATOM 766 CD1 LEU A 49 -4.448 -10.471 2.797 1.00 1.32 C ATOM 767 CD2 LEU A 49 -3.899 -8.033 2.613 1.00 1.10 C ATOM 0 H LEU A 49 -4.494 -9.785 -1.999 1.00 0.42 H new ATOM 0 HA LEU A 49 -5.307 -11.318 0.393 1.00 0.44 H new ATOM 0 HB2 LEU A 49 -3.409 -9.604 0.436 1.00 0.50 H new ATOM 0 HB3 LEU A 49 -4.604 -8.373 0.078 1.00 0.50 H new ATOM 0 HG LEU A 49 -5.789 -8.934 2.196 1.00 0.57 H new ATOM 0 HD11 LEU A 49 -4.651 -10.335 3.859 1.00 1.32 H new ATOM 0 HD12 LEU A 49 -5.085 -11.264 2.404 1.00 1.32 H new ATOM 0 HD13 LEU A 49 -3.402 -10.745 2.660 1.00 1.32 H new ATOM 0 HD21 LEU A 49 -4.101 -7.921 3.678 1.00 1.10 H new ATOM 0 HD22 LEU A 49 -2.841 -8.251 2.465 1.00 1.10 H new ATOM 0 HD23 LEU A 49 -4.154 -7.108 2.096 1.00 1.10 H new ATOM 779 N LEU A 50 -7.174 -9.302 -1.341 1.00 0.39 N ATOM 780 CA LEU A 50 -8.561 -8.857 -1.499 1.00 0.39 C ATOM 781 C LEU A 50 -9.487 -10.075 -1.556 1.00 0.41 C ATOM 782 O LEU A 50 -9.359 -10.922 -2.442 1.00 0.50 O ATOM 783 CB LEU A 50 -8.721 -8.012 -2.773 1.00 0.47 C ATOM 784 CG LEU A 50 -9.741 -6.861 -2.701 1.00 0.44 C ATOM 785 CD1 LEU A 50 -11.110 -7.350 -2.281 1.00 0.51 C ATOM 786 CD2 LEU A 50 -9.266 -5.780 -1.749 1.00 0.62 C ATOM 0 H LEU A 50 -6.567 -9.094 -2.133 1.00 0.39 H new ATOM 0 HA LEU A 50 -8.829 -8.237 -0.644 1.00 0.39 H new ATOM 0 HB2 LEU A 50 -7.748 -7.592 -3.030 1.00 0.47 H new ATOM 0 HB3 LEU A 50 -9.009 -8.674 -3.590 1.00 0.47 H new ATOM 0 HG LEU A 50 -9.824 -6.443 -3.704 1.00 0.44 H new ATOM 0 HD11 LEU A 50 -11.801 -6.508 -2.242 1.00 0.51 H new ATOM 0 HD12 LEU A 50 -11.472 -8.083 -3.002 1.00 0.51 H new ATOM 0 HD13 LEU A 50 -11.045 -7.812 -1.296 1.00 0.51 H new ATOM 0 HD21 LEU A 50 -10.002 -4.977 -1.714 1.00 0.62 H new ATOM 0 HD22 LEU A 50 -9.142 -6.202 -0.752 1.00 0.62 H new ATOM 0 HD23 LEU A 50 -8.312 -5.383 -2.096 1.00 0.62 H new ATOM 798 N LYS A 51 -10.406 -10.162 -0.602 1.00 0.40 N ATOM 799 CA LYS A 51 -11.287 -11.315 -0.498 1.00 0.47 C ATOM 800 C LYS A 51 -12.561 -11.130 -1.324 1.00 0.52 C ATOM 801 O LYS A 51 -13.053 -12.082 -1.933 1.00 0.63 O ATOM 802 CB LYS A 51 -11.625 -11.564 0.971 1.00 0.52 C ATOM 803 CG LYS A 51 -10.387 -11.699 1.844 1.00 0.57 C ATOM 804 CD LYS A 51 -9.553 -12.914 1.452 1.00 1.08 C ATOM 805 CE LYS A 51 -8.190 -12.918 2.132 1.00 1.81 C ATOM 806 NZ LYS A 51 -8.293 -12.932 3.614 1.00 2.26 N ATOM 0 H LYS A 51 -10.559 -9.447 0.110 1.00 0.40 H new ATOM 0 HA LYS A 51 -10.768 -12.184 -0.903 1.00 0.47 H new ATOM 0 HB2 LYS A 51 -12.239 -10.743 1.342 1.00 0.52 H new ATOM 0 HB3 LYS A 51 -12.223 -12.472 1.053 1.00 0.52 H new ATOM 0 HG2 LYS A 51 -9.780 -10.798 1.758 1.00 0.57 H new ATOM 0 HG3 LYS A 51 -10.685 -11.784 2.889 1.00 0.57 H new ATOM 0 HD2 LYS A 51 -10.092 -13.824 1.717 1.00 1.08 H new ATOM 0 HD3 LYS A 51 -9.418 -12.927 0.370 1.00 1.08 H new ATOM 0 HE2 LYS A 51 -7.626 -13.790 1.802 1.00 1.81 H new ATOM 0 HE3 LYS A 51 -7.629 -12.038 1.818 1.00 1.81 H new ATOM 0 HZ1 LYS A 51 -7.496 -13.468 4.012 1.00 2.26 H new ATOM 0 HZ2 LYS A 51 -8.268 -11.956 3.973 1.00 2.26 H new ATOM 0 HZ3 LYS A 51 -9.188 -13.381 3.896 1.00 2.26 H new ATOM 820 N GLU A 52 -13.091 -9.912 -1.353 1.00 0.52 N ATOM 821 CA GLU A 52 -14.301 -9.629 -2.125 1.00 0.59 C ATOM 822 C GLU A 52 -13.949 -9.028 -3.488 1.00 0.58 C ATOM 823 O GLU A 52 -12.832 -9.201 -3.976 1.00 0.72 O ATOM 824 CB GLU A 52 -15.238 -8.697 -1.346 1.00 0.66 C ATOM 825 CG GLU A 52 -14.639 -7.347 -0.980 1.00 0.64 C ATOM 826 CD GLU A 52 -15.646 -6.462 -0.274 1.00 0.90 C ATOM 827 OE1 GLU A 52 -15.840 -6.629 0.948 1.00 1.16 O ATOM 828 OE2 GLU A 52 -16.274 -5.614 -0.943 1.00 1.15 O ATOM 0 H GLU A 52 -12.707 -9.108 -0.856 1.00 0.52 H new ATOM 0 HA GLU A 52 -14.822 -10.571 -2.294 1.00 0.59 H new ATOM 0 HB2 GLU A 52 -16.137 -8.530 -1.939 1.00 0.66 H new ATOM 0 HB3 GLU A 52 -15.549 -9.200 -0.431 1.00 0.66 H new ATOM 0 HG2 GLU A 52 -13.771 -7.496 -0.337 1.00 0.64 H new ATOM 0 HG3 GLU A 52 -14.286 -6.849 -1.883 1.00 0.64 H new ATOM 835 N ARG A 53 -14.913 -8.366 -4.119 1.00 0.65 N ATOM 836 CA ARG A 53 -14.672 -7.714 -5.400 1.00 0.68 C ATOM 837 C ARG A 53 -13.616 -6.615 -5.250 1.00 0.59 C ATOM 838 O ARG A 53 -13.682 -5.797 -4.339 1.00 0.65 O ATOM 839 CB ARG A 53 -15.973 -7.130 -5.987 1.00 0.87 C ATOM 840 CG ARG A 53 -16.471 -5.855 -5.308 1.00 1.34 C ATOM 841 CD ARG A 53 -17.032 -6.111 -3.919 1.00 1.78 C ATOM 842 NE ARG A 53 -18.359 -6.718 -3.964 1.00 2.46 N ATOM 843 CZ ARG A 53 -19.132 -6.894 -2.894 1.00 3.32 C ATOM 844 NH1 ARG A 53 -18.695 -6.549 -1.688 1.00 3.80 N ATOM 845 NH2 ARG A 53 -20.341 -7.423 -3.034 1.00 4.10 N ATOM 0 H ARG A 53 -15.865 -8.267 -3.766 1.00 0.65 H new ATOM 0 HA ARG A 53 -14.301 -8.469 -6.093 1.00 0.68 H new ATOM 0 HB2 ARG A 53 -15.816 -6.923 -7.045 1.00 0.87 H new ATOM 0 HB3 ARG A 53 -16.755 -7.887 -5.923 1.00 0.87 H new ATOM 0 HG2 ARG A 53 -15.650 -5.141 -5.238 1.00 1.34 H new ATOM 0 HG3 ARG A 53 -17.241 -5.395 -5.927 1.00 1.34 H new ATOM 0 HD2 ARG A 53 -16.354 -6.764 -3.370 1.00 1.78 H new ATOM 0 HD3 ARG A 53 -17.083 -5.170 -3.370 1.00 1.78 H new ATOM 0 HE ARG A 53 -18.715 -7.026 -4.869 1.00 2.46 H new ATOM 0 HH11 ARG A 53 -17.764 -6.147 -1.579 1.00 3.80 H new ATOM 0 HH12 ARG A 53 -19.291 -6.686 -0.871 1.00 3.80 H new ATOM 0 HH21 ARG A 53 -20.675 -7.693 -3.959 1.00 4.10 H new ATOM 0 HH22 ARG A 53 -20.936 -7.559 -2.217 1.00 4.10 H new ATOM 859 N PRO A 54 -12.604 -6.609 -6.120 1.00 0.55 N ATOM 860 CA PRO A 54 -11.555 -5.587 -6.116 1.00 0.53 C ATOM 861 C PRO A 54 -11.992 -4.286 -6.787 1.00 0.57 C ATOM 862 O PRO A 54 -11.256 -3.301 -6.793 1.00 0.59 O ATOM 863 CB PRO A 54 -10.435 -6.218 -6.946 1.00 0.61 C ATOM 864 CG PRO A 54 -10.857 -7.628 -7.208 1.00 0.68 C ATOM 865 CD PRO A 54 -12.354 -7.626 -7.141 1.00 0.65 C ATOM 0 HA PRO A 54 -11.275 -5.319 -5.097 1.00 0.53 H new ATOM 0 HB2 PRO A 54 -10.289 -5.675 -7.880 1.00 0.61 H new ATOM 0 HB3 PRO A 54 -9.487 -6.188 -6.408 1.00 0.61 H new ATOM 0 HG2 PRO A 54 -10.510 -7.965 -8.185 1.00 0.68 H new ATOM 0 HG3 PRO A 54 -10.433 -8.307 -6.468 1.00 0.68 H new ATOM 0 HD2 PRO A 54 -12.806 -7.365 -8.098 1.00 0.65 H new ATOM 0 HD3 PRO A 54 -12.752 -8.600 -6.855 1.00 0.65 H new ATOM 873 N GLU A 55 -13.181 -4.300 -7.364 1.00 0.64 N ATOM 874 CA GLU A 55 -13.668 -3.173 -8.153 1.00 0.75 C ATOM 875 C GLU A 55 -13.993 -1.947 -7.297 1.00 0.69 C ATOM 876 O GLU A 55 -13.629 -0.830 -7.659 1.00 0.80 O ATOM 877 CB GLU A 55 -14.877 -3.591 -8.988 1.00 0.92 C ATOM 878 CG GLU A 55 -14.549 -4.679 -9.998 1.00 1.39 C ATOM 879 CD GLU A 55 -13.252 -4.406 -10.737 1.00 1.89 C ATOM 880 OE1 GLU A 55 -13.250 -3.573 -11.665 1.00 2.27 O ATOM 881 OE2 GLU A 55 -12.222 -5.016 -10.382 1.00 2.43 O ATOM 0 H GLU A 55 -13.833 -5.082 -7.302 1.00 0.64 H new ATOM 0 HA GLU A 55 -12.859 -2.878 -8.821 1.00 0.75 H new ATOM 0 HB2 GLU A 55 -15.666 -3.944 -8.324 1.00 0.92 H new ATOM 0 HB3 GLU A 55 -15.268 -2.720 -9.514 1.00 0.92 H new ATOM 0 HG2 GLU A 55 -14.478 -5.638 -9.485 1.00 1.39 H new ATOM 0 HG3 GLU A 55 -15.364 -4.762 -10.717 1.00 1.39 H new ATOM 888 N LEU A 56 -14.655 -2.145 -6.158 1.00 0.64 N ATOM 889 CA LEU A 56 -14.952 -1.021 -5.268 1.00 0.68 C ATOM 890 C LEU A 56 -13.686 -0.626 -4.508 1.00 0.59 C ATOM 891 O LEU A 56 -13.638 0.378 -3.799 1.00 0.69 O ATOM 892 CB LEU A 56 -16.141 -1.340 -4.322 1.00 0.81 C ATOM 893 CG LEU A 56 -15.882 -2.169 -3.041 1.00 1.09 C ATOM 894 CD1 LEU A 56 -14.909 -3.309 -3.274 1.00 1.86 C ATOM 895 CD2 LEU A 56 -15.420 -1.281 -1.893 1.00 2.05 C ATOM 0 H LEU A 56 -14.990 -3.052 -5.833 1.00 0.64 H new ATOM 0 HA LEU A 56 -15.269 -0.166 -5.865 1.00 0.68 H new ATOM 0 HB2 LEU A 56 -16.581 -0.391 -4.016 1.00 0.81 H new ATOM 0 HB3 LEU A 56 -16.895 -1.867 -4.907 1.00 0.81 H new ATOM 0 HG LEU A 56 -16.835 -2.619 -2.762 1.00 1.09 H new ATOM 0 HD11 LEU A 56 -14.763 -3.858 -2.344 1.00 1.86 H new ATOM 0 HD12 LEU A 56 -15.311 -3.981 -4.033 1.00 1.86 H new ATOM 0 HD13 LEU A 56 -13.954 -2.908 -3.613 1.00 1.86 H new ATOM 0 HD21 LEU A 56 -15.246 -1.892 -1.007 1.00 2.05 H new ATOM 0 HD22 LEU A 56 -14.495 -0.776 -2.173 1.00 2.05 H new ATOM 0 HD23 LEU A 56 -16.187 -0.538 -1.676 1.00 2.05 H new ATOM 907 N PHE A 57 -12.651 -1.426 -4.707 1.00 0.47 N ATOM 908 CA PHE A 57 -11.351 -1.189 -4.121 1.00 0.41 C ATOM 909 C PHE A 57 -10.538 -0.264 -5.053 1.00 0.37 C ATOM 910 O PHE A 57 -11.098 0.351 -5.962 1.00 0.37 O ATOM 911 CB PHE A 57 -10.675 -2.551 -3.853 1.00 0.38 C ATOM 912 CG PHE A 57 -9.352 -2.499 -3.132 1.00 0.35 C ATOM 913 CD1 PHE A 57 -9.221 -1.821 -1.928 1.00 0.35 C ATOM 914 CD2 PHE A 57 -8.242 -3.146 -3.654 1.00 0.37 C ATOM 915 CE1 PHE A 57 -8.010 -1.790 -1.263 1.00 0.36 C ATOM 916 CE2 PHE A 57 -7.031 -3.121 -2.991 1.00 0.38 C ATOM 917 CZ PHE A 57 -6.916 -2.442 -1.794 1.00 0.35 C ATOM 0 H PHE A 57 -12.695 -2.265 -5.286 1.00 0.47 H new ATOM 0 HA PHE A 57 -11.426 -0.676 -3.162 1.00 0.41 H new ATOM 0 HB2 PHE A 57 -11.360 -3.167 -3.270 1.00 0.38 H new ATOM 0 HB3 PHE A 57 -10.527 -3.055 -4.808 1.00 0.38 H new ATOM 0 HD1 PHE A 57 -10.075 -1.312 -1.506 1.00 0.35 H new ATOM 0 HD2 PHE A 57 -8.326 -3.676 -4.591 1.00 0.37 H new ATOM 0 HE1 PHE A 57 -7.920 -1.256 -0.329 1.00 0.36 H new ATOM 0 HE2 PHE A 57 -6.175 -3.632 -3.408 1.00 0.38 H new ATOM 0 HZ PHE A 57 -5.970 -2.421 -1.274 1.00 0.35 H new ATOM 927 N ILE A 58 -9.244 -0.154 -4.816 1.00 0.36 N ATOM 928 CA ILE A 58 -8.409 0.879 -5.424 1.00 0.36 C ATOM 929 C ILE A 58 -7.926 0.545 -6.839 1.00 0.30 C ATOM 930 O ILE A 58 -7.955 -0.610 -7.275 1.00 0.30 O ATOM 931 CB ILE A 58 -7.193 1.150 -4.534 1.00 0.45 C ATOM 932 CG1 ILE A 58 -6.346 -0.111 -4.419 1.00 0.51 C ATOM 933 CG2 ILE A 58 -7.653 1.620 -3.167 1.00 0.97 C ATOM 934 CD1 ILE A 58 -5.197 0.009 -3.442 1.00 0.90 C ATOM 0 H ILE A 58 -8.734 -0.780 -4.193 1.00 0.36 H new ATOM 0 HA ILE A 58 -9.043 1.761 -5.511 1.00 0.36 H new ATOM 0 HB ILE A 58 -6.582 1.934 -4.980 1.00 0.45 H new ATOM 0 HG12 ILE A 58 -6.985 -0.939 -4.113 1.00 0.51 H new ATOM 0 HG13 ILE A 58 -5.949 -0.361 -5.403 1.00 0.51 H new ATOM 0 HG21 ILE A 58 -6.784 1.812 -2.537 1.00 0.97 H new ATOM 0 HG22 ILE A 58 -8.233 2.536 -3.274 1.00 0.97 H new ATOM 0 HG23 ILE A 58 -8.272 0.850 -2.707 1.00 0.97 H new ATOM 0 HD11 ILE A 58 -4.642 -0.929 -3.416 1.00 0.90 H new ATOM 0 HD12 ILE A 58 -4.534 0.815 -3.757 1.00 0.90 H new ATOM 0 HD13 ILE A 58 -5.586 0.227 -2.448 1.00 0.90 H new ATOM 946 N GLN A 59 -7.471 1.592 -7.533 1.00 0.31 N ATOM 947 CA GLN A 59 -6.914 1.487 -8.882 1.00 0.30 C ATOM 948 C GLN A 59 -5.669 0.617 -8.859 1.00 0.27 C ATOM 949 O GLN A 59 -4.962 0.587 -7.857 1.00 0.29 O ATOM 950 CB GLN A 59 -6.534 2.876 -9.408 1.00 0.39 C ATOM 951 CG GLN A 59 -5.357 3.509 -8.664 1.00 0.56 C ATOM 952 CD GLN A 59 -4.907 4.825 -9.270 1.00 0.60 C ATOM 953 OE1 GLN A 59 -5.707 5.542 -9.867 1.00 1.35 O ATOM 954 NE2 GLN A 59 -3.628 5.163 -9.120 1.00 0.58 N ATOM 0 H GLN A 59 -7.480 2.545 -7.169 1.00 0.31 H new ATOM 0 HA GLN A 59 -7.667 1.043 -9.533 1.00 0.30 H new ATOM 0 HB2 GLN A 59 -6.286 2.800 -10.467 1.00 0.39 H new ATOM 0 HB3 GLN A 59 -7.399 3.534 -9.330 1.00 0.39 H new ATOM 0 HG2 GLN A 59 -5.638 3.672 -7.624 1.00 0.56 H new ATOM 0 HG3 GLN A 59 -4.519 2.812 -8.662 1.00 0.56 H new ATOM 0 HE21 GLN A 59 -2.992 4.543 -8.618 1.00 0.58 H new ATOM 0 HE22 GLN A 59 -3.284 6.042 -9.507 1.00 0.58 H new ATOM 963 N GLY A 60 -5.417 -0.103 -9.944 1.00 0.32 N ATOM 964 CA GLY A 60 -4.250 -0.971 -10.015 1.00 0.38 C ATOM 965 C GLY A 60 -2.936 -0.209 -10.149 1.00 0.37 C ATOM 966 O GLY A 60 -2.127 -0.508 -11.031 1.00 0.55 O ATOM 0 H GLY A 60 -6.000 -0.104 -10.781 1.00 0.32 H new ATOM 0 HA2 GLY A 60 -4.212 -1.591 -9.119 1.00 0.38 H new ATOM 0 HA3 GLY A 60 -4.359 -1.645 -10.865 1.00 0.38 H new ATOM 970 N ASP A 61 -2.727 0.768 -9.272 1.00 0.40 N ATOM 971 CA ASP A 61 -1.495 1.554 -9.250 1.00 0.46 C ATOM 972 C ASP A 61 -1.097 1.869 -7.812 1.00 0.44 C ATOM 973 O ASP A 61 -0.063 1.411 -7.334 1.00 0.54 O ATOM 974 CB ASP A 61 -1.647 2.865 -10.035 1.00 0.55 C ATOM 975 CG ASP A 61 -1.753 2.663 -11.536 1.00 0.81 C ATOM 976 OD1 ASP A 61 -0.704 2.624 -12.209 1.00 1.06 O ATOM 977 OD2 ASP A 61 -2.890 2.559 -12.049 1.00 0.96 O ATOM 0 H ASP A 61 -3.404 1.038 -8.558 1.00 0.40 H new ATOM 0 HA ASP A 61 -0.717 0.957 -9.726 1.00 0.46 H new ATOM 0 HB2 ASP A 61 -2.536 3.389 -9.683 1.00 0.55 H new ATOM 0 HB3 ASP A 61 -0.793 3.508 -9.822 1.00 0.55 H new ATOM 982 N SER A 62 -1.936 2.635 -7.115 1.00 0.40 N ATOM 983 CA SER A 62 -1.652 3.018 -5.735 1.00 0.46 C ATOM 984 C SER A 62 -2.932 2.971 -4.896 1.00 0.47 C ATOM 985 O SER A 62 -3.060 2.128 -4.016 1.00 0.70 O ATOM 986 CB SER A 62 -1.011 4.411 -5.682 1.00 0.53 C ATOM 987 OG SER A 62 -0.477 4.688 -4.398 1.00 0.80 O ATOM 0 H SER A 62 -2.814 3.001 -7.483 1.00 0.40 H new ATOM 0 HA SER A 62 -0.942 2.306 -5.315 1.00 0.46 H new ATOM 0 HB2 SER A 62 -0.220 4.477 -6.429 1.00 0.53 H new ATOM 0 HB3 SER A 62 -1.755 5.165 -5.938 1.00 0.53 H new ATOM 0 HG SER A 62 0.292 5.288 -4.486 1.00 0.80 H new ATOM 993 N VAL A 63 -3.864 3.884 -5.164 1.00 0.38 N ATOM 994 CA VAL A 63 -5.192 3.867 -4.534 1.00 0.37 C ATOM 995 C VAL A 63 -6.195 4.650 -5.360 1.00 0.40 C ATOM 996 O VAL A 63 -5.824 5.457 -6.212 1.00 0.52 O ATOM 997 CB VAL A 63 -5.205 4.463 -3.107 1.00 0.53 C ATOM 998 CG1 VAL A 63 -4.969 3.392 -2.056 1.00 0.83 C ATOM 999 CG2 VAL A 63 -4.183 5.573 -2.977 1.00 0.78 C ATOM 0 H VAL A 63 -3.726 4.654 -5.819 1.00 0.38 H new ATOM 0 HA VAL A 63 -5.462 2.813 -4.476 1.00 0.37 H new ATOM 0 HB VAL A 63 -6.195 4.885 -2.936 1.00 0.53 H new ATOM 0 HG11 VAL A 63 -4.984 3.845 -1.065 1.00 0.83 H new ATOM 0 HG12 VAL A 63 -5.753 2.638 -2.122 1.00 0.83 H new ATOM 0 HG13 VAL A 63 -4.000 2.923 -2.226 1.00 0.83 H new ATOM 0 HG21 VAL A 63 -4.211 5.977 -1.965 1.00 0.78 H new ATOM 0 HG22 VAL A 63 -3.188 5.178 -3.183 1.00 0.78 H new ATOM 0 HG23 VAL A 63 -4.413 6.365 -3.690 1.00 0.78 H new ATOM 1009 N ARG A 64 -7.469 4.393 -5.111 1.00 0.36 N ATOM 1010 CA ARG A 64 -8.535 5.199 -5.676 1.00 0.40 C ATOM 1011 C ARG A 64 -8.678 6.448 -4.823 1.00 0.40 C ATOM 1012 O ARG A 64 -8.257 6.438 -3.672 1.00 0.40 O ATOM 1013 CB ARG A 64 -9.851 4.410 -5.703 1.00 0.41 C ATOM 1014 CG ARG A 64 -10.343 3.970 -4.331 1.00 0.36 C ATOM 1015 CD ARG A 64 -11.651 3.198 -4.426 1.00 0.45 C ATOM 1016 NE ARG A 64 -12.741 4.017 -4.957 1.00 1.05 N ATOM 1017 CZ ARG A 64 -13.772 3.531 -5.652 1.00 1.39 C ATOM 1018 NH1 ARG A 64 -13.840 2.242 -5.946 1.00 1.63 N ATOM 1019 NH2 ARG A 64 -14.735 4.342 -6.062 1.00 2.05 N ATOM 0 H ARG A 64 -7.789 3.628 -4.518 1.00 0.36 H new ATOM 0 HA ARG A 64 -8.296 5.472 -6.704 1.00 0.40 H new ATOM 0 HB2 ARG A 64 -10.620 5.023 -6.173 1.00 0.41 H new ATOM 0 HB3 ARG A 64 -9.720 3.528 -6.330 1.00 0.41 H new ATOM 0 HG2 ARG A 64 -9.586 3.347 -3.855 1.00 0.36 H new ATOM 0 HG3 ARG A 64 -10.481 4.845 -3.696 1.00 0.36 H new ATOM 0 HD2 ARG A 64 -11.510 2.326 -5.065 1.00 0.45 H new ATOM 0 HD3 ARG A 64 -11.925 2.829 -3.438 1.00 0.45 H new ATOM 0 HE ARG A 64 -12.711 5.022 -4.785 1.00 1.05 H new ATOM 0 HH11 ARG A 64 -13.100 1.610 -5.641 1.00 1.63 H new ATOM 0 HH12 ARG A 64 -14.632 1.881 -6.478 1.00 1.63 H new ATOM 0 HH21 ARG A 64 -14.689 5.338 -5.847 1.00 2.05 H new ATOM 0 HH22 ARG A 64 -15.523 3.971 -6.593 1.00 2.05 H new ATOM 1033 N PRO A 65 -9.273 7.527 -5.352 1.00 0.49 N ATOM 1034 CA PRO A 65 -9.435 8.778 -4.600 1.00 0.53 C ATOM 1035 C PRO A 65 -10.172 8.565 -3.279 1.00 0.44 C ATOM 1036 O PRO A 65 -10.092 9.382 -2.363 1.00 0.51 O ATOM 1037 CB PRO A 65 -10.265 9.665 -5.527 1.00 0.65 C ATOM 1038 CG PRO A 65 -10.115 9.080 -6.889 1.00 0.72 C ATOM 1039 CD PRO A 65 -9.833 7.615 -6.710 1.00 0.61 C ATOM 0 HA PRO A 65 -8.471 9.211 -4.333 1.00 0.53 H new ATOM 0 HB2 PRO A 65 -11.311 9.680 -5.221 1.00 0.65 H new ATOM 0 HB3 PRO A 65 -9.911 10.696 -5.503 1.00 0.65 H new ATOM 0 HG2 PRO A 65 -11.022 9.229 -7.475 1.00 0.72 H new ATOM 0 HG3 PRO A 65 -9.303 9.566 -7.430 1.00 0.72 H new ATOM 0 HD2 PRO A 65 -10.740 7.018 -6.808 1.00 0.61 H new ATOM 0 HD3 PRO A 65 -9.129 7.249 -7.457 1.00 0.61 H new ATOM 1047 N GLY A 66 -10.894 7.454 -3.206 1.00 0.35 N ATOM 1048 CA GLY A 66 -11.621 7.096 -2.012 1.00 0.32 C ATOM 1049 C GLY A 66 -10.723 6.621 -0.880 1.00 0.25 C ATOM 1050 O GLY A 66 -11.002 6.881 0.288 1.00 0.27 O ATOM 0 H GLY A 66 -10.987 6.785 -3.971 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -12.196 7.958 -1.673 1.00 0.32 H new ATOM 0 HA3 GLY A 66 -12.337 6.310 -2.253 1.00 0.32 H new ATOM 1054 N ILE A 67 -9.664 5.895 -1.210 1.00 0.28 N ATOM 1055 CA ILE A 67 -8.709 5.458 -0.204 1.00 0.23 C ATOM 1056 C ILE A 67 -7.423 6.266 -0.287 1.00 0.24 C ATOM 1057 O ILE A 67 -6.823 6.399 -1.349 1.00 0.32 O ATOM 1058 CB ILE A 67 -8.388 3.962 -0.347 1.00 0.25 C ATOM 1059 CG1 ILE A 67 -9.688 3.164 -0.331 1.00 0.32 C ATOM 1060 CG2 ILE A 67 -7.456 3.493 0.761 1.00 0.21 C ATOM 1061 CD1 ILE A 67 -9.487 1.668 -0.307 1.00 0.34 C ATOM 0 H ILE A 67 -9.446 5.598 -2.161 1.00 0.28 H new ATOM 0 HA ILE A 67 -9.170 5.623 0.770 1.00 0.23 H new ATOM 0 HB ILE A 67 -7.876 3.800 -1.296 1.00 0.25 H new ATOM 0 HG12 ILE A 67 -10.272 3.456 0.542 1.00 0.32 H new ATOM 0 HG13 ILE A 67 -10.276 3.428 -1.210 1.00 0.32 H new ATOM 0 HG21 ILE A 67 -7.246 2.431 0.635 1.00 0.21 H new ATOM 0 HG22 ILE A 67 -6.523 4.055 0.714 1.00 0.21 H new ATOM 0 HG23 ILE A 67 -7.930 3.656 1.729 1.00 0.21 H new ATOM 0 HD11 ILE A 67 -10.457 1.171 -0.297 1.00 0.34 H new ATOM 0 HD12 ILE A 67 -8.931 1.361 -1.193 1.00 0.34 H new ATOM 0 HD13 ILE A 67 -8.927 1.390 0.586 1.00 0.34 H new ATOM 1073 N LEU A 68 -7.016 6.805 0.839 1.00 0.23 N ATOM 1074 CA LEU A 68 -5.805 7.602 0.914 1.00 0.29 C ATOM 1075 C LEU A 68 -4.637 6.732 1.368 1.00 0.28 C ATOM 1076 O LEU A 68 -4.815 5.841 2.195 1.00 0.41 O ATOM 1077 CB LEU A 68 -6.002 8.760 1.899 1.00 0.37 C ATOM 1078 CG LEU A 68 -7.289 9.574 1.711 1.00 0.40 C ATOM 1079 CD1 LEU A 68 -7.361 10.698 2.734 1.00 0.50 C ATOM 1080 CD2 LEU A 68 -7.379 10.130 0.299 1.00 0.44 C ATOM 0 H LEU A 68 -7.509 6.707 1.726 1.00 0.23 H new ATOM 0 HA LEU A 68 -5.586 8.007 -0.074 1.00 0.29 H new ATOM 0 HB2 LEU A 68 -5.991 8.358 2.912 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -5.150 9.435 1.815 1.00 0.37 H new ATOM 0 HG LEU A 68 -8.138 8.908 1.866 1.00 0.40 H new ATOM 0 HD11 LEU A 68 -8.280 11.266 2.587 1.00 0.50 H new ATOM 0 HD12 LEU A 68 -7.352 10.276 3.739 1.00 0.50 H new ATOM 0 HD13 LEU A 68 -6.503 11.358 2.610 1.00 0.50 H new ATOM 0 HD21 LEU A 68 -8.300 10.703 0.192 1.00 0.44 H new ATOM 0 HD22 LEU A 68 -6.524 10.779 0.108 1.00 0.44 H new ATOM 0 HD23 LEU A 68 -7.378 9.308 -0.417 1.00 0.44 H new ATOM 1092 N VAL A 69 -3.455 6.974 0.819 1.00 0.25 N ATOM 1093 CA VAL A 69 -2.263 6.247 1.238 1.00 0.27 C ATOM 1094 C VAL A 69 -1.261 7.178 1.890 1.00 0.19 C ATOM 1095 O VAL A 69 -0.866 8.191 1.319 1.00 0.21 O ATOM 1096 CB VAL A 69 -1.575 5.511 0.067 1.00 0.44 C ATOM 1097 CG1 VAL A 69 -0.139 5.136 0.412 1.00 1.05 C ATOM 1098 CG2 VAL A 69 -2.350 4.265 -0.291 1.00 0.81 C ATOM 0 H VAL A 69 -3.295 7.665 0.086 1.00 0.25 H new ATOM 0 HA VAL A 69 -2.601 5.502 1.958 1.00 0.27 H new ATOM 0 HB VAL A 69 -1.557 6.189 -0.786 1.00 0.44 H new ATOM 0 HG11 VAL A 69 0.315 4.620 -0.434 1.00 1.05 H new ATOM 0 HG12 VAL A 69 0.430 6.039 0.634 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -0.133 4.480 1.283 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -1.856 3.754 -1.118 1.00 0.81 H new ATOM 0 HG22 VAL A 69 -2.391 3.602 0.573 1.00 0.81 H new ATOM 0 HG23 VAL A 69 -3.363 4.539 -0.587 1.00 0.81 H new ATOM 1108 N LEU A 70 -0.861 6.837 3.091 1.00 0.18 N ATOM 1109 CA LEU A 70 0.218 7.540 3.738 1.00 0.16 C ATOM 1110 C LEU A 70 1.531 6.876 3.377 1.00 0.15 C ATOM 1111 O LEU A 70 1.732 5.702 3.669 1.00 0.19 O ATOM 1112 CB LEU A 70 0.045 7.542 5.260 1.00 0.22 C ATOM 1113 CG LEU A 70 -1.199 8.264 5.779 1.00 0.36 C ATOM 1114 CD1 LEU A 70 -1.237 8.224 7.299 1.00 0.95 C ATOM 1115 CD2 LEU A 70 -1.225 9.701 5.284 1.00 0.90 C ATOM 0 H LEU A 70 -1.266 6.078 3.639 1.00 0.18 H new ATOM 0 HA LEU A 70 0.212 8.575 3.395 1.00 0.16 H new ATOM 0 HB2 LEU A 70 0.015 6.509 5.606 1.00 0.22 H new ATOM 0 HB3 LEU A 70 0.925 8.003 5.708 1.00 0.22 H new ATOM 0 HG LEU A 70 -2.082 7.752 5.396 1.00 0.36 H new ATOM 0 HD11 LEU A 70 -2.128 8.742 7.654 1.00 0.95 H new ATOM 0 HD12 LEU A 70 -1.261 7.187 7.635 1.00 0.95 H new ATOM 0 HD13 LEU A 70 -0.349 8.714 7.698 1.00 0.95 H new ATOM 0 HD21 LEU A 70 -2.117 10.200 5.663 1.00 0.90 H new ATOM 0 HD22 LEU A 70 -0.338 10.224 5.640 1.00 0.90 H new ATOM 0 HD23 LEU A 70 -1.239 9.710 4.194 1.00 0.90 H new ATOM 1127 N ILE A 71 2.400 7.599 2.698 1.00 0.14 N ATOM 1128 CA ILE A 71 3.756 7.123 2.511 1.00 0.17 C ATOM 1129 C ILE A 71 4.556 7.576 3.708 1.00 0.20 C ATOM 1130 O ILE A 71 4.768 8.776 3.894 1.00 0.24 O ATOM 1131 CB ILE A 71 4.429 7.647 1.224 1.00 0.20 C ATOM 1132 CG1 ILE A 71 3.610 7.287 -0.017 1.00 0.18 C ATOM 1133 CG2 ILE A 71 5.843 7.085 1.103 1.00 0.28 C ATOM 1134 CD1 ILE A 71 3.562 5.808 -0.328 1.00 0.20 C ATOM 0 H ILE A 71 2.196 8.504 2.273 1.00 0.14 H new ATOM 0 HA ILE A 71 3.722 6.038 2.412 1.00 0.17 H new ATOM 0 HB ILE A 71 4.481 8.734 1.290 1.00 0.20 H new ATOM 0 HG12 ILE A 71 2.591 7.651 0.117 1.00 0.18 H new ATOM 0 HG13 ILE A 71 4.026 7.813 -0.876 1.00 0.18 H new ATOM 0 HG21 ILE A 71 6.307 7.462 0.192 1.00 0.28 H new ATOM 0 HG22 ILE A 71 6.433 7.395 1.966 1.00 0.28 H new ATOM 0 HG23 ILE A 71 5.800 5.997 1.065 1.00 0.28 H new ATOM 0 HD11 ILE A 71 2.961 5.644 -1.222 1.00 0.20 H new ATOM 0 HD12 ILE A 71 4.573 5.439 -0.498 1.00 0.20 H new ATOM 0 HD13 ILE A 71 3.117 5.274 0.511 1.00 0.20 H new ATOM 1146 N ASN A 72 4.912 6.618 4.553 1.00 0.22 N ATOM 1147 CA ASN A 72 5.609 6.879 5.812 1.00 0.28 C ATOM 1148 C ASN A 72 4.615 7.399 6.819 1.00 0.27 C ATOM 1149 O ASN A 72 4.422 6.789 7.864 1.00 0.31 O ATOM 1150 CB ASN A 72 6.775 7.868 5.665 1.00 0.41 C ATOM 1151 CG ASN A 72 7.782 7.431 4.638 1.00 1.04 C ATOM 1152 OD1 ASN A 72 7.681 7.770 3.465 1.00 1.94 O ATOM 1153 ND2 ASN A 72 8.773 6.690 5.075 1.00 1.33 N ATOM 0 H ASN A 72 4.725 5.629 4.386 1.00 0.22 H new ATOM 0 HA ASN A 72 6.046 5.938 6.147 1.00 0.28 H new ATOM 0 HB2 ASN A 72 6.383 8.847 5.389 1.00 0.41 H new ATOM 0 HB3 ASN A 72 7.272 7.983 6.628 1.00 0.41 H new ATOM 0 HD21 ASN A 72 9.497 6.374 4.429 1.00 1.33 H new ATOM 0 HD22 ASN A 72 8.819 6.430 6.060 1.00 1.33 H new ATOM 1160 N ASP A 73 3.987 8.519 6.465 1.00 0.26 N ATOM 1161 CA ASP A 73 2.912 9.129 7.249 1.00 0.29 C ATOM 1162 C ASP A 73 2.427 10.406 6.547 1.00 0.28 C ATOM 1163 O ASP A 73 1.846 11.294 7.168 1.00 0.36 O ATOM 1164 CB ASP A 73 3.401 9.453 8.670 1.00 0.36 C ATOM 1165 CG ASP A 73 2.280 9.857 9.613 1.00 0.62 C ATOM 1166 OD1 ASP A 73 1.484 8.981 10.008 1.00 1.03 O ATOM 1167 OD2 ASP A 73 2.169 11.060 9.940 1.00 0.65 O ATOM 0 H ASP A 73 4.213 9.036 5.615 1.00 0.26 H new ATOM 0 HA ASP A 73 2.083 8.425 7.326 1.00 0.29 H new ATOM 0 HB2 ASP A 73 3.914 8.582 9.078 1.00 0.36 H new ATOM 0 HB3 ASP A 73 4.133 10.259 8.620 1.00 0.36 H new ATOM 1172 N ALA A 74 2.645 10.487 5.234 1.00 0.27 N ATOM 1173 CA ALA A 74 2.336 11.710 4.491 1.00 0.29 C ATOM 1174 C ALA A 74 1.603 11.424 3.177 1.00 0.25 C ATOM 1175 O ALA A 74 1.452 10.268 2.779 1.00 0.20 O ATOM 1176 CB ALA A 74 3.614 12.489 4.220 1.00 0.33 C ATOM 0 H ALA A 74 3.030 9.730 4.668 1.00 0.27 H new ATOM 0 HA ALA A 74 1.666 12.307 5.110 1.00 0.29 H new ATOM 0 HB1 ALA A 74 3.376 13.398 3.667 1.00 0.33 H new ATOM 0 HB2 ALA A 74 4.086 12.753 5.166 1.00 0.33 H new ATOM 0 HB3 ALA A 74 4.297 11.875 3.633 1.00 0.33 H new ATOM 1182 N ASP A 75 1.167 12.498 2.507 1.00 0.30 N ATOM 1183 CA ASP A 75 0.395 12.405 1.258 1.00 0.29 C ATOM 1184 C ASP A 75 1.189 11.757 0.133 1.00 0.23 C ATOM 1185 O ASP A 75 2.036 12.391 -0.490 1.00 0.24 O ATOM 1186 CB ASP A 75 -0.069 13.790 0.798 1.00 0.36 C ATOM 1187 CG ASP A 75 -1.286 14.291 1.549 1.00 0.47 C ATOM 1188 OD1 ASP A 75 -1.123 14.818 2.669 1.00 0.62 O ATOM 1189 OD2 ASP A 75 -2.411 14.167 1.017 1.00 0.61 O ATOM 0 H ASP A 75 1.338 13.456 2.814 1.00 0.30 H new ATOM 0 HA ASP A 75 -0.468 11.776 1.479 1.00 0.29 H new ATOM 0 HB2 ASP A 75 0.747 14.501 0.926 1.00 0.36 H new ATOM 0 HB3 ASP A 75 -0.296 13.755 -0.267 1.00 0.36 H new ATOM 1194 N TRP A 76 0.869 10.500 -0.130 1.00 0.21 N ATOM 1195 CA TRP A 76 1.518 9.691 -1.157 1.00 0.17 C ATOM 1196 C TRP A 76 1.655 10.403 -2.505 1.00 0.16 C ATOM 1197 O TRP A 76 2.742 10.403 -3.086 1.00 0.14 O ATOM 1198 CB TRP A 76 0.748 8.363 -1.300 1.00 0.20 C ATOM 1199 CG TRP A 76 -0.648 8.442 -1.890 1.00 0.22 C ATOM 1200 CD1 TRP A 76 -1.098 7.709 -2.944 1.00 0.28 C ATOM 1201 CD2 TRP A 76 -1.774 9.248 -1.468 1.00 0.25 C ATOM 1202 NE1 TRP A 76 -2.397 8.022 -3.231 1.00 0.33 N ATOM 1203 CE2 TRP A 76 -2.842 8.950 -2.338 1.00 0.30 C ATOM 1204 CE3 TRP A 76 -1.992 10.191 -0.455 1.00 0.27 C ATOM 1205 CZ2 TRP A 76 -4.091 9.554 -2.227 1.00 0.34 C ATOM 1206 CZ3 TRP A 76 -3.231 10.787 -0.347 1.00 0.32 C ATOM 1207 CH2 TRP A 76 -4.267 10.465 -1.227 1.00 0.34 C ATOM 0 H TRP A 76 0.136 10.001 0.373 1.00 0.21 H new ATOM 0 HA TRP A 76 2.542 9.502 -0.834 1.00 0.17 H new ATOM 0 HB2 TRP A 76 1.341 7.691 -1.920 1.00 0.20 H new ATOM 0 HB3 TRP A 76 0.675 7.905 -0.314 1.00 0.20 H new ATOM 0 HD1 TRP A 76 -0.509 6.980 -3.480 1.00 0.28 H new ATOM 0 HE1 TRP A 76 -2.946 7.624 -3.993 1.00 0.33 H new ATOM 0 HE3 TRP A 76 -1.200 10.448 0.233 1.00 0.27 H new ATOM 0 HZ2 TRP A 76 -4.893 9.310 -2.908 1.00 0.34 H new ATOM 0 HZ3 TRP A 76 -3.403 11.515 0.432 1.00 0.32 H new ATOM 0 HH2 TRP A 76 -5.227 10.947 -1.113 1.00 0.34 H new ATOM 1218 N GLU A 77 0.579 11.010 -2.991 1.00 0.19 N ATOM 1219 CA GLU A 77 0.592 11.673 -4.302 1.00 0.21 C ATOM 1220 C GLU A 77 1.700 12.713 -4.367 1.00 0.21 C ATOM 1221 O GLU A 77 2.369 12.876 -5.386 1.00 0.27 O ATOM 1222 CB GLU A 77 -0.741 12.383 -4.553 1.00 0.28 C ATOM 1223 CG GLU A 77 -1.966 11.555 -4.218 1.00 0.49 C ATOM 1224 CD GLU A 77 -3.251 12.355 -4.303 1.00 0.52 C ATOM 1225 OE1 GLU A 77 -3.522 13.153 -3.382 1.00 0.74 O ATOM 1226 OE2 GLU A 77 -3.993 12.191 -5.297 1.00 0.82 O ATOM 0 H GLU A 77 -0.315 11.060 -2.503 1.00 0.19 H new ATOM 0 HA GLU A 77 0.759 10.906 -5.058 1.00 0.21 H new ATOM 0 HB2 GLU A 77 -0.766 13.300 -3.965 1.00 0.28 H new ATOM 0 HB3 GLU A 77 -0.791 12.675 -5.602 1.00 0.28 H new ATOM 0 HG2 GLU A 77 -2.024 10.707 -4.900 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -1.861 11.148 -3.212 1.00 0.49 H new ATOM 1233 N LEU A 78 1.892 13.401 -3.255 1.00 0.24 N ATOM 1234 CA LEU A 78 2.837 14.495 -3.179 1.00 0.29 C ATOM 1235 C LEU A 78 4.227 13.990 -2.814 1.00 0.25 C ATOM 1236 O LEU A 78 5.163 14.779 -2.679 1.00 0.35 O ATOM 1237 CB LEU A 78 2.361 15.509 -2.136 1.00 0.47 C ATOM 1238 CG LEU A 78 0.976 16.106 -2.397 1.00 0.55 C ATOM 1239 CD1 LEU A 78 0.540 16.981 -1.232 1.00 1.12 C ATOM 1240 CD2 LEU A 78 0.979 16.907 -3.690 1.00 1.00 C ATOM 0 H LEU A 78 1.397 13.216 -2.383 1.00 0.24 H new ATOM 0 HA LEU A 78 2.895 14.973 -4.157 1.00 0.29 H new ATOM 0 HB2 LEU A 78 2.353 15.026 -1.159 1.00 0.47 H new ATOM 0 HB3 LEU A 78 3.086 16.321 -2.084 1.00 0.47 H new ATOM 0 HG LEU A 78 0.263 15.288 -2.496 1.00 0.55 H new ATOM 0 HD11 LEU A 78 -0.447 17.396 -1.438 1.00 1.12 H new ATOM 0 HD12 LEU A 78 0.500 16.382 -0.322 1.00 1.12 H new ATOM 0 HD13 LEU A 78 1.254 17.794 -1.100 1.00 1.12 H new ATOM 0 HD21 LEU A 78 -0.013 17.325 -3.861 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.706 17.716 -3.615 1.00 1.00 H new ATOM 0 HD23 LEU A 78 1.247 16.255 -4.521 1.00 1.00 H new ATOM 1252 N LEU A 79 4.358 12.679 -2.637 1.00 0.20 N ATOM 1253 CA LEU A 79 5.638 12.106 -2.245 1.00 0.20 C ATOM 1254 C LEU A 79 6.257 11.302 -3.383 1.00 0.20 C ATOM 1255 O LEU A 79 7.475 11.288 -3.554 1.00 0.22 O ATOM 1256 CB LEU A 79 5.462 11.175 -1.037 1.00 0.22 C ATOM 1257 CG LEU A 79 4.740 11.756 0.180 1.00 0.38 C ATOM 1258 CD1 LEU A 79 5.029 10.921 1.410 1.00 0.79 C ATOM 1259 CD2 LEU A 79 5.120 13.202 0.416 1.00 0.75 C ATOM 0 H LEU A 79 3.604 12.003 -2.757 1.00 0.20 H new ATOM 0 HA LEU A 79 6.297 12.936 -1.989 1.00 0.20 H new ATOM 0 HB2 LEU A 79 4.916 10.291 -1.366 1.00 0.22 H new ATOM 0 HB3 LEU A 79 6.449 10.840 -0.719 1.00 0.22 H new ATOM 0 HG LEU A 79 3.669 11.728 -0.022 1.00 0.38 H new ATOM 0 HD11 LEU A 79 4.509 11.346 2.269 1.00 0.79 H new ATOM 0 HD12 LEU A 79 4.684 9.900 1.246 1.00 0.79 H new ATOM 0 HD13 LEU A 79 6.102 10.915 1.602 1.00 0.79 H new ATOM 0 HD21 LEU A 79 4.587 13.580 1.289 1.00 0.75 H new ATOM 0 HD22 LEU A 79 6.194 13.273 0.588 1.00 0.75 H new ATOM 0 HD23 LEU A 79 4.852 13.796 -0.458 1.00 0.75 H new ATOM 1271 N GLY A 80 5.413 10.673 -4.187 1.00 0.20 N ATOM 1272 CA GLY A 80 5.908 9.788 -5.223 1.00 0.22 C ATOM 1273 C GLY A 80 4.915 8.697 -5.565 1.00 0.19 C ATOM 1274 O GLY A 80 4.895 8.204 -6.696 1.00 0.22 O ATOM 0 H GLY A 80 4.398 10.758 -4.142 1.00 0.20 H new ATOM 0 HA2 GLY A 80 6.131 10.368 -6.118 1.00 0.22 H new ATOM 0 HA3 GLY A 80 6.844 9.336 -4.895 1.00 0.22 H new ATOM 1278 N GLU A 81 4.093 8.320 -4.580 1.00 0.17 N ATOM 1279 CA GLU A 81 2.992 7.402 -4.794 1.00 0.20 C ATOM 1280 C GLU A 81 3.429 6.014 -5.272 1.00 0.16 C ATOM 1281 O GLU A 81 4.489 5.516 -4.899 1.00 0.17 O ATOM 1282 CB GLU A 81 2.029 8.038 -5.794 1.00 0.33 C ATOM 1283 CG GLU A 81 0.805 8.591 -5.158 1.00 0.48 C ATOM 1284 CD GLU A 81 -0.207 9.079 -6.177 1.00 0.38 C ATOM 1285 OE1 GLU A 81 0.091 10.047 -6.908 1.00 0.41 O ATOM 1286 OE2 GLU A 81 -1.312 8.497 -6.240 1.00 0.58 O ATOM 0 H GLU A 81 4.180 8.647 -3.618 1.00 0.17 H new ATOM 0 HA GLU A 81 2.506 7.233 -3.833 1.00 0.20 H new ATOM 0 HB2 GLU A 81 2.545 8.836 -6.328 1.00 0.33 H new ATOM 0 HB3 GLU A 81 1.740 7.293 -6.535 1.00 0.33 H new ATOM 0 HG2 GLU A 81 0.346 7.825 -4.533 1.00 0.48 H new ATOM 0 HG3 GLU A 81 1.081 9.416 -4.501 1.00 0.48 H new ATOM 1293 N LEU A 82 2.552 5.409 -6.074 1.00 0.16 N ATOM 1294 CA LEU A 82 2.698 4.058 -6.612 1.00 0.18 C ATOM 1295 C LEU A 82 4.135 3.702 -7.014 1.00 0.16 C ATOM 1296 O LEU A 82 4.641 2.644 -6.638 1.00 0.20 O ATOM 1297 CB LEU A 82 1.713 3.839 -7.791 1.00 0.24 C ATOM 1298 CG LEU A 82 1.830 4.720 -9.064 1.00 0.28 C ATOM 1299 CD1 LEU A 82 2.121 6.184 -8.750 1.00 1.06 C ATOM 1300 CD2 LEU A 82 2.851 4.149 -10.037 1.00 1.19 C ATOM 0 H LEU A 82 1.690 5.863 -6.377 1.00 0.16 H new ATOM 0 HA LEU A 82 2.447 3.374 -5.801 1.00 0.18 H new ATOM 0 HB2 LEU A 82 1.806 2.799 -8.105 1.00 0.24 H new ATOM 0 HB3 LEU A 82 0.703 3.964 -7.400 1.00 0.24 H new ATOM 0 HG LEU A 82 0.852 4.699 -9.545 1.00 0.28 H new ATOM 0 HD11 LEU A 82 2.191 6.748 -9.680 1.00 1.06 H new ATOM 0 HD12 LEU A 82 1.316 6.592 -8.138 1.00 1.06 H new ATOM 0 HD13 LEU A 82 3.063 6.259 -8.207 1.00 1.06 H new ATOM 0 HD21 LEU A 82 2.910 4.788 -10.918 1.00 1.19 H new ATOM 0 HD22 LEU A 82 3.828 4.104 -9.555 1.00 1.19 H new ATOM 0 HD23 LEU A 82 2.547 3.146 -10.336 1.00 1.19 H new ATOM 1312 N ASP A 83 4.801 4.578 -7.748 1.00 0.20 N ATOM 1313 CA ASP A 83 6.142 4.283 -8.235 1.00 0.24 C ATOM 1314 C ASP A 83 7.181 4.760 -7.232 1.00 0.26 C ATOM 1315 O ASP A 83 7.904 5.729 -7.458 1.00 0.56 O ATOM 1316 CB ASP A 83 6.367 4.924 -9.606 1.00 0.34 C ATOM 1317 CG ASP A 83 7.730 4.611 -10.184 1.00 1.21 C ATOM 1318 OD1 ASP A 83 8.061 3.416 -10.325 1.00 1.72 O ATOM 1319 OD2 ASP A 83 8.471 5.560 -10.524 1.00 2.00 O ATOM 0 H ASP A 83 4.440 5.493 -8.019 1.00 0.20 H new ATOM 0 HA ASP A 83 6.246 3.204 -8.348 1.00 0.24 H new ATOM 0 HB2 ASP A 83 5.597 4.577 -10.295 1.00 0.34 H new ATOM 0 HB3 ASP A 83 6.254 6.005 -9.520 1.00 0.34 H new ATOM 1324 N TYR A 84 7.207 4.097 -6.097 1.00 0.21 N ATOM 1325 CA TYR A 84 8.139 4.423 -5.047 1.00 0.19 C ATOM 1326 C TYR A 84 9.186 3.337 -4.904 1.00 0.21 C ATOM 1327 O TYR A 84 8.852 2.182 -4.677 1.00 0.33 O ATOM 1328 CB TYR A 84 7.394 4.603 -3.732 1.00 0.19 C ATOM 1329 CG TYR A 84 7.587 5.963 -3.126 1.00 0.19 C ATOM 1330 CD1 TYR A 84 8.857 6.453 -2.875 1.00 0.24 C ATOM 1331 CD2 TYR A 84 6.498 6.754 -2.806 1.00 0.19 C ATOM 1332 CE1 TYR A 84 9.037 7.699 -2.318 1.00 0.28 C ATOM 1333 CE2 TYR A 84 6.665 7.997 -2.244 1.00 0.21 C ATOM 1334 CZ TYR A 84 7.941 8.466 -1.999 1.00 0.25 C ATOM 1335 OH TYR A 84 8.124 9.695 -1.417 1.00 0.30 O ATOM 0 H TYR A 84 6.584 3.320 -5.879 1.00 0.21 H new ATOM 0 HA TYR A 84 8.642 5.355 -5.307 1.00 0.19 H new ATOM 0 HB2 TYR A 84 6.330 4.434 -3.898 1.00 0.19 H new ATOM 0 HB3 TYR A 84 7.731 3.846 -3.024 1.00 0.19 H new ATOM 0 HD1 TYR A 84 9.719 5.849 -3.120 1.00 0.24 H new ATOM 0 HD2 TYR A 84 5.501 6.389 -3.001 1.00 0.19 H new ATOM 0 HE1 TYR A 84 10.033 8.072 -2.133 1.00 0.28 H new ATOM 0 HE2 TYR A 84 5.806 8.602 -1.996 1.00 0.21 H new ATOM 0 HH TYR A 84 8.069 10.393 -2.103 1.00 0.30 H new ATOM 1345 N GLN A 85 10.452 3.718 -4.987 1.00 0.27 N ATOM 1346 CA GLN A 85 11.554 2.767 -4.831 1.00 0.28 C ATOM 1347 C GLN A 85 11.794 2.478 -3.348 1.00 0.24 C ATOM 1348 O GLN A 85 12.838 1.961 -2.963 1.00 0.28 O ATOM 1349 CB GLN A 85 12.842 3.295 -5.486 1.00 0.40 C ATOM 1350 CG GLN A 85 13.452 4.526 -4.818 1.00 0.70 C ATOM 1351 CD GLN A 85 12.680 5.803 -5.079 1.00 0.77 C ATOM 1352 OE1 GLN A 85 12.916 6.497 -6.063 1.00 1.74 O ATOM 1353 NE2 GLN A 85 11.760 6.131 -4.188 1.00 0.74 N ATOM 0 H GLN A 85 10.747 4.679 -5.162 1.00 0.27 H new ATOM 0 HA GLN A 85 11.276 1.841 -5.334 1.00 0.28 H new ATOM 0 HB2 GLN A 85 13.584 2.497 -5.487 1.00 0.40 H new ATOM 0 HB3 GLN A 85 12.629 3.534 -6.528 1.00 0.40 H new ATOM 0 HG2 GLN A 85 13.505 4.357 -3.743 1.00 0.70 H new ATOM 0 HG3 GLN A 85 14.475 4.651 -5.172 1.00 0.70 H new ATOM 0 HE21 GLN A 85 11.592 5.528 -3.382 1.00 0.74 H new ATOM 0 HE22 GLN A 85 11.218 6.987 -4.306 1.00 0.74 H new ATOM 1362 N LEU A 86 10.763 2.758 -2.554 1.00 0.22 N ATOM 1363 CA LEU A 86 10.798 2.690 -1.083 1.00 0.24 C ATOM 1364 C LEU A 86 11.893 3.577 -0.477 1.00 0.30 C ATOM 1365 O LEU A 86 12.903 3.876 -1.111 1.00 0.34 O ATOM 1366 CB LEU A 86 10.933 1.236 -0.608 1.00 0.25 C ATOM 1367 CG LEU A 86 9.805 0.302 -1.061 1.00 0.29 C ATOM 1368 CD1 LEU A 86 8.449 0.980 -0.923 1.00 0.75 C ATOM 1369 CD2 LEU A 86 10.044 -0.167 -2.487 1.00 0.86 C ATOM 0 H LEU A 86 9.855 3.046 -2.918 1.00 0.22 H new ATOM 0 HA LEU A 86 9.847 3.084 -0.723 1.00 0.24 H new ATOM 0 HB2 LEU A 86 11.882 0.838 -0.968 1.00 0.25 H new ATOM 0 HB3 LEU A 86 10.977 1.227 0.481 1.00 0.25 H new ATOM 0 HG LEU A 86 9.802 -0.574 -0.413 1.00 0.29 H new ATOM 0 HD11 LEU A 86 7.666 0.297 -1.251 1.00 0.75 H new ATOM 0 HD12 LEU A 86 8.282 1.250 0.120 1.00 0.75 H new ATOM 0 HD13 LEU A 86 8.427 1.879 -1.539 1.00 0.75 H new ATOM 0 HD21 LEU A 86 9.234 -0.829 -2.793 1.00 0.86 H new ATOM 0 HD22 LEU A 86 10.079 0.695 -3.153 1.00 0.86 H new ATOM 0 HD23 LEU A 86 10.991 -0.704 -2.539 1.00 0.86 H new ATOM 1381 N GLN A 87 11.666 4.039 0.746 1.00 0.39 N ATOM 1382 CA GLN A 87 12.625 4.907 1.412 1.00 0.51 C ATOM 1383 C GLN A 87 13.249 4.225 2.606 1.00 0.76 C ATOM 1384 O GLN A 87 14.407 3.811 2.535 1.00 1.74 O ATOM 1385 CB GLN A 87 11.968 6.235 1.798 1.00 0.46 C ATOM 1386 CG GLN A 87 11.321 6.941 0.614 1.00 0.86 C ATOM 1387 CD GLN A 87 9.803 6.988 0.692 1.00 0.65 C ATOM 1388 OE1 GLN A 87 9.230 7.955 1.183 1.00 1.18 O ATOM 1389 NE2 GLN A 87 9.143 5.940 0.213 1.00 0.48 N ATOM 0 H GLN A 87 10.831 3.828 1.293 1.00 0.39 H new ATOM 0 HA GLN A 87 13.432 5.123 0.712 1.00 0.51 H new ATOM 0 HB2 GLN A 87 11.213 6.053 2.563 1.00 0.46 H new ATOM 0 HB3 GLN A 87 12.718 6.891 2.240 1.00 0.46 H new ATOM 0 HG2 GLN A 87 11.706 7.959 0.554 1.00 0.86 H new ATOM 0 HG3 GLN A 87 11.614 6.434 -0.306 1.00 0.86 H new ATOM 0 HE21 GLN A 87 9.655 5.154 -0.188 1.00 0.48 H new ATOM 0 HE22 GLN A 87 8.124 5.921 0.246 1.00 0.48 H new ATOM 1398 N ASP A 88 12.497 4.113 3.684 1.00 0.43 N ATOM 1399 CA ASP A 88 12.927 3.375 4.860 1.00 0.40 C ATOM 1400 C ASP A 88 11.930 3.600 5.992 1.00 0.32 C ATOM 1401 O ASP A 88 11.611 4.750 6.308 1.00 0.36 O ATOM 1402 CB ASP A 88 14.333 3.788 5.316 1.00 0.56 C ATOM 1403 CG ASP A 88 14.796 3.022 6.537 1.00 1.40 C ATOM 1404 OD1 ASP A 88 14.812 1.776 6.494 1.00 2.44 O ATOM 1405 OD2 ASP A 88 15.150 3.665 7.544 1.00 1.53 O ATOM 0 H ASP A 88 11.570 4.530 3.771 1.00 0.43 H new ATOM 0 HA ASP A 88 12.965 2.318 4.597 1.00 0.40 H new ATOM 0 HB2 ASP A 88 15.038 3.626 4.501 1.00 0.56 H new ATOM 0 HB3 ASP A 88 14.341 4.855 5.536 1.00 0.56 H new ATOM 1410 N GLN A 89 11.453 2.513 6.610 1.00 0.31 N ATOM 1411 CA GLN A 89 10.373 2.578 7.594 1.00 0.34 C ATOM 1412 C GLN A 89 9.181 3.352 7.060 1.00 0.34 C ATOM 1413 O GLN A 89 8.491 4.055 7.799 1.00 0.42 O ATOM 1414 CB GLN A 89 10.856 3.167 8.917 1.00 0.40 C ATOM 1415 CG GLN A 89 11.476 2.125 9.827 1.00 0.62 C ATOM 1416 CD GLN A 89 12.881 1.740 9.426 1.00 0.77 C ATOM 1417 OE1 GLN A 89 13.856 2.342 9.873 1.00 1.56 O ATOM 1418 NE2 GLN A 89 12.993 0.717 8.596 1.00 0.71 N ATOM 0 H GLN A 89 11.804 1.570 6.442 1.00 0.31 H new ATOM 0 HA GLN A 89 10.049 1.555 7.784 1.00 0.34 H new ATOM 0 HB2 GLN A 89 11.587 3.950 8.716 1.00 0.40 H new ATOM 0 HB3 GLN A 89 10.017 3.638 9.429 1.00 0.40 H new ATOM 0 HG2 GLN A 89 11.489 2.506 10.848 1.00 0.62 H new ATOM 0 HG3 GLN A 89 10.849 1.234 9.827 1.00 0.62 H new ATOM 0 HE21 GLN A 89 12.156 0.247 8.250 1.00 0.71 H new ATOM 0 HE22 GLN A 89 13.916 0.398 8.302 1.00 0.71 H new ATOM 1427 N ASP A 90 8.939 3.199 5.769 1.00 0.30 N ATOM 1428 CA ASP A 90 7.791 3.809 5.132 1.00 0.34 C ATOM 1429 C ASP A 90 6.532 3.131 5.636 1.00 0.32 C ATOM 1430 O ASP A 90 6.278 1.970 5.300 1.00 0.45 O ATOM 1431 CB ASP A 90 7.867 3.660 3.606 1.00 0.45 C ATOM 1432 CG ASP A 90 9.225 3.970 3.029 1.00 0.75 C ATOM 1433 OD1 ASP A 90 9.924 4.814 3.616 1.00 1.17 O ATOM 1434 OD2 ASP A 90 9.606 3.370 2.005 1.00 1.06 O ATOM 0 H ASP A 90 9.528 2.653 5.140 1.00 0.30 H new ATOM 0 HA ASP A 90 7.778 4.871 5.376 1.00 0.34 H new ATOM 0 HB2 ASP A 90 7.593 2.640 3.336 1.00 0.45 H new ATOM 0 HB3 ASP A 90 7.130 4.320 3.149 1.00 0.45 H new ATOM 1439 N SER A 91 5.755 3.815 6.466 1.00 0.23 N ATOM 1440 CA SER A 91 4.531 3.264 6.935 1.00 0.21 C ATOM 1441 C SER A 91 3.455 3.554 5.916 1.00 0.17 C ATOM 1442 O SER A 91 2.899 4.648 5.876 1.00 0.17 O ATOM 1443 CB SER A 91 4.196 3.890 8.271 1.00 0.25 C ATOM 1444 OG SER A 91 5.266 3.737 9.190 1.00 1.14 O ATOM 0 H SER A 91 5.967 4.749 6.817 1.00 0.23 H new ATOM 0 HA SER A 91 4.610 2.185 7.067 1.00 0.21 H new ATOM 0 HB2 SER A 91 3.978 4.949 8.135 1.00 0.25 H new ATOM 0 HB3 SER A 91 3.296 3.429 8.677 1.00 0.25 H new ATOM 0 HG SER A 91 5.025 4.151 10.045 1.00 1.14 H new ATOM 1450 N ILE A 92 3.208 2.587 5.063 1.00 0.17 N ATOM 1451 CA ILE A 92 2.260 2.756 3.988 1.00 0.15 C ATOM 1452 C ILE A 92 0.886 2.322 4.470 1.00 0.14 C ATOM 1453 O ILE A 92 0.626 1.130 4.651 1.00 0.17 O ATOM 1454 CB ILE A 92 2.664 1.934 2.743 1.00 0.17 C ATOM 1455 CG1 ILE A 92 4.174 2.056 2.469 1.00 0.19 C ATOM 1456 CG2 ILE A 92 1.869 2.384 1.526 1.00 0.19 C ATOM 1457 CD1 ILE A 92 4.671 3.481 2.295 1.00 0.21 C ATOM 0 H ILE A 92 3.654 1.670 5.094 1.00 0.17 H new ATOM 0 HA ILE A 92 2.244 3.807 3.699 1.00 0.15 H new ATOM 0 HB ILE A 92 2.436 0.887 2.942 1.00 0.17 H new ATOM 0 HG12 ILE A 92 4.718 1.593 3.292 1.00 0.19 H new ATOM 0 HG13 ILE A 92 4.414 1.489 1.570 1.00 0.19 H new ATOM 0 HG21 ILE A 92 2.166 1.795 0.659 1.00 0.19 H new ATOM 0 HG22 ILE A 92 0.805 2.242 1.714 1.00 0.19 H new ATOM 0 HG23 ILE A 92 2.066 3.439 1.333 1.00 0.19 H new ATOM 0 HD11 ILE A 92 5.744 3.471 2.106 1.00 0.21 H new ATOM 0 HD12 ILE A 92 4.158 3.945 1.452 1.00 0.21 H new ATOM 0 HD13 ILE A 92 4.467 4.051 3.202 1.00 0.21 H new ATOM 1469 N LEU A 93 0.019 3.291 4.694 1.00 0.13 N ATOM 1470 CA LEU A 93 -1.284 3.011 5.268 1.00 0.14 C ATOM 1471 C LEU A 93 -2.387 3.341 4.278 1.00 0.14 C ATOM 1472 O LEU A 93 -2.421 4.435 3.717 1.00 0.19 O ATOM 1473 CB LEU A 93 -1.490 3.828 6.547 1.00 0.18 C ATOM 1474 CG LEU A 93 -2.194 3.087 7.690 1.00 0.32 C ATOM 1475 CD1 LEU A 93 -2.604 4.055 8.781 1.00 0.63 C ATOM 1476 CD2 LEU A 93 -3.405 2.327 7.183 1.00 0.56 C ATOM 0 H LEU A 93 0.192 4.275 4.488 1.00 0.13 H new ATOM 0 HA LEU A 93 -1.326 1.948 5.507 1.00 0.14 H new ATOM 0 HB2 LEU A 93 -0.517 4.169 6.901 1.00 0.18 H new ATOM 0 HB3 LEU A 93 -2.070 4.718 6.301 1.00 0.18 H new ATOM 0 HG LEU A 93 -1.488 2.368 8.106 1.00 0.32 H new ATOM 0 HD11 LEU A 93 -3.102 3.510 9.583 1.00 0.63 H new ATOM 0 HD12 LEU A 93 -1.719 4.554 9.176 1.00 0.63 H new ATOM 0 HD13 LEU A 93 -3.286 4.799 8.370 1.00 0.63 H new ATOM 0 HD21 LEU A 93 -3.885 1.811 8.014 1.00 0.56 H new ATOM 0 HD22 LEU A 93 -4.111 3.025 6.733 1.00 0.56 H new ATOM 0 HD23 LEU A 93 -3.091 1.598 6.436 1.00 0.56 H new ATOM 1488 N PHE A 94 -3.280 2.386 4.072 1.00 0.13 N ATOM 1489 CA PHE A 94 -4.449 2.604 3.244 1.00 0.14 C ATOM 1490 C PHE A 94 -5.625 3.030 4.121 1.00 0.13 C ATOM 1491 O PHE A 94 -6.110 2.260 4.958 1.00 0.15 O ATOM 1492 CB PHE A 94 -4.790 1.326 2.470 1.00 0.18 C ATOM 1493 CG PHE A 94 -3.698 0.881 1.534 1.00 0.21 C ATOM 1494 CD1 PHE A 94 -2.516 0.349 2.023 1.00 0.27 C ATOM 1495 CD2 PHE A 94 -3.853 1.007 0.166 1.00 0.26 C ATOM 1496 CE1 PHE A 94 -1.511 -0.049 1.165 1.00 0.32 C ATOM 1497 CE2 PHE A 94 -2.850 0.611 -0.699 1.00 0.31 C ATOM 1498 CZ PHE A 94 -1.677 0.082 -0.200 1.00 0.33 C ATOM 0 H PHE A 94 -3.214 1.449 4.470 1.00 0.13 H new ATOM 0 HA PHE A 94 -4.241 3.396 2.525 1.00 0.14 H new ATOM 0 HB2 PHE A 94 -4.998 0.525 3.180 1.00 0.18 H new ATOM 0 HB3 PHE A 94 -5.703 1.490 1.898 1.00 0.18 H new ATOM 0 HD1 PHE A 94 -2.379 0.244 3.089 1.00 0.27 H new ATOM 0 HD2 PHE A 94 -4.768 1.420 -0.232 1.00 0.26 H new ATOM 0 HE1 PHE A 94 -0.595 -0.463 1.561 1.00 0.32 H new ATOM 0 HE2 PHE A 94 -2.984 0.716 -1.765 1.00 0.31 H new ATOM 0 HZ PHE A 94 -0.892 -0.228 -0.874 1.00 0.33 H new ATOM 1508 N ILE A 95 -6.079 4.255 3.920 1.00 0.13 N ATOM 1509 CA ILE A 95 -7.149 4.826 4.717 1.00 0.17 C ATOM 1510 C ILE A 95 -8.345 5.158 3.843 1.00 0.18 C ATOM 1511 O ILE A 95 -8.308 6.107 3.066 1.00 0.20 O ATOM 1512 CB ILE A 95 -6.686 6.107 5.448 1.00 0.26 C ATOM 1513 CG1 ILE A 95 -5.550 5.788 6.419 1.00 0.27 C ATOM 1514 CG2 ILE A 95 -7.846 6.762 6.189 1.00 0.35 C ATOM 1515 CD1 ILE A 95 -5.934 4.777 7.476 1.00 1.16 C ATOM 0 H ILE A 95 -5.716 4.880 3.201 1.00 0.13 H new ATOM 0 HA ILE A 95 -7.433 4.081 5.460 1.00 0.17 H new ATOM 0 HB ILE A 95 -6.320 6.809 4.699 1.00 0.26 H new ATOM 0 HG12 ILE A 95 -4.696 5.409 5.857 1.00 0.27 H new ATOM 0 HG13 ILE A 95 -5.228 6.708 6.906 1.00 0.27 H new ATOM 0 HG21 ILE A 95 -7.493 7.661 6.695 1.00 0.35 H new ATOM 0 HG22 ILE A 95 -8.628 7.029 5.478 1.00 0.35 H new ATOM 0 HG23 ILE A 95 -8.247 6.065 6.925 1.00 0.35 H new ATOM 0 HD11 ILE A 95 -5.083 4.596 8.132 1.00 1.16 H new ATOM 0 HD12 ILE A 95 -6.768 5.162 8.062 1.00 1.16 H new ATOM 0 HD13 ILE A 95 -6.228 3.843 6.997 1.00 1.16 H new ATOM 1527 N SER A 96 -9.394 4.364 3.951 1.00 0.20 N ATOM 1528 CA SER A 96 -10.604 4.633 3.203 1.00 0.24 C ATOM 1529 C SER A 96 -11.303 5.855 3.772 1.00 0.28 C ATOM 1530 O SER A 96 -11.732 5.861 4.927 1.00 0.35 O ATOM 1531 CB SER A 96 -11.530 3.413 3.229 1.00 0.31 C ATOM 1532 OG SER A 96 -12.777 3.688 2.611 1.00 0.37 O ATOM 0 H SER A 96 -9.432 3.535 4.544 1.00 0.20 H new ATOM 0 HA SER A 96 -10.342 4.836 2.165 1.00 0.24 H new ATOM 0 HB2 SER A 96 -11.047 2.579 2.720 1.00 0.31 H new ATOM 0 HB3 SER A 96 -11.696 3.104 4.261 1.00 0.31 H new ATOM 0 HG SER A 96 -13.342 2.888 2.644 1.00 0.37 H new ATOM 1538 N THR A 97 -11.396 6.899 2.965 1.00 0.27 N ATOM 1539 CA THR A 97 -12.065 8.111 3.378 1.00 0.36 C ATOM 1540 C THR A 97 -13.459 8.156 2.752 1.00 0.48 C ATOM 1541 O THR A 97 -14.210 9.121 2.914 1.00 0.58 O ATOM 1542 CB THR A 97 -11.244 9.373 3.007 1.00 0.34 C ATOM 1543 OG1 THR A 97 -11.671 10.494 3.792 1.00 0.43 O ATOM 1544 CG2 THR A 97 -11.372 9.720 1.530 1.00 0.35 C ATOM 0 H THR A 97 -11.014 6.927 2.019 1.00 0.27 H new ATOM 0 HA THR A 97 -12.159 8.106 4.464 1.00 0.36 H new ATOM 0 HB THR A 97 -10.198 9.148 3.217 1.00 0.34 H new ATOM 0 HG1 THR A 97 -12.650 10.513 3.830 1.00 0.43 H new ATOM 0 HG21 THR A 97 -10.782 10.610 1.313 1.00 0.35 H new ATOM 0 HG22 THR A 97 -11.008 8.887 0.928 1.00 0.35 H new ATOM 0 HG23 THR A 97 -12.418 9.911 1.290 1.00 0.35 H new