USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 276 hydrogens (11 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 NoAdj-H: A 18 ACAHN62 : A 18 ACA N6 : A 17 LYS C :(H bumps) USER MOD NoAdj-H: A 18 ACAHN61 : A 18 ACA N6 : A 17 LYS C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 166:sc=-0.00202 (180deg=-0.214) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.0036) USER MOD Single : A 22 GLN : amide:sc= -0.044 K(o=-0.044,f=-1.5!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -111:sc= 1.21 USER MOD Single : A 35 ASN : amide:sc=-0.000534 X(o=-0.00053,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.313 -5.176 -9.588 1.00 32.32 N ATOM 2 CA GLY A 1 -25.189 -5.304 -8.674 1.00 54.33 C ATOM 3 C GLY A 1 -24.767 -3.938 -8.130 1.00 22.14 C ATOM 4 O GLY A 1 -23.578 -3.679 -7.947 1.00 40.44 O ATOM 0 H1 GLY A 1 -26.430 -6.062 -10.121 1.00 32.32 H new ATOM 0 H2 GLY A 1 -27.180 -4.980 -9.047 1.00 32.32 H new ATOM 0 H3 GLY A 1 -26.134 -4.395 -10.251 1.00 32.32 H new ATOM 0 HA2 GLY A 1 -25.461 -5.961 -7.847 1.00 54.33 H new ATOM 0 HA3 GLY A 1 -24.349 -5.770 -9.188 1.00 54.33 H new ATOM 8 N ILE A 2 -25.764 -3.099 -7.886 1.00 3.35 N ATOM 9 CA ILE A 2 -25.510 -1.767 -7.367 1.00 72.41 C ATOM 10 C ILE A 2 -24.938 -1.876 -5.952 1.00 3.23 C ATOM 11 O ILE A 2 -25.122 -2.890 -5.281 1.00 23.45 O ATOM 12 CB ILE A 2 -26.774 -0.909 -7.454 1.00 21.43 C ATOM 13 CG1 ILE A 2 -26.439 0.514 -7.910 1.00 40.52 C ATOM 14 CG2 ILE A 2 -27.537 -0.921 -6.129 1.00 71.44 C ATOM 15 CD1 ILE A 2 -27.664 1.426 -7.801 1.00 5.04 C ATOM 0 H ILE A 2 -26.749 -3.317 -8.038 1.00 3.35 H new ATOM 0 HA ILE A 2 -24.763 -1.257 -7.975 1.00 72.41 H new ATOM 0 HB ILE A 2 -27.431 -1.343 -8.207 1.00 21.43 H new ATOM 0 HG12 ILE A 2 -25.628 0.914 -7.301 1.00 40.52 H new ATOM 0 HG13 ILE A 2 -26.085 0.496 -8.941 1.00 40.52 H new ATOM 0 HG21 ILE A 2 -28.431 -0.304 -6.218 1.00 71.44 H new ATOM 0 HG22 ILE A 2 -27.825 -1.943 -5.884 1.00 71.44 H new ATOM 0 HG23 ILE A 2 -26.900 -0.525 -5.339 1.00 71.44 H new ATOM 0 HD11 ILE A 2 -27.400 2.431 -8.131 1.00 5.04 H new ATOM 0 HD12 ILE A 2 -28.465 1.036 -8.430 1.00 5.04 H new ATOM 0 HD13 ILE A 2 -28.001 1.461 -6.765 1.00 5.04 H new ATOM 27 N GLY A 3 -24.254 -0.818 -5.542 1.00 21.51 N ATOM 28 CA GLY A 3 -23.654 -0.781 -4.219 1.00 5.25 C ATOM 29 C GLY A 3 -22.135 -0.619 -4.311 1.00 34.02 C ATOM 30 O GLY A 3 -21.386 -1.509 -3.911 1.00 51.24 O ATOM 0 H GLY A 3 -24.102 0.020 -6.103 1.00 21.51 H new ATOM 0 HA2 GLY A 3 -24.077 0.044 -3.647 1.00 5.25 H new ATOM 0 HA3 GLY A 3 -23.894 -1.698 -3.681 1.00 5.25 H new ATOM 34 N ALA A 4 -21.726 0.525 -4.840 1.00 20.05 N ATOM 35 CA ALA A 4 -20.310 0.816 -4.989 1.00 71.21 C ATOM 36 C ALA A 4 -19.735 1.240 -3.635 1.00 14.54 C ATOM 37 O ALA A 4 -18.518 1.304 -3.467 1.00 2.11 O ATOM 38 CB ALA A 4 -20.120 1.888 -6.065 1.00 21.54 C ATOM 0 H ALA A 4 -22.350 1.261 -5.171 1.00 20.05 H new ATOM 0 HA ALA A 4 -19.768 -0.072 -5.314 1.00 71.21 H new ATOM 0 HB1 ALA A 4 -19.058 2.107 -6.177 1.00 21.54 H new ATOM 0 HB2 ALA A 4 -20.518 1.526 -7.013 1.00 21.54 H new ATOM 0 HB3 ALA A 4 -20.648 2.795 -5.772 1.00 21.54 H new ATOM 44 N PHE A 5 -20.637 1.517 -2.706 1.00 33.20 N ATOM 45 CA PHE A 5 -20.235 1.932 -1.373 1.00 73.32 C ATOM 46 C PHE A 5 -19.191 0.977 -0.794 1.00 24.01 C ATOM 47 O PHE A 5 -18.247 1.409 -0.134 1.00 25.41 O ATOM 48 CB PHE A 5 -21.488 1.893 -0.496 1.00 41.40 C ATOM 49 CG PHE A 5 -22.657 2.712 -1.044 1.00 51.25 C ATOM 50 CD1 PHE A 5 -23.711 2.083 -1.633 1.00 22.41 C ATOM 51 CD2 PHE A 5 -22.645 4.068 -0.944 1.00 31.13 C ATOM 52 CE1 PHE A 5 -24.797 2.844 -2.142 1.00 45.14 C ATOM 53 CE2 PHE A 5 -23.731 4.829 -1.453 1.00 42.42 C ATOM 54 CZ PHE A 5 -24.785 4.200 -2.042 1.00 25.24 C ATOM 0 H PHE A 5 -21.645 1.462 -2.850 1.00 33.20 H new ATOM 0 HA PHE A 5 -19.795 2.929 -1.410 1.00 73.32 H new ATOM 0 HB2 PHE A 5 -21.806 0.857 -0.381 1.00 41.40 H new ATOM 0 HB3 PHE A 5 -21.235 2.261 0.498 1.00 41.40 H new ATOM 0 HD1 PHE A 5 -23.721 1.006 -1.713 1.00 22.41 H new ATOM 0 HD2 PHE A 5 -21.809 4.567 -0.477 1.00 31.13 H new ATOM 0 HE1 PHE A 5 -25.633 2.345 -2.609 1.00 45.14 H new ATOM 0 HE2 PHE A 5 -23.721 5.906 -1.373 1.00 42.42 H new ATOM 0 HZ PHE A 5 -25.611 4.778 -2.430 1.00 25.24 H new ATOM 64 N GLY A 6 -19.394 -0.305 -1.061 1.00 2.02 N ATOM 65 CA GLY A 6 -18.481 -1.325 -0.573 1.00 11.43 C ATOM 66 C GLY A 6 -17.170 -1.310 -1.363 1.00 55.50 C ATOM 67 O GLY A 6 -16.119 -1.666 -0.834 1.00 63.01 O ATOM 0 H GLY A 6 -20.177 -0.661 -1.609 1.00 2.02 H new ATOM 0 HA2 GLY A 6 -18.275 -1.158 0.484 1.00 11.43 H new ATOM 0 HA3 GLY A 6 -18.948 -2.306 -0.655 1.00 11.43 H new ATOM 71 N LEU A 7 -17.277 -0.895 -2.617 1.00 45.00 N ATOM 72 CA LEU A 7 -16.113 -0.829 -3.485 1.00 64.22 C ATOM 73 C LEU A 7 -15.207 0.316 -3.029 1.00 33.24 C ATOM 74 O LEU A 7 -13.997 0.280 -3.249 1.00 33.33 O ATOM 75 CB LEU A 7 -16.542 -0.729 -4.950 1.00 73.20 C ATOM 76 CG LEU A 7 -15.555 -1.286 -5.978 1.00 41.23 C ATOM 77 CD1 LEU A 7 -14.293 -0.424 -6.050 1.00 43.32 C ATOM 78 CD2 LEU A 7 -15.232 -2.754 -5.687 1.00 34.22 C ATOM 0 H LEU A 7 -18.151 -0.601 -3.053 1.00 45.00 H new ATOM 0 HA LEU A 7 -15.529 -1.746 -3.411 1.00 64.22 H new ATOM 0 HB2 LEU A 7 -17.491 -1.252 -5.066 1.00 73.20 H new ATOM 0 HB3 LEU A 7 -16.726 0.320 -5.183 1.00 73.20 H new ATOM 0 HG LEU A 7 -16.026 -1.248 -6.960 1.00 41.23 H new ATOM 0 HD11 LEU A 7 -13.608 -0.842 -6.788 1.00 43.32 H new ATOM 0 HD12 LEU A 7 -14.562 0.592 -6.339 1.00 43.32 H new ATOM 0 HD13 LEU A 7 -13.808 -0.407 -5.074 1.00 43.32 H new ATOM 0 HD21 LEU A 7 -14.529 -3.126 -6.432 1.00 34.22 H new ATOM 0 HD22 LEU A 7 -14.789 -2.839 -4.695 1.00 34.22 H new ATOM 0 HD23 LEU A 7 -16.148 -3.343 -5.727 1.00 34.22 H new ATOM 90 N LEU A 8 -15.826 1.305 -2.402 1.00 74.41 N ATOM 91 CA LEU A 8 -15.091 2.459 -1.913 1.00 21.14 C ATOM 92 C LEU A 8 -14.255 2.049 -0.699 1.00 40.35 C ATOM 93 O LEU A 8 -13.215 2.646 -0.425 1.00 13.52 O ATOM 94 CB LEU A 8 -16.043 3.625 -1.640 1.00 72.32 C ATOM 95 CG LEU A 8 -15.834 4.876 -2.495 1.00 50.42 C ATOM 96 CD1 LEU A 8 -14.558 5.614 -2.085 1.00 73.20 C ATOM 97 CD2 LEU A 8 -15.842 4.529 -3.985 1.00 54.01 C ATOM 0 H LEU A 8 -16.829 1.331 -2.221 1.00 74.41 H new ATOM 0 HA LEU A 8 -14.396 2.818 -2.672 1.00 21.14 H new ATOM 0 HB2 LEU A 8 -17.065 3.276 -1.787 1.00 72.32 H new ATOM 0 HB3 LEU A 8 -15.950 3.906 -0.591 1.00 72.32 H new ATOM 0 HG LEU A 8 -16.669 5.554 -2.318 1.00 50.42 H new ATOM 0 HD11 LEU A 8 -14.433 6.499 -2.709 1.00 73.20 H new ATOM 0 HD12 LEU A 8 -14.631 5.914 -1.040 1.00 73.20 H new ATOM 0 HD13 LEU A 8 -13.699 4.955 -2.214 1.00 73.20 H new ATOM 0 HD21 LEU A 8 -15.692 5.436 -4.571 1.00 54.01 H new ATOM 0 HD22 LEU A 8 -15.040 3.822 -4.198 1.00 54.01 H new ATOM 0 HD23 LEU A 8 -16.800 4.081 -4.249 1.00 54.01 H new ATOM 109 N GLY A 9 -14.743 1.033 -0.001 1.00 3.33 N ATOM 110 CA GLY A 9 -14.054 0.537 1.178 1.00 40.44 C ATOM 111 C GLY A 9 -12.908 -0.400 0.790 1.00 1.42 C ATOM 112 O GLY A 9 -11.831 -0.347 1.382 1.00 12.42 O ATOM 0 H GLY A 9 -15.607 0.541 -0.230 1.00 3.33 H new ATOM 0 HA2 GLY A 9 -13.664 1.375 1.755 1.00 40.44 H new ATOM 0 HA3 GLY A 9 -14.759 0.009 1.820 1.00 40.44 H new ATOM 116 N PHE A 10 -13.179 -1.235 -0.202 1.00 43.52 N ATOM 117 CA PHE A 10 -12.184 -2.182 -0.676 1.00 3.52 C ATOM 118 C PHE A 10 -11.075 -1.470 -1.453 1.00 74.23 C ATOM 119 O PHE A 10 -9.916 -1.877 -1.403 1.00 1.43 O ATOM 120 CB PHE A 10 -12.902 -3.155 -1.612 1.00 52.42 C ATOM 121 CG PHE A 10 -12.020 -3.705 -2.735 1.00 4.14 C ATOM 122 CD1 PHE A 10 -11.975 -3.071 -3.937 1.00 1.11 C ATOM 123 CD2 PHE A 10 -11.281 -4.828 -2.531 1.00 65.22 C ATOM 124 CE1 PHE A 10 -11.156 -3.582 -4.978 1.00 33.23 C ATOM 125 CE2 PHE A 10 -10.462 -5.339 -3.572 1.00 21.40 C ATOM 126 CZ PHE A 10 -10.416 -4.705 -4.774 1.00 72.42 C ATOM 0 H PHE A 10 -14.073 -1.276 -0.691 1.00 43.52 H new ATOM 0 HA PHE A 10 -11.726 -2.695 0.170 1.00 3.52 H new ATOM 0 HB2 PHE A 10 -13.288 -3.989 -1.026 1.00 52.42 H new ATOM 0 HB3 PHE A 10 -13.762 -2.651 -2.053 1.00 52.42 H new ATOM 0 HD1 PHE A 10 -12.562 -2.179 -4.100 1.00 1.11 H new ATOM 0 HD2 PHE A 10 -11.317 -5.332 -1.576 1.00 65.22 H new ATOM 0 HE1 PHE A 10 -11.120 -3.079 -5.933 1.00 33.23 H new ATOM 0 HE2 PHE A 10 -9.876 -6.231 -3.409 1.00 21.40 H new ATOM 0 HZ PHE A 10 -9.792 -5.093 -5.566 1.00 72.42 H new ATOM 136 N LEU A 11 -11.471 -0.417 -2.155 1.00 63.42 N ATOM 137 CA LEU A 11 -10.526 0.356 -2.941 1.00 4.03 C ATOM 138 C LEU A 11 -9.626 1.162 -2.003 1.00 63.22 C ATOM 139 O LEU A 11 -8.415 1.231 -2.204 1.00 2.35 O ATOM 140 CB LEU A 11 -11.262 1.213 -3.973 1.00 33.23 C ATOM 141 CG LEU A 11 -10.401 1.801 -5.094 1.00 51.04 C ATOM 142 CD1 LEU A 11 -11.249 2.115 -6.328 1.00 34.11 C ATOM 143 CD2 LEU A 11 -9.624 3.025 -4.605 1.00 11.30 C ATOM 0 H LEU A 11 -12.434 -0.082 -2.195 1.00 63.42 H new ATOM 0 HA LEU A 11 -9.877 -0.306 -3.514 1.00 4.03 H new ATOM 0 HB2 LEU A 11 -12.048 0.607 -4.425 1.00 33.23 H new ATOM 0 HB3 LEU A 11 -11.753 2.034 -3.450 1.00 33.23 H new ATOM 0 HG LEU A 11 -9.667 1.052 -5.390 1.00 51.04 H new ATOM 0 HD11 LEU A 11 -10.614 2.532 -7.110 1.00 34.11 H new ATOM 0 HD12 LEU A 11 -11.717 1.200 -6.690 1.00 34.11 H new ATOM 0 HD13 LEU A 11 -12.021 2.838 -6.065 1.00 34.11 H new ATOM 0 HD21 LEU A 11 -9.021 3.423 -5.421 1.00 11.30 H new ATOM 0 HD22 LEU A 11 -10.324 3.789 -4.265 1.00 11.30 H new ATOM 0 HD23 LEU A 11 -8.973 2.737 -3.780 1.00 11.30 H new ATOM 155 N ALA A 12 -10.252 1.752 -0.995 1.00 41.33 N ATOM 156 CA ALA A 12 -9.523 2.550 -0.023 1.00 54.41 C ATOM 157 C ALA A 12 -8.568 1.646 0.758 1.00 32.03 C ATOM 158 O ALA A 12 -7.535 2.102 1.244 1.00 22.52 O ATOM 159 CB ALA A 12 -10.515 3.276 0.887 1.00 61.30 C ATOM 0 H ALA A 12 -11.257 1.693 -0.830 1.00 41.33 H new ATOM 0 HA ALA A 12 -8.922 3.310 -0.522 1.00 54.41 H new ATOM 0 HB1 ALA A 12 -9.969 3.875 1.616 1.00 61.30 H new ATOM 0 HB2 ALA A 12 -11.151 3.927 0.286 1.00 61.30 H new ATOM 0 HB3 ALA A 12 -11.133 2.545 1.408 1.00 61.30 H new ATOM 165 N ALA A 13 -8.948 0.381 0.855 1.00 44.11 N ATOM 166 CA ALA A 13 -8.137 -0.591 1.570 1.00 50.53 C ATOM 167 C ALA A 13 -6.802 -0.768 0.845 1.00 23.55 C ATOM 168 O ALA A 13 -5.748 -0.814 1.479 1.00 55.15 O ATOM 169 CB ALA A 13 -8.910 -1.906 1.697 1.00 10.34 C ATOM 0 H ALA A 13 -9.806 0.006 0.451 1.00 44.11 H new ATOM 0 HA ALA A 13 -7.920 -0.241 2.579 1.00 50.53 H new ATOM 0 HB1 ALA A 13 -8.302 -2.635 2.233 1.00 10.34 H new ATOM 0 HB2 ALA A 13 -9.836 -1.732 2.245 1.00 10.34 H new ATOM 0 HB3 ALA A 13 -9.143 -2.288 0.703 1.00 10.34 H new ATOM 175 N GLY A 14 -6.889 -0.859 -0.474 1.00 74.20 N ATOM 176 CA GLY A 14 -5.700 -1.028 -1.292 1.00 53.54 C ATOM 177 C GLY A 14 -4.783 0.192 -1.188 1.00 54.23 C ATOM 178 O GLY A 14 -3.570 0.077 -1.353 1.00 15.32 O ATOM 0 H GLY A 14 -7.764 -0.819 -0.996 1.00 74.20 H new ATOM 0 HA2 GLY A 14 -5.161 -1.921 -0.975 1.00 53.54 H new ATOM 0 HA3 GLY A 14 -5.989 -1.182 -2.332 1.00 53.54 H new ATOM 182 N SER A 15 -5.399 1.332 -0.914 1.00 35.22 N ATOM 183 CA SER A 15 -4.654 2.573 -0.786 1.00 71.15 C ATOM 184 C SER A 15 -3.705 2.492 0.412 1.00 24.12 C ATOM 185 O SER A 15 -2.695 3.193 0.457 1.00 34.21 O ATOM 186 CB SER A 15 -5.596 3.769 -0.635 1.00 51.03 C ATOM 187 OG SER A 15 -4.934 5.006 -0.885 1.00 3.23 O ATOM 0 H SER A 15 -6.406 1.423 -0.777 1.00 35.22 H new ATOM 0 HA SER A 15 -4.071 2.717 -1.696 1.00 71.15 H new ATOM 0 HB2 SER A 15 -6.433 3.660 -1.325 1.00 51.03 H new ATOM 0 HB3 SER A 15 -6.012 3.778 0.372 1.00 51.03 H new ATOM 0 HG SER A 15 -5.570 5.744 -0.780 1.00 3.23 H new ATOM 193 N LYS A 16 -4.062 1.630 1.352 1.00 41.50 N ATOM 194 CA LYS A 16 -3.255 1.447 2.546 1.00 5.51 C ATOM 195 C LYS A 16 -1.793 1.242 2.142 1.00 40.01 C ATOM 196 O LYS A 16 -0.913 1.979 2.586 1.00 50.03 O ATOM 197 CB LYS A 16 -3.820 0.315 3.407 1.00 4.44 C ATOM 198 CG LYS A 16 -5.274 0.591 3.789 1.00 52.42 C ATOM 199 CD LYS A 16 -5.383 1.044 5.246 1.00 63.11 C ATOM 200 CE LYS A 16 -6.841 1.063 5.708 1.00 31.03 C ATOM 201 NZ LYS A 16 -7.589 2.139 5.020 1.00 24.51 N ATOM 0 H LYS A 16 -4.900 1.050 1.311 1.00 41.50 H new ATOM 0 HA LYS A 16 -3.291 2.340 3.171 1.00 5.51 H new ATOM 0 HB2 LYS A 16 -3.756 -0.627 2.863 1.00 4.44 H new ATOM 0 HB3 LYS A 16 -3.218 0.204 4.309 1.00 4.44 H new ATOM 0 HG2 LYS A 16 -5.686 1.359 3.134 1.00 52.42 H new ATOM 0 HG3 LYS A 16 -5.870 -0.309 3.639 1.00 52.42 H new ATOM 0 HD2 LYS A 16 -4.805 0.374 5.883 1.00 63.11 H new ATOM 0 HD3 LYS A 16 -4.951 2.039 5.354 1.00 63.11 H new ATOM 0 HE2 LYS A 16 -7.307 0.099 5.502 1.00 31.03 H new ATOM 0 HE3 LYS A 16 -6.885 1.214 6.787 1.00 31.03 H new ATOM 0 HZ1 LYS A 16 -8.577 2.138 5.345 1.00 24.51 H new ATOM 0 HZ2 LYS A 16 -7.154 3.058 5.238 1.00 24.51 H new ATOM 0 HZ3 LYS A 16 -7.563 1.978 3.993 1.00 24.51 H new ATOM 214 N LYS A 17 -1.579 0.238 1.305 1.00 12.13 N ATOM 215 CA LYS A 17 -0.239 -0.074 0.836 1.00 73.42 C ATOM 216 C LYS A 17 0.221 1.014 -0.137 1.00 12.03 C ATOM 217 O LYS A 17 0.888 1.967 0.261 1.00 63.30 O ATOM 218 CB LYS A 17 -0.192 -1.485 0.248 1.00 22.23 C ATOM 219 CG LYS A 17 -0.344 -2.541 1.345 1.00 64.24 C ATOM 220 CD LYS A 17 0.980 -3.264 1.598 1.00 62.00 C ATOM 221 CE LYS A 17 0.740 -4.701 2.064 1.00 32.32 C ATOM 222 NZ LYS A 17 2.026 -5.368 2.370 1.00 51.33 N ATOM 0 H LYS A 17 -2.311 -0.371 0.939 1.00 12.13 H new ATOM 0 HA LYS A 17 0.465 -0.078 1.668 1.00 73.42 H new ATOM 0 HB2 LYS A 17 -0.987 -1.603 -0.488 1.00 22.23 H new ATOM 0 HB3 LYS A 17 0.752 -1.633 -0.276 1.00 22.23 H new ATOM 0 HG2 LYS A 17 -0.685 -2.068 2.266 1.00 64.24 H new ATOM 0 HG3 LYS A 17 -1.107 -3.263 1.056 1.00 64.24 H new ATOM 0 HD2 LYS A 17 1.576 -3.269 0.685 1.00 62.00 H new ATOM 0 HD3 LYS A 17 1.555 -2.725 2.351 1.00 62.00 H new ATOM 0 HE2 LYS A 17 0.104 -4.701 2.949 1.00 32.32 H new ATOM 0 HE3 LYS A 17 0.210 -5.257 1.290 1.00 32.32 H new ATOM 0 HZ1 LYS A 17 1.845 -6.343 2.685 1.00 51.33 H new ATOM 0 HZ2 LYS A 17 2.620 -5.384 1.517 1.00 51.33 H new ATOM 0 HZ3 LYS A 17 2.517 -4.846 3.124 1.00 51.33 H new HETATM 235 C1 ACA A 18 1.388 1.728 -7.747 1.00 52.04 C HETATM 236 O1 ACA A 18 1.915 0.646 -7.493 1.00 61.13 O HETATM 237 C2 ACA A 18 1.620 2.478 -6.492 1.00 21.24 C HETATM 238 C3 ACA A 18 0.597 2.074 -5.429 1.00 40.10 C HETATM 239 C4 ACA A 18 1.100 0.884 -4.609 1.00 22.22 C HETATM 240 C5 ACA A 18 1.454 1.310 -3.183 1.00 33.23 C HETATM 241 C6 ACA A 18 0.211 1.788 -2.429 1.00 42.51 C HETATM 242 N6 ACA A 18 -0.155 0.834 -1.396 1.00 24.11 N HETATM 0 H62 ACA A 18 0.403 2.763 -1.981 1.00 42.51 H new HETATM 0 H61 ACA A 18 -0.618 1.915 -3.125 1.00 42.51 H new HETATM 0 H52 ACA A 18 1.907 0.473 -2.651 1.00 33.23 H new HETATM 0 H51 ACA A 18 2.196 2.108 -3.212 1.00 33.23 H new HETATM 0 H42 ACA A 18 0.335 0.108 -4.581 1.00 22.22 H new HETATM 0 H41 ACA A 18 1.976 0.450 -5.091 1.00 22.22 H new HETATM 0 H32 ACA A 18 0.401 2.919 -4.768 1.00 40.10 H new HETATM 0 H31 ACA A 18 -0.348 1.817 -5.908 1.00 40.10 H new HETATM 0 H22 ACA A 18 2.629 2.284 -6.127 1.00 21.24 H new HETATM 0 H21 ACA A 18 1.551 3.549 -6.683 1.00 21.24 H new ATOM 254 N LYS A 19 0.147 1.874 -8.189 1.00 41.32 N ATOM 255 CA LYS A 19 -0.707 0.721 -8.414 1.00 42.42 C ATOM 256 C LYS A 19 -0.173 -0.081 -9.603 1.00 61.31 C ATOM 257 O LYS A 19 0.154 -1.259 -9.465 1.00 61.40 O ATOM 258 CB LYS A 19 -2.166 1.156 -8.570 1.00 11.25 C ATOM 259 CG LYS A 19 -2.965 0.864 -7.299 1.00 15.31 C ATOM 260 CD LYS A 19 -3.980 1.975 -7.022 1.00 32.43 C ATOM 261 CE LYS A 19 -3.647 2.709 -5.721 1.00 15.24 C ATOM 262 NZ LYS A 19 -4.824 3.464 -5.237 1.00 60.11 N ATOM 0 HA LYS A 19 -0.687 0.059 -7.549 1.00 42.42 H new ATOM 0 HB2 LYS A 19 -2.209 2.222 -8.794 1.00 11.25 H new ATOM 0 HB3 LYS A 19 -2.616 0.634 -9.415 1.00 11.25 H new ATOM 0 HG2 LYS A 19 -3.483 -0.089 -7.402 1.00 15.31 H new ATOM 0 HG3 LYS A 19 -2.286 0.768 -6.452 1.00 15.31 H new ATOM 0 HD2 LYS A 19 -3.986 2.682 -7.851 1.00 32.43 H new ATOM 0 HD3 LYS A 19 -4.982 1.550 -6.958 1.00 32.43 H new ATOM 0 HE2 LYS A 19 -3.330 1.993 -4.963 1.00 15.24 H new ATOM 0 HE3 LYS A 19 -2.812 3.391 -5.884 1.00 15.24 H new ATOM 0 HZ1 LYS A 19 -4.581 3.956 -4.354 1.00 60.11 H new ATOM 0 HZ2 LYS A 19 -5.109 4.161 -5.955 1.00 60.11 H new ATOM 0 HZ3 LYS A 19 -5.610 2.806 -5.062 1.00 60.11 H new ATOM 275 N ASN A 20 -0.101 0.590 -10.743 1.00 40.44 N ATOM 276 CA ASN A 20 0.387 -0.045 -11.955 1.00 45.52 C ATOM 277 C ASN A 20 1.092 0.999 -12.824 1.00 52.34 C ATOM 278 O ASN A 20 0.813 2.192 -12.715 1.00 24.13 O ATOM 279 CB ASN A 20 -0.765 -0.639 -12.769 1.00 74.30 C ATOM 280 CG ASN A 20 -0.768 -2.166 -12.682 1.00 71.13 C ATOM 281 OD1 ASN A 20 -1.725 -2.787 -12.248 1.00 14.02 O ATOM 282 ND2 ASN A 20 0.352 -2.735 -13.117 1.00 41.12 N ATOM 0 H ASN A 20 -0.372 1.567 -10.853 1.00 40.44 H new ATOM 0 HA ASN A 20 1.072 -0.842 -11.666 1.00 45.52 H new ATOM 0 HB2 ASN A 20 -1.714 -0.248 -12.401 1.00 74.30 H new ATOM 0 HB3 ASN A 20 -0.676 -0.331 -13.811 1.00 74.30 H new ATOM 0 HD21 ASN A 20 0.448 -3.750 -13.100 1.00 41.12 H new ATOM 0 HD22 ASN A 20 1.115 -2.156 -13.468 1.00 41.12 H new ATOM 289 N GLU A 21 1.990 0.511 -13.667 1.00 25.30 N ATOM 290 CA GLU A 21 2.737 1.387 -14.554 1.00 50.12 C ATOM 291 C GLU A 21 1.815 1.962 -15.631 1.00 62.14 C ATOM 292 O GLU A 21 1.838 3.163 -15.896 1.00 5.30 O ATOM 293 CB GLU A 21 3.921 0.650 -15.182 1.00 51.33 C ATOM 294 CG GLU A 21 4.974 0.306 -14.128 1.00 4.44 C ATOM 295 CD GLU A 21 5.595 -1.067 -14.400 1.00 73.24 C ATOM 296 OE1 GLU A 21 5.678 -1.901 -13.486 1.00 5.52 O ATOM 297 OE2 GLU A 21 5.996 -1.253 -15.611 1.00 21.41 O ATOM 0 H GLU A 21 2.217 -0.479 -13.755 1.00 25.30 H new ATOM 0 HA GLU A 21 3.136 2.213 -13.966 1.00 50.12 H new ATOM 0 HB2 GLU A 21 3.571 -0.263 -15.664 1.00 51.33 H new ATOM 0 HB3 GLU A 21 4.368 1.269 -15.960 1.00 51.33 H new ATOM 0 HG2 GLU A 21 5.754 1.068 -14.126 1.00 4.44 H new ATOM 0 HG3 GLU A 21 4.518 0.313 -13.138 1.00 4.44 H new ATOM 305 N GLN A 22 1.024 1.078 -16.223 1.00 3.21 N ATOM 306 CA GLN A 22 0.098 1.483 -17.265 1.00 54.14 C ATOM 307 C GLN A 22 -0.834 2.582 -16.749 1.00 21.44 C ATOM 308 O GLN A 22 -0.922 3.656 -17.343 1.00 51.15 O ATOM 309 CB GLN A 22 -0.702 0.286 -17.783 1.00 72.34 C ATOM 310 CG GLN A 22 -1.062 0.464 -19.259 1.00 11.34 C ATOM 311 CD GLN A 22 -2.150 -0.526 -19.682 1.00 24.40 C ATOM 312 OE1 GLN A 22 -2.907 -1.038 -18.875 1.00 65.24 O ATOM 313 NE2 GLN A 22 -2.185 -0.764 -20.989 1.00 1.41 N ATOM 0 H GLN A 22 1.006 0.083 -16.000 1.00 3.21 H new ATOM 0 HA GLN A 22 0.673 1.883 -18.100 1.00 54.14 H new ATOM 0 HB2 GLN A 22 -0.121 -0.627 -17.654 1.00 72.34 H new ATOM 0 HB3 GLN A 22 -1.612 0.170 -17.194 1.00 72.34 H new ATOM 0 HG2 GLN A 22 -1.406 1.484 -19.433 1.00 11.34 H new ATOM 0 HG3 GLN A 22 -0.174 0.318 -19.874 1.00 11.34 H new ATOM 0 HE21 GLN A 22 -1.521 -0.301 -21.610 1.00 1.41 H new ATOM 0 HE22 GLN A 22 -2.876 -1.410 -21.371 1.00 1.41 H new ATOM 322 N GLU A 23 -1.505 2.277 -15.648 1.00 64.12 N ATOM 323 CA GLU A 23 -2.425 3.226 -15.046 1.00 62.34 C ATOM 324 C GLU A 23 -1.723 4.561 -14.795 1.00 31.30 C ATOM 325 O GLU A 23 -2.350 5.618 -14.858 1.00 1.22 O ATOM 326 CB GLU A 23 -3.019 2.667 -13.750 1.00 13.45 C ATOM 327 CG GLU A 23 -4.147 1.677 -14.046 1.00 12.21 C ATOM 328 CD GLU A 23 -4.876 1.277 -12.762 1.00 53.41 C ATOM 329 OE1 GLU A 23 -4.812 0.109 -12.351 1.00 24.42 O ATOM 330 OE2 GLU A 23 -5.529 2.229 -12.187 1.00 2.12 O ATOM 0 H GLU A 23 -1.430 1.386 -15.157 1.00 64.12 H new ATOM 0 HA GLU A 23 -3.247 3.396 -15.741 1.00 62.34 H new ATOM 0 HB2 GLU A 23 -2.239 2.172 -13.172 1.00 13.45 H new ATOM 0 HB3 GLU A 23 -3.399 3.485 -13.138 1.00 13.45 H new ATOM 0 HG2 GLU A 23 -4.854 2.124 -14.746 1.00 12.21 H new ATOM 0 HG3 GLU A 23 -3.739 0.789 -14.529 1.00 12.21 H new ATOM 338 N LEU A 24 -0.431 4.471 -14.515 1.00 1.41 N ATOM 339 CA LEU A 24 0.363 5.659 -14.254 1.00 34.13 C ATOM 340 C LEU A 24 0.514 6.461 -15.550 1.00 43.33 C ATOM 341 O LEU A 24 0.578 7.689 -15.520 1.00 64.21 O ATOM 342 CB LEU A 24 1.697 5.282 -13.607 1.00 40.35 C ATOM 343 CG LEU A 24 2.283 6.305 -12.633 1.00 63.41 C ATOM 344 CD1 LEU A 24 2.826 5.619 -11.378 1.00 50.04 C ATOM 345 CD2 LEU A 24 3.344 7.168 -13.318 1.00 24.34 C ATOM 0 H LEU A 24 0.086 3.593 -14.463 1.00 1.41 H new ATOM 0 HA LEU A 24 -0.143 6.304 -13.535 1.00 34.13 H new ATOM 0 HB2 LEU A 24 1.567 4.338 -13.077 1.00 40.35 H new ATOM 0 HB3 LEU A 24 2.425 5.105 -14.399 1.00 40.35 H new ATOM 0 HG LEU A 24 1.481 6.971 -12.314 1.00 63.41 H new ATOM 0 HD11 LEU A 24 3.237 6.369 -10.702 1.00 50.04 H new ATOM 0 HD12 LEU A 24 2.019 5.083 -10.878 1.00 50.04 H new ATOM 0 HD13 LEU A 24 3.610 4.915 -11.658 1.00 50.04 H new ATOM 0 HD21 LEU A 24 3.745 7.887 -12.604 1.00 24.34 H new ATOM 0 HD22 LEU A 24 4.150 6.532 -13.683 1.00 24.34 H new ATOM 0 HD23 LEU A 24 2.894 7.701 -14.156 1.00 24.34 H new ATOM 357 N LEU A 25 0.566 5.733 -16.656 1.00 52.35 N ATOM 358 CA LEU A 25 0.707 6.361 -17.958 1.00 41.43 C ATOM 359 C LEU A 25 -0.506 7.253 -18.224 1.00 73.44 C ATOM 360 O LEU A 25 -0.375 8.328 -18.809 1.00 51.32 O ATOM 361 CB LEU A 25 0.942 5.304 -19.040 1.00 41.32 C ATOM 362 CG LEU A 25 0.044 5.398 -20.276 1.00 61.21 C ATOM 363 CD1 LEU A 25 0.457 6.572 -21.165 1.00 23.12 C ATOM 364 CD2 LEU A 25 0.028 4.075 -21.044 1.00 23.25 C ATOM 0 H LEU A 25 0.513 4.715 -16.677 1.00 52.35 H new ATOM 0 HA LEU A 25 1.586 7.005 -17.977 1.00 41.43 H new ATOM 0 HB2 LEU A 25 1.981 5.369 -19.364 1.00 41.32 H new ATOM 0 HB3 LEU A 25 0.809 4.319 -18.593 1.00 41.32 H new ATOM 0 HG LEU A 25 -0.976 5.589 -19.944 1.00 61.21 H new ATOM 0 HD11 LEU A 25 -0.197 6.616 -22.036 1.00 23.12 H new ATOM 0 HD12 LEU A 25 0.375 7.502 -20.602 1.00 23.12 H new ATOM 0 HD13 LEU A 25 1.488 6.436 -21.492 1.00 23.12 H new ATOM 0 HD21 LEU A 25 -0.617 4.169 -21.917 1.00 23.25 H new ATOM 0 HD22 LEU A 25 1.040 3.829 -21.365 1.00 23.25 H new ATOM 0 HD23 LEU A 25 -0.350 3.283 -20.397 1.00 23.25 H new ATOM 376 N GLU A 26 -1.661 6.776 -17.782 1.00 10.21 N ATOM 377 CA GLU A 26 -2.897 7.517 -17.965 1.00 32.52 C ATOM 378 C GLU A 26 -2.768 8.920 -17.368 1.00 31.04 C ATOM 379 O GLU A 26 -3.258 9.890 -17.942 1.00 35.01 O ATOM 380 CB GLU A 26 -4.082 6.767 -17.353 1.00 31.50 C ATOM 381 CG GLU A 26 -4.597 5.686 -18.305 1.00 13.20 C ATOM 382 CD GLU A 26 -5.014 6.290 -19.648 1.00 25.34 C ATOM 383 OE1 GLU A 26 -4.379 6.011 -20.676 1.00 51.14 O ATOM 384 OE2 GLU A 26 -6.035 7.075 -19.599 1.00 71.54 O ATOM 0 H GLU A 26 -1.766 5.885 -17.297 1.00 10.21 H new ATOM 0 HA GLU A 26 -3.085 7.614 -19.034 1.00 32.52 H new ATOM 0 HB2 GLU A 26 -3.781 6.312 -16.409 1.00 31.50 H new ATOM 0 HB3 GLU A 26 -4.884 7.470 -17.127 1.00 31.50 H new ATOM 0 HG2 GLU A 26 -3.821 4.937 -18.464 1.00 13.20 H new ATOM 0 HG3 GLU A 26 -5.446 5.174 -17.853 1.00 13.20 H new ATOM 392 N LEU A 27 -2.105 8.982 -16.222 1.00 52.42 N ATOM 393 CA LEU A 27 -1.906 10.249 -15.541 1.00 31.33 C ATOM 394 C LEU A 27 -0.985 11.136 -16.382 1.00 21.32 C ATOM 395 O LEU A 27 -1.083 12.361 -16.333 1.00 5.22 O ATOM 396 CB LEU A 27 -1.403 10.017 -14.115 1.00 30.31 C ATOM 397 CG LEU A 27 -1.958 10.961 -13.045 1.00 35.03 C ATOM 398 CD1 LEU A 27 -1.841 12.421 -13.488 1.00 13.44 C ATOM 399 CD2 LEU A 27 -3.396 10.587 -12.678 1.00 3.30 C ATOM 0 H LEU A 27 -1.699 8.175 -15.749 1.00 52.42 H new ATOM 0 HA LEU A 27 -2.853 10.779 -15.438 1.00 31.33 H new ATOM 0 HB2 LEU A 27 -1.644 8.993 -13.828 1.00 30.31 H new ATOM 0 HB3 LEU A 27 -0.316 10.100 -14.116 1.00 30.31 H new ATOM 0 HG LEU A 27 -1.355 10.849 -12.144 1.00 35.03 H new ATOM 0 HD11 LEU A 27 -2.242 13.071 -12.710 1.00 13.44 H new ATOM 0 HD12 LEU A 27 -0.793 12.666 -13.660 1.00 13.44 H new ATOM 0 HD13 LEU A 27 -2.404 12.568 -14.410 1.00 13.44 H new ATOM 0 HD21 LEU A 27 -3.767 11.273 -11.916 1.00 3.30 H new ATOM 0 HD22 LEU A 27 -4.027 10.654 -13.564 1.00 3.30 H new ATOM 0 HD23 LEU A 27 -3.420 9.568 -12.292 1.00 3.30 H new ATOM 411 N ASP A 28 -0.112 10.481 -17.133 1.00 34.35 N ATOM 412 CA ASP A 28 0.826 11.195 -17.983 1.00 32.23 C ATOM 413 C ASP A 28 0.052 11.967 -19.054 1.00 60.01 C ATOM 414 O ASP A 28 0.261 13.167 -19.232 1.00 14.41 O ATOM 415 CB ASP A 28 1.775 10.226 -18.692 1.00 62.31 C ATOM 416 CG ASP A 28 3.020 10.871 -19.303 1.00 21.21 C ATOM 417 OD1 ASP A 28 3.952 10.176 -19.735 1.00 21.33 O ATOM 418 OD2 ASP A 28 3.011 12.161 -19.327 1.00 53.53 O ATOM 0 H ASP A 28 -0.034 9.465 -17.171 1.00 34.35 H new ATOM 0 HA ASP A 28 1.405 11.871 -17.353 1.00 32.23 H new ATOM 0 HB2 ASP A 28 2.091 9.464 -17.979 1.00 62.31 H new ATOM 0 HB3 ASP A 28 1.225 9.715 -19.482 1.00 62.31 H new ATOM 424 N LYS A 29 -0.825 11.248 -19.738 1.00 54.22 N ATOM 425 CA LYS A 29 -1.632 11.850 -20.786 1.00 12.35 C ATOM 426 C LYS A 29 -2.458 12.994 -20.195 1.00 42.44 C ATOM 427 O LYS A 29 -2.739 13.979 -20.875 1.00 2.41 O ATOM 428 CB LYS A 29 -2.471 10.786 -21.494 1.00 54.04 C ATOM 429 CG LYS A 29 -1.581 9.712 -22.122 1.00 54.42 C ATOM 430 CD LYS A 29 -1.916 9.518 -23.602 1.00 74.23 C ATOM 431 CE LYS A 29 -3.043 8.499 -23.780 1.00 0.31 C ATOM 432 NZ LYS A 29 -2.609 7.396 -24.667 1.00 30.05 N ATOM 0 H LYS A 29 -0.995 10.254 -19.587 1.00 54.22 H new ATOM 0 HA LYS A 29 -0.994 12.283 -21.556 1.00 12.35 H new ATOM 0 HB2 LYS A 29 -3.156 10.325 -20.782 1.00 54.04 H new ATOM 0 HB3 LYS A 29 -3.082 11.254 -22.266 1.00 54.04 H new ATOM 0 HG2 LYS A 29 -0.534 9.995 -22.017 1.00 54.42 H new ATOM 0 HG3 LYS A 29 -1.711 8.770 -21.590 1.00 54.42 H new ATOM 0 HD2 LYS A 29 -2.211 10.472 -24.040 1.00 74.23 H new ATOM 0 HD3 LYS A 29 -1.029 9.182 -24.138 1.00 74.23 H new ATOM 0 HE2 LYS A 29 -3.336 8.099 -22.809 1.00 0.31 H new ATOM 0 HE3 LYS A 29 -3.921 8.989 -24.202 1.00 0.31 H new ATOM 0 HZ1 LYS A 29 -3.386 6.713 -24.777 1.00 30.05 H new ATOM 0 HZ2 LYS A 29 -2.351 7.780 -25.598 1.00 30.05 H new ATOM 0 HZ3 LYS A 29 -1.785 6.918 -24.249 1.00 30.05 H new ATOM 445 N TRP A 30 -2.826 12.824 -18.933 1.00 43.41 N ATOM 446 CA TRP A 30 -3.614 13.829 -18.241 1.00 13.40 C ATOM 447 C TRP A 30 -2.753 15.085 -18.090 1.00 1.21 C ATOM 448 O TRP A 30 -3.067 16.129 -18.657 1.00 14.24 O ATOM 449 CB TRP A 30 -4.134 13.295 -16.905 1.00 32.24 C ATOM 450 CG TRP A 30 -4.953 14.310 -16.105 1.00 22.43 C ATOM 451 CD1 TRP A 30 -6.277 14.507 -16.132 1.00 52.33 C ATOM 452 CD2 TRP A 30 -4.442 15.266 -15.151 1.00 25.03 C ATOM 453 NE1 TRP A 30 -6.657 15.515 -15.270 1.00 72.35 N ATOM 454 CE2 TRP A 30 -5.505 15.991 -14.654 1.00 60.34 C ATOM 455 CE3 TRP A 30 -3.125 15.509 -14.722 1.00 62.34 C ATOM 456 CZ2 TRP A 30 -5.362 17.008 -13.703 1.00 65.15 C ATOM 457 CZ3 TRP A 30 -2.999 16.528 -13.770 1.00 43.01 C ATOM 458 CH2 TRP A 30 -4.060 17.268 -13.260 1.00 5.35 C ATOM 0 H TRP A 30 -2.593 12.005 -18.372 1.00 43.41 H new ATOM 0 HA TRP A 30 -4.503 14.085 -18.817 1.00 13.40 H new ATOM 0 HB2 TRP A 30 -4.749 12.414 -17.092 1.00 32.24 H new ATOM 0 HB3 TRP A 30 -3.287 12.970 -16.301 1.00 32.24 H new ATOM 0 HD1 TRP A 30 -6.962 13.947 -16.751 1.00 52.33 H new ATOM 0 HE1 TRP A 30 -7.608 15.849 -15.113 1.00 72.35 H new ATOM 0 HE3 TRP A 30 -2.278 14.954 -15.097 1.00 62.34 H new ATOM 0 HZ2 TRP A 30 -6.211 17.562 -13.331 1.00 65.15 H new ATOM 0 HZ3 TRP A 30 -2.008 16.755 -13.406 1.00 43.01 H new ATOM 0 HH2 TRP A 30 -3.880 18.039 -12.526 1.00 5.35 H new ATOM 469 N ALA A 31 -1.684 14.940 -17.321 1.00 10.05 N ATOM 470 CA ALA A 31 -0.775 16.050 -17.088 1.00 4.31 C ATOM 471 C ALA A 31 -0.307 16.612 -18.432 1.00 40.24 C ATOM 472 O ALA A 31 0.017 17.794 -18.535 1.00 10.01 O ATOM 473 CB ALA A 31 0.391 15.580 -16.214 1.00 15.24 C ATOM 0 H ALA A 31 -1.427 14.072 -16.852 1.00 10.05 H new ATOM 0 HA ALA A 31 -1.280 16.854 -16.553 1.00 4.31 H new ATOM 0 HB1 ALA A 31 1.073 16.412 -16.039 1.00 15.24 H new ATOM 0 HB2 ALA A 31 0.008 15.218 -15.260 1.00 15.24 H new ATOM 0 HB3 ALA A 31 0.923 14.775 -16.720 1.00 15.24 H new ATOM 479 N SER A 32 -0.289 15.738 -19.428 1.00 24.50 N ATOM 480 CA SER A 32 0.134 16.133 -20.761 1.00 21.22 C ATOM 481 C SER A 32 -0.648 17.368 -21.213 1.00 1.10 C ATOM 482 O SER A 32 -0.126 18.201 -21.954 1.00 42.23 O ATOM 483 CB SER A 32 -0.055 14.989 -21.760 1.00 63.40 C ATOM 484 OG SER A 32 -1.256 15.132 -22.514 1.00 73.52 O ATOM 0 H SER A 32 -0.560 14.759 -19.339 1.00 24.50 H new ATOM 0 HA SER A 32 1.196 16.376 -20.726 1.00 21.22 H new ATOM 0 HB2 SER A 32 0.797 14.956 -22.439 1.00 63.40 H new ATOM 0 HB3 SER A 32 -0.074 14.040 -21.225 1.00 63.40 H new ATOM 0 HG SER A 32 -1.892 14.434 -22.251 1.00 73.52 H new ATOM 490 N LEU A 33 -1.887 17.447 -20.750 1.00 22.42 N ATOM 491 CA LEU A 33 -2.745 18.566 -21.097 1.00 72.20 C ATOM 492 C LEU A 33 -2.020 19.877 -20.784 1.00 31.11 C ATOM 493 O LEU A 33 -2.114 20.839 -21.545 1.00 30.31 O ATOM 494 CB LEU A 33 -4.103 18.434 -20.406 1.00 74.44 C ATOM 495 CG LEU A 33 -4.101 18.601 -18.885 1.00 70.43 C ATOM 496 CD1 LEU A 33 -4.331 20.063 -18.494 1.00 24.00 C ATOM 497 CD2 LEU A 33 -5.118 17.665 -18.228 1.00 32.44 C ATOM 0 H LEU A 33 -2.317 16.754 -20.137 1.00 22.42 H new ATOM 0 HA LEU A 33 -2.956 18.566 -22.166 1.00 72.20 H new ATOM 0 HB2 LEU A 33 -4.779 19.176 -20.832 1.00 74.44 H new ATOM 0 HB3 LEU A 33 -4.515 17.453 -20.643 1.00 74.44 H new ATOM 0 HG LEU A 33 -3.117 18.318 -18.512 1.00 70.43 H new ATOM 0 HD11 LEU A 33 -4.325 20.154 -17.408 1.00 24.00 H new ATOM 0 HD12 LEU A 33 -3.538 20.681 -18.915 1.00 24.00 H new ATOM 0 HD13 LEU A 33 -5.294 20.396 -18.881 1.00 24.00 H new ATOM 0 HD21 LEU A 33 -5.096 17.804 -17.147 1.00 32.44 H new ATOM 0 HD22 LEU A 33 -6.116 17.892 -18.603 1.00 32.44 H new ATOM 0 HD23 LEU A 33 -4.868 16.631 -18.466 1.00 32.44 H new ATOM 509 N TRP A 34 -1.314 19.872 -19.664 1.00 63.43 N ATOM 510 CA TRP A 34 -0.574 21.048 -19.240 1.00 1.20 C ATOM 511 C TRP A 34 0.418 21.407 -20.349 1.00 75.20 C ATOM 512 O TRP A 34 0.569 22.577 -20.697 1.00 50.03 O ATOM 513 CB TRP A 34 0.102 20.814 -17.887 1.00 10.44 C ATOM 514 CG TRP A 34 -0.856 20.867 -16.696 1.00 14.32 C ATOM 515 CD1 TRP A 34 -1.782 19.966 -16.340 1.00 14.50 C ATOM 516 CD2 TRP A 34 -0.945 21.918 -15.711 1.00 3.24 C ATOM 517 NE1 TRP A 34 -2.458 20.357 -15.203 1.00 33.13 N ATOM 518 CE2 TRP A 34 -1.933 21.583 -14.808 1.00 45.43 C ATOM 519 CE3 TRP A 34 -0.214 23.113 -15.587 1.00 42.24 C ATOM 520 CZ2 TRP A 34 -2.281 22.388 -13.718 1.00 24.44 C ATOM 521 CZ3 TRP A 34 -0.574 23.907 -14.491 1.00 51.34 C ATOM 522 CH2 TRP A 34 -1.567 23.584 -13.574 1.00 3.40 C ATOM 0 H TRP A 34 -1.238 19.072 -19.036 1.00 63.43 H new ATOM 0 HA TRP A 34 -1.247 21.892 -19.087 1.00 1.20 H new ATOM 0 HB2 TRP A 34 0.594 19.841 -17.902 1.00 10.44 H new ATOM 0 HB3 TRP A 34 0.881 21.563 -17.747 1.00 10.44 H new ATOM 0 HD1 TRP A 34 -1.975 19.049 -16.876 1.00 14.50 H new ATOM 0 HE1 TRP A 34 -3.205 19.842 -14.738 1.00 33.13 H new ATOM 0 HE3 TRP A 34 0.563 23.396 -16.282 1.00 42.24 H new ATOM 0 HZ2 TRP A 34 -3.058 22.102 -13.025 1.00 24.44 H new ATOM 0 HZ3 TRP A 34 -0.042 24.836 -14.348 1.00 51.34 H new ATOM 0 HH2 TRP A 34 -1.787 24.252 -12.754 1.00 3.40 H new ATOM 533 N ASN A 35 1.066 20.378 -20.875 1.00 24.43 N ATOM 534 CA ASN A 35 2.039 20.571 -21.937 1.00 1.32 C ATOM 535 C ASN A 35 1.523 19.916 -23.220 1.00 35.01 C ATOM 536 O ASN A 35 1.870 20.341 -24.321 1.00 50.20 O ATOM 537 CB ASN A 35 3.379 19.923 -21.582 1.00 42.45 C ATOM 538 CG ASN A 35 3.556 19.824 -20.065 1.00 51.42 C ATOM 539 OD1 ASN A 35 4.041 20.732 -19.411 1.00 61.31 O ATOM 540 ND2 ASN A 35 3.136 18.674 -19.546 1.00 73.23 N ATOM 0 H ASN A 35 0.936 19.408 -20.586 1.00 24.43 H new ATOM 0 HA ASN A 35 2.182 21.643 -22.072 1.00 1.32 H new ATOM 0 HB2 ASN A 35 3.434 18.928 -22.024 1.00 42.45 H new ATOM 0 HB3 ASN A 35 4.194 20.507 -22.009 1.00 42.45 H new ATOM 0 HD21 ASN A 35 3.210 18.510 -18.542 1.00 73.23 H new ATOM 0 HD22 ASN A 35 2.740 17.956 -20.152 1.00 73.23 H new TER 547 ASN A 35