USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 421 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 1.1 (180deg=1.06) 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= -0.276 K(o=-0.28,f=-3.4!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0911 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -130:sc= -0.157 USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= -0.0269 (180deg=-0.252) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0707 X(o=-0.071,f=-0.072) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 37 ASN : amide:sc= 0.675 K(o=0.67,f=-0.0039) USER MOD Single : A 44 THR OG1 : rot 78:sc= 0.218 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -109:sc= 0.42 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.766 -8.316 8.042 1.00 2.03 N ATOM 2 CA MET A 1 18.779 -9.310 8.374 1.00 34.23 C ATOM 3 C MET A 1 18.380 -10.687 7.853 1.00 73.15 C ATOM 4 O MET A 1 17.258 -11.144 8.071 1.00 63.51 O ATOM 5 CB MET A 1 18.990 -9.367 9.889 1.00 42.53 C ATOM 6 CG MET A 1 19.745 -8.169 10.442 1.00 45.15 C ATOM 7 SD MET A 1 19.632 -8.046 12.238 1.00 3.33 S ATOM 8 CE MET A 1 19.945 -6.299 12.478 1.00 73.52 C ATOM 0 H1 MET A 1 18.124 -7.366 8.269 1.00 2.03 H new ATOM 0 H2 MET A 1 17.546 -8.370 7.027 1.00 2.03 H new ATOM 0 H3 MET A 1 16.904 -8.501 8.593 1.00 2.03 H new ATOM 0 HA MET A 1 19.713 -9.016 7.895 1.00 34.23 H new ATOM 0 HB2 MET A 1 18.019 -9.433 10.381 1.00 42.53 H new ATOM 0 HB3 MET A 1 19.536 -10.277 10.138 1.00 42.53 H new ATOM 0 HG2 MET A 1 20.793 -8.239 10.152 1.00 45.15 H new ATOM 0 HG3 MET A 1 19.351 -7.257 9.994 1.00 45.15 H new ATOM 0 HE1 MET A 1 19.908 -6.066 13.542 1.00 73.52 H new ATOM 0 HE2 MET A 1 20.930 -6.049 12.085 1.00 73.52 H new ATOM 0 HE3 MET A 1 19.187 -5.718 11.953 1.00 73.52 H new ATOM 18 N THR A 2 19.307 -11.346 7.162 1.00 32.33 N ATOM 19 CA THR A 2 19.052 -12.669 6.609 1.00 25.25 C ATOM 20 C THR A 2 19.180 -13.747 7.680 1.00 52.42 C ATOM 21 O THR A 2 20.170 -13.796 8.408 1.00 3.11 O ATOM 22 CB THR A 2 20.018 -12.991 5.454 1.00 23.24 C ATOM 23 OG1 THR A 2 20.089 -11.883 4.550 1.00 35.55 O ATOM 24 CG2 THR A 2 19.571 -14.237 4.705 1.00 50.33 C ATOM 0 H THR A 2 20.241 -10.983 6.973 1.00 32.33 H new ATOM 0 HA THR A 2 18.031 -12.660 6.227 1.00 25.25 H new ATOM 0 HB THR A 2 21.005 -13.176 5.877 1.00 23.24 H new ATOM 0 HG1 THR A 2 20.707 -12.096 3.820 1.00 35.55 H new ATOM 0 HG21 THR A 2 20.269 -14.444 3.894 1.00 50.33 H new ATOM 0 HG22 THR A 2 19.549 -15.085 5.390 1.00 50.33 H new ATOM 0 HG23 THR A 2 18.574 -14.076 4.294 1.00 50.33 H new ATOM 32 N PHE A 3 18.172 -14.607 7.770 1.00 23.24 N ATOM 33 CA PHE A 3 18.170 -15.684 8.753 1.00 31.32 C ATOM 34 C PHE A 3 18.043 -17.043 8.069 1.00 32.01 C ATOM 35 O PHE A 3 17.465 -17.156 6.988 1.00 41.12 O ATOM 36 CB PHE A 3 17.028 -15.492 9.752 1.00 42.31 C ATOM 37 CG PHE A 3 17.428 -14.723 10.978 1.00 33.03 C ATOM 38 CD1 PHE A 3 18.082 -15.354 12.024 1.00 42.10 C ATOM 39 CD2 PHE A 3 17.148 -13.370 11.085 1.00 33.44 C ATOM 40 CE1 PHE A 3 18.451 -14.648 13.155 1.00 51.32 C ATOM 41 CE2 PHE A 3 17.515 -12.661 12.213 1.00 24.41 C ATOM 42 CZ PHE A 3 18.165 -13.300 13.250 1.00 72.31 C ATOM 0 H PHE A 3 17.345 -14.579 7.174 1.00 23.24 H new ATOM 0 HA PHE A 3 19.118 -15.654 9.290 1.00 31.32 H new ATOM 0 HB2 PHE A 3 16.207 -14.972 9.258 1.00 42.31 H new ATOM 0 HB3 PHE A 3 16.651 -16.469 10.053 1.00 42.31 H new ATOM 0 HD1 PHE A 3 18.306 -16.408 11.956 1.00 42.10 H new ATOM 0 HD2 PHE A 3 16.638 -12.864 10.279 1.00 33.44 H new ATOM 0 HE1 PHE A 3 18.962 -15.150 13.963 1.00 51.32 H new ATOM 0 HE2 PHE A 3 17.293 -11.606 12.283 1.00 24.41 H new ATOM 0 HZ PHE A 3 18.449 -12.747 14.133 1.00 72.31 H new ATOM 52 N LYS A 4 18.584 -18.074 8.709 1.00 30.13 N ATOM 53 CA LYS A 4 18.531 -19.426 8.167 1.00 25.34 C ATOM 54 C LYS A 4 17.782 -20.362 9.110 1.00 70.05 C ATOM 55 O LYS A 4 17.799 -20.177 10.328 1.00 25.23 O ATOM 56 CB LYS A 4 19.945 -19.956 7.921 1.00 2.25 C ATOM 57 CG LYS A 4 20.036 -20.937 6.765 1.00 51.01 C ATOM 58 CD LYS A 4 21.365 -21.673 6.761 1.00 12.30 C ATOM 59 CE LYS A 4 22.319 -21.095 5.727 1.00 32.32 C ATOM 60 NZ LYS A 4 23.713 -21.578 5.928 1.00 32.44 N1+ ATOM 0 H LYS A 4 19.065 -17.998 9.605 1.00 30.13 H new ATOM 0 HA LYS A 4 17.994 -19.389 7.219 1.00 25.34 H new ATOM 0 HB2 LYS A 4 20.610 -19.115 7.725 1.00 2.25 H new ATOM 0 HB3 LYS A 4 20.304 -20.442 8.828 1.00 2.25 H new ATOM 0 HG2 LYS A 4 19.221 -21.657 6.833 1.00 51.01 H new ATOM 0 HG3 LYS A 4 19.912 -20.403 5.823 1.00 51.01 H new ATOM 0 HD2 LYS A 4 21.819 -21.612 7.750 1.00 12.30 H new ATOM 0 HD3 LYS A 4 21.196 -22.729 6.552 1.00 12.30 H new ATOM 0 HE2 LYS A 4 21.980 -21.368 4.728 1.00 32.32 H new ATOM 0 HE3 LYS A 4 22.300 -20.007 5.784 1.00 32.32 H new ATOM 0 HZ1 LYS A 4 24.332 -21.162 5.204 1.00 32.44 H new ATOM 0 HZ2 LYS A 4 24.046 -21.295 6.872 1.00 32.44 H new ATOM 0 HZ3 LYS A 4 23.736 -22.615 5.849 1.00 32.44 H new ATOM 74 N LEU A 5 17.127 -21.368 8.542 1.00 33.01 N ATOM 75 CA LEU A 5 16.373 -22.335 9.333 1.00 5.52 C ATOM 76 C LEU A 5 16.939 -23.740 9.159 1.00 63.41 C ATOM 77 O LEU A 5 17.243 -24.164 8.045 1.00 54.40 O ATOM 78 CB LEU A 5 14.897 -22.313 8.930 1.00 41.31 C ATOM 79 CG LEU A 5 13.976 -23.252 9.709 1.00 72.33 C ATOM 80 CD1 LEU A 5 14.114 -23.017 11.205 1.00 41.24 C ATOM 81 CD2 LEU A 5 12.529 -23.065 9.269 1.00 71.45 C ATOM 0 H LEU A 5 17.102 -21.536 7.536 1.00 33.01 H new ATOM 0 HA LEU A 5 16.461 -22.056 10.383 1.00 5.52 H new ATOM 0 HB2 LEU A 5 14.525 -21.295 9.043 1.00 41.31 H new ATOM 0 HB3 LEU A 5 14.826 -22.562 7.871 1.00 41.31 H new ATOM 0 HG LEU A 5 14.271 -24.279 9.495 1.00 72.33 H new ATOM 0 HD11 LEU A 5 13.451 -23.695 11.742 1.00 41.24 H new ATOM 0 HD12 LEU A 5 15.145 -23.201 11.509 1.00 41.24 H new ATOM 0 HD13 LEU A 5 13.846 -21.986 11.438 1.00 41.24 H new ATOM 0 HD21 LEU A 5 11.887 -23.741 9.833 1.00 71.45 H new ATOM 0 HD22 LEU A 5 12.223 -22.035 9.453 1.00 71.45 H new ATOM 0 HD23 LEU A 5 12.441 -23.285 8.205 1.00 71.45 H new ATOM 93 N ILE A 6 17.076 -24.457 10.269 1.00 4.33 N ATOM 94 CA ILE A 6 17.603 -25.816 10.239 1.00 33.32 C ATOM 95 C ILE A 6 16.602 -26.807 10.824 1.00 45.43 C ATOM 96 O ILE A 6 16.420 -26.877 12.040 1.00 53.14 O ATOM 97 CB ILE A 6 18.929 -25.924 11.016 1.00 13.12 C ATOM 98 CG1 ILE A 6 20.054 -25.229 10.248 1.00 20.14 C ATOM 99 CG2 ILE A 6 19.275 -27.383 11.273 1.00 23.52 C ATOM 100 CD1 ILE A 6 20.397 -25.904 8.938 1.00 64.22 C ATOM 0 H ILE A 6 16.830 -24.120 11.200 1.00 4.33 H new ATOM 0 HA ILE A 6 17.784 -26.061 9.192 1.00 33.32 H new ATOM 0 HB ILE A 6 18.811 -25.425 11.978 1.00 13.12 H new ATOM 0 HG12 ILE A 6 19.765 -24.197 10.051 1.00 20.14 H new ATOM 0 HG13 ILE A 6 20.945 -25.196 10.875 1.00 20.14 H new ATOM 0 HG21 ILE A 6 20.214 -27.443 11.823 1.00 23.52 H new ATOM 0 HG22 ILE A 6 18.482 -27.847 11.859 1.00 23.52 H new ATOM 0 HG23 ILE A 6 19.377 -27.906 10.322 1.00 23.52 H new ATOM 0 HD11 ILE A 6 21.202 -25.358 8.447 1.00 64.22 H new ATOM 0 HD12 ILE A 6 20.717 -26.928 9.129 1.00 64.22 H new ATOM 0 HD13 ILE A 6 19.519 -25.913 8.292 1.00 64.22 H new ATOM 112 N ILE A 7 15.957 -27.573 9.950 1.00 20.51 N ATOM 113 CA ILE A 7 14.977 -28.562 10.380 1.00 51.32 C ATOM 114 C ILE A 7 15.590 -29.956 10.435 1.00 24.33 C ATOM 115 O ILE A 7 15.563 -30.696 9.451 1.00 22.23 O ATOM 116 CB ILE A 7 13.754 -28.587 9.443 1.00 15.41 C ATOM 117 CG1 ILE A 7 13.205 -27.172 9.247 1.00 1.21 C ATOM 118 CG2 ILE A 7 12.678 -29.506 10.000 1.00 72.24 C ATOM 119 CD1 ILE A 7 12.079 -27.095 8.240 1.00 50.13 C ATOM 0 H ILE A 7 16.096 -27.527 8.941 1.00 20.51 H new ATOM 0 HA ILE A 7 14.653 -28.271 11.379 1.00 51.32 H new ATOM 0 HB ILE A 7 14.067 -28.973 8.473 1.00 15.41 H new ATOM 0 HG12 ILE A 7 12.851 -26.792 10.205 1.00 1.21 H new ATOM 0 HG13 ILE A 7 14.015 -26.518 8.925 1.00 1.21 H new ATOM 0 HG21 ILE A 7 11.821 -29.513 9.327 1.00 72.24 H new ATOM 0 HG22 ILE A 7 13.075 -30.517 10.092 1.00 72.24 H new ATOM 0 HG23 ILE A 7 12.366 -29.148 10.981 1.00 72.24 H new ATOM 0 HD11 ILE A 7 11.739 -26.063 8.152 1.00 50.13 H new ATOM 0 HD12 ILE A 7 12.434 -27.444 7.270 1.00 50.13 H new ATOM 0 HD13 ILE A 7 11.251 -27.722 8.571 1.00 50.13 H new ATOM 131 N ASN A 8 16.141 -30.310 11.591 1.00 64.41 N ATOM 132 CA ASN A 8 16.761 -31.616 11.774 1.00 62.14 C ATOM 133 C ASN A 8 15.703 -32.713 11.864 1.00 34.41 C ATOM 134 O ASN A 8 15.374 -33.185 12.951 1.00 1.43 O ATOM 135 CB ASN A 8 17.624 -31.622 13.036 1.00 1.04 C ATOM 136 CG ASN A 8 18.537 -32.831 13.108 1.00 72.24 C ATOM 137 OD1 ASN A 8 18.269 -33.863 12.490 1.00 2.11 O ATOM 138 ND2 ASN A 8 19.623 -32.710 13.864 1.00 14.42 N ATOM 0 H ASN A 8 16.171 -29.710 12.415 1.00 64.41 H new ATOM 0 HA ASN A 8 17.393 -31.814 10.908 1.00 62.14 H new ATOM 0 HB2 ASN A 8 18.226 -30.714 13.065 1.00 1.04 H new ATOM 0 HB3 ASN A 8 16.978 -31.605 13.914 1.00 1.04 H new ATOM 0 HD21 ASN A 8 20.274 -33.490 13.950 1.00 14.42 H new ATOM 0 HD22 ASN A 8 19.806 -31.837 14.358 1.00 14.42 H new ATOM 145 N GLY A 9 15.173 -33.112 10.712 1.00 25.24 N ATOM 146 CA GLY A 9 14.158 -34.149 10.682 1.00 42.23 C ATOM 147 C GLY A 9 14.701 -35.477 10.192 1.00 54.12 C ATOM 148 O GLY A 9 15.097 -35.607 9.034 1.00 64.31 O ATOM 0 H GLY A 9 15.428 -32.736 9.799 1.00 25.24 H new ATOM 0 HA2 GLY A 9 13.743 -34.276 11.682 1.00 42.23 H new ATOM 0 HA3 GLY A 9 13.339 -33.834 10.035 1.00 42.23 H new ATOM 152 N LYS A 10 14.722 -36.468 11.077 1.00 20.14 N ATOM 153 CA LYS A 10 15.220 -37.794 10.730 1.00 61.12 C ATOM 154 C LYS A 10 14.417 -38.394 9.582 1.00 44.41 C ATOM 155 O LYS A 10 14.943 -39.165 8.777 1.00 51.54 O ATOM 156 CB LYS A 10 15.157 -38.720 11.949 1.00 74.11 C ATOM 157 CG LYS A 10 15.805 -38.134 13.192 1.00 52.15 C ATOM 158 CD LYS A 10 16.363 -39.220 14.095 1.00 52.11 C ATOM 159 CE LYS A 10 15.253 -39.986 14.797 1.00 33.45 C ATOM 160 NZ LYS A 10 15.784 -41.123 15.598 1.00 33.12 N1+ ATOM 0 H LYS A 10 14.400 -36.378 12.041 1.00 20.14 H new ATOM 0 HA LYS A 10 16.257 -37.693 10.410 1.00 61.12 H new ATOM 0 HB2 LYS A 10 14.114 -38.949 12.167 1.00 74.11 H new ATOM 0 HB3 LYS A 10 15.646 -39.663 11.704 1.00 74.11 H new ATOM 0 HG2 LYS A 10 16.606 -37.455 12.900 1.00 52.15 H new ATOM 0 HG3 LYS A 10 15.072 -37.544 13.742 1.00 52.15 H new ATOM 0 HD2 LYS A 10 16.966 -39.910 13.505 1.00 52.11 H new ATOM 0 HD3 LYS A 10 17.024 -38.773 14.838 1.00 52.11 H new ATOM 0 HE2 LYS A 10 14.701 -39.309 15.449 1.00 33.45 H new ATOM 0 HE3 LYS A 10 14.547 -40.362 14.057 1.00 33.45 H new ATOM 0 HZ1 LYS A 10 14.996 -41.620 16.061 1.00 33.12 H new ATOM 0 HZ2 LYS A 10 16.289 -41.782 14.972 1.00 33.12 H new ATOM 0 HZ3 LYS A 10 16.438 -40.762 16.321 1.00 33.12 H new ATOM 174 N THR A 11 13.139 -38.036 9.508 1.00 15.21 N ATOM 175 CA THR A 11 12.264 -38.539 8.457 1.00 62.22 C ATOM 176 C THR A 11 12.166 -37.548 7.302 1.00 61.24 C ATOM 177 O THR A 11 11.955 -37.938 6.152 1.00 32.30 O ATOM 178 CB THR A 11 10.848 -38.825 8.993 1.00 70.54 C ATOM 179 OG1 THR A 11 10.072 -39.497 7.995 1.00 73.10 O ATOM 180 CG2 THR A 11 10.153 -37.536 9.402 1.00 44.40 C ATOM 0 H THR A 11 12.687 -37.399 10.164 1.00 15.21 H new ATOM 0 HA THR A 11 12.704 -39.470 8.099 1.00 62.22 H new ATOM 0 HB THR A 11 10.939 -39.464 9.872 1.00 70.54 H new ATOM 0 HG1 THR A 11 9.174 -39.676 8.345 1.00 73.10 H new ATOM 0 HG21 THR A 11 9.155 -37.764 9.777 1.00 44.40 H new ATOM 0 HG22 THR A 11 10.731 -37.043 10.184 1.00 44.40 H new ATOM 0 HG23 THR A 11 10.074 -36.875 8.539 1.00 44.40 H new ATOM 188 N LEU A 12 12.319 -36.266 7.615 1.00 23.00 N ATOM 189 CA LEU A 12 12.249 -35.218 6.602 1.00 43.11 C ATOM 190 C LEU A 12 13.040 -33.988 7.036 1.00 4.35 C ATOM 191 O LEU A 12 12.621 -33.250 7.926 1.00 72.22 O ATOM 192 CB LEU A 12 10.792 -34.835 6.337 1.00 64.33 C ATOM 193 CG LEU A 12 10.496 -34.227 4.965 1.00 11.33 C ATOM 194 CD1 LEU A 12 9.018 -34.357 4.632 1.00 33.21 C ATOM 195 CD2 LEU A 12 10.928 -32.770 4.923 1.00 70.53 C ATOM 0 H LEU A 12 12.492 -35.927 8.561 1.00 23.00 H new ATOM 0 HA LEU A 12 12.689 -35.604 5.683 1.00 43.11 H new ATOM 0 HB2 LEU A 12 10.175 -35.726 6.458 1.00 64.33 H new ATOM 0 HB3 LEU A 12 10.479 -34.124 7.102 1.00 64.33 H new ATOM 0 HG LEU A 12 11.066 -34.775 4.215 1.00 11.33 H new ATOM 0 HD11 LEU A 12 8.826 -33.919 3.652 1.00 33.21 H new ATOM 0 HD12 LEU A 12 8.739 -35.411 4.619 1.00 33.21 H new ATOM 0 HD13 LEU A 12 8.428 -33.835 5.385 1.00 33.21 H new ATOM 0 HD21 LEU A 12 10.710 -32.354 3.939 1.00 70.53 H new ATOM 0 HD22 LEU A 12 10.386 -32.208 5.683 1.00 70.53 H new ATOM 0 HD23 LEU A 12 11.999 -32.702 5.116 1.00 70.53 H new ATOM 207 N LYS A 13 14.184 -33.773 6.397 1.00 21.15 N ATOM 208 CA LYS A 13 15.034 -32.630 6.713 1.00 13.53 C ATOM 209 C LYS A 13 14.870 -31.526 5.674 1.00 62.51 C ATOM 210 O LYS A 13 14.503 -31.788 4.529 1.00 23.21 O ATOM 211 CB LYS A 13 16.501 -33.064 6.785 1.00 14.43 C ATOM 212 CG LYS A 13 17.353 -32.179 7.680 1.00 1.44 C ATOM 213 CD LYS A 13 18.796 -32.137 7.211 1.00 42.34 C ATOM 214 CE LYS A 13 19.541 -33.409 7.585 1.00 71.21 C ATOM 215 NZ LYS A 13 20.671 -33.686 6.653 1.00 31.45 N1+ ATOM 0 H LYS A 13 14.545 -34.375 5.657 1.00 21.15 H new ATOM 0 HA LYS A 13 14.729 -32.239 7.684 1.00 13.53 H new ATOM 0 HB2 LYS A 13 16.550 -34.090 7.149 1.00 14.43 H new ATOM 0 HB3 LYS A 13 16.922 -33.062 5.779 1.00 14.43 H new ATOM 0 HG2 LYS A 13 16.943 -31.169 7.691 1.00 1.44 H new ATOM 0 HG3 LYS A 13 17.313 -32.550 8.704 1.00 1.44 H new ATOM 0 HD2 LYS A 13 18.824 -32.002 6.130 1.00 42.34 H new ATOM 0 HD3 LYS A 13 19.298 -31.277 7.653 1.00 42.34 H new ATOM 0 HE2 LYS A 13 19.923 -33.320 8.602 1.00 71.21 H new ATOM 0 HE3 LYS A 13 18.849 -34.251 7.577 1.00 71.21 H new ATOM 0 HZ1 LYS A 13 21.153 -34.561 6.942 1.00 31.45 H new ATOM 0 HZ2 LYS A 13 20.304 -33.796 5.686 1.00 31.45 H new ATOM 0 HZ3 LYS A 13 21.345 -32.894 6.680 1.00 31.45 H new ATOM 229 N GLY A 14 15.145 -30.290 6.081 1.00 64.41 N ATOM 230 CA GLY A 14 15.022 -29.165 5.172 1.00 2.42 C ATOM 231 C GLY A 14 15.493 -27.865 5.792 1.00 5.42 C ATOM 232 O GLY A 14 15.699 -27.787 7.003 1.00 43.14 O ATOM 0 H GLY A 14 15.451 -30.048 7.024 1.00 64.41 H new ATOM 0 HA2 GLY A 14 15.601 -29.365 4.271 1.00 2.42 H new ATOM 0 HA3 GLY A 14 13.981 -29.062 4.865 1.00 2.42 H new ATOM 236 N GLU A 15 15.665 -26.842 4.960 1.00 34.54 N ATOM 237 CA GLU A 15 16.117 -25.541 5.435 1.00 71.41 C ATOM 238 C GLU A 15 15.544 -24.418 4.573 1.00 64.34 C ATOM 239 O GLU A 15 15.182 -24.631 3.417 1.00 1.11 O ATOM 240 CB GLU A 15 17.645 -25.473 5.430 1.00 73.45 C ATOM 241 CG GLU A 15 18.261 -25.739 4.067 1.00 42.33 C ATOM 242 CD GLU A 15 19.777 -25.698 4.093 1.00 65.22 C ATOM 243 OE1 GLU A 15 20.405 -26.638 3.563 1.00 13.12 O ATOM 244 OE2 GLU A 15 20.334 -24.725 4.645 1.00 51.34 O1- ATOM 0 H GLU A 15 15.498 -26.890 3.955 1.00 34.54 H new ATOM 0 HA GLU A 15 15.759 -25.412 6.456 1.00 71.41 H new ATOM 0 HB2 GLU A 15 17.958 -24.487 5.775 1.00 73.45 H new ATOM 0 HB3 GLU A 15 18.035 -26.199 6.144 1.00 73.45 H new ATOM 0 HG2 GLU A 15 17.934 -26.715 3.709 1.00 42.33 H new ATOM 0 HG3 GLU A 15 17.894 -24.999 3.356 1.00 42.33 H new ATOM 251 N THR A 16 15.465 -23.221 5.147 1.00 30.23 N ATOM 252 CA THR A 16 14.936 -22.065 4.434 1.00 24.41 C ATOM 253 C THR A 16 15.373 -20.764 5.095 1.00 65.30 C ATOM 254 O THR A 16 15.689 -20.734 6.285 1.00 35.35 O ATOM 255 CB THR A 16 13.398 -22.102 4.368 1.00 23.35 C ATOM 256 OG1 THR A 16 12.906 -20.915 3.735 1.00 41.12 O ATOM 257 CG2 THR A 16 12.799 -22.226 5.761 1.00 10.41 C ATOM 0 H THR A 16 15.761 -23.027 6.104 1.00 30.23 H new ATOM 0 HA THR A 16 15.337 -22.107 3.422 1.00 24.41 H new ATOM 0 HB THR A 16 13.102 -22.974 3.784 1.00 23.35 H new ATOM 0 HG1 THR A 16 11.927 -20.947 3.695 1.00 41.12 H new ATOM 0 HG21 THR A 16 11.712 -22.250 5.689 1.00 10.41 H new ATOM 0 HG22 THR A 16 13.152 -23.145 6.228 1.00 10.41 H new ATOM 0 HG23 THR A 16 13.104 -21.372 6.365 1.00 10.41 H new ATOM 265 N THR A 17 15.391 -19.687 4.317 1.00 54.32 N ATOM 266 CA THR A 17 15.790 -18.381 4.827 1.00 12.31 C ATOM 267 C THR A 17 14.722 -17.330 4.544 1.00 23.20 C ATOM 268 O THR A 17 13.957 -17.447 3.586 1.00 35.13 O ATOM 269 CB THR A 17 17.124 -17.920 4.209 1.00 33.43 C ATOM 270 OG1 THR A 17 16.994 -17.818 2.786 1.00 1.33 O ATOM 271 CG2 THR A 17 18.244 -18.890 4.552 1.00 2.04 C ATOM 0 H THR A 17 15.134 -19.693 3.330 1.00 54.32 H new ATOM 0 HA THR A 17 15.915 -18.487 5.905 1.00 12.31 H new ATOM 0 HB THR A 17 17.372 -16.943 4.623 1.00 33.43 H new ATOM 0 HG1 THR A 17 17.845 -17.523 2.400 1.00 1.33 H new ATOM 0 HG21 THR A 17 19.175 -18.543 4.105 1.00 2.04 H new ATOM 0 HG22 THR A 17 18.360 -18.944 5.635 1.00 2.04 H new ATOM 0 HG23 THR A 17 18.001 -19.879 4.163 1.00 2.04 H new ATOM 279 N THR A 18 14.675 -16.300 5.383 1.00 1.12 N ATOM 280 CA THR A 18 13.700 -15.228 5.224 1.00 0.52 C ATOM 281 C THR A 18 14.243 -13.908 5.758 1.00 45.23 C ATOM 282 O THR A 18 14.850 -13.863 6.829 1.00 15.53 O ATOM 283 CB THR A 18 12.382 -15.558 5.948 1.00 64.43 C ATOM 284 OG1 THR A 18 11.510 -14.422 5.917 1.00 33.34 O ATOM 285 CG2 THR A 18 12.641 -15.965 7.391 1.00 40.51 C ATOM 0 H THR A 18 15.301 -16.186 6.180 1.00 1.12 H new ATOM 0 HA THR A 18 13.506 -15.132 4.156 1.00 0.52 H new ATOM 0 HB THR A 18 11.910 -16.394 5.432 1.00 64.43 H new ATOM 0 HG1 THR A 18 10.673 -14.640 6.378 1.00 33.34 H new ATOM 0 HG21 THR A 18 11.694 -16.193 7.880 1.00 40.51 H new ATOM 0 HG22 THR A 18 13.281 -16.847 7.411 1.00 40.51 H new ATOM 0 HG23 THR A 18 13.134 -15.147 7.917 1.00 40.51 H new ATOM 293 N GLU A 19 14.022 -12.835 5.006 1.00 35.24 N ATOM 294 CA GLU A 19 14.490 -11.513 5.406 1.00 14.34 C ATOM 295 C GLU A 19 13.533 -10.876 6.409 1.00 73.40 C ATOM 296 O GLU A 19 12.355 -10.670 6.115 1.00 13.11 O ATOM 297 CB GLU A 19 14.638 -10.608 4.181 1.00 73.50 C ATOM 298 CG GLU A 19 15.880 -10.901 3.355 1.00 40.15 C ATOM 299 CD GLU A 19 16.075 -9.908 2.225 1.00 11.31 C ATOM 300 OE1 GLU A 19 16.885 -8.971 2.394 1.00 30.40 O ATOM 301 OE2 GLU A 19 15.421 -10.067 1.174 1.00 34.34 O1- ATOM 0 H GLU A 19 13.522 -12.855 4.117 1.00 35.24 H new ATOM 0 HA GLU A 19 15.463 -11.630 5.883 1.00 14.34 H new ATOM 0 HB2 GLU A 19 13.757 -10.719 3.549 1.00 73.50 H new ATOM 0 HB3 GLU A 19 14.666 -9.569 4.509 1.00 73.50 H new ATOM 0 HG2 GLU A 19 16.756 -10.885 4.004 1.00 40.15 H new ATOM 0 HG3 GLU A 19 15.808 -11.907 2.942 1.00 40.15 H new ATOM 308 N ALA A 20 14.047 -10.568 7.595 1.00 74.44 N ATOM 309 CA ALA A 20 13.238 -9.954 8.642 1.00 23.12 C ATOM 310 C ALA A 20 13.976 -8.790 9.293 1.00 54.32 C ATOM 311 O ALA A 20 15.124 -8.498 8.952 1.00 42.41 O ATOM 312 CB ALA A 20 12.855 -10.989 9.688 1.00 33.00 C ATOM 0 H ALA A 20 15.019 -10.733 7.855 1.00 74.44 H new ATOM 0 HA ALA A 20 12.329 -9.564 8.183 1.00 23.12 H new ATOM 0 HB1 ALA A 20 12.252 -10.517 10.463 1.00 33.00 H new ATOM 0 HB2 ALA A 20 12.281 -11.787 9.217 1.00 33.00 H new ATOM 0 HB3 ALA A 20 13.758 -11.406 10.135 1.00 33.00 H new ATOM 318 N VAL A 21 13.311 -8.124 10.232 1.00 3.03 N ATOM 319 CA VAL A 21 13.905 -6.990 10.932 1.00 53.14 C ATOM 320 C VAL A 21 14.404 -7.397 12.315 1.00 3.01 C ATOM 321 O VAL A 21 15.312 -6.776 12.865 1.00 4.54 O ATOM 322 CB VAL A 21 12.898 -5.834 11.082 1.00 33.31 C ATOM 323 CG1 VAL A 21 12.590 -5.215 9.727 1.00 23.31 C ATOM 324 CG2 VAL A 21 11.626 -6.321 11.759 1.00 5.33 C ATOM 0 H VAL A 21 12.361 -8.350 10.526 1.00 3.03 H new ATOM 0 HA VAL A 21 14.748 -6.653 10.330 1.00 53.14 H new ATOM 0 HB VAL A 21 13.344 -5.064 11.712 1.00 33.31 H new ATOM 0 HG11 VAL A 21 11.877 -4.400 9.853 1.00 23.31 H new ATOM 0 HG12 VAL A 21 13.509 -4.828 9.286 1.00 23.31 H new ATOM 0 HG13 VAL A 21 12.163 -5.972 9.070 1.00 23.31 H new ATOM 0 HG21 VAL A 21 10.926 -5.492 11.857 1.00 5.33 H new ATOM 0 HG22 VAL A 21 11.173 -7.109 11.158 1.00 5.33 H new ATOM 0 HG23 VAL A 21 11.867 -6.711 12.748 1.00 5.33 H new ATOM 334 N ASP A 22 13.805 -8.446 12.868 1.00 31.34 N ATOM 335 CA ASP A 22 14.190 -8.939 14.186 1.00 34.11 C ATOM 336 C ASP A 22 14.178 -10.464 14.220 1.00 64.45 C ATOM 337 O ASP A 22 13.473 -11.107 13.443 1.00 24.43 O ATOM 338 CB ASP A 22 13.248 -8.384 15.255 1.00 2.35 C ATOM 339 CG ASP A 22 13.333 -6.876 15.376 1.00 12.32 C ATOM 340 OD1 ASP A 22 12.270 -6.220 15.391 1.00 25.10 O ATOM 341 OD2 ASP A 22 14.463 -6.350 15.457 1.00 2.01 O1- ATOM 0 H ASP A 22 13.051 -8.971 12.425 1.00 31.34 H new ATOM 0 HA ASP A 22 15.204 -8.598 14.394 1.00 34.11 H new ATOM 0 HB2 ASP A 22 12.224 -8.669 15.015 1.00 2.35 H new ATOM 0 HB3 ASP A 22 13.488 -8.837 16.217 1.00 2.35 H new ATOM 346 N ALA A 23 14.965 -11.036 15.126 1.00 45.21 N ATOM 347 CA ALA A 23 15.043 -12.485 15.262 1.00 14.32 C ATOM 348 C ALA A 23 13.657 -13.096 15.442 1.00 51.22 C ATOM 349 O ALA A 23 13.405 -14.221 15.014 1.00 61.02 O ATOM 350 CB ALA A 23 15.942 -12.856 16.433 1.00 11.53 C ATOM 0 H ALA A 23 15.557 -10.518 15.776 1.00 45.21 H new ATOM 0 HA ALA A 23 15.472 -12.889 14.345 1.00 14.32 H new ATOM 0 HB1 ALA A 23 15.992 -13.941 16.524 1.00 11.53 H new ATOM 0 HB2 ALA A 23 16.943 -12.460 16.263 1.00 11.53 H new ATOM 0 HB3 ALA A 23 15.536 -12.433 17.352 1.00 11.53 H new ATOM 356 N ALA A 24 12.763 -12.346 16.079 1.00 24.41 N ATOM 357 CA ALA A 24 11.403 -12.813 16.312 1.00 54.51 C ATOM 358 C ALA A 24 10.546 -12.659 15.062 1.00 3.13 C ATOM 359 O ALA A 24 9.636 -13.453 14.816 1.00 23.22 O ATOM 360 CB ALA A 24 10.780 -12.061 17.479 1.00 61.03 C ATOM 0 H ALA A 24 12.957 -11.413 16.442 1.00 24.41 H new ATOM 0 HA ALA A 24 11.447 -13.874 16.559 1.00 54.51 H new ATOM 0 HB1 ALA A 24 9.764 -12.420 17.642 1.00 61.03 H new ATOM 0 HB2 ALA A 24 11.373 -12.229 18.378 1.00 61.03 H new ATOM 0 HB3 ALA A 24 10.756 -10.995 17.254 1.00 61.03 H new ATOM 366 N THR A 25 10.839 -11.631 14.271 1.00 1.15 N ATOM 367 CA THR A 25 10.095 -11.370 13.046 1.00 53.23 C ATOM 368 C THR A 25 10.225 -12.532 12.067 1.00 30.45 C ATOM 369 O THR A 25 9.247 -12.942 11.442 1.00 63.44 O ATOM 370 CB THR A 25 10.576 -10.078 12.359 1.00 71.03 C ATOM 371 OG1 THR A 25 10.531 -8.987 13.285 1.00 61.13 O ATOM 372 CG2 THR A 25 9.716 -9.758 11.146 1.00 61.04 C ATOM 0 H THR A 25 11.588 -10.965 14.458 1.00 1.15 H new ATOM 0 HA THR A 25 9.049 -11.252 13.330 1.00 53.23 H new ATOM 0 HB THR A 25 11.603 -10.229 12.026 1.00 71.03 H new ATOM 0 HG1 THR A 25 10.062 -8.230 12.876 1.00 61.13 H new ATOM 0 HG21 THR A 25 10.075 -8.842 10.677 1.00 61.04 H new ATOM 0 HG22 THR A 25 9.776 -10.579 10.431 1.00 61.04 H new ATOM 0 HG23 THR A 25 8.681 -9.624 11.459 1.00 61.04 H new ATOM 380 N ALA A 26 11.437 -13.059 11.939 1.00 14.02 N ATOM 381 CA ALA A 26 11.694 -14.175 11.037 1.00 64.04 C ATOM 382 C ALA A 26 11.178 -15.484 11.623 1.00 75.33 C ATOM 383 O ALA A 26 10.656 -16.333 10.902 1.00 62.32 O ATOM 384 CB ALA A 26 13.183 -14.281 10.737 1.00 21.44 C ATOM 0 H ALA A 26 12.257 -12.731 12.449 1.00 14.02 H new ATOM 0 HA ALA A 26 11.159 -13.987 10.106 1.00 64.04 H new ATOM 0 HB1 ALA A 26 13.359 -15.119 10.062 1.00 21.44 H new ATOM 0 HB2 ALA A 26 13.526 -13.359 10.268 1.00 21.44 H new ATOM 0 HB3 ALA A 26 13.731 -14.441 11.666 1.00 21.44 H new ATOM 390 N GLU A 27 11.327 -15.641 12.935 1.00 43.32 N ATOM 391 CA GLU A 27 10.877 -16.848 13.616 1.00 43.14 C ATOM 392 C GLU A 27 9.383 -17.071 13.397 1.00 11.53 C ATOM 393 O GLU A 27 8.921 -18.207 13.292 1.00 74.20 O ATOM 394 CB GLU A 27 11.174 -16.757 15.114 1.00 72.21 C ATOM 395 CG GLU A 27 10.658 -17.944 15.910 1.00 34.42 C ATOM 396 CD GLU A 27 9.247 -17.733 16.422 1.00 24.33 C ATOM 397 OE1 GLU A 27 8.645 -16.692 16.087 1.00 1.45 O ATOM 398 OE2 GLU A 27 8.745 -18.610 17.157 1.00 75.42 O1- ATOM 0 H GLU A 27 11.756 -14.947 13.547 1.00 43.32 H new ATOM 0 HA GLU A 27 11.420 -17.694 13.196 1.00 43.14 H new ATOM 0 HB2 GLU A 27 12.251 -16.674 15.258 1.00 72.21 H new ATOM 0 HB3 GLU A 27 10.729 -15.844 15.509 1.00 72.21 H new ATOM 0 HG2 GLU A 27 10.684 -18.836 15.284 1.00 34.42 H new ATOM 0 HG3 GLU A 27 11.323 -18.128 16.754 1.00 34.42 H new ATOM 405 N LYS A 28 8.631 -15.977 13.328 1.00 10.53 N ATOM 406 CA LYS A 28 7.189 -16.050 13.121 1.00 11.42 C ATOM 407 C LYS A 28 6.862 -16.797 11.832 1.00 42.33 C ATOM 408 O LYS A 28 5.900 -17.563 11.774 1.00 43.53 O ATOM 409 CB LYS A 28 6.588 -14.642 13.075 1.00 1.23 C ATOM 410 CG LYS A 28 5.088 -14.613 13.311 1.00 4.35 C ATOM 411 CD LYS A 28 4.633 -13.265 13.842 1.00 51.12 C ATOM 412 CE LYS A 28 3.118 -13.142 13.824 1.00 54.21 C ATOM 413 NZ LYS A 28 2.584 -13.062 12.437 1.00 52.40 N1+ ATOM 0 H LYS A 28 8.997 -15.029 13.413 1.00 10.53 H new ATOM 0 HA LYS A 28 6.754 -16.597 13.957 1.00 11.42 H new ATOM 0 HB2 LYS A 28 7.078 -14.022 13.826 1.00 1.23 H new ATOM 0 HB3 LYS A 28 6.803 -14.196 12.104 1.00 1.23 H new ATOM 0 HG2 LYS A 28 4.568 -14.832 12.379 1.00 4.35 H new ATOM 0 HG3 LYS A 28 4.815 -15.395 14.020 1.00 4.35 H new ATOM 0 HD2 LYS A 28 4.998 -13.132 14.860 1.00 51.12 H new ATOM 0 HD3 LYS A 28 5.071 -12.469 13.240 1.00 51.12 H new ATOM 0 HE2 LYS A 28 2.678 -13.999 14.333 1.00 54.21 H new ATOM 0 HE3 LYS A 28 2.819 -12.253 14.380 1.00 54.21 H new ATOM 0 HZ1 LYS A 28 1.599 -12.728 12.463 1.00 52.40 H new ATOM 0 HZ2 LYS A 28 3.160 -12.398 11.881 1.00 52.40 H new ATOM 0 HZ3 LYS A 28 2.619 -14.004 11.997 1.00 52.40 H new ATOM 427 N VAL A 29 7.669 -16.570 10.801 1.00 55.33 N ATOM 428 CA VAL A 29 7.467 -17.223 9.513 1.00 74.14 C ATOM 429 C VAL A 29 8.162 -18.579 9.470 1.00 45.15 C ATOM 430 O VAL A 29 7.603 -19.561 8.983 1.00 41.12 O ATOM 431 CB VAL A 29 7.988 -16.353 8.355 1.00 72.33 C ATOM 432 CG1 VAL A 29 7.687 -17.011 7.015 1.00 62.33 C ATOM 433 CG2 VAL A 29 7.383 -14.959 8.421 1.00 32.35 C ATOM 0 H VAL A 29 8.469 -15.938 10.832 1.00 55.33 H new ATOM 0 HA VAL A 29 6.393 -17.365 9.395 1.00 74.14 H new ATOM 0 HB VAL A 29 9.070 -16.259 8.453 1.00 72.33 H new ATOM 0 HG11 VAL A 29 8.063 -16.382 6.208 1.00 62.33 H new ATOM 0 HG12 VAL A 29 8.173 -17.986 6.971 1.00 62.33 H new ATOM 0 HG13 VAL A 29 6.610 -17.137 6.905 1.00 62.33 H new ATOM 0 HG21 VAL A 29 7.763 -14.358 7.595 1.00 32.35 H new ATOM 0 HG22 VAL A 29 6.298 -15.030 8.350 1.00 32.35 H new ATOM 0 HG23 VAL A 29 7.655 -14.489 9.366 1.00 32.35 H new ATOM 443 N LEU A 30 9.387 -18.626 9.982 1.00 22.41 N ATOM 444 CA LEU A 30 10.161 -19.862 10.004 1.00 71.11 C ATOM 445 C LEU A 30 9.402 -20.968 10.731 1.00 21.34 C ATOM 446 O LEU A 30 9.320 -22.098 10.252 1.00 3.24 O ATOM 447 CB LEU A 30 11.515 -19.628 10.677 1.00 44.45 C ATOM 448 CG LEU A 30 12.506 -18.755 9.908 1.00 70.12 C ATOM 449 CD1 LEU A 30 13.819 -18.643 10.665 1.00 63.35 C ATOM 450 CD2 LEU A 30 12.740 -19.317 8.512 1.00 70.44 C ATOM 0 H LEU A 30 9.866 -17.822 10.388 1.00 22.41 H new ATOM 0 HA LEU A 30 10.325 -20.177 8.973 1.00 71.11 H new ATOM 0 HB2 LEU A 30 11.340 -19.171 11.651 1.00 44.45 H new ATOM 0 HB3 LEU A 30 11.980 -20.597 10.858 1.00 44.45 H new ATOM 0 HG LEU A 30 12.081 -17.756 9.810 1.00 70.12 H new ATOM 0 HD11 LEU A 30 14.512 -18.018 10.102 1.00 63.35 H new ATOM 0 HD12 LEU A 30 13.639 -18.195 11.642 1.00 63.35 H new ATOM 0 HD13 LEU A 30 14.250 -19.636 10.795 1.00 63.35 H new ATOM 0 HD21 LEU A 30 13.448 -18.683 7.979 1.00 70.44 H new ATOM 0 HD22 LEU A 30 13.144 -20.327 8.589 1.00 70.44 H new ATOM 0 HD23 LEU A 30 11.796 -19.344 7.968 1.00 70.44 H new ATOM 462 N LYS A 31 8.847 -20.632 11.890 1.00 35.54 N ATOM 463 CA LYS A 31 8.090 -21.594 12.683 1.00 4.33 C ATOM 464 C LYS A 31 6.880 -22.105 11.909 1.00 65.22 C ATOM 465 O LYS A 31 6.401 -23.213 12.151 1.00 4.33 O ATOM 466 CB LYS A 31 7.637 -20.957 13.999 1.00 23.41 C ATOM 467 CG LYS A 31 6.522 -19.938 13.830 1.00 4.34 C ATOM 468 CD LYS A 31 6.211 -19.229 15.135 1.00 42.12 C ATOM 469 CE LYS A 31 5.619 -20.183 16.161 1.00 21.52 C ATOM 470 NZ LYS A 31 4.753 -19.474 17.143 1.00 51.51 N1+ ATOM 0 H LYS A 31 8.907 -19.701 12.302 1.00 35.54 H new ATOM 0 HA LYS A 31 8.742 -22.440 12.902 1.00 4.33 H new ATOM 0 HB2 LYS A 31 7.301 -21.742 14.676 1.00 23.41 H new ATOM 0 HB3 LYS A 31 8.492 -20.473 14.472 1.00 23.41 H new ATOM 0 HG2 LYS A 31 6.810 -19.205 13.076 1.00 4.34 H new ATOM 0 HG3 LYS A 31 5.625 -20.437 13.463 1.00 4.34 H new ATOM 0 HD2 LYS A 31 7.122 -18.784 15.534 1.00 42.12 H new ATOM 0 HD3 LYS A 31 5.512 -18.413 14.949 1.00 42.12 H new ATOM 0 HE2 LYS A 31 5.036 -20.950 15.650 1.00 21.52 H new ATOM 0 HE3 LYS A 31 6.424 -20.694 16.689 1.00 21.52 H new ATOM 0 HZ1 LYS A 31 4.369 -20.159 17.825 1.00 51.51 H new ATOM 0 HZ2 LYS A 31 5.315 -18.760 17.649 1.00 51.51 H new ATOM 0 HZ3 LYS A 31 3.970 -19.008 16.642 1.00 51.51 H new ATOM 484 N GLN A 32 6.392 -21.292 10.978 1.00 0.41 N ATOM 485 CA GLN A 32 5.236 -21.663 10.170 1.00 31.03 C ATOM 486 C GLN A 32 5.651 -22.574 9.017 1.00 72.23 C ATOM 487 O GLN A 32 4.929 -23.504 8.658 1.00 71.20 O ATOM 488 CB GLN A 32 4.545 -20.412 9.624 1.00 14.11 C ATOM 489 CG GLN A 32 3.617 -19.746 10.627 1.00 32.21 C ATOM 490 CD GLN A 32 2.363 -20.555 10.890 1.00 64.43 C ATOM 491 OE1 GLN A 32 1.586 -20.830 9.976 1.00 13.23 O ATOM 492 NE2 GLN A 32 2.161 -20.940 12.144 1.00 2.52 N ATOM 0 H GLN A 32 6.779 -20.373 10.764 1.00 0.41 H new ATOM 0 HA GLN A 32 4.537 -22.205 10.807 1.00 31.03 H new ATOM 0 HB2 GLN A 32 5.304 -19.695 9.311 1.00 14.11 H new ATOM 0 HB3 GLN A 32 3.974 -20.680 8.735 1.00 14.11 H new ATOM 0 HG2 GLN A 32 4.151 -19.595 11.565 1.00 32.21 H new ATOM 0 HG3 GLN A 32 3.337 -18.759 10.258 1.00 32.21 H new ATOM 0 HE21 GLN A 32 2.833 -20.689 12.869 1.00 2.52 H new ATOM 0 HE22 GLN A 32 1.334 -21.487 12.383 1.00 2.52 H new ATOM 501 N TYR A 33 6.815 -22.298 8.441 1.00 71.01 N ATOM 502 CA TYR A 33 7.323 -23.091 7.328 1.00 11.44 C ATOM 503 C TYR A 33 7.441 -24.561 7.714 1.00 52.42 C ATOM 504 O TYR A 33 7.101 -25.450 6.934 1.00 14.22 O ATOM 505 CB TYR A 33 8.684 -22.559 6.875 1.00 65.32 C ATOM 506 CG TYR A 33 9.179 -23.179 5.588 1.00 22.44 C ATOM 507 CD1 TYR A 33 9.735 -24.453 5.576 1.00 13.33 C ATOM 508 CD2 TYR A 33 9.093 -22.490 4.384 1.00 51.13 C ATOM 509 CE1 TYR A 33 10.188 -25.022 4.401 1.00 41.43 C ATOM 510 CE2 TYR A 33 9.543 -23.052 3.205 1.00 13.20 C ATOM 511 CZ TYR A 33 10.090 -24.318 3.219 1.00 71.22 C ATOM 512 OH TYR A 33 10.540 -24.881 2.047 1.00 45.24 O ATOM 0 H TYR A 33 7.425 -21.531 8.726 1.00 71.01 H new ATOM 0 HA TYR A 33 6.615 -23.008 6.503 1.00 11.44 H new ATOM 0 HB2 TYR A 33 8.618 -21.479 6.746 1.00 65.32 H new ATOM 0 HB3 TYR A 33 9.416 -22.742 7.662 1.00 65.32 H new ATOM 0 HD1 TYR A 33 9.814 -25.007 6.500 1.00 13.33 H new ATOM 0 HD2 TYR A 33 8.667 -21.498 4.370 1.00 51.13 H new ATOM 0 HE1 TYR A 33 10.617 -26.013 4.408 1.00 41.43 H new ATOM 0 HE2 TYR A 33 9.467 -22.503 2.278 1.00 13.20 H new ATOM 0 HH TYR A 33 10.397 -24.255 1.307 1.00 45.24 H new ATOM 522 N ALA A 34 7.925 -24.811 8.927 1.00 65.10 N ATOM 523 CA ALA A 34 8.086 -26.172 9.420 1.00 15.14 C ATOM 524 C ALA A 34 6.753 -26.750 9.884 1.00 13.42 C ATOM 525 O ALA A 34 6.415 -27.889 9.568 1.00 52.15 O ATOM 526 CB ALA A 34 9.102 -26.207 10.551 1.00 34.13 C ATOM 0 H ALA A 34 8.212 -24.087 9.586 1.00 65.10 H new ATOM 0 HA ALA A 34 8.452 -26.788 8.599 1.00 15.14 H new ATOM 0 HB1 ALA A 34 9.212 -27.230 10.910 1.00 34.13 H new ATOM 0 HB2 ALA A 34 10.064 -25.844 10.188 1.00 34.13 H new ATOM 0 HB3 ALA A 34 8.760 -25.571 11.368 1.00 34.13 H new ATOM 532 N ASN A 35 6.001 -25.955 10.640 1.00 4.40 N ATOM 533 CA ASN A 35 4.704 -26.386 11.149 1.00 31.34 C ATOM 534 C ASN A 35 3.801 -26.853 10.012 1.00 43.03 C ATOM 535 O ASN A 35 3.052 -27.819 10.158 1.00 20.12 O ATOM 536 CB ASN A 35 4.031 -25.248 11.917 1.00 3.41 C ATOM 537 CG ASN A 35 2.844 -25.725 12.734 1.00 1.54 C ATOM 538 OD1 ASN A 35 2.956 -25.956 13.936 1.00 2.23 O ATOM 539 ND2 ASN A 35 1.698 -25.874 12.079 1.00 14.42 N ATOM 0 H ASN A 35 6.268 -25.009 10.913 1.00 4.40 H new ATOM 0 HA ASN A 35 4.867 -27.225 11.826 1.00 31.34 H new ATOM 0 HB2 ASN A 35 4.759 -24.779 12.579 1.00 3.41 H new ATOM 0 HB3 ASN A 35 3.701 -24.484 11.213 1.00 3.41 H new ATOM 0 HD21 ASN A 35 0.865 -26.192 12.574 1.00 14.42 H new ATOM 0 HD22 ASN A 35 1.651 -25.670 11.081 1.00 14.42 H new ATOM 546 N ASP A 36 3.877 -26.161 8.882 1.00 53.14 N ATOM 547 CA ASP A 36 3.067 -26.506 7.719 1.00 3.55 C ATOM 548 C ASP A 36 3.356 -27.931 7.258 1.00 42.33 C ATOM 549 O ASP A 36 2.506 -28.581 6.649 1.00 4.33 O ATOM 550 CB ASP A 36 3.334 -25.524 6.576 1.00 33.04 C ATOM 551 CG ASP A 36 2.503 -25.828 5.345 1.00 53.01 C ATOM 552 OD1 ASP A 36 3.027 -26.490 4.424 1.00 24.45 O ATOM 553 OD2 ASP A 36 1.329 -25.406 5.302 1.00 4.10 O1- ATOM 0 H ASP A 36 4.491 -25.358 8.746 1.00 53.14 H new ATOM 0 HA ASP A 36 2.018 -26.442 8.006 1.00 3.55 H new ATOM 0 HB2 ASP A 36 3.119 -24.510 6.914 1.00 33.04 H new ATOM 0 HB3 ASP A 36 4.391 -25.555 6.314 1.00 33.04 H new ATOM 558 N ASN A 37 4.559 -28.411 7.553 1.00 42.23 N ATOM 559 CA ASN A 37 4.960 -29.759 7.167 1.00 52.53 C ATOM 560 C ASN A 37 4.812 -30.727 8.338 1.00 42.51 C ATOM 561 O ASN A 37 5.445 -31.780 8.371 1.00 31.02 O ATOM 562 CB ASN A 37 6.407 -29.761 6.670 1.00 15.40 C ATOM 563 CG ASN A 37 6.562 -29.049 5.340 1.00 24.42 C ATOM 564 OD1 ASN A 37 6.458 -29.663 4.279 1.00 60.52 O ATOM 565 ND2 ASN A 37 6.815 -27.746 5.393 1.00 73.23 N ATOM 0 H ASN A 37 5.273 -27.887 8.058 1.00 42.23 H new ATOM 0 HA ASN A 37 4.305 -30.089 6.360 1.00 52.53 H new ATOM 0 HB2 ASN A 37 7.044 -29.281 7.413 1.00 15.40 H new ATOM 0 HB3 ASN A 37 6.753 -30.790 6.571 1.00 15.40 H new ATOM 0 HD21 ASN A 37 6.931 -27.214 4.531 1.00 73.23 H new ATOM 0 HD22 ASN A 37 6.893 -27.278 6.296 1.00 73.23 H new ATOM 572 N GLY A 38 3.968 -30.359 9.298 1.00 51.42 N ATOM 573 CA GLY A 38 3.751 -31.205 10.458 1.00 22.24 C ATOM 574 C GLY A 38 5.027 -31.464 11.234 1.00 34.14 C ATOM 575 O GLY A 38 5.260 -32.577 11.703 1.00 33.12 O ATOM 0 H GLY A 38 3.431 -29.492 9.293 1.00 51.42 H new ATOM 0 HA2 GLY A 38 3.019 -30.735 11.115 1.00 22.24 H new ATOM 0 HA3 GLY A 38 3.326 -32.156 10.136 1.00 22.24 H new ATOM 579 N ILE A 39 5.856 -30.434 11.368 1.00 5.41 N ATOM 580 CA ILE A 39 7.116 -30.555 12.092 1.00 43.12 C ATOM 581 C ILE A 39 7.012 -29.934 13.480 1.00 65.21 C ATOM 582 O ILE A 39 6.551 -28.803 13.635 1.00 75.24 O ATOM 583 CB ILE A 39 8.272 -29.887 11.326 1.00 74.04 C ATOM 584 CG1 ILE A 39 8.372 -30.455 9.910 1.00 32.44 C ATOM 585 CG2 ILE A 39 9.583 -30.079 12.074 1.00 24.24 C ATOM 586 CD1 ILE A 39 9.429 -29.784 9.062 1.00 45.32 C ATOM 0 H ILE A 39 5.678 -29.506 10.984 1.00 5.41 H new ATOM 0 HA ILE A 39 7.325 -31.620 12.188 1.00 43.12 H new ATOM 0 HB ILE A 39 8.070 -28.818 11.254 1.00 74.04 H new ATOM 0 HG12 ILE A 39 8.589 -31.521 9.970 1.00 32.44 H new ATOM 0 HG13 ILE A 39 7.405 -30.354 9.418 1.00 32.44 H new ATOM 0 HG21 ILE A 39 10.391 -29.601 11.520 1.00 24.24 H new ATOM 0 HG22 ILE A 39 9.506 -29.629 13.064 1.00 24.24 H new ATOM 0 HG23 ILE A 39 9.792 -31.144 12.174 1.00 24.24 H new ATOM 0 HD11 ILE A 39 9.443 -30.238 8.071 1.00 45.32 H new ATOM 0 HD12 ILE A 39 9.202 -28.722 8.971 1.00 45.32 H new ATOM 0 HD13 ILE A 39 10.405 -29.908 9.532 1.00 45.32 H new ATOM 598 N ASP A 40 7.447 -30.682 14.490 1.00 61.20 N ATOM 599 CA ASP A 40 7.408 -30.204 15.867 1.00 24.44 C ATOM 600 C ASP A 40 8.425 -30.946 16.729 1.00 75.15 C ATOM 601 O ASP A 40 8.478 -32.174 16.727 1.00 21.14 O ATOM 602 CB ASP A 40 6.004 -30.378 16.450 1.00 21.12 C ATOM 603 CG ASP A 40 5.431 -31.755 16.178 1.00 61.13 C ATOM 604 OD1 ASP A 40 4.837 -31.947 15.095 1.00 32.42 O ATOM 605 OD2 ASP A 40 5.577 -32.641 17.044 1.00 33.42 O1- ATOM 0 H ASP A 40 7.830 -31.621 14.380 1.00 61.20 H new ATOM 0 HA ASP A 40 7.664 -29.145 15.865 1.00 24.44 H new ATOM 0 HB2 ASP A 40 6.037 -30.207 17.526 1.00 21.12 H new ATOM 0 HB3 ASP A 40 5.342 -29.622 16.027 1.00 21.12 H new ATOM 610 N GLY A 41 9.235 -30.189 17.464 1.00 21.24 N ATOM 611 CA GLY A 41 10.240 -30.790 18.319 1.00 13.12 C ATOM 612 C GLY A 41 10.947 -29.770 19.191 1.00 54.42 C ATOM 613 O GLY A 41 10.347 -28.780 19.608 1.00 31.04 O ATOM 0 H GLY A 41 9.212 -29.169 17.482 1.00 21.24 H new ATOM 0 HA2 GLY A 41 9.770 -31.542 18.953 1.00 13.12 H new ATOM 0 HA3 GLY A 41 10.975 -31.307 17.702 1.00 13.12 H new ATOM 617 N GLU A 42 12.223 -30.013 19.467 1.00 64.11 N ATOM 618 CA GLU A 42 13.010 -29.109 20.297 1.00 65.43 C ATOM 619 C GLU A 42 13.581 -27.964 19.465 1.00 12.22 C ATOM 620 O GLU A 42 14.668 -28.076 18.899 1.00 14.12 O ATOM 621 CB GLU A 42 14.146 -29.870 20.985 1.00 1.43 C ATOM 622 CG GLU A 42 15.104 -28.973 21.751 1.00 20.13 C ATOM 623 CD GLU A 42 15.939 -29.737 22.760 1.00 40.20 C ATOM 624 OE1 GLU A 42 17.183 -29.660 22.679 1.00 2.41 O ATOM 625 OE2 GLU A 42 15.349 -30.414 23.629 1.00 21.53 O1- ATOM 0 H GLU A 42 12.734 -30.828 19.128 1.00 64.11 H new ATOM 0 HA GLU A 42 12.351 -28.689 21.057 1.00 65.43 H new ATOM 0 HB2 GLU A 42 13.719 -30.601 21.671 1.00 1.43 H new ATOM 0 HB3 GLU A 42 14.706 -30.427 20.234 1.00 1.43 H new ATOM 0 HG2 GLU A 42 15.765 -28.468 21.046 1.00 20.13 H new ATOM 0 HG3 GLU A 42 14.536 -28.198 22.267 1.00 20.13 H new ATOM 632 N TRP A 43 12.839 -26.866 19.395 1.00 12.33 N ATOM 633 CA TRP A 43 13.271 -25.699 18.632 1.00 44.33 C ATOM 634 C TRP A 43 14.346 -24.923 19.385 1.00 24.52 C ATOM 635 O TRP A 43 14.111 -24.426 20.487 1.00 14.53 O ATOM 636 CB TRP A 43 12.079 -24.788 18.336 1.00 25.15 C ATOM 637 CG TRP A 43 11.269 -25.232 17.156 1.00 35.14 C ATOM 638 CD1 TRP A 43 10.371 -26.260 17.118 1.00 73.03 C ATOM 639 CD2 TRP A 43 11.286 -24.663 15.842 1.00 24.03 C ATOM 640 NE1 TRP A 43 9.829 -26.366 15.859 1.00 43.32 N ATOM 641 CE2 TRP A 43 10.372 -25.396 15.059 1.00 4.35 C ATOM 642 CE3 TRP A 43 11.983 -23.605 15.252 1.00 72.51 C ATOM 643 CZ2 TRP A 43 10.141 -25.104 13.718 1.00 45.31 C ATOM 644 CZ3 TRP A 43 11.750 -23.316 13.921 1.00 3.34 C ATOM 645 CH2 TRP A 43 10.837 -24.062 13.165 1.00 12.41 C ATOM 0 H TRP A 43 11.936 -26.758 19.856 1.00 12.33 H new ATOM 0 HA TRP A 43 13.695 -26.048 17.690 1.00 44.33 H new ATOM 0 HB2 TRP A 43 11.435 -24.747 19.215 1.00 25.15 H new ATOM 0 HB3 TRP A 43 12.441 -23.775 18.159 1.00 25.15 H new ATOM 0 HD1 TRP A 43 10.123 -26.897 17.954 1.00 73.03 H new ATOM 0 HE1 TRP A 43 9.135 -27.055 15.568 1.00 43.32 H new ATOM 0 HE3 TRP A 43 12.690 -23.024 15.826 1.00 72.51 H new ATOM 0 HZ2 TRP A 43 9.438 -25.679 13.134 1.00 45.31 H new ATOM 0 HZ3 TRP A 43 12.282 -22.500 13.455 1.00 3.34 H new ATOM 0 HH2 TRP A 43 10.679 -23.811 12.127 1.00 12.41 H new ATOM 656 N THR A 44 15.526 -24.821 18.783 1.00 34.53 N ATOM 657 CA THR A 44 16.638 -24.105 19.396 1.00 65.03 C ATOM 658 C THR A 44 16.979 -22.843 18.613 1.00 54.41 C ATOM 659 O THR A 44 16.582 -22.691 17.457 1.00 30.31 O ATOM 660 CB THR A 44 17.893 -24.992 19.491 1.00 61.21 C ATOM 661 OG1 THR A 44 17.514 -26.359 19.684 1.00 24.22 O ATOM 662 CG2 THR A 44 18.788 -24.543 20.637 1.00 35.31 C ATOM 0 H THR A 44 15.737 -25.225 17.871 1.00 34.53 H new ATOM 0 HA THR A 44 16.320 -23.830 20.402 1.00 65.03 H new ATOM 0 HB THR A 44 18.448 -24.897 18.558 1.00 61.21 H new ATOM 0 HG1 THR A 44 17.230 -26.744 18.829 1.00 24.22 H new ATOM 0 HG21 THR A 44 19.668 -25.184 20.684 1.00 35.31 H new ATOM 0 HG22 THR A 44 19.099 -23.511 20.473 1.00 35.31 H new ATOM 0 HG23 THR A 44 18.239 -24.611 21.576 1.00 35.31 H new ATOM 670 N TYR A 45 17.719 -21.941 19.247 1.00 42.04 N ATOM 671 CA TYR A 45 18.113 -20.690 18.610 1.00 11.43 C ATOM 672 C TYR A 45 19.452 -20.199 19.151 1.00 51.14 C ATOM 673 O TYR A 45 19.777 -20.415 20.320 1.00 5.30 O ATOM 674 CB TYR A 45 17.040 -19.622 18.827 1.00 44.21 C ATOM 675 CG TYR A 45 16.935 -19.152 20.261 1.00 0.20 C ATOM 676 CD1 TYR A 45 17.480 -17.936 20.655 1.00 21.12 C ATOM 677 CD2 TYR A 45 16.293 -19.924 21.221 1.00 61.13 C ATOM 678 CE1 TYR A 45 17.387 -17.502 21.963 1.00 52.42 C ATOM 679 CE2 TYR A 45 16.194 -19.498 22.531 1.00 11.21 C ATOM 680 CZ TYR A 45 16.743 -18.287 22.898 1.00 74.21 C ATOM 681 OH TYR A 45 16.648 -17.860 24.203 1.00 75.43 O ATOM 0 H TYR A 45 18.059 -22.053 20.202 1.00 42.04 H new ATOM 0 HA TYR A 45 18.221 -20.876 17.541 1.00 11.43 H new ATOM 0 HB2 TYR A 45 17.257 -18.766 18.188 1.00 44.21 H new ATOM 0 HB3 TYR A 45 16.075 -20.019 18.512 1.00 44.21 H new ATOM 0 HD1 TYR A 45 17.985 -17.320 19.926 1.00 21.12 H new ATOM 0 HD2 TYR A 45 15.864 -20.874 20.938 1.00 61.13 H new ATOM 0 HE1 TYR A 45 17.816 -16.554 22.252 1.00 52.42 H new ATOM 0 HE2 TYR A 45 15.689 -20.110 23.264 1.00 11.21 H new ATOM 0 HH TYR A 45 16.164 -18.528 24.732 1.00 75.43 H new ATOM 691 N ASP A 46 20.223 -19.538 18.296 1.00 21.33 N ATOM 692 CA ASP A 46 21.526 -19.016 18.688 1.00 1.32 C ATOM 693 C ASP A 46 21.616 -17.518 18.409 1.00 61.15 C ATOM 694 O ASP A 46 21.202 -17.046 17.350 1.00 72.22 O ATOM 695 CB ASP A 46 22.641 -19.752 17.944 1.00 43.44 C ATOM 696 CG ASP A 46 24.015 -19.439 18.500 1.00 51.23 C ATOM 697 OD1 ASP A 46 25.015 -19.905 17.915 1.00 21.34 O ATOM 698 OD2 ASP A 46 24.092 -18.725 19.522 1.00 62.22 O1- ATOM 0 H ASP A 46 19.968 -19.351 17.326 1.00 21.33 H new ATOM 0 HA ASP A 46 21.647 -19.178 19.759 1.00 1.32 H new ATOM 0 HB2 ASP A 46 22.465 -20.826 18.003 1.00 43.44 H new ATOM 0 HB3 ASP A 46 22.609 -19.481 16.889 1.00 43.44 H new ATOM 703 N ASP A 47 22.159 -16.775 19.368 1.00 41.54 N ATOM 704 CA ASP A 47 22.302 -15.331 19.227 1.00 4.41 C ATOM 705 C ASP A 47 23.645 -14.978 18.594 1.00 62.25 C ATOM 706 O ASP A 47 23.790 -13.927 17.971 1.00 5.11 O ATOM 707 CB ASP A 47 22.173 -14.649 20.590 1.00 71.13 C ATOM 708 CG ASP A 47 21.952 -13.154 20.471 1.00 1.25 C ATOM 709 OD1 ASP A 47 22.924 -12.392 20.659 1.00 61.20 O ATOM 710 OD2 ASP A 47 20.806 -12.745 20.188 1.00 74.15 O1- ATOM 0 H ASP A 47 22.507 -17.149 20.251 1.00 41.54 H new ATOM 0 HA ASP A 47 21.506 -14.974 18.573 1.00 4.41 H new ATOM 0 HB2 ASP A 47 21.342 -15.094 21.138 1.00 71.13 H new ATOM 0 HB3 ASP A 47 23.075 -14.835 21.173 1.00 71.13 H new ATOM 715 N ALA A 48 24.622 -15.863 18.759 1.00 25.10 N ATOM 716 CA ALA A 48 25.951 -15.646 18.202 1.00 40.24 C ATOM 717 C ALA A 48 25.979 -15.957 16.709 1.00 31.42 C ATOM 718 O ALA A 48 26.442 -15.148 15.904 1.00 53.32 O ATOM 719 CB ALA A 48 26.978 -16.496 18.938 1.00 4.21 C ATOM 0 H ALA A 48 24.518 -16.737 19.274 1.00 25.10 H new ATOM 0 HA ALA A 48 26.204 -14.594 18.333 1.00 40.24 H new ATOM 0 HB1 ALA A 48 27.966 -16.324 18.511 1.00 4.21 H new ATOM 0 HB2 ALA A 48 26.986 -16.224 19.993 1.00 4.21 H new ATOM 0 HB3 ALA A 48 26.718 -17.550 18.837 1.00 4.21 H new ATOM 725 N THR A 49 25.481 -17.134 16.345 1.00 12.11 N ATOM 726 CA THR A 49 25.450 -17.551 14.948 1.00 74.11 C ATOM 727 C THR A 49 24.190 -17.049 14.251 1.00 70.20 C ATOM 728 O THR A 49 24.118 -17.018 13.023 1.00 32.42 O ATOM 729 CB THR A 49 25.517 -19.085 14.819 1.00 24.41 C ATOM 730 OG1 THR A 49 24.353 -19.678 15.406 1.00 1.21 O ATOM 731 CG2 THR A 49 26.766 -19.631 15.496 1.00 41.21 C ATOM 0 H THR A 49 25.094 -17.816 16.998 1.00 12.11 H new ATOM 0 HA THR A 49 26.326 -17.114 14.468 1.00 74.11 H new ATOM 0 HB THR A 49 25.557 -19.337 13.759 1.00 24.41 H new ATOM 0 HG1 THR A 49 24.603 -20.138 16.235 1.00 1.21 H new ATOM 0 HG21 THR A 49 26.792 -20.716 15.392 1.00 41.21 H new ATOM 0 HG22 THR A 49 27.651 -19.201 15.028 1.00 41.21 H new ATOM 0 HG23 THR A 49 26.751 -19.368 16.554 1.00 41.21 H new ATOM 739 N LYS A 50 23.198 -16.656 15.043 1.00 21.45 N ATOM 740 CA LYS A 50 21.941 -16.153 14.505 1.00 24.50 C ATOM 741 C LYS A 50 21.281 -17.193 13.604 1.00 44.50 C ATOM 742 O LYS A 50 20.764 -16.866 12.534 1.00 62.24 O ATOM 743 CB LYS A 50 22.180 -14.863 13.719 1.00 43.32 C ATOM 744 CG LYS A 50 22.321 -13.632 14.599 1.00 63.34 C ATOM 745 CD LYS A 50 20.992 -13.237 15.222 1.00 34.24 C ATOM 746 CE LYS A 50 21.191 -12.397 16.475 1.00 43.43 C ATOM 747 NZ LYS A 50 21.396 -10.958 16.151 1.00 51.44 N1+ ATOM 0 H LYS A 50 23.241 -16.677 16.062 1.00 21.45 H new ATOM 0 HA LYS A 50 21.274 -15.945 15.341 1.00 24.50 H new ATOM 0 HB2 LYS A 50 23.083 -14.975 13.118 1.00 43.32 H new ATOM 0 HB3 LYS A 50 21.353 -14.711 13.026 1.00 43.32 H new ATOM 0 HG2 LYS A 50 23.049 -13.828 15.386 1.00 63.34 H new ATOM 0 HG3 LYS A 50 22.707 -12.802 14.007 1.00 63.34 H new ATOM 0 HD2 LYS A 50 20.401 -12.677 14.497 1.00 34.24 H new ATOM 0 HD3 LYS A 50 20.425 -14.134 15.470 1.00 34.24 H new ATOM 0 HE2 LYS A 50 20.322 -12.503 17.125 1.00 43.43 H new ATOM 0 HE3 LYS A 50 22.052 -12.771 17.030 1.00 43.43 H new ATOM 0 HZ1 LYS A 50 21.528 -10.419 17.031 1.00 51.44 H new ATOM 0 HZ2 LYS A 50 22.240 -10.854 15.552 1.00 51.44 H new ATOM 0 HZ3 LYS A 50 20.564 -10.594 15.644 1.00 51.44 H new ATOM 761 N THR A 51 21.299 -18.448 14.043 1.00 11.32 N ATOM 762 CA THR A 51 20.703 -19.535 13.277 1.00 1.22 C ATOM 763 C THR A 51 19.750 -20.355 14.139 1.00 61.11 C ATOM 764 O THR A 51 19.991 -20.559 15.329 1.00 14.31 O ATOM 765 CB THR A 51 21.780 -20.467 12.693 1.00 32.44 C ATOM 766 OG1 THR A 51 22.639 -19.733 11.814 1.00 5.41 O ATOM 767 CG2 THR A 51 21.143 -21.624 11.938 1.00 11.53 C ATOM 0 H THR A 51 21.720 -18.736 14.926 1.00 11.32 H new ATOM 0 HA THR A 51 20.147 -19.078 12.458 1.00 1.22 H new ATOM 0 HB THR A 51 22.366 -20.871 13.519 1.00 32.44 H new ATOM 0 HG1 THR A 51 23.322 -20.333 11.448 1.00 5.41 H new ATOM 0 HG21 THR A 51 21.924 -22.269 11.534 1.00 11.53 H new ATOM 0 HG22 THR A 51 20.513 -22.198 12.617 1.00 11.53 H new ATOM 0 HG23 THR A 51 20.536 -21.235 11.121 1.00 11.53 H new ATOM 775 N PHE A 52 18.667 -20.827 13.530 1.00 30.20 N ATOM 776 CA PHE A 52 17.676 -21.626 14.242 1.00 4.54 C ATOM 777 C PHE A 52 17.799 -23.102 13.872 1.00 30.30 C ATOM 778 O PHE A 52 17.892 -23.453 12.696 1.00 21.14 O ATOM 779 CB PHE A 52 16.264 -21.125 13.928 1.00 12.04 C ATOM 780 CG PHE A 52 15.921 -19.831 14.608 1.00 74.44 C ATOM 781 CD1 PHE A 52 16.200 -18.618 13.999 1.00 35.05 C ATOM 782 CD2 PHE A 52 15.322 -19.827 15.857 1.00 63.21 C ATOM 783 CE1 PHE A 52 15.885 -17.425 14.622 1.00 30.21 C ATOM 784 CE2 PHE A 52 15.005 -18.636 16.485 1.00 0.41 C ATOM 785 CZ PHE A 52 15.288 -17.435 15.866 1.00 61.44 C ATOM 0 H PHE A 52 18.453 -20.670 12.545 1.00 30.20 H new ATOM 0 HA PHE A 52 17.862 -21.521 15.311 1.00 4.54 H new ATOM 0 HB2 PHE A 52 16.164 -20.997 12.850 1.00 12.04 H new ATOM 0 HB3 PHE A 52 15.543 -21.885 14.227 1.00 12.04 H new ATOM 0 HD1 PHE A 52 16.669 -18.605 13.026 1.00 35.05 H new ATOM 0 HD2 PHE A 52 15.100 -20.764 16.346 1.00 63.21 H new ATOM 0 HE1 PHE A 52 16.106 -16.486 14.136 1.00 30.21 H new ATOM 0 HE2 PHE A 52 14.537 -18.646 17.458 1.00 0.41 H new ATOM 0 HZ PHE A 52 15.042 -16.504 16.355 1.00 61.44 H new ATOM 795 N THR A 53 17.799 -23.962 14.885 1.00 0.11 N ATOM 796 CA THR A 53 17.912 -25.398 14.669 1.00 21.01 C ATOM 797 C THR A 53 16.954 -26.168 15.570 1.00 13.54 C ATOM 798 O THR A 53 17.039 -26.087 16.795 1.00 65.33 O ATOM 799 CB THR A 53 19.348 -25.893 14.923 1.00 71.55 C ATOM 800 OG1 THR A 53 20.284 -25.056 14.237 1.00 33.14 O ATOM 801 CG2 THR A 53 19.515 -27.334 14.462 1.00 42.43 C ATOM 0 H THR A 53 17.722 -23.688 15.864 1.00 0.11 H new ATOM 0 HA THR A 53 17.651 -25.581 13.627 1.00 21.01 H new ATOM 0 HB THR A 53 19.539 -25.847 15.995 1.00 71.55 H new ATOM 0 HG1 THR A 53 21.194 -25.377 14.405 1.00 33.14 H new ATOM 0 HG21 THR A 53 20.537 -27.661 14.652 1.00 42.43 H new ATOM 0 HG22 THR A 53 18.822 -27.974 15.009 1.00 42.43 H new ATOM 0 HG23 THR A 53 19.305 -27.401 13.395 1.00 42.43 H new ATOM 809 N VAL A 54 16.043 -26.916 14.956 1.00 41.10 N ATOM 810 CA VAL A 54 15.069 -27.702 15.703 1.00 72.00 C ATOM 811 C VAL A 54 15.347 -29.195 15.569 1.00 45.11 C ATOM 812 O VAL A 54 15.395 -29.732 14.462 1.00 12.34 O ATOM 813 CB VAL A 54 13.632 -27.415 15.229 1.00 0.11 C ATOM 814 CG1 VAL A 54 13.505 -27.658 13.732 1.00 3.22 C ATOM 815 CG2 VAL A 54 12.636 -28.266 16.002 1.00 74.40 C ATOM 0 H VAL A 54 15.959 -26.994 13.942 1.00 41.10 H new ATOM 0 HA VAL A 54 15.164 -27.410 16.749 1.00 72.00 H new ATOM 0 HB VAL A 54 13.406 -26.366 15.423 1.00 0.11 H new ATOM 0 HG11 VAL A 54 12.483 -27.450 13.415 1.00 3.22 H new ATOM 0 HG12 VAL A 54 14.191 -27.001 13.197 1.00 3.22 H new ATOM 0 HG13 VAL A 54 13.750 -28.697 13.510 1.00 3.22 H new ATOM 0 HG21 VAL A 54 11.626 -28.050 15.654 1.00 74.40 H new ATOM 0 HG22 VAL A 54 12.857 -29.321 15.842 1.00 74.40 H new ATOM 0 HG23 VAL A 54 12.710 -28.037 17.065 1.00 74.40 H new ATOM 825 N THR A 55 15.533 -29.862 16.704 1.00 72.33 N ATOM 826 CA THR A 55 15.807 -31.293 16.713 1.00 3.13 C ATOM 827 C THR A 55 14.523 -32.098 16.860 1.00 12.32 C ATOM 828 O THR A 55 13.864 -32.051 17.898 1.00 74.03 O ATOM 829 CB THR A 55 16.772 -31.671 17.854 1.00 4.31 C ATOM 830 OG1 THR A 55 17.710 -30.614 18.074 1.00 72.43 O ATOM 831 CG2 THR A 55 17.515 -32.958 17.530 1.00 14.14 C ATOM 0 H THR A 55 15.499 -29.433 17.629 1.00 72.33 H new ATOM 0 HA THR A 55 16.273 -31.533 15.757 1.00 3.13 H new ATOM 0 HB THR A 55 16.185 -31.827 18.759 1.00 4.31 H new ATOM 0 HG1 THR A 55 18.318 -30.862 18.802 1.00 72.43 H new ATOM 0 HG21 THR A 55 18.190 -33.205 18.350 1.00 14.14 H new ATOM 0 HG22 THR A 55 16.798 -33.768 17.394 1.00 14.14 H new ATOM 0 HG23 THR A 55 18.090 -32.825 16.614 1.00 14.14 H new ATOM 839 N GLU A 56 14.172 -32.841 15.814 1.00 21.23 N ATOM 840 CA GLU A 56 12.965 -33.657 15.828 1.00 55.12 C ATOM 841 C GLU A 56 13.226 -35.004 16.496 1.00 33.02 C ATOM 842 O GLU A 56 14.367 -35.457 16.576 1.00 51.44 O ATOM 843 CB GLU A 56 12.452 -33.874 14.402 1.00 55.30 C ATOM 844 CG GLU A 56 11.642 -32.707 13.862 1.00 43.44 C ATOM 845 CD GLU A 56 12.480 -31.747 13.041 1.00 30.12 C ATOM 846 OE1 GLU A 56 13.005 -30.773 13.622 1.00 71.33 O ATOM 847 OE2 GLU A 56 12.610 -31.967 11.820 1.00 70.21 O1- ATOM 0 H GLU A 56 14.707 -32.894 14.947 1.00 21.23 H new ATOM 0 HA GLU A 56 12.206 -33.126 16.403 1.00 55.12 H new ATOM 0 HB2 GLU A 56 13.301 -34.052 13.742 1.00 55.30 H new ATOM 0 HB3 GLU A 56 11.837 -34.774 14.379 1.00 55.30 H new ATOM 0 HG2 GLU A 56 10.827 -33.089 13.248 1.00 43.44 H new ATOM 0 HG3 GLU A 56 11.189 -32.168 14.694 1.00 43.44 H new TER 854 GLU A 56