USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 274 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.138 K(o=-0.14,f=-7.5!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0722 K(o=-0.072,f=-2!) USER MOD Single : A 15 GLN : amide:sc= -0.194 K(o=-0.19,f=-2.1!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -134:sc= -0.124 (180deg=-1.05) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 108:sc= -0.227 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.0016 X(o=-0.0016,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.177 0.899 -1.801 1.00 1.44 N ATOM 2 CA GLY A 1 2.186 -0.024 -1.279 1.00 42.31 C ATOM 3 C GLY A 1 1.475 -0.791 -2.376 1.00 14.13 C ATOM 4 O GLY A 1 0.349 -0.458 -2.747 1.00 52.40 O ATOM 0 H1 GLY A 1 3.635 1.399 -1.012 1.00 1.44 H new ATOM 0 H2 GLY A 1 3.893 0.371 -2.339 1.00 1.44 H new ATOM 0 H3 GLY A 1 2.713 1.589 -2.426 1.00 1.44 H new ATOM 0 HA2 GLY A 1 2.670 -0.728 -0.603 1.00 42.31 H new ATOM 0 HA3 GLY A 1 1.452 0.529 -0.692 1.00 42.31 H new ATOM 8 N CYS A 2 2.132 -1.821 -2.898 1.00 4.15 N ATOM 9 CA CYS A 2 1.557 -2.637 -3.960 1.00 45.00 C ATOM 10 C CYS A 2 2.104 -4.061 -3.908 1.00 53.12 C ATOM 11 O CYS A 2 3.079 -4.339 -3.209 1.00 11.42 O ATOM 12 CB CYS A 2 1.853 -2.015 -5.326 1.00 42.02 C ATOM 13 SG CYS A 2 3.623 -1.715 -5.639 1.00 74.44 S ATOM 0 H CYS A 2 3.064 -2.111 -2.602 1.00 4.15 H new ATOM 0 HA CYS A 2 0.478 -2.675 -3.812 1.00 45.00 H new ATOM 0 HB2 CYS A 2 1.464 -2.671 -6.104 1.00 42.02 H new ATOM 0 HB3 CYS A 2 1.315 -1.070 -5.407 1.00 42.02 H new ATOM 18 N LEU A 3 1.469 -4.959 -4.653 1.00 30.31 N ATOM 19 CA LEU A 3 1.891 -6.355 -4.693 1.00 33.30 C ATOM 20 C LEU A 3 2.894 -6.589 -5.818 1.00 31.00 C ATOM 21 O LEU A 3 2.648 -6.228 -6.968 1.00 34.10 O ATOM 22 CB LEU A 3 0.678 -7.270 -4.877 1.00 43.32 C ATOM 23 CG LEU A 3 -0.485 -7.046 -3.910 1.00 44.40 C ATOM 24 CD1 LEU A 3 -1.791 -7.522 -4.526 1.00 63.21 C ATOM 25 CD2 LEU A 3 -0.225 -7.756 -2.590 1.00 21.42 C ATOM 0 H LEU A 3 0.661 -4.746 -5.237 1.00 30.31 H new ATOM 0 HA LEU A 3 2.375 -6.590 -3.745 1.00 33.30 H new ATOM 0 HB2 LEU A 3 0.307 -7.148 -5.895 1.00 43.32 H new ATOM 0 HB3 LEU A 3 1.010 -8.304 -4.781 1.00 43.32 H new ATOM 0 HG LEU A 3 -0.569 -5.977 -3.714 1.00 44.40 H new ATOM 0 HD11 LEU A 3 -2.607 -7.354 -3.823 1.00 63.21 H new ATOM 0 HD12 LEU A 3 -1.983 -6.967 -5.444 1.00 63.21 H new ATOM 0 HD13 LEU A 3 -1.720 -8.586 -4.753 1.00 63.21 H new ATOM 0 HD21 LEU A 3 -1.063 -7.586 -1.914 1.00 21.42 H new ATOM 0 HD22 LEU A 3 -0.114 -8.826 -2.768 1.00 21.42 H new ATOM 0 HD23 LEU A 3 0.688 -7.366 -2.141 1.00 21.42 H new ATOM 37 N GLY A 4 4.026 -7.198 -5.478 1.00 10.23 N ATOM 38 CA GLY A 4 5.049 -7.471 -6.470 1.00 75.45 C ATOM 39 C GLY A 4 4.553 -8.380 -7.578 1.00 30.11 C ATOM 40 O GLY A 4 3.352 -8.627 -7.697 1.00 4.32 O ATOM 0 H GLY A 4 4.253 -7.507 -4.533 1.00 10.23 H new ATOM 0 HA2 GLY A 4 5.393 -6.531 -6.902 1.00 75.45 H new ATOM 0 HA3 GLY A 4 5.909 -7.932 -5.984 1.00 75.45 H new ATOM 44 N ILE A 5 5.478 -8.878 -8.391 1.00 43.33 N ATOM 45 CA ILE A 5 5.128 -9.763 -9.495 1.00 23.42 C ATOM 46 C ILE A 5 4.985 -11.205 -9.018 1.00 42.15 C ATOM 47 O ILE A 5 5.670 -11.634 -8.090 1.00 64.31 O ATOM 48 CB ILE A 5 6.181 -9.708 -10.617 1.00 44.42 C ATOM 49 CG1 ILE A 5 5.726 -10.543 -11.815 1.00 62.33 C ATOM 50 CG2 ILE A 5 7.528 -10.196 -10.105 1.00 20.02 C ATOM 51 CD1 ILE A 5 6.657 -10.452 -13.004 1.00 62.31 C ATOM 0 H ILE A 5 6.476 -8.684 -8.306 1.00 43.33 H new ATOM 0 HA ILE A 5 4.173 -9.415 -9.888 1.00 23.42 H new ATOM 0 HB ILE A 5 6.291 -8.673 -10.940 1.00 44.42 H new ATOM 0 HG12 ILE A 5 5.641 -11.586 -11.509 1.00 62.33 H new ATOM 0 HG13 ILE A 5 4.731 -10.217 -12.117 1.00 62.33 H new ATOM 0 HG21 ILE A 5 8.261 -10.151 -10.910 1.00 20.02 H new ATOM 0 HG22 ILE A 5 7.855 -9.563 -9.280 1.00 20.02 H new ATOM 0 HG23 ILE A 5 7.434 -11.225 -9.757 1.00 20.02 H new ATOM 0 HD11 ILE A 5 6.272 -11.069 -13.816 1.00 62.31 H new ATOM 0 HD12 ILE A 5 6.723 -9.416 -13.336 1.00 62.31 H new ATOM 0 HD13 ILE A 5 7.648 -10.806 -12.718 1.00 62.31 H new ATOM 63 N PHE A 6 4.091 -11.949 -9.662 1.00 2.34 N ATOM 64 CA PHE A 6 3.858 -13.343 -9.305 1.00 22.24 C ATOM 65 C PHE A 6 3.466 -13.470 -7.836 1.00 35.34 C ATOM 66 O PHE A 6 3.921 -14.375 -7.135 1.00 15.20 O ATOM 67 CB PHE A 6 5.109 -14.179 -9.584 1.00 21.11 C ATOM 68 CG PHE A 6 5.284 -14.529 -11.034 1.00 24.51 C ATOM 69 CD1 PHE A 6 4.321 -15.267 -11.703 1.00 64.42 C ATOM 70 CD2 PHE A 6 6.412 -14.121 -11.728 1.00 12.43 C ATOM 71 CE1 PHE A 6 4.481 -15.592 -13.037 1.00 52.22 C ATOM 72 CE2 PHE A 6 6.576 -14.442 -13.062 1.00 5.30 C ATOM 73 CZ PHE A 6 5.609 -15.177 -13.718 1.00 20.43 C ATOM 0 H PHE A 6 3.517 -11.609 -10.433 1.00 2.34 H new ATOM 0 HA PHE A 6 3.036 -13.716 -9.916 1.00 22.24 H new ATOM 0 HB2 PHE A 6 5.987 -13.630 -9.242 1.00 21.11 H new ATOM 0 HB3 PHE A 6 5.060 -15.098 -9.000 1.00 21.11 H new ATOM 0 HD1 PHE A 6 3.436 -15.592 -11.177 1.00 64.42 H new ATOM 0 HD2 PHE A 6 7.172 -13.545 -11.220 1.00 12.43 H new ATOM 0 HE1 PHE A 6 3.724 -16.170 -13.547 1.00 52.22 H new ATOM 0 HE2 PHE A 6 7.460 -14.118 -13.591 1.00 5.30 H new ATOM 0 HZ PHE A 6 5.734 -15.427 -14.761 1.00 20.43 H new ATOM 83 N LYS A 7 2.618 -12.557 -7.375 1.00 14.10 N ATOM 84 CA LYS A 7 2.161 -12.565 -5.990 1.00 45.11 C ATOM 85 C LYS A 7 0.661 -12.826 -5.913 1.00 54.21 C ATOM 86 O LYS A 7 -0.133 -12.129 -6.545 1.00 31.21 O ATOM 87 CB LYS A 7 2.494 -11.233 -5.314 1.00 54.44 C ATOM 88 CG LYS A 7 3.945 -11.115 -4.883 1.00 1.33 C ATOM 89 CD LYS A 7 4.238 -11.980 -3.669 1.00 32.24 C ATOM 90 CE LYS A 7 3.962 -11.234 -2.372 1.00 50.44 C ATOM 91 NZ LYS A 7 5.104 -10.362 -1.981 1.00 10.23 N ATOM 0 H LYS A 7 2.233 -11.801 -7.941 1.00 14.10 H new ATOM 0 HA LYS A 7 2.678 -13.370 -5.468 1.00 45.11 H new ATOM 0 HB2 LYS A 7 2.260 -10.419 -6.000 1.00 54.44 H new ATOM 0 HB3 LYS A 7 1.853 -11.108 -4.441 1.00 54.44 H new ATOM 0 HG2 LYS A 7 4.595 -11.410 -5.707 1.00 1.33 H new ATOM 0 HG3 LYS A 7 4.174 -10.074 -4.653 1.00 1.33 H new ATOM 0 HD2 LYS A 7 3.627 -12.882 -3.708 1.00 32.24 H new ATOM 0 HD3 LYS A 7 5.280 -12.299 -3.692 1.00 32.24 H new ATOM 0 HE2 LYS A 7 3.064 -10.627 -2.486 1.00 50.44 H new ATOM 0 HE3 LYS A 7 3.763 -11.951 -1.576 1.00 50.44 H new ATOM 0 HZ1 LYS A 7 4.878 -9.871 -1.093 1.00 10.23 H new ATOM 0 HZ2 LYS A 7 5.955 -10.944 -1.847 1.00 10.23 H new ATOM 0 HZ3 LYS A 7 5.278 -9.661 -2.729 1.00 10.23 H new ATOM 105 N ALA A 8 0.279 -13.832 -5.134 1.00 33.40 N ATOM 106 CA ALA A 8 -1.127 -14.182 -4.972 1.00 21.31 C ATOM 107 C ALA A 8 -1.958 -12.959 -4.599 1.00 63.11 C ATOM 108 O ALA A 8 -1.487 -12.068 -3.892 1.00 5.02 O ATOM 109 CB ALA A 8 -1.282 -15.269 -3.919 1.00 32.24 C ATOM 0 H ALA A 8 0.923 -14.419 -4.605 1.00 33.40 H new ATOM 0 HA ALA A 8 -1.494 -14.560 -5.926 1.00 21.31 H new ATOM 0 HB1 ALA A 8 -2.337 -15.521 -3.808 1.00 32.24 H new ATOM 0 HB2 ALA A 8 -0.728 -16.156 -4.227 1.00 32.24 H new ATOM 0 HB3 ALA A 8 -0.893 -14.911 -2.966 1.00 32.24 H new ATOM 115 N CYS A 9 -3.196 -12.922 -5.080 1.00 0.24 N ATOM 116 CA CYS A 9 -4.093 -11.807 -4.798 1.00 62.41 C ATOM 117 C CYS A 9 -5.473 -12.055 -5.399 1.00 54.02 C ATOM 118 O CYS A 9 -5.728 -13.108 -5.981 1.00 72.34 O ATOM 119 CB CYS A 9 -3.510 -10.505 -5.350 1.00 53.21 C ATOM 120 SG CYS A 9 -2.865 -10.640 -7.048 1.00 44.22 S ATOM 0 H CYS A 9 -3.601 -13.651 -5.667 1.00 0.24 H new ATOM 0 HA CYS A 9 -4.197 -11.720 -3.716 1.00 62.41 H new ATOM 0 HB2 CYS A 9 -4.281 -9.735 -5.326 1.00 53.21 H new ATOM 0 HB3 CYS A 9 -2.707 -10.172 -4.693 1.00 53.21 H new ATOM 125 N ASN A 10 -6.360 -11.076 -5.253 1.00 53.03 N ATOM 126 CA ASN A 10 -7.715 -11.187 -5.781 1.00 73.23 C ATOM 127 C ASN A 10 -7.999 -10.078 -6.790 1.00 21.12 C ATOM 128 O ASN A 10 -7.574 -8.934 -6.628 1.00 23.13 O ATOM 129 CB ASN A 10 -8.735 -11.129 -4.642 1.00 72.33 C ATOM 130 CG ASN A 10 -8.731 -9.790 -3.930 1.00 75.34 C ATOM 131 OD1 ASN A 10 -7.748 -9.052 -3.979 1.00 4.24 O ATOM 132 ND2 ASN A 10 -9.835 -9.471 -3.265 1.00 33.33 N ATOM 0 H ASN A 10 -6.165 -10.197 -4.774 1.00 53.03 H new ATOM 0 HA ASN A 10 -7.802 -12.147 -6.289 1.00 73.23 H new ATOM 0 HB2 ASN A 10 -9.731 -11.323 -5.040 1.00 72.33 H new ATOM 0 HB3 ASN A 10 -8.519 -11.920 -3.924 1.00 72.33 H new ATOM 0 HD21 ASN A 10 -9.892 -8.582 -2.767 1.00 33.33 H new ATOM 0 HD22 ASN A 10 -10.626 -10.114 -3.252 1.00 33.33 H new ATOM 139 N PRO A 11 -8.735 -10.422 -7.857 1.00 35.55 N ATOM 140 CA PRO A 11 -9.094 -9.470 -8.912 1.00 22.21 C ATOM 141 C PRO A 11 -10.097 -8.426 -8.434 1.00 45.40 C ATOM 142 O PRO A 11 -10.111 -7.296 -8.924 1.00 35.25 O ATOM 143 CB PRO A 11 -9.719 -10.357 -9.992 1.00 42.41 C ATOM 144 CG PRO A 11 -10.228 -11.548 -9.257 1.00 14.33 C ATOM 145 CD PRO A 11 -9.276 -11.768 -8.114 1.00 42.12 C ATOM 0 HA PRO A 11 -8.232 -8.899 -9.256 1.00 22.21 H new ATOM 0 HB2 PRO A 11 -10.525 -9.839 -10.512 1.00 42.41 H new ATOM 0 HB3 PRO A 11 -8.984 -10.641 -10.745 1.00 42.41 H new ATOM 0 HG2 PRO A 11 -11.241 -11.378 -8.893 1.00 14.33 H new ATOM 0 HG3 PRO A 11 -10.265 -12.422 -9.908 1.00 14.33 H new ATOM 0 HD2 PRO A 11 -9.785 -12.170 -7.238 1.00 42.12 H new ATOM 0 HD3 PRO A 11 -8.488 -12.474 -8.377 1.00 42.12 H new ATOM 153 N SER A 12 -10.933 -8.810 -7.475 1.00 41.21 N ATOM 154 CA SER A 12 -11.942 -7.907 -6.933 1.00 45.34 C ATOM 155 C SER A 12 -11.288 -6.714 -6.243 1.00 2.42 C ATOM 156 O SER A 12 -11.845 -5.617 -6.215 1.00 22.22 O ATOM 157 CB SER A 12 -12.845 -8.650 -5.947 1.00 5.52 C ATOM 158 OG SER A 12 -13.667 -7.746 -5.229 1.00 74.30 O ATOM 0 H SER A 12 -10.932 -9.740 -7.057 1.00 41.21 H new ATOM 0 HA SER A 12 -12.547 -7.538 -7.761 1.00 45.34 H new ATOM 0 HB2 SER A 12 -13.468 -9.364 -6.486 1.00 5.52 H new ATOM 0 HB3 SER A 12 -12.234 -9.223 -5.250 1.00 5.52 H new ATOM 0 HG SER A 12 -14.236 -8.245 -4.606 1.00 74.30 H new ATOM 164 N ASN A 13 -10.102 -6.937 -5.687 1.00 5.05 N ATOM 165 CA ASN A 13 -9.371 -5.881 -4.995 1.00 23.21 C ATOM 166 C ASN A 13 -7.912 -5.847 -5.441 1.00 53.25 C ATOM 167 O ASN A 13 -7.006 -5.678 -4.625 1.00 53.42 O ATOM 168 CB ASN A 13 -9.447 -6.087 -3.481 1.00 15.23 C ATOM 169 CG ASN A 13 -9.323 -4.785 -2.713 1.00 44.24 C ATOM 170 OD1 ASN A 13 -9.236 -3.709 -3.305 1.00 13.41 O ATOM 171 ND2 ASN A 13 -9.312 -4.878 -1.389 1.00 12.53 N ATOM 0 H ASN A 13 -9.626 -7.839 -5.702 1.00 5.05 H new ATOM 0 HA ASN A 13 -9.833 -4.927 -5.249 1.00 23.21 H new ATOM 0 HB2 ASN A 13 -10.394 -6.565 -3.229 1.00 15.23 H new ATOM 0 HB3 ASN A 13 -8.654 -6.766 -3.169 1.00 15.23 H new ATOM 0 HD21 ASN A 13 -9.229 -4.036 -0.819 1.00 12.53 H new ATOM 0 HD22 ASN A 13 -9.387 -5.791 -0.941 1.00 12.53 H new ATOM 178 N ASP A 14 -7.694 -6.008 -6.742 1.00 4.22 N ATOM 179 CA ASP A 14 -6.346 -5.994 -7.298 1.00 4.50 C ATOM 180 C ASP A 14 -5.573 -4.768 -6.819 1.00 72.23 C ATOM 181 O ASP A 14 -6.066 -3.643 -6.898 1.00 21.30 O ATOM 182 CB ASP A 14 -6.401 -6.012 -8.826 1.00 53.33 C ATOM 183 CG ASP A 14 -5.110 -5.530 -9.458 1.00 53.35 C ATOM 184 OD1 ASP A 14 -4.030 -5.840 -8.913 1.00 53.11 O ATOM 185 OD2 ASP A 14 -5.180 -4.843 -10.499 1.00 60.10 O ATOM 0 H ASP A 14 -8.433 -6.150 -7.431 1.00 4.22 H new ATOM 0 HA ASP A 14 -5.827 -6.887 -6.950 1.00 4.50 H new ATOM 0 HB2 ASP A 14 -6.613 -7.025 -9.167 1.00 53.33 H new ATOM 0 HB3 ASP A 14 -7.225 -5.383 -9.164 1.00 53.33 H new ATOM 190 N GLN A 15 -4.362 -4.996 -6.323 1.00 5.43 N ATOM 191 CA GLN A 15 -3.522 -3.910 -5.830 1.00 14.23 C ATOM 192 C GLN A 15 -2.061 -4.141 -6.198 1.00 24.31 C ATOM 193 O GLN A 15 -1.156 -3.800 -5.436 1.00 2.05 O ATOM 194 CB GLN A 15 -3.664 -3.777 -4.312 1.00 44.44 C ATOM 195 CG GLN A 15 -4.965 -3.122 -3.878 1.00 22.04 C ATOM 196 CD GLN A 15 -5.443 -3.615 -2.526 1.00 41.10 C ATOM 197 OE1 GLN A 15 -5.081 -4.707 -2.087 1.00 1.10 O ATOM 198 NE2 GLN A 15 -6.261 -2.810 -1.858 1.00 30.33 N ATOM 0 H GLN A 15 -3.940 -5.922 -6.252 1.00 5.43 H new ATOM 0 HA GLN A 15 -3.853 -2.985 -6.302 1.00 14.23 H new ATOM 0 HB2 GLN A 15 -3.597 -4.767 -3.861 1.00 44.44 H new ATOM 0 HB3 GLN A 15 -2.827 -3.194 -3.927 1.00 44.44 H new ATOM 0 HG2 GLN A 15 -4.828 -2.041 -3.839 1.00 22.04 H new ATOM 0 HG3 GLN A 15 -5.734 -3.319 -4.625 1.00 22.04 H new ATOM 0 HE21 GLN A 15 -6.535 -1.914 -2.260 1.00 30.33 H new ATOM 0 HE22 GLN A 15 -6.615 -3.088 -0.943 1.00 30.33 H new ATOM 207 N CYS A 16 -1.836 -4.724 -7.371 1.00 52.40 N ATOM 208 CA CYS A 16 -0.485 -5.002 -7.841 1.00 5.00 C ATOM 209 C CYS A 16 0.267 -3.707 -8.134 1.00 2.44 C ATOM 210 O CYS A 16 -0.319 -2.624 -8.143 1.00 12.13 O ATOM 211 CB CYS A 16 -0.528 -5.874 -9.097 1.00 54.03 C ATOM 212 SG CYS A 16 -1.396 -7.460 -8.872 1.00 13.31 S ATOM 0 H CYS A 16 -2.573 -5.013 -8.014 1.00 52.40 H new ATOM 0 HA CYS A 16 0.043 -5.538 -7.052 1.00 5.00 H new ATOM 0 HB2 CYS A 16 -1.015 -5.316 -9.897 1.00 54.03 H new ATOM 0 HB3 CYS A 16 0.493 -6.074 -9.423 1.00 54.03 H new ATOM 217 N CYS A 17 1.569 -3.826 -8.373 1.00 11.43 N ATOM 218 CA CYS A 17 2.402 -2.666 -8.666 1.00 3.14 C ATOM 219 C CYS A 17 2.207 -2.206 -10.108 1.00 25.43 C ATOM 220 O CYS A 17 2.945 -2.612 -11.006 1.00 22.52 O ATOM 221 CB CYS A 17 3.876 -2.995 -8.418 1.00 52.03 C ATOM 222 SG CYS A 17 4.283 -3.314 -6.672 1.00 5.44 S ATOM 0 H CYS A 17 2.070 -4.715 -8.369 1.00 11.43 H new ATOM 0 HA CYS A 17 2.101 -1.856 -8.002 1.00 3.14 H new ATOM 0 HB2 CYS A 17 4.146 -3.870 -9.009 1.00 52.03 H new ATOM 0 HB3 CYS A 17 4.487 -2.167 -8.777 1.00 52.03 H new ATOM 227 N LYS A 18 1.209 -1.356 -10.322 1.00 70.30 N ATOM 228 CA LYS A 18 0.916 -0.839 -11.653 1.00 64.15 C ATOM 229 C LYS A 18 2.174 -0.272 -12.305 1.00 74.55 C ATOM 230 O LYS A 18 2.338 -0.343 -13.523 1.00 64.23 O ATOM 231 CB LYS A 18 -0.163 0.243 -11.577 1.00 31.02 C ATOM 232 CG LYS A 18 -1.478 -0.249 -10.997 1.00 62.52 C ATOM 233 CD LYS A 18 -2.321 -0.954 -12.047 1.00 0.12 C ATOM 234 CE LYS A 18 -2.985 0.040 -12.987 1.00 61.04 C ATOM 235 NZ LYS A 18 -4.131 -0.568 -13.718 1.00 60.42 N ATOM 0 H LYS A 18 0.589 -1.010 -9.590 1.00 70.30 H new ATOM 0 HA LYS A 18 0.551 -1.665 -12.264 1.00 64.15 H new ATOM 0 HB2 LYS A 18 0.206 1.070 -10.970 1.00 31.02 H new ATOM 0 HB3 LYS A 18 -0.342 0.637 -12.577 1.00 31.02 H new ATOM 0 HG2 LYS A 18 -1.280 -0.931 -10.170 1.00 62.52 H new ATOM 0 HG3 LYS A 18 -2.035 0.594 -10.588 1.00 62.52 H new ATOM 0 HD2 LYS A 18 -1.694 -1.636 -12.621 1.00 0.12 H new ATOM 0 HD3 LYS A 18 -3.084 -1.559 -11.557 1.00 0.12 H new ATOM 0 HE2 LYS A 18 -3.334 0.901 -12.417 1.00 61.04 H new ATOM 0 HE3 LYS A 18 -2.251 0.408 -13.704 1.00 61.04 H new ATOM 0 HZ1 LYS A 18 -4.557 0.141 -14.348 1.00 60.42 H new ATOM 0 HZ2 LYS A 18 -3.795 -1.375 -14.282 1.00 60.42 H new ATOM 0 HZ3 LYS A 18 -4.843 -0.896 -13.035 1.00 60.42 H new ATOM 249 N SER A 19 3.058 0.288 -11.487 1.00 1.12 N ATOM 250 CA SER A 19 4.300 0.869 -11.985 1.00 34.24 C ATOM 251 C SER A 19 5.077 -0.145 -12.819 1.00 3.24 C ATOM 252 O SER A 19 5.721 0.210 -13.806 1.00 1.52 O ATOM 253 CB SER A 19 5.162 1.357 -10.819 1.00 65.43 C ATOM 254 OG SER A 19 6.413 1.839 -11.278 1.00 44.10 O ATOM 0 H SER A 19 2.938 0.352 -10.476 1.00 1.12 H new ATOM 0 HA SER A 19 4.047 1.718 -12.620 1.00 34.24 H new ATOM 0 HB2 SER A 19 4.639 2.148 -10.282 1.00 65.43 H new ATOM 0 HB3 SER A 19 5.319 0.542 -10.113 1.00 65.43 H new ATOM 0 HG SER A 19 6.945 2.147 -10.515 1.00 44.10 H new ATOM 260 N SER A 20 5.012 -1.409 -12.414 1.00 23.24 N ATOM 261 CA SER A 20 5.713 -2.475 -13.120 1.00 70.12 C ATOM 262 C SER A 20 4.771 -3.207 -14.071 1.00 32.52 C ATOM 263 O SER A 20 5.015 -4.355 -14.445 1.00 12.15 O ATOM 264 CB SER A 20 6.320 -3.464 -12.123 1.00 14.01 C ATOM 265 OG SER A 20 7.662 -3.125 -11.821 1.00 62.34 O ATOM 0 H SER A 20 4.481 -1.720 -11.601 1.00 23.24 H new ATOM 0 HA SER A 20 6.514 -2.024 -13.705 1.00 70.12 H new ATOM 0 HB2 SER A 20 5.729 -3.471 -11.207 1.00 14.01 H new ATOM 0 HB3 SER A 20 6.280 -4.472 -12.536 1.00 14.01 H new ATOM 0 HG SER A 20 8.026 -3.771 -11.181 1.00 62.34 H new ATOM 271 N LYS A 21 3.692 -2.536 -14.459 1.00 1.44 N ATOM 272 CA LYS A 21 2.712 -3.119 -15.366 1.00 72.45 C ATOM 273 C LYS A 21 2.283 -4.502 -14.887 1.00 75.54 C ATOM 274 O LYS A 21 2.461 -5.498 -15.591 1.00 42.52 O ATOM 275 CB LYS A 21 3.289 -3.214 -16.781 1.00 30.24 C ATOM 276 CG LYS A 21 2.242 -3.090 -17.874 1.00 43.13 C ATOM 277 CD LYS A 21 1.506 -4.401 -18.093 1.00 63.13 C ATOM 278 CE LYS A 21 0.269 -4.499 -17.215 1.00 32.15 C ATOM 279 NZ LYS A 21 -0.976 -4.630 -18.022 1.00 2.23 N ATOM 0 H LYS A 21 3.474 -1.586 -14.158 1.00 1.44 H new ATOM 0 HA LYS A 21 1.836 -2.470 -15.380 1.00 72.45 H new ATOM 0 HB2 LYS A 21 4.035 -2.430 -16.914 1.00 30.24 H new ATOM 0 HB3 LYS A 21 3.805 -4.168 -16.891 1.00 30.24 H new ATOM 0 HG2 LYS A 21 1.528 -2.311 -17.608 1.00 43.13 H new ATOM 0 HG3 LYS A 21 2.720 -2.780 -18.803 1.00 43.13 H new ATOM 0 HD2 LYS A 21 1.218 -4.487 -19.141 1.00 63.13 H new ATOM 0 HD3 LYS A 21 2.174 -5.235 -17.877 1.00 63.13 H new ATOM 0 HE2 LYS A 21 0.363 -5.358 -16.550 1.00 32.15 H new ATOM 0 HE3 LYS A 21 0.201 -3.613 -16.584 1.00 32.15 H new ATOM 0 HZ1 LYS A 21 -1.700 -3.982 -17.651 1.00 2.23 H new ATOM 0 HZ2 LYS A 21 -0.773 -4.392 -19.014 1.00 2.23 H new ATOM 0 HZ3 LYS A 21 -1.325 -5.608 -17.965 1.00 2.23 H new ATOM 293 N LEU A 22 1.715 -4.558 -13.688 1.00 32.12 N ATOM 294 CA LEU A 22 1.258 -5.820 -13.115 1.00 42.22 C ATOM 295 C LEU A 22 -0.220 -5.747 -12.745 1.00 41.45 C ATOM 296 O LEU A 22 -0.690 -4.737 -12.221 1.00 32.24 O ATOM 297 CB LEU A 22 2.088 -6.172 -11.879 1.00 50.42 C ATOM 298 CG LEU A 22 3.598 -6.283 -12.094 1.00 12.52 C ATOM 299 CD1 LEU A 22 4.349 -5.776 -10.872 1.00 62.14 C ATOM 300 CD2 LEU A 22 3.988 -7.720 -12.404 1.00 62.22 C ATOM 0 H LEU A 22 1.560 -3.744 -13.093 1.00 32.12 H new ATOM 0 HA LEU A 22 1.387 -6.599 -13.866 1.00 42.22 H new ATOM 0 HB2 LEU A 22 1.904 -5.416 -11.115 1.00 50.42 H new ATOM 0 HB3 LEU A 22 1.727 -7.121 -11.482 1.00 50.42 H new ATOM 0 HG LEU A 22 3.872 -5.662 -12.947 1.00 12.52 H new ATOM 0 HD11 LEU A 22 5.422 -5.862 -11.043 1.00 62.14 H new ATOM 0 HD12 LEU A 22 4.093 -4.731 -10.695 1.00 62.14 H new ATOM 0 HD13 LEU A 22 4.071 -6.370 -10.002 1.00 62.14 H new ATOM 0 HD21 LEU A 22 5.066 -7.780 -12.554 1.00 62.22 H new ATOM 0 HD22 LEU A 22 3.701 -8.363 -11.572 1.00 62.22 H new ATOM 0 HD23 LEU A 22 3.477 -8.049 -13.309 1.00 62.22 H new ATOM 312 N VAL A 23 -0.948 -6.824 -13.021 1.00 64.31 N ATOM 313 CA VAL A 23 -2.372 -6.884 -12.715 1.00 2.05 C ATOM 314 C VAL A 23 -2.781 -8.286 -12.276 1.00 54.43 C ATOM 315 O VAL A 23 -2.370 -9.280 -12.874 1.00 62.24 O ATOM 316 CB VAL A 23 -3.225 -6.467 -13.927 1.00 61.44 C ATOM 317 CG1 VAL A 23 -4.706 -6.525 -13.584 1.00 4.20 C ATOM 318 CG2 VAL A 23 -2.833 -5.076 -14.401 1.00 63.25 C ATOM 0 H VAL A 23 -0.575 -7.667 -13.456 1.00 64.31 H new ATOM 0 HA VAL A 23 -2.550 -6.185 -11.898 1.00 2.05 H new ATOM 0 HB VAL A 23 -3.038 -7.169 -14.740 1.00 61.44 H new ATOM 0 HG11 VAL A 23 -5.293 -6.227 -14.453 1.00 4.20 H new ATOM 0 HG12 VAL A 23 -4.973 -7.542 -13.297 1.00 4.20 H new ATOM 0 HG13 VAL A 23 -4.914 -5.848 -12.756 1.00 4.20 H new ATOM 0 HG21 VAL A 23 -3.446 -4.798 -15.258 1.00 63.25 H new ATOM 0 HG22 VAL A 23 -2.990 -4.359 -13.595 1.00 63.25 H new ATOM 0 HG23 VAL A 23 -1.782 -5.073 -14.690 1.00 63.25 H new ATOM 328 N CYS A 24 -3.595 -8.358 -11.228 1.00 52.34 N ATOM 329 CA CYS A 24 -4.062 -9.637 -10.709 1.00 22.25 C ATOM 330 C CYS A 24 -5.133 -10.235 -11.616 1.00 60.12 C ATOM 331 O CYS A 24 -6.246 -9.716 -11.706 1.00 65.10 O ATOM 332 CB CYS A 24 -4.616 -9.465 -9.293 1.00 5.13 C ATOM 333 SG CYS A 24 -4.444 -10.943 -8.242 1.00 63.21 S ATOM 0 H CYS A 24 -3.945 -7.545 -10.722 1.00 52.34 H new ATOM 0 HA CYS A 24 -3.213 -10.320 -10.680 1.00 22.25 H new ATOM 0 HB2 CYS A 24 -4.105 -8.630 -8.814 1.00 5.13 H new ATOM 0 HB3 CYS A 24 -5.671 -9.199 -9.357 1.00 5.13 H new ATOM 338 N SER A 25 -4.789 -11.330 -12.287 1.00 2.21 N ATOM 339 CA SER A 25 -5.719 -11.997 -13.190 1.00 41.24 C ATOM 340 C SER A 25 -6.798 -12.739 -12.408 1.00 55.41 C ATOM 341 O SER A 25 -6.566 -13.195 -11.288 1.00 54.53 O ATOM 342 CB SER A 25 -4.969 -12.973 -14.098 1.00 71.54 C ATOM 343 OG SER A 25 -5.624 -13.115 -15.347 1.00 15.31 O ATOM 0 H SER A 25 -3.873 -11.774 -12.222 1.00 2.21 H new ATOM 0 HA SER A 25 -6.199 -11.236 -13.805 1.00 41.24 H new ATOM 0 HB2 SER A 25 -3.951 -12.618 -14.256 1.00 71.54 H new ATOM 0 HB3 SER A 25 -4.895 -13.945 -13.610 1.00 71.54 H new ATOM 0 HG SER A 25 -5.124 -13.743 -15.909 1.00 15.31 H new ATOM 349 N ARG A 26 -7.979 -12.855 -13.007 1.00 34.25 N ATOM 350 CA ARG A 26 -9.096 -13.540 -12.366 1.00 61.25 C ATOM 351 C ARG A 26 -8.922 -15.054 -12.445 1.00 20.13 C ATOM 352 O ARG A 26 -9.428 -15.793 -11.599 1.00 45.23 O ATOM 353 CB ARG A 26 -10.416 -13.133 -13.024 1.00 20.22 C ATOM 354 CG ARG A 26 -10.724 -11.649 -12.905 1.00 24.43 C ATOM 355 CD ARG A 26 -11.706 -11.197 -13.973 1.00 52.34 C ATOM 356 NE ARG A 26 -13.085 -11.528 -13.625 1.00 31.22 N ATOM 357 CZ ARG A 26 -14.107 -11.398 -14.464 1.00 22.14 C ATOM 358 NH1 ARG A 26 -13.905 -10.946 -15.694 1.00 35.32 N ATOM 359 NH2 ARG A 26 -15.333 -11.721 -14.073 1.00 11.43 N ATOM 0 H ARG A 26 -8.187 -12.484 -13.934 1.00 34.25 H new ATOM 0 HA ARG A 26 -9.115 -13.248 -11.316 1.00 61.25 H new ATOM 0 HB2 ARG A 26 -10.386 -13.406 -14.079 1.00 20.22 H new ATOM 0 HB3 ARG A 26 -11.228 -13.701 -12.571 1.00 20.22 H new ATOM 0 HG2 ARG A 26 -11.136 -11.440 -11.918 1.00 24.43 H new ATOM 0 HG3 ARG A 26 -9.801 -11.076 -12.992 1.00 24.43 H new ATOM 0 HD2 ARG A 26 -11.617 -10.120 -14.115 1.00 52.34 H new ATOM 0 HD3 ARG A 26 -11.449 -11.666 -14.923 1.00 52.34 H new ATOM 0 HE ARG A 26 -13.274 -11.878 -12.686 1.00 31.22 H new ATOM 0 HH11 ARG A 26 -12.964 -10.697 -15.998 1.00 35.32 H new ATOM 0 HH12 ARG A 26 -14.691 -10.847 -16.336 1.00 35.32 H new ATOM 0 HH21 ARG A 26 -15.492 -12.069 -13.128 1.00 11.43 H new ATOM 0 HH22 ARG A 26 -16.117 -11.621 -14.718 1.00 11.43 H new ATOM 373 N LYS A 27 -8.204 -15.510 -13.465 1.00 42.15 N ATOM 374 CA LYS A 27 -7.962 -16.935 -13.655 1.00 64.22 C ATOM 375 C LYS A 27 -6.685 -17.370 -12.943 1.00 2.42 C ATOM 376 O LYS A 27 -6.627 -18.449 -12.352 1.00 11.53 O ATOM 377 CB LYS A 27 -7.863 -17.262 -15.147 1.00 24.51 C ATOM 378 CG LYS A 27 -7.906 -18.751 -15.447 1.00 52.33 C ATOM 379 CD LYS A 27 -7.991 -19.016 -16.941 1.00 43.10 C ATOM 380 CE LYS A 27 -9.418 -18.887 -17.450 1.00 52.41 C ATOM 381 NZ LYS A 27 -9.652 -19.717 -18.664 1.00 25.11 N ATOM 0 H LYS A 27 -7.779 -14.912 -14.174 1.00 42.15 H new ATOM 0 HA LYS A 27 -8.801 -17.481 -13.224 1.00 64.22 H new ATOM 0 HB2 LYS A 27 -8.681 -16.770 -15.673 1.00 24.51 H new ATOM 0 HB3 LYS A 27 -6.935 -16.847 -15.541 1.00 24.51 H new ATOM 0 HG2 LYS A 27 -7.015 -19.231 -15.041 1.00 52.33 H new ATOM 0 HG3 LYS A 27 -8.765 -19.199 -14.947 1.00 52.33 H new ATOM 0 HD2 LYS A 27 -7.349 -18.314 -17.473 1.00 43.10 H new ATOM 0 HD3 LYS A 27 -7.616 -20.017 -17.156 1.00 43.10 H new ATOM 0 HE2 LYS A 27 -10.112 -19.188 -16.665 1.00 52.41 H new ATOM 0 HE3 LYS A 27 -9.629 -17.842 -17.678 1.00 52.41 H new ATOM 0 HZ1 LYS A 27 -10.636 -19.601 -18.979 1.00 25.11 H new ATOM 0 HZ2 LYS A 27 -9.008 -19.413 -19.422 1.00 25.11 H new ATOM 0 HZ3 LYS A 27 -9.476 -20.717 -18.440 1.00 25.11 H new ATOM 395 N THR A 28 -5.662 -16.522 -13.001 1.00 70.22 N ATOM 396 CA THR A 28 -4.386 -16.818 -12.362 1.00 35.54 C ATOM 397 C THR A 28 -4.404 -16.421 -10.890 1.00 20.30 C ATOM 398 O THR A 28 -3.741 -17.045 -10.061 1.00 41.01 O ATOM 399 CB THR A 28 -3.224 -16.092 -13.064 1.00 22.12 C ATOM 400 OG1 THR A 28 -3.082 -14.769 -12.536 1.00 14.34 O ATOM 401 CG2 THR A 28 -3.458 -16.022 -14.565 1.00 44.14 C ATOM 0 H THR A 28 -5.693 -15.624 -13.484 1.00 70.22 H new ATOM 0 HA THR A 28 -4.233 -17.894 -12.444 1.00 35.54 H new ATOM 0 HB THR A 28 -2.309 -16.656 -12.881 1.00 22.12 H new ATOM 0 HG1 THR A 28 -2.271 -14.721 -11.988 1.00 14.34 H new ATOM 0 HG21 THR A 28 -2.624 -15.505 -15.040 1.00 44.14 H new ATOM 0 HG22 THR A 28 -3.536 -17.032 -14.969 1.00 44.14 H new ATOM 0 HG23 THR A 28 -4.382 -15.479 -14.764 1.00 44.14 H new ATOM 409 N ARG A 29 -5.167 -15.381 -10.572 1.00 1.42 N ATOM 410 CA ARG A 29 -5.270 -14.900 -9.199 1.00 60.21 C ATOM 411 C ARG A 29 -3.911 -14.440 -8.681 1.00 3.52 C ATOM 412 O ARG A 29 -3.616 -14.558 -7.491 1.00 74.45 O ATOM 413 CB ARG A 29 -5.828 -15.999 -8.292 1.00 41.24 C ATOM 414 CG ARG A 29 -7.334 -16.171 -8.401 1.00 31.44 C ATOM 415 CD ARG A 29 -7.902 -16.887 -7.185 1.00 3.12 C ATOM 416 NE ARG A 29 -8.246 -15.956 -6.113 1.00 72.24 N ATOM 417 CZ ARG A 29 -9.087 -16.249 -5.128 1.00 20.15 C ATOM 418 NH1 ARG A 29 -9.665 -17.441 -5.077 1.00 75.14 N ATOM 419 NH2 ARG A 29 -9.350 -15.349 -4.189 1.00 11.02 N ATOM 0 H ARG A 29 -5.723 -14.855 -11.246 1.00 1.42 H new ATOM 0 HA ARG A 29 -5.951 -14.049 -9.189 1.00 60.21 H new ATOM 0 HB2 ARG A 29 -5.344 -16.944 -8.540 1.00 41.24 H new ATOM 0 HB3 ARG A 29 -5.571 -15.771 -7.258 1.00 41.24 H new ATOM 0 HG2 ARG A 29 -7.807 -15.194 -8.503 1.00 31.44 H new ATOM 0 HG3 ARG A 29 -7.573 -16.736 -9.302 1.00 31.44 H new ATOM 0 HD2 ARG A 29 -8.790 -17.448 -7.477 1.00 3.12 H new ATOM 0 HD3 ARG A 29 -7.174 -17.610 -6.817 1.00 3.12 H new ATOM 0 HE ARG A 29 -7.817 -15.031 -6.122 1.00 72.24 H new ATOM 0 HH11 ARG A 29 -9.464 -18.136 -5.796 1.00 75.14 H new ATOM 0 HH12 ARG A 29 -10.310 -17.663 -4.319 1.00 75.14 H new ATOM 0 HH21 ARG A 29 -8.906 -14.431 -4.224 1.00 11.02 H new ATOM 0 HH22 ARG A 29 -9.996 -15.575 -3.433 1.00 11.02 H new ATOM 433 N TRP A 30 -3.087 -13.915 -9.581 1.00 14.41 N ATOM 434 CA TRP A 30 -1.759 -13.437 -9.214 1.00 50.35 C ATOM 435 C TRP A 30 -1.285 -12.355 -10.178 1.00 43.24 C ATOM 436 O TRP A 30 -1.660 -12.346 -11.351 1.00 72.21 O ATOM 437 CB TRP A 30 -0.763 -14.597 -9.201 1.00 22.24 C ATOM 438 CG TRP A 30 -0.301 -15.000 -10.568 1.00 44.33 C ATOM 439 CD1 TRP A 30 0.366 -14.220 -11.470 1.00 70.54 C ATOM 440 CD2 TRP A 30 -0.472 -16.278 -11.189 1.00 74.23 C ATOM 441 NE1 TRP A 30 0.619 -14.938 -12.615 1.00 12.32 N ATOM 442 CE2 TRP A 30 0.115 -16.203 -12.467 1.00 64.12 C ATOM 443 CE3 TRP A 30 -1.064 -17.480 -10.790 1.00 4.34 C ATOM 444 CZ2 TRP A 30 0.127 -17.283 -13.346 1.00 34.23 C ATOM 445 CZ3 TRP A 30 -1.052 -18.551 -11.663 1.00 1.33 C ATOM 446 CH2 TRP A 30 -0.459 -18.447 -12.928 1.00 75.24 C ATOM 0 H TRP A 30 -3.315 -13.810 -10.570 1.00 14.41 H new ATOM 0 HA TRP A 30 -1.818 -13.007 -8.214 1.00 50.35 H new ATOM 0 HB2 TRP A 30 0.103 -14.316 -8.601 1.00 22.24 H new ATOM 0 HB3 TRP A 30 -1.224 -15.456 -8.713 1.00 22.24 H new ATOM 0 HD1 TRP A 30 0.652 -13.191 -11.308 1.00 70.54 H new ATOM 0 HE1 TRP A 30 1.103 -14.586 -13.441 1.00 12.32 H new ATOM 0 HE3 TRP A 30 -1.523 -17.570 -9.816 1.00 4.34 H new ATOM 0 HZ2 TRP A 30 0.582 -17.205 -14.322 1.00 34.23 H new ATOM 0 HZ3 TRP A 30 -1.507 -19.484 -11.365 1.00 1.33 H new ATOM 0 HH2 TRP A 30 -0.464 -19.303 -13.587 1.00 75.24 H new ATOM 457 N CYS A 31 -0.457 -11.444 -9.678 1.00 13.53 N ATOM 458 CA CYS A 31 0.069 -10.356 -10.494 1.00 74.44 C ATOM 459 C CYS A 31 0.943 -10.897 -11.622 1.00 24.22 C ATOM 460 O CYS A 31 2.022 -11.440 -11.380 1.00 74.34 O ATOM 461 CB CYS A 31 0.875 -9.385 -9.630 1.00 15.11 C ATOM 462 SG CYS A 31 -0.029 -8.756 -8.178 1.00 61.33 S ATOM 0 H CYS A 31 -0.135 -11.438 -8.710 1.00 13.53 H new ATOM 0 HA CYS A 31 -0.775 -9.824 -10.934 1.00 74.44 H new ATOM 0 HB2 CYS A 31 1.783 -9.884 -9.291 1.00 15.11 H new ATOM 0 HB3 CYS A 31 1.186 -8.540 -10.245 1.00 15.11 H new ATOM 467 N LYS A 32 0.471 -10.744 -12.854 1.00 64.44 N ATOM 468 CA LYS A 32 1.209 -11.215 -14.021 1.00 5.04 C ATOM 469 C LYS A 32 1.845 -10.048 -14.769 1.00 64.03 C ATOM 470 O LYS A 32 1.327 -8.931 -14.752 1.00 25.41 O ATOM 471 CB LYS A 32 0.282 -11.991 -14.958 1.00 34.21 C ATOM 472 CG LYS A 32 -0.647 -11.103 -15.767 1.00 51.23 C ATOM 473 CD LYS A 32 -1.881 -11.860 -16.230 1.00 24.14 C ATOM 474 CE LYS A 32 -2.375 -11.352 -17.575 1.00 41.13 C ATOM 475 NZ LYS A 32 -3.109 -12.405 -18.330 1.00 43.04 N ATOM 0 H LYS A 32 -0.420 -10.297 -13.071 1.00 64.44 H new ATOM 0 HA LYS A 32 2.002 -11.878 -13.675 1.00 5.04 H new ATOM 0 HB2 LYS A 32 0.886 -12.588 -15.641 1.00 34.21 H new ATOM 0 HB3 LYS A 32 -0.316 -12.687 -14.370 1.00 34.21 H new ATOM 0 HG2 LYS A 32 -0.949 -10.247 -15.164 1.00 51.23 H new ATOM 0 HG3 LYS A 32 -0.114 -10.711 -16.633 1.00 51.23 H new ATOM 0 HD2 LYS A 32 -1.651 -12.923 -16.304 1.00 24.14 H new ATOM 0 HD3 LYS A 32 -2.672 -11.756 -15.488 1.00 24.14 H new ATOM 0 HE2 LYS A 32 -3.028 -10.493 -17.421 1.00 41.13 H new ATOM 0 HE3 LYS A 32 -1.527 -11.006 -18.166 1.00 41.13 H new ATOM 0 HZ1 LYS A 32 -3.429 -12.019 -19.241 1.00 43.04 H new ATOM 0 HZ2 LYS A 32 -2.478 -13.214 -18.499 1.00 43.04 H new ATOM 0 HZ3 LYS A 32 -3.933 -12.718 -17.778 1.00 43.04 H new ATOM 489 N TRP A 33 2.968 -10.315 -15.426 1.00 43.53 N ATOM 490 CA TRP A 33 3.674 -9.286 -16.183 1.00 14.14 C ATOM 491 C TRP A 33 3.157 -9.213 -17.615 1.00 71.12 C ATOM 492 O TRP A 33 3.383 -10.123 -18.412 1.00 34.41 O ATOM 493 CB TRP A 33 5.177 -9.565 -16.183 1.00 64.32 C ATOM 494 CG TRP A 33 6.012 -8.324 -16.274 1.00 41.24 C ATOM 495 CD1 TRP A 33 5.616 -7.102 -16.738 1.00 14.23 C ATOM 496 CD2 TRP A 33 7.385 -8.185 -15.894 1.00 45.25 C ATOM 497 NE1 TRP A 33 6.660 -6.211 -16.669 1.00 31.44 N ATOM 498 CE2 TRP A 33 7.757 -6.851 -16.154 1.00 15.10 C ATOM 499 CE3 TRP A 33 8.337 -9.056 -15.358 1.00 62.44 C ATOM 500 CZ2 TRP A 33 9.038 -6.371 -15.896 1.00 60.53 C ATOM 501 CZ3 TRP A 33 9.609 -8.579 -15.104 1.00 33.14 C ATOM 502 CH2 TRP A 33 9.950 -7.247 -15.372 1.00 12.33 C ATOM 0 H TRP A 33 3.409 -11.234 -15.450 1.00 43.53 H new ATOM 0 HA TRP A 33 3.491 -8.325 -15.702 1.00 14.14 H new ATOM 0 HB2 TRP A 33 5.439 -10.104 -15.273 1.00 64.32 H new ATOM 0 HB3 TRP A 33 5.418 -10.219 -17.021 1.00 64.32 H new ATOM 0 HD1 TRP A 33 4.627 -6.870 -17.105 1.00 14.23 H new ATOM 0 HE1 TRP A 33 6.624 -5.232 -16.955 1.00 31.44 H new ATOM 0 HE3 TRP A 33 8.083 -10.084 -15.146 1.00 62.44 H new ATOM 0 HZ2 TRP A 33 9.303 -5.344 -16.102 1.00 60.53 H new ATOM 0 HZ3 TRP A 33 10.353 -9.245 -14.692 1.00 33.14 H new ATOM 0 HH2 TRP A 33 10.952 -6.904 -15.161 1.00 12.33 H new ATOM 513 N GLN A 34 2.463 -8.125 -17.935 1.00 65.41 N ATOM 514 CA GLN A 34 1.915 -7.936 -19.273 1.00 11.23 C ATOM 515 C GLN A 34 2.842 -7.076 -20.125 1.00 4.43 C ATOM 516 O GLN A 34 3.500 -6.166 -19.618 1.00 54.44 O ATOM 517 CB GLN A 34 0.531 -7.289 -19.192 1.00 50.04 C ATOM 518 CG GLN A 34 -0.607 -8.246 -19.509 1.00 50.33 C ATOM 519 CD GLN A 34 -0.805 -8.444 -20.999 1.00 64.32 C ATOM 520 OE1 GLN A 34 -0.549 -9.524 -21.533 1.00 24.24 O ATOM 521 NE2 GLN A 34 -1.263 -7.400 -21.680 1.00 63.53 N ATOM 0 H GLN A 34 2.267 -7.362 -17.287 1.00 65.41 H new ATOM 0 HA GLN A 34 1.825 -8.915 -19.743 1.00 11.23 H new ATOM 0 HB2 GLN A 34 0.386 -6.884 -18.190 1.00 50.04 H new ATOM 0 HB3 GLN A 34 0.491 -6.448 -19.884 1.00 50.04 H new ATOM 0 HG2 GLN A 34 -0.407 -9.210 -19.042 1.00 50.33 H new ATOM 0 HG3 GLN A 34 -1.530 -7.865 -19.071 1.00 50.33 H new ATOM 0 HE21 GLN A 34 -1.462 -6.524 -21.197 1.00 63.53 H new ATOM 0 HE22 GLN A 34 -1.416 -7.474 -22.686 1.00 63.53 H new ATOM 530 N ILE A 35 2.891 -7.370 -21.419 1.00 71.14 N ATOM 531 CA ILE A 35 3.738 -6.623 -22.341 1.00 54.10 C ATOM 532 C ILE A 35 3.024 -5.377 -22.856 1.00 63.40 C ATOM 533 O ILE A 35 3.605 -4.293 -22.908 1.00 31.04 O ATOM 534 CB ILE A 35 4.165 -7.489 -23.541 1.00 1.13 C ATOM 535 CG1 ILE A 35 5.211 -6.754 -24.381 1.00 42.22 C ATOM 536 CG2 ILE A 35 2.956 -7.852 -24.389 1.00 72.24 C ATOM 537 CD1 ILE A 35 6.634 -7.014 -23.938 1.00 11.41 C ATOM 0 H ILE A 35 2.354 -8.121 -21.854 1.00 71.14 H new ATOM 0 HA ILE A 35 4.626 -6.326 -21.784 1.00 54.10 H new ATOM 0 HB ILE A 35 4.610 -8.410 -23.166 1.00 1.13 H new ATOM 0 HG12 ILE A 35 5.103 -7.053 -25.424 1.00 42.22 H new ATOM 0 HG13 ILE A 35 5.015 -5.683 -24.335 1.00 42.22 H new ATOM 0 HG21 ILE A 35 3.274 -8.464 -25.233 1.00 72.24 H new ATOM 0 HG22 ILE A 35 2.242 -8.411 -23.784 1.00 72.24 H new ATOM 0 HG23 ILE A 35 2.484 -6.942 -24.758 1.00 72.24 H new ATOM 0 HD11 ILE A 35 7.321 -6.461 -24.578 1.00 11.41 H new ATOM 0 HD12 ILE A 35 6.759 -6.689 -22.905 1.00 11.41 H new ATOM 0 HD13 ILE A 35 6.849 -8.080 -24.011 1.00 11.41 H new TER 549 ILE A 35