USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 SER OG : rot 180:sc= 0.835 USER MOD Set 1.2: A 43 THR OG1 : rot -73:sc= 0.581 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -119:sc=-0.00486 (180deg=-0.47) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 96:sc= 1.45 USER MOD Single : A 16 LYS NZ :NH3+ 158:sc= 0.733 (180deg=0.602) USER MOD Single : A 18 GLN : amide:sc= -0.305 X(o=-0.31,f=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 164:sc= -0.0261 (180deg=-0.376) USER MOD Single : A 35 THR OG1 : rot 72:sc= 0.922 USER MOD Single : A 37 THR OG1 : rot 160:sc= 0.89 USER MOD Single : A 38 LYS NZ :NH3+ -157:sc= 0.772 (180deg=0.415) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= -0.114 K(o=-0.11,f=-0.91) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -161:sc=-0.00802 (180deg=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 64.056 4.974 1.053 1.00 0.00 N ATOM 2 CA ALA A 1 63.048 4.065 1.690 1.00 0.00 C ATOM 3 C ALA A 1 61.586 4.443 1.478 1.00 0.00 C ATOM 4 O ALA A 1 60.843 3.730 0.805 1.00 0.00 O ATOM 5 CB ALA A 1 63.390 4.004 3.192 1.00 0.00 C ATOM 0 H1 ALA A 1 65.015 4.627 1.258 1.00 0.00 H new ATOM 0 H2 ALA A 1 63.907 4.991 0.024 1.00 0.00 H new ATOM 0 H3 ALA A 1 63.947 5.935 1.434 1.00 0.00 H new ATOM 0 HA ALA A 1 63.125 3.094 1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 1 62.680 3.351 3.700 1.00 0.00 H new ATOM 0 HB2 ALA A 1 64.399 3.612 3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 1 63.332 5.005 3.619 1.00 0.00 H new ATOM 13 N SER A 2 61.135 5.582 2.056 1.00 0.00 N ATOM 14 CA SER A 2 59.773 6.074 1.923 1.00 0.00 C ATOM 15 C SER A 2 59.821 7.482 1.383 1.00 0.00 C ATOM 16 O SER A 2 60.762 8.225 1.643 1.00 0.00 O ATOM 17 CB SER A 2 58.988 6.092 3.259 1.00 0.00 C ATOM 18 OG SER A 2 58.824 4.769 3.757 1.00 0.00 O ATOM 0 H SER A 2 61.727 6.181 2.632 1.00 0.00 H new ATOM 0 HA SER A 2 59.253 5.391 1.252 1.00 0.00 H new ATOM 0 HB2 SER A 2 59.519 6.700 3.992 1.00 0.00 H new ATOM 0 HB3 SER A 2 58.012 6.554 3.108 1.00 0.00 H new ATOM 0 HG SER A 2 58.328 4.797 4.602 1.00 0.00 H new ATOM 24 N MET A 3 58.799 7.861 0.586 1.00 0.00 N ATOM 25 CA MET A 3 58.728 9.112 -0.150 1.00 0.00 C ATOM 26 C MET A 3 58.626 10.399 0.665 1.00 0.00 C ATOM 27 O MET A 3 59.200 11.411 0.272 1.00 0.00 O ATOM 28 CB MET A 3 57.565 9.008 -1.178 1.00 0.00 C ATOM 29 CG MET A 3 56.150 8.866 -0.574 1.00 0.00 C ATOM 30 SD MET A 3 54.835 8.565 -1.792 1.00 0.00 S ATOM 31 CE MET A 3 55.244 6.826 -2.131 1.00 0.00 C ATOM 0 H MET A 3 57.978 7.273 0.442 1.00 0.00 H new ATOM 0 HA MET A 3 59.700 9.220 -0.632 1.00 0.00 H new ATOM 0 HB2 MET A 3 57.583 9.895 -1.811 1.00 0.00 H new ATOM 0 HB3 MET A 3 57.752 8.151 -1.825 1.00 0.00 H new ATOM 0 HG2 MET A 3 56.156 8.046 0.144 1.00 0.00 H new ATOM 0 HG3 MET A 3 55.913 9.774 -0.020 1.00 0.00 H new ATOM 0 HE1 MET A 3 55.501 6.711 -3.184 1.00 0.00 H new ATOM 0 HE2 MET A 3 56.092 6.525 -1.515 1.00 0.00 H new ATOM 0 HE3 MET A 3 54.384 6.198 -1.897 1.00 0.00 H new ATOM 41 N VAL A 4 57.891 10.384 1.808 1.00 0.00 N ATOM 42 CA VAL A 4 57.663 11.491 2.744 1.00 0.00 C ATOM 43 C VAL A 4 57.228 12.800 2.067 1.00 0.00 C ATOM 44 O VAL A 4 57.750 13.886 2.310 1.00 0.00 O ATOM 45 CB VAL A 4 58.841 11.697 3.714 1.00 0.00 C ATOM 46 CG1 VAL A 4 58.403 12.538 4.935 1.00 0.00 C ATOM 47 CG2 VAL A 4 59.351 10.333 4.228 1.00 0.00 C ATOM 0 H VAL A 4 57.414 9.535 2.111 1.00 0.00 H new ATOM 0 HA VAL A 4 56.808 11.181 3.345 1.00 0.00 H new ATOM 0 HB VAL A 4 59.631 12.217 3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 4 59.250 12.672 5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 4 58.050 13.513 4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 4 57.599 12.024 5.462 1.00 0.00 H new ATOM 0 HG21 VAL A 4 60.184 10.491 4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 4 58.545 9.816 4.749 1.00 0.00 H new ATOM 0 HG23 VAL A 4 59.684 9.728 3.385 1.00 0.00 H new ATOM 57 N LEU A 5 56.231 12.705 1.157 1.00 0.00 N ATOM 58 CA LEU A 5 55.768 13.832 0.362 1.00 0.00 C ATOM 59 C LEU A 5 54.427 14.365 0.853 1.00 0.00 C ATOM 60 O LEU A 5 54.246 15.572 0.985 1.00 0.00 O ATOM 61 CB LEU A 5 55.718 13.401 -1.127 1.00 0.00 C ATOM 62 CG LEU A 5 55.260 14.470 -2.145 1.00 0.00 C ATOM 63 CD1 LEU A 5 56.135 15.734 -2.114 1.00 0.00 C ATOM 64 CD2 LEU A 5 55.291 13.873 -3.563 1.00 0.00 C ATOM 0 H LEU A 5 55.733 11.836 0.964 1.00 0.00 H new ATOM 0 HA LEU A 5 56.468 14.661 0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 5 56.712 13.060 -1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 5 55.050 12.544 -1.211 1.00 0.00 H new ATOM 0 HG LEU A 5 54.248 14.764 -1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 5 55.767 16.450 -2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 5 56.094 16.181 -1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 5 57.166 15.469 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 5 54.968 14.626 -4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 5 56.306 13.555 -3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 5 54.621 13.015 -3.611 1.00 0.00 H new ATOM 76 N SER A 6 53.451 13.479 1.159 1.00 0.00 N ATOM 77 CA SER A 6 52.158 13.867 1.704 1.00 0.00 C ATOM 78 C SER A 6 51.852 12.923 2.858 1.00 0.00 C ATOM 79 O SER A 6 52.059 11.718 2.687 1.00 0.00 O ATOM 80 CB SER A 6 51.033 13.765 0.638 1.00 0.00 C ATOM 81 OG SER A 6 49.734 14.069 1.153 1.00 0.00 O ATOM 0 H SER A 6 53.553 12.473 1.029 1.00 0.00 H new ATOM 0 HA SER A 6 52.199 14.905 2.034 1.00 0.00 H new ATOM 0 HB2 SER A 6 51.258 14.445 -0.184 1.00 0.00 H new ATOM 0 HB3 SER A 6 51.025 12.757 0.224 1.00 0.00 H new ATOM 0 HG SER A 6 49.071 13.989 0.436 1.00 0.00 H new ATOM 87 N PRO A 7 51.377 13.367 4.032 1.00 0.00 N ATOM 88 CA PRO A 7 51.168 12.490 5.179 1.00 0.00 C ATOM 89 C PRO A 7 50.042 11.493 4.979 1.00 0.00 C ATOM 90 O PRO A 7 50.106 10.414 5.565 1.00 0.00 O ATOM 91 CB PRO A 7 50.863 13.463 6.334 1.00 0.00 C ATOM 92 CG PRO A 7 50.256 14.690 5.645 1.00 0.00 C ATOM 93 CD PRO A 7 51.048 14.762 4.340 1.00 0.00 C ATOM 0 HA PRO A 7 52.039 11.861 5.363 1.00 0.00 H new ATOM 0 HB2 PRO A 7 50.168 13.025 7.050 1.00 0.00 H new ATOM 0 HB3 PRO A 7 51.767 13.723 6.885 1.00 0.00 H new ATOM 0 HG2 PRO A 7 49.188 14.568 5.465 1.00 0.00 H new ATOM 0 HG3 PRO A 7 50.377 15.593 6.244 1.00 0.00 H new ATOM 0 HD2 PRO A 7 50.459 15.216 3.543 1.00 0.00 H new ATOM 0 HD3 PRO A 7 51.948 15.366 4.455 1.00 0.00 H new ATOM 101 N ARG A 8 49.011 11.832 4.168 1.00 0.00 N ATOM 102 CA ARG A 8 47.831 11.008 3.961 1.00 0.00 C ATOM 103 C ARG A 8 48.147 9.696 3.263 1.00 0.00 C ATOM 104 O ARG A 8 47.760 8.610 3.702 1.00 0.00 O ATOM 105 CB ARG A 8 46.787 11.796 3.128 1.00 0.00 C ATOM 106 CG ARG A 8 45.439 11.090 2.859 1.00 0.00 C ATOM 107 CD ARG A 8 44.564 10.912 4.114 1.00 0.00 C ATOM 108 NE ARG A 8 44.921 9.626 4.809 1.00 0.00 N ATOM 109 CZ ARG A 8 45.067 9.498 6.163 1.00 0.00 C ATOM 110 NH1 ARG A 8 44.983 10.583 6.979 1.00 0.00 N ATOM 111 NH2 ARG A 8 45.313 8.261 6.685 1.00 0.00 N ATOM 0 H ARG A 8 48.991 12.703 3.638 1.00 0.00 H new ATOM 0 HA ARG A 8 47.432 10.764 4.946 1.00 0.00 H new ATOM 0 HB2 ARG A 8 46.583 12.736 3.640 1.00 0.00 H new ATOM 0 HB3 ARG A 8 47.237 12.047 2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 8 44.882 11.663 2.118 1.00 0.00 H new ATOM 0 HG3 ARG A 8 45.634 10.110 2.423 1.00 0.00 H new ATOM 0 HD2 ARG A 8 44.709 11.754 4.791 1.00 0.00 H new ATOM 0 HD3 ARG A 8 43.510 10.905 3.835 1.00 0.00 H new ATOM 0 HE ARG A 8 45.063 8.796 4.233 1.00 0.00 H new ATOM 0 HH11 ARG A 8 44.809 11.507 6.583 1.00 0.00 H new ATOM 0 HH12 ARG A 8 45.094 10.473 7.987 1.00 0.00 H new ATOM 0 HH21 ARG A 8 45.385 7.452 6.068 1.00 0.00 H new ATOM 0 HH22 ARG A 8 45.425 8.146 7.692 1.00 0.00 H new ATOM 125 N ASP A 9 48.925 9.767 2.160 1.00 0.00 N ATOM 126 CA ASP A 9 49.266 8.584 1.406 1.00 0.00 C ATOM 127 C ASP A 9 50.377 7.770 2.040 1.00 0.00 C ATOM 128 O ASP A 9 50.270 6.549 2.046 1.00 0.00 O ATOM 129 CB ASP A 9 49.522 8.900 -0.108 1.00 0.00 C ATOM 130 CG ASP A 9 50.612 9.915 -0.429 1.00 0.00 C ATOM 131 OD1 ASP A 9 51.788 9.707 -0.046 1.00 0.00 O ATOM 132 OD2 ASP A 9 50.254 10.934 -1.081 1.00 0.00 O ATOM 0 H ASP A 9 49.316 10.633 1.790 1.00 0.00 H new ATOM 0 HA ASP A 9 48.388 7.940 1.440 1.00 0.00 H new ATOM 0 HB2 ASP A 9 49.770 7.966 -0.612 1.00 0.00 H new ATOM 0 HB3 ASP A 9 48.588 9.257 -0.542 1.00 0.00 H new ATOM 137 N GLU A 10 51.445 8.388 2.616 1.00 0.00 N ATOM 138 CA GLU A 10 52.564 7.604 3.124 1.00 0.00 C ATOM 139 C GLU A 10 52.188 6.707 4.292 1.00 0.00 C ATOM 140 O GLU A 10 52.544 5.532 4.292 1.00 0.00 O ATOM 141 CB GLU A 10 53.786 8.487 3.528 1.00 0.00 C ATOM 142 CG GLU A 10 53.592 9.420 4.750 1.00 0.00 C ATOM 143 CD GLU A 10 54.823 10.273 5.043 1.00 0.00 C ATOM 144 OE1 GLU A 10 54.690 11.524 5.042 1.00 0.00 O ATOM 145 OE2 GLU A 10 55.908 9.677 5.263 1.00 0.00 O ATOM 0 H GLU A 10 51.538 9.397 2.730 1.00 0.00 H new ATOM 0 HA GLU A 10 52.851 6.970 2.285 1.00 0.00 H new ATOM 0 HB2 GLU A 10 54.630 7.828 3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 10 54.061 9.101 2.671 1.00 0.00 H new ATOM 0 HG2 GLU A 10 52.737 10.073 4.571 1.00 0.00 H new ATOM 0 HG3 GLU A 10 53.355 8.818 5.627 1.00 0.00 H new ATOM 152 N ARG A 11 51.399 7.206 5.280 1.00 0.00 N ATOM 153 CA ARG A 11 50.976 6.429 6.430 1.00 0.00 C ATOM 154 C ARG A 11 50.038 5.305 6.039 1.00 0.00 C ATOM 155 O ARG A 11 50.172 4.170 6.493 1.00 0.00 O ATOM 156 CB ARG A 11 50.286 7.329 7.491 1.00 0.00 C ATOM 157 CG ARG A 11 51.224 8.350 8.169 1.00 0.00 C ATOM 158 CD ARG A 11 52.307 7.700 9.042 1.00 0.00 C ATOM 159 NE ARG A 11 53.098 8.780 9.727 1.00 0.00 N ATOM 160 CZ ARG A 11 52.790 9.266 10.970 1.00 0.00 C ATOM 161 NH1 ARG A 11 51.715 8.787 11.655 1.00 0.00 N ATOM 162 NH2 ARG A 11 53.579 10.236 11.517 1.00 0.00 N ATOM 0 H ARG A 11 51.048 8.164 5.282 1.00 0.00 H new ATOM 0 HA ARG A 11 51.878 5.993 6.859 1.00 0.00 H new ATOM 0 HB2 ARG A 11 49.466 7.867 7.015 1.00 0.00 H new ATOM 0 HB3 ARG A 11 49.846 6.692 8.259 1.00 0.00 H new ATOM 0 HG2 ARG A 11 51.703 8.957 7.401 1.00 0.00 H new ATOM 0 HG3 ARG A 11 50.629 9.025 8.784 1.00 0.00 H new ATOM 0 HD2 ARG A 11 51.850 7.042 9.781 1.00 0.00 H new ATOM 0 HD3 ARG A 11 52.964 7.083 8.429 1.00 0.00 H new ATOM 0 HE ARG A 11 53.905 9.171 9.241 1.00 0.00 H new ATOM 0 HH11 ARG A 11 51.131 8.060 11.243 1.00 0.00 H new ATOM 0 HH12 ARG A 11 51.494 9.156 12.580 1.00 0.00 H new ATOM 0 HH21 ARG A 11 54.385 10.589 11.001 1.00 0.00 H new ATOM 0 HH22 ARG A 11 53.363 10.608 12.442 1.00 0.00 H new ATOM 176 N THR A 12 49.065 5.612 5.149 1.00 0.00 N ATOM 177 CA THR A 12 48.061 4.666 4.680 1.00 0.00 C ATOM 178 C THR A 12 48.694 3.567 3.842 1.00 0.00 C ATOM 179 O THR A 12 48.426 2.381 4.041 1.00 0.00 O ATOM 180 CB THR A 12 46.960 5.341 3.873 1.00 0.00 C ATOM 181 OG1 THR A 12 46.345 6.381 4.625 1.00 0.00 O ATOM 182 CG2 THR A 12 45.833 4.351 3.525 1.00 0.00 C ATOM 0 H THR A 12 48.966 6.541 4.739 1.00 0.00 H new ATOM 0 HA THR A 12 47.611 4.232 5.573 1.00 0.00 H new ATOM 0 HB THR A 12 47.437 5.726 2.972 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.758 7.239 4.395 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.063 4.864 2.949 1.00 0.00 H new ATOM 0 HG22 THR A 12 46.240 3.529 2.936 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.397 3.958 4.444 1.00 0.00 H new ATOM 190 N LEU A 13 49.591 3.942 2.889 1.00 0.00 N ATOM 191 CA LEU A 13 50.258 3.011 1.997 1.00 0.00 C ATOM 192 C LEU A 13 51.183 2.065 2.736 1.00 0.00 C ATOM 193 O LEU A 13 51.106 0.857 2.522 1.00 0.00 O ATOM 194 CB LEU A 13 51.015 3.800 0.889 1.00 0.00 C ATOM 195 CG LEU A 13 51.747 2.999 -0.218 1.00 0.00 C ATOM 196 CD1 LEU A 13 51.776 3.827 -1.519 1.00 0.00 C ATOM 197 CD2 LEU A 13 53.188 2.600 0.149 1.00 0.00 C ATOM 0 H LEU A 13 49.859 4.914 2.734 1.00 0.00 H new ATOM 0 HA LEU A 13 49.497 2.385 1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 13 50.297 4.459 0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 13 51.751 4.437 1.379 1.00 0.00 H new ATOM 0 HG LEU A 13 51.185 2.074 -0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 13 52.291 3.264 -2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 13 50.756 4.038 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 13 52.302 4.765 -1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 13 53.633 2.043 -0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 13 53.777 3.497 0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 13 53.176 1.977 1.043 1.00 0.00 H new ATOM 209 N VAL A 14 52.044 2.553 3.670 1.00 0.00 N ATOM 210 CA VAL A 14 52.981 1.666 4.352 1.00 0.00 C ATOM 211 C VAL A 14 52.288 0.676 5.270 1.00 0.00 C ATOM 212 O VAL A 14 52.733 -0.465 5.386 1.00 0.00 O ATOM 213 CB VAL A 14 54.117 2.369 5.110 1.00 0.00 C ATOM 214 CG1 VAL A 14 54.939 3.211 4.107 1.00 0.00 C ATOM 215 CG2 VAL A 14 53.628 3.192 6.319 1.00 0.00 C ATOM 0 H VAL A 14 52.097 3.532 3.951 1.00 0.00 H new ATOM 0 HA VAL A 14 53.450 1.127 3.529 1.00 0.00 H new ATOM 0 HB VAL A 14 54.761 1.608 5.550 1.00 0.00 H new ATOM 0 HG11 VAL A 14 55.749 3.715 4.634 1.00 0.00 H new ATOM 0 HG12 VAL A 14 55.356 2.558 3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 14 54.292 3.954 3.640 1.00 0.00 H new ATOM 0 HG21 VAL A 14 54.481 3.662 6.809 1.00 0.00 H new ATOM 0 HG22 VAL A 14 52.936 3.962 5.979 1.00 0.00 H new ATOM 0 HG23 VAL A 14 53.121 2.535 7.025 1.00 0.00 H new ATOM 225 N ARG A 15 51.153 1.062 5.914 1.00 0.00 N ATOM 226 CA ARG A 15 50.368 0.147 6.725 1.00 0.00 C ATOM 227 C ARG A 15 49.791 -0.997 5.898 1.00 0.00 C ATOM 228 O ARG A 15 49.955 -2.168 6.247 1.00 0.00 O ATOM 229 CB ARG A 15 49.180 0.878 7.397 1.00 0.00 C ATOM 230 CG ARG A 15 48.382 0.001 8.381 1.00 0.00 C ATOM 231 CD ARG A 15 46.930 0.457 8.584 1.00 0.00 C ATOM 232 NE ARG A 15 46.888 1.903 8.990 1.00 0.00 N ATOM 233 CZ ARG A 15 46.934 2.319 10.293 1.00 0.00 C ATOM 234 NH1 ARG A 15 46.898 3.656 10.563 1.00 0.00 N ATOM 235 NH2 ARG A 15 47.017 1.414 11.308 1.00 0.00 N ATOM 0 H ARG A 15 50.777 2.009 5.874 1.00 0.00 H new ATOM 0 HA ARG A 15 51.051 -0.250 7.477 1.00 0.00 H new ATOM 0 HB2 ARG A 15 49.558 1.752 7.928 1.00 0.00 H new ATOM 0 HB3 ARG A 15 48.506 1.243 6.622 1.00 0.00 H new ATOM 0 HG2 ARG A 15 48.382 -1.027 8.019 1.00 0.00 H new ATOM 0 HG3 ARG A 15 48.890 -0.001 9.345 1.00 0.00 H new ATOM 0 HD2 ARG A 15 46.365 0.315 7.663 1.00 0.00 H new ATOM 0 HD3 ARG A 15 46.453 -0.156 9.349 1.00 0.00 H new ATOM 0 HE ARG A 15 46.822 2.610 8.258 1.00 0.00 H new ATOM 0 HH11 ARG A 15 46.838 4.329 9.799 1.00 0.00 H new ATOM 0 HH12 ARG A 15 46.931 3.982 11.529 1.00 0.00 H new ATOM 0 HH21 ARG A 15 47.045 0.416 11.100 1.00 0.00 H new ATOM 0 HH22 ARG A 15 47.051 1.735 12.276 1.00 0.00 H new ATOM 249 N LYS A 16 49.156 -0.687 4.737 1.00 0.00 N ATOM 250 CA LYS A 16 48.607 -1.700 3.850 1.00 0.00 C ATOM 251 C LYS A 16 49.675 -2.572 3.239 1.00 0.00 C ATOM 252 O LYS A 16 49.531 -3.789 3.201 1.00 0.00 O ATOM 253 CB LYS A 16 47.750 -1.119 2.701 1.00 0.00 C ATOM 254 CG LYS A 16 46.427 -0.508 3.189 1.00 0.00 C ATOM 255 CD LYS A 16 45.460 -0.164 2.040 1.00 0.00 C ATOM 256 CE LYS A 16 45.989 0.878 1.056 1.00 0.00 C ATOM 257 NZ LYS A 16 44.901 1.271 0.143 1.00 0.00 N ATOM 0 H LYS A 16 49.020 0.269 4.408 1.00 0.00 H new ATOM 0 HA LYS A 16 47.966 -2.296 4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 16 48.325 -0.356 2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 16 47.536 -1.908 1.980 1.00 0.00 H new ATOM 0 HG2 LYS A 16 45.940 -1.207 3.869 1.00 0.00 H new ATOM 0 HG3 LYS A 16 46.640 0.396 3.760 1.00 0.00 H new ATOM 0 HD2 LYS A 16 45.228 -1.077 1.492 1.00 0.00 H new ATOM 0 HD3 LYS A 16 44.525 0.199 2.466 1.00 0.00 H new ATOM 0 HE2 LYS A 16 46.362 1.749 1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 16 46.827 0.470 0.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 45.111 2.204 -0.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 44.818 0.569 -0.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 44.006 1.318 0.670 1.00 0.00 H new ATOM 271 N VAL A 17 50.796 -1.978 2.779 1.00 0.00 N ATOM 272 CA VAL A 17 51.919 -2.711 2.221 1.00 0.00 C ATOM 273 C VAL A 17 52.568 -3.649 3.235 1.00 0.00 C ATOM 274 O VAL A 17 52.859 -4.801 2.912 1.00 0.00 O ATOM 275 CB VAL A 17 52.922 -1.743 1.589 1.00 0.00 C ATOM 276 CG1 VAL A 17 54.227 -2.454 1.193 1.00 0.00 C ATOM 277 CG2 VAL A 17 52.271 -1.115 0.340 1.00 0.00 C ATOM 0 H VAL A 17 50.934 -0.967 2.791 1.00 0.00 H new ATOM 0 HA VAL A 17 51.537 -3.359 1.432 1.00 0.00 H new ATOM 0 HB VAL A 17 53.178 -0.976 2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 17 54.913 -1.734 0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 17 54.686 -2.893 2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 17 54.008 -3.241 0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 17 52.971 -0.421 -0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 17 52.013 -1.901 -0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 17 51.368 -0.579 0.631 1.00 0.00 H new ATOM 287 N GLN A 18 52.802 -3.203 4.494 1.00 0.00 N ATOM 288 CA GLN A 18 53.323 -4.067 5.543 1.00 0.00 C ATOM 289 C GLN A 18 52.378 -5.186 5.978 1.00 0.00 C ATOM 290 O GLN A 18 52.795 -6.336 6.108 1.00 0.00 O ATOM 291 CB GLN A 18 53.704 -3.212 6.781 1.00 0.00 C ATOM 292 CG GLN A 18 54.391 -4.003 7.921 1.00 0.00 C ATOM 293 CD GLN A 18 54.736 -3.135 9.141 1.00 0.00 C ATOM 294 OE1 GLN A 18 54.566 -3.567 10.282 1.00 0.00 O ATOM 295 NE2 GLN A 18 55.226 -1.891 8.905 1.00 0.00 N ATOM 0 H GLN A 18 52.632 -2.243 4.793 1.00 0.00 H new ATOM 0 HA GLN A 18 54.195 -4.559 5.112 1.00 0.00 H new ATOM 0 HB2 GLN A 18 54.368 -2.409 6.462 1.00 0.00 H new ATOM 0 HB3 GLN A 18 52.802 -2.742 7.174 1.00 0.00 H new ATOM 0 HG2 GLN A 18 53.736 -4.816 8.236 1.00 0.00 H new ATOM 0 HG3 GLN A 18 55.304 -4.459 7.538 1.00 0.00 H new ATOM 0 HE21 GLN A 18 55.354 -1.567 7.946 1.00 0.00 H new ATOM 0 HE22 GLN A 18 55.466 -1.281 9.686 1.00 0.00 H new ATOM 304 N ILE A 19 51.076 -4.884 6.214 1.00 0.00 N ATOM 305 CA ILE A 19 50.110 -5.867 6.698 1.00 0.00 C ATOM 306 C ILE A 19 49.631 -6.793 5.589 1.00 0.00 C ATOM 307 O ILE A 19 49.519 -8.004 5.779 1.00 0.00 O ATOM 308 CB ILE A 19 48.932 -5.211 7.431 1.00 0.00 C ATOM 309 CG1 ILE A 19 49.433 -4.470 8.700 1.00 0.00 C ATOM 310 CG2 ILE A 19 47.838 -6.241 7.811 1.00 0.00 C ATOM 311 CD1 ILE A 19 48.346 -3.670 9.427 1.00 0.00 C ATOM 0 H ILE A 19 50.682 -3.954 6.071 1.00 0.00 H new ATOM 0 HA ILE A 19 50.637 -6.483 7.427 1.00 0.00 H new ATOM 0 HB ILE A 19 48.482 -4.492 6.747 1.00 0.00 H new ATOM 0 HG12 ILE A 19 49.856 -5.200 9.391 1.00 0.00 H new ATOM 0 HG13 ILE A 19 50.240 -3.794 8.418 1.00 0.00 H new ATOM 0 HG21 ILE A 19 47.024 -5.733 8.328 1.00 0.00 H new ATOM 0 HG22 ILE A 19 47.455 -6.715 6.907 1.00 0.00 H new ATOM 0 HG23 ILE A 19 48.265 -7.001 8.466 1.00 0.00 H new ATOM 0 HD11 ILE A 19 48.777 -3.183 10.302 1.00 0.00 H new ATOM 0 HD12 ILE A 19 47.939 -2.915 8.755 1.00 0.00 H new ATOM 0 HD13 ILE A 19 47.549 -4.343 9.742 1.00 0.00 H new ATOM 323 N ASN A 20 49.326 -6.248 4.391 1.00 0.00 N ATOM 324 CA ASN A 20 48.683 -6.966 3.308 1.00 0.00 C ATOM 325 C ASN A 20 49.538 -6.955 2.037 1.00 0.00 C ATOM 326 O ASN A 20 49.117 -6.350 1.048 1.00 0.00 O ATOM 327 CB ASN A 20 47.294 -6.323 3.007 1.00 0.00 C ATOM 328 CG ASN A 20 46.332 -6.457 4.188 1.00 0.00 C ATOM 329 OD1 ASN A 20 45.912 -5.460 4.781 1.00 0.00 O ATOM 330 ND2 ASN A 20 45.943 -7.714 4.524 1.00 0.00 N ATOM 0 H ASN A 20 49.531 -5.275 4.162 1.00 0.00 H new ATOM 0 HA ASN A 20 48.557 -8.003 3.620 1.00 0.00 H new ATOM 0 HB2 ASN A 20 47.427 -5.268 2.766 1.00 0.00 H new ATOM 0 HB3 ASN A 20 46.858 -6.798 2.128 1.00 0.00 H new ATOM 0 HD21 ASN A 20 45.283 -7.856 5.289 1.00 0.00 H new ATOM 0 HD22 ASN A 20 46.311 -8.516 4.012 1.00 0.00 H new ATOM 337 N PRO A 21 50.697 -7.636 1.943 1.00 0.00 N ATOM 338 CA PRO A 21 51.570 -7.623 0.761 1.00 0.00 C ATOM 339 C PRO A 21 50.951 -8.333 -0.427 1.00 0.00 C ATOM 340 O PRO A 21 51.464 -8.215 -1.537 1.00 0.00 O ATOM 341 CB PRO A 21 52.846 -8.335 1.245 1.00 0.00 C ATOM 342 CG PRO A 21 52.356 -9.286 2.337 1.00 0.00 C ATOM 343 CD PRO A 21 51.269 -8.456 3.019 1.00 0.00 C ATOM 0 HA PRO A 21 51.757 -6.612 0.400 1.00 0.00 H new ATOM 0 HB2 PRO A 21 53.331 -8.877 0.433 1.00 0.00 H new ATOM 0 HB3 PRO A 21 53.575 -7.624 1.634 1.00 0.00 H new ATOM 0 HG2 PRO A 21 51.961 -10.214 1.923 1.00 0.00 H new ATOM 0 HG3 PRO A 21 53.154 -9.560 3.028 1.00 0.00 H new ATOM 0 HD2 PRO A 21 50.512 -9.093 3.476 1.00 0.00 H new ATOM 0 HD3 PRO A 21 51.684 -7.835 3.813 1.00 0.00 H new ATOM 351 N ARG A 22 49.855 -9.080 -0.197 1.00 0.00 N ATOM 352 CA ARG A 22 49.023 -9.739 -1.176 1.00 0.00 C ATOM 353 C ARG A 22 48.285 -8.783 -2.107 1.00 0.00 C ATOM 354 O ARG A 22 47.865 -9.187 -3.189 1.00 0.00 O ATOM 355 CB ARG A 22 47.987 -10.651 -0.470 1.00 0.00 C ATOM 356 CG ARG A 22 48.627 -11.844 0.265 1.00 0.00 C ATOM 357 CD ARG A 22 47.607 -12.745 0.976 1.00 0.00 C ATOM 358 NE ARG A 22 46.718 -13.376 -0.054 1.00 0.00 N ATOM 359 CZ ARG A 22 45.741 -14.272 0.276 1.00 0.00 C ATOM 360 NH1 ARG A 22 45.566 -14.651 1.573 1.00 0.00 N ATOM 361 NH2 ARG A 22 44.945 -14.782 -0.709 1.00 0.00 N ATOM 0 H ARG A 22 49.518 -9.240 0.752 1.00 0.00 H new ATOM 0 HA ARG A 22 49.704 -10.324 -1.794 1.00 0.00 H new ATOM 0 HB2 ARG A 22 47.417 -10.057 0.244 1.00 0.00 H new ATOM 0 HB3 ARG A 22 47.279 -11.026 -1.210 1.00 0.00 H new ATOM 0 HG2 ARG A 22 49.191 -12.442 -0.451 1.00 0.00 H new ATOM 0 HG3 ARG A 22 49.341 -11.468 0.998 1.00 0.00 H new ATOM 0 HD2 ARG A 22 48.121 -13.514 1.553 1.00 0.00 H new ATOM 0 HD3 ARG A 22 47.014 -12.161 1.680 1.00 0.00 H new ATOM 0 HE ARG A 22 46.847 -13.128 -1.035 1.00 0.00 H new ATOM 0 HH11 ARG A 22 46.166 -14.265 2.302 1.00 0.00 H new ATOM 0 HH12 ARG A 22 44.835 -15.320 1.815 1.00 0.00 H new ATOM 0 HH21 ARG A 22 45.084 -14.493 -1.677 1.00 0.00 H new ATOM 0 HH22 ARG A 22 44.212 -15.452 -0.476 1.00 0.00 H new ATOM 375 N THR A 23 48.051 -7.507 -1.696 1.00 0.00 N ATOM 376 CA THR A 23 47.200 -6.583 -2.445 1.00 0.00 C ATOM 377 C THR A 23 47.746 -6.214 -3.822 1.00 0.00 C ATOM 378 O THR A 23 48.937 -5.987 -4.028 1.00 0.00 O ATOM 379 CB THR A 23 46.861 -5.295 -1.672 1.00 0.00 C ATOM 380 OG1 THR A 23 45.856 -4.522 -2.324 1.00 0.00 O ATOM 381 CG2 THR A 23 48.087 -4.384 -1.458 1.00 0.00 C ATOM 0 H THR A 23 48.448 -7.108 -0.845 1.00 0.00 H new ATOM 0 HA THR A 23 46.282 -7.153 -2.588 1.00 0.00 H new ATOM 0 HB THR A 23 46.496 -5.644 -0.706 1.00 0.00 H new ATOM 0 HG1 THR A 23 45.671 -3.716 -1.799 1.00 0.00 H new ATOM 0 HG21 THR A 23 47.786 -3.492 -0.908 1.00 0.00 H new ATOM 0 HG22 THR A 23 48.846 -4.922 -0.890 1.00 0.00 H new ATOM 0 HG23 THR A 23 48.497 -4.093 -2.425 1.00 0.00 H new ATOM 389 N THR A 24 46.835 -6.129 -4.818 1.00 0.00 N ATOM 390 CA THR A 24 47.124 -5.672 -6.169 1.00 0.00 C ATOM 391 C THR A 24 47.465 -4.189 -6.169 1.00 0.00 C ATOM 392 O THR A 24 46.774 -3.380 -5.545 1.00 0.00 O ATOM 393 CB THR A 24 45.976 -5.944 -7.137 1.00 0.00 C ATOM 394 OG1 THR A 24 45.679 -7.333 -7.164 1.00 0.00 O ATOM 395 CG2 THR A 24 46.319 -5.551 -8.587 1.00 0.00 C ATOM 0 H THR A 24 45.857 -6.386 -4.686 1.00 0.00 H new ATOM 0 HA THR A 24 47.985 -6.243 -6.517 1.00 0.00 H new ATOM 0 HB THR A 24 45.137 -5.347 -6.780 1.00 0.00 H new ATOM 0 HG1 THR A 24 44.940 -7.497 -7.786 1.00 0.00 H new ATOM 0 HG21 THR A 24 45.468 -5.766 -9.233 1.00 0.00 H new ATOM 0 HG22 THR A 24 46.549 -4.486 -8.631 1.00 0.00 H new ATOM 0 HG23 THR A 24 47.184 -6.123 -8.924 1.00 0.00 H new ATOM 403 N ALA A 25 48.539 -3.788 -6.898 1.00 0.00 N ATOM 404 CA ALA A 25 49.094 -2.443 -6.936 1.00 0.00 C ATOM 405 C ALA A 25 48.140 -1.378 -7.470 1.00 0.00 C ATOM 406 O ALA A 25 48.276 -0.194 -7.179 1.00 0.00 O ATOM 407 CB ALA A 25 50.386 -2.435 -7.778 1.00 0.00 C ATOM 0 H ALA A 25 49.052 -4.436 -7.496 1.00 0.00 H new ATOM 0 HA ALA A 25 49.295 -2.179 -5.898 1.00 0.00 H new ATOM 0 HB1 ALA A 25 50.798 -1.426 -7.803 1.00 0.00 H new ATOM 0 HB2 ALA A 25 51.114 -3.113 -7.333 1.00 0.00 H new ATOM 0 HB3 ALA A 25 50.160 -2.760 -8.794 1.00 0.00 H new ATOM 413 N LYS A 26 47.102 -1.805 -8.219 1.00 0.00 N ATOM 414 CA LYS A 26 46.029 -0.992 -8.760 1.00 0.00 C ATOM 415 C LYS A 26 45.261 -0.250 -7.664 1.00 0.00 C ATOM 416 O LYS A 26 44.883 0.907 -7.839 1.00 0.00 O ATOM 417 CB LYS A 26 45.072 -1.882 -9.598 1.00 0.00 C ATOM 418 CG LYS A 26 43.907 -1.147 -10.289 1.00 0.00 C ATOM 419 CD LYS A 26 44.369 -0.113 -11.333 1.00 0.00 C ATOM 420 CE LYS A 26 43.201 0.592 -12.016 1.00 0.00 C ATOM 421 NZ LYS A 26 43.712 1.639 -12.918 1.00 0.00 N ATOM 0 H LYS A 26 46.998 -2.788 -8.469 1.00 0.00 H new ATOM 0 HA LYS A 26 46.473 -0.232 -9.403 1.00 0.00 H new ATOM 0 HB2 LYS A 26 45.658 -2.394 -10.361 1.00 0.00 H new ATOM 0 HB3 LYS A 26 44.657 -2.650 -8.946 1.00 0.00 H new ATOM 0 HG2 LYS A 26 43.262 -1.879 -10.775 1.00 0.00 H new ATOM 0 HG3 LYS A 26 43.305 -0.644 -9.532 1.00 0.00 H new ATOM 0 HD2 LYS A 26 45.003 0.629 -10.848 1.00 0.00 H new ATOM 0 HD3 LYS A 26 44.979 -0.611 -12.087 1.00 0.00 H new ATOM 0 HE2 LYS A 26 42.608 -0.129 -12.579 1.00 0.00 H new ATOM 0 HE3 LYS A 26 42.542 1.033 -11.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 42.914 2.118 -13.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 44.260 2.332 -12.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 44.324 1.207 -13.640 1.00 0.00 H new ATOM 435 N ASP A 27 45.047 -0.889 -6.483 1.00 0.00 N ATOM 436 CA ASP A 27 44.414 -0.273 -5.328 1.00 0.00 C ATOM 437 C ASP A 27 45.221 0.932 -4.820 1.00 0.00 C ATOM 438 O ASP A 27 44.657 1.981 -4.512 1.00 0.00 O ATOM 439 CB ASP A 27 44.235 -1.345 -4.208 1.00 0.00 C ATOM 440 CG ASP A 27 43.414 -0.842 -3.019 1.00 0.00 C ATOM 441 OD1 ASP A 27 44.008 -0.653 -1.926 1.00 0.00 O ATOM 442 OD2 ASP A 27 42.183 -0.662 -3.202 1.00 0.00 O ATOM 0 H ASP A 27 45.320 -1.859 -6.324 1.00 0.00 H new ATOM 0 HA ASP A 27 43.435 0.105 -5.622 1.00 0.00 H new ATOM 0 HB2 ASP A 27 43.750 -2.225 -4.630 1.00 0.00 H new ATOM 0 HB3 ASP A 27 45.217 -1.661 -3.856 1.00 0.00 H new ATOM 447 N LEU A 28 46.572 0.807 -4.754 1.00 0.00 N ATOM 448 CA LEU A 28 47.476 1.895 -4.411 1.00 0.00 C ATOM 449 C LEU A 28 47.419 3.004 -5.451 1.00 0.00 C ATOM 450 O LEU A 28 47.321 4.177 -5.100 1.00 0.00 O ATOM 451 CB LEU A 28 48.960 1.438 -4.281 1.00 0.00 C ATOM 452 CG LEU A 28 49.348 0.628 -3.018 1.00 0.00 C ATOM 453 CD1 LEU A 28 48.629 -0.724 -2.862 1.00 0.00 C ATOM 454 CD2 LEU A 28 50.870 0.395 -3.016 1.00 0.00 C ATOM 0 H LEU A 28 47.054 -0.072 -4.943 1.00 0.00 H new ATOM 0 HA LEU A 28 47.135 2.257 -3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 28 49.205 0.836 -5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 28 49.591 2.326 -4.319 1.00 0.00 H new ATOM 0 HG LEU A 28 49.025 1.232 -2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 28 48.968 -1.213 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 28 47.553 -0.560 -2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 28 48.856 -1.358 -3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 28 51.150 -0.175 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 28 51.154 -0.161 -3.909 1.00 0.00 H new ATOM 0 HD23 LEU A 28 51.385 1.356 -3.008 1.00 0.00 H new ATOM 466 N VAL A 29 47.419 2.656 -6.760 1.00 0.00 N ATOM 467 CA VAL A 29 47.358 3.604 -7.872 1.00 0.00 C ATOM 468 C VAL A 29 46.065 4.412 -7.855 1.00 0.00 C ATOM 469 O VAL A 29 46.096 5.633 -8.004 1.00 0.00 O ATOM 470 CB VAL A 29 47.558 2.907 -9.219 1.00 0.00 C ATOM 471 CG1 VAL A 29 47.325 3.865 -10.410 1.00 0.00 C ATOM 472 CG2 VAL A 29 48.996 2.354 -9.273 1.00 0.00 C ATOM 0 H VAL A 29 47.463 1.684 -7.067 1.00 0.00 H new ATOM 0 HA VAL A 29 48.182 4.304 -7.739 1.00 0.00 H new ATOM 0 HB VAL A 29 46.827 2.103 -9.303 1.00 0.00 H new ATOM 0 HG11 VAL A 29 47.478 3.327 -11.345 1.00 0.00 H new ATOM 0 HG12 VAL A 29 46.305 4.248 -10.375 1.00 0.00 H new ATOM 0 HG13 VAL A 29 48.027 4.697 -10.351 1.00 0.00 H new ATOM 0 HG21 VAL A 29 49.157 1.853 -10.227 1.00 0.00 H new ATOM 0 HG22 VAL A 29 49.706 3.175 -9.170 1.00 0.00 H new ATOM 0 HG23 VAL A 29 49.143 1.643 -8.460 1.00 0.00 H new ATOM 482 N LYS A 30 44.899 3.766 -7.615 1.00 0.00 N ATOM 483 CA LYS A 30 43.622 4.448 -7.450 1.00 0.00 C ATOM 484 C LYS A 30 43.614 5.413 -6.265 1.00 0.00 C ATOM 485 O LYS A 30 43.172 6.555 -6.389 1.00 0.00 O ATOM 486 CB LYS A 30 42.475 3.415 -7.292 1.00 0.00 C ATOM 487 CG LYS A 30 41.071 4.034 -7.143 1.00 0.00 C ATOM 488 CD LYS A 30 39.925 3.008 -7.032 1.00 0.00 C ATOM 489 CE LYS A 30 40.123 1.980 -5.916 1.00 0.00 C ATOM 490 NZ LYS A 30 38.878 1.216 -5.710 1.00 0.00 N ATOM 0 H LYS A 30 44.833 2.752 -7.532 1.00 0.00 H new ATOM 0 HA LYS A 30 43.466 5.041 -8.351 1.00 0.00 H new ATOM 0 HB2 LYS A 30 42.476 2.754 -8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 30 42.679 2.795 -6.419 1.00 0.00 H new ATOM 0 HG2 LYS A 30 41.060 4.668 -6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 30 40.881 4.680 -8.000 1.00 0.00 H new ATOM 0 HD2 LYS A 30 38.989 3.540 -6.862 1.00 0.00 H new ATOM 0 HD3 LYS A 30 39.825 2.484 -7.983 1.00 0.00 H new ATOM 0 HE2 LYS A 30 40.937 1.303 -6.174 1.00 0.00 H new ATOM 0 HE3 LYS A 30 40.408 2.484 -4.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 39.020 0.520 -4.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 38.111 1.867 -5.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 38.624 0.722 -6.589 1.00 0.00 H new ATOM 504 N MET A 31 44.160 4.997 -5.094 1.00 0.00 N ATOM 505 CA MET A 31 44.301 5.840 -3.914 1.00 0.00 C ATOM 506 C MET A 31 45.211 7.043 -4.156 1.00 0.00 C ATOM 507 O MET A 31 44.889 8.171 -3.780 1.00 0.00 O ATOM 508 CB MET A 31 44.848 5.006 -2.729 1.00 0.00 C ATOM 509 CG MET A 31 44.953 5.768 -1.395 1.00 0.00 C ATOM 510 SD MET A 31 45.600 4.771 -0.020 1.00 0.00 S ATOM 511 CE MET A 31 47.312 4.586 -0.602 1.00 0.00 C ATOM 0 H MET A 31 44.515 4.051 -4.957 1.00 0.00 H new ATOM 0 HA MET A 31 43.309 6.224 -3.677 1.00 0.00 H new ATOM 0 HB2 MET A 31 44.203 4.139 -2.586 1.00 0.00 H new ATOM 0 HB3 MET A 31 45.836 4.629 -2.994 1.00 0.00 H new ATOM 0 HG2 MET A 31 45.597 6.636 -1.535 1.00 0.00 H new ATOM 0 HG3 MET A 31 43.966 6.143 -1.125 1.00 0.00 H new ATOM 0 HE1 MET A 31 47.943 4.253 0.222 1.00 0.00 H new ATOM 0 HE2 MET A 31 47.346 3.850 -1.405 1.00 0.00 H new ATOM 0 HE3 MET A 31 47.676 5.544 -0.973 1.00 0.00 H new ATOM 521 N LEU A 32 46.365 6.830 -4.828 1.00 0.00 N ATOM 522 CA LEU A 32 47.288 7.875 -5.242 1.00 0.00 C ATOM 523 C LEU A 32 46.667 8.846 -6.238 1.00 0.00 C ATOM 524 O LEU A 32 46.784 10.059 -6.072 1.00 0.00 O ATOM 525 CB LEU A 32 48.561 7.245 -5.859 1.00 0.00 C ATOM 526 CG LEU A 32 49.459 6.501 -4.845 1.00 0.00 C ATOM 527 CD1 LEU A 32 50.462 5.601 -5.583 1.00 0.00 C ATOM 528 CD2 LEU A 32 50.201 7.485 -3.928 1.00 0.00 C ATOM 0 H LEU A 32 46.675 5.896 -5.098 1.00 0.00 H new ATOM 0 HA LEU A 32 47.545 8.443 -4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 32 48.264 6.548 -6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 32 49.146 8.031 -6.336 1.00 0.00 H new ATOM 0 HG LEU A 32 48.817 5.880 -4.220 1.00 0.00 H new ATOM 0 HD11 LEU A 32 51.088 5.083 -4.857 1.00 0.00 H new ATOM 0 HD12 LEU A 32 49.921 4.869 -6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 32 51.089 6.211 -6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 32 50.824 6.930 -3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 32 50.829 8.141 -4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 32 49.477 8.084 -3.375 1.00 0.00 H new ATOM 540 N GLU A 33 45.933 8.342 -7.258 1.00 0.00 N ATOM 541 CA GLU A 33 45.208 9.156 -8.222 1.00 0.00 C ATOM 542 C GLU A 33 44.112 9.995 -7.577 1.00 0.00 C ATOM 543 O GLU A 33 43.962 11.172 -7.896 1.00 0.00 O ATOM 544 CB GLU A 33 44.602 8.267 -9.343 1.00 0.00 C ATOM 545 CG GLU A 33 43.869 9.054 -10.462 1.00 0.00 C ATOM 546 CD GLU A 33 43.324 8.169 -11.587 1.00 0.00 C ATOM 547 OE1 GLU A 33 42.744 8.753 -12.538 1.00 0.00 O ATOM 548 OE2 GLU A 33 43.480 6.923 -11.513 1.00 0.00 O ATOM 0 H GLU A 33 45.836 7.340 -7.424 1.00 0.00 H new ATOM 0 HA GLU A 33 45.933 9.845 -8.654 1.00 0.00 H new ATOM 0 HB2 GLU A 33 45.401 7.678 -9.794 1.00 0.00 H new ATOM 0 HB3 GLU A 33 43.902 7.563 -8.893 1.00 0.00 H new ATOM 0 HG2 GLU A 33 43.044 9.612 -10.020 1.00 0.00 H new ATOM 0 HG3 GLU A 33 44.556 9.785 -10.888 1.00 0.00 H new ATOM 555 N GLU A 34 43.334 9.407 -6.635 1.00 0.00 N ATOM 556 CA GLU A 34 42.337 10.113 -5.845 1.00 0.00 C ATOM 557 C GLU A 34 42.941 11.185 -4.943 1.00 0.00 C ATOM 558 O GLU A 34 42.407 12.287 -4.837 1.00 0.00 O ATOM 559 CB GLU A 34 41.503 9.114 -4.994 1.00 0.00 C ATOM 560 CG GLU A 34 40.364 9.773 -4.172 1.00 0.00 C ATOM 561 CD GLU A 34 39.526 8.749 -3.405 1.00 0.00 C ATOM 562 OE1 GLU A 34 38.879 7.902 -4.073 1.00 0.00 O ATOM 563 OE2 GLU A 34 39.518 8.818 -2.149 1.00 0.00 O ATOM 0 H GLU A 34 43.395 8.414 -6.412 1.00 0.00 H new ATOM 0 HA GLU A 34 41.686 10.621 -6.557 1.00 0.00 H new ATOM 0 HB2 GLU A 34 41.071 8.364 -5.656 1.00 0.00 H new ATOM 0 HB3 GLU A 34 42.172 8.590 -4.311 1.00 0.00 H new ATOM 0 HG2 GLU A 34 40.794 10.486 -3.468 1.00 0.00 H new ATOM 0 HG3 GLU A 34 39.717 10.338 -4.843 1.00 0.00 H new ATOM 570 N THR A 35 44.082 10.882 -4.275 1.00 0.00 N ATOM 571 CA THR A 35 44.845 11.827 -3.452 1.00 0.00 C ATOM 572 C THR A 35 45.388 12.977 -4.289 1.00 0.00 C ATOM 573 O THR A 35 45.313 14.139 -3.895 1.00 0.00 O ATOM 574 CB THR A 35 46.012 11.177 -2.708 1.00 0.00 C ATOM 575 OG1 THR A 35 45.555 10.132 -1.857 1.00 0.00 O ATOM 576 CG2 THR A 35 46.750 12.175 -1.795 1.00 0.00 C ATOM 0 H THR A 35 44.498 9.951 -4.300 1.00 0.00 H new ATOM 0 HA THR A 35 44.135 12.199 -2.713 1.00 0.00 H new ATOM 0 HB THR A 35 46.680 10.804 -3.484 1.00 0.00 H new ATOM 0 HG1 THR A 35 45.281 9.364 -2.400 1.00 0.00 H new ATOM 0 HG21 THR A 35 47.570 11.667 -1.288 1.00 0.00 H new ATOM 0 HG22 THR A 35 47.146 12.993 -2.396 1.00 0.00 H new ATOM 0 HG23 THR A 35 46.056 12.572 -1.054 1.00 0.00 H new ATOM 584 N GLY A 36 45.952 12.667 -5.481 1.00 0.00 N ATOM 585 CA GLY A 36 46.447 13.653 -6.436 1.00 0.00 C ATOM 586 C GLY A 36 47.948 13.747 -6.450 1.00 0.00 C ATOM 587 O GLY A 36 48.529 14.351 -7.349 1.00 0.00 O ATOM 0 H GLY A 36 46.072 11.705 -5.799 1.00 0.00 H new ATOM 0 HA2 GLY A 36 46.094 13.394 -7.434 1.00 0.00 H new ATOM 0 HA3 GLY A 36 46.028 14.630 -6.193 1.00 0.00 H new ATOM 591 N THR A 37 48.610 13.132 -5.449 1.00 0.00 N ATOM 592 CA THR A 37 50.061 13.051 -5.300 1.00 0.00 C ATOM 593 C THR A 37 50.661 12.248 -6.441 1.00 0.00 C ATOM 594 O THR A 37 50.231 11.126 -6.711 1.00 0.00 O ATOM 595 CB THR A 37 50.487 12.390 -3.998 1.00 0.00 C ATOM 596 OG1 THR A 37 49.949 13.077 -2.879 1.00 0.00 O ATOM 597 CG2 THR A 37 52.015 12.402 -3.809 1.00 0.00 C ATOM 0 H THR A 37 48.116 12.659 -4.692 1.00 0.00 H new ATOM 0 HA THR A 37 50.421 14.080 -5.303 1.00 0.00 H new ATOM 0 HB THR A 37 50.119 11.366 -4.059 1.00 0.00 H new ATOM 0 HG1 THR A 37 49.957 12.486 -2.097 1.00 0.00 H new ATOM 0 HG21 THR A 37 52.269 11.919 -2.865 1.00 0.00 H new ATOM 0 HG22 THR A 37 52.487 11.864 -4.631 1.00 0.00 H new ATOM 0 HG23 THR A 37 52.372 13.432 -3.797 1.00 0.00 H new ATOM 605 N LYS A 38 51.694 12.777 -7.138 1.00 0.00 N ATOM 606 CA LYS A 38 52.238 12.091 -8.292 1.00 0.00 C ATOM 607 C LYS A 38 53.348 11.153 -7.845 1.00 0.00 C ATOM 608 O LYS A 38 54.396 11.579 -7.363 1.00 0.00 O ATOM 609 CB LYS A 38 52.789 13.095 -9.338 1.00 0.00 C ATOM 610 CG LYS A 38 51.736 14.095 -9.861 1.00 0.00 C ATOM 611 CD LYS A 38 50.503 13.452 -10.525 1.00 0.00 C ATOM 612 CE LYS A 38 49.498 14.456 -11.102 1.00 0.00 C ATOM 613 NZ LYS A 38 49.008 15.368 -10.047 1.00 0.00 N ATOM 0 H LYS A 38 52.148 13.662 -6.912 1.00 0.00 H new ATOM 0 HA LYS A 38 51.436 11.522 -8.762 1.00 0.00 H new ATOM 0 HB2 LYS A 38 53.614 13.651 -8.894 1.00 0.00 H new ATOM 0 HB3 LYS A 38 53.197 12.538 -10.181 1.00 0.00 H new ATOM 0 HG2 LYS A 38 51.401 14.715 -9.030 1.00 0.00 H new ATOM 0 HG3 LYS A 38 52.213 14.759 -10.581 1.00 0.00 H new ATOM 0 HD2 LYS A 38 50.839 12.792 -11.325 1.00 0.00 H new ATOM 0 HD3 LYS A 38 49.994 12.828 -9.790 1.00 0.00 H new ATOM 0 HE2 LYS A 38 49.968 15.032 -11.899 1.00 0.00 H new ATOM 0 HE3 LYS A 38 48.658 13.923 -11.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 48.087 15.761 -10.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 48.903 14.843 -9.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 49.689 16.143 -9.914 1.00 0.00 H new ATOM 627 N VAL A 39 53.111 9.832 -7.987 1.00 0.00 N ATOM 628 CA VAL A 39 54.004 8.775 -7.551 1.00 0.00 C ATOM 629 C VAL A 39 54.132 7.829 -8.725 1.00 0.00 C ATOM 630 O VAL A 39 53.144 7.545 -9.400 1.00 0.00 O ATOM 631 CB VAL A 39 53.491 8.034 -6.317 1.00 0.00 C ATOM 632 CG1 VAL A 39 54.462 6.914 -5.893 1.00 0.00 C ATOM 633 CG2 VAL A 39 53.281 9.033 -5.163 1.00 0.00 C ATOM 0 H VAL A 39 52.261 9.476 -8.424 1.00 0.00 H new ATOM 0 HA VAL A 39 54.964 9.198 -7.253 1.00 0.00 H new ATOM 0 HB VAL A 39 52.538 7.567 -6.566 1.00 0.00 H new ATOM 0 HG11 VAL A 39 54.069 6.406 -5.013 1.00 0.00 H new ATOM 0 HG12 VAL A 39 54.569 6.198 -6.708 1.00 0.00 H new ATOM 0 HG13 VAL A 39 55.435 7.346 -5.659 1.00 0.00 H new ATOM 0 HG21 VAL A 39 52.915 8.502 -4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 39 54.227 9.519 -4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 39 52.552 9.786 -5.462 1.00 0.00 H new ATOM 643 N SER A 40 55.356 7.342 -9.048 1.00 0.00 N ATOM 644 CA SER A 40 55.525 6.426 -10.167 1.00 0.00 C ATOM 645 C SER A 40 55.084 5.003 -9.842 1.00 0.00 C ATOM 646 O SER A 40 55.031 4.577 -8.687 1.00 0.00 O ATOM 647 CB SER A 40 56.992 6.376 -10.703 1.00 0.00 C ATOM 648 OG SER A 40 57.908 5.708 -9.835 1.00 0.00 O ATOM 0 H SER A 40 56.216 7.572 -8.551 1.00 0.00 H new ATOM 0 HA SER A 40 54.877 6.834 -10.943 1.00 0.00 H new ATOM 0 HB2 SER A 40 56.996 5.877 -11.672 1.00 0.00 H new ATOM 0 HB3 SER A 40 57.342 7.395 -10.868 1.00 0.00 H new ATOM 0 HG SER A 40 58.802 5.715 -10.236 1.00 0.00 H new ATOM 654 N ILE A 41 54.789 4.207 -10.896 1.00 0.00 N ATOM 655 CA ILE A 41 54.451 2.794 -10.795 1.00 0.00 C ATOM 656 C ILE A 41 55.651 1.999 -10.279 1.00 0.00 C ATOM 657 O ILE A 41 55.530 1.110 -9.439 1.00 0.00 O ATOM 658 CB ILE A 41 53.939 2.241 -12.124 1.00 0.00 C ATOM 659 CG1 ILE A 41 52.669 2.992 -12.618 1.00 0.00 C ATOM 660 CG2 ILE A 41 53.628 0.729 -12.002 1.00 0.00 C ATOM 661 CD1 ILE A 41 51.473 2.963 -11.660 1.00 0.00 C ATOM 0 H ILE A 41 54.783 4.551 -11.856 1.00 0.00 H new ATOM 0 HA ILE A 41 53.638 2.689 -10.077 1.00 0.00 H new ATOM 0 HB ILE A 41 54.731 2.394 -12.857 1.00 0.00 H new ATOM 0 HG12 ILE A 41 52.934 4.032 -12.810 1.00 0.00 H new ATOM 0 HG13 ILE A 41 52.360 2.561 -13.570 1.00 0.00 H new ATOM 0 HG21 ILE A 41 53.265 0.354 -12.959 1.00 0.00 H new ATOM 0 HG22 ILE A 41 54.535 0.192 -11.723 1.00 0.00 H new ATOM 0 HG23 ILE A 41 52.865 0.575 -11.239 1.00 0.00 H new ATOM 0 HD11 ILE A 41 50.642 3.515 -12.099 1.00 0.00 H new ATOM 0 HD12 ILE A 41 51.171 1.930 -11.486 1.00 0.00 H new ATOM 0 HD13 ILE A 41 51.754 3.424 -10.713 1.00 0.00 H new ATOM 673 N SER A 42 56.865 2.328 -10.777 1.00 0.00 N ATOM 674 CA SER A 42 58.114 1.666 -10.420 1.00 0.00 C ATOM 675 C SER A 42 58.444 1.813 -8.937 1.00 0.00 C ATOM 676 O SER A 42 58.765 0.834 -8.267 1.00 0.00 O ATOM 677 CB SER A 42 59.291 2.215 -11.282 1.00 0.00 C ATOM 678 OG SER A 42 60.527 1.558 -11.006 1.00 0.00 O ATOM 0 H SER A 42 56.993 3.081 -11.453 1.00 0.00 H new ATOM 0 HA SER A 42 57.979 0.604 -10.624 1.00 0.00 H new ATOM 0 HB2 SER A 42 59.049 2.097 -12.338 1.00 0.00 H new ATOM 0 HB3 SER A 42 59.403 3.284 -11.099 1.00 0.00 H new ATOM 0 HG SER A 42 61.232 1.936 -11.572 1.00 0.00 H new ATOM 684 N THR A 43 58.305 3.029 -8.354 1.00 0.00 N ATOM 685 CA THR A 43 58.553 3.241 -6.930 1.00 0.00 C ATOM 686 C THR A 43 57.586 2.525 -6.006 1.00 0.00 C ATOM 687 O THR A 43 58.021 1.994 -4.986 1.00 0.00 O ATOM 688 CB THR A 43 58.672 4.713 -6.522 1.00 0.00 C ATOM 689 OG1 THR A 43 57.548 5.497 -6.913 1.00 0.00 O ATOM 690 CG2 THR A 43 59.944 5.322 -7.144 1.00 0.00 C ATOM 0 H THR A 43 58.022 3.869 -8.858 1.00 0.00 H new ATOM 0 HA THR A 43 59.532 2.780 -6.797 1.00 0.00 H new ATOM 0 HB THR A 43 58.719 4.731 -5.433 1.00 0.00 H new ATOM 0 HG1 THR A 43 57.575 5.647 -7.881 1.00 0.00 H new ATOM 0 HG21 THR A 43 60.026 6.369 -6.852 1.00 0.00 H new ATOM 0 HG22 THR A 43 60.819 4.777 -6.790 1.00 0.00 H new ATOM 0 HG23 THR A 43 59.888 5.251 -8.230 1.00 0.00 H new ATOM 698 N VAL A 44 56.266 2.432 -6.324 1.00 0.00 N ATOM 699 CA VAL A 44 55.353 1.634 -5.503 1.00 0.00 C ATOM 700 C VAL A 44 55.663 0.144 -5.584 1.00 0.00 C ATOM 701 O VAL A 44 55.604 -0.553 -4.574 1.00 0.00 O ATOM 702 CB VAL A 44 53.856 1.871 -5.764 1.00 0.00 C ATOM 703 CG1 VAL A 44 53.535 3.350 -5.487 1.00 0.00 C ATOM 704 CG2 VAL A 44 53.390 1.489 -7.180 1.00 0.00 C ATOM 0 H VAL A 44 55.832 2.892 -7.124 1.00 0.00 H new ATOM 0 HA VAL A 44 55.542 1.994 -4.492 1.00 0.00 H new ATOM 0 HB VAL A 44 53.310 1.211 -5.090 1.00 0.00 H new ATOM 0 HG11 VAL A 44 52.476 3.533 -5.668 1.00 0.00 H new ATOM 0 HG12 VAL A 44 53.771 3.585 -4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 44 54.130 3.981 -6.147 1.00 0.00 H new ATOM 0 HG21 VAL A 44 52.323 1.688 -7.278 1.00 0.00 H new ATOM 0 HG22 VAL A 44 53.938 2.079 -7.915 1.00 0.00 H new ATOM 0 HG23 VAL A 44 53.579 0.429 -7.352 1.00 0.00 H new ATOM 714 N LYS A 45 56.070 -0.371 -6.775 1.00 0.00 N ATOM 715 CA LYS A 45 56.524 -1.740 -6.957 1.00 0.00 C ATOM 716 C LYS A 45 57.781 -2.052 -6.161 1.00 0.00 C ATOM 717 O LYS A 45 57.857 -3.105 -5.535 1.00 0.00 O ATOM 718 CB LYS A 45 56.764 -2.055 -8.458 1.00 0.00 C ATOM 719 CG LYS A 45 55.490 -2.182 -9.324 1.00 0.00 C ATOM 720 CD LYS A 45 54.826 -3.580 -9.354 1.00 0.00 C ATOM 721 CE LYS A 45 54.264 -4.115 -8.038 1.00 0.00 C ATOM 722 NZ LYS A 45 53.644 -5.436 -8.274 1.00 0.00 N ATOM 0 H LYS A 45 56.085 0.176 -7.636 1.00 0.00 H new ATOM 0 HA LYS A 45 55.725 -2.377 -6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 45 57.392 -1.270 -8.880 1.00 0.00 H new ATOM 0 HB3 LYS A 45 57.326 -2.986 -8.530 1.00 0.00 H new ATOM 0 HG2 LYS A 45 54.756 -1.461 -8.963 1.00 0.00 H new ATOM 0 HG3 LYS A 45 55.740 -1.898 -10.346 1.00 0.00 H new ATOM 0 HD2 LYS A 45 54.015 -3.553 -10.081 1.00 0.00 H new ATOM 0 HD3 LYS A 45 55.561 -4.295 -9.723 1.00 0.00 H new ATOM 0 HE2 LYS A 45 55.059 -4.201 -7.297 1.00 0.00 H new ATOM 0 HE3 LYS A 45 53.527 -3.421 -7.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 53.260 -5.804 -7.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 52.875 -5.340 -8.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 54.360 -6.095 -8.640 1.00 0.00 H new ATOM 736 N ARG A 46 58.786 -1.146 -6.120 1.00 0.00 N ATOM 737 CA ARG A 46 59.971 -1.306 -5.285 1.00 0.00 C ATOM 738 C ARG A 46 59.662 -1.330 -3.790 1.00 0.00 C ATOM 739 O ARG A 46 60.189 -2.173 -3.065 1.00 0.00 O ATOM 740 CB ARG A 46 61.016 -0.195 -5.573 1.00 0.00 C ATOM 741 CG ARG A 46 61.641 -0.303 -6.978 1.00 0.00 C ATOM 742 CD ARG A 46 62.605 -1.487 -7.146 1.00 0.00 C ATOM 743 NE ARG A 46 62.890 -1.644 -8.614 1.00 0.00 N ATOM 744 CZ ARG A 46 62.093 -2.380 -9.447 1.00 0.00 C ATOM 745 NH1 ARG A 46 62.327 -2.352 -10.789 1.00 0.00 N ATOM 746 NH2 ARG A 46 61.065 -3.123 -8.947 1.00 0.00 N ATOM 0 H ARG A 46 58.786 -0.287 -6.670 1.00 0.00 H new ATOM 0 HA ARG A 46 60.382 -2.280 -5.551 1.00 0.00 H new ATOM 0 HB2 ARG A 46 60.540 0.780 -5.468 1.00 0.00 H new ATOM 0 HB3 ARG A 46 61.807 -0.246 -4.825 1.00 0.00 H new ATOM 0 HG2 ARG A 46 60.842 -0.392 -7.714 1.00 0.00 H new ATOM 0 HG3 ARG A 46 62.176 0.621 -7.198 1.00 0.00 H new ATOM 0 HD2 ARG A 46 63.528 -1.309 -6.595 1.00 0.00 H new ATOM 0 HD3 ARG A 46 62.164 -2.399 -6.743 1.00 0.00 H new ATOM 0 HE ARG A 46 63.712 -1.183 -9.005 1.00 0.00 H new ATOM 0 HH11 ARG A 46 63.090 -1.787 -11.162 1.00 0.00 H new ATOM 0 HH12 ARG A 46 61.740 -2.897 -11.421 1.00 0.00 H new ATOM 0 HH21 ARG A 46 60.884 -3.133 -7.943 1.00 0.00 H new ATOM 0 HH22 ARG A 46 60.476 -3.668 -9.577 1.00 0.00 H new ATOM 760 N VAL A 47 58.759 -0.443 -3.301 1.00 0.00 N ATOM 761 CA VAL A 47 58.288 -0.439 -1.915 1.00 0.00 C ATOM 762 C VAL A 47 57.554 -1.732 -1.559 1.00 0.00 C ATOM 763 O VAL A 47 57.848 -2.350 -0.532 1.00 0.00 O ATOM 764 CB VAL A 47 57.427 0.798 -1.624 1.00 0.00 C ATOM 765 CG1 VAL A 47 56.747 0.733 -0.239 1.00 0.00 C ATOM 766 CG2 VAL A 47 58.332 2.048 -1.678 1.00 0.00 C ATOM 0 H VAL A 47 58.341 0.291 -3.872 1.00 0.00 H new ATOM 0 HA VAL A 47 59.168 -0.387 -1.274 1.00 0.00 H new ATOM 0 HB VAL A 47 56.638 0.841 -2.375 1.00 0.00 H new ATOM 0 HG11 VAL A 47 56.151 1.632 -0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 47 56.101 -0.144 -0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 47 57.509 0.665 0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 47 57.736 2.938 -1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 47 59.120 1.959 -0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 47 58.779 2.131 -2.669 1.00 0.00 H new ATOM 776 N LEU A 48 56.641 -2.219 -2.441 1.00 0.00 N ATOM 777 CA LEU A 48 55.989 -3.518 -2.302 1.00 0.00 C ATOM 778 C LEU A 48 56.962 -4.685 -2.337 1.00 0.00 C ATOM 779 O LEU A 48 56.880 -5.582 -1.496 1.00 0.00 O ATOM 780 CB LEU A 48 54.944 -3.737 -3.433 1.00 0.00 C ATOM 781 CG LEU A 48 53.634 -2.930 -3.295 1.00 0.00 C ATOM 782 CD1 LEU A 48 52.901 -2.840 -4.642 1.00 0.00 C ATOM 783 CD2 LEU A 48 52.691 -3.608 -2.289 1.00 0.00 C ATOM 0 H LEU A 48 56.345 -1.705 -3.271 1.00 0.00 H new ATOM 0 HA LEU A 48 55.509 -3.496 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 48 55.408 -3.483 -4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 48 54.694 -4.797 -3.473 1.00 0.00 H new ATOM 0 HG LEU A 48 53.902 -1.931 -2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 48 51.982 -2.267 -4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 48 53.541 -2.346 -5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 48 52.659 -3.843 -4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 48 51.773 -3.027 -2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 48 52.453 -4.614 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 48 53.177 -3.664 -1.315 1.00 0.00 H new ATOM 795 N TYR A 49 57.932 -4.690 -3.286 1.00 0.00 N ATOM 796 CA TYR A 49 58.897 -5.763 -3.450 1.00 0.00 C ATOM 797 C TYR A 49 59.796 -5.865 -2.223 1.00 0.00 C ATOM 798 O TYR A 49 59.975 -6.959 -1.694 1.00 0.00 O ATOM 799 CB TYR A 49 59.739 -5.564 -4.746 1.00 0.00 C ATOM 800 CG TYR A 49 60.506 -6.812 -5.118 1.00 0.00 C ATOM 801 CD1 TYR A 49 59.827 -7.809 -5.839 1.00 0.00 C ATOM 802 CD2 TYR A 49 61.854 -7.020 -4.780 1.00 0.00 C ATOM 803 CE1 TYR A 49 60.480 -8.987 -6.223 1.00 0.00 C ATOM 804 CE2 TYR A 49 62.511 -8.200 -5.162 1.00 0.00 C ATOM 805 CZ TYR A 49 61.824 -9.182 -5.887 1.00 0.00 C ATOM 806 OH TYR A 49 62.478 -10.367 -6.285 1.00 0.00 O ATOM 0 H TYR A 49 58.052 -3.932 -3.958 1.00 0.00 H new ATOM 0 HA TYR A 49 58.351 -6.701 -3.551 1.00 0.00 H new ATOM 0 HB2 TYR A 49 59.080 -5.285 -5.568 1.00 0.00 H new ATOM 0 HB3 TYR A 49 60.436 -4.739 -4.602 1.00 0.00 H new ATOM 0 HD1 TYR A 49 58.789 -7.665 -6.100 1.00 0.00 H new ATOM 0 HD2 TYR A 49 62.389 -6.266 -4.222 1.00 0.00 H new ATOM 0 HE1 TYR A 49 59.946 -9.744 -6.778 1.00 0.00 H new ATOM 0 HE2 TYR A 49 63.547 -8.351 -4.897 1.00 0.00 H new ATOM 0 HH TYR A 49 63.407 -10.348 -5.975 1.00 0.00 H new ATOM 816 N ARG A 50 60.314 -4.724 -1.688 1.00 0.00 N ATOM 817 CA ARG A 50 61.050 -4.731 -0.430 1.00 0.00 C ATOM 818 C ARG A 50 60.294 -5.203 0.780 1.00 0.00 C ATOM 819 O ARG A 50 60.817 -6.038 1.505 1.00 0.00 O ATOM 820 CB ARG A 50 61.656 -3.341 -0.065 1.00 0.00 C ATOM 821 CG ARG A 50 62.945 -3.001 -0.821 1.00 0.00 C ATOM 822 CD ARG A 50 64.097 -3.802 -0.186 1.00 0.00 C ATOM 823 NE ARG A 50 65.329 -3.743 -1.030 1.00 0.00 N ATOM 824 CZ ARG A 50 66.244 -2.729 -0.949 1.00 0.00 C ATOM 825 NH1 ARG A 50 66.052 -1.691 -0.088 1.00 0.00 N ATOM 826 NH2 ARG A 50 67.357 -2.779 -1.736 1.00 0.00 N ATOM 0 H ARG A 50 60.227 -3.804 -2.119 1.00 0.00 H new ATOM 0 HA ARG A 50 61.828 -5.462 -0.651 1.00 0.00 H new ATOM 0 HB2 ARG A 50 60.914 -2.569 -0.268 1.00 0.00 H new ATOM 0 HB3 ARG A 50 61.858 -3.315 1.006 1.00 0.00 H new ATOM 0 HG2 ARG A 50 62.844 -3.251 -1.877 1.00 0.00 H new ATOM 0 HG3 ARG A 50 63.149 -1.932 -0.765 1.00 0.00 H new ATOM 0 HD2 ARG A 50 64.314 -3.407 0.806 1.00 0.00 H new ATOM 0 HD3 ARG A 50 63.792 -4.840 -0.056 1.00 0.00 H new ATOM 0 HE ARG A 50 65.496 -4.495 -1.699 1.00 0.00 H new ATOM 0 HH11 ARG A 50 65.221 -1.666 0.503 1.00 0.00 H new ATOM 0 HH12 ARG A 50 66.739 -0.939 -0.034 1.00 0.00 H new ATOM 0 HH21 ARG A 50 67.497 -3.564 -2.372 1.00 0.00 H new ATOM 0 HH22 ARG A 50 68.049 -2.031 -1.688 1.00 0.00 H new ATOM 840 N HIS A 51 59.043 -4.747 1.012 1.00 0.00 N ATOM 841 CA HIS A 51 58.256 -5.203 2.151 1.00 0.00 C ATOM 842 C HIS A 51 57.884 -6.669 2.079 1.00 0.00 C ATOM 843 O HIS A 51 57.916 -7.369 3.086 1.00 0.00 O ATOM 844 CB HIS A 51 56.978 -4.355 2.343 1.00 0.00 C ATOM 845 CG HIS A 51 57.251 -2.996 2.934 1.00 0.00 C ATOM 846 ND1 HIS A 51 58.068 -2.033 2.381 1.00 0.00 N ATOM 847 CD2 HIS A 51 56.750 -2.440 4.069 1.00 0.00 C ATOM 848 CE1 HIS A 51 58.034 -0.962 3.212 1.00 0.00 C ATOM 849 NE2 HIS A 51 57.243 -1.161 4.248 1.00 0.00 N ATOM 0 H HIS A 51 58.568 -4.065 0.420 1.00 0.00 H new ATOM 0 HA HIS A 51 58.908 -5.072 3.014 1.00 0.00 H new ATOM 0 HB2 HIS A 51 56.483 -4.232 1.380 1.00 0.00 H new ATOM 0 HB3 HIS A 51 56.286 -4.894 2.991 1.00 0.00 H new ATOM 0 HD1 HIS A 51 58.597 -2.111 1.512 1.00 0.00 H new ATOM 0 HD2 HIS A 51 56.060 -2.931 4.740 1.00 0.00 H new ATOM 0 HE1 HIS A 51 58.590 -0.052 3.045 1.00 0.00 H new ATOM 857 N ASN A 52 57.511 -7.171 0.880 1.00 0.00 N ATOM 858 CA ASN A 52 57.250 -8.580 0.669 1.00 0.00 C ATOM 859 C ASN A 52 58.519 -9.439 0.805 1.00 0.00 C ATOM 860 O ASN A 52 58.492 -10.489 1.444 1.00 0.00 O ATOM 861 CB ASN A 52 56.582 -8.749 -0.726 1.00 0.00 C ATOM 862 CG ASN A 52 55.982 -10.141 -0.932 1.00 0.00 C ATOM 863 OD1 ASN A 52 55.314 -10.683 -0.049 1.00 0.00 O ATOM 864 ND2 ASN A 52 56.180 -10.721 -2.144 1.00 0.00 N ATOM 0 H ASN A 52 57.388 -6.598 0.045 1.00 0.00 H new ATOM 0 HA ASN A 52 56.575 -8.939 1.446 1.00 0.00 H new ATOM 0 HB2 ASN A 52 55.799 -8.000 -0.842 1.00 0.00 H new ATOM 0 HB3 ASN A 52 57.322 -8.559 -1.503 1.00 0.00 H new ATOM 0 HD21 ASN A 52 55.770 -11.633 -2.346 1.00 0.00 H new ATOM 0 HD22 ASN A 52 56.738 -10.245 -2.852 1.00 0.00 H new ATOM 871 N LEU A 53 59.664 -9.015 0.208 1.00 0.00 N ATOM 872 CA LEU A 53 60.942 -9.708 0.326 1.00 0.00 C ATOM 873 C LEU A 53 61.543 -9.703 1.727 1.00 0.00 C ATOM 874 O LEU A 53 61.948 -10.746 2.238 1.00 0.00 O ATOM 875 CB LEU A 53 61.980 -9.077 -0.638 1.00 0.00 C ATOM 876 CG LEU A 53 63.394 -9.702 -0.641 1.00 0.00 C ATOM 877 CD1 LEU A 53 63.400 -11.151 -1.154 1.00 0.00 C ATOM 878 CD2 LEU A 53 64.369 -8.819 -1.436 1.00 0.00 C ATOM 0 H LEU A 53 59.710 -8.175 -0.369 1.00 0.00 H new ATOM 0 HA LEU A 53 60.722 -10.745 0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 53 61.581 -9.132 -1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 53 62.076 -8.020 -0.390 1.00 0.00 H new ATOM 0 HG LEU A 53 63.731 -9.746 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 53 64.418 -11.540 -1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 53 62.765 -11.765 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 53 63.021 -11.177 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 53 65.360 -9.273 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 53 64.020 -8.726 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 53 64.419 -7.830 -0.980 1.00 0.00 H new ATOM 890 N LYS A 54 61.614 -8.522 2.384 1.00 0.00 N ATOM 891 CA LYS A 54 62.228 -8.398 3.688 1.00 0.00 C ATOM 892 C LYS A 54 61.273 -7.610 4.573 1.00 0.00 C ATOM 893 O LYS A 54 60.990 -6.437 4.335 1.00 0.00 O ATOM 894 CB LYS A 54 63.578 -7.643 3.574 1.00 0.00 C ATOM 895 CG LYS A 54 64.384 -7.552 4.880 1.00 0.00 C ATOM 896 CD LYS A 54 65.597 -6.606 4.803 1.00 0.00 C ATOM 897 CE LYS A 54 66.709 -7.068 3.862 1.00 0.00 C ATOM 898 NZ LYS A 54 67.825 -6.106 3.940 1.00 0.00 N ATOM 0 H LYS A 54 61.245 -7.647 2.013 1.00 0.00 H new ATOM 0 HA LYS A 54 62.423 -9.384 4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 54 64.191 -8.137 2.820 1.00 0.00 H new ATOM 0 HB3 LYS A 54 63.383 -6.633 3.214 1.00 0.00 H new ATOM 0 HG2 LYS A 54 63.724 -7.215 5.680 1.00 0.00 H new ATOM 0 HG3 LYS A 54 64.731 -8.549 5.151 1.00 0.00 H new ATOM 0 HD2 LYS A 54 65.254 -5.622 4.482 1.00 0.00 H new ATOM 0 HD3 LYS A 54 66.012 -6.488 5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 54 67.050 -8.065 4.141 1.00 0.00 H new ATOM 0 HE3 LYS A 54 66.336 -7.132 2.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 68.590 -6.409 3.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 67.491 -5.163 3.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 68.182 -6.067 4.916 1.00 0.00 H new ATOM 912 N GLY A 55 60.769 -8.215 5.668 1.00 0.00 N ATOM 913 CA GLY A 55 59.799 -7.541 6.518 1.00 0.00 C ATOM 914 C GLY A 55 60.483 -6.781 7.615 1.00 0.00 C ATOM 915 O GLY A 55 60.852 -7.352 8.639 1.00 0.00 O ATOM 0 H GLY A 55 61.021 -9.156 5.971 1.00 0.00 H new ATOM 0 HA2 GLY A 55 59.197 -6.858 5.918 1.00 0.00 H new ATOM 0 HA3 GLY A 55 59.116 -8.274 6.949 1.00 0.00 H new ATOM 919 N ARG A 56 60.661 -5.454 7.433 1.00 0.00 N ATOM 920 CA ARG A 56 61.276 -4.611 8.437 1.00 0.00 C ATOM 921 C ARG A 56 60.391 -4.367 9.651 1.00 0.00 C ATOM 922 O ARG A 56 59.162 -4.380 9.580 1.00 0.00 O ATOM 923 CB ARG A 56 61.725 -3.227 7.888 1.00 0.00 C ATOM 924 CG ARG A 56 60.599 -2.304 7.379 1.00 0.00 C ATOM 925 CD ARG A 56 61.017 -0.824 7.336 1.00 0.00 C ATOM 926 NE ARG A 56 61.009 -0.301 8.752 1.00 0.00 N ATOM 927 CZ ARG A 56 62.133 -0.035 9.484 1.00 0.00 C ATOM 928 NH1 ARG A 56 63.365 -0.038 8.907 1.00 0.00 N ATOM 929 NH2 ARG A 56 62.014 0.202 10.824 1.00 0.00 N ATOM 0 H ARG A 56 60.379 -4.957 6.588 1.00 0.00 H new ATOM 0 HA ARG A 56 62.153 -5.183 8.741 1.00 0.00 H new ATOM 0 HB2 ARG A 56 62.268 -2.705 8.676 1.00 0.00 H new ATOM 0 HB3 ARG A 56 62.429 -3.393 7.072 1.00 0.00 H new ATOM 0 HG2 ARG A 56 60.298 -2.621 6.380 1.00 0.00 H new ATOM 0 HG3 ARG A 56 59.727 -2.412 8.024 1.00 0.00 H new ATOM 0 HD2 ARG A 56 62.009 -0.720 6.896 1.00 0.00 H new ATOM 0 HD3 ARG A 56 60.330 -0.251 6.713 1.00 0.00 H new ATOM 0 HE ARG A 56 60.104 -0.135 9.193 1.00 0.00 H new ATOM 0 HH11 ARG A 56 63.462 -0.241 7.912 1.00 0.00 H new ATOM 0 HH12 ARG A 56 64.192 0.163 9.469 1.00 0.00 H new ATOM 0 HH21 ARG A 56 61.095 0.179 11.266 1.00 0.00 H new ATOM 0 HH22 ARG A 56 62.844 0.402 11.382 1.00 0.00 H new ATOM 943 N SER A 57 61.025 -4.129 10.818 1.00 0.00 N ATOM 944 CA SER A 57 60.313 -3.705 12.011 1.00 0.00 C ATOM 945 C SER A 57 61.149 -2.681 12.758 1.00 0.00 C ATOM 946 O SER A 57 60.677 -1.590 13.073 1.00 0.00 O ATOM 947 CB SER A 57 60.007 -4.927 12.925 1.00 0.00 C ATOM 948 OG SER A 57 59.271 -4.565 14.093 1.00 0.00 O ATOM 0 H SER A 57 62.032 -4.228 10.945 1.00 0.00 H new ATOM 0 HA SER A 57 59.365 -3.253 11.721 1.00 0.00 H new ATOM 0 HB2 SER A 57 59.442 -5.668 12.359 1.00 0.00 H new ATOM 0 HB3 SER A 57 60.944 -5.399 13.221 1.00 0.00 H new ATOM 0 HG SER A 57 59.102 -5.365 14.634 1.00 0.00 H new ATOM 954 N ALA A 58 62.440 -2.995 13.016 1.00 0.00 N ATOM 955 CA ALA A 58 63.326 -2.165 13.805 1.00 0.00 C ATOM 956 C ALA A 58 64.503 -1.670 12.978 1.00 0.00 C ATOM 957 O ALA A 58 64.412 -0.641 12.306 1.00 0.00 O ATOM 958 CB ALA A 58 63.807 -2.969 15.036 1.00 0.00 C ATOM 0 H ALA A 58 62.883 -3.846 12.669 1.00 0.00 H new ATOM 0 HA ALA A 58 62.782 -1.282 14.142 1.00 0.00 H new ATOM 0 HB1 ALA A 58 64.475 -2.351 15.636 1.00 0.00 H new ATOM 0 HB2 ALA A 58 62.947 -3.263 15.637 1.00 0.00 H new ATOM 0 HB3 ALA A 58 64.339 -3.861 14.703 1.00 0.00 H new ATOM 964 N ARG A 59 65.644 -2.391 13.018 1.00 0.00 N ATOM 965 CA ARG A 59 66.874 -2.012 12.353 1.00 0.00 C ATOM 966 C ARG A 59 67.351 -3.173 11.508 1.00 0.00 C ATOM 967 O ARG A 59 67.172 -4.336 11.874 1.00 0.00 O ATOM 968 CB ARG A 59 68.010 -1.656 13.345 1.00 0.00 C ATOM 969 CG ARG A 59 67.727 -0.419 14.217 1.00 0.00 C ATOM 970 CD ARG A 59 68.919 -0.044 15.112 1.00 0.00 C ATOM 971 NE ARG A 59 69.127 -1.137 16.125 1.00 0.00 N ATOM 972 CZ ARG A 59 70.360 -1.531 16.568 1.00 0.00 C ATOM 973 NH1 ARG A 59 70.443 -2.530 17.492 1.00 0.00 N ATOM 974 NH2 ARG A 59 71.491 -0.939 16.092 1.00 0.00 N ATOM 0 H ARG A 59 65.720 -3.270 13.530 1.00 0.00 H new ATOM 0 HA ARG A 59 66.654 -1.128 11.755 1.00 0.00 H new ATOM 0 HB2 ARG A 59 68.189 -2.512 13.996 1.00 0.00 H new ATOM 0 HB3 ARG A 59 68.928 -1.487 12.782 1.00 0.00 H new ATOM 0 HG2 ARG A 59 67.480 0.426 13.574 1.00 0.00 H new ATOM 0 HG3 ARG A 59 66.854 -0.611 14.841 1.00 0.00 H new ATOM 0 HD2 ARG A 59 69.817 0.088 14.509 1.00 0.00 H new ATOM 0 HD3 ARG A 59 68.730 0.905 15.614 1.00 0.00 H new ATOM 0 HE ARG A 59 68.305 -1.609 16.501 1.00 0.00 H new ATOM 0 HH11 ARG A 59 69.593 -2.972 17.843 1.00 0.00 H new ATOM 0 HH12 ARG A 59 71.355 -2.835 17.832 1.00 0.00 H new ATOM 0 HH21 ARG A 59 71.424 -0.194 15.398 1.00 0.00 H new ATOM 0 HH22 ARG A 59 72.405 -1.241 16.429 1.00 0.00 H new ATOM 988 N LYS A 60 67.980 -2.868 10.348 1.00 0.00 N ATOM 989 CA LYS A 60 68.573 -3.832 9.436 1.00 0.00 C ATOM 990 C LYS A 60 67.620 -4.936 8.976 1.00 0.00 C ATOM 991 O LYS A 60 66.583 -4.658 8.379 1.00 0.00 O ATOM 992 CB LYS A 60 69.901 -4.413 10.012 1.00 0.00 C ATOM 993 CG LYS A 60 71.012 -3.366 10.193 1.00 0.00 C ATOM 994 CD LYS A 60 72.301 -3.995 10.756 1.00 0.00 C ATOM 995 CE LYS A 60 73.599 -3.399 10.204 1.00 0.00 C ATOM 996 NZ LYS A 60 73.733 -3.730 8.770 1.00 0.00 N ATOM 0 H LYS A 60 68.083 -1.906 10.025 1.00 0.00 H new ATOM 0 HA LYS A 60 68.807 -3.271 8.531 1.00 0.00 H new ATOM 0 HB2 LYS A 60 69.694 -4.879 10.975 1.00 0.00 H new ATOM 0 HB3 LYS A 60 70.261 -5.199 9.348 1.00 0.00 H new ATOM 0 HG2 LYS A 60 71.226 -2.893 9.235 1.00 0.00 H new ATOM 0 HG3 LYS A 60 70.666 -2.581 10.865 1.00 0.00 H new ATOM 0 HD2 LYS A 60 72.299 -3.885 11.840 1.00 0.00 H new ATOM 0 HD3 LYS A 60 72.290 -5.064 10.544 1.00 0.00 H new ATOM 0 HE2 LYS A 60 73.599 -2.317 10.338 1.00 0.00 H new ATOM 0 HE3 LYS A 60 74.453 -3.789 10.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 74.725 -3.617 8.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 73.435 -4.714 8.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 73.133 -3.092 8.209 1.00 0.00 H new ATOM 1010 N LEU A 61 67.984 -6.221 9.198 1.00 0.00 N ATOM 1011 CA LEU A 61 67.255 -7.390 8.741 1.00 0.00 C ATOM 1012 C LEU A 61 65.879 -7.529 9.383 1.00 0.00 C ATOM 1013 O LEU A 61 64.890 -7.821 8.717 1.00 0.00 O ATOM 1014 CB LEU A 61 68.099 -8.657 9.027 1.00 0.00 C ATOM 1015 CG LEU A 61 67.506 -9.993 8.525 1.00 0.00 C ATOM 1016 CD1 LEU A 61 67.460 -10.026 6.988 1.00 0.00 C ATOM 1017 CD2 LEU A 61 68.305 -11.179 9.084 1.00 0.00 C ATOM 0 H LEU A 61 68.826 -6.462 9.721 1.00 0.00 H new ATOM 0 HA LEU A 61 67.087 -7.269 7.671 1.00 0.00 H new ATOM 0 HB2 LEU A 61 69.081 -8.525 8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 61 68.252 -8.732 10.104 1.00 0.00 H new ATOM 0 HG LEU A 61 66.482 -10.076 8.889 1.00 0.00 H new ATOM 0 HD11 LEU A 61 67.039 -10.975 6.657 1.00 0.00 H new ATOM 0 HD12 LEU A 61 66.839 -9.207 6.625 1.00 0.00 H new ATOM 0 HD13 LEU A 61 68.470 -9.919 6.591 1.00 0.00 H new ATOM 0 HD21 LEU A 61 67.874 -12.112 8.721 1.00 0.00 H new ATOM 0 HD22 LEU A 61 69.342 -11.106 8.756 1.00 0.00 H new ATOM 0 HD23 LEU A 61 68.267 -11.162 10.173 1.00 0.00 H new ATOM 1029 N GLU A 62 65.802 -7.330 10.718 1.00 0.00 N ATOM 1030 CA GLU A 62 64.578 -7.471 11.497 1.00 0.00 C ATOM 1031 C GLU A 62 64.311 -6.189 12.329 1.00 0.00 C ATOM 1032 O GLU A 62 63.426 -5.382 11.929 1.00 0.00 O ATOM 1033 CB GLU A 62 64.656 -8.711 12.437 1.00 0.00 C ATOM 1034 CG GLU A 62 64.697 -10.082 11.712 1.00 0.00 C ATOM 1035 CD GLU A 62 63.389 -10.466 11.010 1.00 0.00 C ATOM 1036 OE1 GLU A 62 62.311 -10.008 11.464 1.00 0.00 O ATOM 1037 OE2 GLU A 62 63.473 -11.264 10.039 1.00 0.00 O ATOM 1038 OXT GLU A 62 64.971 -6.015 13.388 1.00 0.00 O ATOM 0 H GLU A 62 66.609 -7.063 11.282 1.00 0.00 H new ATOM 0 HA GLU A 62 63.752 -7.617 10.801 1.00 0.00 H new ATOM 0 HB2 GLU A 62 65.545 -8.620 13.061 1.00 0.00 H new ATOM 0 HB3 GLU A 62 63.795 -8.696 13.105 1.00 0.00 H new ATOM 0 HG2 GLU A 62 65.500 -10.066 10.975 1.00 0.00 H new ATOM 0 HG3 GLU A 62 64.947 -10.856 12.438 1.00 0.00 H new TER 1045 GLU A 62