USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 417 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 49 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 51 THR OG1 : rot 61:sc= 0.329 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0.855 (180deg=0.738) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 148:sc= -0.263 (180deg=-1.59!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -140:sc= -1.1 (180deg=-1.13) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0124 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -117:sc= -0.0567 (180deg=-1.18) USER MOD Single : A 32 GLN : amide:sc=-0.00276 X(o=-0.0028,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0428 K(o=-0.043,f=-0.72) USER MOD Single : A 37 ASN : amide:sc= -0.0761 X(o=-0.076,f=0) USER MOD Single : A 44 THR OG1 : rot 14:sc= 0.84 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 171:sc= -0.0517 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.742 -0.330 -19.007 1.00 3.32 N ATOM 2 CA MET A 1 -11.964 -1.107 -18.834 1.00 74.22 C ATOM 3 C MET A 1 -11.666 -2.603 -18.865 1.00 73.40 C ATOM 4 O MET A 1 -10.709 -3.043 -19.502 1.00 50.13 O ATOM 5 CB MET A 1 -12.976 -0.754 -19.925 1.00 32.55 C ATOM 6 CG MET A 1 -13.843 0.448 -19.584 1.00 15.35 C ATOM 7 SD MET A 1 -15.110 0.066 -18.360 1.00 21.01 S ATOM 8 CE MET A 1 -16.123 1.541 -18.449 1.00 55.34 C ATOM 0 H1 MET A 1 -10.926 0.665 -18.766 1.00 3.32 H new ATOM 0 H2 MET A 1 -10.000 -0.706 -18.383 1.00 3.32 H new ATOM 0 H3 MET A 1 -10.427 -0.394 -19.996 1.00 3.32 H new ATOM 0 HA MET A 1 -12.388 -0.859 -17.861 1.00 74.22 H new ATOM 0 HB2 MET A 1 -12.442 -0.554 -20.854 1.00 32.55 H new ATOM 0 HB3 MET A 1 -13.619 -1.616 -20.106 1.00 32.55 H new ATOM 0 HG2 MET A 1 -13.211 1.252 -19.208 1.00 15.35 H new ATOM 0 HG3 MET A 1 -14.320 0.816 -20.492 1.00 15.35 H new ATOM 0 HE1 MET A 1 -16.952 1.456 -17.747 1.00 55.34 H new ATOM 0 HE2 MET A 1 -15.520 2.412 -18.194 1.00 55.34 H new ATOM 0 HE3 MET A 1 -16.514 1.653 -19.460 1.00 55.34 H new ATOM 18 N THR A 2 -12.492 -3.380 -18.172 1.00 10.15 N ATOM 19 CA THR A 2 -12.317 -4.826 -18.119 1.00 20.41 C ATOM 20 C THR A 2 -13.336 -5.536 -19.003 1.00 2.24 C ATOM 21 O THR A 2 -14.542 -5.446 -18.773 1.00 31.53 O ATOM 22 CB THR A 2 -12.446 -5.355 -16.679 1.00 61.45 C ATOM 23 OG1 THR A 2 -11.534 -4.663 -15.819 1.00 34.53 O ATOM 24 CG2 THR A 2 -12.167 -6.850 -16.624 1.00 12.34 C ATOM 0 H THR A 2 -13.289 -3.032 -17.639 1.00 10.15 H new ATOM 0 HA THR A 2 -11.313 -5.036 -18.486 1.00 20.41 H new ATOM 0 HB THR A 2 -13.467 -5.179 -16.342 1.00 61.45 H new ATOM 0 HG1 THR A 2 -11.624 -5.004 -14.905 1.00 34.53 H new ATOM 0 HG21 THR A 2 -12.264 -7.201 -15.597 1.00 12.34 H new ATOM 0 HG22 THR A 2 -12.881 -7.377 -17.256 1.00 12.34 H new ATOM 0 HG23 THR A 2 -11.155 -7.045 -16.980 1.00 12.34 H new ATOM 32 N PHE A 3 -12.844 -6.244 -20.014 1.00 71.13 N ATOM 33 CA PHE A 3 -13.713 -6.970 -20.933 1.00 5.34 C ATOM 34 C PHE A 3 -13.202 -8.391 -21.157 1.00 31.35 C ATOM 35 O PHE A 3 -12.076 -8.724 -20.786 1.00 14.10 O ATOM 36 CB PHE A 3 -13.807 -6.233 -22.271 1.00 13.42 C ATOM 37 CG PHE A 3 -14.731 -5.050 -22.240 1.00 61.41 C ATOM 38 CD1 PHE A 3 -14.295 -3.802 -22.654 1.00 3.30 C ATOM 39 CD2 PHE A 3 -16.037 -5.186 -21.796 1.00 14.50 C ATOM 40 CE1 PHE A 3 -15.144 -2.711 -22.627 1.00 51.03 C ATOM 41 CE2 PHE A 3 -16.890 -4.099 -21.767 1.00 61.42 C ATOM 42 CZ PHE A 3 -16.443 -2.860 -22.182 1.00 53.44 C ATOM 0 H PHE A 3 -11.848 -6.331 -20.218 1.00 71.13 H new ATOM 0 HA PHE A 3 -14.706 -7.025 -20.487 1.00 5.34 H new ATOM 0 HB2 PHE A 3 -12.812 -5.899 -22.563 1.00 13.42 H new ATOM 0 HB3 PHE A 3 -14.147 -6.930 -23.037 1.00 13.42 H new ATOM 0 HD1 PHE A 3 -13.280 -3.680 -23.002 1.00 3.30 H new ATOM 0 HD2 PHE A 3 -16.392 -6.152 -21.469 1.00 14.50 H new ATOM 0 HE1 PHE A 3 -14.792 -1.744 -22.953 1.00 51.03 H new ATOM 0 HE2 PHE A 3 -17.906 -4.218 -21.420 1.00 61.42 H new ATOM 0 HZ PHE A 3 -17.108 -2.009 -22.159 1.00 53.44 H new ATOM 52 N LYS A 4 -14.038 -9.225 -21.766 1.00 33.24 N ATOM 53 CA LYS A 4 -13.673 -10.609 -22.041 1.00 21.53 C ATOM 54 C LYS A 4 -14.053 -10.999 -23.466 1.00 64.34 C ATOM 55 O LYS A 4 -14.906 -10.365 -24.087 1.00 12.13 O ATOM 56 CB LYS A 4 -14.359 -11.547 -21.045 1.00 53.22 C ATOM 57 CG LYS A 4 -13.824 -12.968 -21.079 1.00 22.24 C ATOM 58 CD LYS A 4 -14.264 -13.759 -19.859 1.00 3.42 C ATOM 59 CE LYS A 4 -13.389 -13.455 -18.652 1.00 15.10 C ATOM 60 NZ LYS A 4 -13.921 -14.080 -17.410 1.00 54.24 N1+ ATOM 0 H LYS A 4 -14.974 -8.966 -22.079 1.00 33.24 H new ATOM 0 HA LYS A 4 -12.592 -10.701 -21.933 1.00 21.53 H new ATOM 0 HB2 LYS A 4 -14.238 -11.146 -20.039 1.00 53.22 H new ATOM 0 HB3 LYS A 4 -15.429 -11.565 -21.254 1.00 53.22 H new ATOM 0 HG2 LYS A 4 -14.173 -13.468 -21.983 1.00 22.24 H new ATOM 0 HG3 LYS A 4 -12.735 -12.947 -21.127 1.00 22.24 H new ATOM 0 HD2 LYS A 4 -15.302 -13.523 -19.626 1.00 3.42 H new ATOM 0 HD3 LYS A 4 -14.222 -14.825 -20.081 1.00 3.42 H new ATOM 0 HE2 LYS A 4 -12.378 -13.817 -18.836 1.00 15.10 H new ATOM 0 HE3 LYS A 4 -13.321 -12.376 -18.515 1.00 15.10 H new ATOM 0 HZ1 LYS A 4 -13.297 -13.850 -16.611 1.00 54.24 H new ATOM 0 HZ2 LYS A 4 -14.876 -13.716 -17.220 1.00 54.24 H new ATOM 0 HZ3 LYS A 4 -13.962 -15.112 -17.531 1.00 54.24 H new ATOM 74 N ALA A 5 -13.416 -12.047 -23.978 1.00 23.53 N ATOM 75 CA ALA A 5 -13.690 -12.523 -25.328 1.00 20.41 C ATOM 76 C ALA A 5 -13.788 -14.044 -25.364 1.00 72.24 C ATOM 77 O ALA A 5 -12.861 -14.745 -24.956 1.00 53.44 O ATOM 78 CB ALA A 5 -12.612 -12.039 -26.287 1.00 73.13 C ATOM 0 H ALA A 5 -12.706 -12.583 -23.478 1.00 23.53 H new ATOM 0 HA ALA A 5 -14.651 -12.115 -25.643 1.00 20.41 H new ATOM 0 HB1 ALA A 5 -12.829 -12.402 -27.292 1.00 73.13 H new ATOM 0 HB2 ALA A 5 -12.591 -10.949 -26.291 1.00 73.13 H new ATOM 0 HB3 ALA A 5 -11.642 -12.419 -25.966 1.00 73.13 H new ATOM 84 N ILE A 6 -14.915 -14.548 -25.854 1.00 43.32 N ATOM 85 CA ILE A 6 -15.133 -15.987 -25.943 1.00 34.32 C ATOM 86 C ILE A 6 -15.290 -16.430 -27.394 1.00 75.13 C ATOM 87 O ILE A 6 -15.938 -15.754 -28.193 1.00 43.54 O ATOM 88 CB ILE A 6 -16.380 -16.418 -25.149 1.00 0.45 C ATOM 89 CG1 ILE A 6 -16.465 -17.944 -25.079 1.00 74.23 C ATOM 90 CG2 ILE A 6 -17.638 -15.840 -25.782 1.00 73.33 C ATOM 91 CD1 ILE A 6 -15.411 -18.567 -24.191 1.00 10.23 C ATOM 0 H ILE A 6 -15.692 -13.982 -26.196 1.00 43.32 H new ATOM 0 HA ILE A 6 -14.254 -16.467 -25.512 1.00 34.32 H new ATOM 0 HB ILE A 6 -16.297 -16.031 -24.134 1.00 0.45 H new ATOM 0 HG12 ILE A 6 -17.452 -18.229 -24.713 1.00 74.23 H new ATOM 0 HG13 ILE A 6 -16.368 -18.352 -26.085 1.00 74.23 H new ATOM 0 HG21 ILE A 6 -18.511 -16.154 -25.209 1.00 73.33 H new ATOM 0 HG22 ILE A 6 -17.577 -14.752 -25.784 1.00 73.33 H new ATOM 0 HG23 ILE A 6 -17.728 -16.200 -26.807 1.00 73.33 H new ATOM 0 HD11 ILE A 6 -15.531 -19.650 -24.189 1.00 10.23 H new ATOM 0 HD12 ILE A 6 -14.421 -18.313 -24.568 1.00 10.23 H new ATOM 0 HD13 ILE A 6 -15.521 -18.188 -23.175 1.00 10.23 H new ATOM 103 N ILE A 7 -14.695 -17.570 -27.726 1.00 61.12 N ATOM 104 CA ILE A 7 -14.771 -18.106 -29.080 1.00 70.24 C ATOM 105 C ILE A 7 -15.706 -19.309 -29.143 1.00 73.23 C ATOM 106 O ILE A 7 -15.657 -20.191 -28.288 1.00 74.32 O ATOM 107 CB ILE A 7 -13.383 -18.520 -29.600 1.00 43.34 C ATOM 108 CG1 ILE A 7 -12.384 -17.374 -29.423 1.00 24.22 C ATOM 109 CG2 ILE A 7 -13.467 -18.935 -31.062 1.00 55.12 C ATOM 110 CD1 ILE A 7 -12.773 -16.114 -30.165 1.00 21.24 C ATOM 0 H ILE A 7 -14.155 -18.141 -27.076 1.00 61.12 H new ATOM 0 HA ILE A 7 -15.164 -17.310 -29.713 1.00 70.24 H new ATOM 0 HB ILE A 7 -13.034 -19.374 -29.019 1.00 43.34 H new ATOM 0 HG12 ILE A 7 -12.289 -17.146 -28.361 1.00 24.22 H new ATOM 0 HG13 ILE A 7 -11.403 -17.701 -29.768 1.00 24.22 H new ATOM 0 HG21 ILE A 7 -12.477 -19.225 -31.415 1.00 55.12 H new ATOM 0 HG22 ILE A 7 -14.150 -19.779 -31.162 1.00 55.12 H new ATOM 0 HG23 ILE A 7 -13.834 -18.099 -31.657 1.00 55.12 H new ATOM 0 HD11 ILE A 7 -12.020 -15.344 -29.995 1.00 21.24 H new ATOM 0 HD12 ILE A 7 -12.840 -16.326 -31.232 1.00 21.24 H new ATOM 0 HD13 ILE A 7 -13.739 -15.763 -29.804 1.00 21.24 H new ATOM 122 N ASN A 8 -16.556 -19.338 -30.165 1.00 44.31 N ATOM 123 CA ASN A 8 -17.501 -20.434 -30.341 1.00 54.12 C ATOM 124 C ASN A 8 -17.204 -21.208 -31.622 1.00 3.45 C ATOM 125 O ASN A 8 -17.901 -21.060 -32.625 1.00 74.11 O ATOM 126 CB ASN A 8 -18.934 -19.899 -30.376 1.00 64.50 C ATOM 127 CG ASN A 8 -19.966 -20.995 -30.193 1.00 13.51 C ATOM 128 OD1 ASN A 8 -20.578 -21.454 -31.158 1.00 51.34 O ATOM 129 ND2 ASN A 8 -20.163 -21.420 -28.951 1.00 52.55 N ATOM 0 H ASN A 8 -16.609 -18.615 -30.883 1.00 44.31 H new ATOM 0 HA ASN A 8 -17.394 -21.112 -29.494 1.00 54.12 H new ATOM 0 HB2 ASN A 8 -19.059 -19.152 -29.592 1.00 64.50 H new ATOM 0 HB3 ASN A 8 -19.108 -19.396 -31.327 1.00 64.50 H new ATOM 0 HD21 ASN A 8 -20.844 -22.156 -28.766 1.00 52.55 H new ATOM 0 HD22 ASN A 8 -19.633 -21.011 -28.182 1.00 52.55 H new ATOM 136 N GLY A 9 -16.164 -22.035 -31.580 1.00 64.02 N ATOM 137 CA GLY A 9 -15.793 -22.820 -32.743 1.00 71.24 C ATOM 138 C GLY A 9 -16.079 -24.297 -32.560 1.00 4.45 C ATOM 139 O GLY A 9 -16.250 -24.770 -31.436 1.00 51.23 O ATOM 0 H GLY A 9 -15.572 -22.175 -30.761 1.00 64.02 H new ATOM 0 HA2 GLY A 9 -16.336 -22.453 -33.614 1.00 71.24 H new ATOM 0 HA3 GLY A 9 -14.731 -22.681 -32.948 1.00 71.24 H new ATOM 143 N LYS A 10 -16.133 -25.029 -33.668 1.00 61.35 N ATOM 144 CA LYS A 10 -16.401 -26.462 -33.627 1.00 63.23 C ATOM 145 C LYS A 10 -15.101 -27.256 -33.556 1.00 15.24 C ATOM 146 O LYS A 10 -15.065 -28.360 -33.011 1.00 72.44 O ATOM 147 CB LYS A 10 -17.205 -26.886 -34.857 1.00 21.11 C ATOM 148 CG LYS A 10 -17.694 -28.323 -34.799 1.00 0.45 C ATOM 149 CD LYS A 10 -18.553 -28.670 -36.003 1.00 62.51 C ATOM 150 CE LYS A 10 -20.017 -28.342 -35.756 1.00 31.44 C ATOM 151 NZ LYS A 10 -20.307 -26.899 -35.977 1.00 14.44 N1+ ATOM 0 H LYS A 10 -15.995 -24.653 -34.606 1.00 61.35 H new ATOM 0 HA LYS A 10 -16.984 -26.673 -32.730 1.00 63.23 H new ATOM 0 HB2 LYS A 10 -18.063 -26.223 -34.966 1.00 21.11 H new ATOM 0 HB3 LYS A 10 -16.588 -26.757 -35.746 1.00 21.11 H new ATOM 0 HG2 LYS A 10 -16.839 -28.997 -34.755 1.00 0.45 H new ATOM 0 HG3 LYS A 10 -18.268 -28.476 -33.885 1.00 0.45 H new ATOM 0 HD2 LYS A 10 -18.198 -28.121 -36.875 1.00 62.51 H new ATOM 0 HD3 LYS A 10 -18.450 -29.731 -36.231 1.00 62.51 H new ATOM 0 HE2 LYS A 10 -20.640 -28.943 -36.418 1.00 31.44 H new ATOM 0 HE3 LYS A 10 -20.283 -28.613 -34.734 1.00 31.44 H new ATOM 0 HZ1 LYS A 10 -21.278 -26.791 -36.333 1.00 14.44 H new ATOM 0 HZ2 LYS A 10 -20.207 -26.383 -35.079 1.00 14.44 H new ATOM 0 HZ3 LYS A 10 -19.638 -26.513 -36.674 1.00 14.44 H new ATOM 165 N THR A 11 -14.035 -26.688 -34.110 1.00 75.42 N ATOM 166 CA THR A 11 -12.733 -27.344 -34.110 1.00 45.15 C ATOM 167 C THR A 11 -11.777 -26.667 -33.134 1.00 43.34 C ATOM 168 O THR A 11 -11.053 -27.335 -32.395 1.00 53.01 O ATOM 169 CB THR A 11 -12.102 -27.340 -35.515 1.00 51.20 C ATOM 170 OG1 THR A 11 -13.104 -27.604 -36.503 1.00 61.24 O ATOM 171 CG2 THR A 11 -10.997 -28.381 -35.615 1.00 64.34 C ATOM 0 H THR A 11 -14.047 -25.775 -34.565 1.00 75.42 H new ATOM 0 HA THR A 11 -12.898 -28.375 -33.797 1.00 45.15 H new ATOM 0 HB THR A 11 -11.669 -26.355 -35.692 1.00 51.20 H new ATOM 0 HG1 THR A 11 -12.695 -27.598 -37.394 1.00 61.24 H new ATOM 0 HG21 THR A 11 -10.566 -28.360 -36.616 1.00 64.34 H new ATOM 0 HG22 THR A 11 -10.222 -28.160 -34.882 1.00 64.34 H new ATOM 0 HG23 THR A 11 -11.410 -29.370 -35.419 1.00 64.34 H new ATOM 179 N LEU A 12 -11.780 -25.339 -33.136 1.00 14.20 N ATOM 180 CA LEU A 12 -10.912 -24.571 -32.249 1.00 71.25 C ATOM 181 C LEU A 12 -11.734 -23.703 -31.301 1.00 11.25 C ATOM 182 O LEU A 12 -12.387 -22.749 -31.724 1.00 31.51 O ATOM 183 CB LEU A 12 -9.962 -23.695 -33.066 1.00 3.23 C ATOM 184 CG LEU A 12 -10.580 -22.965 -34.260 1.00 35.12 C ATOM 185 CD1 LEU A 12 -9.852 -21.656 -34.520 1.00 11.42 C ATOM 186 CD2 LEU A 12 -10.552 -23.849 -35.498 1.00 24.33 C ATOM 0 H LEU A 12 -12.373 -24.771 -33.741 1.00 14.20 H new ATOM 0 HA LEU A 12 -10.328 -25.273 -31.655 1.00 71.25 H new ATOM 0 HB2 LEU A 12 -9.522 -22.953 -32.400 1.00 3.23 H new ATOM 0 HB3 LEU A 12 -9.147 -24.320 -33.430 1.00 3.23 H new ATOM 0 HG LEU A 12 -11.620 -22.738 -34.024 1.00 35.12 H new ATOM 0 HD11 LEU A 12 -10.305 -21.151 -35.373 1.00 11.42 H new ATOM 0 HD12 LEU A 12 -9.925 -21.018 -33.639 1.00 11.42 H new ATOM 0 HD13 LEU A 12 -8.803 -21.860 -34.735 1.00 11.42 H new ATOM 0 HD21 LEU A 12 -10.996 -23.314 -36.337 1.00 24.33 H new ATOM 0 HD22 LEU A 12 -9.521 -24.108 -35.737 1.00 24.33 H new ATOM 0 HD23 LEU A 12 -11.120 -24.760 -35.308 1.00 24.33 H new ATOM 198 N LYS A 13 -11.696 -24.040 -30.016 1.00 74.53 N ATOM 199 CA LYS A 13 -12.434 -23.290 -29.006 1.00 63.41 C ATOM 200 C LYS A 13 -11.518 -22.875 -27.860 1.00 51.50 C ATOM 201 O LYS A 13 -10.738 -23.681 -27.353 1.00 41.22 O ATOM 202 CB LYS A 13 -13.596 -24.128 -28.468 1.00 61.25 C ATOM 203 CG LYS A 13 -14.439 -23.403 -27.433 1.00 35.23 C ATOM 204 CD LYS A 13 -13.908 -23.624 -26.027 1.00 31.02 C ATOM 205 CE LYS A 13 -14.975 -23.350 -24.978 1.00 52.41 C ATOM 206 NZ LYS A 13 -15.305 -21.900 -24.888 1.00 2.51 N1+ ATOM 0 H LYS A 13 -11.162 -24.828 -29.649 1.00 74.53 H new ATOM 0 HA LYS A 13 -12.830 -22.389 -29.475 1.00 63.41 H new ATOM 0 HB2 LYS A 13 -14.234 -24.426 -29.300 1.00 61.25 H new ATOM 0 HB3 LYS A 13 -13.200 -25.042 -28.026 1.00 61.25 H new ATOM 0 HG2 LYS A 13 -14.451 -22.336 -27.655 1.00 35.23 H new ATOM 0 HG3 LYS A 13 -15.470 -23.752 -27.493 1.00 35.23 H new ATOM 0 HD2 LYS A 13 -13.554 -24.650 -25.928 1.00 31.02 H new ATOM 0 HD3 LYS A 13 -13.051 -22.973 -25.854 1.00 31.02 H new ATOM 0 HE2 LYS A 13 -15.876 -23.913 -25.221 1.00 52.41 H new ATOM 0 HE3 LYS A 13 -14.629 -23.705 -24.007 1.00 52.41 H new ATOM 0 HZ1 LYS A 13 -15.434 -21.635 -23.891 1.00 2.51 H new ATOM 0 HZ2 LYS A 13 -14.529 -21.341 -25.297 1.00 2.51 H new ATOM 0 HZ3 LYS A 13 -16.182 -21.710 -25.413 1.00 2.51 H new ATOM 220 N GLY A 14 -11.618 -21.613 -27.454 1.00 72.31 N ATOM 221 CA GLY A 14 -10.794 -21.114 -26.369 1.00 53.44 C ATOM 222 C GLY A 14 -11.489 -20.037 -25.560 1.00 32.23 C ATOM 223 O GLY A 14 -12.712 -19.911 -25.607 1.00 62.11 O ATOM 0 H GLY A 14 -12.256 -20.927 -27.858 1.00 72.31 H new ATOM 0 HA2 GLY A 14 -10.525 -21.941 -25.712 1.00 53.44 H new ATOM 0 HA3 GLY A 14 -9.865 -20.715 -26.776 1.00 53.44 H new ATOM 227 N GLU A 15 -10.708 -19.261 -24.816 1.00 72.40 N ATOM 228 CA GLU A 15 -11.258 -18.191 -23.991 1.00 14.51 C ATOM 229 C GLU A 15 -10.151 -17.272 -23.483 1.00 2.11 C ATOM 230 O GLU A 15 -9.260 -17.701 -22.748 1.00 50.33 O ATOM 231 CB GLU A 15 -12.034 -18.776 -22.809 1.00 41.21 C ATOM 232 CG GLU A 15 -11.207 -19.708 -21.940 1.00 33.00 C ATOM 233 CD GLU A 15 -12.063 -20.639 -21.104 1.00 5.33 C ATOM 234 OE1 GLU A 15 -12.456 -20.241 -19.987 1.00 42.21 O ATOM 235 OE2 GLU A 15 -12.340 -21.766 -21.566 1.00 1.43 O1- ATOM 0 H GLU A 15 -9.693 -19.353 -24.767 1.00 72.40 H new ATOM 0 HA GLU A 15 -11.938 -17.604 -24.608 1.00 14.51 H new ATOM 0 HB2 GLU A 15 -12.412 -17.960 -22.194 1.00 41.21 H new ATOM 0 HB3 GLU A 15 -12.901 -19.319 -23.187 1.00 41.21 H new ATOM 0 HG2 GLU A 15 -10.546 -20.299 -22.574 1.00 33.00 H new ATOM 0 HG3 GLU A 15 -10.571 -19.116 -21.282 1.00 33.00 H new ATOM 242 N THR A 16 -10.213 -16.005 -23.880 1.00 64.02 N ATOM 243 CA THR A 16 -9.216 -15.025 -23.467 1.00 12.05 C ATOM 244 C THR A 16 -9.877 -13.747 -22.964 1.00 42.21 C ATOM 245 O THR A 16 -11.084 -13.556 -23.120 1.00 10.11 O ATOM 246 CB THR A 16 -8.260 -14.675 -24.623 1.00 72.14 C ATOM 247 OG1 THR A 16 -7.176 -13.876 -24.137 1.00 21.02 O ATOM 248 CG2 THR A 16 -8.995 -13.925 -25.724 1.00 32.22 C ATOM 0 H THR A 16 -10.943 -15.633 -24.487 1.00 64.02 H new ATOM 0 HA THR A 16 -8.644 -15.478 -22.657 1.00 12.05 H new ATOM 0 HB THR A 16 -7.869 -15.605 -25.036 1.00 72.14 H new ATOM 0 HG1 THR A 16 -6.572 -13.659 -24.877 1.00 21.02 H new ATOM 0 HG21 THR A 16 -8.300 -13.688 -26.530 1.00 32.22 H new ATOM 0 HG22 THR A 16 -9.802 -14.547 -26.112 1.00 32.22 H new ATOM 0 HG23 THR A 16 -9.411 -13.002 -25.320 1.00 32.22 H new ATOM 256 N THR A 17 -9.079 -12.872 -22.360 1.00 12.33 N ATOM 257 CA THR A 17 -9.587 -11.611 -21.833 1.00 4.32 C ATOM 258 C THR A 17 -9.060 -10.428 -22.636 1.00 2.10 C ATOM 259 O THR A 17 -8.131 -10.568 -23.433 1.00 50.51 O ATOM 260 CB THR A 17 -9.202 -11.425 -20.353 1.00 64.52 C ATOM 261 OG1 THR A 17 -7.800 -11.654 -20.179 1.00 35.25 O ATOM 262 CG2 THR A 17 -9.990 -12.376 -19.465 1.00 52.12 C ATOM 0 H THR A 17 -8.078 -13.013 -22.224 1.00 12.33 H new ATOM 0 HA THR A 17 -10.673 -11.648 -21.916 1.00 4.32 H new ATOM 0 HB THR A 17 -9.441 -10.401 -20.064 1.00 64.52 H new ATOM 0 HG1 THR A 17 -7.563 -11.532 -19.236 1.00 35.25 H new ATOM 0 HG21 THR A 17 -9.701 -12.226 -18.425 1.00 52.12 H new ATOM 0 HG22 THR A 17 -11.056 -12.179 -19.577 1.00 52.12 H new ATOM 0 HG23 THR A 17 -9.778 -13.405 -19.756 1.00 52.12 H new ATOM 270 N THR A 18 -9.658 -9.260 -22.423 1.00 22.31 N ATOM 271 CA THR A 18 -9.249 -8.051 -23.127 1.00 2.54 C ATOM 272 C THR A 18 -9.337 -6.830 -22.220 1.00 23.33 C ATOM 273 O THR A 18 -10.411 -6.489 -21.726 1.00 54.25 O ATOM 274 CB THR A 18 -10.114 -7.810 -24.378 1.00 23.14 C ATOM 275 OG1 THR A 18 -10.521 -9.063 -24.941 1.00 34.30 O ATOM 276 CG2 THR A 18 -9.350 -7.005 -25.418 1.00 44.33 C ATOM 0 H THR A 18 -10.428 -9.126 -21.768 1.00 22.31 H new ATOM 0 HA THR A 18 -8.213 -8.199 -23.433 1.00 2.54 H new ATOM 0 HB THR A 18 -10.996 -7.243 -24.079 1.00 23.14 H new ATOM 0 HG1 THR A 18 -11.072 -8.901 -25.735 1.00 34.30 H new ATOM 0 HG21 THR A 18 -9.982 -6.848 -26.292 1.00 44.33 H new ATOM 0 HG22 THR A 18 -9.068 -6.040 -24.996 1.00 44.33 H new ATOM 0 HG23 THR A 18 -8.453 -7.549 -25.712 1.00 44.33 H new ATOM 284 N GLU A 19 -8.200 -6.174 -22.005 1.00 43.54 N ATOM 285 CA GLU A 19 -8.150 -4.990 -21.156 1.00 43.13 C ATOM 286 C GLU A 19 -7.692 -3.770 -21.950 1.00 53.51 C ATOM 287 O GLU A 19 -6.511 -3.629 -22.266 1.00 62.32 O ATOM 288 CB GLU A 19 -7.210 -5.223 -19.972 1.00 75.33 C ATOM 289 CG GLU A 19 -7.876 -5.913 -18.793 1.00 64.13 C ATOM 290 CD GLU A 19 -7.838 -7.425 -18.904 1.00 55.41 C ATOM 291 OE1 GLU A 19 -7.064 -8.055 -18.153 1.00 63.52 O ATOM 292 OE2 GLU A 19 -8.581 -7.978 -19.741 1.00 10.35 O1- ATOM 0 H GLU A 19 -7.302 -6.443 -22.407 1.00 43.54 H new ATOM 0 HA GLU A 19 -9.156 -4.801 -20.781 1.00 43.13 H new ATOM 0 HB2 GLU A 19 -6.364 -5.825 -20.304 1.00 75.33 H new ATOM 0 HB3 GLU A 19 -6.810 -4.264 -19.642 1.00 75.33 H new ATOM 0 HG2 GLU A 19 -7.381 -5.608 -17.871 1.00 64.13 H new ATOM 0 HG3 GLU A 19 -8.913 -5.584 -18.722 1.00 64.13 H new ATOM 299 N ALA A 20 -8.637 -2.891 -22.271 1.00 42.41 N ATOM 300 CA ALA A 20 -8.331 -1.683 -23.027 1.00 61.43 C ATOM 301 C ALA A 20 -9.193 -0.513 -22.564 1.00 34.43 C ATOM 302 O ALA A 20 -10.173 -0.698 -21.842 1.00 52.30 O ATOM 303 CB ALA A 20 -8.526 -1.928 -24.516 1.00 42.42 C ATOM 0 H ALA A 20 -9.620 -2.993 -22.019 1.00 42.41 H new ATOM 0 HA ALA A 20 -7.287 -1.426 -22.846 1.00 61.43 H new ATOM 0 HB1 ALA A 20 -8.294 -1.017 -25.068 1.00 42.42 H new ATOM 0 HB2 ALA A 20 -7.863 -2.729 -24.843 1.00 42.42 H new ATOM 0 HB3 ALA A 20 -9.561 -2.213 -24.705 1.00 42.42 H new ATOM 309 N VAL A 21 -8.821 0.692 -22.984 1.00 11.54 N ATOM 310 CA VAL A 21 -9.561 1.892 -22.613 1.00 64.42 C ATOM 311 C VAL A 21 -10.939 1.912 -23.263 1.00 23.33 C ATOM 312 O VAL A 21 -11.952 2.109 -22.590 1.00 70.44 O ATOM 313 CB VAL A 21 -8.798 3.169 -23.015 1.00 32.04 C ATOM 314 CG1 VAL A 21 -9.494 4.403 -22.463 1.00 72.54 C ATOM 315 CG2 VAL A 21 -7.356 3.100 -22.535 1.00 45.25 C ATOM 0 H VAL A 21 -8.012 0.863 -23.581 1.00 11.54 H new ATOM 0 HA VAL A 21 -9.674 1.870 -21.529 1.00 64.42 H new ATOM 0 HB VAL A 21 -8.792 3.241 -24.103 1.00 32.04 H new ATOM 0 HG11 VAL A 21 -8.941 5.295 -22.757 1.00 72.54 H new ATOM 0 HG12 VAL A 21 -10.508 4.457 -22.860 1.00 72.54 H new ATOM 0 HG13 VAL A 21 -9.533 4.343 -21.375 1.00 72.54 H new ATOM 0 HG21 VAL A 21 -6.831 4.010 -22.827 1.00 45.25 H new ATOM 0 HG22 VAL A 21 -7.338 3.004 -21.449 1.00 45.25 H new ATOM 0 HG23 VAL A 21 -6.864 2.237 -22.984 1.00 45.25 H new ATOM 325 N ASP A 22 -10.971 1.705 -24.575 1.00 42.31 N ATOM 326 CA ASP A 22 -12.226 1.697 -25.317 1.00 1.33 C ATOM 327 C ASP A 22 -12.372 0.410 -26.124 1.00 73.21 C ATOM 328 O ASP A 22 -11.520 -0.475 -26.058 1.00 2.50 O ATOM 329 CB ASP A 22 -12.302 2.908 -26.247 1.00 0.34 C ATOM 330 CG ASP A 22 -13.712 3.448 -26.382 1.00 65.24 C ATOM 331 OD1 ASP A 22 -14.653 2.774 -25.913 1.00 31.54 O ATOM 332 OD2 ASP A 22 -13.874 4.545 -26.956 1.00 73.30 O1- ATOM 0 H ASP A 22 -10.142 1.541 -25.146 1.00 42.31 H new ATOM 0 HA ASP A 22 -13.044 1.749 -24.599 1.00 1.33 H new ATOM 0 HB2 ASP A 22 -11.650 3.695 -25.868 1.00 0.34 H new ATOM 0 HB3 ASP A 22 -11.927 2.630 -27.232 1.00 0.34 H new ATOM 337 N ALA A 23 -13.457 0.315 -26.886 1.00 3.24 N ATOM 338 CA ALA A 23 -13.714 -0.862 -27.706 1.00 54.33 C ATOM 339 C ALA A 23 -12.915 -0.811 -29.004 1.00 5.03 C ATOM 340 O ALA A 23 -12.480 -1.841 -29.517 1.00 12.02 O ATOM 341 CB ALA A 23 -15.201 -0.984 -28.003 1.00 24.43 C ATOM 0 H ALA A 23 -14.172 1.039 -26.952 1.00 3.24 H new ATOM 0 HA ALA A 23 -13.394 -1.741 -27.147 1.00 54.33 H new ATOM 0 HB1 ALA A 23 -15.378 -1.867 -28.616 1.00 24.43 H new ATOM 0 HB2 ALA A 23 -15.753 -1.075 -27.067 1.00 24.43 H new ATOM 0 HB3 ALA A 23 -15.539 -0.097 -28.539 1.00 24.43 H new ATOM 347 N ALA A 24 -12.728 0.395 -29.531 1.00 2.42 N ATOM 348 CA ALA A 24 -11.980 0.580 -30.769 1.00 1.04 C ATOM 349 C ALA A 24 -10.510 0.222 -30.581 1.00 20.15 C ATOM 350 O ALA A 24 -9.902 -0.421 -31.438 1.00 1.23 O ATOM 351 CB ALA A 24 -12.118 2.014 -31.259 1.00 53.41 C ATOM 0 H ALA A 24 -13.084 1.258 -29.120 1.00 2.42 H new ATOM 0 HA ALA A 24 -12.397 -0.091 -31.520 1.00 1.04 H new ATOM 0 HB1 ALA A 24 -11.555 2.138 -32.184 1.00 53.41 H new ATOM 0 HB2 ALA A 24 -13.169 2.236 -31.442 1.00 53.41 H new ATOM 0 HB3 ALA A 24 -11.729 2.696 -30.503 1.00 53.41 H new ATOM 357 N THR A 25 -9.942 0.643 -29.455 1.00 32.45 N ATOM 358 CA THR A 25 -8.542 0.368 -29.156 1.00 64.24 C ATOM 359 C THR A 25 -8.261 -1.130 -29.168 1.00 62.03 C ATOM 360 O THR A 25 -7.240 -1.575 -29.691 1.00 44.02 O ATOM 361 CB THR A 25 -8.137 0.944 -27.786 1.00 73.41 C ATOM 362 OG1 THR A 25 -8.497 2.328 -27.711 1.00 72.11 O ATOM 363 CG2 THR A 25 -6.641 0.790 -27.556 1.00 4.30 C ATOM 0 H THR A 25 -10.430 1.176 -28.735 1.00 32.45 H new ATOM 0 HA THR A 25 -7.952 0.852 -29.934 1.00 64.24 H new ATOM 0 HB THR A 25 -8.667 0.389 -27.012 1.00 73.41 H new ATOM 0 HG1 THR A 25 -8.238 2.686 -26.837 1.00 72.11 H new ATOM 0 HG21 THR A 25 -6.378 1.204 -26.582 1.00 4.30 H new ATOM 0 HG22 THR A 25 -6.375 -0.267 -27.585 1.00 4.30 H new ATOM 0 HG23 THR A 25 -6.096 1.323 -28.336 1.00 4.30 H new ATOM 371 N ALA A 26 -9.174 -1.903 -28.590 1.00 74.02 N ATOM 372 CA ALA A 26 -9.025 -3.352 -28.537 1.00 53.15 C ATOM 373 C ALA A 26 -9.346 -3.987 -29.886 1.00 23.31 C ATOM 374 O ALA A 26 -8.866 -5.075 -30.200 1.00 2.03 O ATOM 375 CB ALA A 26 -9.917 -3.935 -27.451 1.00 11.33 C ATOM 0 H ALA A 26 -10.025 -1.550 -28.152 1.00 74.02 H new ATOM 0 HA ALA A 26 -7.986 -3.577 -28.298 1.00 53.15 H new ATOM 0 HB1 ALA A 26 -9.796 -5.018 -27.423 1.00 11.33 H new ATOM 0 HB2 ALA A 26 -9.638 -3.513 -26.485 1.00 11.33 H new ATOM 0 HB3 ALA A 26 -10.958 -3.692 -27.666 1.00 11.33 H new ATOM 381 N GLU A 27 -10.163 -3.300 -30.678 1.00 4.11 N ATOM 382 CA GLU A 27 -10.549 -3.799 -31.993 1.00 11.53 C ATOM 383 C GLU A 27 -9.388 -3.693 -32.978 1.00 23.50 C ATOM 384 O GLU A 27 -9.207 -4.556 -33.837 1.00 52.42 O ATOM 385 CB GLU A 27 -11.755 -3.021 -32.524 1.00 72.31 C ATOM 386 CG GLU A 27 -13.092 -3.599 -32.090 1.00 43.22 C ATOM 387 CD GLU A 27 -13.591 -4.681 -33.027 1.00 0.43 C ATOM 388 OE1 GLU A 27 -14.238 -4.337 -34.039 1.00 23.21 O ATOM 389 OE2 GLU A 27 -13.336 -5.871 -32.750 1.00 4.43 O1- ATOM 0 H GLU A 27 -10.570 -2.398 -30.433 1.00 4.11 H new ATOM 0 HA GLU A 27 -10.820 -4.850 -31.889 1.00 11.53 H new ATOM 0 HB2 GLU A 27 -11.688 -1.987 -32.184 1.00 72.31 H new ATOM 0 HB3 GLU A 27 -11.713 -3.002 -33.613 1.00 72.31 H new ATOM 0 HG2 GLU A 27 -12.997 -4.010 -31.085 1.00 43.22 H new ATOM 0 HG3 GLU A 27 -13.830 -2.799 -32.039 1.00 43.22 H new ATOM 396 N LYS A 28 -8.604 -2.628 -32.847 1.00 43.34 N ATOM 397 CA LYS A 28 -7.460 -2.408 -33.723 1.00 2.12 C ATOM 398 C LYS A 28 -6.534 -3.620 -33.725 1.00 23.24 C ATOM 399 O LYS A 28 -5.963 -3.976 -34.755 1.00 44.21 O ATOM 400 CB LYS A 28 -6.686 -1.163 -33.282 1.00 40.24 C ATOM 401 CG LYS A 28 -7.202 0.124 -33.900 1.00 74.32 C ATOM 402 CD LYS A 28 -6.788 1.339 -33.087 1.00 34.15 C ATOM 403 CE LYS A 28 -7.117 2.635 -33.812 1.00 4.23 C ATOM 404 NZ LYS A 28 -6.680 3.830 -33.039 1.00 4.24 N1+ ATOM 0 H LYS A 28 -8.740 -1.904 -32.142 1.00 43.34 H new ATOM 0 HA LYS A 28 -7.834 -2.257 -34.736 1.00 2.12 H new ATOM 0 HB2 LYS A 28 -6.736 -1.080 -32.196 1.00 40.24 H new ATOM 0 HB3 LYS A 28 -5.635 -1.287 -33.545 1.00 40.24 H new ATOM 0 HG2 LYS A 28 -6.821 0.219 -34.917 1.00 74.32 H new ATOM 0 HG3 LYS A 28 -8.289 0.085 -33.969 1.00 74.32 H new ATOM 0 HD2 LYS A 28 -7.295 1.322 -32.122 1.00 34.15 H new ATOM 0 HD3 LYS A 28 -5.718 1.295 -32.886 1.00 34.15 H new ATOM 0 HE2 LYS A 28 -6.633 2.638 -34.789 1.00 4.23 H new ATOM 0 HE3 LYS A 28 -8.191 2.690 -33.988 1.00 4.23 H new ATOM 0 HZ1 LYS A 28 -6.922 4.693 -33.567 1.00 4.24 H new ATOM 0 HZ2 LYS A 28 -7.161 3.842 -32.117 1.00 4.24 H new ATOM 0 HZ3 LYS A 28 -5.651 3.791 -32.892 1.00 4.24 H new ATOM 418 N VAL A 29 -6.392 -4.252 -32.564 1.00 21.30 N ATOM 419 CA VAL A 29 -5.538 -5.427 -32.433 1.00 25.12 C ATOM 420 C VAL A 29 -6.239 -6.677 -32.951 1.00 3.02 C ATOM 421 O VAL A 29 -5.593 -7.616 -33.417 1.00 53.33 O ATOM 422 CB VAL A 29 -5.120 -5.656 -30.968 1.00 45.21 C ATOM 423 CG1 VAL A 29 -4.220 -6.877 -30.854 1.00 44.51 C ATOM 424 CG2 VAL A 29 -4.430 -4.420 -30.411 1.00 72.10 C ATOM 0 H VAL A 29 -6.857 -3.970 -31.701 1.00 21.30 H new ATOM 0 HA VAL A 29 -4.647 -5.239 -33.033 1.00 25.12 H new ATOM 0 HB VAL A 29 -6.017 -5.840 -30.377 1.00 45.21 H new ATOM 0 HG11 VAL A 29 -3.935 -7.023 -29.812 1.00 44.51 H new ATOM 0 HG12 VAL A 29 -4.754 -7.757 -31.211 1.00 44.51 H new ATOM 0 HG13 VAL A 29 -3.325 -6.727 -31.457 1.00 44.51 H new ATOM 0 HG21 VAL A 29 -4.142 -4.600 -29.375 1.00 72.10 H new ATOM 0 HG22 VAL A 29 -3.541 -4.202 -31.003 1.00 72.10 H new ATOM 0 HG23 VAL A 29 -5.112 -3.571 -30.455 1.00 72.10 H new ATOM 434 N PHE A 30 -7.565 -6.682 -32.868 1.00 64.42 N ATOM 435 CA PHE A 30 -8.356 -7.818 -33.329 1.00 35.02 C ATOM 436 C PHE A 30 -8.346 -7.905 -34.853 1.00 62.14 C ATOM 437 O PHE A 30 -8.165 -8.980 -35.424 1.00 3.15 O ATOM 438 CB PHE A 30 -9.795 -7.704 -32.823 1.00 12.44 C ATOM 439 CG PHE A 30 -9.994 -8.277 -31.449 1.00 52.15 C ATOM 440 CD1 PHE A 30 -9.126 -7.958 -30.418 1.00 52.04 C ATOM 441 CD2 PHE A 30 -11.050 -9.135 -31.189 1.00 11.01 C ATOM 442 CE1 PHE A 30 -9.306 -8.483 -29.152 1.00 11.44 C ATOM 443 CE2 PHE A 30 -11.236 -9.663 -29.925 1.00 32.40 C ATOM 444 CZ PHE A 30 -10.363 -9.338 -28.906 1.00 5.33 C ATOM 0 H PHE A 30 -8.115 -5.913 -32.486 1.00 64.42 H new ATOM 0 HA PHE A 30 -7.908 -8.727 -32.928 1.00 35.02 H new ATOM 0 HB2 PHE A 30 -10.087 -6.654 -32.816 1.00 12.44 H new ATOM 0 HB3 PHE A 30 -10.459 -8.215 -33.521 1.00 12.44 H new ATOM 0 HD1 PHE A 30 -8.298 -7.291 -30.606 1.00 52.04 H new ATOM 0 HD2 PHE A 30 -11.735 -9.394 -31.982 1.00 11.01 H new ATOM 0 HE1 PHE A 30 -8.622 -8.225 -28.357 1.00 11.44 H new ATOM 0 HE2 PHE A 30 -12.064 -10.330 -29.735 1.00 32.40 H new ATOM 0 HZ PHE A 30 -10.506 -9.751 -27.919 1.00 5.33 H new ATOM 454 N LYS A 31 -8.543 -6.764 -35.505 1.00 13.35 N ATOM 455 CA LYS A 31 -8.557 -6.708 -36.962 1.00 22.03 C ATOM 456 C LYS A 31 -7.222 -7.172 -37.537 1.00 4.01 C ATOM 457 O LYS A 31 -7.161 -7.673 -38.659 1.00 74.12 O ATOM 458 CB LYS A 31 -8.861 -5.285 -37.436 1.00 52.34 C ATOM 459 CG LYS A 31 -7.855 -4.255 -36.953 1.00 74.40 C ATOM 460 CD LYS A 31 -8.060 -2.913 -37.635 1.00 13.51 C ATOM 461 CE LYS A 31 -9.268 -2.180 -37.073 1.00 21.40 C ATOM 462 NZ LYS A 31 -10.520 -2.537 -37.796 1.00 50.35 N1+ ATOM 0 H LYS A 31 -8.695 -5.865 -35.047 1.00 13.35 H new ATOM 0 HA LYS A 31 -9.339 -7.378 -37.319 1.00 22.03 H new ATOM 0 HB2 LYS A 31 -8.887 -5.272 -38.526 1.00 52.34 H new ATOM 0 HB3 LYS A 31 -9.855 -5.000 -37.090 1.00 52.34 H new ATOM 0 HG2 LYS A 31 -7.947 -4.133 -35.874 1.00 74.40 H new ATOM 0 HG3 LYS A 31 -6.844 -4.613 -37.148 1.00 74.40 H new ATOM 0 HD2 LYS A 31 -7.169 -2.299 -37.507 1.00 13.51 H new ATOM 0 HD3 LYS A 31 -8.191 -3.065 -38.706 1.00 13.51 H new ATOM 0 HE2 LYS A 31 -9.379 -2.420 -36.015 1.00 21.40 H new ATOM 0 HE3 LYS A 31 -9.104 -1.105 -37.141 1.00 21.40 H new ATOM 0 HZ1 LYS A 31 -10.906 -1.691 -38.261 1.00 50.35 H new ATOM 0 HZ2 LYS A 31 -10.313 -3.262 -38.512 1.00 50.35 H new ATOM 0 HZ3 LYS A 31 -11.217 -2.908 -37.120 1.00 50.35 H new ATOM 476 N GLN A 32 -6.157 -7.003 -36.760 1.00 12.22 N ATOM 477 CA GLN A 32 -4.824 -7.405 -37.193 1.00 64.31 C ATOM 478 C GLN A 32 -4.686 -8.924 -37.187 1.00 73.14 C ATOM 479 O GLN A 32 -3.995 -9.498 -38.030 1.00 72.14 O ATOM 480 CB GLN A 32 -3.761 -6.781 -36.288 1.00 31.11 C ATOM 481 CG GLN A 32 -3.502 -5.311 -36.578 1.00 43.12 C ATOM 482 CD GLN A 32 -2.319 -4.763 -35.805 1.00 30.42 C ATOM 483 OE1 GLN A 32 -2.475 -3.911 -34.930 1.00 41.20 O ATOM 484 NE2 GLN A 32 -1.125 -5.251 -36.124 1.00 61.01 N ATOM 0 H GLN A 32 -6.191 -6.591 -35.828 1.00 12.22 H new ATOM 0 HA GLN A 32 -4.677 -7.049 -38.213 1.00 64.31 H new ATOM 0 HB2 GLN A 32 -4.072 -6.889 -35.249 1.00 31.11 H new ATOM 0 HB3 GLN A 32 -2.829 -7.335 -36.401 1.00 31.11 H new ATOM 0 HG2 GLN A 32 -3.325 -5.181 -37.646 1.00 43.12 H new ATOM 0 HG3 GLN A 32 -4.392 -4.733 -36.330 1.00 43.12 H new ATOM 0 HE21 GLN A 32 -1.041 -5.956 -36.856 1.00 61.01 H new ATOM 0 HE22 GLN A 32 -0.292 -4.920 -35.637 1.00 61.01 H new ATOM 493 N TYR A 33 -5.346 -9.570 -36.233 1.00 0.51 N ATOM 494 CA TYR A 33 -5.294 -11.022 -36.116 1.00 64.52 C ATOM 495 C TYR A 33 -6.298 -11.681 -37.057 1.00 3.34 C ATOM 496 O TYR A 33 -6.113 -12.822 -37.481 1.00 3.14 O ATOM 497 CB TYR A 33 -5.574 -11.449 -34.674 1.00 74.12 C ATOM 498 CG TYR A 33 -4.354 -11.408 -33.782 1.00 2.13 C ATOM 499 CD1 TYR A 33 -3.996 -12.507 -33.010 1.00 44.13 C ATOM 500 CD2 TYR A 33 -3.558 -10.271 -33.711 1.00 14.23 C ATOM 501 CE1 TYR A 33 -2.883 -12.474 -32.194 1.00 22.11 C ATOM 502 CE2 TYR A 33 -2.442 -10.230 -32.899 1.00 11.55 C ATOM 503 CZ TYR A 33 -2.108 -11.334 -32.142 1.00 40.41 C ATOM 504 OH TYR A 33 -0.998 -11.297 -31.330 1.00 2.51 O ATOM 0 H TYR A 33 -5.924 -9.111 -35.529 1.00 0.51 H new ATOM 0 HA TYR A 33 -4.292 -11.348 -36.397 1.00 64.52 H new ATOM 0 HB2 TYR A 33 -6.342 -10.800 -34.254 1.00 74.12 H new ATOM 0 HB3 TYR A 33 -5.978 -12.461 -34.676 1.00 74.12 H new ATOM 0 HD1 TYR A 33 -4.599 -13.402 -33.049 1.00 44.13 H new ATOM 0 HD2 TYR A 33 -3.817 -9.404 -34.301 1.00 14.23 H new ATOM 0 HE1 TYR A 33 -2.620 -13.336 -31.599 1.00 22.11 H new ATOM 0 HE2 TYR A 33 -1.834 -9.339 -32.857 1.00 11.55 H new ATOM 0 HH TYR A 33 -0.563 -10.423 -31.410 1.00 2.51 H new ATOM 514 N PHE A 34 -7.362 -10.953 -37.380 1.00 1.24 N ATOM 515 CA PHE A 34 -8.397 -11.465 -38.271 1.00 71.25 C ATOM 516 C PHE A 34 -7.791 -11.956 -39.583 1.00 75.23 C ATOM 517 O PHE A 34 -8.222 -12.965 -40.138 1.00 24.13 O ATOM 518 CB PHE A 34 -9.440 -10.381 -38.551 1.00 45.01 C ATOM 519 CG PHE A 34 -10.470 -10.789 -39.566 1.00 40.33 C ATOM 520 CD1 PHE A 34 -11.647 -11.402 -39.170 1.00 50.01 C ATOM 521 CD2 PHE A 34 -10.260 -10.560 -40.916 1.00 32.15 C ATOM 522 CE1 PHE A 34 -12.597 -11.778 -40.101 1.00 32.33 C ATOM 523 CE2 PHE A 34 -11.206 -10.933 -41.852 1.00 24.42 C ATOM 524 CZ PHE A 34 -12.376 -11.544 -41.444 1.00 24.34 C ATOM 0 H PHE A 34 -7.530 -10.007 -37.038 1.00 1.24 H new ATOM 0 HA PHE A 34 -8.882 -12.307 -37.778 1.00 71.25 H new ATOM 0 HB2 PHE A 34 -9.942 -10.122 -37.619 1.00 45.01 H new ATOM 0 HB3 PHE A 34 -8.933 -9.482 -38.901 1.00 45.01 H new ATOM 0 HD1 PHE A 34 -11.825 -11.589 -38.121 1.00 50.01 H new ATOM 0 HD2 PHE A 34 -9.346 -10.084 -41.241 1.00 32.15 H new ATOM 0 HE1 PHE A 34 -13.511 -12.254 -39.779 1.00 32.33 H new ATOM 0 HE2 PHE A 34 -11.031 -10.747 -42.901 1.00 24.42 H new ATOM 0 HZ PHE A 34 -13.116 -11.838 -42.174 1.00 24.34 H new ATOM 534 N ASN A 35 -6.789 -11.232 -40.072 1.00 25.20 N ATOM 535 CA ASN A 35 -6.124 -11.592 -41.319 1.00 13.22 C ATOM 536 C ASN A 35 -5.062 -12.662 -41.080 1.00 14.35 C ATOM 537 O ASN A 35 -4.790 -13.486 -41.953 1.00 32.43 O ATOM 538 CB ASN A 35 -5.485 -10.357 -41.956 1.00 15.24 C ATOM 539 CG ASN A 35 -5.193 -10.552 -43.431 1.00 53.00 C ATOM 540 OD1 ASN A 35 -5.989 -11.144 -44.160 1.00 50.44 O ATOM 541 ND2 ASN A 35 -4.045 -10.055 -43.877 1.00 2.01 N ATOM 0 H ASN A 35 -6.420 -10.393 -39.624 1.00 25.20 H new ATOM 0 HA ASN A 35 -6.875 -11.995 -41.999 1.00 13.22 H new ATOM 0 HB2 ASN A 35 -6.149 -9.502 -41.830 1.00 15.24 H new ATOM 0 HB3 ASN A 35 -4.558 -10.120 -41.433 1.00 15.24 H new ATOM 0 HD21 ASN A 35 -3.793 -10.157 -44.860 1.00 2.01 H new ATOM 0 HD22 ASN A 35 -3.415 -9.572 -43.236 1.00 2.01 H new ATOM 548 N ASP A 36 -4.467 -12.641 -39.893 1.00 72.53 N ATOM 549 CA ASP A 36 -3.436 -13.610 -39.538 1.00 31.41 C ATOM 550 C ASP A 36 -3.922 -15.035 -39.781 1.00 53.41 C ATOM 551 O ASP A 36 -3.175 -15.881 -40.269 1.00 51.11 O ATOM 552 CB ASP A 36 -3.028 -13.439 -38.073 1.00 41.52 C ATOM 553 CG ASP A 36 -1.587 -13.837 -37.823 1.00 10.32 C ATOM 554 OD1 ASP A 36 -0.782 -12.953 -37.461 1.00 11.35 O ATOM 555 OD2 ASP A 36 -1.264 -15.031 -37.989 1.00 52.10 O1- ATOM 0 H ASP A 36 -4.680 -11.964 -39.160 1.00 72.53 H new ATOM 0 HA ASP A 36 -2.568 -13.429 -40.172 1.00 31.41 H new ATOM 0 HB2 ASP A 36 -3.171 -12.399 -37.778 1.00 41.52 H new ATOM 0 HB3 ASP A 36 -3.683 -14.042 -37.444 1.00 41.52 H new ATOM 560 N ASN A 37 -5.180 -15.292 -39.436 1.00 14.32 N ATOM 561 CA ASN A 37 -5.766 -16.616 -39.615 1.00 4.12 C ATOM 562 C ASN A 37 -6.638 -16.660 -40.866 1.00 70.12 C ATOM 563 O ASN A 37 -6.909 -17.730 -41.410 1.00 4.34 O ATOM 564 CB ASN A 37 -6.595 -17.000 -38.388 1.00 22.42 C ATOM 565 CG ASN A 37 -5.731 -17.439 -37.221 1.00 54.21 C ATOM 566 OD1 ASN A 37 -5.703 -18.617 -36.864 1.00 50.32 O ATOM 567 ND2 ASN A 37 -5.021 -16.490 -36.621 1.00 64.23 N ATOM 0 H ASN A 37 -5.813 -14.602 -39.031 1.00 14.32 H new ATOM 0 HA ASN A 37 -4.953 -17.333 -39.735 1.00 4.12 H new ATOM 0 HB2 ASN A 37 -7.206 -16.150 -38.085 1.00 22.42 H new ATOM 0 HB3 ASN A 37 -7.280 -17.806 -38.653 1.00 22.42 H new ATOM 0 HD21 ASN A 37 -4.421 -16.725 -35.830 1.00 64.23 H new ATOM 0 HD22 ASN A 37 -5.075 -15.527 -36.951 1.00 64.23 H new ATOM 574 N GLY A 38 -7.075 -15.488 -41.318 1.00 34.21 N ATOM 575 CA GLY A 38 -7.911 -15.414 -42.502 1.00 32.44 C ATOM 576 C GLY A 38 -9.209 -16.181 -42.343 1.00 73.32 C ATOM 577 O GLY A 38 -9.677 -16.826 -43.282 1.00 21.11 O ATOM 0 H GLY A 38 -6.865 -14.589 -40.885 1.00 34.21 H new ATOM 0 HA2 GLY A 38 -8.134 -14.370 -42.721 1.00 32.44 H new ATOM 0 HA3 GLY A 38 -7.361 -15.809 -43.357 1.00 32.44 H new ATOM 581 N LEU A 39 -9.792 -16.113 -41.151 1.00 30.05 N ATOM 582 CA LEU A 39 -11.044 -16.808 -40.871 1.00 63.52 C ATOM 583 C LEU A 39 -12.239 -15.881 -41.074 1.00 44.43 C ATOM 584 O LEU A 39 -12.110 -14.659 -40.990 1.00 45.03 O ATOM 585 CB LEU A 39 -11.041 -17.349 -39.441 1.00 73.54 C ATOM 586 CG LEU A 39 -10.054 -18.481 -39.154 1.00 71.34 C ATOM 587 CD1 LEU A 39 -9.963 -18.744 -37.659 1.00 33.32 C ATOM 588 CD2 LEU A 39 -10.461 -19.745 -39.896 1.00 1.14 C ATOM 0 H LEU A 39 -9.418 -15.584 -40.363 1.00 30.05 H new ATOM 0 HA LEU A 39 -11.132 -17.641 -41.568 1.00 63.52 H new ATOM 0 HB2 LEU A 39 -10.824 -16.524 -38.762 1.00 73.54 H new ATOM 0 HB3 LEU A 39 -12.045 -17.701 -39.205 1.00 73.54 H new ATOM 0 HG LEU A 39 -9.069 -18.177 -39.509 1.00 71.34 H new ATOM 0 HD11 LEU A 39 -9.256 -19.553 -37.474 1.00 33.32 H new ATOM 0 HD12 LEU A 39 -9.623 -17.842 -37.151 1.00 33.32 H new ATOM 0 HD13 LEU A 39 -10.945 -19.026 -37.279 1.00 33.32 H new ATOM 0 HD21 LEU A 39 -9.747 -20.540 -39.680 1.00 1.14 H new ATOM 0 HD22 LEU A 39 -11.455 -20.053 -39.572 1.00 1.14 H new ATOM 0 HD23 LEU A 39 -10.473 -19.550 -40.968 1.00 1.14 H new ATOM 600 N ASP A 40 -13.400 -16.470 -41.338 1.00 23.32 N ATOM 601 CA ASP A 40 -14.618 -15.697 -41.549 1.00 31.44 C ATOM 602 C ASP A 40 -15.565 -15.841 -40.362 1.00 11.13 C ATOM 603 O ASP A 40 -16.642 -16.424 -40.481 1.00 74.43 O ATOM 604 CB ASP A 40 -15.317 -16.147 -42.833 1.00 2.00 C ATOM 605 CG ASP A 40 -16.429 -15.204 -43.248 1.00 43.15 C ATOM 606 OD1 ASP A 40 -16.626 -14.179 -42.561 1.00 34.04 O ATOM 607 OD2 ASP A 40 -17.102 -15.489 -44.260 1.00 1.34 O1- ATOM 0 H ASP A 40 -13.523 -17.480 -41.411 1.00 23.32 H new ATOM 0 HA ASP A 40 -14.341 -14.647 -41.644 1.00 31.44 H new ATOM 0 HB2 ASP A 40 -14.584 -16.216 -43.637 1.00 2.00 H new ATOM 0 HB3 ASP A 40 -15.727 -17.147 -42.689 1.00 2.00 H new ATOM 612 N GLY A 41 -15.155 -15.306 -39.215 1.00 53.44 N ATOM 613 CA GLY A 41 -15.978 -15.388 -38.023 1.00 32.20 C ATOM 614 C GLY A 41 -16.764 -14.115 -37.773 1.00 70.31 C ATOM 615 O GLY A 41 -16.405 -13.049 -38.272 1.00 4.21 O ATOM 0 H GLY A 41 -14.268 -14.818 -39.091 1.00 53.44 H new ATOM 0 HA2 GLY A 41 -16.669 -16.225 -38.119 1.00 32.20 H new ATOM 0 HA3 GLY A 41 -15.344 -15.595 -37.161 1.00 32.20 H new ATOM 619 N GLU A 42 -17.839 -14.228 -36.999 1.00 72.22 N ATOM 620 CA GLU A 42 -18.678 -13.077 -36.686 1.00 62.11 C ATOM 621 C GLU A 42 -18.591 -12.727 -35.203 1.00 0.55 C ATOM 622 O GLU A 42 -18.827 -13.573 -34.341 1.00 35.52 O ATOM 623 CB GLU A 42 -20.132 -13.358 -37.071 1.00 52.01 C ATOM 624 CG GLU A 42 -20.349 -13.494 -38.569 1.00 63.13 C ATOM 625 CD GLU A 42 -21.813 -13.643 -38.934 1.00 44.24 C ATOM 626 OE1 GLU A 42 -22.465 -12.612 -39.203 1.00 70.21 O ATOM 627 OE2 GLU A 42 -22.307 -14.790 -38.951 1.00 43.43 O1- ATOM 0 H GLU A 42 -18.149 -15.104 -36.578 1.00 72.22 H new ATOM 0 HA GLU A 42 -18.315 -12.227 -37.264 1.00 62.11 H new ATOM 0 HB2 GLU A 42 -20.458 -14.275 -36.580 1.00 52.01 H new ATOM 0 HB3 GLU A 42 -20.761 -12.553 -36.693 1.00 52.01 H new ATOM 0 HG2 GLU A 42 -19.940 -12.618 -39.073 1.00 63.13 H new ATOM 0 HG3 GLU A 42 -19.797 -14.359 -38.935 1.00 63.13 H new ATOM 634 N TRP A 43 -18.251 -11.476 -34.916 1.00 51.13 N ATOM 635 CA TRP A 43 -18.132 -11.014 -33.537 1.00 55.51 C ATOM 636 C TRP A 43 -19.430 -10.369 -33.066 1.00 4.43 C ATOM 637 O TRP A 43 -20.157 -9.764 -33.855 1.00 30.20 O ATOM 638 CB TRP A 43 -16.977 -10.019 -33.409 1.00 40.54 C ATOM 639 CG TRP A 43 -15.687 -10.658 -32.991 1.00 12.12 C ATOM 640 CD1 TRP A 43 -15.075 -10.551 -31.775 1.00 3.53 C ATOM 641 CD2 TRP A 43 -14.850 -11.500 -33.791 1.00 33.33 C ATOM 642 NE1 TRP A 43 -13.908 -11.276 -31.770 1.00 21.33 N ATOM 643 CE2 TRP A 43 -13.747 -11.868 -32.995 1.00 10.54 C ATOM 644 CE3 TRP A 43 -14.924 -11.980 -35.101 1.00 60.40 C ATOM 645 CZ2 TRP A 43 -12.730 -12.692 -33.468 1.00 72.42 C ATOM 646 CZ3 TRP A 43 -13.914 -12.798 -35.570 1.00 54.24 C ATOM 647 CH2 TRP A 43 -12.829 -13.148 -34.755 1.00 0.13 C ATOM 0 H TRP A 43 -18.053 -10.763 -35.618 1.00 51.13 H new ATOM 0 HA TRP A 43 -17.928 -11.879 -32.906 1.00 55.51 H new ATOM 0 HB2 TRP A 43 -16.832 -9.516 -34.365 1.00 40.54 H new ATOM 0 HB3 TRP A 43 -17.246 -9.252 -32.683 1.00 40.54 H new ATOM 0 HD1 TRP A 43 -15.453 -9.980 -30.940 1.00 3.53 H new ATOM 0 HE1 TRP A 43 -13.266 -11.360 -30.982 1.00 21.33 H new ATOM 0 HE3 TRP A 43 -15.757 -11.716 -35.736 1.00 60.40 H new ATOM 0 HZ2 TRP A 43 -11.892 -12.962 -32.842 1.00 72.42 H new ATOM 0 HZ3 TRP A 43 -13.961 -13.174 -36.581 1.00 54.24 H new ATOM 0 HH2 TRP A 43 -12.056 -13.790 -35.150 1.00 0.13 H new ATOM 658 N THR A 44 -19.717 -10.500 -31.774 1.00 11.45 N ATOM 659 CA THR A 44 -20.929 -9.930 -31.198 1.00 25.43 C ATOM 660 C THR A 44 -20.675 -9.409 -29.789 1.00 41.45 C ATOM 661 O THR A 44 -20.117 -10.113 -28.947 1.00 0.05 O ATOM 662 CB THR A 44 -22.069 -10.965 -31.153 1.00 41.34 C ATOM 663 OG1 THR A 44 -21.547 -12.256 -30.823 1.00 73.22 O ATOM 664 CG2 THR A 44 -22.793 -11.031 -32.489 1.00 21.42 C ATOM 0 H THR A 44 -19.126 -10.996 -31.107 1.00 11.45 H new ATOM 0 HA THR A 44 -21.226 -9.101 -31.841 1.00 25.43 H new ATOM 0 HB THR A 44 -22.780 -10.656 -30.387 1.00 41.34 H new ATOM 0 HG1 THR A 44 -20.634 -12.162 -30.480 1.00 73.22 H new ATOM 0 HG21 THR A 44 -23.594 -11.769 -32.433 1.00 21.42 H new ATOM 0 HG22 THR A 44 -23.216 -10.054 -32.723 1.00 21.42 H new ATOM 0 HG23 THR A 44 -22.089 -11.318 -33.270 1.00 21.42 H new ATOM 672 N TYR A 45 -21.087 -8.171 -29.538 1.00 33.31 N ATOM 673 CA TYR A 45 -20.902 -7.555 -28.230 1.00 15.32 C ATOM 674 C TYR A 45 -22.042 -7.926 -27.286 1.00 4.44 C ATOM 675 O TYR A 45 -23.179 -7.487 -27.464 1.00 1.35 O ATOM 676 CB TYR A 45 -20.815 -6.034 -28.367 1.00 33.44 C ATOM 677 CG TYR A 45 -19.672 -5.569 -29.241 1.00 21.31 C ATOM 678 CD1 TYR A 45 -18.508 -5.057 -28.681 1.00 21.15 C ATOM 679 CD2 TYR A 45 -19.755 -5.642 -30.626 1.00 22.51 C ATOM 680 CE1 TYR A 45 -17.460 -4.631 -29.475 1.00 30.52 C ATOM 681 CE2 TYR A 45 -18.713 -5.219 -31.427 1.00 23.44 C ATOM 682 CZ TYR A 45 -17.568 -4.715 -30.847 1.00 60.14 C ATOM 683 OH TYR A 45 -16.527 -4.291 -31.643 1.00 31.25 O ATOM 0 H TYR A 45 -21.551 -7.575 -30.223 1.00 33.31 H new ATOM 0 HA TYR A 45 -19.969 -7.930 -27.809 1.00 15.32 H new ATOM 0 HB2 TYR A 45 -21.752 -5.661 -28.780 1.00 33.44 H new ATOM 0 HB3 TYR A 45 -20.706 -5.594 -27.376 1.00 33.44 H new ATOM 0 HD1 TYR A 45 -18.421 -4.991 -27.607 1.00 21.15 H new ATOM 0 HD2 TYR A 45 -20.650 -6.036 -31.084 1.00 22.51 H new ATOM 0 HE1 TYR A 45 -16.562 -4.235 -29.024 1.00 30.52 H new ATOM 0 HE2 TYR A 45 -18.794 -5.283 -32.502 1.00 23.44 H new ATOM 0 HH TYR A 45 -16.763 -4.419 -32.586 1.00 31.25 H new ATOM 693 N ASP A 46 -21.729 -8.738 -26.282 1.00 20.13 N ATOM 694 CA ASP A 46 -22.725 -9.169 -25.308 1.00 54.12 C ATOM 695 C ASP A 46 -22.675 -8.297 -24.058 1.00 74.42 C ATOM 696 O ASP A 46 -22.150 -8.708 -23.023 1.00 23.32 O ATOM 697 CB ASP A 46 -22.502 -10.635 -24.933 1.00 21.25 C ATOM 698 CG ASP A 46 -22.186 -11.499 -26.137 1.00 71.31 C ATOM 699 OD1 ASP A 46 -23.058 -12.297 -26.541 1.00 23.42 O ATOM 700 OD2 ASP A 46 -21.066 -11.378 -26.677 1.00 42.04 O1- ATOM 0 H ASP A 46 -20.793 -9.111 -26.121 1.00 20.13 H new ATOM 0 HA ASP A 46 -23.710 -9.065 -25.762 1.00 54.12 H new ATOM 0 HB2 ASP A 46 -21.684 -10.703 -24.216 1.00 21.25 H new ATOM 0 HB3 ASP A 46 -23.393 -11.020 -24.437 1.00 21.25 H new ATOM 705 N ASP A 47 -23.224 -7.092 -24.161 1.00 54.10 N ATOM 706 CA ASP A 47 -23.242 -6.161 -23.038 1.00 22.40 C ATOM 707 C ASP A 47 -23.926 -6.785 -21.826 1.00 60.53 C ATOM 708 O ASP A 47 -23.673 -6.393 -20.688 1.00 15.12 O ATOM 709 CB ASP A 47 -23.955 -4.867 -23.432 1.00 42.04 C ATOM 710 CG ASP A 47 -23.483 -3.676 -22.622 1.00 23.55 C ATOM 711 OD1 ASP A 47 -22.281 -3.626 -22.285 1.00 10.12 O ATOM 712 OD2 ASP A 47 -24.314 -2.792 -22.327 1.00 52.51 O1- ATOM 0 H ASP A 47 -23.663 -6.736 -25.010 1.00 54.10 H new ATOM 0 HA ASP A 47 -22.210 -5.931 -22.772 1.00 22.40 H new ATOM 0 HB2 ASP A 47 -23.788 -4.672 -24.491 1.00 42.04 H new ATOM 0 HB3 ASP A 47 -25.029 -4.992 -23.297 1.00 42.04 H new ATOM 717 N ALA A 48 -24.796 -7.758 -22.079 1.00 73.25 N ATOM 718 CA ALA A 48 -25.516 -8.437 -21.009 1.00 64.12 C ATOM 719 C ALA A 48 -24.557 -8.938 -19.935 1.00 44.51 C ATOM 720 O ALA A 48 -24.876 -8.921 -18.745 1.00 30.41 O ATOM 721 CB ALA A 48 -26.332 -9.591 -21.572 1.00 73.11 C ATOM 0 H ALA A 48 -25.019 -8.093 -23.016 1.00 73.25 H new ATOM 0 HA ALA A 48 -26.194 -7.719 -20.547 1.00 64.12 H new ATOM 0 HB1 ALA A 48 -26.865 -10.089 -20.762 1.00 73.11 H new ATOM 0 HB2 ALA A 48 -27.050 -9.209 -22.297 1.00 73.11 H new ATOM 0 HB3 ALA A 48 -25.667 -10.303 -22.061 1.00 73.11 H new ATOM 727 N THR A 49 -23.381 -9.387 -20.361 1.00 51.14 N ATOM 728 CA THR A 49 -22.376 -9.896 -19.435 1.00 43.22 C ATOM 729 C THR A 49 -21.007 -9.289 -19.721 1.00 20.11 C ATOM 730 O THR A 49 -19.982 -9.805 -19.275 1.00 63.41 O ATOM 731 CB THR A 49 -22.271 -11.431 -19.509 1.00 2.41 C ATOM 732 OG1 THR A 49 -21.799 -11.828 -20.801 1.00 44.13 O ATOM 733 CG2 THR A 49 -23.619 -12.080 -19.234 1.00 1.21 C ATOM 0 H THR A 49 -23.101 -9.409 -21.341 1.00 51.14 H new ATOM 0 HA THR A 49 -22.695 -9.609 -18.433 1.00 43.22 H new ATOM 0 HB THR A 49 -21.565 -11.762 -18.747 1.00 2.41 H new ATOM 0 HG1 THR A 49 -21.733 -12.805 -20.839 1.00 44.13 H new ATOM 0 HG21 THR A 49 -23.520 -13.164 -19.292 1.00 1.21 H new ATOM 0 HG22 THR A 49 -23.961 -11.800 -18.238 1.00 1.21 H new ATOM 0 HG23 THR A 49 -24.343 -11.742 -19.975 1.00 1.21 H new ATOM 741 N LYS A 50 -20.997 -8.191 -20.468 1.00 43.34 N ATOM 742 CA LYS A 50 -19.754 -7.511 -20.813 1.00 34.34 C ATOM 743 C LYS A 50 -18.746 -8.490 -21.407 1.00 15.35 C ATOM 744 O LYS A 50 -17.581 -8.517 -21.009 1.00 61.42 O ATOM 745 CB LYS A 50 -19.157 -6.836 -19.576 1.00 73.32 C ATOM 746 CG LYS A 50 -19.912 -5.593 -19.138 1.00 51.01 C ATOM 747 CD LYS A 50 -21.018 -5.931 -18.153 1.00 73.55 C ATOM 748 CE LYS A 50 -20.459 -6.245 -16.774 1.00 40.03 C ATOM 749 NZ LYS A 50 -21.531 -6.304 -15.741 1.00 63.54 N1+ ATOM 0 H LYS A 50 -21.836 -7.752 -20.847 1.00 43.34 H new ATOM 0 HA LYS A 50 -19.980 -6.751 -21.560 1.00 34.34 H new ATOM 0 HB2 LYS A 50 -19.143 -7.551 -18.753 1.00 73.32 H new ATOM 0 HB3 LYS A 50 -18.121 -6.568 -19.783 1.00 73.32 H new ATOM 0 HG2 LYS A 50 -19.219 -4.888 -18.680 1.00 51.01 H new ATOM 0 HG3 LYS A 50 -20.339 -5.099 -20.011 1.00 51.01 H new ATOM 0 HD2 LYS A 50 -21.713 -5.094 -18.083 1.00 73.55 H new ATOM 0 HD3 LYS A 50 -21.585 -6.786 -18.520 1.00 73.55 H new ATOM 0 HE2 LYS A 50 -19.931 -7.198 -16.805 1.00 40.03 H new ATOM 0 HE3 LYS A 50 -19.729 -5.485 -16.496 1.00 40.03 H new ATOM 0 HZ1 LYS A 50 -21.109 -6.520 -14.815 1.00 63.54 H new ATOM 0 HZ2 LYS A 50 -22.018 -5.386 -15.694 1.00 63.54 H new ATOM 0 HZ3 LYS A 50 -22.215 -7.047 -15.992 1.00 63.54 H new ATOM 763 N THR A 51 -19.200 -9.293 -22.364 1.00 24.34 N ATOM 764 CA THR A 51 -18.338 -10.273 -23.013 1.00 44.02 C ATOM 765 C THR A 51 -18.538 -10.266 -24.525 1.00 73.53 C ATOM 766 O THR A 51 -19.632 -9.985 -25.015 1.00 14.21 O ATOM 767 CB THR A 51 -18.601 -11.693 -22.479 1.00 41.02 C ATOM 768 OG1 THR A 51 -18.519 -11.702 -21.049 1.00 32.22 O ATOM 769 CG2 THR A 51 -17.599 -12.682 -23.055 1.00 71.14 C ATOM 0 H THR A 51 -20.161 -9.284 -22.707 1.00 24.34 H new ATOM 0 HA THR A 51 -17.310 -9.991 -22.784 1.00 44.02 H new ATOM 0 HB THR A 51 -19.603 -11.993 -22.787 1.00 41.02 H new ATOM 0 HG1 THR A 51 -19.198 -11.101 -20.679 1.00 32.22 H new ATOM 0 HG21 THR A 51 -17.805 -13.678 -22.663 1.00 71.14 H new ATOM 0 HG22 THR A 51 -17.684 -12.695 -24.142 1.00 71.14 H new ATOM 0 HG23 THR A 51 -16.589 -12.383 -22.773 1.00 71.14 H new ATOM 777 N PHE A 52 -17.476 -10.577 -25.259 1.00 5.23 N ATOM 778 CA PHE A 52 -17.535 -10.606 -26.716 1.00 4.32 C ATOM 779 C PHE A 52 -17.639 -12.040 -27.227 1.00 0.13 C ATOM 780 O PHE A 52 -16.711 -12.835 -27.074 1.00 73.45 O ATOM 781 CB PHE A 52 -16.299 -9.928 -27.311 1.00 11.55 C ATOM 782 CG PHE A 52 -15.970 -8.611 -26.670 1.00 52.41 C ATOM 783 CD1 PHE A 52 -16.938 -7.628 -26.539 1.00 44.43 C ATOM 784 CD2 PHE A 52 -14.693 -8.354 -26.198 1.00 61.32 C ATOM 785 CE1 PHE A 52 -16.639 -6.414 -25.948 1.00 54.10 C ATOM 786 CE2 PHE A 52 -14.388 -7.143 -25.606 1.00 14.44 C ATOM 787 CZ PHE A 52 -15.362 -6.171 -25.483 1.00 65.43 C ATOM 0 H PHE A 52 -16.563 -10.813 -24.869 1.00 5.23 H new ATOM 0 HA PHE A 52 -18.426 -10.062 -27.030 1.00 4.32 H new ATOM 0 HB2 PHE A 52 -15.444 -10.596 -27.209 1.00 11.55 H new ATOM 0 HB3 PHE A 52 -16.458 -9.774 -28.378 1.00 11.55 H new ATOM 0 HD1 PHE A 52 -17.938 -7.812 -26.903 1.00 44.43 H new ATOM 0 HD2 PHE A 52 -13.927 -9.109 -26.294 1.00 61.32 H new ATOM 0 HE1 PHE A 52 -17.403 -5.657 -25.850 1.00 54.10 H new ATOM 0 HE2 PHE A 52 -13.389 -6.957 -25.240 1.00 14.44 H new ATOM 0 HZ PHE A 52 -15.125 -5.223 -25.024 1.00 65.43 H new ATOM 797 N THR A 53 -18.775 -12.364 -27.836 1.00 65.24 N ATOM 798 CA THR A 53 -19.002 -13.701 -28.369 1.00 62.11 C ATOM 799 C THR A 53 -18.638 -13.773 -29.848 1.00 71.13 C ATOM 800 O THR A 53 -19.007 -12.899 -30.632 1.00 25.23 O ATOM 801 CB THR A 53 -20.470 -14.135 -28.192 1.00 22.10 C ATOM 802 OG1 THR A 53 -20.818 -14.127 -26.803 1.00 4.10 O ATOM 803 CG2 THR A 53 -20.697 -15.523 -28.770 1.00 73.15 C ATOM 0 H THR A 53 -19.553 -11.718 -27.972 1.00 65.24 H new ATOM 0 HA THR A 53 -18.360 -14.378 -27.806 1.00 62.11 H new ATOM 0 HB THR A 53 -21.103 -13.428 -28.729 1.00 22.10 H new ATOM 0 HG1 THR A 53 -21.784 -14.261 -26.707 1.00 4.10 H new ATOM 0 HG21 THR A 53 -21.740 -15.808 -28.633 1.00 73.15 H new ATOM 0 HG22 THR A 53 -20.459 -15.518 -29.834 1.00 73.15 H new ATOM 0 HG23 THR A 53 -20.055 -16.240 -28.258 1.00 73.15 H new ATOM 811 N VAL A 54 -17.912 -14.821 -30.223 1.00 32.13 N ATOM 812 CA VAL A 54 -17.499 -15.008 -31.609 1.00 13.12 C ATOM 813 C VAL A 54 -18.136 -16.256 -32.209 1.00 43.23 C ATOM 814 O VAL A 54 -17.706 -17.378 -31.939 1.00 33.41 O ATOM 815 CB VAL A 54 -15.967 -15.120 -31.728 1.00 22.02 C ATOM 816 CG1 VAL A 54 -15.548 -15.175 -33.189 1.00 5.33 C ATOM 817 CG2 VAL A 54 -15.292 -13.958 -31.015 1.00 23.13 C ATOM 0 H VAL A 54 -17.598 -15.554 -29.587 1.00 32.13 H new ATOM 0 HA VAL A 54 -17.836 -14.130 -32.160 1.00 13.12 H new ATOM 0 HB VAL A 54 -15.649 -16.046 -31.248 1.00 22.02 H new ATOM 0 HG11 VAL A 54 -14.463 -15.254 -33.254 1.00 5.33 H new ATOM 0 HG12 VAL A 54 -16.004 -16.043 -33.666 1.00 5.33 H new ATOM 0 HG13 VAL A 54 -15.877 -14.268 -33.696 1.00 5.33 H new ATOM 0 HG21 VAL A 54 -14.210 -14.053 -31.109 1.00 23.13 H new ATOM 0 HG22 VAL A 54 -15.614 -13.019 -31.464 1.00 23.13 H new ATOM 0 HG23 VAL A 54 -15.567 -13.969 -29.960 1.00 23.13 H new ATOM 827 N THR A 55 -19.166 -16.055 -33.026 1.00 72.51 N ATOM 828 CA THR A 55 -19.864 -17.163 -33.664 1.00 13.41 C ATOM 829 C THR A 55 -19.490 -17.273 -35.138 1.00 72.34 C ATOM 830 O THR A 55 -19.966 -16.498 -35.967 1.00 31.15 O ATOM 831 CB THR A 55 -21.392 -17.009 -33.544 1.00 42.42 C ATOM 832 OG1 THR A 55 -21.733 -16.507 -32.246 1.00 62.32 O ATOM 833 CG2 THR A 55 -22.090 -18.339 -33.779 1.00 41.24 C ATOM 0 H THR A 55 -19.535 -15.134 -33.261 1.00 72.51 H new ATOM 0 HA THR A 55 -19.556 -18.071 -33.145 1.00 13.41 H new ATOM 0 HB THR A 55 -21.725 -16.303 -34.305 1.00 42.42 H new ATOM 0 HG1 THR A 55 -22.706 -16.410 -32.178 1.00 62.32 H new ATOM 0 HG21 THR A 55 -23.168 -18.205 -33.689 1.00 41.24 H new ATOM 0 HG22 THR A 55 -21.852 -18.703 -34.778 1.00 41.24 H new ATOM 0 HG23 THR A 55 -21.751 -19.063 -33.038 1.00 41.24 H new ATOM 841 N GLU A 56 -18.636 -18.241 -35.456 1.00 35.15 N ATOM 842 CA GLU A 56 -18.199 -18.451 -36.831 1.00 50.02 C ATOM 843 C GLU A 56 -19.289 -19.137 -37.650 1.00 33.31 C ATOM 844 O GLU A 56 -19.600 -18.715 -38.763 1.00 34.50 O ATOM 845 CB GLU A 56 -16.919 -19.289 -36.861 1.00 71.10 C ATOM 846 CG GLU A 56 -17.029 -20.595 -36.092 1.00 33.33 C ATOM 847 CD GLU A 56 -15.949 -21.589 -36.472 1.00 43.00 C ATOM 848 OE1 GLU A 56 -14.777 -21.359 -36.107 1.00 54.40 O ATOM 849 OE2 GLU A 56 -16.275 -22.596 -37.134 1.00 45.43 O1- ATOM 0 H GLU A 56 -18.234 -18.891 -34.781 1.00 35.15 H new ATOM 0 HA GLU A 56 -17.996 -17.476 -37.273 1.00 50.02 H new ATOM 0 HB2 GLU A 56 -16.662 -19.508 -37.897 1.00 71.10 H new ATOM 0 HB3 GLU A 56 -16.100 -18.701 -36.447 1.00 71.10 H new ATOM 0 HG2 GLU A 56 -16.968 -20.389 -35.023 1.00 33.33 H new ATOM 0 HG3 GLU A 56 -18.007 -21.039 -36.276 1.00 33.33 H new TER 856 GLU A 56