USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 449 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+ 179:sc= -0.435 (180deg=-0.461) USER MOD Single : A 6 LYS NZ :NH3+ 157:sc= -0.0334 (180deg=-0.518) USER MOD Single : A 9 GLN : amide:sc= -0.0046 X(o=-0.0046,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -160:sc= -0.103 (180deg=-0.655) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.117 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0075) USER MOD Single : A 20 GLN : amide:sc= -0.0161 K(o=-0.016,f=-0.76) USER MOD Single : A 25 ASN : amide:sc= -0.313 X(o=-0.31,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -167:sc=-0.00329 (180deg=-0.143) USER MOD Single : A 28 LYS NZ :NH3+ -153:sc= -0.142 (180deg=-0.624) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 44 SER OG : rot 77:sc= 1.26 USER MOD Single : A 45 LYS NZ :NH3+ 147:sc= -0.195 (180deg=-1.39!) USER MOD Single : A 47 LYS NZ :NH3+ -147:sc= -0.311 (180deg=-1.61!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 53 LYS NZ :NH3+ -140:sc= -0.379 (180deg=-2.17!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.743 -0.555 -4.273 1.00 42.42 N ATOM 2 CA MET A 1 1.692 -0.627 -2.818 1.00 11.05 C ATOM 3 C MET A 1 2.970 -1.243 -2.258 1.00 45.14 C ATOM 4 O MET A 1 2.952 -1.890 -1.212 1.00 64.52 O ATOM 5 CB MET A 1 0.479 -1.445 -2.369 1.00 3.23 C ATOM 6 CG MET A 1 -0.815 -1.038 -3.054 1.00 32.40 C ATOM 7 SD MET A 1 -2.271 -1.372 -2.043 1.00 44.12 S ATOM 8 CE MET A 1 -2.788 0.294 -1.635 1.00 74.53 C ATOM 0 H1 MET A 1 0.856 -0.148 -4.632 1.00 42.42 H new ATOM 0 H2 MET A 1 2.541 0.045 -4.563 1.00 42.42 H new ATOM 0 H3 MET A 1 1.868 -1.511 -4.664 1.00 42.42 H new ATOM 0 HA MET A 1 1.600 0.388 -2.432 1.00 11.05 H new ATOM 0 HB2 MET A 1 0.669 -2.500 -2.567 1.00 3.23 H new ATOM 0 HB3 MET A 1 0.359 -1.339 -1.291 1.00 3.23 H new ATOM 0 HG2 MET A 1 -0.778 0.025 -3.290 1.00 32.40 H new ATOM 0 HG3 MET A 1 -0.904 -1.572 -4.000 1.00 32.40 H new ATOM 0 HE1 MET A 1 -3.681 0.255 -1.011 1.00 74.53 H new ATOM 0 HE2 MET A 1 -1.989 0.801 -1.094 1.00 74.53 H new ATOM 0 HE3 MET A 1 -3.010 0.841 -2.551 1.00 74.53 H new ATOM 18 N ALA A 2 4.078 -1.037 -2.963 1.00 5.11 N ATOM 19 CA ALA A 2 5.366 -1.571 -2.535 1.00 53.45 C ATOM 20 C ALA A 2 6.302 -0.453 -2.087 1.00 72.43 C ATOM 21 O ALA A 2 7.001 0.148 -2.902 1.00 12.14 O ATOM 22 CB ALA A 2 6.002 -2.376 -3.658 1.00 61.43 C ATOM 0 H ALA A 2 4.110 -0.505 -3.832 1.00 5.11 H new ATOM 0 HA ALA A 2 5.194 -2.229 -1.683 1.00 53.45 H new ATOM 0 HB1 ALA A 2 6.963 -2.769 -3.325 1.00 61.43 H new ATOM 0 HB2 ALA A 2 5.346 -3.203 -3.929 1.00 61.43 H new ATOM 0 HB3 ALA A 2 6.154 -1.734 -4.525 1.00 61.43 H new ATOM 28 N GLY A 3 6.310 -0.180 -0.786 1.00 75.00 N ATOM 29 CA GLY A 3 7.163 0.865 -0.253 1.00 1.53 C ATOM 30 C GLY A 3 8.632 0.610 -0.526 1.00 1.15 C ATOM 31 O GLY A 3 9.427 1.546 -0.610 1.00 2.30 O ATOM 0 H GLY A 3 5.741 -0.664 -0.092 1.00 75.00 H new ATOM 0 HA2 GLY A 3 6.876 1.822 -0.690 1.00 1.53 H new ATOM 0 HA3 GLY A 3 7.005 0.945 0.823 1.00 1.53 H new ATOM 35 N PHE A 4 8.995 -0.661 -0.662 1.00 73.03 N ATOM 36 CA PHE A 4 10.379 -1.037 -0.924 1.00 70.24 C ATOM 37 C PHE A 4 10.925 -0.292 -2.139 1.00 14.53 C ATOM 38 O PHE A 4 11.884 0.473 -2.032 1.00 43.34 O ATOM 39 CB PHE A 4 10.486 -2.547 -1.149 1.00 33.05 C ATOM 40 CG PHE A 4 11.837 -2.987 -1.636 1.00 53.41 C ATOM 41 CD1 PHE A 4 12.848 -3.287 -0.738 1.00 71.20 C ATOM 42 CD2 PHE A 4 12.095 -3.099 -2.993 1.00 4.42 C ATOM 43 CE1 PHE A 4 14.092 -3.692 -1.183 1.00 62.43 C ATOM 44 CE2 PHE A 4 13.337 -3.504 -3.444 1.00 4.41 C ATOM 45 CZ PHE A 4 14.337 -3.800 -2.538 1.00 43.32 C ATOM 0 H PHE A 4 8.350 -1.448 -0.595 1.00 73.03 H new ATOM 0 HA PHE A 4 10.974 -0.762 -0.053 1.00 70.24 H new ATOM 0 HB2 PHE A 4 10.260 -3.062 -0.215 1.00 33.05 H new ATOM 0 HB3 PHE A 4 9.731 -2.853 -1.873 1.00 33.05 H new ATOM 0 HD1 PHE A 4 12.662 -3.203 0.323 1.00 71.20 H new ATOM 0 HD2 PHE A 4 11.317 -2.867 -3.706 1.00 4.42 H new ATOM 0 HE1 PHE A 4 14.872 -3.924 -0.472 1.00 62.43 H new ATOM 0 HE2 PHE A 4 13.526 -3.589 -4.504 1.00 4.41 H new ATOM 0 HZ PHE A 4 15.309 -4.115 -2.889 1.00 43.32 H new ATOM 55 N LEU A 5 10.307 -0.520 -3.292 1.00 71.13 N ATOM 56 CA LEU A 5 10.730 0.129 -4.528 1.00 72.04 C ATOM 57 C LEU A 5 10.797 1.643 -4.353 1.00 72.33 C ATOM 58 O LEU A 5 11.574 2.323 -5.023 1.00 65.42 O ATOM 59 CB LEU A 5 9.770 -0.222 -5.666 1.00 73.23 C ATOM 60 CG LEU A 5 9.899 -1.633 -6.242 1.00 35.01 C ATOM 61 CD1 LEU A 5 8.530 -2.281 -6.377 1.00 75.24 C ATOM 62 CD2 LEU A 5 10.609 -1.597 -7.587 1.00 24.51 C ATOM 0 H LEU A 5 9.511 -1.149 -3.397 1.00 71.13 H new ATOM 0 HA LEU A 5 11.727 -0.234 -4.777 1.00 72.04 H new ATOM 0 HB2 LEU A 5 8.749 -0.090 -5.307 1.00 73.23 H new ATOM 0 HB3 LEU A 5 9.919 0.494 -6.474 1.00 73.23 H new ATOM 0 HG LEU A 5 10.496 -2.232 -5.555 1.00 35.01 H new ATOM 0 HD11 LEU A 5 8.641 -3.284 -6.788 1.00 75.24 H new ATOM 0 HD12 LEU A 5 8.058 -2.341 -5.397 1.00 75.24 H new ATOM 0 HD13 LEU A 5 7.908 -1.683 -7.043 1.00 75.24 H new ATOM 0 HD21 LEU A 5 10.692 -2.610 -7.982 1.00 24.51 H new ATOM 0 HD22 LEU A 5 10.039 -0.982 -8.283 1.00 24.51 H new ATOM 0 HD23 LEU A 5 11.606 -1.174 -7.461 1.00 24.51 H new ATOM 74 N LYS A 6 9.978 2.165 -3.447 1.00 32.03 N ATOM 75 CA LYS A 6 9.945 3.598 -3.179 1.00 43.04 C ATOM 76 C LYS A 6 11.172 4.031 -2.383 1.00 31.24 C ATOM 77 O LYS A 6 11.889 4.950 -2.779 1.00 23.45 O ATOM 78 CB LYS A 6 8.672 3.966 -2.415 1.00 54.53 C ATOM 79 CG LYS A 6 8.168 5.368 -2.712 1.00 43.51 C ATOM 80 CD LYS A 6 7.233 5.868 -1.623 1.00 65.51 C ATOM 81 CE LYS A 6 7.997 6.248 -0.364 1.00 23.30 C ATOM 82 NZ LYS A 6 7.082 6.651 0.740 1.00 62.45 N ATOM 0 H LYS A 6 9.327 1.616 -2.885 1.00 32.03 H new ATOM 0 HA LYS A 6 9.951 4.121 -4.135 1.00 43.04 H new ATOM 0 HB2 LYS A 6 7.890 3.248 -2.662 1.00 54.53 H new ATOM 0 HB3 LYS A 6 8.861 3.876 -1.345 1.00 54.53 H new ATOM 0 HG2 LYS A 6 9.015 6.048 -2.806 1.00 43.51 H new ATOM 0 HG3 LYS A 6 7.648 5.373 -3.670 1.00 43.51 H new ATOM 0 HD2 LYS A 6 6.677 6.732 -1.987 1.00 65.51 H new ATOM 0 HD3 LYS A 6 6.502 5.095 -1.387 1.00 65.51 H new ATOM 0 HE2 LYS A 6 8.607 5.404 -0.041 1.00 23.30 H new ATOM 0 HE3 LYS A 6 8.680 7.068 -0.587 1.00 23.30 H new ATOM 0 HZ1 LYS A 6 7.564 6.526 1.653 1.00 62.45 H new ATOM 0 HZ2 LYS A 6 6.815 7.649 0.623 1.00 62.45 H new ATOM 0 HZ3 LYS A 6 6.227 6.059 0.716 1.00 62.45 H new ATOM 96 N VAL A 7 11.408 3.362 -1.258 1.00 70.04 N ATOM 97 CA VAL A 7 12.549 3.676 -0.407 1.00 65.14 C ATOM 98 C VAL A 7 13.864 3.370 -1.116 1.00 40.24 C ATOM 99 O VAL A 7 14.900 3.960 -0.809 1.00 13.40 O ATOM 100 CB VAL A 7 12.497 2.888 0.915 1.00 10.32 C ATOM 101 CG1 VAL A 7 11.286 3.303 1.736 1.00 13.23 C ATOM 102 CG2 VAL A 7 12.480 1.392 0.643 1.00 33.32 C ATOM 0 H VAL A 7 10.824 2.599 -0.915 1.00 70.04 H new ATOM 0 HA VAL A 7 12.496 4.743 -0.188 1.00 65.14 H new ATOM 0 HB VAL A 7 13.393 3.119 1.491 1.00 10.32 H new ATOM 0 HG11 VAL A 7 11.266 2.736 2.667 1.00 13.23 H new ATOM 0 HG12 VAL A 7 11.347 4.368 1.961 1.00 13.23 H new ATOM 0 HG13 VAL A 7 10.377 3.103 1.169 1.00 13.23 H new ATOM 0 HG21 VAL A 7 12.443 0.851 1.588 1.00 33.32 H new ATOM 0 HG22 VAL A 7 11.603 1.141 0.047 1.00 33.32 H new ATOM 0 HG23 VAL A 7 13.382 1.111 0.099 1.00 33.32 H new ATOM 112 N VAL A 8 13.815 2.444 -2.068 1.00 61.53 N ATOM 113 CA VAL A 8 15.002 2.060 -2.823 1.00 71.23 C ATOM 114 C VAL A 8 15.285 3.053 -3.945 1.00 32.03 C ATOM 115 O VAL A 8 16.419 3.176 -4.406 1.00 70.53 O ATOM 116 CB VAL A 8 14.852 0.650 -3.426 1.00 41.42 C ATOM 117 CG1 VAL A 8 16.071 0.296 -4.265 1.00 35.11 C ATOM 118 CG2 VAL A 8 14.634 -0.378 -2.327 1.00 75.42 C ATOM 0 H VAL A 8 12.966 1.946 -2.335 1.00 61.53 H new ATOM 0 HA VAL A 8 15.837 2.061 -2.122 1.00 71.23 H new ATOM 0 HB VAL A 8 13.978 0.643 -4.077 1.00 41.42 H new ATOM 0 HG11 VAL A 8 15.947 -0.703 -4.683 1.00 35.11 H new ATOM 0 HG12 VAL A 8 16.177 1.018 -5.075 1.00 35.11 H new ATOM 0 HG13 VAL A 8 16.963 0.320 -3.639 1.00 35.11 H new ATOM 0 HG21 VAL A 8 14.530 -1.368 -2.770 1.00 75.42 H new ATOM 0 HG22 VAL A 8 15.487 -0.372 -1.649 1.00 75.42 H new ATOM 0 HG23 VAL A 8 13.728 -0.132 -1.773 1.00 75.42 H new ATOM 128 N GLN A 9 14.246 3.760 -4.378 1.00 31.04 N ATOM 129 CA GLN A 9 14.383 4.743 -5.446 1.00 22.12 C ATOM 130 C GLN A 9 15.254 5.913 -5.000 1.00 50.11 C ATOM 131 O GLN A 9 15.946 6.530 -5.811 1.00 51.12 O ATOM 132 CB GLN A 9 13.007 5.252 -5.879 1.00 64.24 C ATOM 133 CG GLN A 9 12.336 4.375 -6.924 1.00 32.23 C ATOM 134 CD GLN A 9 12.610 4.840 -8.340 1.00 51.22 C ATOM 135 OE1 GLN A 9 13.327 4.182 -9.094 1.00 70.04 O ATOM 136 NE2 GLN A 9 12.039 5.981 -8.710 1.00 32.51 N ATOM 0 H GLN A 9 13.301 3.670 -4.006 1.00 31.04 H new ATOM 0 HA GLN A 9 14.866 4.257 -6.294 1.00 22.12 H new ATOM 0 HB2 GLN A 9 12.361 5.319 -5.003 1.00 64.24 H new ATOM 0 HB3 GLN A 9 13.111 6.262 -6.276 1.00 64.24 H new ATOM 0 HG2 GLN A 9 12.684 3.349 -6.809 1.00 32.23 H new ATOM 0 HG3 GLN A 9 11.260 4.368 -6.750 1.00 32.23 H new ATOM 0 HE21 GLN A 9 11.452 6.494 -8.052 1.00 32.51 H new ATOM 0 HE22 GLN A 9 12.188 6.344 -9.652 1.00 32.51 H new ATOM 145 N LEU A 10 15.215 6.214 -3.707 1.00 30.02 N ATOM 146 CA LEU A 10 16.001 7.311 -3.153 1.00 14.15 C ATOM 147 C LEU A 10 17.489 6.980 -3.174 1.00 23.25 C ATOM 148 O LEU A 10 18.332 7.867 -3.312 1.00 40.41 O ATOM 149 CB LEU A 10 15.554 7.612 -1.721 1.00 14.11 C ATOM 150 CG LEU A 10 14.296 8.470 -1.577 1.00 21.03 C ATOM 151 CD1 LEU A 10 14.488 9.817 -2.255 1.00 5.51 C ATOM 152 CD2 LEU A 10 13.088 7.747 -2.155 1.00 42.31 C ATOM 0 H LEU A 10 14.648 5.714 -3.022 1.00 30.02 H new ATOM 0 HA LEU A 10 15.835 8.193 -3.772 1.00 14.15 H new ATOM 0 HB2 LEU A 10 15.385 6.665 -1.208 1.00 14.11 H new ATOM 0 HB3 LEU A 10 16.372 8.113 -1.204 1.00 14.11 H new ATOM 0 HG LEU A 10 14.117 8.643 -0.516 1.00 21.03 H new ATOM 0 HD11 LEU A 10 13.583 10.413 -2.142 1.00 5.51 H new ATOM 0 HD12 LEU A 10 15.327 10.340 -1.795 1.00 5.51 H new ATOM 0 HD13 LEU A 10 14.693 9.665 -3.315 1.00 5.51 H new ATOM 0 HD21 LEU A 10 12.202 8.372 -2.044 1.00 42.31 H new ATOM 0 HD22 LEU A 10 13.258 7.543 -3.212 1.00 42.31 H new ATOM 0 HD23 LEU A 10 12.938 6.807 -1.624 1.00 42.31 H new ATOM 164 N LEU A 11 17.806 5.697 -3.037 1.00 65.03 N ATOM 165 CA LEU A 11 19.194 5.247 -3.043 1.00 2.20 C ATOM 166 C LEU A 11 19.873 5.592 -4.365 1.00 1.35 C ATOM 167 O LEU A 11 21.100 5.627 -4.453 1.00 0.32 O ATOM 168 CB LEU A 11 19.263 3.738 -2.800 1.00 11.51 C ATOM 169 CG LEU A 11 19.148 3.287 -1.343 1.00 41.44 C ATOM 170 CD1 LEU A 11 20.256 3.905 -0.504 1.00 50.04 C ATOM 171 CD2 LEU A 11 17.783 3.651 -0.778 1.00 52.24 C ATOM 0 H LEU A 11 17.121 4.950 -2.920 1.00 65.03 H new ATOM 0 HA LEU A 11 19.720 5.763 -2.240 1.00 2.20 H new ATOM 0 HB2 LEU A 11 18.466 3.261 -3.371 1.00 11.51 H new ATOM 0 HB3 LEU A 11 20.207 3.368 -3.200 1.00 11.51 H new ATOM 0 HG LEU A 11 19.256 2.203 -1.309 1.00 41.44 H new ATOM 0 HD11 LEU A 11 20.158 3.573 0.530 1.00 50.04 H new ATOM 0 HD12 LEU A 11 21.225 3.594 -0.895 1.00 50.04 H new ATOM 0 HD13 LEU A 11 20.180 4.992 -0.545 1.00 50.04 H new ATOM 0 HD21 LEU A 11 17.719 3.322 0.259 1.00 52.24 H new ATOM 0 HD22 LEU A 11 17.646 4.731 -0.826 1.00 52.24 H new ATOM 0 HD23 LEU A 11 17.005 3.160 -1.362 1.00 52.24 H new ATOM 183 N ALA A 12 19.066 5.848 -5.389 1.00 44.51 N ATOM 184 CA ALA A 12 19.589 6.195 -6.705 1.00 0.32 C ATOM 185 C ALA A 12 20.405 7.482 -6.650 1.00 12.43 C ATOM 186 O ALA A 12 21.303 7.696 -7.464 1.00 50.23 O ATOM 187 CB ALA A 12 18.451 6.332 -7.706 1.00 21.24 C ATOM 0 H ALA A 12 18.048 5.822 -5.333 1.00 44.51 H new ATOM 0 HA ALA A 12 20.249 5.391 -7.030 1.00 0.32 H new ATOM 0 HB1 ALA A 12 18.856 6.591 -8.684 1.00 21.24 H new ATOM 0 HB2 ALA A 12 17.912 5.387 -7.775 1.00 21.24 H new ATOM 0 HB3 ALA A 12 17.769 7.116 -7.376 1.00 21.24 H new ATOM 193 N LYS A 13 20.086 8.338 -5.684 1.00 45.35 N ATOM 194 CA LYS A 13 20.790 9.605 -5.522 1.00 12.12 C ATOM 195 C LYS A 13 22.171 9.386 -4.913 1.00 43.23 C ATOM 196 O LYS A 13 23.107 10.137 -5.188 1.00 43.33 O ATOM 197 CB LYS A 13 19.976 10.554 -4.639 1.00 23.14 C ATOM 198 CG LYS A 13 20.032 10.207 -3.161 1.00 1.21 C ATOM 199 CD LYS A 13 21.131 10.977 -2.448 1.00 42.44 C ATOM 200 CE LYS A 13 20.620 12.302 -1.903 1.00 31.23 C ATOM 201 NZ LYS A 13 20.685 13.384 -2.923 1.00 54.33 N ATOM 0 H LYS A 13 19.345 8.177 -5.002 1.00 45.35 H new ATOM 0 HA LYS A 13 20.914 10.052 -6.508 1.00 12.12 H new ATOM 0 HB2 LYS A 13 20.342 11.571 -4.779 1.00 23.14 H new ATOM 0 HB3 LYS A 13 18.937 10.541 -4.968 1.00 23.14 H new ATOM 0 HG2 LYS A 13 19.071 10.430 -2.697 1.00 1.21 H new ATOM 0 HG3 LYS A 13 20.202 9.137 -3.044 1.00 1.21 H new ATOM 0 HD2 LYS A 13 21.527 10.375 -1.630 1.00 42.44 H new ATOM 0 HD3 LYS A 13 21.955 11.160 -3.138 1.00 42.44 H new ATOM 0 HE2 LYS A 13 19.590 12.183 -1.565 1.00 31.23 H new ATOM 0 HE3 LYS A 13 21.210 12.588 -1.032 1.00 31.23 H new ATOM 0 HZ1 LYS A 13 20.660 14.310 -2.449 1.00 54.33 H new ATOM 0 HZ2 LYS A 13 21.568 13.296 -3.466 1.00 54.33 H new ATOM 0 HZ3 LYS A 13 19.873 13.303 -3.567 1.00 54.33 H new ATOM 215 N TYR A 14 22.292 8.353 -4.087 1.00 52.03 N ATOM 216 CA TYR A 14 23.559 8.036 -3.439 1.00 50.24 C ATOM 217 C TYR A 14 24.629 7.697 -4.473 1.00 2.15 C ATOM 218 O TYR A 14 25.823 7.863 -4.224 1.00 54.03 O ATOM 219 CB TYR A 14 23.382 6.867 -2.470 1.00 33.43 C ATOM 220 CG TYR A 14 22.783 7.267 -1.141 1.00 12.55 C ATOM 221 CD1 TYR A 14 21.420 7.506 -1.014 1.00 53.34 C ATOM 222 CD2 TYR A 14 23.580 7.408 -0.011 1.00 53.52 C ATOM 223 CE1 TYR A 14 20.868 7.874 0.198 1.00 61.52 C ATOM 224 CE2 TYR A 14 23.036 7.774 1.205 1.00 25.22 C ATOM 225 CZ TYR A 14 21.680 8.005 1.305 1.00 44.44 C ATOM 226 OH TYR A 14 21.136 8.371 2.514 1.00 33.13 O ATOM 0 H TYR A 14 21.528 7.720 -3.850 1.00 52.03 H new ATOM 0 HA TYR A 14 23.883 8.915 -2.881 1.00 50.24 H new ATOM 0 HB2 TYR A 14 22.745 6.115 -2.934 1.00 33.43 H new ATOM 0 HB3 TYR A 14 24.352 6.400 -2.296 1.00 33.43 H new ATOM 0 HD1 TYR A 14 20.781 7.402 -1.878 1.00 53.34 H new ATOM 0 HD2 TYR A 14 24.642 7.228 -0.085 1.00 53.52 H new ATOM 0 HE1 TYR A 14 19.807 8.058 0.278 1.00 61.52 H new ATOM 0 HE2 TYR A 14 23.670 7.879 2.073 1.00 25.22 H new ATOM 0 HH TYR A 14 21.844 8.417 3.191 1.00 33.13 H new ATOM 236 N GLY A 15 24.191 7.221 -5.634 1.00 64.13 N ATOM 237 CA GLY A 15 25.123 6.866 -6.689 1.00 10.11 C ATOM 238 C GLY A 15 24.950 5.435 -7.159 1.00 15.35 C ATOM 239 O GLY A 15 25.913 4.788 -7.567 1.00 25.44 O ATOM 0 H GLY A 15 23.208 7.075 -5.863 1.00 64.13 H new ATOM 0 HA2 GLY A 15 24.986 7.541 -7.533 1.00 10.11 H new ATOM 0 HA3 GLY A 15 26.143 7.007 -6.331 1.00 10.11 H new ATOM 243 N SER A 16 23.718 4.940 -7.099 1.00 75.15 N ATOM 244 CA SER A 16 23.422 3.574 -7.517 1.00 11.40 C ATOM 245 C SER A 16 24.353 2.582 -6.828 1.00 22.13 C ATOM 246 O SER A 16 24.674 1.528 -7.377 1.00 75.24 O ATOM 247 CB SER A 16 23.552 3.443 -9.036 1.00 2.43 C ATOM 248 OG SER A 16 22.468 4.073 -9.697 1.00 24.12 O ATOM 0 H SER A 16 22.909 5.464 -6.765 1.00 75.15 H new ATOM 0 HA SER A 16 22.397 3.345 -7.227 1.00 11.40 H new ATOM 0 HB2 SER A 16 24.491 3.890 -9.364 1.00 2.43 H new ATOM 0 HB3 SER A 16 23.587 2.389 -9.312 1.00 2.43 H new ATOM 0 HG SER A 16 22.575 3.977 -10.666 1.00 24.12 H new ATOM 254 N LYS A 17 24.785 2.927 -5.619 1.00 62.35 N ATOM 255 CA LYS A 17 25.679 2.068 -4.852 1.00 20.31 C ATOM 256 C LYS A 17 24.960 1.476 -3.644 1.00 21.41 C ATOM 257 O LYS A 17 24.875 0.257 -3.496 1.00 61.24 O ATOM 258 CB LYS A 17 26.907 2.856 -4.392 1.00 3.22 C ATOM 259 CG LYS A 17 28.050 2.841 -5.393 1.00 32.25 C ATOM 260 CD LYS A 17 29.049 3.951 -5.115 1.00 3.12 C ATOM 261 CE LYS A 17 30.452 3.561 -5.555 1.00 1.13 C ATOM 262 NZ LYS A 17 31.093 2.621 -4.594 1.00 62.34 N ATOM 0 H LYS A 17 24.530 3.796 -5.150 1.00 62.35 H new ATOM 0 HA LYS A 17 26.001 1.251 -5.498 1.00 20.31 H new ATOM 0 HB2 LYS A 17 26.615 3.889 -4.202 1.00 3.22 H new ATOM 0 HB3 LYS A 17 27.259 2.445 -3.446 1.00 3.22 H new ATOM 0 HG2 LYS A 17 28.556 1.876 -5.354 1.00 32.25 H new ATOM 0 HG3 LYS A 17 27.653 2.952 -6.402 1.00 32.25 H new ATOM 0 HD2 LYS A 17 28.742 4.858 -5.636 1.00 3.12 H new ATOM 0 HD3 LYS A 17 29.051 4.181 -4.050 1.00 3.12 H new ATOM 0 HE2 LYS A 17 30.408 3.098 -6.541 1.00 1.13 H new ATOM 0 HE3 LYS A 17 31.065 4.457 -5.650 1.00 1.13 H new ATOM 0 HZ1 LYS A 17 32.076 2.446 -4.884 1.00 62.34 H new ATOM 0 HZ2 LYS A 17 31.082 3.037 -3.641 1.00 62.34 H new ATOM 0 HZ3 LYS A 17 30.569 1.723 -4.585 1.00 62.34 H new ATOM 276 N ALA A 18 24.443 2.346 -2.783 1.00 43.42 N ATOM 277 CA ALA A 18 23.729 1.909 -1.590 1.00 53.14 C ATOM 278 C ALA A 18 22.475 1.123 -1.959 1.00 22.33 C ATOM 279 O ALA A 18 21.988 0.309 -1.174 1.00 60.53 O ATOM 280 CB ALA A 18 23.367 3.106 -0.723 1.00 64.02 C ATOM 0 H ALA A 18 24.505 3.358 -2.890 1.00 43.42 H new ATOM 0 HA ALA A 18 24.387 1.250 -1.024 1.00 53.14 H new ATOM 0 HB1 ALA A 18 22.834 2.765 0.164 1.00 64.02 H new ATOM 0 HB2 ALA A 18 24.277 3.626 -0.422 1.00 64.02 H new ATOM 0 HB3 ALA A 18 22.731 3.786 -1.289 1.00 64.02 H new ATOM 286 N VAL A 19 21.957 1.372 -3.157 1.00 72.31 N ATOM 287 CA VAL A 19 20.760 0.686 -3.630 1.00 13.43 C ATOM 288 C VAL A 19 21.005 -0.811 -3.773 1.00 75.50 C ATOM 289 O VAL A 19 20.102 -1.620 -3.560 1.00 72.44 O ATOM 290 CB VAL A 19 20.288 1.250 -4.983 1.00 54.20 C ATOM 291 CG1 VAL A 19 21.393 1.142 -6.022 1.00 5.12 C ATOM 292 CG2 VAL A 19 19.033 0.529 -5.451 1.00 54.34 C ATOM 0 H VAL A 19 22.347 2.044 -3.818 1.00 72.31 H new ATOM 0 HA VAL A 19 19.983 0.854 -2.884 1.00 13.43 H new ATOM 0 HB VAL A 19 20.047 2.305 -4.853 1.00 54.20 H new ATOM 0 HG11 VAL A 19 21.041 1.546 -6.971 1.00 5.12 H new ATOM 0 HG12 VAL A 19 22.263 1.707 -5.688 1.00 5.12 H new ATOM 0 HG13 VAL A 19 21.669 0.096 -6.153 1.00 5.12 H new ATOM 0 HG21 VAL A 19 18.713 0.940 -6.409 1.00 54.34 H new ATOM 0 HG22 VAL A 19 19.245 -0.534 -5.565 1.00 54.34 H new ATOM 0 HG23 VAL A 19 18.240 0.664 -4.715 1.00 54.34 H new ATOM 302 N GLN A 20 22.231 -1.173 -4.134 1.00 63.14 N ATOM 303 CA GLN A 20 22.595 -2.575 -4.306 1.00 54.33 C ATOM 304 C GLN A 20 22.216 -3.390 -3.075 1.00 33.34 C ATOM 305 O GLN A 20 21.545 -4.417 -3.180 1.00 53.24 O ATOM 306 CB GLN A 20 24.094 -2.705 -4.578 1.00 24.25 C ATOM 307 CG GLN A 20 24.558 -4.142 -4.751 1.00 64.34 C ATOM 308 CD GLN A 20 24.177 -4.720 -6.100 1.00 51.42 C ATOM 309 OE1 GLN A 20 24.222 -4.029 -7.119 1.00 32.40 O ATOM 310 NE2 GLN A 20 23.799 -5.992 -6.114 1.00 73.41 N ATOM 0 H GLN A 20 22.990 -0.515 -4.313 1.00 63.14 H new ATOM 0 HA GLN A 20 22.043 -2.966 -5.161 1.00 54.33 H new ATOM 0 HB2 GLN A 20 24.342 -2.141 -5.477 1.00 24.25 H new ATOM 0 HB3 GLN A 20 24.645 -2.251 -3.755 1.00 24.25 H new ATOM 0 HG2 GLN A 20 25.641 -4.187 -4.634 1.00 64.34 H new ATOM 0 HG3 GLN A 20 24.126 -4.757 -3.961 1.00 64.34 H new ATOM 0 HE21 GLN A 20 23.777 -6.527 -5.246 1.00 73.41 H new ATOM 0 HE22 GLN A 20 23.531 -6.435 -6.993 1.00 73.41 H new ATOM 319 N TRP A 21 22.650 -2.927 -1.908 1.00 62.03 N ATOM 320 CA TRP A 21 22.357 -3.614 -0.656 1.00 35.52 C ATOM 321 C TRP A 21 20.861 -3.878 -0.517 1.00 62.32 C ATOM 322 O TRP A 21 20.440 -5.012 -0.290 1.00 3.04 O ATOM 323 CB TRP A 21 22.853 -2.789 0.532 1.00 44.52 C ATOM 324 CG TRP A 21 22.792 -3.526 1.835 1.00 12.33 C ATOM 325 CD1 TRP A 21 23.528 -4.618 2.195 1.00 61.44 C ATOM 326 CD2 TRP A 21 21.947 -3.224 2.951 1.00 34.40 C ATOM 327 NE1 TRP A 21 23.191 -5.015 3.467 1.00 45.55 N ATOM 328 CE2 TRP A 21 22.224 -4.175 3.953 1.00 63.13 C ATOM 329 CE3 TRP A 21 20.984 -2.243 3.202 1.00 21.03 C ATOM 330 CZ2 TRP A 21 21.572 -4.172 5.183 1.00 45.30 C ATOM 331 CZ3 TRP A 21 20.338 -2.241 4.424 1.00 72.22 C ATOM 332 CH2 TRP A 21 20.635 -3.200 5.402 1.00 54.31 C ATOM 0 H TRP A 21 23.206 -2.078 -1.803 1.00 62.03 H new ATOM 0 HA TRP A 21 22.877 -4.572 -0.667 1.00 35.52 H new ATOM 0 HB2 TRP A 21 23.881 -2.480 0.346 1.00 44.52 H new ATOM 0 HB3 TRP A 21 22.256 -1.880 0.609 1.00 44.52 H new ATOM 0 HD1 TRP A 21 24.267 -5.099 1.572 1.00 61.44 H new ATOM 0 HE1 TRP A 21 23.595 -5.806 3.968 1.00 45.55 H new ATOM 0 HE3 TRP A 21 20.749 -1.500 2.455 1.00 21.03 H new ATOM 0 HZ2 TRP A 21 21.798 -4.911 5.938 1.00 45.30 H new ATOM 0 HZ3 TRP A 21 19.592 -1.488 4.629 1.00 72.22 H new ATOM 0 HH2 TRP A 21 20.114 -3.171 6.347 1.00 54.31 H new ATOM 343 N ALA A 22 20.063 -2.825 -0.656 1.00 44.52 N ATOM 344 CA ALA A 22 18.615 -2.944 -0.549 1.00 13.24 C ATOM 345 C ALA A 22 18.083 -4.031 -1.477 1.00 11.25 C ATOM 346 O ALA A 22 17.056 -4.650 -1.198 1.00 23.23 O ATOM 347 CB ALA A 22 17.951 -1.611 -0.860 1.00 12.54 C ATOM 0 H ALA A 22 20.396 -1.879 -0.843 1.00 44.52 H new ATOM 0 HA ALA A 22 18.374 -3.227 0.476 1.00 13.24 H new ATOM 0 HB1 ALA A 22 16.869 -1.715 -0.776 1.00 12.54 H new ATOM 0 HB2 ALA A 22 18.299 -0.858 -0.153 1.00 12.54 H new ATOM 0 HB3 ALA A 22 18.208 -1.304 -1.874 1.00 12.54 H new ATOM 353 N TRP A 23 18.787 -4.257 -2.580 1.00 0.44 N ATOM 354 CA TRP A 23 18.384 -5.269 -3.549 1.00 64.22 C ATOM 355 C TRP A 23 18.926 -6.641 -3.161 1.00 15.44 C ATOM 356 O TRP A 23 18.302 -7.665 -3.437 1.00 42.11 O ATOM 357 CB TRP A 23 18.877 -4.890 -4.947 1.00 75.40 C ATOM 358 CG TRP A 23 17.910 -4.030 -5.704 1.00 63.52 C ATOM 359 CD1 TRP A 23 17.905 -2.666 -5.771 1.00 65.51 C ATOM 360 CD2 TRP A 23 16.807 -4.477 -6.500 1.00 20.21 C ATOM 361 NE1 TRP A 23 16.865 -2.238 -6.561 1.00 25.24 N ATOM 362 CE2 TRP A 23 16.177 -3.330 -7.020 1.00 42.33 C ATOM 363 CE3 TRP A 23 16.291 -5.734 -6.825 1.00 61.51 C ATOM 364 CZ2 TRP A 23 15.059 -3.405 -7.846 1.00 15.32 C ATOM 365 CZ3 TRP A 23 15.181 -5.807 -7.644 1.00 74.22 C ATOM 366 CH2 TRP A 23 14.575 -4.649 -8.148 1.00 15.52 C ATOM 0 H TRP A 23 19.639 -3.753 -2.826 1.00 0.44 H new ATOM 0 HA TRP A 23 17.295 -5.317 -3.555 1.00 64.22 H new ATOM 0 HB2 TRP A 23 19.828 -4.365 -4.859 1.00 75.40 H new ATOM 0 HB3 TRP A 23 19.067 -5.800 -5.517 1.00 75.40 H new ATOM 0 HD1 TRP A 23 18.614 -2.019 -5.276 1.00 65.51 H new ATOM 0 HE1 TRP A 23 16.642 -1.265 -6.771 1.00 25.24 H new ATOM 0 HE3 TRP A 23 16.752 -6.633 -6.443 1.00 61.51 H new ATOM 0 HZ2 TRP A 23 14.590 -2.513 -8.235 1.00 15.32 H new ATOM 0 HZ3 TRP A 23 14.773 -6.774 -7.900 1.00 74.22 H new ATOM 0 HH2 TRP A 23 13.709 -4.740 -8.787 1.00 15.52 H new ATOM 377 N ALA A 24 20.089 -6.653 -2.518 1.00 12.31 N ATOM 378 CA ALA A 24 20.712 -7.899 -2.090 1.00 11.25 C ATOM 379 C ALA A 24 19.892 -8.575 -0.996 1.00 2.23 C ATOM 380 O ALA A 24 19.509 -9.737 -1.123 1.00 53.32 O ATOM 381 CB ALA A 24 22.131 -7.640 -1.605 1.00 13.13 C ATOM 0 H ALA A 24 20.619 -5.814 -2.282 1.00 12.31 H new ATOM 0 HA ALA A 24 20.750 -8.571 -2.947 1.00 11.25 H new ATOM 0 HB1 ALA A 24 22.584 -8.579 -1.288 1.00 13.13 H new ATOM 0 HB2 ALA A 24 22.719 -7.208 -2.415 1.00 13.13 H new ATOM 0 HB3 ALA A 24 22.107 -6.947 -0.764 1.00 13.13 H new ATOM 387 N ASN A 25 19.628 -7.839 0.079 1.00 31.43 N ATOM 388 CA ASN A 25 18.854 -8.369 1.196 1.00 24.25 C ATOM 389 C ASN A 25 17.394 -8.569 0.801 1.00 4.11 C ATOM 390 O ASN A 25 16.942 -9.696 0.602 1.00 70.51 O ATOM 391 CB ASN A 25 18.945 -7.427 2.399 1.00 55.04 C ATOM 392 CG ASN A 25 20.254 -7.572 3.150 1.00 72.01 C ATOM 393 OD1 ASN A 25 20.274 -7.981 4.311 1.00 61.21 O ATOM 394 ND2 ASN A 25 21.355 -7.236 2.489 1.00 45.11 N ATOM 0 H ASN A 25 19.938 -6.875 0.200 1.00 31.43 H new ATOM 0 HA ASN A 25 19.273 -9.338 1.469 1.00 24.25 H new ATOM 0 HB2 ASN A 25 18.837 -6.397 2.059 1.00 55.04 H new ATOM 0 HB3 ASN A 25 18.116 -7.628 3.078 1.00 55.04 H new ATOM 0 HD21 ASN A 25 22.265 -7.312 2.943 1.00 45.11 H new ATOM 0 HD22 ASN A 25 21.291 -6.902 1.527 1.00 45.11 H new ATOM 401 N LYS A 26 16.662 -7.466 0.689 1.00 74.35 N ATOM 402 CA LYS A 26 15.253 -7.518 0.315 1.00 1.11 C ATOM 403 C LYS A 26 14.466 -8.399 1.280 1.00 2.34 C ATOM 404 O LYS A 26 13.617 -9.186 0.866 1.00 72.04 O ATOM 405 CB LYS A 26 15.102 -8.047 -1.113 1.00 50.41 C ATOM 406 CG LYS A 26 13.999 -7.362 -1.902 1.00 4.42 C ATOM 407 CD LYS A 26 13.636 -8.147 -3.151 1.00 22.44 C ATOM 408 CE LYS A 26 12.322 -7.668 -3.748 1.00 62.22 C ATOM 409 NZ LYS A 26 11.155 -8.073 -2.917 1.00 54.03 N ATOM 0 H LYS A 26 17.021 -6.525 0.852 1.00 74.35 H new ATOM 0 HA LYS A 26 14.852 -6.506 0.365 1.00 1.11 H new ATOM 0 HB2 LYS A 26 16.047 -7.920 -1.641 1.00 50.41 H new ATOM 0 HB3 LYS A 26 14.899 -9.117 -1.076 1.00 50.41 H new ATOM 0 HG2 LYS A 26 13.116 -7.250 -1.273 1.00 4.42 H new ATOM 0 HG3 LYS A 26 14.320 -6.359 -2.182 1.00 4.42 H new ATOM 0 HD2 LYS A 26 14.431 -8.045 -3.890 1.00 22.44 H new ATOM 0 HD3 LYS A 26 13.561 -9.207 -2.907 1.00 22.44 H new ATOM 0 HE2 LYS A 26 12.341 -6.582 -3.843 1.00 62.22 H new ATOM 0 HE3 LYS A 26 12.210 -8.074 -4.753 1.00 62.22 H new ATOM 0 HZ1 LYS A 26 10.278 -7.927 -3.456 1.00 54.03 H new ATOM 0 HZ2 LYS A 26 11.242 -9.078 -2.663 1.00 54.03 H new ATOM 0 HZ3 LYS A 26 11.129 -7.498 -2.051 1.00 54.03 H new ATOM 423 N GLY A 27 14.754 -8.259 2.571 1.00 41.10 N ATOM 424 CA GLY A 27 14.063 -9.047 3.575 1.00 65.33 C ATOM 425 C GLY A 27 14.009 -8.353 4.921 1.00 51.21 C ATOM 426 O GLY A 27 12.934 -8.177 5.495 1.00 72.24 O ATOM 0 H GLY A 27 15.453 -7.614 2.939 1.00 41.10 H new ATOM 0 HA2 GLY A 27 13.048 -9.253 3.235 1.00 65.33 H new ATOM 0 HA3 GLY A 27 14.564 -10.009 3.686 1.00 65.33 H new ATOM 430 N LYS A 28 15.171 -7.958 5.429 1.00 45.45 N ATOM 431 CA LYS A 28 15.253 -7.279 6.716 1.00 5.33 C ATOM 432 C LYS A 28 14.722 -5.853 6.614 1.00 14.34 C ATOM 433 O LYS A 28 14.063 -5.359 7.530 1.00 20.24 O ATOM 434 CB LYS A 28 16.700 -7.260 7.215 1.00 21.32 C ATOM 435 CG LYS A 28 17.396 -8.606 7.112 1.00 62.30 C ATOM 436 CD LYS A 28 16.775 -9.629 8.048 1.00 14.24 C ATOM 437 CE LYS A 28 17.376 -9.546 9.443 1.00 41.40 C ATOM 438 NZ LYS A 28 18.826 -9.886 9.443 1.00 50.42 N ATOM 0 H LYS A 28 16.070 -8.097 4.968 1.00 45.45 H new ATOM 0 HA LYS A 28 14.636 -7.828 7.427 1.00 5.33 H new ATOM 0 HB2 LYS A 28 17.264 -6.524 6.642 1.00 21.32 H new ATOM 0 HB3 LYS A 28 16.713 -6.932 8.254 1.00 21.32 H new ATOM 0 HG2 LYS A 28 17.338 -8.969 6.086 1.00 62.30 H new ATOM 0 HG3 LYS A 28 18.453 -8.489 7.350 1.00 62.30 H new ATOM 0 HD2 LYS A 28 15.699 -9.466 8.104 1.00 14.24 H new ATOM 0 HD3 LYS A 28 16.925 -10.631 7.645 1.00 14.24 H new ATOM 0 HE2 LYS A 28 17.239 -8.539 9.838 1.00 41.40 H new ATOM 0 HE3 LYS A 28 16.844 -10.225 10.109 1.00 41.40 H new ATOM 0 HZ1 LYS A 28 19.094 -10.262 10.375 1.00 50.42 H new ATOM 0 HZ2 LYS A 28 19.015 -10.602 8.713 1.00 50.42 H new ATOM 0 HZ3 LYS A 28 19.383 -9.031 9.241 1.00 50.42 H new ATOM 452 N ILE A 29 15.010 -5.197 5.495 1.00 22.03 N ATOM 453 CA ILE A 29 14.558 -3.829 5.274 1.00 62.11 C ATOM 454 C ILE A 29 13.038 -3.762 5.169 1.00 24.43 C ATOM 455 O ILE A 29 12.412 -2.823 5.662 1.00 33.41 O ATOM 456 CB ILE A 29 15.176 -3.232 3.996 1.00 42.02 C ATOM 457 CG1 ILE A 29 16.703 -3.298 4.063 1.00 44.13 C ATOM 458 CG2 ILE A 29 14.711 -1.796 3.803 1.00 34.50 C ATOM 459 CD1 ILE A 29 17.387 -2.744 2.832 1.00 14.00 C ATOM 0 H ILE A 29 15.554 -5.591 4.727 1.00 22.03 H new ATOM 0 HA ILE A 29 14.886 -3.245 6.134 1.00 62.11 H new ATOM 0 HB ILE A 29 14.842 -3.819 3.141 1.00 42.02 H new ATOM 0 HG12 ILE A 29 17.044 -2.745 4.938 1.00 44.13 H new ATOM 0 HG13 ILE A 29 17.008 -4.335 4.202 1.00 44.13 H new ATOM 0 HG21 ILE A 29 15.156 -1.388 2.896 1.00 34.50 H new ATOM 0 HG22 ILE A 29 13.625 -1.774 3.716 1.00 34.50 H new ATOM 0 HG23 ILE A 29 15.018 -1.196 4.659 1.00 34.50 H new ATOM 0 HD11 ILE A 29 18.468 -2.823 2.950 1.00 14.00 H new ATOM 0 HD12 ILE A 29 17.075 -3.312 1.956 1.00 14.00 H new ATOM 0 HD13 ILE A 29 17.112 -1.697 2.703 1.00 14.00 H new ATOM 471 N LEU A 30 12.451 -4.765 4.526 1.00 33.11 N ATOM 472 CA LEU A 30 11.003 -4.822 4.358 1.00 33.30 C ATOM 473 C LEU A 30 10.294 -4.710 5.704 1.00 75.42 C ATOM 474 O LEU A 30 9.157 -4.243 5.781 1.00 43.20 O ATOM 475 CB LEU A 30 10.601 -6.125 3.664 1.00 41.23 C ATOM 476 CG LEU A 30 10.698 -6.129 2.138 1.00 73.43 C ATOM 477 CD1 LEU A 30 9.783 -5.070 1.542 1.00 65.22 C ATOM 478 CD2 LEU A 30 12.136 -5.906 1.694 1.00 70.33 C ATOM 0 H LEU A 30 12.955 -5.550 4.113 1.00 33.11 H new ATOM 0 HA LEU A 30 10.701 -3.979 3.737 1.00 33.30 H new ATOM 0 HB2 LEU A 30 11.229 -6.928 4.050 1.00 41.23 H new ATOM 0 HB3 LEU A 30 9.574 -6.361 3.944 1.00 41.23 H new ATOM 0 HG LEU A 30 10.375 -7.105 1.775 1.00 73.43 H new ATOM 0 HD11 LEU A 30 9.865 -5.088 0.455 1.00 65.22 H new ATOM 0 HD12 LEU A 30 8.752 -5.275 1.831 1.00 65.22 H new ATOM 0 HD13 LEU A 30 10.075 -4.087 1.912 1.00 65.22 H new ATOM 0 HD21 LEU A 30 12.186 -5.912 0.605 1.00 70.33 H new ATOM 0 HD22 LEU A 30 12.487 -4.944 2.068 1.00 70.33 H new ATOM 0 HD23 LEU A 30 12.767 -6.702 2.090 1.00 70.33 H new ATOM 490 N ASP A 31 10.972 -5.141 6.762 1.00 41.43 N ATOM 491 CA ASP A 31 10.409 -5.086 8.106 1.00 55.24 C ATOM 492 C ASP A 31 10.340 -3.647 8.608 1.00 23.10 C ATOM 493 O ASP A 31 9.355 -3.241 9.224 1.00 2.24 O ATOM 494 CB ASP A 31 11.242 -5.936 9.066 1.00 12.42 C ATOM 495 CG ASP A 31 10.434 -6.433 10.249 1.00 70.24 C ATOM 496 OD1 ASP A 31 9.327 -6.967 10.028 1.00 63.52 O ATOM 497 OD2 ASP A 31 10.908 -6.288 11.395 1.00 41.40 O ATOM 0 H ASP A 31 11.913 -5.533 6.715 1.00 41.43 H new ATOM 0 HA ASP A 31 9.396 -5.486 8.066 1.00 55.24 H new ATOM 0 HB2 ASP A 31 11.654 -6.789 8.527 1.00 12.42 H new ATOM 0 HB3 ASP A 31 12.086 -5.349 9.427 1.00 12.42 H new ATOM 502 N TRP A 32 11.393 -2.882 8.341 1.00 32.53 N ATOM 503 CA TRP A 32 11.453 -1.489 8.768 1.00 54.14 C ATOM 504 C TRP A 32 10.303 -0.686 8.168 1.00 64.34 C ATOM 505 O TRP A 32 9.815 0.267 8.776 1.00 73.13 O ATOM 506 CB TRP A 32 12.791 -0.867 8.364 1.00 75.55 C ATOM 507 CG TRP A 32 13.971 -1.528 9.008 1.00 22.41 C ATOM 508 CD1 TRP A 32 13.992 -2.180 10.208 1.00 74.30 C ATOM 509 CD2 TRP A 32 15.303 -1.600 8.488 1.00 42.51 C ATOM 510 NE1 TRP A 32 15.256 -2.652 10.465 1.00 21.51 N ATOM 511 CE2 TRP A 32 16.079 -2.310 9.425 1.00 71.12 C ATOM 512 CE3 TRP A 32 15.916 -1.134 7.321 1.00 34.23 C ATOM 513 CZ2 TRP A 32 17.434 -2.563 9.229 1.00 31.54 C ATOM 514 CZ3 TRP A 32 17.261 -1.386 7.129 1.00 74.30 C ATOM 515 CH2 TRP A 32 18.008 -2.096 8.078 1.00 32.24 C ATOM 0 H TRP A 32 12.216 -3.203 7.831 1.00 32.53 H new ATOM 0 HA TRP A 32 11.362 -1.463 9.854 1.00 54.14 H new ATOM 0 HB2 TRP A 32 12.898 -0.924 7.281 1.00 75.55 H new ATOM 0 HB3 TRP A 32 12.787 0.190 8.628 1.00 75.55 H new ATOM 0 HD1 TRP A 32 13.140 -2.306 10.859 1.00 74.30 H new ATOM 0 HE1 TRP A 32 15.536 -3.173 11.296 1.00 21.51 H new ATOM 0 HE3 TRP A 32 15.348 -0.587 6.583 1.00 34.23 H new ATOM 0 HZ2 TRP A 32 18.012 -3.109 9.960 1.00 31.54 H new ATOM 0 HZ3 TRP A 32 17.745 -1.029 6.232 1.00 74.30 H new ATOM 0 HH2 TRP A 32 19.057 -2.278 7.898 1.00 32.24 H new ATOM 526 N LEU A 33 9.876 -1.077 6.972 1.00 14.02 N ATOM 527 CA LEU A 33 8.782 -0.393 6.290 1.00 64.32 C ATOM 528 C LEU A 33 7.544 -0.326 7.178 1.00 51.44 C ATOM 529 O LEU A 33 6.724 0.582 7.047 1.00 34.20 O ATOM 530 CB LEU A 33 8.446 -1.108 4.980 1.00 64.02 C ATOM 531 CG LEU A 33 9.543 -1.107 3.914 1.00 10.11 C ATOM 532 CD1 LEU A 33 9.038 -1.741 2.627 1.00 14.24 C ATOM 533 CD2 LEU A 33 10.034 0.310 3.656 1.00 40.13 C ATOM 0 H LEU A 33 10.270 -1.863 6.455 1.00 14.02 H new ATOM 0 HA LEU A 33 9.104 0.625 6.069 1.00 64.32 H new ATOM 0 HB2 LEU A 33 8.191 -2.143 5.209 1.00 64.02 H new ATOM 0 HB3 LEU A 33 7.554 -0.646 4.556 1.00 64.02 H new ATOM 0 HG LEU A 33 10.381 -1.699 4.282 1.00 10.11 H new ATOM 0 HD11 LEU A 33 9.832 -1.731 1.881 1.00 14.24 H new ATOM 0 HD12 LEU A 33 8.736 -2.770 2.822 1.00 14.24 H new ATOM 0 HD13 LEU A 33 8.183 -1.177 2.254 1.00 14.24 H new ATOM 0 HD21 LEU A 33 10.814 0.292 2.895 1.00 40.13 H new ATOM 0 HD22 LEU A 33 9.204 0.925 3.310 1.00 40.13 H new ATOM 0 HD23 LEU A 33 10.436 0.729 4.578 1.00 40.13 H new ATOM 545 N ASN A 34 7.417 -1.291 8.082 1.00 70.20 N ATOM 546 CA ASN A 34 6.279 -1.340 8.993 1.00 23.21 C ATOM 547 C ASN A 34 6.718 -1.059 10.427 1.00 22.10 C ATOM 548 O ASN A 34 5.931 -0.588 11.247 1.00 52.42 O ATOM 549 CB ASN A 34 5.596 -2.707 8.916 1.00 51.13 C ATOM 550 CG ASN A 34 5.297 -3.124 7.489 1.00 52.23 C ATOM 551 OD1 ASN A 34 4.592 -2.425 6.761 1.00 51.43 O ATOM 552 ND2 ASN A 34 5.833 -4.269 7.082 1.00 12.22 N ATOM 0 H ASN A 34 8.088 -2.050 8.204 1.00 70.20 H new ATOM 0 HA ASN A 34 5.570 -0.569 8.691 1.00 23.21 H new ATOM 0 HB2 ASN A 34 6.234 -3.456 9.384 1.00 51.13 H new ATOM 0 HB3 ASN A 34 4.667 -2.679 9.486 1.00 51.13 H new ATOM 0 HD21 ASN A 34 5.666 -4.601 6.132 1.00 12.22 H new ATOM 0 HD22 ASN A 34 6.411 -4.816 7.719 1.00 12.22 H new ATOM 559 N ALA A 35 7.981 -1.352 10.722 1.00 54.43 N ATOM 560 CA ALA A 35 8.525 -1.128 12.055 1.00 24.11 C ATOM 561 C ALA A 35 8.466 0.348 12.432 1.00 44.43 C ATOM 562 O ALA A 35 7.922 0.712 13.473 1.00 55.20 O ATOM 563 CB ALA A 35 9.957 -1.638 12.133 1.00 52.13 C ATOM 0 H ALA A 35 8.646 -1.745 10.055 1.00 54.43 H new ATOM 0 HA ALA A 35 7.914 -1.682 12.767 1.00 24.11 H new ATOM 0 HB1 ALA A 35 10.351 -1.464 13.134 1.00 52.13 H new ATOM 0 HB2 ALA A 35 9.975 -2.706 11.916 1.00 52.13 H new ATOM 0 HB3 ALA A 35 10.572 -1.109 11.404 1.00 52.13 H new ATOM 569 N GLY A 36 9.032 1.196 11.577 1.00 22.42 N ATOM 570 CA GLY A 36 9.034 2.623 11.839 1.00 14.01 C ATOM 571 C GLY A 36 8.137 3.388 10.886 1.00 12.12 C ATOM 572 O GLY A 36 7.656 4.473 11.213 1.00 21.21 O ATOM 0 H GLY A 36 9.489 0.919 10.708 1.00 22.42 H new ATOM 0 HA2 GLY A 36 8.707 2.802 12.863 1.00 14.01 H new ATOM 0 HA3 GLY A 36 10.053 3.003 11.758 1.00 14.01 H new ATOM 576 N GLN A 37 7.913 2.823 9.704 1.00 32.13 N ATOM 577 CA GLN A 37 7.070 3.461 8.700 1.00 14.14 C ATOM 578 C GLN A 37 7.547 4.880 8.411 1.00 40.40 C ATOM 579 O GLN A 37 6.741 5.789 8.214 1.00 74.22 O ATOM 580 CB GLN A 37 5.613 3.486 9.168 1.00 63.42 C ATOM 581 CG GLN A 37 4.892 2.161 8.981 1.00 71.35 C ATOM 582 CD GLN A 37 3.423 2.239 9.346 1.00 53.42 C ATOM 583 OE1 GLN A 37 3.021 3.050 10.181 1.00 4.03 O ATOM 584 NE2 GLN A 37 2.611 1.396 8.720 1.00 73.52 N ATOM 0 H GLN A 37 8.303 1.925 9.418 1.00 32.13 H new ATOM 0 HA GLN A 37 7.140 2.879 7.781 1.00 14.14 H new ATOM 0 HB2 GLN A 37 5.583 3.761 10.222 1.00 63.42 H new ATOM 0 HB3 GLN A 37 5.078 4.262 8.621 1.00 63.42 H new ATOM 0 HG2 GLN A 37 4.988 1.843 7.943 1.00 71.35 H new ATOM 0 HG3 GLN A 37 5.375 1.400 9.594 1.00 71.35 H new ATOM 0 HE21 GLN A 37 2.986 0.740 8.035 1.00 73.52 H new ATOM 0 HE22 GLN A 37 1.612 1.404 8.924 1.00 73.52 H new ATOM 593 N ALA A 38 8.863 5.063 8.387 1.00 2.45 N ATOM 594 CA ALA A 38 9.448 6.372 8.121 1.00 72.34 C ATOM 595 C ALA A 38 10.754 6.241 7.345 1.00 50.35 C ATOM 596 O ALA A 38 11.709 5.625 7.818 1.00 61.20 O ATOM 597 CB ALA A 38 9.679 7.122 9.424 1.00 54.43 C ATOM 0 H ALA A 38 9.544 4.321 8.549 1.00 2.45 H new ATOM 0 HA ALA A 38 8.747 6.939 7.509 1.00 72.34 H new ATOM 0 HB1 ALA A 38 10.116 8.097 9.210 1.00 54.43 H new ATOM 0 HB2 ALA A 38 8.728 7.256 9.940 1.00 54.43 H new ATOM 0 HB3 ALA A 38 10.358 6.551 10.057 1.00 54.43 H new ATOM 603 N ILE A 39 10.788 6.824 6.151 1.00 3.20 N ATOM 604 CA ILE A 39 11.978 6.773 5.310 1.00 30.13 C ATOM 605 C ILE A 39 13.214 7.231 6.078 1.00 74.14 C ATOM 606 O ILE A 39 14.245 6.559 6.072 1.00 31.53 O ATOM 607 CB ILE A 39 11.816 7.646 4.052 1.00 61.21 C ATOM 608 CG1 ILE A 39 10.601 7.190 3.241 1.00 11.24 C ATOM 609 CG2 ILE A 39 13.077 7.590 3.203 1.00 62.03 C ATOM 610 CD1 ILE A 39 10.203 8.161 2.152 1.00 52.11 C ATOM 0 H ILE A 39 10.006 7.337 5.744 1.00 3.20 H new ATOM 0 HA ILE A 39 12.106 5.734 5.007 1.00 30.13 H new ATOM 0 HB ILE A 39 11.655 8.678 4.362 1.00 61.21 H new ATOM 0 HG12 ILE A 39 10.817 6.221 2.791 1.00 11.24 H new ATOM 0 HG13 ILE A 39 9.757 7.047 3.916 1.00 11.24 H new ATOM 0 HG21 ILE A 39 12.947 8.212 2.317 1.00 62.03 H new ATOM 0 HG22 ILE A 39 13.923 7.957 3.784 1.00 62.03 H new ATOM 0 HG23 ILE A 39 13.265 6.560 2.899 1.00 62.03 H new ATOM 0 HD11 ILE A 39 9.335 7.773 1.618 1.00 52.11 H new ATOM 0 HD12 ILE A 39 9.955 9.125 2.597 1.00 52.11 H new ATOM 0 HD13 ILE A 39 11.032 8.286 1.455 1.00 52.11 H new ATOM 622 N ASP A 40 13.101 8.378 6.738 1.00 44.10 N ATOM 623 CA ASP A 40 14.209 8.925 7.513 1.00 14.43 C ATOM 624 C ASP A 40 14.705 7.913 8.541 1.00 0.20 C ATOM 625 O ASP A 40 15.866 7.946 8.948 1.00 65.34 O ATOM 626 CB ASP A 40 13.779 10.215 8.215 1.00 24.22 C ATOM 627 CG ASP A 40 13.675 11.387 7.260 1.00 44.14 C ATOM 628 OD1 ASP A 40 13.391 11.156 6.065 1.00 4.23 O ATOM 629 OD2 ASP A 40 13.877 12.536 7.706 1.00 30.40 O ATOM 0 H ASP A 40 12.254 8.947 6.752 1.00 44.10 H new ATOM 0 HA ASP A 40 15.026 9.148 6.827 1.00 14.43 H new ATOM 0 HB2 ASP A 40 12.815 10.058 8.699 1.00 24.22 H new ATOM 0 HB3 ASP A 40 14.495 10.453 9.001 1.00 24.22 H new ATOM 634 N TRP A 41 13.818 7.017 8.957 1.00 32.11 N ATOM 635 CA TRP A 41 14.166 5.996 9.939 1.00 72.34 C ATOM 636 C TRP A 41 14.851 4.809 9.270 1.00 45.30 C ATOM 637 O TRP A 41 15.626 4.090 9.902 1.00 54.31 O ATOM 638 CB TRP A 41 12.914 5.525 10.681 1.00 2.22 C ATOM 639 CG TRP A 41 13.217 4.824 11.971 1.00 50.12 C ATOM 640 CD1 TRP A 41 13.266 5.383 13.216 1.00 54.32 C ATOM 641 CD2 TRP A 41 13.515 3.434 12.141 1.00 11.11 C ATOM 642 NE1 TRP A 41 13.576 4.425 14.150 1.00 72.50 N ATOM 643 CE2 TRP A 41 13.733 3.220 13.516 1.00 12.33 C ATOM 644 CE3 TRP A 41 13.617 2.349 11.267 1.00 53.15 C ATOM 645 CZ2 TRP A 41 14.047 1.966 14.034 1.00 41.53 C ATOM 646 CZ3 TRP A 41 13.929 1.105 11.782 1.00 40.45 C ATOM 647 CH2 TRP A 41 14.140 0.922 13.155 1.00 45.05 C ATOM 0 H TRP A 41 12.853 6.976 8.630 1.00 32.11 H new ATOM 0 HA TRP A 41 14.860 6.437 10.655 1.00 72.34 H new ATOM 0 HB2 TRP A 41 12.276 6.385 10.884 1.00 2.22 H new ATOM 0 HB3 TRP A 41 12.348 4.854 10.035 1.00 2.22 H new ATOM 0 HD1 TRP A 41 13.087 6.426 13.434 1.00 54.32 H new ATOM 0 HE1 TRP A 41 13.674 4.584 15.153 1.00 72.50 H new ATOM 0 HE3 TRP A 41 13.455 2.480 10.207 1.00 53.15 H new ATOM 0 HZ2 TRP A 41 14.211 1.823 15.092 1.00 41.53 H new ATOM 0 HZ3 TRP A 41 14.012 0.260 11.115 1.00 40.45 H new ATOM 0 HH2 TRP A 41 14.381 -0.063 13.527 1.00 45.05 H new ATOM 658 N VAL A 42 14.563 4.610 7.988 1.00 74.31 N ATOM 659 CA VAL A 42 15.153 3.511 7.233 1.00 31.44 C ATOM 660 C VAL A 42 16.587 3.831 6.827 1.00 52.04 C ATOM 661 O VAL A 42 17.471 2.979 6.906 1.00 24.51 O ATOM 662 CB VAL A 42 14.331 3.192 5.970 1.00 44.20 C ATOM 663 CG1 VAL A 42 14.979 2.064 5.182 1.00 43.11 C ATOM 664 CG2 VAL A 42 12.899 2.840 6.341 1.00 12.12 C ATOM 0 H VAL A 42 13.924 5.196 7.450 1.00 74.31 H new ATOM 0 HA VAL A 42 15.150 2.640 7.888 1.00 31.44 H new ATOM 0 HB VAL A 42 14.310 4.080 5.338 1.00 44.20 H new ATOM 0 HG11 VAL A 42 14.384 1.853 4.293 1.00 43.11 H new ATOM 0 HG12 VAL A 42 15.985 2.360 4.884 1.00 43.11 H new ATOM 0 HG13 VAL A 42 15.033 1.170 5.804 1.00 43.11 H new ATOM 0 HG21 VAL A 42 12.333 2.618 5.436 1.00 12.12 H new ATOM 0 HG22 VAL A 42 12.896 1.968 6.994 1.00 12.12 H new ATOM 0 HG23 VAL A 42 12.440 3.682 6.859 1.00 12.12 H new ATOM 674 N VAL A 43 16.810 5.067 6.390 1.00 24.35 N ATOM 675 CA VAL A 43 18.138 5.501 5.972 1.00 12.33 C ATOM 676 C VAL A 43 19.104 5.529 7.151 1.00 32.24 C ATOM 677 O VAL A 43 20.298 5.273 6.995 1.00 33.01 O ATOM 678 CB VAL A 43 18.093 6.899 5.327 1.00 62.14 C ATOM 679 CG1 VAL A 43 19.459 7.275 4.772 1.00 32.01 C ATOM 680 CG2 VAL A 43 17.034 6.948 4.236 1.00 71.11 C ATOM 0 H VAL A 43 16.089 5.785 6.316 1.00 24.35 H new ATOM 0 HA VAL A 43 18.490 4.779 5.235 1.00 12.33 H new ATOM 0 HB VAL A 43 17.826 7.626 6.094 1.00 62.14 H new ATOM 0 HG11 VAL A 43 19.408 8.266 4.320 1.00 32.01 H new ATOM 0 HG12 VAL A 43 20.191 7.282 5.580 1.00 32.01 H new ATOM 0 HG13 VAL A 43 19.758 6.547 4.018 1.00 32.01 H new ATOM 0 HG21 VAL A 43 17.016 7.943 3.791 1.00 71.11 H new ATOM 0 HG22 VAL A 43 17.269 6.211 3.468 1.00 71.11 H new ATOM 0 HG23 VAL A 43 16.058 6.725 4.666 1.00 71.11 H new ATOM 690 N SER A 44 18.579 5.841 8.332 1.00 21.42 N ATOM 691 CA SER A 44 19.396 5.905 9.539 1.00 73.14 C ATOM 692 C SER A 44 19.996 4.540 9.861 1.00 3.14 C ATOM 693 O SER A 44 21.025 4.444 10.530 1.00 24.34 O ATOM 694 CB SER A 44 18.559 6.399 10.720 1.00 1.04 C ATOM 695 OG SER A 44 18.087 7.716 10.496 1.00 53.04 O ATOM 0 H SER A 44 17.592 6.053 8.479 1.00 21.42 H new ATOM 0 HA SER A 44 20.210 6.607 9.361 1.00 73.14 H new ATOM 0 HB2 SER A 44 17.714 5.728 10.876 1.00 1.04 H new ATOM 0 HB3 SER A 44 19.158 6.374 11.630 1.00 1.04 H new ATOM 0 HG SER A 44 17.328 7.691 9.877 1.00 53.04 H new ATOM 701 N LYS A 45 19.346 3.486 9.381 1.00 72.11 N ATOM 702 CA LYS A 45 19.814 2.125 9.616 1.00 51.14 C ATOM 703 C LYS A 45 20.661 1.632 8.447 1.00 72.12 C ATOM 704 O LYS A 45 20.770 0.428 8.212 1.00 22.03 O ATOM 705 CB LYS A 45 18.626 1.185 9.831 1.00 54.03 C ATOM 706 CG LYS A 45 17.754 1.568 11.014 1.00 74.11 C ATOM 707 CD LYS A 45 18.469 1.331 12.334 1.00 72.15 C ATOM 708 CE LYS A 45 18.234 -0.081 12.849 1.00 42.21 C ATOM 709 NZ LYS A 45 19.175 -1.059 12.235 1.00 13.32 N ATOM 0 H LYS A 45 18.492 3.548 8.826 1.00 72.11 H new ATOM 0 HA LYS A 45 20.432 2.130 10.514 1.00 51.14 H new ATOM 0 HB2 LYS A 45 18.015 1.173 8.929 1.00 54.03 H new ATOM 0 HB3 LYS A 45 18.998 0.171 9.978 1.00 54.03 H new ATOM 0 HG2 LYS A 45 17.473 2.618 10.935 1.00 74.11 H new ATOM 0 HG3 LYS A 45 16.831 0.988 10.990 1.00 74.11 H new ATOM 0 HD2 LYS A 45 19.538 1.499 12.205 1.00 72.15 H new ATOM 0 HD3 LYS A 45 18.119 2.052 13.073 1.00 72.15 H new ATOM 0 HE2 LYS A 45 18.350 -0.096 13.933 1.00 42.21 H new ATOM 0 HE3 LYS A 45 17.208 -0.380 12.634 1.00 42.21 H new ATOM 0 HZ1 LYS A 45 19.397 -1.806 12.923 1.00 13.32 H new ATOM 0 HZ2 LYS A 45 18.735 -1.483 11.394 1.00 13.32 H new ATOM 0 HZ3 LYS A 45 20.051 -0.571 11.959 1.00 13.32 H new ATOM 723 N ILE A 46 21.259 2.569 7.718 1.00 35.34 N ATOM 724 CA ILE A 46 22.097 2.228 6.576 1.00 25.02 C ATOM 725 C ILE A 46 23.527 2.720 6.777 1.00 14.45 C ATOM 726 O ILE A 46 24.480 2.111 6.292 1.00 74.14 O ATOM 727 CB ILE A 46 21.540 2.825 5.270 1.00 30.44 C ATOM 728 CG1 ILE A 46 20.111 2.334 5.029 1.00 12.34 C ATOM 729 CG2 ILE A 46 22.436 2.460 4.096 1.00 21.53 C ATOM 730 CD1 ILE A 46 19.485 2.891 3.770 1.00 63.04 C ATOM 0 H ILE A 46 21.178 3.570 7.898 1.00 35.34 H new ATOM 0 HA ILE A 46 22.096 1.141 6.498 1.00 25.02 H new ATOM 0 HB ILE A 46 21.521 3.911 5.363 1.00 30.44 H new ATOM 0 HG12 ILE A 46 20.114 1.245 4.973 1.00 12.34 H new ATOM 0 HG13 ILE A 46 19.493 2.607 5.884 1.00 12.34 H new ATOM 0 HG21 ILE A 46 22.029 2.889 3.180 1.00 21.53 H new ATOM 0 HG22 ILE A 46 23.438 2.853 4.267 1.00 21.53 H new ATOM 0 HG23 ILE A 46 22.484 1.375 3.998 1.00 21.53 H new ATOM 0 HD11 ILE A 46 18.473 2.500 3.663 1.00 63.04 H new ATOM 0 HD12 ILE A 46 19.450 3.979 3.832 1.00 63.04 H new ATOM 0 HD13 ILE A 46 20.081 2.596 2.906 1.00 63.04 H new ATOM 742 N LYS A 47 23.669 3.827 7.499 1.00 40.11 N ATOM 743 CA LYS A 47 24.982 4.402 7.769 1.00 72.54 C ATOM 744 C LYS A 47 25.801 3.487 8.674 1.00 75.54 C ATOM 745 O LYS A 47 27.031 3.520 8.655 1.00 14.42 O ATOM 746 CB LYS A 47 24.835 5.780 8.418 1.00 73.44 C ATOM 747 CG LYS A 47 24.363 6.857 7.457 1.00 54.22 C ATOM 748 CD LYS A 47 22.847 6.967 7.443 1.00 2.33 C ATOM 749 CE LYS A 47 22.394 8.389 7.149 1.00 3.23 C ATOM 750 NZ LYS A 47 21.000 8.634 7.611 1.00 72.21 N ATOM 0 H LYS A 47 22.891 4.344 7.908 1.00 40.11 H new ATOM 0 HA LYS A 47 25.506 4.509 6.819 1.00 72.54 H new ATOM 0 HB2 LYS A 47 24.130 5.709 9.246 1.00 73.44 H new ATOM 0 HB3 LYS A 47 25.794 6.077 8.841 1.00 73.44 H new ATOM 0 HG2 LYS A 47 24.796 7.816 7.743 1.00 54.22 H new ATOM 0 HG3 LYS A 47 24.722 6.632 6.453 1.00 54.22 H new ATOM 0 HD2 LYS A 47 22.439 6.291 6.691 1.00 2.33 H new ATOM 0 HD3 LYS A 47 22.449 6.649 8.407 1.00 2.33 H new ATOM 0 HE2 LYS A 47 23.068 9.093 7.638 1.00 3.23 H new ATOM 0 HE3 LYS A 47 22.460 8.577 6.077 1.00 3.23 H new ATOM 0 HZ1 LYS A 47 20.535 9.308 6.970 1.00 72.21 H new ATOM 0 HZ2 LYS A 47 20.472 7.738 7.613 1.00 72.21 H new ATOM 0 HZ3 LYS A 47 21.017 9.028 8.573 1.00 72.21 H new ATOM 764 N GLN A 48 25.110 2.670 9.462 1.00 32.35 N ATOM 765 CA GLN A 48 25.774 1.745 10.373 1.00 4.34 C ATOM 766 C GLN A 48 26.090 0.426 9.676 1.00 13.11 C ATOM 767 O GLN A 48 27.016 -0.286 10.064 1.00 23.01 O ATOM 768 CB GLN A 48 24.900 1.490 11.602 1.00 10.03 C ATOM 769 CG GLN A 48 23.511 0.974 11.264 1.00 54.42 C ATOM 770 CD GLN A 48 22.801 0.379 12.464 1.00 54.33 C ATOM 771 OE1 GLN A 48 22.032 1.059 13.144 1.00 35.44 O ATOM 772 NE2 GLN A 48 23.055 -0.897 12.730 1.00 51.42 N ATOM 0 H GLN A 48 24.091 2.630 9.488 1.00 32.35 H new ATOM 0 HA GLN A 48 26.712 2.200 10.691 1.00 4.34 H new ATOM 0 HB2 GLN A 48 25.399 0.769 12.249 1.00 10.03 H new ATOM 0 HB3 GLN A 48 24.806 2.416 12.169 1.00 10.03 H new ATOM 0 HG2 GLN A 48 22.912 1.791 10.861 1.00 54.42 H new ATOM 0 HG3 GLN A 48 23.589 0.219 10.481 1.00 54.42 H new ATOM 0 HE21 GLN A 48 23.699 -1.423 12.139 1.00 51.42 H new ATOM 0 HE22 GLN A 48 22.606 -1.352 13.525 1.00 51.42 H new ATOM 781 N ILE A 49 25.313 0.107 8.646 1.00 24.32 N ATOM 782 CA ILE A 49 25.511 -1.127 7.895 1.00 51.41 C ATOM 783 C ILE A 49 26.655 -0.985 6.897 1.00 62.11 C ATOM 784 O ILE A 49 27.713 -1.596 7.058 1.00 51.53 O ATOM 785 CB ILE A 49 24.233 -1.536 7.139 1.00 61.11 C ATOM 786 CG1 ILE A 49 23.028 -1.513 8.081 1.00 74.21 C ATOM 787 CG2 ILE A 49 24.403 -2.916 6.520 1.00 13.44 C ATOM 788 CD1 ILE A 49 23.198 -2.390 9.301 1.00 32.45 C ATOM 0 H ILE A 49 24.542 0.685 8.313 1.00 24.32 H new ATOM 0 HA ILE A 49 25.759 -1.902 8.620 1.00 51.41 H new ATOM 0 HB ILE A 49 24.057 -0.819 6.337 1.00 61.11 H new ATOM 0 HG12 ILE A 49 22.848 -0.487 8.403 1.00 74.21 H new ATOM 0 HG13 ILE A 49 22.142 -1.835 7.533 1.00 74.21 H new ATOM 0 HG21 ILE A 49 23.492 -3.191 5.989 1.00 13.44 H new ATOM 0 HG22 ILE A 49 25.240 -2.901 5.821 1.00 13.44 H new ATOM 0 HG23 ILE A 49 24.600 -3.645 7.306 1.00 13.44 H new ATOM 0 HD11 ILE A 49 22.306 -2.324 9.923 1.00 32.45 H new ATOM 0 HD12 ILE A 49 23.347 -3.423 8.988 1.00 32.45 H new ATOM 0 HD13 ILE A 49 24.064 -2.055 9.872 1.00 32.45 H new ATOM 800 N LEU A 50 26.438 -0.175 5.867 1.00 54.01 N ATOM 801 CA LEU A 50 27.452 0.049 4.842 1.00 14.34 C ATOM 802 C LEU A 50 28.528 1.008 5.342 1.00 54.12 C ATOM 803 O LEU A 50 29.701 0.649 5.432 1.00 73.53 O ATOM 804 CB LEU A 50 26.807 0.606 3.572 1.00 73.43 C ATOM 805 CG LEU A 50 26.253 -0.429 2.592 1.00 73.32 C ATOM 806 CD1 LEU A 50 27.386 -1.186 1.917 1.00 3.20 C ATOM 807 CD2 LEU A 50 25.317 -1.393 3.306 1.00 31.15 C ATOM 0 H LEU A 50 25.569 0.338 5.719 1.00 54.01 H new ATOM 0 HA LEU A 50 27.921 -0.908 4.614 1.00 14.34 H new ATOM 0 HB2 LEU A 50 25.995 1.273 3.863 1.00 73.43 H new ATOM 0 HB3 LEU A 50 27.546 1.213 3.049 1.00 73.43 H new ATOM 0 HG LEU A 50 25.685 0.095 1.823 1.00 73.32 H new ATOM 0 HD11 LEU A 50 26.972 -1.918 1.223 1.00 3.20 H new ATOM 0 HD12 LEU A 50 28.017 -0.485 1.371 1.00 3.20 H new ATOM 0 HD13 LEU A 50 27.982 -1.698 2.672 1.00 3.20 H new ATOM 0 HD21 LEU A 50 24.933 -2.122 2.593 1.00 31.15 H new ATOM 0 HD22 LEU A 50 25.861 -1.910 4.096 1.00 31.15 H new ATOM 0 HD23 LEU A 50 24.486 -0.838 3.741 1.00 31.15 H new ATOM 819 N GLY A 51 28.119 2.231 5.668 1.00 72.31 N ATOM 820 CA GLY A 51 29.060 3.222 6.157 1.00 74.35 C ATOM 821 C GLY A 51 29.103 4.460 5.283 1.00 20.03 C ATOM 822 O GLY A 51 30.103 5.179 5.264 1.00 74.22 O ATOM 0 H GLY A 51 27.153 2.553 5.602 1.00 72.31 H new ATOM 0 HA2 GLY A 51 28.787 3.507 7.173 1.00 74.35 H new ATOM 0 HA3 GLY A 51 30.055 2.781 6.206 1.00 74.35 H new ATOM 826 N ILE A 52 28.018 4.709 4.558 1.00 12.14 N ATOM 827 CA ILE A 52 27.937 5.869 3.679 1.00 72.41 C ATOM 828 C ILE A 52 28.134 7.164 4.458 1.00 12.51 C ATOM 829 O ILE A 52 27.557 7.352 5.530 1.00 63.42 O ATOM 830 CB ILE A 52 26.584 5.925 2.945 1.00 62.14 C ATOM 831 CG1 ILE A 52 26.602 7.025 1.881 1.00 13.14 C ATOM 832 CG2 ILE A 52 25.453 6.156 3.935 1.00 10.23 C ATOM 833 CD1 ILE A 52 27.247 6.599 0.581 1.00 34.32 C ATOM 0 H ILE A 52 27.183 4.123 4.562 1.00 12.14 H new ATOM 0 HA ILE A 52 28.736 5.765 2.945 1.00 72.41 H new ATOM 0 HB ILE A 52 26.416 4.969 2.449 1.00 62.14 H new ATOM 0 HG12 ILE A 52 25.579 7.343 1.682 1.00 13.14 H new ATOM 0 HG13 ILE A 52 27.134 7.891 2.274 1.00 13.14 H new ATOM 0 HG21 ILE A 52 24.504 6.193 3.401 1.00 10.23 H new ATOM 0 HG22 ILE A 52 25.431 5.341 4.658 1.00 10.23 H new ATOM 0 HG23 ILE A 52 25.613 7.100 4.456 1.00 10.23 H new ATOM 0 HD11 ILE A 52 27.224 7.429 -0.126 1.00 34.32 H new ATOM 0 HD12 ILE A 52 28.281 6.308 0.766 1.00 34.32 H new ATOM 0 HD13 ILE A 52 26.701 5.752 0.164 1.00 34.32 H new ATOM 845 N LYS A 53 28.951 8.058 3.912 1.00 41.42 N ATOM 846 CA LYS A 53 29.223 9.339 4.553 1.00 40.51 C ATOM 847 C LYS A 53 29.702 10.368 3.533 1.00 71.52 C ATOM 848 O LYS A 53 29.980 10.031 2.382 1.00 61.05 O ATOM 849 CB LYS A 53 30.273 9.170 5.653 1.00 21.22 C ATOM 850 CG LYS A 53 31.529 8.452 5.190 1.00 31.10 C ATOM 851 CD LYS A 53 32.650 8.577 6.208 1.00 62.01 C ATOM 852 CE LYS A 53 32.514 7.544 7.316 1.00 5.22 C ATOM 853 NZ LYS A 53 31.459 7.919 8.298 1.00 42.33 N ATOM 0 H LYS A 53 29.437 7.919 3.026 1.00 41.42 H new ATOM 0 HA LYS A 53 28.295 9.698 4.997 1.00 40.51 H new ATOM 0 HB2 LYS A 53 30.547 10.153 6.036 1.00 21.22 H new ATOM 0 HB3 LYS A 53 29.833 8.616 6.482 1.00 21.22 H new ATOM 0 HG2 LYS A 53 31.306 7.399 5.021 1.00 31.10 H new ATOM 0 HG3 LYS A 53 31.855 8.866 4.236 1.00 31.10 H new ATOM 0 HD2 LYS A 53 33.611 8.453 5.709 1.00 62.01 H new ATOM 0 HD3 LYS A 53 32.641 9.578 6.639 1.00 62.01 H new ATOM 0 HE2 LYS A 53 32.276 6.574 6.880 1.00 5.22 H new ATOM 0 HE3 LYS A 53 33.468 7.437 7.832 1.00 5.22 H new ATOM 0 HZ1 LYS A 53 31.783 7.691 9.260 1.00 42.33 H new ATOM 0 HZ2 LYS A 53 31.268 8.939 8.230 1.00 42.33 H new ATOM 0 HZ3 LYS A 53 30.588 7.389 8.092 1.00 42.33 H new TER 867 LYS A 53