USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=17 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 -167:sc= 0 (180deg=-0.258) USER MOD Single : A 1 MET N :NH3+ -161:sc= 0 (180deg=-0.31) 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= -0.243 K(o=-0.24,f=-2.9!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0577 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 152:sc=-0.00248 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -160:sc= 0 USER MOD Single : A 25 THR OG1 : rot -130:sc= -0.0114 USER MOD Single : A 28 LYS NZ :NH3+ -154:sc= -0.121 (180deg=-0.997) USER MOD Single : A 31 LYS NZ :NH3+ -168:sc= -0.128 (180deg=-0.489) USER MOD Single : A 32 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.35) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0467 X(o=-0.047,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.394 X(o=-0.39,f=0) USER MOD Single : A 44 THR OG1 : rot -52:sc= 1.24 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0713 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= -0.683 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.818 -8.307 7.369 1.00 2.03 N ATOM 2 CA MET A 1 19.500 -9.495 7.872 1.00 34.23 C ATOM 3 C MET A 1 18.774 -10.764 7.435 1.00 73.15 C ATOM 4 O MET A 1 17.564 -10.895 7.618 1.00 63.51 O ATOM 5 CB MET A 1 19.594 -9.447 9.398 1.00 42.53 C ATOM 6 CG MET A 1 20.047 -8.099 9.937 1.00 45.15 C ATOM 7 SD MET A 1 20.855 -8.231 11.543 1.00 3.33 S ATOM 8 CE MET A 1 19.639 -9.173 12.459 1.00 73.52 C ATOM 0 H1 MET A 1 19.470 -7.497 7.390 1.00 2.03 H new ATOM 0 H2 MET A 1 18.505 -8.474 6.391 1.00 2.03 H new ATOM 0 H3 MET A 1 17.992 -8.102 7.967 1.00 2.03 H new ATOM 0 HA MET A 1 20.506 -9.511 7.454 1.00 34.23 H new ATOM 0 HB2 MET A 1 18.619 -9.690 9.822 1.00 42.53 H new ATOM 0 HB3 MET A 1 20.289 -10.216 9.735 1.00 42.53 H new ATOM 0 HG2 MET A 1 20.733 -7.639 9.226 1.00 45.15 H new ATOM 0 HG3 MET A 1 19.185 -7.437 10.021 1.00 45.15 H new ATOM 0 HE1 MET A 1 19.879 -9.141 13.522 1.00 73.52 H new ATOM 0 HE2 MET A 1 18.650 -8.745 12.297 1.00 73.52 H new ATOM 0 HE3 MET A 1 19.647 -10.208 12.117 1.00 73.52 H new ATOM 18 N THR A 2 19.523 -11.699 6.857 1.00 32.33 N ATOM 19 CA THR A 2 18.951 -12.955 6.393 1.00 25.25 C ATOM 20 C THR A 2 19.032 -14.028 7.473 1.00 52.42 C ATOM 21 O THR A 2 20.042 -14.148 8.169 1.00 3.11 O ATOM 22 CB THR A 2 19.665 -13.464 5.127 1.00 23.24 C ATOM 23 OG1 THR A 2 19.641 -12.454 4.111 1.00 35.55 O ATOM 24 CG2 THR A 2 19.003 -14.729 4.603 1.00 50.33 C ATOM 0 H THR A 2 20.527 -11.609 6.700 1.00 32.33 H new ATOM 0 HA THR A 2 17.905 -12.758 6.157 1.00 25.25 H new ATOM 0 HB THR A 2 20.698 -13.694 5.388 1.00 23.24 H new ATOM 0 HG1 THR A 2 20.098 -12.785 3.310 1.00 35.55 H new ATOM 0 HG21 THR A 2 19.525 -15.069 3.709 1.00 50.33 H new ATOM 0 HG22 THR A 2 19.047 -15.506 5.366 1.00 50.33 H new ATOM 0 HG23 THR A 2 17.962 -14.520 4.358 1.00 50.33 H new ATOM 32 N PHE A 3 17.964 -14.808 7.608 1.00 23.24 N ATOM 33 CA PHE A 3 17.915 -15.871 8.605 1.00 31.32 C ATOM 34 C PHE A 3 17.877 -17.242 7.936 1.00 32.01 C ATOM 35 O PHE A 3 17.482 -17.370 6.777 1.00 41.12 O ATOM 36 CB PHE A 3 16.692 -15.697 9.508 1.00 42.31 C ATOM 37 CG PHE A 3 16.990 -14.969 10.787 1.00 33.03 C ATOM 38 CD1 PHE A 3 16.598 -13.650 10.957 1.00 42.10 C ATOM 39 CD2 PHE A 3 17.662 -15.603 11.820 1.00 33.44 C ATOM 40 CE1 PHE A 3 16.869 -12.979 12.134 1.00 51.32 C ATOM 41 CE2 PHE A 3 17.937 -14.935 12.998 1.00 24.41 C ATOM 42 CZ PHE A 3 17.540 -13.621 13.154 1.00 72.31 C ATOM 0 H PHE A 3 17.121 -14.724 7.040 1.00 23.24 H new ATOM 0 HA PHE A 3 18.818 -15.807 9.212 1.00 31.32 H new ATOM 0 HB2 PHE A 3 15.921 -15.154 8.961 1.00 42.31 H new ATOM 0 HB3 PHE A 3 16.283 -16.679 9.745 1.00 42.31 H new ATOM 0 HD1 PHE A 3 16.075 -13.141 10.161 1.00 42.10 H new ATOM 0 HD2 PHE A 3 17.974 -16.630 11.703 1.00 33.44 H new ATOM 0 HE1 PHE A 3 16.556 -11.953 12.255 1.00 51.32 H new ATOM 0 HE2 PHE A 3 18.462 -15.440 13.796 1.00 24.41 H new ATOM 0 HZ PHE A 3 17.755 -13.097 14.074 1.00 72.31 H new ATOM 52 N LYS A 4 18.292 -18.266 8.675 1.00 30.13 N ATOM 53 CA LYS A 4 18.306 -19.628 8.155 1.00 25.34 C ATOM 54 C LYS A 4 17.666 -20.595 9.148 1.00 70.05 C ATOM 55 O LYS A 4 17.852 -20.470 10.359 1.00 25.23 O ATOM 56 CB LYS A 4 19.740 -20.066 7.853 1.00 2.25 C ATOM 57 CG LYS A 4 19.862 -20.936 6.614 1.00 51.01 C ATOM 58 CD LYS A 4 21.315 -21.147 6.221 1.00 12.30 C ATOM 59 CE LYS A 4 21.549 -22.555 5.693 1.00 32.32 C ATOM 60 NZ LYS A 4 22.985 -22.943 5.770 1.00 32.44 N1+ ATOM 0 H LYS A 4 18.623 -18.178 9.636 1.00 30.13 H new ATOM 0 HA LYS A 4 17.726 -19.644 7.232 1.00 25.34 H new ATOM 0 HB2 LYS A 4 20.363 -19.180 7.728 1.00 2.25 H new ATOM 0 HB3 LYS A 4 20.132 -20.613 8.711 1.00 2.25 H new ATOM 0 HG2 LYS A 4 19.390 -21.901 6.798 1.00 51.01 H new ATOM 0 HG3 LYS A 4 19.325 -20.471 5.788 1.00 51.01 H new ATOM 0 HD2 LYS A 4 21.597 -20.420 5.459 1.00 12.30 H new ATOM 0 HD3 LYS A 4 21.956 -20.969 7.084 1.00 12.30 H new ATOM 0 HE2 LYS A 4 20.950 -23.262 6.266 1.00 32.32 H new ATOM 0 HE3 LYS A 4 21.211 -22.616 4.659 1.00 32.32 H new ATOM 0 HZ1 LYS A 4 23.104 -23.908 5.401 1.00 32.44 H new ATOM 0 HZ2 LYS A 4 23.554 -22.283 5.202 1.00 32.44 H new ATOM 0 HZ3 LYS A 4 23.301 -22.909 6.760 1.00 32.44 H new ATOM 74 N LEU A 5 16.916 -21.559 8.627 1.00 33.01 N ATOM 75 CA LEU A 5 16.251 -22.548 9.468 1.00 5.52 C ATOM 76 C LEU A 5 16.842 -23.937 9.247 1.00 63.41 C ATOM 77 O LEU A 5 17.131 -24.326 8.115 1.00 54.40 O ATOM 78 CB LEU A 5 14.749 -22.569 9.174 1.00 41.31 C ATOM 79 CG LEU A 5 13.844 -22.977 10.337 1.00 72.33 C ATOM 80 CD1 LEU A 5 12.395 -22.632 10.032 1.00 41.24 C ATOM 81 CD2 LEU A 5 13.989 -24.464 10.628 1.00 71.45 C ATOM 0 H LEU A 5 16.753 -21.677 7.627 1.00 33.01 H new ATOM 0 HA LEU A 5 16.408 -22.267 10.509 1.00 5.52 H new ATOM 0 HB2 LEU A 5 14.451 -21.576 8.839 1.00 41.31 H new ATOM 0 HB3 LEU A 5 14.571 -23.253 8.344 1.00 41.31 H new ATOM 0 HG LEU A 5 14.150 -22.421 11.223 1.00 72.33 H new ATOM 0 HD11 LEU A 5 11.766 -22.930 10.871 1.00 41.24 H new ATOM 0 HD12 LEU A 5 12.303 -21.558 9.872 1.00 41.24 H new ATOM 0 HD13 LEU A 5 12.076 -23.161 9.134 1.00 41.24 H new ATOM 0 HD21 LEU A 5 13.338 -24.737 11.458 1.00 71.45 H new ATOM 0 HD22 LEU A 5 13.709 -25.037 9.744 1.00 71.45 H new ATOM 0 HD23 LEU A 5 15.024 -24.684 10.890 1.00 71.45 H new ATOM 93 N ILE A 6 17.017 -24.680 10.335 1.00 4.33 N ATOM 94 CA ILE A 6 17.571 -26.025 10.259 1.00 33.32 C ATOM 95 C ILE A 6 16.592 -27.054 10.811 1.00 45.43 C ATOM 96 O ILE A 6 16.418 -27.174 12.024 1.00 53.14 O ATOM 97 CB ILE A 6 18.900 -26.131 11.032 1.00 13.12 C ATOM 98 CG1 ILE A 6 20.012 -25.396 10.282 1.00 20.14 C ATOM 99 CG2 ILE A 6 19.273 -27.592 11.245 1.00 23.52 C ATOM 100 CD1 ILE A 6 20.364 -26.027 8.953 1.00 64.22 C ATOM 0 H ILE A 6 16.783 -24.373 11.279 1.00 4.33 H new ATOM 0 HA ILE A 6 17.756 -26.231 9.205 1.00 33.32 H new ATOM 0 HB ILE A 6 18.774 -25.661 12.008 1.00 13.12 H new ATOM 0 HG12 ILE A 6 19.705 -24.363 10.115 1.00 20.14 H new ATOM 0 HG13 ILE A 6 20.904 -25.366 10.908 1.00 20.14 H new ATOM 0 HG21 ILE A 6 20.214 -27.651 11.792 1.00 23.52 H new ATOM 0 HG22 ILE A 6 18.489 -28.088 11.817 1.00 23.52 H new ATOM 0 HG23 ILE A 6 19.384 -28.084 10.279 1.00 23.52 H new ATOM 0 HD11 ILE A 6 21.159 -25.453 8.477 1.00 64.22 H new ATOM 0 HD12 ILE A 6 20.702 -27.051 9.114 1.00 64.22 H new ATOM 0 HD13 ILE A 6 19.485 -26.032 8.309 1.00 64.22 H new ATOM 112 N ILE A 7 15.955 -27.797 9.912 1.00 20.51 N ATOM 113 CA ILE A 7 14.994 -28.820 10.309 1.00 51.32 C ATOM 114 C ILE A 7 15.649 -30.195 10.372 1.00 24.33 C ATOM 115 O ILE A 7 15.672 -30.928 9.385 1.00 22.23 O ATOM 116 CB ILE A 7 13.799 -28.877 9.340 1.00 15.41 C ATOM 117 CG1 ILE A 7 13.217 -27.477 9.129 1.00 1.21 C ATOM 118 CG2 ILE A 7 12.733 -29.824 9.867 1.00 72.24 C ATOM 119 CD1 ILE A 7 12.103 -27.433 8.108 1.00 50.13 C ATOM 0 H ILE A 7 16.087 -27.710 8.904 1.00 20.51 H new ATOM 0 HA ILE A 7 14.634 -28.546 11.301 1.00 51.32 H new ATOM 0 HB ILE A 7 14.149 -29.254 8.379 1.00 15.41 H new ATOM 0 HG12 ILE A 7 12.841 -27.101 10.081 1.00 1.21 H new ATOM 0 HG13 ILE A 7 14.015 -26.805 8.813 1.00 1.21 H new ATOM 0 HG21 ILE A 7 11.895 -29.853 9.170 1.00 72.24 H new ATOM 0 HG22 ILE A 7 13.154 -30.824 9.970 1.00 72.24 H new ATOM 0 HG23 ILE A 7 12.385 -29.475 10.839 1.00 72.24 H new ATOM 0 HD11 ILE A 7 11.739 -26.410 8.011 1.00 50.13 H new ATOM 0 HD12 ILE A 7 12.479 -27.778 7.145 1.00 50.13 H new ATOM 0 HD13 ILE A 7 11.287 -28.079 8.432 1.00 50.13 H new ATOM 131 N ASN A 8 16.180 -30.540 11.541 1.00 64.41 N ATOM 132 CA ASN A 8 16.835 -31.828 11.733 1.00 62.14 C ATOM 133 C ASN A 8 15.808 -32.954 11.811 1.00 34.41 C ATOM 134 O ASN A 8 15.519 -33.470 12.890 1.00 1.43 O ATOM 135 CB ASN A 8 17.685 -31.808 13.006 1.00 1.04 C ATOM 136 CG ASN A 8 18.645 -32.978 13.080 1.00 72.24 C ATOM 137 OD1 ASN A 8 18.440 -34.007 12.432 1.00 2.11 O ATOM 138 ND2 ASN A 8 19.702 -32.829 13.869 1.00 14.42 N ATOM 0 H ASN A 8 16.169 -29.945 12.369 1.00 64.41 H new ATOM 0 HA ASN A 8 17.483 -32.009 10.875 1.00 62.14 H new ATOM 0 HB2 ASN A 8 18.249 -30.876 13.048 1.00 1.04 H new ATOM 0 HB3 ASN A 8 17.030 -31.824 13.877 1.00 1.04 H new ATOM 0 HD21 ASN A 8 20.383 -33.583 13.957 1.00 14.42 H new ATOM 0 HD22 ASN A 8 19.833 -31.960 14.387 1.00 14.42 H new ATOM 145 N GLY A 9 15.261 -33.331 10.660 1.00 25.24 N ATOM 146 CA GLY A 9 14.273 -34.392 10.620 1.00 42.23 C ATOM 147 C GLY A 9 14.860 -35.713 10.163 1.00 54.12 C ATOM 148 O GLY A 9 15.354 -35.828 9.040 1.00 64.31 O ATOM 0 H GLY A 9 15.485 -32.920 9.754 1.00 25.24 H new ATOM 0 HA2 GLY A 9 13.836 -34.515 11.611 1.00 42.23 H new ATOM 0 HA3 GLY A 9 13.464 -34.106 9.948 1.00 42.23 H new ATOM 152 N LYS A 10 14.810 -36.714 11.035 1.00 20.14 N ATOM 153 CA LYS A 10 15.340 -38.035 10.717 1.00 61.12 C ATOM 154 C LYS A 10 14.636 -38.626 9.500 1.00 44.41 C ATOM 155 O LYS A 10 15.208 -39.438 8.771 1.00 51.54 O ATOM 156 CB LYS A 10 15.183 -38.972 11.915 1.00 74.11 C ATOM 157 CG LYS A 10 13.736 -39.243 12.290 1.00 52.15 C ATOM 158 CD LYS A 10 13.206 -40.490 11.604 1.00 52.11 C ATOM 159 CE LYS A 10 12.136 -41.176 12.441 1.00 33.45 C ATOM 160 NZ LYS A 10 12.729 -42.070 13.472 1.00 33.12 N1+ ATOM 0 H LYS A 10 14.407 -36.636 11.969 1.00 20.14 H new ATOM 0 HA LYS A 10 16.399 -37.927 10.484 1.00 61.12 H new ATOM 0 HB2 LYS A 10 15.675 -39.919 11.692 1.00 74.11 H new ATOM 0 HB3 LYS A 10 15.697 -38.540 12.773 1.00 74.11 H new ATOM 0 HG2 LYS A 10 13.655 -39.359 13.371 1.00 52.15 H new ATOM 0 HG3 LYS A 10 13.121 -38.386 12.014 1.00 52.15 H new ATOM 0 HD2 LYS A 10 12.793 -40.223 10.631 1.00 52.11 H new ATOM 0 HD3 LYS A 10 14.027 -41.183 11.422 1.00 52.11 H new ATOM 0 HE2 LYS A 10 11.516 -40.422 12.927 1.00 33.45 H new ATOM 0 HE3 LYS A 10 11.482 -41.756 11.790 1.00 33.45 H new ATOM 0 HZ1 LYS A 10 11.968 -42.519 14.021 1.00 33.12 H new ATOM 0 HZ2 LYS A 10 13.300 -42.804 13.008 1.00 33.12 H new ATOM 0 HZ3 LYS A 10 13.333 -41.512 14.109 1.00 33.12 H new ATOM 174 N THR A 11 13.391 -38.212 9.282 1.00 15.21 N ATOM 175 CA THR A 11 12.609 -38.699 8.154 1.00 62.22 C ATOM 176 C THR A 11 12.876 -37.871 6.902 1.00 61.24 C ATOM 177 O THR A 11 13.066 -38.417 5.814 1.00 32.30 O ATOM 178 CB THR A 11 11.100 -38.671 8.461 1.00 70.54 C ATOM 179 OG1 THR A 11 10.792 -37.551 9.297 1.00 73.10 O ATOM 180 CG2 THR A 11 10.665 -39.958 9.149 1.00 44.40 C ATOM 0 H THR A 11 12.903 -37.539 9.874 1.00 15.21 H new ATOM 0 HA THR A 11 12.917 -39.730 7.978 1.00 62.22 H new ATOM 0 HB THR A 11 10.560 -38.580 7.518 1.00 70.54 H new ATOM 0 HG1 THR A 11 9.831 -37.539 9.487 1.00 73.10 H new ATOM 0 HG21 THR A 11 9.596 -39.916 9.356 1.00 44.40 H new ATOM 0 HG22 THR A 11 10.876 -40.807 8.499 1.00 44.40 H new ATOM 0 HG23 THR A 11 11.212 -40.073 10.085 1.00 44.40 H new ATOM 188 N LEU A 12 12.890 -36.554 7.062 1.00 23.00 N ATOM 189 CA LEU A 12 13.134 -35.649 5.944 1.00 43.11 C ATOM 190 C LEU A 12 13.714 -34.325 6.431 1.00 4.35 C ATOM 191 O LEU A 12 13.038 -33.552 7.109 1.00 72.22 O ATOM 192 CB LEU A 12 11.837 -35.398 5.171 1.00 64.33 C ATOM 193 CG LEU A 12 11.991 -35.106 3.679 1.00 11.33 C ATOM 194 CD1 LEU A 12 12.792 -33.832 3.464 1.00 33.21 C ATOM 195 CD2 LEU A 12 12.652 -36.279 2.971 1.00 70.53 C ATOM 0 H LEU A 12 12.735 -36.087 7.956 1.00 23.00 H new ATOM 0 HA LEU A 12 13.859 -36.120 5.280 1.00 43.11 H new ATOM 0 HB2 LEU A 12 11.195 -36.271 5.285 1.00 64.33 H new ATOM 0 HB3 LEU A 12 11.319 -34.558 5.634 1.00 64.33 H new ATOM 0 HG LEU A 12 10.998 -34.963 3.253 1.00 11.33 H new ATOM 0 HD11 LEU A 12 12.891 -33.641 2.396 1.00 33.21 H new ATOM 0 HD12 LEU A 12 12.278 -32.995 3.937 1.00 33.21 H new ATOM 0 HD13 LEU A 12 13.782 -33.946 3.906 1.00 33.21 H new ATOM 0 HD21 LEU A 12 12.753 -36.053 1.910 1.00 70.53 H new ATOM 0 HD22 LEU A 12 13.638 -36.454 3.401 1.00 70.53 H new ATOM 0 HD23 LEU A 12 12.039 -37.171 3.095 1.00 70.53 H new ATOM 207 N LYS A 13 14.969 -34.068 6.078 1.00 21.15 N ATOM 208 CA LYS A 13 15.639 -32.836 6.474 1.00 13.53 C ATOM 209 C LYS A 13 15.320 -31.706 5.502 1.00 62.51 C ATOM 210 O LYS A 13 15.016 -31.945 4.335 1.00 23.21 O ATOM 211 CB LYS A 13 17.153 -33.055 6.541 1.00 14.43 C ATOM 212 CG LYS A 13 17.855 -32.150 7.540 1.00 1.44 C ATOM 213 CD LYS A 13 19.359 -32.149 7.331 1.00 42.34 C ATOM 214 CE LYS A 13 20.072 -31.355 8.413 1.00 71.21 C ATOM 215 NZ LYS A 13 21.517 -31.710 8.502 1.00 31.45 N1+ ATOM 0 H LYS A 13 15.543 -34.698 5.518 1.00 21.15 H new ATOM 0 HA LYS A 13 15.274 -32.554 7.462 1.00 13.53 H new ATOM 0 HB2 LYS A 13 17.350 -34.094 6.804 1.00 14.43 H new ATOM 0 HB3 LYS A 13 17.580 -32.890 5.552 1.00 14.43 H new ATOM 0 HG2 LYS A 13 17.473 -31.134 7.443 1.00 1.44 H new ATOM 0 HG3 LYS A 13 17.628 -32.480 8.554 1.00 1.44 H new ATOM 0 HD2 LYS A 13 19.728 -33.175 7.329 1.00 42.34 H new ATOM 0 HD3 LYS A 13 19.591 -31.725 6.354 1.00 42.34 H new ATOM 0 HE2 LYS A 13 19.972 -30.289 8.207 1.00 71.21 H new ATOM 0 HE3 LYS A 13 19.593 -31.540 9.374 1.00 71.21 H new ATOM 0 HZ1 LYS A 13 21.967 -31.147 9.251 1.00 31.45 H new ATOM 0 HZ2 LYS A 13 21.613 -32.721 8.724 1.00 31.45 H new ATOM 0 HZ3 LYS A 13 21.980 -31.510 7.593 1.00 31.45 H new ATOM 229 N GLY A 14 15.393 -30.471 5.993 1.00 64.41 N ATOM 230 CA GLY A 14 15.110 -29.323 5.153 1.00 2.42 C ATOM 231 C GLY A 14 15.486 -28.012 5.817 1.00 5.42 C ATOM 232 O GLY A 14 15.676 -27.959 7.032 1.00 43.14 O ATOM 0 H GLY A 14 15.643 -30.247 6.956 1.00 64.41 H new ATOM 0 HA2 GLY A 14 15.655 -29.421 4.214 1.00 2.42 H new ATOM 0 HA3 GLY A 14 14.048 -29.310 4.906 1.00 2.42 H new ATOM 236 N GLU A 15 15.594 -26.956 5.020 1.00 34.54 N ATOM 237 CA GLU A 15 15.952 -25.640 5.539 1.00 71.41 C ATOM 238 C GLU A 15 15.220 -24.538 4.778 1.00 64.34 C ATOM 239 O GLU A 15 14.627 -24.780 3.726 1.00 1.11 O ATOM 240 CB GLU A 15 17.463 -25.424 5.444 1.00 73.45 C ATOM 241 CG GLU A 15 18.277 -26.500 6.141 1.00 42.33 C ATOM 242 CD GLU A 15 19.761 -26.390 5.853 1.00 65.22 C ATOM 243 OE1 GLU A 15 20.522 -27.270 6.307 1.00 13.12 O ATOM 244 OE2 GLU A 15 20.164 -25.422 5.174 1.00 51.34 O1- ATOM 0 H GLU A 15 15.439 -26.984 4.012 1.00 34.54 H new ATOM 0 HA GLU A 15 15.651 -25.596 6.586 1.00 71.41 H new ATOM 0 HB2 GLU A 15 17.751 -25.386 4.393 1.00 73.45 H new ATOM 0 HB3 GLU A 15 17.711 -24.455 5.877 1.00 73.45 H new ATOM 0 HG2 GLU A 15 18.114 -26.433 7.217 1.00 42.33 H new ATOM 0 HG3 GLU A 15 17.921 -27.481 5.825 1.00 42.33 H new ATOM 251 N THR A 16 15.266 -23.324 5.318 1.00 30.23 N ATOM 252 CA THR A 16 14.608 -22.184 4.692 1.00 24.41 C ATOM 253 C THR A 16 15.211 -20.869 5.174 1.00 65.30 C ATOM 254 O THR A 16 15.960 -20.837 6.150 1.00 35.35 O ATOM 255 CB THR A 16 13.095 -22.180 4.984 1.00 23.35 C ATOM 256 OG1 THR A 16 12.465 -21.102 4.282 1.00 41.12 O ATOM 257 CG2 THR A 16 12.832 -22.044 6.475 1.00 10.41 C ATOM 0 H THR A 16 15.752 -23.105 6.188 1.00 30.23 H new ATOM 0 HA THR A 16 14.763 -22.279 3.617 1.00 24.41 H new ATOM 0 HB THR A 16 12.678 -23.128 4.644 1.00 23.35 H new ATOM 0 HG1 THR A 16 11.534 -21.338 4.087 1.00 41.12 H new ATOM 0 HG21 THR A 16 11.757 -22.044 6.656 1.00 10.41 H new ATOM 0 HG22 THR A 16 13.289 -22.881 7.003 1.00 10.41 H new ATOM 0 HG23 THR A 16 13.261 -21.110 6.836 1.00 10.41 H new ATOM 265 N THR A 17 14.877 -19.782 4.484 1.00 54.32 N ATOM 266 CA THR A 17 15.385 -18.464 4.842 1.00 12.31 C ATOM 267 C THR A 17 14.327 -17.388 4.621 1.00 23.20 C ATOM 268 O THR A 17 13.367 -17.591 3.877 1.00 35.13 O ATOM 269 CB THR A 17 16.642 -18.107 4.026 1.00 33.43 C ATOM 270 OG1 THR A 17 16.315 -18.015 2.635 1.00 1.33 O ATOM 271 CG2 THR A 17 17.732 -19.148 4.228 1.00 2.04 C ATOM 0 H THR A 17 14.257 -19.789 3.674 1.00 54.32 H new ATOM 0 HA THR A 17 15.645 -18.502 5.900 1.00 12.31 H new ATOM 0 HB THR A 17 17.012 -17.143 4.375 1.00 33.43 H new ATOM 0 HG1 THR A 17 17.119 -17.786 2.124 1.00 1.33 H new ATOM 0 HG21 THR A 17 18.609 -18.874 3.642 1.00 2.04 H new ATOM 0 HG22 THR A 17 18.000 -19.194 5.283 1.00 2.04 H new ATOM 0 HG23 THR A 17 17.369 -20.123 3.904 1.00 2.04 H new ATOM 279 N THR A 18 14.510 -16.244 5.270 1.00 1.12 N ATOM 280 CA THR A 18 13.571 -15.136 5.146 1.00 0.52 C ATOM 281 C THR A 18 14.184 -13.835 5.655 1.00 45.23 C ATOM 282 O THR A 18 14.897 -13.825 6.657 1.00 15.53 O ATOM 283 CB THR A 18 12.268 -15.413 5.919 1.00 64.43 C ATOM 284 OG1 THR A 18 11.415 -14.265 5.869 1.00 33.34 O ATOM 285 CG2 THR A 18 12.565 -15.768 7.369 1.00 40.51 C ATOM 0 H THR A 18 15.300 -16.060 5.888 1.00 1.12 H new ATOM 0 HA THR A 18 13.341 -15.036 4.085 1.00 0.52 H new ATOM 0 HB THR A 18 11.765 -16.259 5.449 1.00 64.43 H new ATOM 0 HG1 THR A 18 10.759 -14.313 6.596 1.00 33.34 H new ATOM 0 HG21 THR A 18 11.630 -15.960 7.896 1.00 40.51 H new ATOM 0 HG22 THR A 18 13.191 -16.660 7.404 1.00 40.51 H new ATOM 0 HG23 THR A 18 13.087 -14.939 7.847 1.00 40.51 H new ATOM 293 N GLU A 19 13.900 -12.741 4.956 1.00 35.24 N ATOM 294 CA GLU A 19 14.425 -11.434 5.339 1.00 14.34 C ATOM 295 C GLU A 19 13.629 -10.848 6.501 1.00 73.40 C ATOM 296 O GLU A 19 12.403 -10.754 6.442 1.00 13.11 O ATOM 297 CB GLU A 19 14.389 -10.476 4.145 1.00 73.50 C ATOM 298 CG GLU A 19 15.613 -10.574 3.249 1.00 40.15 C ATOM 299 CD GLU A 19 15.559 -9.607 2.084 1.00 11.31 C ATOM 300 OE1 GLU A 19 14.565 -8.859 1.978 1.00 30.40 O ATOM 301 OE2 GLU A 19 16.511 -9.597 1.276 1.00 34.34 O1- ATOM 0 H GLU A 19 13.311 -12.733 4.123 1.00 35.24 H new ATOM 0 HA GLU A 19 15.459 -11.565 5.659 1.00 14.34 H new ATOM 0 HB2 GLU A 19 13.498 -10.681 3.552 1.00 73.50 H new ATOM 0 HB3 GLU A 19 14.299 -9.454 4.513 1.00 73.50 H new ATOM 0 HG2 GLU A 19 16.508 -10.377 3.839 1.00 40.15 H new ATOM 0 HG3 GLU A 19 15.700 -11.592 2.868 1.00 40.15 H new ATOM 308 N ALA A 20 14.335 -10.455 7.555 1.00 74.44 N ATOM 309 CA ALA A 20 13.695 -9.875 8.730 1.00 23.12 C ATOM 310 C ALA A 20 14.597 -8.838 9.392 1.00 54.32 C ATOM 311 O ALA A 20 15.742 -8.645 8.981 1.00 42.41 O ATOM 312 CB ALA A 20 13.327 -10.968 9.724 1.00 33.00 C ATOM 0 H ALA A 20 15.350 -10.527 7.620 1.00 74.44 H new ATOM 0 HA ALA A 20 12.784 -9.372 8.405 1.00 23.12 H new ATOM 0 HB1 ALA A 20 12.850 -10.521 10.596 1.00 33.00 H new ATOM 0 HB2 ALA A 20 12.639 -11.670 9.254 1.00 33.00 H new ATOM 0 HB3 ALA A 20 14.229 -11.496 10.034 1.00 33.00 H new ATOM 318 N VAL A 21 14.075 -8.174 10.417 1.00 3.03 N ATOM 319 CA VAL A 21 14.833 -7.157 11.135 1.00 53.14 C ATOM 320 C VAL A 21 15.197 -7.632 12.538 1.00 3.01 C ATOM 321 O VAL A 21 16.203 -7.208 13.106 1.00 4.54 O ATOM 322 CB VAL A 21 14.045 -5.837 11.241 1.00 33.31 C ATOM 323 CG1 VAL A 21 14.007 -5.130 9.894 1.00 23.31 C ATOM 324 CG2 VAL A 21 12.636 -6.099 11.753 1.00 5.33 C ATOM 0 H VAL A 21 13.129 -8.322 10.769 1.00 3.03 H new ATOM 0 HA VAL A 21 15.745 -6.981 10.564 1.00 53.14 H new ATOM 0 HB VAL A 21 14.552 -5.186 11.953 1.00 33.31 H new ATOM 0 HG11 VAL A 21 13.447 -4.200 9.987 1.00 23.31 H new ATOM 0 HG12 VAL A 21 15.024 -4.910 9.570 1.00 23.31 H new ATOM 0 HG13 VAL A 21 13.523 -5.773 9.159 1.00 23.31 H new ATOM 0 HG21 VAL A 21 12.093 -5.156 11.822 1.00 5.33 H new ATOM 0 HG22 VAL A 21 12.117 -6.767 11.065 1.00 5.33 H new ATOM 0 HG23 VAL A 21 12.687 -6.561 12.739 1.00 5.33 H new ATOM 334 N ASP A 22 14.371 -8.513 13.091 1.00 31.34 N ATOM 335 CA ASP A 22 14.607 -9.047 14.428 1.00 34.11 C ATOM 336 C ASP A 22 14.413 -10.561 14.450 1.00 64.45 C ATOM 337 O ASP A 22 13.917 -11.146 13.488 1.00 24.43 O ATOM 338 CB ASP A 22 13.667 -8.387 15.437 1.00 2.35 C ATOM 339 CG ASP A 22 13.972 -6.915 15.633 1.00 12.32 C ATOM 340 OD1 ASP A 22 15.165 -6.564 15.740 1.00 25.10 O ATOM 341 OD2 ASP A 22 13.015 -6.111 15.678 1.00 2.01 O1- ATOM 0 H ASP A 22 13.533 -8.873 12.635 1.00 31.34 H new ATOM 0 HA ASP A 22 15.638 -8.826 14.704 1.00 34.11 H new ATOM 0 HB2 ASP A 22 12.637 -8.500 15.098 1.00 2.35 H new ATOM 0 HB3 ASP A 22 13.746 -8.902 16.394 1.00 2.35 H new ATOM 346 N ALA A 23 14.811 -11.187 15.552 1.00 45.21 N ATOM 347 CA ALA A 23 14.681 -12.631 15.699 1.00 14.32 C ATOM 348 C ALA A 23 13.215 -13.053 15.696 1.00 51.22 C ATOM 349 O ALA A 23 12.868 -14.117 15.183 1.00 61.02 O ATOM 350 CB ALA A 23 15.363 -13.094 16.979 1.00 11.53 C ATOM 0 H ALA A 23 15.226 -10.717 16.356 1.00 45.21 H new ATOM 0 HA ALA A 23 15.170 -13.104 14.848 1.00 14.32 H new ATOM 0 HB1 ALA A 23 15.258 -14.175 17.077 1.00 11.53 H new ATOM 0 HB2 ALA A 23 16.421 -12.834 16.942 1.00 11.53 H new ATOM 0 HB3 ALA A 23 14.899 -12.606 17.836 1.00 11.53 H new ATOM 356 N ALA A 24 12.361 -12.214 16.270 1.00 24.41 N ATOM 357 CA ALA A 24 10.934 -12.500 16.331 1.00 54.51 C ATOM 358 C ALA A 24 10.265 -12.251 14.984 1.00 3.13 C ATOM 359 O ALA A 24 9.250 -12.868 14.658 1.00 23.22 O ATOM 360 CB ALA A 24 10.271 -11.660 17.414 1.00 61.03 C ATOM 0 H ALA A 24 12.633 -11.330 16.700 1.00 24.41 H new ATOM 0 HA ALA A 24 10.812 -13.554 16.579 1.00 54.51 H new ATOM 0 HB1 ALA A 24 9.205 -11.885 17.447 1.00 61.03 H new ATOM 0 HB2 ALA A 24 10.721 -11.891 18.380 1.00 61.03 H new ATOM 0 HB3 ALA A 24 10.412 -10.602 17.191 1.00 61.03 H new ATOM 366 N THR A 25 10.841 -11.344 14.202 1.00 1.15 N ATOM 367 CA THR A 25 10.300 -11.011 12.890 1.00 53.23 C ATOM 368 C THR A 25 10.383 -12.203 11.944 1.00 30.45 C ATOM 369 O THR A 25 9.398 -12.566 11.299 1.00 63.44 O ATOM 370 CB THR A 25 11.045 -9.819 12.261 1.00 71.03 C ATOM 371 OG1 THR A 25 11.020 -8.700 13.154 1.00 61.13 O ATOM 372 CG2 THR A 25 10.415 -9.427 10.932 1.00 61.04 C ATOM 0 H THR A 25 11.683 -10.826 14.455 1.00 1.15 H new ATOM 0 HA THR A 25 9.255 -10.739 13.038 1.00 53.23 H new ATOM 0 HB THR A 25 12.078 -10.118 12.082 1.00 71.03 H new ATOM 0 HG1 THR A 25 10.722 -7.902 12.670 1.00 61.13 H new ATOM 0 HG21 THR A 25 10.958 -8.583 10.507 1.00 61.04 H new ATOM 0 HG22 THR A 25 10.461 -10.272 10.244 1.00 61.04 H new ATOM 0 HG23 THR A 25 9.374 -9.145 11.092 1.00 61.04 H new ATOM 380 N ALA A 26 11.563 -12.811 11.865 1.00 14.02 N ATOM 381 CA ALA A 26 11.772 -13.964 11.000 1.00 64.04 C ATOM 382 C ALA A 26 11.141 -15.218 11.595 1.00 75.33 C ATOM 383 O ALA A 26 10.608 -16.058 10.871 1.00 62.32 O ATOM 384 CB ALA A 26 13.258 -14.181 10.760 1.00 21.44 C ATOM 0 H ALA A 26 12.388 -12.523 12.390 1.00 14.02 H new ATOM 0 HA ALA A 26 11.287 -13.763 10.045 1.00 64.04 H new ATOM 0 HB1 ALA A 26 13.399 -15.046 10.112 1.00 21.44 H new ATOM 0 HB2 ALA A 26 13.682 -13.297 10.284 1.00 21.44 H new ATOM 0 HB3 ALA A 26 13.759 -14.355 11.712 1.00 21.44 H new ATOM 390 N GLU A 27 11.209 -15.339 12.917 1.00 43.32 N ATOM 391 CA GLU A 27 10.645 -16.493 13.607 1.00 43.14 C ATOM 392 C GLU A 27 9.192 -16.717 13.196 1.00 11.53 C ATOM 393 O GLU A 27 8.731 -17.854 13.098 1.00 74.20 O ATOM 394 CB GLU A 27 10.734 -16.302 15.123 1.00 72.21 C ATOM 395 CG GLU A 27 10.097 -17.429 15.917 1.00 34.42 C ATOM 396 CD GLU A 27 10.276 -17.264 17.413 1.00 24.33 C ATOM 397 OE1 GLU A 27 9.334 -16.776 18.071 1.00 1.45 O ATOM 398 OE2 GLU A 27 11.358 -17.619 17.926 1.00 75.42 O1- ATOM 0 H GLU A 27 11.648 -14.653 13.531 1.00 43.32 H new ATOM 0 HA GLU A 27 11.224 -17.372 13.324 1.00 43.14 H new ATOM 0 HB2 GLU A 27 11.782 -16.215 15.409 1.00 72.21 H new ATOM 0 HB3 GLU A 27 10.251 -15.362 15.391 1.00 72.21 H new ATOM 0 HG2 GLU A 27 9.033 -17.475 15.685 1.00 34.42 H new ATOM 0 HG3 GLU A 27 10.532 -18.379 15.606 1.00 34.42 H new ATOM 405 N LYS A 28 8.476 -15.623 12.959 1.00 10.53 N ATOM 406 CA LYS A 28 7.076 -15.698 12.557 1.00 11.42 C ATOM 407 C LYS A 28 6.913 -16.553 11.305 1.00 42.33 C ATOM 408 O LYS A 28 5.931 -17.281 11.162 1.00 43.53 O ATOM 409 CB LYS A 28 6.521 -14.294 12.304 1.00 1.23 C ATOM 410 CG LYS A 28 5.050 -14.280 11.927 1.00 4.35 C ATOM 411 CD LYS A 28 4.159 -14.401 13.152 1.00 51.12 C ATOM 412 CE LYS A 28 3.815 -13.036 13.728 1.00 54.21 C ATOM 413 NZ LYS A 28 4.843 -12.570 14.700 1.00 52.40 N1+ ATOM 0 H LYS A 28 8.842 -14.674 13.038 1.00 10.53 H new ATOM 0 HA LYS A 28 6.516 -16.164 13.368 1.00 11.42 H new ATOM 0 HB2 LYS A 28 6.664 -13.689 13.200 1.00 1.23 H new ATOM 0 HB3 LYS A 28 7.096 -13.823 11.507 1.00 1.23 H new ATOM 0 HG2 LYS A 28 4.818 -13.356 11.397 1.00 4.35 H new ATOM 0 HG3 LYS A 28 4.841 -15.101 11.242 1.00 4.35 H new ATOM 0 HD2 LYS A 28 3.242 -14.926 12.886 1.00 51.12 H new ATOM 0 HD3 LYS A 28 4.661 -15.001 13.911 1.00 51.12 H new ATOM 0 HE2 LYS A 28 3.726 -12.312 12.918 1.00 54.21 H new ATOM 0 HE3 LYS A 28 2.844 -13.084 14.221 1.00 54.21 H new ATOM 0 HZ1 LYS A 28 4.408 -11.909 15.375 1.00 52.40 H new ATOM 0 HZ2 LYS A 28 5.229 -13.387 15.215 1.00 52.40 H new ATOM 0 HZ3 LYS A 28 5.610 -12.088 14.189 1.00 52.40 H new ATOM 427 N VAL A 29 7.885 -16.464 10.402 1.00 55.33 N ATOM 428 CA VAL A 29 7.850 -17.232 9.162 1.00 74.14 C ATOM 429 C VAL A 29 8.486 -18.605 9.350 1.00 45.15 C ATOM 430 O VAL A 29 7.911 -19.624 8.967 1.00 41.12 O ATOM 431 CB VAL A 29 8.575 -16.493 8.023 1.00 72.33 C ATOM 432 CG1 VAL A 29 8.369 -17.216 6.700 1.00 62.33 C ATOM 433 CG2 VAL A 29 8.096 -15.052 7.933 1.00 32.35 C ATOM 0 H VAL A 29 8.706 -15.868 10.506 1.00 55.33 H new ATOM 0 HA VAL A 29 6.801 -17.354 8.894 1.00 74.14 H new ATOM 0 HB VAL A 29 9.643 -16.484 8.242 1.00 72.33 H new ATOM 0 HG11 VAL A 29 8.889 -16.679 5.907 1.00 62.33 H new ATOM 0 HG12 VAL A 29 8.766 -18.228 6.773 1.00 62.33 H new ATOM 0 HG13 VAL A 29 7.304 -17.260 6.471 1.00 62.33 H new ATOM 0 HG21 VAL A 29 8.619 -14.545 7.122 1.00 32.35 H new ATOM 0 HG22 VAL A 29 7.024 -15.037 7.739 1.00 32.35 H new ATOM 0 HG23 VAL A 29 8.302 -14.541 8.874 1.00 32.35 H new ATOM 443 N LEU A 30 9.675 -18.624 9.941 1.00 22.41 N ATOM 444 CA LEU A 30 10.392 -19.872 10.179 1.00 71.11 C ATOM 445 C LEU A 30 9.515 -20.865 10.936 1.00 21.34 C ATOM 446 O LEU A 30 9.505 -22.059 10.629 1.00 3.24 O ATOM 447 CB LEU A 30 11.675 -19.603 10.968 1.00 44.45 C ATOM 448 CG LEU A 30 12.882 -19.146 10.148 1.00 70.12 C ATOM 449 CD1 LEU A 30 12.893 -17.630 10.014 1.00 63.35 C ATOM 450 CD2 LEU A 30 14.175 -19.636 10.783 1.00 70.44 C ATOM 0 H LEU A 30 10.164 -17.789 10.265 1.00 22.41 H new ATOM 0 HA LEU A 30 10.651 -20.305 9.213 1.00 71.11 H new ATOM 0 HB2 LEU A 30 11.463 -18.843 11.720 1.00 44.45 H new ATOM 0 HB3 LEU A 30 11.947 -20.513 11.502 1.00 44.45 H new ATOM 0 HG LEU A 30 12.804 -19.578 9.150 1.00 70.12 H new ATOM 0 HD11 LEU A 30 13.759 -17.323 9.427 1.00 63.35 H new ATOM 0 HD12 LEU A 30 11.981 -17.302 9.514 1.00 63.35 H new ATOM 0 HD13 LEU A 30 12.947 -17.178 11.004 1.00 63.35 H new ATOM 0 HD21 LEU A 30 15.023 -19.301 10.186 1.00 70.44 H new ATOM 0 HD22 LEU A 30 14.260 -19.233 11.792 1.00 70.44 H new ATOM 0 HD23 LEU A 30 14.169 -20.725 10.826 1.00 70.44 H new ATOM 462 N LYS A 31 8.779 -20.367 11.922 1.00 35.54 N ATOM 463 CA LYS A 31 7.897 -21.209 12.720 1.00 4.33 C ATOM 464 C LYS A 31 6.724 -21.712 11.886 1.00 65.22 C ATOM 465 O LYS A 31 6.178 -22.783 12.149 1.00 4.33 O ATOM 466 CB LYS A 31 7.378 -20.435 13.934 1.00 23.41 C ATOM 467 CG LYS A 31 6.323 -19.398 13.588 1.00 4.34 C ATOM 468 CD LYS A 31 6.096 -18.430 14.738 1.00 42.12 C ATOM 469 CE LYS A 31 5.504 -19.133 15.949 1.00 21.52 C ATOM 470 NZ LYS A 31 4.259 -19.875 15.607 1.00 51.51 N1+ ATOM 0 H LYS A 31 8.776 -19.382 12.188 1.00 35.54 H new ATOM 0 HA LYS A 31 8.471 -22.069 13.064 1.00 4.33 H new ATOM 0 HB2 LYS A 31 6.960 -21.140 14.653 1.00 23.41 H new ATOM 0 HB3 LYS A 31 8.216 -19.939 14.424 1.00 23.41 H new ATOM 0 HG2 LYS A 31 6.632 -18.845 12.701 1.00 4.34 H new ATOM 0 HG3 LYS A 31 5.386 -19.898 13.342 1.00 4.34 H new ATOM 0 HD2 LYS A 31 7.041 -17.962 15.013 1.00 42.12 H new ATOM 0 HD3 LYS A 31 5.427 -17.632 14.416 1.00 42.12 H new ATOM 0 HE2 LYS A 31 6.238 -19.826 16.361 1.00 21.52 H new ATOM 0 HE3 LYS A 31 5.287 -18.399 16.725 1.00 21.52 H new ATOM 0 HZ1 LYS A 31 3.778 -20.168 16.481 1.00 51.51 H new ATOM 0 HZ2 LYS A 31 3.629 -19.259 15.055 1.00 51.51 H new ATOM 0 HZ3 LYS A 31 4.500 -20.717 15.046 1.00 51.51 H new ATOM 484 N GLN A 32 6.342 -20.932 10.879 1.00 0.41 N ATOM 485 CA GLN A 32 5.234 -21.300 10.005 1.00 31.03 C ATOM 486 C GLN A 32 5.690 -22.282 8.932 1.00 72.23 C ATOM 487 O GLN A 32 4.915 -23.123 8.476 1.00 71.20 O ATOM 488 CB GLN A 32 4.635 -20.052 9.353 1.00 14.11 C ATOM 489 CG GLN A 32 3.288 -20.299 8.692 1.00 32.21 C ATOM 490 CD GLN A 32 2.301 -20.981 9.617 1.00 64.43 C ATOM 491 OE1 GLN A 32 1.705 -22.000 9.268 1.00 13.23 O ATOM 492 NE2 GLN A 32 2.120 -20.420 10.808 1.00 2.52 N ATOM 0 H GLN A 32 6.783 -20.042 10.649 1.00 0.41 H new ATOM 0 HA GLN A 32 4.470 -21.785 10.613 1.00 31.03 H new ATOM 0 HB2 GLN A 32 4.522 -19.275 10.109 1.00 14.11 H new ATOM 0 HB3 GLN A 32 5.332 -19.672 8.607 1.00 14.11 H new ATOM 0 HG2 GLN A 32 2.871 -19.348 8.359 1.00 32.21 H new ATOM 0 HG3 GLN A 32 3.431 -20.913 7.803 1.00 32.21 H new ATOM 0 HE21 GLN A 32 2.634 -19.575 11.057 1.00 2.52 H new ATOM 0 HE22 GLN A 32 1.467 -20.834 11.473 1.00 2.52 H new ATOM 501 N TYR A 33 6.951 -22.168 8.531 1.00 71.01 N ATOM 502 CA TYR A 33 7.509 -23.044 7.507 1.00 11.44 C ATOM 503 C TYR A 33 7.526 -24.494 7.981 1.00 52.42 C ATOM 504 O TYR A 33 7.150 -25.404 7.243 1.00 14.22 O ATOM 505 CB TYR A 33 8.927 -22.599 7.144 1.00 65.32 C ATOM 506 CG TYR A 33 9.503 -23.327 5.950 1.00 22.44 C ATOM 507 CD1 TYR A 33 10.035 -24.604 6.080 1.00 13.33 C ATOM 508 CD2 TYR A 33 9.514 -22.737 4.691 1.00 51.13 C ATOM 509 CE1 TYR A 33 10.562 -25.271 4.991 1.00 41.43 C ATOM 510 CE2 TYR A 33 10.038 -23.399 3.597 1.00 13.20 C ATOM 511 CZ TYR A 33 10.561 -24.665 3.753 1.00 71.22 C ATOM 512 OH TYR A 33 11.086 -25.327 2.665 1.00 45.24 O ATOM 0 H TYR A 33 7.606 -21.478 8.899 1.00 71.01 H new ATOM 0 HA TYR A 33 6.876 -22.977 6.623 1.00 11.44 H new ATOM 0 HB2 TYR A 33 8.921 -21.529 6.938 1.00 65.32 H new ATOM 0 HB3 TYR A 33 9.579 -22.755 8.003 1.00 65.32 H new ATOM 0 HD1 TYR A 33 10.037 -25.083 7.048 1.00 13.33 H new ATOM 0 HD2 TYR A 33 9.106 -21.745 4.566 1.00 51.13 H new ATOM 0 HE1 TYR A 33 10.973 -26.263 5.109 1.00 41.43 H new ATOM 0 HE2 TYR A 33 10.038 -22.927 2.625 1.00 13.20 H new ATOM 0 HH TYR A 33 11.007 -24.762 1.869 1.00 45.24 H new ATOM 522 N ALA A 34 7.963 -24.700 9.219 1.00 65.10 N ATOM 523 CA ALA A 34 8.026 -26.039 9.793 1.00 15.14 C ATOM 524 C ALA A 34 6.646 -26.513 10.232 1.00 13.42 C ATOM 525 O ALA A 34 6.239 -27.633 9.928 1.00 52.15 O ATOM 526 CB ALA A 34 8.993 -26.063 10.969 1.00 34.13 C ATOM 0 H ALA A 34 8.278 -23.958 9.843 1.00 65.10 H new ATOM 0 HA ALA A 34 8.388 -26.721 9.024 1.00 15.14 H new ATOM 0 HB1 ALA A 34 9.031 -27.068 11.389 1.00 34.13 H new ATOM 0 HB2 ALA A 34 9.987 -25.774 10.628 1.00 34.13 H new ATOM 0 HB3 ALA A 34 8.654 -25.364 11.733 1.00 34.13 H new ATOM 532 N ASN A 35 5.929 -25.654 10.951 1.00 4.40 N ATOM 533 CA ASN A 35 4.595 -25.988 11.432 1.00 31.34 C ATOM 534 C ASN A 35 3.680 -26.376 10.273 1.00 43.03 C ATOM 535 O ASN A 35 2.911 -27.331 10.371 1.00 20.12 O ATOM 536 CB ASN A 35 3.995 -24.804 12.195 1.00 3.41 C ATOM 537 CG ASN A 35 2.626 -25.120 12.768 1.00 1.54 C ATOM 538 OD1 ASN A 35 2.510 -25.640 13.877 1.00 2.23 O ATOM 539 ND2 ASN A 35 1.582 -24.804 12.010 1.00 14.42 N ATOM 0 H ASN A 35 6.251 -24.722 11.213 1.00 4.40 H new ATOM 0 HA ASN A 35 4.681 -26.841 12.105 1.00 31.34 H new ATOM 0 HB2 ASN A 35 4.667 -24.518 13.004 1.00 3.41 H new ATOM 0 HB3 ASN A 35 3.917 -23.946 11.527 1.00 3.41 H new ATOM 0 HD21 ASN A 35 0.636 -24.991 12.341 1.00 14.42 H new ATOM 0 HD22 ASN A 35 1.727 -24.374 11.096 1.00 14.42 H new ATOM 546 N ASP A 36 3.770 -25.627 9.181 1.00 53.14 N ATOM 547 CA ASP A 36 2.952 -25.894 8.003 1.00 3.55 C ATOM 548 C ASP A 36 3.105 -27.342 7.551 1.00 42.33 C ATOM 549 O ASP A 36 2.163 -27.947 7.039 1.00 4.33 O ATOM 550 CB ASP A 36 3.337 -24.948 6.864 1.00 33.04 C ATOM 551 CG ASP A 36 2.643 -25.297 5.562 1.00 53.01 C ATOM 552 OD1 ASP A 36 1.395 -25.260 5.524 1.00 24.45 O ATOM 553 OD2 ASP A 36 3.349 -25.609 4.580 1.00 4.10 O1- ATOM 0 H ASP A 36 4.400 -24.831 9.086 1.00 53.14 H new ATOM 0 HA ASP A 36 1.909 -25.724 8.270 1.00 3.55 H new ATOM 0 HB2 ASP A 36 3.085 -23.925 7.144 1.00 33.04 H new ATOM 0 HB3 ASP A 36 4.417 -24.981 6.717 1.00 33.04 H new ATOM 558 N ASN A 37 4.299 -27.894 7.742 1.00 42.23 N ATOM 559 CA ASN A 37 4.575 -29.271 7.353 1.00 52.53 C ATOM 560 C ASN A 37 4.244 -30.235 8.488 1.00 42.51 C ATOM 561 O ASN A 37 4.086 -31.436 8.273 1.00 31.02 O ATOM 562 CB ASN A 37 6.045 -29.425 6.952 1.00 15.40 C ATOM 563 CG ASN A 37 6.341 -28.808 5.598 1.00 24.42 C ATOM 564 OD1 ASN A 37 6.705 -29.506 4.653 1.00 60.52 O ATOM 565 ND2 ASN A 37 6.186 -27.493 5.502 1.00 73.23 N ATOM 0 H ASN A 37 5.090 -27.408 8.164 1.00 42.23 H new ATOM 0 HA ASN A 37 3.943 -29.513 6.498 1.00 52.53 H new ATOM 0 HB2 ASN A 37 6.676 -28.957 7.708 1.00 15.40 H new ATOM 0 HB3 ASN A 37 6.304 -30.483 6.931 1.00 15.40 H new ATOM 0 HD21 ASN A 37 6.371 -27.021 4.617 1.00 73.23 H new ATOM 0 HD22 ASN A 37 5.882 -26.955 6.313 1.00 73.23 H new ATOM 572 N GLY A 38 4.141 -29.699 9.701 1.00 51.42 N ATOM 573 CA GLY A 38 3.828 -30.524 10.854 1.00 22.24 C ATOM 574 C GLY A 38 5.066 -30.935 11.626 1.00 34.14 C ATOM 575 O GLY A 38 5.105 -32.011 12.223 1.00 33.12 O ATOM 0 H GLY A 38 4.269 -28.708 9.906 1.00 51.42 H new ATOM 0 HA2 GLY A 38 3.156 -29.978 11.516 1.00 22.24 H new ATOM 0 HA3 GLY A 38 3.296 -31.417 10.525 1.00 22.24 H new ATOM 579 N ILE A 39 6.081 -30.077 11.613 1.00 5.41 N ATOM 580 CA ILE A 39 7.326 -30.357 12.317 1.00 43.12 C ATOM 581 C ILE A 39 7.252 -29.897 13.769 1.00 65.21 C ATOM 582 O ILE A 39 6.833 -28.775 14.054 1.00 75.24 O ATOM 583 CB ILE A 39 8.525 -29.672 11.634 1.00 74.04 C ATOM 584 CG1 ILE A 39 8.639 -30.127 10.177 1.00 32.44 C ATOM 585 CG2 ILE A 39 9.809 -29.974 12.392 1.00 24.24 C ATOM 586 CD1 ILE A 39 9.555 -29.260 9.343 1.00 45.32 C ATOM 0 H ILE A 39 6.065 -29.183 11.123 1.00 5.41 H new ATOM 0 HA ILE A 39 7.469 -31.437 12.287 1.00 43.12 H new ATOM 0 HB ILE A 39 8.364 -28.594 11.646 1.00 74.04 H new ATOM 0 HG12 ILE A 39 9.003 -31.154 10.153 1.00 32.44 H new ATOM 0 HG13 ILE A 39 7.646 -30.130 9.727 1.00 32.44 H new ATOM 0 HG21 ILE A 39 10.647 -29.483 11.898 1.00 24.24 H new ATOM 0 HG22 ILE A 39 9.724 -29.605 13.414 1.00 24.24 H new ATOM 0 HG23 ILE A 39 9.977 -31.051 12.408 1.00 24.24 H new ATOM 0 HD11 ILE A 39 9.588 -29.641 8.322 1.00 45.32 H new ATOM 0 HD12 ILE A 39 9.180 -28.236 9.336 1.00 45.32 H new ATOM 0 HD13 ILE A 39 10.558 -29.276 9.769 1.00 45.32 H new ATOM 598 N ASP A 40 7.663 -30.770 14.681 1.00 61.20 N ATOM 599 CA ASP A 40 7.646 -30.454 16.105 1.00 24.44 C ATOM 600 C ASP A 40 8.738 -31.220 16.845 1.00 75.15 C ATOM 601 O ASP A 40 8.864 -32.436 16.701 1.00 21.14 O ATOM 602 CB ASP A 40 6.278 -30.782 16.705 1.00 21.12 C ATOM 603 CG ASP A 40 5.988 -32.271 16.706 1.00 61.13 C ATOM 604 OD1 ASP A 40 5.725 -32.823 15.616 1.00 32.42 O ATOM 605 OD2 ASP A 40 6.023 -32.881 17.793 1.00 33.42 O1- ATOM 0 H ASP A 40 8.012 -31.703 14.460 1.00 61.20 H new ATOM 0 HA ASP A 40 7.837 -29.387 16.218 1.00 24.44 H new ATOM 0 HB2 ASP A 40 6.233 -30.405 17.727 1.00 21.12 H new ATOM 0 HB3 ASP A 40 5.503 -30.264 16.140 1.00 21.12 H new ATOM 610 N GLY A 41 9.525 -30.500 17.638 1.00 21.24 N ATOM 611 CA GLY A 41 10.597 -31.129 18.388 1.00 13.12 C ATOM 612 C GLY A 41 11.349 -30.143 19.260 1.00 54.42 C ATOM 613 O GLY A 41 10.779 -29.159 19.729 1.00 31.04 O ATOM 0 H GLY A 41 9.440 -29.493 17.775 1.00 21.24 H new ATOM 0 HA2 GLY A 41 10.183 -31.921 19.013 1.00 13.12 H new ATOM 0 HA3 GLY A 41 11.293 -31.601 17.695 1.00 13.12 H new ATOM 617 N GLU A 42 12.633 -30.411 19.482 1.00 64.11 N ATOM 618 CA GLU A 42 13.462 -29.539 20.306 1.00 65.43 C ATOM 619 C GLU A 42 13.932 -28.324 19.514 1.00 12.22 C ATOM 620 O GLU A 42 14.950 -28.374 18.825 1.00 14.12 O ATOM 621 CB GLU A 42 14.671 -30.310 20.844 1.00 1.43 C ATOM 622 CG GLU A 42 14.397 -31.041 22.147 1.00 20.13 C ATOM 623 CD GLU A 42 15.659 -31.587 22.787 1.00 40.20 C ATOM 624 OE1 GLU A 42 16.390 -30.799 23.422 1.00 2.41 O ATOM 625 OE2 GLU A 42 15.915 -32.802 22.652 1.00 21.53 O1- ATOM 0 H GLU A 42 13.120 -31.223 19.103 1.00 64.11 H new ATOM 0 HA GLU A 42 12.857 -29.191 21.144 1.00 65.43 H new ATOM 0 HB2 GLU A 42 14.994 -31.032 20.094 1.00 1.43 H new ATOM 0 HB3 GLU A 42 15.497 -29.615 20.994 1.00 1.43 H new ATOM 0 HG2 GLU A 42 13.905 -30.362 22.844 1.00 20.13 H new ATOM 0 HG3 GLU A 42 13.705 -31.862 21.960 1.00 20.13 H new ATOM 632 N TRP A 43 13.182 -27.233 19.616 1.00 12.33 N ATOM 633 CA TRP A 43 13.519 -26.003 18.909 1.00 44.33 C ATOM 634 C TRP A 43 14.618 -25.240 19.639 1.00 24.52 C ATOM 635 O TRP A 43 14.496 -24.939 20.826 1.00 14.53 O ATOM 636 CB TRP A 43 12.280 -25.120 18.758 1.00 25.15 C ATOM 637 CG TRP A 43 11.477 -25.425 17.529 1.00 35.14 C ATOM 638 CD1 TRP A 43 10.615 -26.469 17.352 1.00 73.03 C ATOM 639 CD2 TRP A 43 11.467 -24.681 16.306 1.00 24.03 C ATOM 640 NE1 TRP A 43 10.067 -26.416 16.093 1.00 43.32 N ATOM 641 CE2 TRP A 43 10.573 -25.329 15.432 1.00 4.35 C ATOM 642 CE3 TRP A 43 12.123 -23.527 15.866 1.00 72.51 C ATOM 643 CZ2 TRP A 43 10.323 -24.863 14.145 1.00 45.31 C ATOM 644 CZ3 TRP A 43 11.874 -23.067 14.587 1.00 3.34 C ATOM 645 CH2 TRP A 43 10.980 -23.732 13.739 1.00 12.41 C ATOM 0 H TRP A 43 12.336 -27.175 20.182 1.00 12.33 H new ATOM 0 HA TRP A 43 13.886 -26.272 17.918 1.00 44.33 H new ATOM 0 HB2 TRP A 43 11.646 -25.243 19.636 1.00 25.15 H new ATOM 0 HB3 TRP A 43 12.589 -24.075 18.731 1.00 25.15 H new ATOM 0 HD1 TRP A 43 10.396 -27.225 18.092 1.00 73.03 H new ATOM 0 HE1 TRP A 43 9.392 -27.079 15.712 1.00 43.32 H new ATOM 0 HE3 TRP A 43 12.812 -23.005 16.514 1.00 72.51 H new ATOM 0 HZ2 TRP A 43 9.635 -25.375 13.489 1.00 45.31 H new ATOM 0 HZ3 TRP A 43 12.378 -22.179 14.235 1.00 3.34 H new ATOM 0 HH2 TRP A 43 10.805 -23.346 12.746 1.00 12.41 H new ATOM 656 N THR A 44 15.694 -24.926 18.921 1.00 34.53 N ATOM 657 CA THR A 44 16.814 -24.198 19.502 1.00 65.03 C ATOM 658 C THR A 44 17.181 -22.986 18.654 1.00 54.41 C ATOM 659 O THR A 44 17.347 -23.095 17.438 1.00 30.31 O ATOM 660 CB THR A 44 18.053 -25.101 19.651 1.00 61.21 C ATOM 661 OG1 THR A 44 18.638 -25.346 18.368 1.00 24.22 O ATOM 662 CG2 THR A 44 17.684 -26.424 20.307 1.00 35.31 C ATOM 0 H THR A 44 15.812 -25.165 17.936 1.00 34.53 H new ATOM 0 HA THR A 44 16.496 -23.864 20.490 1.00 65.03 H new ATOM 0 HB THR A 44 18.774 -24.588 20.287 1.00 61.21 H new ATOM 0 HG1 THR A 44 17.950 -25.675 17.752 1.00 24.22 H new ATOM 0 HG21 THR A 44 18.575 -27.044 20.401 1.00 35.31 H new ATOM 0 HG22 THR A 44 17.267 -26.236 21.296 1.00 35.31 H new ATOM 0 HG23 THR A 44 16.946 -26.941 19.694 1.00 35.31 H new ATOM 670 N TYR A 45 17.309 -21.834 19.301 1.00 42.04 N ATOM 671 CA TYR A 45 17.656 -20.601 18.604 1.00 11.43 C ATOM 672 C TYR A 45 18.951 -20.010 19.153 1.00 51.14 C ATOM 673 O TYR A 45 19.172 -19.992 20.364 1.00 5.30 O ATOM 674 CB TYR A 45 16.522 -19.582 18.732 1.00 44.21 C ATOM 675 CG TYR A 45 16.297 -19.101 20.147 1.00 0.20 C ATOM 676 CD1 TYR A 45 17.039 -18.049 20.670 1.00 21.12 C ATOM 677 CD2 TYR A 45 15.345 -19.700 20.963 1.00 61.13 C ATOM 678 CE1 TYR A 45 16.837 -17.607 21.963 1.00 52.42 C ATOM 679 CE2 TYR A 45 15.136 -19.264 22.257 1.00 11.21 C ATOM 680 CZ TYR A 45 15.885 -18.217 22.753 1.00 74.21 C ATOM 681 OH TYR A 45 15.681 -17.779 24.042 1.00 75.43 O ATOM 0 H TYR A 45 17.178 -21.728 20.307 1.00 42.04 H new ATOM 0 HA TYR A 45 17.805 -20.839 17.551 1.00 11.43 H new ATOM 0 HB2 TYR A 45 16.742 -18.724 18.096 1.00 44.21 H new ATOM 0 HB3 TYR A 45 15.600 -20.028 18.358 1.00 44.21 H new ATOM 0 HD1 TYR A 45 17.786 -17.569 20.055 1.00 21.12 H new ATOM 0 HD2 TYR A 45 14.758 -20.521 20.579 1.00 61.13 H new ATOM 0 HE1 TYR A 45 17.422 -16.787 22.354 1.00 52.42 H new ATOM 0 HE2 TYR A 45 14.391 -19.740 22.877 1.00 11.21 H new ATOM 0 HH TYR A 45 14.975 -18.314 24.461 1.00 75.43 H new ATOM 691 N ASP A 46 19.801 -19.528 18.254 1.00 21.33 N ATOM 692 CA ASP A 46 21.074 -18.934 18.648 1.00 1.32 C ATOM 693 C ASP A 46 21.093 -17.440 18.345 1.00 61.15 C ATOM 694 O ASP A 46 20.686 -17.009 17.265 1.00 72.22 O ATOM 695 CB ASP A 46 22.230 -19.628 17.924 1.00 43.44 C ATOM 696 CG ASP A 46 23.081 -20.463 18.860 1.00 51.23 C ATOM 697 OD1 ASP A 46 24.283 -20.640 18.570 1.00 21.34 O ATOM 698 OD2 ASP A 46 22.545 -20.937 19.883 1.00 62.22 O1- ATOM 0 H ASP A 46 19.633 -19.537 17.248 1.00 21.33 H new ATOM 0 HA ASP A 46 21.193 -19.070 19.723 1.00 1.32 H new ATOM 0 HB2 ASP A 46 21.831 -20.265 17.135 1.00 43.44 H new ATOM 0 HB3 ASP A 46 22.856 -18.877 17.441 1.00 43.44 H new ATOM 703 N ASP A 47 21.566 -16.653 19.306 1.00 41.54 N ATOM 704 CA ASP A 47 21.636 -15.205 19.143 1.00 4.41 C ATOM 705 C ASP A 47 22.976 -14.792 18.541 1.00 62.25 C ATOM 706 O ASP A 47 23.084 -13.747 17.900 1.00 5.11 O ATOM 707 CB ASP A 47 21.431 -14.508 20.489 1.00 71.13 C ATOM 708 CG ASP A 47 21.080 -13.042 20.334 1.00 1.25 C ATOM 709 OD1 ASP A 47 21.937 -12.275 19.845 1.00 61.20 O ATOM 710 OD2 ASP A 47 19.948 -12.661 20.700 1.00 74.15 O1- ATOM 0 H ASP A 47 21.906 -16.993 20.205 1.00 41.54 H new ATOM 0 HA ASP A 47 20.842 -14.901 18.461 1.00 4.41 H new ATOM 0 HB2 ASP A 47 20.637 -15.013 21.039 1.00 71.13 H new ATOM 0 HB3 ASP A 47 22.339 -14.600 21.085 1.00 71.13 H new ATOM 715 N ALA A 48 23.996 -15.618 18.754 1.00 25.10 N ATOM 716 CA ALA A 48 25.327 -15.339 18.232 1.00 40.24 C ATOM 717 C ALA A 48 25.399 -15.615 16.734 1.00 31.42 C ATOM 718 O ALA A 48 25.801 -14.753 15.952 1.00 53.32 O ATOM 719 CB ALA A 48 26.368 -16.164 18.973 1.00 4.21 C ATOM 0 H ALA A 48 23.925 -16.486 19.285 1.00 25.10 H new ATOM 0 HA ALA A 48 25.538 -14.281 18.390 1.00 40.24 H new ATOM 0 HB1 ALA A 48 27.358 -15.945 18.573 1.00 4.21 H new ATOM 0 HB2 ALA A 48 26.342 -15.914 20.034 1.00 4.21 H new ATOM 0 HB3 ALA A 48 26.151 -17.224 18.845 1.00 4.21 H new ATOM 725 N THR A 49 25.006 -16.822 16.339 1.00 12.11 N ATOM 726 CA THR A 49 25.027 -17.211 14.935 1.00 74.11 C ATOM 727 C THR A 49 23.749 -16.781 14.226 1.00 70.20 C ATOM 728 O THR A 49 23.689 -16.747 12.996 1.00 32.42 O ATOM 729 CB THR A 49 25.201 -18.734 14.778 1.00 24.41 C ATOM 730 OG1 THR A 49 24.081 -19.417 15.350 1.00 1.21 O ATOM 731 CG2 THR A 49 26.484 -19.203 15.446 1.00 41.21 C ATOM 0 H THR A 49 24.669 -17.547 16.972 1.00 12.11 H new ATOM 0 HA THR A 49 25.879 -16.706 14.479 1.00 74.11 H new ATOM 0 HB THR A 49 25.260 -18.963 13.714 1.00 24.41 H new ATOM 0 HG1 THR A 49 24.199 -20.384 15.244 1.00 1.21 H new ATOM 0 HG21 THR A 49 26.586 -20.281 15.322 1.00 41.21 H new ATOM 0 HG22 THR A 49 27.337 -18.703 14.987 1.00 41.21 H new ATOM 0 HG23 THR A 49 26.450 -18.961 16.508 1.00 41.21 H new ATOM 739 N LYS A 50 22.725 -16.452 15.007 1.00 21.45 N ATOM 740 CA LYS A 50 21.446 -16.022 14.455 1.00 24.50 C ATOM 741 C LYS A 50 20.860 -17.094 13.542 1.00 44.50 C ATOM 742 O LYS A 50 20.384 -16.799 12.444 1.00 62.24 O ATOM 743 CB LYS A 50 21.618 -14.714 13.678 1.00 43.32 C ATOM 744 CG LYS A 50 21.673 -13.484 14.566 1.00 63.34 C ATOM 745 CD LYS A 50 20.308 -13.152 15.148 1.00 34.24 C ATOM 746 CE LYS A 50 20.429 -12.323 16.415 1.00 43.43 C ATOM 747 NZ LYS A 50 19.095 -12.000 16.995 1.00 51.44 N1+ ATOM 0 H LYS A 50 22.757 -16.475 16.026 1.00 21.45 H new ATOM 0 HA LYS A 50 20.757 -15.859 15.283 1.00 24.50 H new ATOM 0 HB2 LYS A 50 22.534 -14.768 13.089 1.00 43.32 H new ATOM 0 HB3 LYS A 50 20.792 -14.608 12.974 1.00 43.32 H new ATOM 0 HG2 LYS A 50 22.384 -13.651 15.376 1.00 63.34 H new ATOM 0 HG3 LYS A 50 22.040 -12.635 13.990 1.00 63.34 H new ATOM 0 HD2 LYS A 50 19.720 -12.607 14.410 1.00 34.24 H new ATOM 0 HD3 LYS A 50 19.770 -14.075 15.366 1.00 34.24 H new ATOM 0 HE2 LYS A 50 21.023 -12.867 17.150 1.00 43.43 H new ATOM 0 HE3 LYS A 50 20.963 -11.399 16.195 1.00 43.43 H new ATOM 0 HZ1 LYS A 50 19.220 -11.433 17.858 1.00 51.44 H new ATOM 0 HZ2 LYS A 50 18.538 -11.459 16.303 1.00 51.44 H new ATOM 0 HZ3 LYS A 50 18.595 -12.882 17.229 1.00 51.44 H new ATOM 761 N THR A 51 20.896 -18.341 14.001 1.00 11.32 N ATOM 762 CA THR A 51 20.367 -19.456 13.227 1.00 1.22 C ATOM 763 C THR A 51 19.513 -20.373 14.095 1.00 61.11 C ATOM 764 O THR A 51 19.810 -20.588 15.270 1.00 14.31 O ATOM 765 CB THR A 51 21.500 -20.283 12.589 1.00 32.44 C ATOM 766 OG1 THR A 51 22.268 -19.461 11.705 1.00 5.41 O ATOM 767 CG2 THR A 51 20.937 -21.471 11.823 1.00 11.53 C ATOM 0 H THR A 51 21.287 -18.604 14.906 1.00 11.32 H new ATOM 0 HA THR A 51 19.749 -19.028 12.438 1.00 1.22 H new ATOM 0 HB THR A 51 22.142 -20.656 13.387 1.00 32.44 H new ATOM 0 HG1 THR A 51 22.987 -19.994 11.305 1.00 5.41 H new ATOM 0 HG21 THR A 51 21.755 -22.040 11.381 1.00 11.53 H new ATOM 0 HG22 THR A 51 20.376 -22.111 12.505 1.00 11.53 H new ATOM 0 HG23 THR A 51 20.275 -21.114 11.033 1.00 11.53 H new ATOM 775 N PHE A 52 18.448 -20.911 13.509 1.00 30.20 N ATOM 776 CA PHE A 52 17.549 -21.805 14.230 1.00 4.54 C ATOM 777 C PHE A 52 17.817 -23.260 13.861 1.00 30.30 C ATOM 778 O PHE A 52 18.291 -23.558 12.764 1.00 21.14 O ATOM 779 CB PHE A 52 16.092 -21.450 13.926 1.00 12.04 C ATOM 780 CG PHE A 52 15.659 -20.136 14.510 1.00 74.44 C ATOM 781 CD1 PHE A 52 14.742 -20.094 15.549 1.00 35.05 C ATOM 782 CD2 PHE A 52 16.168 -18.944 14.022 1.00 63.21 C ATOM 783 CE1 PHE A 52 14.343 -18.886 16.090 1.00 30.21 C ATOM 784 CE2 PHE A 52 15.772 -17.735 14.558 1.00 0.41 C ATOM 785 CZ PHE A 52 14.858 -17.705 15.593 1.00 61.44 C ATOM 0 H PHE A 52 18.187 -20.744 12.537 1.00 30.20 H new ATOM 0 HA PHE A 52 17.732 -21.680 15.297 1.00 4.54 H new ATOM 0 HB2 PHE A 52 15.952 -21.422 12.845 1.00 12.04 H new ATOM 0 HB3 PHE A 52 15.446 -22.240 14.311 1.00 12.04 H new ATOM 0 HD1 PHE A 52 14.335 -21.015 15.940 1.00 35.05 H new ATOM 0 HD2 PHE A 52 16.883 -18.960 13.213 1.00 63.21 H new ATOM 0 HE1 PHE A 52 13.629 -18.866 16.900 1.00 30.21 H new ATOM 0 HE2 PHE A 52 16.177 -16.813 14.168 1.00 0.41 H new ATOM 0 HZ PHE A 52 14.547 -16.760 16.013 1.00 61.44 H new ATOM 795 N THR A 53 17.515 -24.165 14.787 1.00 0.11 N ATOM 796 CA THR A 53 17.725 -25.589 14.562 1.00 21.01 C ATOM 797 C THR A 53 16.825 -26.427 15.463 1.00 13.54 C ATOM 798 O THR A 53 17.031 -26.493 16.674 1.00 65.33 O ATOM 799 CB THR A 53 19.193 -25.987 14.810 1.00 71.55 C ATOM 800 OG1 THR A 53 20.051 -25.266 13.918 1.00 33.14 O ATOM 801 CG2 THR A 53 19.389 -27.483 14.612 1.00 42.43 C ATOM 0 H THR A 53 17.124 -23.936 15.701 1.00 0.11 H new ATOM 0 HA THR A 53 17.474 -25.784 13.519 1.00 21.01 H new ATOM 0 HB THR A 53 19.446 -25.737 15.840 1.00 71.55 H new ATOM 0 HG1 THR A 53 20.983 -25.522 14.082 1.00 33.14 H new ATOM 0 HG21 THR A 53 20.433 -27.740 14.792 1.00 42.43 H new ATOM 0 HG22 THR A 53 18.755 -28.029 15.311 1.00 42.43 H new ATOM 0 HG23 THR A 53 19.120 -27.753 13.591 1.00 42.43 H new ATOM 809 N VAL A 54 15.826 -27.068 14.863 1.00 41.10 N ATOM 810 CA VAL A 54 14.896 -27.903 15.612 1.00 72.00 C ATOM 811 C VAL A 54 15.264 -29.378 15.493 1.00 45.11 C ATOM 812 O VAL A 54 15.350 -29.923 14.392 1.00 12.34 O ATOM 813 CB VAL A 54 13.448 -27.707 15.125 1.00 0.11 C ATOM 814 CG1 VAL A 54 13.347 -27.970 13.630 1.00 3.22 C ATOM 815 CG2 VAL A 54 12.498 -28.609 15.899 1.00 74.40 C ATOM 0 H VAL A 54 15.641 -27.024 13.861 1.00 41.10 H new ATOM 0 HA VAL A 54 14.966 -27.596 16.656 1.00 72.00 H new ATOM 0 HB VAL A 54 13.159 -26.672 15.308 1.00 0.11 H new ATOM 0 HG11 VAL A 54 12.317 -27.827 13.304 1.00 3.22 H new ATOM 0 HG12 VAL A 54 13.997 -27.278 13.094 1.00 3.22 H new ATOM 0 HG13 VAL A 54 13.655 -28.994 13.419 1.00 3.22 H new ATOM 0 HG21 VAL A 54 11.480 -28.457 15.541 1.00 74.40 H new ATOM 0 HG22 VAL A 54 12.783 -29.651 15.750 1.00 74.40 H new ATOM 0 HG23 VAL A 54 12.550 -28.367 16.960 1.00 74.40 H new ATOM 825 N THR A 55 15.481 -30.023 16.636 1.00 72.33 N ATOM 826 CA THR A 55 15.841 -31.434 16.662 1.00 3.13 C ATOM 827 C THR A 55 14.601 -32.315 16.767 1.00 12.32 C ATOM 828 O THR A 55 13.947 -32.359 17.809 1.00 74.03 O ATOM 829 CB THR A 55 16.785 -31.752 17.837 1.00 4.31 C ATOM 830 OG1 THR A 55 17.731 -30.691 18.006 1.00 72.43 O ATOM 831 CG2 THR A 55 17.521 -33.062 17.599 1.00 14.14 C ATOM 0 H THR A 55 15.413 -29.589 17.556 1.00 72.33 H new ATOM 0 HA THR A 55 16.356 -31.646 15.725 1.00 3.13 H new ATOM 0 HB THR A 55 16.185 -31.850 18.741 1.00 4.31 H new ATOM 0 HG1 THR A 55 18.326 -30.900 18.756 1.00 72.43 H new ATOM 0 HG21 THR A 55 18.182 -33.266 18.441 1.00 14.14 H new ATOM 0 HG22 THR A 55 16.799 -33.872 17.500 1.00 14.14 H new ATOM 0 HG23 THR A 55 18.111 -32.987 16.685 1.00 14.14 H new ATOM 839 N GLU A 56 14.284 -33.016 15.683 1.00 21.23 N ATOM 840 CA GLU A 56 13.123 -33.896 15.655 1.00 55.12 C ATOM 841 C GLU A 56 13.469 -35.272 16.219 1.00 33.02 C ATOM 842 O GLU A 56 12.621 -36.162 16.274 1.00 51.44 O ATOM 843 CB GLU A 56 12.595 -34.037 14.226 1.00 55.30 C ATOM 844 CG GLU A 56 11.837 -32.816 13.734 1.00 43.44 C ATOM 845 CD GLU A 56 10.755 -33.165 12.732 1.00 30.12 C ATOM 846 OE1 GLU A 56 11.103 -33.563 11.599 1.00 71.33 O ATOM 847 OE2 GLU A 56 9.562 -33.041 13.077 1.00 70.21 O1- ATOM 0 H GLU A 56 14.815 -32.991 14.813 1.00 21.23 H new ATOM 0 HA GLU A 56 12.348 -33.451 16.278 1.00 55.12 H new ATOM 0 HB2 GLU A 56 13.433 -34.229 13.555 1.00 55.30 H new ATOM 0 HB3 GLU A 56 11.940 -34.906 14.174 1.00 55.30 H new ATOM 0 HG2 GLU A 56 11.387 -32.305 14.585 1.00 43.44 H new ATOM 0 HG3 GLU A 56 12.538 -32.118 13.277 1.00 43.44 H new