USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 618 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 26 HIS : no HE2:sc= -16.8! C(o=-17!,f=-26!) USER MOD Set 1.2: B 30 HIS : no HE2:sc= 0.0835 K(o=-17,f=-20) USER MOD Set 2.1: A 30 HIS : no HE2:sc= 0.0872 K(o=-17,f=-20) USER MOD Set 2.2: B 26 HIS : no HE2:sc= -16.7! C(o=-17!,f=-26!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 45.921 -3.980 -2.516 1.00 0.00 N ATOM 2 CA GLY A 1 44.473 -3.637 -2.442 1.00 0.00 C ATOM 3 C GLY A 1 44.002 -3.728 -0.989 1.00 0.00 C ATOM 4 O GLY A 1 43.847 -4.802 -0.443 1.00 0.00 O ATOM 0 H1 GLY A 1 46.242 -3.918 -3.503 1.00 0.00 H new ATOM 0 H2 GLY A 1 46.466 -3.314 -1.932 1.00 0.00 H new ATOM 0 H3 GLY A 1 46.067 -4.948 -2.164 1.00 0.00 H new ATOM 0 HA2 GLY A 1 44.306 -2.631 -2.827 1.00 0.00 H new ATOM 0 HA3 GLY A 1 43.894 -4.318 -3.067 1.00 0.00 H new ATOM 10 N GLU A 2 43.775 -2.608 -0.358 1.00 0.00 N ATOM 11 CA GLU A 2 43.314 -2.632 1.060 1.00 0.00 C ATOM 12 C GLU A 2 41.793 -2.462 1.130 1.00 0.00 C ATOM 13 O GLU A 2 41.172 -2.768 2.129 1.00 0.00 O ATOM 14 CB GLU A 2 44.017 -1.448 1.724 1.00 0.00 C ATOM 15 CG GLU A 2 45.004 -1.966 2.773 1.00 0.00 C ATOM 16 CD GLU A 2 45.597 -0.785 3.543 1.00 0.00 C ATOM 17 OE1 GLU A 2 44.884 -0.213 4.352 1.00 0.00 O ATOM 18 OE2 GLU A 2 46.753 -0.473 3.312 1.00 0.00 O ATOM 0 H GLU A 2 43.889 -1.678 -0.762 1.00 0.00 H new ATOM 0 HA GLU A 2 43.548 -3.576 1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 2 44.543 -0.856 0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 2 43.284 -0.791 2.192 1.00 0.00 H new ATOM 0 HG2 GLU A 2 44.498 -2.644 3.460 1.00 0.00 H new ATOM 0 HG3 GLU A 2 45.799 -2.535 2.290 1.00 0.00 H new ATOM 25 N VAL A 3 41.187 -1.978 0.080 1.00 0.00 N ATOM 26 CA VAL A 3 39.707 -1.793 0.095 1.00 0.00 C ATOM 27 C VAL A 3 38.992 -3.100 -0.272 1.00 0.00 C ATOM 28 O VAL A 3 37.792 -3.127 -0.457 1.00 0.00 O ATOM 29 CB VAL A 3 39.433 -0.720 -0.958 1.00 0.00 C ATOM 30 CG1 VAL A 3 39.930 -1.206 -2.322 1.00 0.00 C ATOM 31 CG2 VAL A 3 37.930 -0.450 -1.030 1.00 0.00 C ATOM 0 H VAL A 3 41.651 -1.703 -0.786 1.00 0.00 H new ATOM 0 HA VAL A 3 39.342 -1.505 1.081 1.00 0.00 H new ATOM 0 HB VAL A 3 39.955 0.198 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 3 39.735 -0.441 -3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 3 41.001 -1.400 -2.271 1.00 0.00 H new ATOM 0 HG13 VAL A 3 39.408 -2.123 -2.594 1.00 0.00 H new ATOM 0 HG21 VAL A 3 37.733 0.315 -1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 3 37.408 -1.368 -1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 3 37.575 -0.105 -0.059 1.00 0.00 H new ATOM 41 N GLU A 4 39.714 -4.185 -0.378 1.00 0.00 N ATOM 42 CA GLU A 4 39.063 -5.479 -0.731 1.00 0.00 C ATOM 43 C GLU A 4 38.100 -5.914 0.379 1.00 0.00 C ATOM 44 O GLU A 4 37.258 -6.768 0.182 1.00 0.00 O ATOM 45 CB GLU A 4 40.214 -6.478 -0.860 1.00 0.00 C ATOM 46 CG GLU A 4 40.174 -7.123 -2.246 1.00 0.00 C ATOM 47 CD GLU A 4 41.260 -8.196 -2.342 1.00 0.00 C ATOM 48 OE1 GLU A 4 41.023 -9.296 -1.869 1.00 0.00 O ATOM 49 OE2 GLU A 4 42.311 -7.901 -2.886 1.00 0.00 O ATOM 0 H GLU A 4 40.723 -4.230 -0.236 1.00 0.00 H new ATOM 0 HA GLU A 4 38.477 -5.407 -1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 4 41.168 -5.972 -0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 4 40.134 -7.243 -0.088 1.00 0.00 H new ATOM 0 HG2 GLU A 4 39.194 -7.566 -2.424 1.00 0.00 H new ATOM 0 HG3 GLU A 4 40.327 -6.366 -3.015 1.00 0.00 H new ATOM 56 N GLU A 5 38.217 -5.338 1.546 1.00 0.00 N ATOM 57 CA GLU A 5 37.309 -5.726 2.663 1.00 0.00 C ATOM 58 C GLU A 5 35.951 -5.040 2.509 1.00 0.00 C ATOM 59 O GLU A 5 34.916 -5.655 2.664 1.00 0.00 O ATOM 60 CB GLU A 5 38.012 -5.241 3.929 1.00 0.00 C ATOM 61 CG GLU A 5 38.849 -6.379 4.515 1.00 0.00 C ATOM 62 CD GLU A 5 37.922 -7.437 5.118 1.00 0.00 C ATOM 63 OE1 GLU A 5 36.908 -7.056 5.680 1.00 0.00 O ATOM 64 OE2 GLU A 5 38.243 -8.609 5.009 1.00 0.00 O ATOM 0 H GLU A 5 38.901 -4.617 1.773 1.00 0.00 H new ATOM 0 HA GLU A 5 37.119 -6.799 2.685 1.00 0.00 H new ATOM 0 HB2 GLU A 5 38.650 -4.387 3.699 1.00 0.00 H new ATOM 0 HB3 GLU A 5 37.277 -4.903 4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 5 39.470 -6.825 3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 5 39.523 -5.992 5.280 1.00 0.00 H new ATOM 71 N LEU A 6 35.943 -3.773 2.204 1.00 0.00 N ATOM 72 CA LEU A 6 34.646 -3.059 2.036 1.00 0.00 C ATOM 73 C LEU A 6 33.968 -3.559 0.753 1.00 0.00 C ATOM 74 O LEU A 6 32.758 -3.584 0.644 1.00 0.00 O ATOM 75 CB LEU A 6 35.039 -1.556 1.995 1.00 0.00 C ATOM 76 CG LEU A 6 34.371 -0.791 0.836 1.00 0.00 C ATOM 77 CD1 LEU A 6 32.877 -0.613 1.113 1.00 0.00 C ATOM 78 CD2 LEU A 6 35.015 0.592 0.711 1.00 0.00 C ATOM 0 H LEU A 6 36.776 -3.201 2.064 1.00 0.00 H new ATOM 0 HA LEU A 6 33.922 -3.231 2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 6 34.762 -1.088 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 6 36.122 -1.472 1.903 1.00 0.00 H new ATOM 0 HG LEU A 6 34.503 -1.358 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 6 32.416 -0.071 0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 6 32.406 -1.591 1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 6 32.743 -0.050 2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 6 34.547 1.139 -0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 6 34.877 1.143 1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 6 36.081 0.480 0.510 1.00 0.00 H new ATOM 90 N GLU A 7 34.743 -3.974 -0.210 1.00 0.00 N ATOM 91 CA GLU A 7 34.146 -4.484 -1.477 1.00 0.00 C ATOM 92 C GLU A 7 33.509 -5.854 -1.259 1.00 0.00 C ATOM 93 O GLU A 7 32.357 -6.076 -1.589 1.00 0.00 O ATOM 94 CB GLU A 7 35.311 -4.596 -2.455 1.00 0.00 C ATOM 95 CG GLU A 7 34.769 -4.547 -3.884 1.00 0.00 C ATOM 96 CD GLU A 7 35.867 -4.062 -4.834 1.00 0.00 C ATOM 97 OE1 GLU A 7 36.825 -3.479 -4.353 1.00 0.00 O ATOM 98 OE2 GLU A 7 35.731 -4.284 -6.026 1.00 0.00 O ATOM 0 H GLU A 7 35.762 -3.982 -0.175 1.00 0.00 H new ATOM 0 HA GLU A 7 33.361 -3.824 -1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 7 36.018 -3.783 -2.293 1.00 0.00 H new ATOM 0 HB3 GLU A 7 35.853 -5.527 -2.290 1.00 0.00 H new ATOM 0 HG2 GLU A 7 34.423 -5.535 -4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 7 33.909 -3.879 -3.935 1.00 0.00 H new ATOM 105 N LYS A 8 34.246 -6.780 -0.716 1.00 0.00 N ATOM 106 CA LYS A 8 33.676 -8.133 -0.494 1.00 0.00 C ATOM 107 C LYS A 8 32.487 -8.063 0.454 1.00 0.00 C ATOM 108 O LYS A 8 31.502 -8.733 0.259 1.00 0.00 O ATOM 109 CB LYS A 8 34.811 -8.955 0.113 1.00 0.00 C ATOM 110 CG LYS A 8 34.608 -10.428 -0.239 1.00 0.00 C ATOM 111 CD LYS A 8 35.103 -10.683 -1.663 1.00 0.00 C ATOM 112 CE LYS A 8 35.229 -12.190 -1.897 1.00 0.00 C ATOM 113 NZ LYS A 8 36.083 -12.316 -3.112 1.00 0.00 N ATOM 0 H LYS A 8 35.214 -6.658 -0.418 1.00 0.00 H new ATOM 0 HA LYS A 8 33.309 -8.578 -1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 8 35.772 -8.607 -0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 8 34.831 -8.827 1.195 1.00 0.00 H new ATOM 0 HG2 LYS A 8 35.150 -11.059 0.465 1.00 0.00 H new ATOM 0 HG3 LYS A 8 33.553 -10.691 -0.156 1.00 0.00 H new ATOM 0 HD2 LYS A 8 34.410 -10.249 -2.384 1.00 0.00 H new ATOM 0 HD3 LYS A 8 36.067 -10.198 -1.817 1.00 0.00 H new ATOM 0 HE2 LYS A 8 35.684 -12.687 -1.040 1.00 0.00 H new ATOM 0 HE3 LYS A 8 34.253 -12.650 -2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 36.217 -13.322 -3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 35.621 -11.839 -3.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 37.008 -11.875 -2.934 1.00 0.00 H new ATOM 127 N LYS A 9 32.561 -7.252 1.468 1.00 0.00 N ATOM 128 CA LYS A 9 31.412 -7.142 2.409 1.00 0.00 C ATOM 129 C LYS A 9 30.231 -6.509 1.680 1.00 0.00 C ATOM 130 O LYS A 9 29.084 -6.747 2.000 1.00 0.00 O ATOM 131 CB LYS A 9 31.905 -6.235 3.535 1.00 0.00 C ATOM 132 CG LYS A 9 32.771 -7.045 4.502 1.00 0.00 C ATOM 133 CD LYS A 9 31.893 -8.043 5.260 1.00 0.00 C ATOM 134 CE LYS A 9 32.157 -9.455 4.733 1.00 0.00 C ATOM 135 NZ LYS A 9 32.195 -10.316 5.950 1.00 0.00 N ATOM 0 H LYS A 9 33.363 -6.662 1.687 1.00 0.00 H new ATOM 0 HA LYS A 9 31.082 -8.107 2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 9 32.480 -5.406 3.123 1.00 0.00 H new ATOM 0 HB3 LYS A 9 31.057 -5.802 4.065 1.00 0.00 H new ATOM 0 HG2 LYS A 9 33.550 -7.574 3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 9 33.272 -6.378 5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 9 32.108 -7.995 6.328 1.00 0.00 H new ATOM 0 HD3 LYS A 9 30.841 -7.787 5.135 1.00 0.00 H new ATOM 0 HE2 LYS A 9 31.372 -9.774 4.047 1.00 0.00 H new ATOM 0 HE3 LYS A 9 33.098 -9.503 4.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 32.372 -11.302 5.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 32.956 -9.992 6.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 31.284 -10.255 6.447 1.00 0.00 H new ATOM 149 N PHE A 10 30.511 -5.706 0.693 1.00 0.00 N ATOM 150 CA PHE A 10 29.417 -5.054 -0.074 1.00 0.00 C ATOM 151 C PHE A 10 28.569 -6.102 -0.795 1.00 0.00 C ATOM 152 O PHE A 10 27.402 -6.283 -0.506 1.00 0.00 O ATOM 153 CB PHE A 10 30.134 -4.167 -1.097 1.00 0.00 C ATOM 154 CG PHE A 10 29.247 -3.012 -1.488 1.00 0.00 C ATOM 155 CD1 PHE A 10 28.986 -1.980 -0.562 1.00 0.00 C ATOM 156 CD2 PHE A 10 28.692 -2.956 -2.786 1.00 0.00 C ATOM 157 CE1 PHE A 10 28.172 -0.888 -0.934 1.00 0.00 C ATOM 158 CE2 PHE A 10 27.873 -1.867 -3.156 1.00 0.00 C ATOM 159 CZ PHE A 10 27.616 -0.833 -2.231 1.00 0.00 C ATOM 0 H PHE A 10 31.455 -5.473 0.384 1.00 0.00 H new ATOM 0 HA PHE A 10 28.745 -4.489 0.572 1.00 0.00 H new ATOM 0 HB2 PHE A 10 31.067 -3.793 -0.676 1.00 0.00 H new ATOM 0 HB3 PHE A 10 30.394 -4.752 -1.979 1.00 0.00 H new ATOM 0 HD1 PHE A 10 29.409 -2.025 0.431 1.00 0.00 H new ATOM 0 HD2 PHE A 10 28.894 -3.746 -3.495 1.00 0.00 H new ATOM 0 HE1 PHE A 10 27.975 -0.095 -0.227 1.00 0.00 H new ATOM 0 HE2 PHE A 10 27.444 -1.826 -4.146 1.00 0.00 H new ATOM 0 HZ PHE A 10 26.993 0.002 -2.515 1.00 0.00 H new ATOM 169 N LYS A 11 29.146 -6.787 -1.740 1.00 0.00 N ATOM 170 CA LYS A 11 28.372 -7.804 -2.500 1.00 0.00 C ATOM 171 C LYS A 11 27.916 -8.944 -1.584 1.00 0.00 C ATOM 172 O LYS A 11 26.897 -9.572 -1.812 1.00 0.00 O ATOM 173 CB LYS A 11 29.350 -8.309 -3.559 1.00 0.00 C ATOM 174 CG LYS A 11 29.935 -7.126 -4.338 1.00 0.00 C ATOM 175 CD LYS A 11 29.875 -7.421 -5.838 1.00 0.00 C ATOM 176 CE LYS A 11 31.066 -8.296 -6.233 1.00 0.00 C ATOM 177 NZ LYS A 11 30.541 -9.198 -7.296 1.00 0.00 N ATOM 0 H LYS A 11 30.122 -6.686 -2.019 1.00 0.00 H new ATOM 0 HA LYS A 11 27.463 -7.392 -2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 11 30.152 -8.875 -3.085 1.00 0.00 H new ATOM 0 HB3 LYS A 11 28.840 -8.989 -4.242 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.377 -6.217 -4.113 1.00 0.00 H new ATOM 0 HG3 LYS A 11 30.966 -6.950 -4.032 1.00 0.00 H new ATOM 0 HD2 LYS A 11 28.941 -7.927 -6.083 1.00 0.00 H new ATOM 0 HD3 LYS A 11 29.891 -6.489 -6.404 1.00 0.00 H new ATOM 0 HE2 LYS A 11 31.895 -7.692 -6.601 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.439 -8.864 -5.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 31.300 -9.831 -7.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 29.757 -9.765 -6.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 30.199 -8.629 -8.097 1.00 0.00 H new ATOM 191 N GLU A 12 28.657 -9.213 -0.551 1.00 0.00 N ATOM 192 CA GLU A 12 28.271 -10.309 0.381 1.00 0.00 C ATOM 193 C GLU A 12 27.102 -9.869 1.256 1.00 0.00 C ATOM 194 O GLU A 12 26.369 -10.682 1.782 1.00 0.00 O ATOM 195 CB GLU A 12 29.509 -10.554 1.241 1.00 0.00 C ATOM 196 CG GLU A 12 30.475 -11.478 0.496 1.00 0.00 C ATOM 197 CD GLU A 12 31.015 -12.536 1.460 1.00 0.00 C ATOM 198 OE1 GLU A 12 31.256 -12.197 2.607 1.00 0.00 O ATOM 199 OE2 GLU A 12 31.178 -13.668 1.035 1.00 0.00 O ATOM 0 H GLU A 12 29.517 -8.721 -0.309 1.00 0.00 H new ATOM 0 HA GLU A 12 27.956 -11.207 -0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 12 29.999 -9.607 1.470 1.00 0.00 H new ATOM 0 HB3 GLU A 12 29.221 -11.002 2.192 1.00 0.00 H new ATOM 0 HG2 GLU A 12 29.965 -11.958 -0.339 1.00 0.00 H new ATOM 0 HG3 GLU A 12 31.298 -10.899 0.076 1.00 0.00 H new ATOM 206 N LEU A 13 26.923 -8.590 1.422 1.00 0.00 N ATOM 207 CA LEU A 13 25.801 -8.112 2.270 1.00 0.00 C ATOM 208 C LEU A 13 24.500 -8.109 1.463 1.00 0.00 C ATOM 209 O LEU A 13 23.439 -8.392 1.984 1.00 0.00 O ATOM 210 CB LEU A 13 26.202 -6.701 2.699 1.00 0.00 C ATOM 211 CG LEU A 13 26.909 -6.767 4.059 1.00 0.00 C ATOM 212 CD1 LEU A 13 27.301 -5.360 4.501 1.00 0.00 C ATOM 213 CD2 LEU A 13 25.971 -7.375 5.103 1.00 0.00 C ATOM 0 H LEU A 13 27.502 -7.859 1.009 1.00 0.00 H new ATOM 0 HA LEU A 13 25.623 -8.751 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 13 26.862 -6.256 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 13 25.320 -6.064 2.765 1.00 0.00 H new ATOM 0 HG LEU A 13 27.801 -7.386 3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 13 27.803 -5.409 5.467 1.00 0.00 H new ATOM 0 HD12 LEU A 13 27.974 -4.921 3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 13 26.406 -4.743 4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 13 26.479 -7.419 6.067 1.00 0.00 H new ATOM 0 HD22 LEU A 13 25.077 -6.758 5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 13 25.688 -8.382 4.796 1.00 0.00 H new ATOM 225 N TRP A 14 24.567 -7.810 0.191 1.00 0.00 N ATOM 226 CA TRP A 14 23.319 -7.819 -0.630 1.00 0.00 C ATOM 227 C TRP A 14 22.820 -9.250 -0.789 1.00 0.00 C ATOM 228 O TRP A 14 21.644 -9.529 -0.673 1.00 0.00 O ATOM 229 CB TRP A 14 23.712 -7.256 -1.994 1.00 0.00 C ATOM 230 CG TRP A 14 23.175 -5.873 -2.127 1.00 0.00 C ATOM 231 CD1 TRP A 14 21.897 -5.547 -2.436 1.00 0.00 C ATOM 232 CD2 TRP A 14 23.885 -4.627 -1.949 1.00 0.00 C ATOM 233 NE1 TRP A 14 21.780 -4.168 -2.459 1.00 0.00 N ATOM 234 CE2 TRP A 14 22.978 -3.553 -2.164 1.00 0.00 C ATOM 235 CE3 TRP A 14 25.224 -4.325 -1.623 1.00 0.00 C ATOM 236 CZ2 TRP A 14 23.391 -2.216 -2.055 1.00 0.00 C ATOM 237 CZ3 TRP A 14 25.648 -2.987 -1.509 1.00 0.00 C ATOM 238 CH2 TRP A 14 24.733 -1.931 -1.723 1.00 0.00 C ATOM 0 H TRP A 14 25.421 -7.563 -0.310 1.00 0.00 H new ATOM 0 HA TRP A 14 22.525 -7.234 -0.165 1.00 0.00 H new ATOM 0 HB2 TRP A 14 24.797 -7.249 -2.099 1.00 0.00 H new ATOM 0 HB3 TRP A 14 23.319 -7.890 -2.789 1.00 0.00 H new ATOM 0 HD1 TRP A 14 21.100 -6.248 -2.632 1.00 0.00 H new ATOM 0 HE1 TRP A 14 20.915 -3.669 -2.668 1.00 0.00 H new ATOM 0 HE3 TRP A 14 25.929 -5.126 -1.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 22.689 -1.413 -2.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 26.675 -2.767 -1.257 1.00 0.00 H new ATOM 0 HH2 TRP A 14 25.061 -0.906 -1.632 1.00 0.00 H new ATOM 249 N LYS A 15 23.712 -10.160 -1.062 1.00 0.00 N ATOM 250 CA LYS A 15 23.297 -11.575 -1.237 1.00 0.00 C ATOM 251 C LYS A 15 23.738 -12.403 -0.027 1.00 0.00 C ATOM 252 O LYS A 15 24.807 -12.980 -0.009 1.00 0.00 O ATOM 253 CB LYS A 15 24.011 -12.023 -2.509 1.00 0.00 C ATOM 254 CG LYS A 15 23.763 -13.515 -2.739 1.00 0.00 C ATOM 255 CD LYS A 15 22.260 -13.768 -2.870 1.00 0.00 C ATOM 256 CE LYS A 15 21.989 -14.593 -4.130 1.00 0.00 C ATOM 257 NZ LYS A 15 20.504 -14.620 -4.256 1.00 0.00 N ATOM 0 H LYS A 15 24.711 -9.983 -1.171 1.00 0.00 H new ATOM 0 HA LYS A 15 22.217 -11.699 -1.315 1.00 0.00 H new ATOM 0 HB2 LYS A 15 23.650 -11.448 -3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 15 25.081 -11.831 -2.425 1.00 0.00 H new ATOM 0 HG2 LYS A 15 24.278 -13.845 -3.641 1.00 0.00 H new ATOM 0 HG3 LYS A 15 24.169 -14.094 -1.910 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.891 -14.296 -1.991 1.00 0.00 H new ATOM 0 HD3 LYS A 15 21.724 -12.820 -2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 15 22.452 -14.140 -5.007 1.00 0.00 H new ATOM 0 HE3 LYS A 15 22.397 -15.600 -4.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.237 -15.168 -5.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 20.092 -15.062 -3.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.146 -13.648 -4.348 1.00 0.00 H new ATOM 271 N GLY A 16 22.919 -12.453 0.988 1.00 0.00 N ATOM 272 CA GLY A 16 23.276 -13.227 2.209 1.00 0.00 C ATOM 273 C GLY A 16 22.481 -12.672 3.397 1.00 0.00 C ATOM 274 O GLY A 16 21.362 -13.081 3.638 1.00 0.00 O ATOM 0 H GLY A 16 22.012 -11.987 1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 16 23.051 -14.284 2.065 1.00 0.00 H new ATOM 0 HA3 GLY A 16 24.346 -13.153 2.403 1.00 0.00 H new ATOM 278 N PRO A 17 23.084 -11.745 4.098 1.00 0.00 N ATOM 279 CA PRO A 17 22.418 -11.120 5.264 1.00 0.00 C ATOM 280 C PRO A 17 21.378 -10.104 4.775 1.00 0.00 C ATOM 281 O PRO A 17 20.931 -10.164 3.647 1.00 0.00 O ATOM 282 CB PRO A 17 23.563 -10.425 5.997 1.00 0.00 C ATOM 283 CG PRO A 17 24.596 -10.161 4.948 1.00 0.00 C ATOM 284 CD PRO A 17 24.429 -11.204 3.872 1.00 0.00 C ATOM 0 HA PRO A 17 21.887 -11.828 5.901 1.00 0.00 H new ATOM 0 HB2 PRO A 17 23.228 -9.498 6.462 1.00 0.00 H new ATOM 0 HB3 PRO A 17 23.961 -11.055 6.793 1.00 0.00 H new ATOM 0 HG2 PRO A 17 24.474 -9.160 4.534 1.00 0.00 H new ATOM 0 HG3 PRO A 17 25.597 -10.209 5.376 1.00 0.00 H new ATOM 0 HD2 PRO A 17 24.520 -10.768 2.877 1.00 0.00 H new ATOM 0 HD3 PRO A 17 25.189 -11.981 3.950 1.00 0.00 H new ATOM 292 N ARG A 18 20.991 -9.170 5.606 1.00 0.00 N ATOM 293 CA ARG A 18 19.985 -8.152 5.174 1.00 0.00 C ATOM 294 C ARG A 18 20.373 -7.563 3.808 1.00 0.00 C ATOM 295 O ARG A 18 21.442 -7.823 3.292 1.00 0.00 O ATOM 296 CB ARG A 18 19.999 -7.078 6.284 1.00 0.00 C ATOM 297 CG ARG A 18 21.157 -6.081 6.088 1.00 0.00 C ATOM 298 CD ARG A 18 22.500 -6.793 6.263 1.00 0.00 C ATOM 299 NE ARG A 18 22.472 -7.347 7.651 1.00 0.00 N ATOM 300 CZ ARG A 18 22.376 -6.545 8.680 1.00 0.00 C ATOM 301 NH1 ARG A 18 22.807 -5.316 8.595 1.00 0.00 N ATOM 302 NH2 ARG A 18 21.848 -6.975 9.793 1.00 0.00 N ATOM 0 H ARG A 18 21.327 -9.068 6.564 1.00 0.00 H new ATOM 0 HA ARG A 18 18.989 -8.576 5.047 1.00 0.00 H new ATOM 0 HB2 ARG A 18 19.051 -6.541 6.284 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.093 -7.560 7.257 1.00 0.00 H new ATOM 0 HG2 ARG A 18 21.099 -5.636 5.095 1.00 0.00 H new ATOM 0 HG3 ARG A 18 21.072 -5.267 6.808 1.00 0.00 H new ATOM 0 HD2 ARG A 18 22.625 -7.586 5.525 1.00 0.00 H new ATOM 0 HD3 ARG A 18 23.332 -6.102 6.132 1.00 0.00 H new ATOM 0 HE ARG A 18 22.528 -8.355 7.796 1.00 0.00 H new ATOM 0 HH11 ARG A 18 23.220 -4.979 7.725 1.00 0.00 H new ATOM 0 HH12 ARG A 18 22.731 -4.692 9.398 1.00 0.00 H new ATOM 0 HH21 ARG A 18 21.511 -7.935 9.860 1.00 0.00 H new ATOM 0 HH22 ARG A 18 21.772 -6.351 10.596 1.00 0.00 H new ATOM 316 N ARG A 19 19.519 -6.772 3.223 1.00 0.00 N ATOM 317 CA ARG A 19 19.855 -6.176 1.900 1.00 0.00 C ATOM 318 C ARG A 19 19.370 -4.725 1.829 1.00 0.00 C ATOM 319 O ARG A 19 20.051 -3.859 1.319 1.00 0.00 O ATOM 320 CB ARG A 19 19.119 -7.038 0.875 1.00 0.00 C ATOM 321 CG ARG A 19 19.466 -6.561 -0.536 1.00 0.00 C ATOM 322 CD ARG A 19 18.321 -6.911 -1.488 1.00 0.00 C ATOM 323 NE ARG A 19 18.778 -8.139 -2.199 1.00 0.00 N ATOM 324 CZ ARG A 19 18.260 -8.453 -3.355 1.00 0.00 C ATOM 325 NH1 ARG A 19 17.166 -9.162 -3.409 1.00 0.00 N ATOM 326 NH2 ARG A 19 18.837 -8.059 -4.458 1.00 0.00 N ATOM 0 H ARG A 19 18.608 -6.513 3.601 1.00 0.00 H new ATOM 0 HA ARG A 19 20.930 -6.158 1.720 1.00 0.00 H new ATOM 0 HB2 ARG A 19 19.399 -8.084 0.996 1.00 0.00 H new ATOM 0 HB3 ARG A 19 18.043 -6.975 1.037 1.00 0.00 H new ATOM 0 HG2 ARG A 19 19.637 -5.484 -0.536 1.00 0.00 H new ATOM 0 HG3 ARG A 19 20.390 -7.030 -0.873 1.00 0.00 H new ATOM 0 HD2 ARG A 19 17.395 -7.091 -0.943 1.00 0.00 H new ATOM 0 HD3 ARG A 19 18.126 -6.098 -2.188 1.00 0.00 H new ATOM 0 HE ARG A 19 19.495 -8.733 -1.782 1.00 0.00 H new ATOM 0 HH11 ARG A 19 16.715 -9.471 -2.548 1.00 0.00 H new ATOM 0 HH12 ARG A 19 16.761 -9.407 -4.313 1.00 0.00 H new ATOM 0 HH21 ARG A 19 19.693 -7.506 -4.416 1.00 0.00 H new ATOM 0 HH22 ARG A 19 18.432 -8.305 -5.361 1.00 0.00 H new ATOM 340 N GLY A 20 18.199 -4.453 2.335 1.00 0.00 N ATOM 341 CA GLY A 20 17.679 -3.057 2.293 1.00 0.00 C ATOM 342 C GLY A 20 18.581 -2.155 3.137 1.00 0.00 C ATOM 343 O GLY A 20 18.845 -1.022 2.786 1.00 0.00 O ATOM 0 H GLY A 20 17.581 -5.135 2.775 1.00 0.00 H new ATOM 0 HA2 GLY A 20 17.648 -2.699 1.264 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.657 -3.026 2.672 1.00 0.00 H new ATOM 347 N GLU A 21 19.059 -2.649 4.246 1.00 0.00 N ATOM 348 CA GLU A 21 19.947 -1.821 5.112 1.00 0.00 C ATOM 349 C GLU A 21 21.297 -1.603 4.424 1.00 0.00 C ATOM 350 O GLU A 21 21.959 -0.606 4.633 1.00 0.00 O ATOM 351 CB GLU A 21 20.123 -2.637 6.392 1.00 0.00 C ATOM 352 CG GLU A 21 19.202 -2.083 7.481 1.00 0.00 C ATOM 353 CD GLU A 21 19.350 -2.924 8.751 1.00 0.00 C ATOM 354 OE1 GLU A 21 20.446 -3.396 9.000 1.00 0.00 O ATOM 355 OE2 GLU A 21 18.364 -3.080 9.452 1.00 0.00 O ATOM 0 H GLU A 21 18.873 -3.591 4.591 1.00 0.00 H new ATOM 0 HA GLU A 21 19.529 -0.835 5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 21 19.891 -3.685 6.203 1.00 0.00 H new ATOM 0 HB3 GLU A 21 21.161 -2.595 6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 21 19.453 -1.043 7.690 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.167 -2.099 7.140 1.00 0.00 H new ATOM 362 N ILE A 22 21.708 -2.529 3.602 1.00 0.00 N ATOM 363 CA ILE A 22 23.013 -2.377 2.896 1.00 0.00 C ATOM 364 C ILE A 22 22.907 -1.285 1.836 1.00 0.00 C ATOM 365 O ILE A 22 23.634 -0.312 1.856 1.00 0.00 O ATOM 366 CB ILE A 22 23.267 -3.734 2.245 1.00 0.00 C ATOM 367 CG1 ILE A 22 23.269 -4.816 3.321 1.00 0.00 C ATOM 368 CG2 ILE A 22 24.619 -3.712 1.536 1.00 0.00 C ATOM 369 CD1 ILE A 22 24.358 -4.509 4.353 1.00 0.00 C ATOM 0 H ILE A 22 21.197 -3.385 3.388 1.00 0.00 H new ATOM 0 HA ILE A 22 23.821 -2.091 3.569 1.00 0.00 H new ATOM 0 HB ILE A 22 22.483 -3.946 1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 22 22.295 -4.862 3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 22 23.446 -5.792 2.870 1.00 0.00 H new ATOM 0 HG21 ILE A 22 24.802 -4.681 1.071 1.00 0.00 H new ATOM 0 HG22 ILE A 22 24.616 -2.936 0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 22 25.406 -3.503 2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 22 24.359 -5.282 5.122 1.00 0.00 H new ATOM 0 HD12 ILE A 22 25.330 -4.486 3.860 1.00 0.00 H new ATOM 0 HD13 ILE A 22 24.161 -3.541 4.813 1.00 0.00 H new ATOM 381 N GLU A 23 22.000 -1.433 0.913 1.00 0.00 N ATOM 382 CA GLU A 23 21.839 -0.399 -0.137 1.00 0.00 C ATOM 383 C GLU A 23 21.516 0.942 0.527 1.00 0.00 C ATOM 384 O GLU A 23 21.886 1.997 0.044 1.00 0.00 O ATOM 385 CB GLU A 23 20.687 -0.917 -1.002 1.00 0.00 C ATOM 386 CG GLU A 23 20.448 0.032 -2.170 1.00 0.00 C ATOM 387 CD GLU A 23 19.100 0.734 -1.994 1.00 0.00 C ATOM 388 OE1 GLU A 23 18.086 0.092 -2.211 1.00 0.00 O ATOM 389 OE2 GLU A 23 19.105 1.903 -1.645 1.00 0.00 O ATOM 0 H GLU A 23 21.364 -2.227 0.843 1.00 0.00 H new ATOM 0 HA GLU A 23 22.732 -0.232 -0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 23 20.920 -1.914 -1.374 1.00 0.00 H new ATOM 0 HB3 GLU A 23 19.781 -1.005 -0.402 1.00 0.00 H new ATOM 0 HG2 GLU A 23 21.249 0.769 -2.222 1.00 0.00 H new ATOM 0 HG3 GLU A 23 20.462 -0.521 -3.109 1.00 0.00 H new ATOM 396 N GLU A 24 20.867 0.910 1.659 1.00 0.00 N ATOM 397 CA GLU A 24 20.571 2.183 2.368 1.00 0.00 C ATOM 398 C GLU A 24 21.898 2.835 2.750 1.00 0.00 C ATOM 399 O GLU A 24 22.074 4.034 2.653 1.00 0.00 O ATOM 400 CB GLU A 24 19.782 1.777 3.615 1.00 0.00 C ATOM 401 CG GLU A 24 19.555 3.006 4.497 1.00 0.00 C ATOM 402 CD GLU A 24 18.064 3.136 4.816 1.00 0.00 C ATOM 403 OE1 GLU A 24 17.582 2.362 5.627 1.00 0.00 O ATOM 404 OE2 GLU A 24 17.429 4.007 4.245 1.00 0.00 O ATOM 0 H GLU A 24 20.532 0.064 2.119 1.00 0.00 H new ATOM 0 HA GLU A 24 20.005 2.894 1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 24 18.825 1.341 3.327 1.00 0.00 H new ATOM 0 HB3 GLU A 24 20.326 1.013 4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.129 2.916 5.419 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.909 3.903 3.988 1.00 0.00 H new ATOM 411 N LEU A 25 22.843 2.034 3.161 1.00 0.00 N ATOM 412 CA LEU A 25 24.181 2.573 3.531 1.00 0.00 C ATOM 413 C LEU A 25 24.882 3.093 2.275 1.00 0.00 C ATOM 414 O LEU A 25 25.702 3.985 2.336 1.00 0.00 O ATOM 415 CB LEU A 25 24.952 1.386 4.115 1.00 0.00 C ATOM 416 CG LEU A 25 25.571 1.777 5.462 1.00 0.00 C ATOM 417 CD1 LEU A 25 26.451 0.632 5.968 1.00 0.00 C ATOM 418 CD2 LEU A 25 26.428 3.036 5.295 1.00 0.00 C ATOM 0 H LEU A 25 22.744 1.023 3.257 1.00 0.00 H new ATOM 0 HA LEU A 25 24.116 3.397 4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 25 24.283 0.536 4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 25 25.734 1.073 3.423 1.00 0.00 H new ATOM 0 HG LEU A 25 24.774 1.975 6.179 1.00 0.00 H new ATOM 0 HD11 LEU A 25 26.892 0.908 6.926 1.00 0.00 H new ATOM 0 HD12 LEU A 25 25.845 -0.265 6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 25 27.244 0.436 5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 25 26.865 3.309 6.256 1.00 0.00 H new ATOM 0 HD22 LEU A 25 27.224 2.842 4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 25 25.805 3.855 4.934 1.00 0.00 H new ATOM 430 N HIS A 26 24.556 2.544 1.134 1.00 0.00 N ATOM 431 CA HIS A 26 25.193 3.017 -0.128 1.00 0.00 C ATOM 432 C HIS A 26 24.723 4.442 -0.419 1.00 0.00 C ATOM 433 O HIS A 26 25.442 5.244 -0.980 1.00 0.00 O ATOM 434 CB HIS A 26 24.727 2.045 -1.212 1.00 0.00 C ATOM 435 CG HIS A 26 25.200 2.536 -2.551 1.00 0.00 C ATOM 436 ND1 HIS A 26 26.528 2.474 -2.941 1.00 0.00 N ATOM 437 CD2 HIS A 26 24.530 3.117 -3.592 1.00 0.00 C ATOM 438 CE1 HIS A 26 26.613 3.008 -4.173 1.00 0.00 C ATOM 439 NE2 HIS A 26 25.422 3.416 -4.617 1.00 0.00 N ATOM 0 H HIS A 26 23.878 1.790 1.023 1.00 0.00 H new ATOM 0 HA HIS A 26 26.281 3.039 -0.073 1.00 0.00 H new ATOM 0 HB2 HIS A 26 25.121 1.048 -1.017 1.00 0.00 H new ATOM 0 HB3 HIS A 26 23.640 1.966 -1.203 1.00 0.00 H new ATOM 0 HD1 HIS A 26 27.300 2.093 -2.394 1.00 0.00 H new ATOM 0 HD2 HIS A 26 23.468 3.314 -3.615 1.00 0.00 H new ATOM 0 HE1 HIS A 26 27.532 3.096 -4.734 1.00 0.00 H new ATOM 447 N LYS A 27 23.526 4.773 -0.023 1.00 0.00 N ATOM 448 CA LYS A 27 23.038 6.161 -0.255 1.00 0.00 C ATOM 449 C LYS A 27 23.774 7.098 0.707 1.00 0.00 C ATOM 450 O LYS A 27 24.398 8.062 0.302 1.00 0.00 O ATOM 451 CB LYS A 27 21.541 6.123 0.055 1.00 0.00 C ATOM 452 CG LYS A 27 20.783 6.942 -0.991 1.00 0.00 C ATOM 453 CD LYS A 27 19.796 6.037 -1.732 1.00 0.00 C ATOM 454 CE LYS A 27 18.614 5.712 -0.816 1.00 0.00 C ATOM 455 NZ LYS A 27 17.493 6.549 -1.329 1.00 0.00 N ATOM 0 H LYS A 27 22.870 4.149 0.447 1.00 0.00 H new ATOM 0 HA LYS A 27 23.214 6.516 -1.271 1.00 0.00 H new ATOM 0 HB2 LYS A 27 21.185 5.093 0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 27 21.355 6.524 1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 27 20.250 7.762 -0.510 1.00 0.00 H new ATOM 0 HG3 LYS A 27 21.484 7.388 -1.697 1.00 0.00 H new ATOM 0 HD2 LYS A 27 19.443 6.531 -2.637 1.00 0.00 H new ATOM 0 HD3 LYS A 27 20.292 5.118 -2.043 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.365 4.652 -0.853 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.842 5.950 0.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.644 6.383 -0.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.757 7.553 -1.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.295 6.295 -2.318 1.00 0.00 H new ATOM 469 N LYS A 28 23.732 6.801 1.980 1.00 0.00 N ATOM 470 CA LYS A 28 24.456 7.654 2.964 1.00 0.00 C ATOM 471 C LYS A 28 25.935 7.722 2.573 1.00 0.00 C ATOM 472 O LYS A 28 26.633 8.662 2.893 1.00 0.00 O ATOM 473 CB LYS A 28 24.284 6.949 4.310 1.00 0.00 C ATOM 474 CG LYS A 28 24.351 7.981 5.438 1.00 0.00 C ATOM 475 CD LYS A 28 23.199 7.743 6.416 1.00 0.00 C ATOM 476 CE LYS A 28 23.703 7.917 7.850 1.00 0.00 C ATOM 477 NZ LYS A 28 22.771 7.106 8.683 1.00 0.00 N ATOM 0 H LYS A 28 23.229 6.008 2.378 1.00 0.00 H new ATOM 0 HA LYS A 28 24.077 8.675 3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 28 23.329 6.425 4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 28 25.064 6.199 4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 28 25.306 7.905 5.959 1.00 0.00 H new ATOM 0 HG3 LYS A 28 24.291 8.989 5.027 1.00 0.00 H new ATOM 0 HD2 LYS A 28 22.388 8.444 6.217 1.00 0.00 H new ATOM 0 HD3 LYS A 28 22.794 6.740 6.281 1.00 0.00 H new ATOM 0 HE2 LYS A 28 24.731 7.568 7.953 1.00 0.00 H new ATOM 0 HE3 LYS A 28 23.691 8.965 8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 23.050 7.174 9.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 21.802 7.465 8.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 22.810 6.112 8.379 1.00 0.00 H new ATOM 491 N PHE A 29 26.404 6.733 1.859 1.00 0.00 N ATOM 492 CA PHE A 29 27.824 6.724 1.407 1.00 0.00 C ATOM 493 C PHE A 29 28.022 7.840 0.387 1.00 0.00 C ATOM 494 O PHE A 29 28.857 8.707 0.554 1.00 0.00 O ATOM 495 CB PHE A 29 28.012 5.343 0.766 1.00 0.00 C ATOM 496 CG PHE A 29 28.513 4.326 1.783 1.00 0.00 C ATOM 497 CD1 PHE A 29 28.532 4.615 3.176 1.00 0.00 C ATOM 498 CD2 PHE A 29 28.977 3.073 1.325 1.00 0.00 C ATOM 499 CE1 PHE A 29 29.015 3.655 4.090 1.00 0.00 C ATOM 500 CE2 PHE A 29 29.457 2.117 2.244 1.00 0.00 C ATOM 501 CZ PHE A 29 29.477 2.406 3.622 1.00 0.00 C ATOM 0 H PHE A 29 25.857 5.923 1.567 1.00 0.00 H new ATOM 0 HA PHE A 29 28.542 6.890 2.210 1.00 0.00 H new ATOM 0 HB2 PHE A 29 27.066 5.003 0.344 1.00 0.00 H new ATOM 0 HB3 PHE A 29 28.721 5.416 -0.059 1.00 0.00 H new ATOM 0 HD1 PHE A 29 28.176 5.570 3.534 1.00 0.00 H new ATOM 0 HD2 PHE A 29 28.964 2.847 0.269 1.00 0.00 H new ATOM 0 HE1 PHE A 29 29.031 3.876 5.147 1.00 0.00 H new ATOM 0 HE2 PHE A 29 29.810 1.160 1.890 1.00 0.00 H new ATOM 0 HZ PHE A 29 29.846 1.671 4.322 1.00 0.00 H new ATOM 511 N HIS A 30 27.238 7.839 -0.653 1.00 0.00 N ATOM 512 CA HIS A 30 27.356 8.911 -1.677 1.00 0.00 C ATOM 513 C HIS A 30 27.207 10.282 -1.012 1.00 0.00 C ATOM 514 O HIS A 30 27.629 11.290 -1.542 1.00 0.00 O ATOM 515 CB HIS A 30 26.199 8.655 -2.644 1.00 0.00 C ATOM 516 CG HIS A 30 26.404 9.460 -3.899 1.00 0.00 C ATOM 517 ND1 HIS A 30 27.024 8.937 -5.023 1.00 0.00 N ATOM 518 CD2 HIS A 30 26.075 10.753 -4.220 1.00 0.00 C ATOM 519 CE1 HIS A 30 27.049 9.903 -5.958 1.00 0.00 C ATOM 520 NE2 HIS A 30 26.483 11.031 -5.521 1.00 0.00 N ATOM 0 H HIS A 30 26.519 7.140 -0.838 1.00 0.00 H new ATOM 0 HA HIS A 30 28.321 8.903 -2.184 1.00 0.00 H new ATOM 0 HB2 HIS A 30 26.142 7.594 -2.886 1.00 0.00 H new ATOM 0 HB3 HIS A 30 25.253 8.927 -2.176 1.00 0.00 H new ATOM 0 HD1 HIS A 30 27.394 7.992 -5.123 1.00 0.00 H new ATOM 0 HD2 HIS A 30 25.575 11.449 -3.563 1.00 0.00 H new ATOM 0 HE1 HIS A 30 27.475 9.781 -6.943 1.00 0.00 H new ATOM 528 N GLU A 31 26.600 10.327 0.145 1.00 0.00 N ATOM 529 CA GLU A 31 26.417 11.635 0.840 1.00 0.00 C ATOM 530 C GLU A 31 27.652 11.991 1.679 1.00 0.00 C ATOM 531 O GLU A 31 27.983 13.149 1.842 1.00 0.00 O ATOM 532 CB GLU A 31 25.203 11.431 1.746 1.00 0.00 C ATOM 533 CG GLU A 31 23.939 11.904 1.025 1.00 0.00 C ATOM 534 CD GLU A 31 22.706 11.471 1.821 1.00 0.00 C ATOM 535 OE1 GLU A 31 22.633 10.306 2.176 1.00 0.00 O ATOM 536 OE2 GLU A 31 21.855 12.311 2.062 1.00 0.00 O ATOM 0 H GLU A 31 26.224 9.517 0.638 1.00 0.00 H new ATOM 0 HA GLU A 31 26.277 12.452 0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 31 25.109 10.379 2.013 1.00 0.00 H new ATOM 0 HB3 GLU A 31 25.333 11.986 2.675 1.00 0.00 H new ATOM 0 HG2 GLU A 31 23.953 12.989 0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 31 23.902 11.484 0.020 1.00 0.00 H new ATOM 543 N LEU A 32 28.331 11.015 2.224 1.00 0.00 N ATOM 544 CA LEU A 32 29.528 11.324 3.058 1.00 0.00 C ATOM 545 C LEU A 32 30.791 11.440 2.185 1.00 0.00 C ATOM 546 O LEU A 32 31.850 11.793 2.664 1.00 0.00 O ATOM 547 CB LEU A 32 29.614 10.162 4.076 1.00 0.00 C ATOM 548 CG LEU A 32 30.459 8.992 3.542 1.00 0.00 C ATOM 549 CD1 LEU A 32 31.896 9.125 4.050 1.00 0.00 C ATOM 550 CD2 LEU A 32 29.881 7.667 4.042 1.00 0.00 C ATOM 0 H LEU A 32 28.110 10.024 2.128 1.00 0.00 H new ATOM 0 HA LEU A 32 29.448 12.284 3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 32 30.047 10.527 5.007 1.00 0.00 H new ATOM 0 HB3 LEU A 32 28.610 9.808 4.308 1.00 0.00 H new ATOM 0 HG LEU A 32 30.446 9.013 2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 32 32.494 8.296 3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 32 32.320 10.067 3.701 1.00 0.00 H new ATOM 0 HD13 LEU A 32 31.900 9.107 5.140 1.00 0.00 H new ATOM 0 HD21 LEU A 32 30.482 6.841 3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 32 29.893 7.653 5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 32 28.855 7.561 3.689 1.00 0.00 H new ATOM 562 N ILE A 33 30.693 11.141 0.916 1.00 0.00 N ATOM 563 CA ILE A 33 31.903 11.234 0.039 1.00 0.00 C ATOM 564 C ILE A 33 31.643 12.174 -1.147 1.00 0.00 C ATOM 565 O ILE A 33 32.556 12.755 -1.699 1.00 0.00 O ATOM 566 CB ILE A 33 32.158 9.797 -0.435 1.00 0.00 C ATOM 567 CG1 ILE A 33 31.030 9.364 -1.390 1.00 0.00 C ATOM 568 CG2 ILE A 33 32.207 8.882 0.796 1.00 0.00 C ATOM 569 CD1 ILE A 33 31.091 7.855 -1.671 1.00 0.00 C ATOM 0 H ILE A 33 29.837 10.839 0.450 1.00 0.00 H new ATOM 0 HA ILE A 33 32.765 11.644 0.565 1.00 0.00 H new ATOM 0 HB ILE A 33 33.105 9.732 -0.971 1.00 0.00 H new ATOM 0 HG12 ILE A 33 30.063 9.617 -0.954 1.00 0.00 H new ATOM 0 HG13 ILE A 33 31.111 9.915 -2.327 1.00 0.00 H new ATOM 0 HG21 ILE A 33 32.388 7.855 0.479 1.00 0.00 H new ATOM 0 HG22 ILE A 33 33.011 9.204 1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 33 31.257 8.936 1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 33 30.283 7.578 -2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 33 32.049 7.609 -2.129 1.00 0.00 H new ATOM 0 HD13 ILE A 33 30.985 7.306 -0.735 1.00 0.00 H new ATOM 581 N LYS A 34 30.407 12.326 -1.541 1.00 0.00 N ATOM 582 CA LYS A 34 30.094 13.226 -2.690 1.00 0.00 C ATOM 583 C LYS A 34 30.972 12.876 -3.895 1.00 0.00 C ATOM 584 O LYS A 34 31.989 13.494 -4.136 1.00 0.00 O ATOM 585 CB LYS A 34 30.408 14.635 -2.187 1.00 0.00 C ATOM 586 CG LYS A 34 29.101 15.397 -1.964 1.00 0.00 C ATOM 587 CD LYS A 34 28.809 16.280 -3.179 1.00 0.00 C ATOM 588 CE LYS A 34 27.325 16.178 -3.537 1.00 0.00 C ATOM 589 NZ LYS A 34 27.273 16.370 -5.014 1.00 0.00 N ATOM 0 H LYS A 34 29.601 11.867 -1.118 1.00 0.00 H new ATOM 0 HA LYS A 34 29.058 13.131 -3.017 1.00 0.00 H new ATOM 0 HB2 LYS A 34 30.975 14.583 -1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 34 31.030 15.161 -2.911 1.00 0.00 H new ATOM 0 HG2 LYS A 34 28.282 14.696 -1.806 1.00 0.00 H new ATOM 0 HG3 LYS A 34 29.174 16.010 -1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 34 29.071 17.315 -2.961 1.00 0.00 H new ATOM 0 HD3 LYS A 34 29.421 15.967 -4.025 1.00 0.00 H new ATOM 0 HE2 LYS A 34 26.915 15.210 -3.250 1.00 0.00 H new ATOM 0 HE3 LYS A 34 26.740 16.938 -3.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 26.286 16.313 -5.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 27.664 17.303 -5.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 27.833 15.628 -5.480 1.00 0.00 H new ATOM 603 N GLY A 35 30.584 11.887 -4.654 1.00 0.00 N ATOM 604 CA GLY A 35 31.394 11.497 -5.843 1.00 0.00 C ATOM 605 C GLY A 35 30.862 10.181 -6.412 1.00 0.00 C ATOM 606 O GLY A 35 31.108 9.919 -7.578 1.00 0.00 O ATOM 607 OXT GLY A 35 30.217 9.456 -5.672 1.00 0.00 O ATOM 0 H GLY A 35 29.741 11.333 -4.502 1.00 0.00 H new ATOM 0 HA2 GLY A 35 31.347 12.279 -6.601 1.00 0.00 H new ATOM 0 HA3 GLY A 35 32.442 11.387 -5.563 1.00 0.00 H new TER 611 GLY A 35 ATOM 612 N GLY B 1 23.611 -5.726 13.877 1.00 0.00 N ATOM 613 CA GLY B 1 24.190 -4.963 12.735 1.00 0.00 C ATOM 614 C GLY B 1 25.353 -5.752 12.132 1.00 0.00 C ATOM 615 O GLY B 1 26.421 -5.838 12.704 1.00 0.00 O ATOM 0 H1 GLY B 1 22.820 -5.190 14.287 1.00 0.00 H new ATOM 0 H2 GLY B 1 23.267 -6.648 13.540 1.00 0.00 H new ATOM 0 H3 GLY B 1 24.342 -5.874 14.602 1.00 0.00 H new ATOM 0 HA2 GLY B 1 23.426 -4.785 11.978 1.00 0.00 H new ATOM 0 HA3 GLY B 1 24.536 -3.987 13.074 1.00 0.00 H new ATOM 621 N GLU B 2 25.155 -6.331 10.979 1.00 0.00 N ATOM 622 CA GLU B 2 26.252 -7.115 10.341 1.00 0.00 C ATOM 623 C GLU B 2 26.971 -6.267 9.287 1.00 0.00 C ATOM 624 O GLU B 2 28.074 -6.573 8.880 1.00 0.00 O ATOM 625 CB GLU B 2 25.557 -8.309 9.687 1.00 0.00 C ATOM 626 CG GLU B 2 25.994 -9.598 10.386 1.00 0.00 C ATOM 627 CD GLU B 2 25.421 -10.804 9.640 1.00 0.00 C ATOM 628 OE1 GLU B 2 25.917 -11.102 8.566 1.00 0.00 O ATOM 629 OE2 GLU B 2 24.495 -11.409 10.156 1.00 0.00 O ATOM 0 H GLU B 2 24.283 -6.295 10.452 1.00 0.00 H new ATOM 0 HA GLU B 2 27.007 -7.427 11.062 1.00 0.00 H new ATOM 0 HB2 GLU B 2 24.475 -8.195 9.754 1.00 0.00 H new ATOM 0 HB3 GLU B 2 25.808 -8.354 8.627 1.00 0.00 H new ATOM 0 HG2 GLU B 2 27.082 -9.658 10.414 1.00 0.00 H new ATOM 0 HG3 GLU B 2 25.648 -9.599 11.420 1.00 0.00 H new ATOM 636 N VAL B 3 26.358 -5.203 8.842 1.00 0.00 N ATOM 637 CA VAL B 3 27.013 -4.342 7.815 1.00 0.00 C ATOM 638 C VAL B 3 27.966 -3.339 8.476 1.00 0.00 C ATOM 639 O VAL B 3 28.486 -2.450 7.831 1.00 0.00 O ATOM 640 CB VAL B 3 25.864 -3.610 7.122 1.00 0.00 C ATOM 641 CG1 VAL B 3 25.093 -2.780 8.151 1.00 0.00 C ATOM 642 CG2 VAL B 3 26.428 -2.686 6.041 1.00 0.00 C ATOM 0 H VAL B 3 25.434 -4.893 9.144 1.00 0.00 H new ATOM 0 HA VAL B 3 27.611 -4.926 7.115 1.00 0.00 H new ATOM 0 HB VAL B 3 25.192 -4.337 6.665 1.00 0.00 H new ATOM 0 HG11 VAL B 3 24.274 -2.258 7.657 1.00 0.00 H new ATOM 0 HG12 VAL B 3 24.692 -3.438 8.922 1.00 0.00 H new ATOM 0 HG13 VAL B 3 25.764 -2.052 8.608 1.00 0.00 H new ATOM 0 HG21 VAL B 3 25.610 -2.163 5.546 1.00 0.00 H new ATOM 0 HG22 VAL B 3 27.099 -1.959 6.498 1.00 0.00 H new ATOM 0 HG23 VAL B 3 26.977 -3.277 5.308 1.00 0.00 H new ATOM 652 N GLU B 4 28.203 -3.470 9.755 1.00 0.00 N ATOM 653 CA GLU B 4 29.125 -2.520 10.442 1.00 0.00 C ATOM 654 C GLU B 4 30.550 -2.671 9.899 1.00 0.00 C ATOM 655 O GLU B 4 31.391 -1.817 10.097 1.00 0.00 O ATOM 656 CB GLU B 4 29.070 -2.913 11.919 1.00 0.00 C ATOM 657 CG GLU B 4 28.663 -1.699 12.754 1.00 0.00 C ATOM 658 CD GLU B 4 28.709 -2.061 14.240 1.00 0.00 C ATOM 659 OE1 GLU B 4 29.790 -2.029 14.804 1.00 0.00 O ATOM 660 OE2 GLU B 4 27.662 -2.365 14.788 1.00 0.00 O ATOM 0 H GLU B 4 27.799 -4.192 10.352 1.00 0.00 H new ATOM 0 HA GLU B 4 28.836 -1.481 10.284 1.00 0.00 H new ATOM 0 HB2 GLU B 4 28.356 -3.724 12.064 1.00 0.00 H new ATOM 0 HB3 GLU B 4 30.042 -3.282 12.245 1.00 0.00 H new ATOM 0 HG2 GLU B 4 29.334 -0.864 12.552 1.00 0.00 H new ATOM 0 HG3 GLU B 4 27.659 -1.375 12.479 1.00 0.00 H new ATOM 667 N GLU B 5 30.830 -3.751 9.220 1.00 0.00 N ATOM 668 CA GLU B 5 32.202 -3.951 8.672 1.00 0.00 C ATOM 669 C GLU B 5 32.384 -3.146 7.384 1.00 0.00 C ATOM 670 O GLU B 5 33.386 -2.489 7.191 1.00 0.00 O ATOM 671 CB GLU B 5 32.298 -5.447 8.385 1.00 0.00 C ATOM 672 CG GLU B 5 32.918 -6.160 9.588 1.00 0.00 C ATOM 673 CD GLU B 5 34.407 -5.816 9.672 1.00 0.00 C ATOM 674 OE1 GLU B 5 35.028 -5.700 8.629 1.00 0.00 O ATOM 675 OE2 GLU B 5 34.901 -5.676 10.779 1.00 0.00 O ATOM 0 H GLU B 5 30.169 -4.502 9.022 1.00 0.00 H new ATOM 0 HA GLU B 5 32.974 -3.617 9.365 1.00 0.00 H new ATOM 0 HB2 GLU B 5 31.307 -5.853 8.180 1.00 0.00 H new ATOM 0 HB3 GLU B 5 32.904 -5.619 7.495 1.00 0.00 H new ATOM 0 HG2 GLU B 5 32.411 -5.857 10.505 1.00 0.00 H new ATOM 0 HG3 GLU B 5 32.787 -7.238 9.493 1.00 0.00 H new ATOM 682 N LEU B 6 31.426 -3.188 6.501 1.00 0.00 N ATOM 683 CA LEU B 6 31.552 -2.415 5.233 1.00 0.00 C ATOM 684 C LEU B 6 31.443 -0.917 5.552 1.00 0.00 C ATOM 685 O LEU B 6 32.016 -0.083 4.879 1.00 0.00 O ATOM 686 CB LEU B 6 30.398 -2.952 4.341 1.00 0.00 C ATOM 687 CG LEU B 6 29.577 -1.829 3.676 1.00 0.00 C ATOM 688 CD1 LEU B 6 30.398 -1.154 2.577 1.00 0.00 C ATOM 689 CD2 LEU B 6 28.319 -2.433 3.048 1.00 0.00 C ATOM 0 H LEU B 6 30.563 -3.722 6.601 1.00 0.00 H new ATOM 0 HA LEU B 6 32.506 -2.533 4.718 1.00 0.00 H new ATOM 0 HB2 LEU B 6 30.814 -3.597 3.567 1.00 0.00 H new ATOM 0 HB3 LEU B 6 29.735 -3.569 4.947 1.00 0.00 H new ATOM 0 HG LEU B 6 29.309 -1.091 4.432 1.00 0.00 H new ATOM 0 HD11 LEU B 6 29.807 -0.363 2.115 1.00 0.00 H new ATOM 0 HD12 LEU B 6 31.302 -0.726 3.009 1.00 0.00 H new ATOM 0 HD13 LEU B 6 30.671 -1.891 1.822 1.00 0.00 H new ATOM 0 HD21 LEU B 6 27.733 -1.644 2.576 1.00 0.00 H new ATOM 0 HD22 LEU B 6 28.605 -3.171 2.298 1.00 0.00 H new ATOM 0 HD23 LEU B 6 27.721 -2.915 3.822 1.00 0.00 H new ATOM 701 N GLU B 7 30.728 -0.576 6.587 1.00 0.00 N ATOM 702 CA GLU B 7 30.593 0.861 6.957 1.00 0.00 C ATOM 703 C GLU B 7 31.895 1.388 7.555 1.00 0.00 C ATOM 704 O GLU B 7 32.426 2.397 7.127 1.00 0.00 O ATOM 705 CB GLU B 7 29.480 0.906 7.999 1.00 0.00 C ATOM 706 CG GLU B 7 28.875 2.310 8.021 1.00 0.00 C ATOM 707 CD GLU B 7 27.445 2.246 8.560 1.00 0.00 C ATOM 708 OE1 GLU B 7 26.876 1.166 8.550 1.00 0.00 O ATOM 709 OE2 GLU B 7 26.943 3.277 8.976 1.00 0.00 O ATOM 0 H GLU B 7 30.231 -1.229 7.193 1.00 0.00 H new ATOM 0 HA GLU B 7 30.368 1.480 6.089 1.00 0.00 H new ATOM 0 HB2 GLU B 7 28.713 0.169 7.762 1.00 0.00 H new ATOM 0 HB3 GLU B 7 29.874 0.651 8.982 1.00 0.00 H new ATOM 0 HG2 GLU B 7 29.480 2.968 8.645 1.00 0.00 H new ATOM 0 HG3 GLU B 7 28.877 2.733 7.017 1.00 0.00 H new ATOM 716 N LYS B 8 32.412 0.722 8.549 1.00 0.00 N ATOM 717 CA LYS B 8 33.671 1.200 9.174 1.00 0.00 C ATOM 718 C LYS B 8 34.804 1.202 8.157 1.00 0.00 C ATOM 719 O LYS B 8 35.606 2.104 8.127 1.00 0.00 O ATOM 720 CB LYS B 8 33.957 0.220 10.310 1.00 0.00 C ATOM 721 CG LYS B 8 34.760 0.932 11.397 1.00 0.00 C ATOM 722 CD LYS B 8 33.814 1.760 12.269 1.00 0.00 C ATOM 723 CE LYS B 8 34.538 2.187 13.546 1.00 0.00 C ATOM 724 NZ LYS B 8 33.451 2.604 14.478 1.00 0.00 N ATOM 0 H LYS B 8 32.018 -0.128 8.952 1.00 0.00 H new ATOM 0 HA LYS B 8 33.582 2.223 9.541 1.00 0.00 H new ATOM 0 HB2 LYS B 8 33.022 -0.161 10.722 1.00 0.00 H new ATOM 0 HB3 LYS B 8 34.513 -0.639 9.934 1.00 0.00 H new ATOM 0 HG2 LYS B 8 35.291 0.203 12.009 1.00 0.00 H new ATOM 0 HG3 LYS B 8 35.513 1.577 10.944 1.00 0.00 H new ATOM 0 HD2 LYS B 8 33.473 2.638 11.721 1.00 0.00 H new ATOM 0 HD3 LYS B 8 32.928 1.176 12.519 1.00 0.00 H new ATOM 0 HE2 LYS B 8 35.123 1.367 13.962 1.00 0.00 H new ATOM 0 HE3 LYS B 8 35.230 3.007 13.353 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 33.866 2.912 15.380 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 32.915 3.390 14.057 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 32.812 1.801 14.647 1.00 0.00 H new ATOM 738 N LYS B 9 34.872 0.213 7.315 1.00 0.00 N ATOM 739 CA LYS B 9 35.955 0.187 6.293 1.00 0.00 C ATOM 740 C LYS B 9 35.736 1.329 5.306 1.00 0.00 C ATOM 741 O LYS B 9 36.664 1.844 4.714 1.00 0.00 O ATOM 742 CB LYS B 9 35.814 -1.167 5.598 1.00 0.00 C ATOM 743 CG LYS B 9 36.444 -2.256 6.469 1.00 0.00 C ATOM 744 CD LYS B 9 37.962 -2.070 6.500 1.00 0.00 C ATOM 745 CE LYS B 9 38.382 -1.528 7.867 1.00 0.00 C ATOM 746 NZ LYS B 9 39.621 -2.282 8.213 1.00 0.00 N ATOM 0 H LYS B 9 34.228 -0.577 7.288 1.00 0.00 H new ATOM 0 HA LYS B 9 36.949 0.311 6.722 1.00 0.00 H new ATOM 0 HB2 LYS B 9 34.762 -1.390 5.423 1.00 0.00 H new ATOM 0 HB3 LYS B 9 36.300 -1.140 4.623 1.00 0.00 H new ATOM 0 HG2 LYS B 9 36.040 -2.207 7.480 1.00 0.00 H new ATOM 0 HG3 LYS B 9 36.196 -3.241 6.074 1.00 0.00 H new ATOM 0 HD2 LYS B 9 38.459 -3.020 6.305 1.00 0.00 H new ATOM 0 HD3 LYS B 9 38.271 -1.381 5.713 1.00 0.00 H new ATOM 0 HE2 LYS B 9 38.571 -0.455 7.826 1.00 0.00 H new ATOM 0 HE3 LYS B 9 37.602 -1.686 8.612 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 39.972 -1.967 9.140 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 39.409 -3.299 8.251 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 40.348 -2.107 7.490 1.00 0.00 H new ATOM 760 N PHE B 10 34.509 1.730 5.133 1.00 0.00 N ATOM 761 CA PHE B 10 34.210 2.843 4.194 1.00 0.00 C ATOM 762 C PHE B 10 34.863 4.139 4.675 1.00 0.00 C ATOM 763 O PHE B 10 35.747 4.679 4.039 1.00 0.00 O ATOM 764 CB PHE B 10 32.685 2.983 4.225 1.00 0.00 C ATOM 765 CG PHE B 10 32.195 3.572 2.928 1.00 0.00 C ATOM 766 CD1 PHE B 10 32.245 2.808 1.744 1.00 0.00 C ATOM 767 CD2 PHE B 10 31.671 4.885 2.901 1.00 0.00 C ATOM 768 CE1 PHE B 10 31.768 3.352 0.530 1.00 0.00 C ATOM 769 CE2 PHE B 10 31.199 5.431 1.688 1.00 0.00 C ATOM 770 CZ PHE B 10 31.246 4.665 0.504 1.00 0.00 C ATOM 0 H PHE B 10 33.697 1.332 5.604 1.00 0.00 H new ATOM 0 HA PHE B 10 34.591 2.646 3.192 1.00 0.00 H new ATOM 0 HB2 PHE B 10 32.225 2.008 4.388 1.00 0.00 H new ATOM 0 HB3 PHE B 10 32.387 3.619 5.058 1.00 0.00 H new ATOM 0 HD1 PHE B 10 32.648 1.806 1.765 1.00 0.00 H new ATOM 0 HD2 PHE B 10 31.632 5.470 3.808 1.00 0.00 H new ATOM 0 HE1 PHE B 10 31.802 2.765 -0.376 1.00 0.00 H new ATOM 0 HE2 PHE B 10 30.802 6.435 1.666 1.00 0.00 H new ATOM 0 HZ PHE B 10 30.883 5.083 -0.423 1.00 0.00 H new ATOM 780 N LYS B 11 34.425 4.646 5.791 1.00 0.00 N ATOM 781 CA LYS B 11 34.997 5.921 6.304 1.00 0.00 C ATOM 782 C LYS B 11 36.481 5.756 6.649 1.00 0.00 C ATOM 783 O LYS B 11 37.255 6.694 6.579 1.00 0.00 O ATOM 784 CB LYS B 11 34.173 6.227 7.552 1.00 0.00 C ATOM 785 CG LYS B 11 32.678 6.197 7.216 1.00 0.00 C ATOM 786 CD LYS B 11 31.998 7.434 7.806 1.00 0.00 C ATOM 787 CE LYS B 11 31.689 7.190 9.284 1.00 0.00 C ATOM 788 NZ LYS B 11 31.880 8.515 9.939 1.00 0.00 N ATOM 0 H LYS B 11 33.695 4.233 6.371 1.00 0.00 H new ATOM 0 HA LYS B 11 34.950 6.725 5.569 1.00 0.00 H new ATOM 0 HB2 LYS B 11 34.393 5.497 8.331 1.00 0.00 H new ATOM 0 HB3 LYS B 11 34.446 7.206 7.946 1.00 0.00 H new ATOM 0 HG2 LYS B 11 32.538 6.172 6.135 1.00 0.00 H new ATOM 0 HG3 LYS B 11 32.222 5.292 7.617 1.00 0.00 H new ATOM 0 HD2 LYS B 11 32.645 8.304 7.698 1.00 0.00 H new ATOM 0 HD3 LYS B 11 31.079 7.651 7.262 1.00 0.00 H new ATOM 0 HE2 LYS B 11 30.671 6.825 9.420 1.00 0.00 H new ATOM 0 HE3 LYS B 11 32.356 6.440 9.708 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 31.686 8.430 10.957 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 32.860 8.834 9.799 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 31.227 9.207 9.519 1.00 0.00 H new ATOM 802 N GLU B 12 36.882 4.575 7.015 1.00 0.00 N ATOM 803 CA GLU B 12 38.312 4.345 7.365 1.00 0.00 C ATOM 804 C GLU B 12 39.163 4.307 6.101 1.00 0.00 C ATOM 805 O GLU B 12 40.355 4.537 6.138 1.00 0.00 O ATOM 806 CB GLU B 12 38.338 2.984 8.058 1.00 0.00 C ATOM 807 CG GLU B 12 37.966 3.152 9.533 1.00 0.00 C ATOM 808 CD GLU B 12 38.917 2.322 10.397 1.00 0.00 C ATOM 809 OE1 GLU B 12 39.270 1.232 9.976 1.00 0.00 O ATOM 810 OE2 GLU B 12 39.278 2.791 11.464 1.00 0.00 O ATOM 0 H GLU B 12 36.281 3.754 7.088 1.00 0.00 H new ATOM 0 HA GLU B 12 38.711 5.136 7.999 1.00 0.00 H new ATOM 0 HB2 GLU B 12 37.639 2.303 7.571 1.00 0.00 H new ATOM 0 HB3 GLU B 12 39.329 2.539 7.971 1.00 0.00 H new ATOM 0 HG2 GLU B 12 38.024 4.203 9.816 1.00 0.00 H new ATOM 0 HG3 GLU B 12 36.937 2.834 9.698 1.00 0.00 H new ATOM 817 N LEU B 13 38.565 4.015 4.981 1.00 0.00 N ATOM 818 CA LEU B 13 39.353 3.961 3.724 1.00 0.00 C ATOM 819 C LEU B 13 39.538 5.373 3.161 1.00 0.00 C ATOM 820 O LEU B 13 40.567 5.694 2.600 1.00 0.00 O ATOM 821 CB LEU B 13 38.534 3.081 2.780 1.00 0.00 C ATOM 822 CG LEU B 13 39.022 1.631 2.887 1.00 0.00 C ATOM 823 CD1 LEU B 13 38.217 0.748 1.938 1.00 0.00 C ATOM 824 CD2 LEU B 13 40.502 1.552 2.508 1.00 0.00 C ATOM 0 H LEU B 13 37.570 3.813 4.883 1.00 0.00 H new ATOM 0 HA LEU B 13 40.354 3.556 3.871 1.00 0.00 H new ATOM 0 HB2 LEU B 13 37.476 3.140 3.035 1.00 0.00 H new ATOM 0 HB3 LEU B 13 38.635 3.436 1.754 1.00 0.00 H new ATOM 0 HG LEU B 13 38.889 1.287 3.913 1.00 0.00 H new ATOM 0 HD11 LEU B 13 38.565 -0.282 2.016 1.00 0.00 H new ATOM 0 HD12 LEU B 13 37.161 0.795 2.205 1.00 0.00 H new ATOM 0 HD13 LEU B 13 38.348 1.099 0.915 1.00 0.00 H new ATOM 0 HD21 LEU B 13 40.843 0.520 2.586 1.00 0.00 H new ATOM 0 HD22 LEU B 13 40.635 1.902 1.484 1.00 0.00 H new ATOM 0 HD23 LEU B 13 41.085 2.178 3.184 1.00 0.00 H new ATOM 836 N TRP B 14 38.562 6.229 3.318 1.00 0.00 N ATOM 837 CA TRP B 14 38.718 7.622 2.800 1.00 0.00 C ATOM 838 C TRP B 14 39.762 8.362 3.628 1.00 0.00 C ATOM 839 O TRP B 14 40.606 9.063 3.106 1.00 0.00 O ATOM 840 CB TRP B 14 37.355 8.287 2.974 1.00 0.00 C ATOM 841 CG TRP B 14 36.700 8.419 1.643 1.00 0.00 C ATOM 842 CD1 TRP B 14 36.973 9.370 0.717 1.00 0.00 C ATOM 843 CD2 TRP B 14 35.673 7.577 1.075 1.00 0.00 C ATOM 844 NE1 TRP B 14 36.170 9.161 -0.390 1.00 0.00 N ATOM 845 CE2 TRP B 14 35.349 8.065 -0.221 1.00 0.00 C ATOM 846 CE3 TRP B 14 34.991 6.439 1.557 1.00 0.00 C ATOM 847 CZ2 TRP B 14 34.378 7.438 -1.016 1.00 0.00 C ATOM 848 CZ3 TRP B 14 34.016 5.801 0.767 1.00 0.00 C ATOM 849 CH2 TRP B 14 33.708 6.298 -0.521 1.00 0.00 C ATOM 0 H TRP B 14 37.673 6.028 3.777 1.00 0.00 H new ATOM 0 HA TRP B 14 39.042 7.633 1.759 1.00 0.00 H new ATOM 0 HB2 TRP B 14 36.731 7.694 3.642 1.00 0.00 H new ATOM 0 HB3 TRP B 14 37.472 9.268 3.434 1.00 0.00 H new ATOM 0 HD1 TRP B 14 37.699 10.162 0.826 1.00 0.00 H new ATOM 0 HE1 TRP B 14 36.183 9.744 -1.227 1.00 0.00 H new ATOM 0 HE3 TRP B 14 35.219 6.055 2.540 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 34.145 7.824 -1.998 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 33.502 4.930 1.145 1.00 0.00 H new ATOM 0 HH2 TRP B 14 32.961 5.806 -1.126 1.00 0.00 H new ATOM 860 N LYS B 15 39.703 8.215 4.920 1.00 0.00 N ATOM 861 CA LYS B 15 40.685 8.912 5.791 1.00 0.00 C ATOM 862 C LYS B 15 41.689 7.905 6.357 1.00 0.00 C ATOM 863 O LYS B 15 41.506 7.358 7.426 1.00 0.00 O ATOM 864 CB LYS B 15 39.835 9.531 6.896 1.00 0.00 C ATOM 865 CG LYS B 15 40.744 10.185 7.939 1.00 0.00 C ATOM 866 CD LYS B 15 41.595 11.265 7.268 1.00 0.00 C ATOM 867 CE LYS B 15 41.495 12.563 8.071 1.00 0.00 C ATOM 868 NZ LYS B 15 42.196 13.582 7.239 1.00 0.00 N ATOM 0 H LYS B 15 39.017 7.642 5.411 1.00 0.00 H new ATOM 0 HA LYS B 15 41.271 9.663 5.261 1.00 0.00 H new ATOM 0 HB2 LYS B 15 39.157 10.273 6.474 1.00 0.00 H new ATOM 0 HB3 LYS B 15 39.218 8.765 7.366 1.00 0.00 H new ATOM 0 HG2 LYS B 15 40.144 10.623 8.737 1.00 0.00 H new ATOM 0 HG3 LYS B 15 41.386 9.434 8.399 1.00 0.00 H new ATOM 0 HD2 LYS B 15 42.634 10.940 7.209 1.00 0.00 H new ATOM 0 HD3 LYS B 15 41.254 11.430 6.246 1.00 0.00 H new ATOM 0 HE2 LYS B 15 40.456 12.841 8.244 1.00 0.00 H new ATOM 0 HE3 LYS B 15 41.965 12.460 9.049 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 42.171 14.502 7.723 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 43.185 13.293 7.096 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 41.722 13.663 6.317 1.00 0.00 H new ATOM 882 N GLY B 16 42.746 7.652 5.633 1.00 0.00 N ATOM 883 CA GLY B 16 43.767 6.676 6.104 1.00 0.00 C ATOM 884 C GLY B 16 44.543 6.148 4.892 1.00 0.00 C ATOM 885 O GLY B 16 45.514 6.746 4.471 1.00 0.00 O ATOM 0 H GLY B 16 42.946 8.083 4.730 1.00 0.00 H new ATOM 0 HA2 GLY B 16 44.448 7.153 6.809 1.00 0.00 H new ATOM 0 HA3 GLY B 16 43.286 5.853 6.632 1.00 0.00 H new ATOM 889 N PRO B 17 44.080 5.045 4.361 1.00 0.00 N ATOM 890 CA PRO B 17 44.733 4.438 3.178 1.00 0.00 C ATOM 891 C PRO B 17 44.350 5.229 1.920 1.00 0.00 C ATOM 892 O PRO B 17 43.947 6.372 2.001 1.00 0.00 O ATOM 893 CB PRO B 17 44.152 3.027 3.137 1.00 0.00 C ATOM 894 CG PRO B 17 42.832 3.125 3.835 1.00 0.00 C ATOM 895 CD PRO B 17 42.920 4.269 4.813 1.00 0.00 C ATOM 0 HA PRO B 17 45.822 4.437 3.227 1.00 0.00 H new ATOM 0 HB2 PRO B 17 44.030 2.681 2.111 1.00 0.00 H new ATOM 0 HB3 PRO B 17 44.810 2.316 3.637 1.00 0.00 H new ATOM 0 HG2 PRO B 17 42.030 3.296 3.117 1.00 0.00 H new ATOM 0 HG3 PRO B 17 42.603 2.194 4.354 1.00 0.00 H new ATOM 0 HD2 PRO B 17 42.011 4.871 4.804 1.00 0.00 H new ATOM 0 HD3 PRO B 17 43.055 3.910 5.833 1.00 0.00 H new ATOM 903 N ARG B 18 44.467 4.634 0.760 1.00 0.00 N ATOM 904 CA ARG B 18 44.101 5.359 -0.494 1.00 0.00 C ATOM 905 C ARG B 18 42.724 6.027 -0.343 1.00 0.00 C ATOM 906 O ARG B 18 42.027 5.816 0.631 1.00 0.00 O ATOM 907 CB ARG B 18 44.093 4.277 -1.595 1.00 0.00 C ATOM 908 CG ARG B 18 42.766 3.494 -1.606 1.00 0.00 C ATOM 909 CD ARG B 18 42.620 2.687 -0.314 1.00 0.00 C ATOM 910 NE ARG B 18 43.804 1.776 -0.284 1.00 0.00 N ATOM 911 CZ ARG B 18 43.973 0.883 -1.224 1.00 0.00 C ATOM 912 NH1 ARG B 18 42.943 0.412 -1.874 1.00 0.00 N ATOM 913 NH2 ARG B 18 45.173 0.459 -1.512 1.00 0.00 N ATOM 0 H ARG B 18 44.800 3.679 0.627 1.00 0.00 H new ATOM 0 HA ARG B 18 44.800 6.161 -0.733 1.00 0.00 H new ATOM 0 HB2 ARG B 18 44.249 4.744 -2.567 1.00 0.00 H new ATOM 0 HB3 ARG B 18 44.922 3.588 -1.436 1.00 0.00 H new ATOM 0 HG2 ARG B 18 41.929 4.184 -1.709 1.00 0.00 H new ATOM 0 HG3 ARG B 18 42.736 2.826 -2.467 1.00 0.00 H new ATOM 0 HD2 ARG B 18 42.604 3.340 0.558 1.00 0.00 H new ATOM 0 HD3 ARG B 18 41.688 2.122 -0.306 1.00 0.00 H new ATOM 0 HE ARG B 18 44.483 1.851 0.473 1.00 0.00 H new ATOM 0 HH11 ARG B 18 42.004 0.741 -1.649 1.00 0.00 H new ATOM 0 HH12 ARG B 18 43.077 -0.285 -2.607 1.00 0.00 H new ATOM 0 HH21 ARG B 18 45.979 0.824 -1.004 1.00 0.00 H new ATOM 0 HH22 ARG B 18 45.305 -0.238 -2.245 1.00 0.00 H new ATOM 927 N ARG B 19 42.325 6.823 -1.294 1.00 0.00 N ATOM 928 CA ARG B 19 40.996 7.488 -1.189 1.00 0.00 C ATOM 929 C ARG B 19 40.308 7.525 -2.556 1.00 0.00 C ATOM 930 O ARG B 19 39.120 7.303 -2.668 1.00 0.00 O ATOM 931 CB ARG B 19 41.295 8.904 -0.700 1.00 0.00 C ATOM 932 CG ARG B 19 39.980 9.654 -0.475 1.00 0.00 C ATOM 933 CD ARG B 19 40.216 11.157 -0.638 1.00 0.00 C ATOM 934 NE ARG B 19 40.314 11.680 0.754 1.00 0.00 N ATOM 935 CZ ARG B 19 40.086 12.943 0.993 1.00 0.00 C ATOM 936 NH1 ARG B 19 41.054 13.812 0.892 1.00 0.00 N ATOM 937 NH2 ARG B 19 38.889 13.336 1.335 1.00 0.00 N ATOM 0 H ARG B 19 42.858 7.042 -2.136 1.00 0.00 H new ATOM 0 HA ARG B 19 40.325 6.958 -0.513 1.00 0.00 H new ATOM 0 HB2 ARG B 19 41.868 8.867 0.226 1.00 0.00 H new ATOM 0 HB3 ARG B 19 41.906 9.432 -1.432 1.00 0.00 H new ATOM 0 HG2 ARG B 19 39.228 9.314 -1.187 1.00 0.00 H new ATOM 0 HG3 ARG B 19 39.594 9.442 0.522 1.00 0.00 H new ATOM 0 HD2 ARG B 19 41.128 11.355 -1.200 1.00 0.00 H new ATOM 0 HD3 ARG B 19 39.398 11.629 -1.181 1.00 0.00 H new ATOM 0 HE ARG B 19 40.559 11.052 1.519 1.00 0.00 H new ATOM 0 HH11 ARG B 19 41.990 13.505 0.626 1.00 0.00 H new ATOM 0 HH12 ARG B 19 40.875 14.799 1.079 1.00 0.00 H new ATOM 0 HH21 ARG B 19 38.133 12.656 1.415 1.00 0.00 H new ATOM 0 HH22 ARG B 19 38.710 14.323 1.522 1.00 0.00 H new ATOM 951 N GLY B 20 41.043 7.804 -3.597 1.00 0.00 N ATOM 952 CA GLY B 20 40.424 7.853 -4.951 1.00 0.00 C ATOM 953 C GLY B 20 39.908 6.462 -5.323 1.00 0.00 C ATOM 954 O GLY B 20 38.866 6.317 -5.930 1.00 0.00 O ATOM 0 H GLY B 20 42.044 8.000 -3.569 1.00 0.00 H new ATOM 0 HA2 GLY B 20 39.605 8.572 -4.963 1.00 0.00 H new ATOM 0 HA3 GLY B 20 41.155 8.190 -5.686 1.00 0.00 H new ATOM 958 N GLU B 21 40.629 5.436 -4.961 1.00 0.00 N ATOM 959 CA GLU B 21 40.178 4.053 -5.291 1.00 0.00 C ATOM 960 C GLU B 21 38.940 3.694 -4.466 1.00 0.00 C ATOM 961 O GLU B 21 38.110 2.910 -4.881 1.00 0.00 O ATOM 962 CB GLU B 21 41.355 3.153 -4.912 1.00 0.00 C ATOM 963 CG GLU B 21 42.137 2.776 -6.172 1.00 0.00 C ATOM 964 CD GLU B 21 43.335 1.907 -5.786 1.00 0.00 C ATOM 965 OE1 GLU B 21 43.211 1.147 -4.840 1.00 0.00 O ATOM 966 OE2 GLU B 21 44.358 2.016 -6.443 1.00 0.00 O ATOM 0 H GLU B 21 41.511 5.495 -4.451 1.00 0.00 H new ATOM 0 HA GLU B 21 39.904 3.945 -6.340 1.00 0.00 H new ATOM 0 HB2 GLU B 21 42.008 3.668 -4.207 1.00 0.00 H new ATOM 0 HB3 GLU B 21 40.993 2.254 -4.413 1.00 0.00 H new ATOM 0 HG2 GLU B 21 41.492 2.237 -6.866 1.00 0.00 H new ATOM 0 HG3 GLU B 21 42.477 3.676 -6.685 1.00 0.00 H new ATOM 973 N ILE B 22 38.810 4.265 -3.300 1.00 0.00 N ATOM 974 CA ILE B 22 37.626 3.960 -2.447 1.00 0.00 C ATOM 975 C ILE B 22 36.374 4.590 -3.052 1.00 0.00 C ATOM 976 O ILE B 22 35.412 3.914 -3.360 1.00 0.00 O ATOM 977 CB ILE B 22 37.942 4.591 -1.094 1.00 0.00 C ATOM 978 CG1 ILE B 22 39.251 4.012 -0.562 1.00 0.00 C ATOM 979 CG2 ILE B 22 36.810 4.289 -0.114 1.00 0.00 C ATOM 980 CD1 ILE B 22 39.119 2.493 -0.424 1.00 0.00 C ATOM 0 H ILE B 22 39.473 4.930 -2.901 1.00 0.00 H new ATOM 0 HA ILE B 22 37.438 2.890 -2.362 1.00 0.00 H new ATOM 0 HB ILE B 22 38.041 5.671 -1.207 1.00 0.00 H new ATOM 0 HG12 ILE B 22 40.070 4.257 -1.238 1.00 0.00 H new ATOM 0 HG13 ILE B 22 39.491 4.456 0.404 1.00 0.00 H new ATOM 0 HG21 ILE B 22 37.036 4.740 0.853 1.00 0.00 H new ATOM 0 HG22 ILE B 22 35.877 4.701 -0.498 1.00 0.00 H new ATOM 0 HG23 ILE B 22 36.709 3.210 0.004 1.00 0.00 H new ATOM 0 HD11 ILE B 22 40.053 2.080 -0.044 1.00 0.00 H new ATOM 0 HD12 ILE B 22 38.311 2.259 0.269 1.00 0.00 H new ATOM 0 HD13 ILE B 22 38.899 2.057 -1.398 1.00 0.00 H new ATOM 992 N GLU B 23 36.381 5.879 -3.233 1.00 0.00 N ATOM 993 CA GLU B 23 35.200 6.548 -3.829 1.00 0.00 C ATOM 994 C GLU B 23 34.934 5.952 -5.215 1.00 0.00 C ATOM 995 O GLU B 23 33.804 5.859 -5.662 1.00 0.00 O ATOM 996 CB GLU B 23 35.596 8.024 -3.892 1.00 0.00 C ATOM 997 CG GLU B 23 34.438 8.851 -4.438 1.00 0.00 C ATOM 998 CD GLU B 23 34.801 9.393 -5.822 1.00 0.00 C ATOM 999 OE1 GLU B 23 35.589 10.322 -5.883 1.00 0.00 O ATOM 1000 OE2 GLU B 23 34.286 8.870 -6.796 1.00 0.00 O ATOM 0 H GLU B 23 37.156 6.497 -2.993 1.00 0.00 H new ATOM 0 HA GLU B 23 34.279 6.418 -3.261 1.00 0.00 H new ATOM 0 HB2 GLU B 23 35.870 8.378 -2.898 1.00 0.00 H new ATOM 0 HB3 GLU B 23 36.473 8.147 -4.527 1.00 0.00 H new ATOM 0 HG2 GLU B 23 33.539 8.239 -4.501 1.00 0.00 H new ATOM 0 HG3 GLU B 23 34.216 9.675 -3.760 1.00 0.00 H new ATOM 1007 N GLU B 24 35.962 5.504 -5.882 1.00 0.00 N ATOM 1008 CA GLU B 24 35.752 4.873 -7.212 1.00 0.00 C ATOM 1009 C GLU B 24 34.896 3.623 -7.016 1.00 0.00 C ATOM 1010 O GLU B 24 34.009 3.327 -7.793 1.00 0.00 O ATOM 1011 CB GLU B 24 37.150 4.505 -7.709 1.00 0.00 C ATOM 1012 CG GLU B 24 37.036 3.709 -9.010 1.00 0.00 C ATOM 1013 CD GLU B 24 37.913 4.357 -10.083 1.00 0.00 C ATOM 1014 OE1 GLU B 24 39.121 4.208 -10.002 1.00 0.00 O ATOM 1015 OE2 GLU B 24 37.362 4.991 -10.967 1.00 0.00 O ATOM 0 H GLU B 24 36.931 5.548 -5.565 1.00 0.00 H new ATOM 0 HA GLU B 24 35.245 5.522 -7.926 1.00 0.00 H new ATOM 0 HB2 GLU B 24 37.739 5.408 -7.873 1.00 0.00 H new ATOM 0 HB3 GLU B 24 37.672 3.917 -6.955 1.00 0.00 H new ATOM 0 HG2 GLU B 24 37.346 2.677 -8.846 1.00 0.00 H new ATOM 0 HG3 GLU B 24 35.998 3.681 -9.342 1.00 0.00 H new ATOM 1022 N LEU B 25 35.151 2.904 -5.957 1.00 0.00 N ATOM 1023 CA LEU B 25 34.351 1.681 -5.667 1.00 0.00 C ATOM 1024 C LEU B 25 32.921 2.085 -5.306 1.00 0.00 C ATOM 1025 O LEU B 25 31.986 1.340 -5.510 1.00 0.00 O ATOM 1026 CB LEU B 25 35.034 1.022 -4.466 1.00 0.00 C ATOM 1027 CG LEU B 25 35.277 -0.464 -4.755 1.00 0.00 C ATOM 1028 CD1 LEU B 25 35.830 -1.141 -3.499 1.00 0.00 C ATOM 1029 CD2 LEU B 25 33.961 -1.139 -5.152 1.00 0.00 C ATOM 0 H LEU B 25 35.882 3.112 -5.277 1.00 0.00 H new ATOM 0 HA LEU B 25 34.301 1.005 -6.520 1.00 0.00 H new ATOM 0 HB2 LEU B 25 35.981 1.520 -4.256 1.00 0.00 H new ATOM 0 HB3 LEU B 25 34.412 1.132 -3.577 1.00 0.00 H new ATOM 0 HG LEU B 25 35.992 -0.558 -5.572 1.00 0.00 H new ATOM 0 HD11 LEU B 25 36.004 -2.198 -3.702 1.00 0.00 H new ATOM 0 HD12 LEU B 25 36.769 -0.667 -3.214 1.00 0.00 H new ATOM 0 HD13 LEU B 25 35.111 -1.041 -2.685 1.00 0.00 H new ATOM 0 HD21 LEU B 25 34.141 -2.195 -5.356 1.00 0.00 H new ATOM 0 HD22 LEU B 25 33.243 -1.044 -4.337 1.00 0.00 H new ATOM 0 HD23 LEU B 25 33.561 -0.660 -6.046 1.00 0.00 H new ATOM 1041 N HIS B 26 32.746 3.269 -4.778 1.00 0.00 N ATOM 1042 CA HIS B 26 31.375 3.727 -4.418 1.00 0.00 C ATOM 1043 C HIS B 26 30.565 3.928 -5.698 1.00 0.00 C ATOM 1044 O HIS B 26 29.366 3.735 -5.726 1.00 0.00 O ATOM 1045 CB HIS B 26 31.565 5.046 -3.668 1.00 0.00 C ATOM 1046 CG HIS B 26 30.221 5.661 -3.400 1.00 0.00 C ATOM 1047 ND1 HIS B 26 29.342 5.152 -2.457 1.00 0.00 N ATOM 1048 CD2 HIS B 26 29.587 6.736 -3.961 1.00 0.00 C ATOM 1049 CE1 HIS B 26 28.236 5.918 -2.481 1.00 0.00 C ATOM 1050 NE2 HIS B 26 28.333 6.899 -3.381 1.00 0.00 N ATOM 0 H HIS B 26 33.493 3.936 -4.582 1.00 0.00 H new ATOM 0 HA HIS B 26 30.836 3.008 -3.801 1.00 0.00 H new ATOM 0 HB2 HIS B 26 32.092 4.872 -2.730 1.00 0.00 H new ATOM 0 HB3 HIS B 26 32.179 5.728 -4.257 1.00 0.00 H new ATOM 0 HD1 HIS B 26 29.504 4.345 -1.855 1.00 0.00 H new ATOM 0 HD2 HIS B 26 29.998 7.364 -4.738 1.00 0.00 H new ATOM 0 HE1 HIS B 26 27.375 5.759 -1.849 1.00 0.00 H new ATOM 1058 N LYS B 27 31.213 4.294 -6.768 1.00 0.00 N ATOM 1059 CA LYS B 27 30.470 4.469 -8.047 1.00 0.00 C ATOM 1060 C LYS B 27 30.087 3.083 -8.575 1.00 0.00 C ATOM 1061 O LYS B 27 28.931 2.795 -8.826 1.00 0.00 O ATOM 1062 CB LYS B 27 31.447 5.166 -8.993 1.00 0.00 C ATOM 1063 CG LYS B 27 30.708 6.246 -9.785 1.00 0.00 C ATOM 1064 CD LYS B 27 31.331 7.612 -9.489 1.00 0.00 C ATOM 1065 CE LYS B 27 32.684 7.719 -10.194 1.00 0.00 C ATOM 1066 NZ LYS B 27 32.438 8.618 -11.357 1.00 0.00 N ATOM 0 H LYS B 27 32.215 4.478 -6.813 1.00 0.00 H new ATOM 0 HA LYS B 27 29.555 5.052 -7.939 1.00 0.00 H new ATOM 0 HB2 LYS B 27 32.264 5.611 -8.425 1.00 0.00 H new ATOM 0 HB3 LYS B 27 31.891 4.440 -9.674 1.00 0.00 H new ATOM 0 HG2 LYS B 27 30.765 6.032 -10.852 1.00 0.00 H new ATOM 0 HG3 LYS B 27 29.652 6.250 -9.516 1.00 0.00 H new ATOM 0 HD2 LYS B 27 30.668 8.407 -9.829 1.00 0.00 H new ATOM 0 HD3 LYS B 27 31.458 7.741 -8.414 1.00 0.00 H new ATOM 0 HE2 LYS B 27 33.444 8.130 -9.530 1.00 0.00 H new ATOM 0 HE3 LYS B 27 33.039 6.741 -10.518 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 33.321 8.742 -11.893 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 31.714 8.197 -11.974 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 32.107 9.543 -11.017 1.00 0.00 H new ATOM 1080 N LYS B 28 31.051 2.210 -8.716 1.00 0.00 N ATOM 1081 CA LYS B 28 30.739 0.833 -9.194 1.00 0.00 C ATOM 1082 C LYS B 28 29.702 0.202 -8.259 1.00 0.00 C ATOM 1083 O LYS B 28 28.956 -0.675 -8.640 1.00 0.00 O ATOM 1084 CB LYS B 28 32.064 0.073 -9.124 1.00 0.00 C ATOM 1085 CG LYS B 28 32.066 -1.045 -10.168 1.00 0.00 C ATOM 1086 CD LYS B 28 33.388 -1.022 -10.938 1.00 0.00 C ATOM 1087 CE LYS B 28 33.877 -2.455 -11.155 1.00 0.00 C ATOM 1088 NZ LYS B 28 35.354 -2.334 -11.320 1.00 0.00 N ATOM 0 H LYS B 28 32.036 2.391 -8.521 1.00 0.00 H new ATOM 0 HA LYS B 28 30.327 0.818 -10.203 1.00 0.00 H new ATOM 0 HB2 LYS B 28 32.896 0.754 -9.303 1.00 0.00 H new ATOM 0 HB3 LYS B 28 32.203 -0.345 -8.127 1.00 0.00 H new ATOM 0 HG2 LYS B 28 31.933 -2.011 -9.682 1.00 0.00 H new ATOM 0 HG3 LYS B 28 31.230 -0.916 -10.856 1.00 0.00 H new ATOM 0 HD2 LYS B 28 33.253 -0.523 -11.898 1.00 0.00 H new ATOM 0 HD3 LYS B 28 34.134 -0.452 -10.384 1.00 0.00 H new ATOM 0 HE2 LYS B 28 33.625 -3.091 -10.307 1.00 0.00 H new ATOM 0 HE3 LYS B 28 33.416 -2.901 -12.036 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 35.765 -3.277 -11.474 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 35.563 -1.728 -12.139 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 35.766 -1.913 -10.463 1.00 0.00 H new ATOM 1102 N PHE B 29 29.645 0.669 -7.039 1.00 0.00 N ATOM 1103 CA PHE B 29 28.651 0.138 -6.065 1.00 0.00 C ATOM 1104 C PHE B 29 27.253 0.544 -6.519 1.00 0.00 C ATOM 1105 O PHE B 29 26.389 -0.286 -6.721 1.00 0.00 O ATOM 1106 CB PHE B 29 29.022 0.807 -4.737 1.00 0.00 C ATOM 1107 CG PHE B 29 30.000 -0.049 -3.942 1.00 0.00 C ATOM 1108 CD1 PHE B 29 30.643 -1.178 -4.522 1.00 0.00 C ATOM 1109 CD2 PHE B 29 30.260 0.284 -2.595 1.00 0.00 C ATOM 1110 CE1 PHE B 29 31.534 -1.957 -3.753 1.00 0.00 C ATOM 1111 CE2 PHE B 29 31.151 -0.497 -1.831 1.00 0.00 C ATOM 1112 CZ PHE B 29 31.786 -1.615 -2.407 1.00 0.00 C ATOM 0 H PHE B 29 30.252 1.403 -6.674 1.00 0.00 H new ATOM 0 HA PHE B 29 28.659 -0.948 -5.978 1.00 0.00 H new ATOM 0 HB2 PHE B 29 29.464 1.784 -4.930 1.00 0.00 H new ATOM 0 HB3 PHE B 29 28.121 0.976 -4.148 1.00 0.00 H new ATOM 0 HD1 PHE B 29 30.449 -1.439 -5.552 1.00 0.00 H new ATOM 0 HD2 PHE B 29 29.775 1.139 -2.149 1.00 0.00 H new ATOM 0 HE1 PHE B 29 32.022 -2.814 -4.194 1.00 0.00 H new ATOM 0 HE2 PHE B 29 31.347 -0.238 -0.801 1.00 0.00 H new ATOM 0 HZ PHE B 29 32.467 -2.211 -1.818 1.00 0.00 H new ATOM 1122 N HIS B 30 27.035 1.815 -6.706 1.00 0.00 N ATOM 1123 CA HIS B 30 25.703 2.283 -7.172 1.00 0.00 C ATOM 1124 C HIS B 30 25.332 1.574 -8.477 1.00 0.00 C ATOM 1125 O HIS B 30 24.177 1.496 -8.846 1.00 0.00 O ATOM 1126 CB HIS B 30 25.878 3.785 -7.408 1.00 0.00 C ATOM 1127 CG HIS B 30 24.528 4.432 -7.560 1.00 0.00 C ATOM 1128 ND1 HIS B 30 23.861 5.017 -6.494 1.00 0.00 N ATOM 1129 CD2 HIS B 30 23.708 4.593 -8.648 1.00 0.00 C ATOM 1130 CE1 HIS B 30 22.694 5.497 -6.961 1.00 0.00 C ATOM 1131 NE2 HIS B 30 22.550 5.265 -8.268 1.00 0.00 N ATOM 0 H HIS B 30 27.725 2.551 -6.555 1.00 0.00 H new ATOM 0 HA HIS B 30 24.909 2.073 -6.455 1.00 0.00 H new ATOM 0 HB2 HIS B 30 26.416 4.234 -6.573 1.00 0.00 H new ATOM 0 HB3 HIS B 30 26.477 3.956 -8.302 1.00 0.00 H new ATOM 0 HD1 HIS B 30 24.194 5.073 -5.532 1.00 0.00 H new ATOM 0 HD2 HIS B 30 23.928 4.250 -9.648 1.00 0.00 H new ATOM 0 HE1 HIS B 30 21.963 6.008 -6.353 1.00 0.00 H new ATOM 1139 N GLU B 31 26.306 1.063 -9.183 1.00 0.00 N ATOM 1140 CA GLU B 31 26.010 0.366 -10.469 1.00 0.00 C ATOM 1141 C GLU B 31 25.657 -1.108 -10.227 1.00 0.00 C ATOM 1142 O GLU B 31 24.871 -1.688 -10.950 1.00 0.00 O ATOM 1143 CB GLU B 31 27.300 0.476 -11.281 1.00 0.00 C ATOM 1144 CG GLU B 31 27.225 1.697 -12.200 1.00 0.00 C ATOM 1145 CD GLU B 31 28.600 1.951 -12.821 1.00 0.00 C ATOM 1146 OE1 GLU B 31 29.567 1.981 -12.078 1.00 0.00 O ATOM 1147 OE2 GLU B 31 28.663 2.112 -14.029 1.00 0.00 O ATOM 0 H GLU B 31 27.292 1.098 -8.925 1.00 0.00 H new ATOM 0 HA GLU B 31 25.156 0.809 -10.982 1.00 0.00 H new ATOM 0 HB2 GLU B 31 28.156 0.564 -10.612 1.00 0.00 H new ATOM 0 HB3 GLU B 31 27.448 -0.428 -11.872 1.00 0.00 H new ATOM 0 HG2 GLU B 31 26.485 1.532 -12.983 1.00 0.00 H new ATOM 0 HG3 GLU B 31 26.902 2.572 -11.635 1.00 0.00 H new ATOM 1154 N LEU B 32 26.234 -1.726 -9.230 1.00 0.00 N ATOM 1155 CA LEU B 32 25.926 -3.161 -8.973 1.00 0.00 C ATOM 1156 C LEU B 32 24.685 -3.305 -8.073 1.00 0.00 C ATOM 1157 O LEU B 32 24.209 -4.398 -7.837 1.00 0.00 O ATOM 1158 CB LEU B 32 27.205 -3.732 -8.315 1.00 0.00 C ATOM 1159 CG LEU B 32 27.172 -3.596 -6.782 1.00 0.00 C ATOM 1160 CD1 LEU B 32 26.653 -4.897 -6.165 1.00 0.00 C ATOM 1161 CD2 LEU B 32 28.583 -3.330 -6.257 1.00 0.00 C ATOM 0 H LEU B 32 26.901 -1.301 -8.587 1.00 0.00 H new ATOM 0 HA LEU B 32 25.679 -3.706 -9.884 1.00 0.00 H new ATOM 0 HB2 LEU B 32 27.313 -4.783 -8.584 1.00 0.00 H new ATOM 0 HB3 LEU B 32 28.078 -3.211 -8.707 1.00 0.00 H new ATOM 0 HG LEU B 32 26.516 -2.768 -6.512 1.00 0.00 H new ATOM 0 HD11 LEU B 32 26.630 -4.801 -5.079 1.00 0.00 H new ATOM 0 HD12 LEU B 32 25.647 -5.098 -6.533 1.00 0.00 H new ATOM 0 HD13 LEU B 32 27.312 -5.720 -6.442 1.00 0.00 H new ATOM 0 HD21 LEU B 32 28.555 -3.234 -5.172 1.00 0.00 H new ATOM 0 HD22 LEU B 32 29.236 -4.159 -6.532 1.00 0.00 H new ATOM 0 HD23 LEU B 32 28.965 -2.407 -6.693 1.00 0.00 H new ATOM 1173 N ILE B 33 24.162 -2.220 -7.565 1.00 0.00 N ATOM 1174 CA ILE B 33 22.960 -2.323 -6.679 1.00 0.00 C ATOM 1175 C ILE B 33 21.807 -1.471 -7.227 1.00 0.00 C ATOM 1176 O ILE B 33 20.650 -1.743 -6.974 1.00 0.00 O ATOM 1177 CB ILE B 33 23.432 -1.808 -5.312 1.00 0.00 C ATOM 1178 CG1 ILE B 33 23.709 -0.296 -5.403 1.00 0.00 C ATOM 1179 CG2 ILE B 33 24.705 -2.570 -4.919 1.00 0.00 C ATOM 1180 CD1 ILE B 33 24.441 0.211 -4.151 1.00 0.00 C ATOM 0 H ILE B 33 24.510 -1.274 -7.722 1.00 0.00 H new ATOM 0 HA ILE B 33 22.578 -3.342 -6.617 1.00 0.00 H new ATOM 0 HB ILE B 33 22.665 -1.972 -4.555 1.00 0.00 H new ATOM 0 HG12 ILE B 33 24.309 -0.086 -6.288 1.00 0.00 H new ATOM 0 HG13 ILE B 33 22.769 0.242 -5.521 1.00 0.00 H new ATOM 0 HG21 ILE B 33 25.056 -2.217 -3.949 1.00 0.00 H new ATOM 0 HG22 ILE B 33 24.487 -3.636 -4.860 1.00 0.00 H new ATOM 0 HG23 ILE B 33 25.478 -2.398 -5.668 1.00 0.00 H new ATOM 0 HD11 ILE B 33 24.623 1.282 -4.244 1.00 0.00 H new ATOM 0 HD12 ILE B 33 23.828 0.023 -3.270 1.00 0.00 H new ATOM 0 HD13 ILE B 33 25.392 -0.311 -4.049 1.00 0.00 H new ATOM 1192 N LYS B 34 22.113 -0.443 -7.972 1.00 0.00 N ATOM 1193 CA LYS B 34 21.033 0.422 -8.531 1.00 0.00 C ATOM 1194 C LYS B 34 20.080 0.868 -7.419 1.00 0.00 C ATOM 1195 O LYS B 34 19.034 0.286 -7.214 1.00 0.00 O ATOM 1196 CB LYS B 34 20.303 -0.459 -9.544 1.00 0.00 C ATOM 1197 CG LYS B 34 20.639 0.012 -10.961 1.00 0.00 C ATOM 1198 CD LYS B 34 19.520 0.920 -11.476 1.00 0.00 C ATOM 1199 CE LYS B 34 20.132 2.127 -12.189 1.00 0.00 C ATOM 1200 NZ LYS B 34 19.160 3.235 -11.969 1.00 0.00 N ATOM 0 H LYS B 34 23.063 -0.165 -8.218 1.00 0.00 H new ATOM 0 HA LYS B 34 21.428 1.328 -8.990 1.00 0.00 H new ATOM 0 HB2 LYS B 34 20.597 -1.501 -9.416 1.00 0.00 H new ATOM 0 HB3 LYS B 34 19.227 -0.409 -9.378 1.00 0.00 H new ATOM 0 HG2 LYS B 34 21.587 0.550 -10.962 1.00 0.00 H new ATOM 0 HG3 LYS B 34 20.759 -0.846 -11.622 1.00 0.00 H new ATOM 0 HD2 LYS B 34 18.875 0.368 -12.160 1.00 0.00 H new ATOM 0 HD3 LYS B 34 18.895 1.252 -10.647 1.00 0.00 H new ATOM 0 HE2 LYS B 34 21.111 2.373 -11.779 1.00 0.00 H new ATOM 0 HE3 LYS B 34 20.272 1.929 -13.252 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 19.509 4.100 -12.429 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 18.239 2.975 -12.375 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 19.052 3.405 -10.949 1.00 0.00 H new ATOM 1214 N GLY B 35 20.435 1.897 -6.699 1.00 0.00 N ATOM 1215 CA GLY B 35 19.551 2.379 -5.602 1.00 0.00 C ATOM 1216 C GLY B 35 20.295 3.425 -4.769 1.00 0.00 C ATOM 1217 O GLY B 35 19.632 4.210 -4.112 1.00 0.00 O ATOM 1218 OXT GLY B 35 21.514 3.422 -4.803 1.00 0.00 O ATOM 0 H GLY B 35 21.299 2.424 -6.824 1.00 0.00 H new ATOM 0 HA2 GLY B 35 18.640 2.810 -6.017 1.00 0.00 H new ATOM 0 HA3 GLY B 35 19.249 1.544 -4.970 1.00 0.00 H new TER 1222 GLY B 35