USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 585 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 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot -3:sc= 0.107 USER MOD Single : A 7 TYR OH : rot -179:sc= -6.98! USER MOD Single : A 10 MET CE :methyl -137:sc= -19.8! (180deg=-22.3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 62:sc= 1.13 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -126:sc= -1.63! USER MOD Single : A 22 LYS NZ :NH3+ 159:sc= -0.446 (180deg=-1.78!) USER MOD Single : A 23 THR OG1 : rot 100:sc= 0.00881 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -144:sc= -0.425 (180deg=-1.97!) USER MOD Single : A 32 TYR OH : rot -15:sc= -0.17 USER MOD Single : A 33 HIS : no HD1:sc= -5.02! C(o=-5!,f=-8.7!) USER MOD Single : A 37 SER OG : rot -100:sc= -5.28! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 116:sc= -1.06! USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot -91:sc= -6.08! USER MOD Single : A 67 GLN : amide:sc= -1.12 K(o=-1.1,f=-3.3!) USER MOD Single : A 68 MET CE :methyl -125:sc= -14.5! (180deg=-19.7!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS : no HD1:sc= -2.31 X(o=-2.3,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 4.118 -1.478 -6.529 1.00 25.11 N ATOM 2 CA GLU A 2 3.237 -0.383 -7.030 1.00 22.31 C ATOM 3 C GLU A 2 3.896 0.310 -8.225 1.00 71.24 C ATOM 4 O GLU A 2 4.883 1.004 -8.083 1.00 70.44 O ATOM 5 CB GLU A 2 3.103 0.585 -5.855 1.00 44.23 C ATOM 6 CG GLU A 2 2.602 -0.171 -4.622 1.00 53.11 C ATOM 7 CD GLU A 2 1.093 -0.398 -4.735 1.00 35.35 C ATOM 8 OE1 GLU A 2 0.352 0.532 -4.462 1.00 24.15 O ATOM 9 OE2 GLU A 2 0.704 -1.497 -5.093 1.00 53.21 O ATOM 0 HA GLU A 2 2.267 -0.749 -7.367 1.00 22.31 H new ATOM 0 HB2 GLU A 2 4.065 1.050 -5.643 1.00 44.23 H new ATOM 0 HB3 GLU A 2 2.410 1.387 -6.109 1.00 44.23 H new ATOM 0 HG2 GLU A 2 3.118 -1.127 -4.535 1.00 53.11 H new ATOM 0 HG3 GLU A 2 2.828 0.396 -3.719 1.00 53.11 H new ATOM 16 N LEU A 3 3.365 0.124 -9.402 1.00 22.12 N ATOM 17 CA LEU A 3 3.977 0.772 -10.597 1.00 41.13 C ATOM 18 C LEU A 3 3.506 2.197 -10.748 1.00 60.35 C ATOM 19 O LEU A 3 2.343 2.458 -10.985 1.00 10.42 O ATOM 20 CB LEU A 3 3.478 -0.002 -11.813 1.00 14.20 C ATOM 21 CG LEU A 3 4.295 0.355 -13.053 1.00 4.41 C ATOM 22 CD1 LEU A 3 4.047 1.810 -13.417 1.00 72.32 C ATOM 23 CD2 LEU A 3 5.778 0.170 -12.792 1.00 3.02 C ATOM 0 H LEU A 3 2.539 -0.445 -9.588 1.00 22.12 H new ATOM 0 HA LEU A 3 5.062 0.769 -10.498 1.00 41.13 H new ATOM 0 HB2 LEU A 3 3.547 -1.073 -11.622 1.00 14.20 H new ATOM 0 HB3 LEU A 3 2.426 0.224 -11.987 1.00 14.20 H new ATOM 0 HG LEU A 3 3.990 -0.302 -13.867 1.00 4.41 H new ATOM 0 HD11 LEU A 3 4.629 2.068 -14.302 1.00 72.32 H new ATOM 0 HD12 LEU A 3 2.987 1.958 -13.624 1.00 72.32 H new ATOM 0 HD13 LEU A 3 4.347 2.449 -12.587 1.00 72.32 H new ATOM 0 HD21 LEU A 3 6.340 0.430 -13.689 1.00 3.02 H new ATOM 0 HD22 LEU A 3 6.086 0.816 -11.970 1.00 3.02 H new ATOM 0 HD23 LEU A 3 5.974 -0.869 -12.529 1.00 3.02 H new ATOM 35 N LYS A 4 4.407 3.114 -10.724 1.00 53.31 N ATOM 36 CA LYS A 4 4.005 4.496 -10.990 1.00 61.43 C ATOM 37 C LYS A 4 3.828 4.583 -12.471 1.00 13.32 C ATOM 38 O LYS A 4 4.775 4.529 -13.196 1.00 52.55 O ATOM 39 CB LYS A 4 5.146 5.378 -10.531 1.00 20.22 C ATOM 40 CG LYS A 4 4.600 6.389 -9.543 1.00 34.00 C ATOM 41 CD LYS A 4 5.359 7.709 -9.681 1.00 14.02 C ATOM 42 CE LYS A 4 5.798 8.186 -8.293 1.00 63.44 C ATOM 43 NZ LYS A 4 4.576 8.777 -7.671 1.00 4.21 N ATOM 0 H LYS A 4 5.398 2.967 -10.533 1.00 53.31 H new ATOM 0 HA LYS A 4 3.090 4.801 -10.481 1.00 61.43 H new ATOM 0 HB2 LYS A 4 5.927 4.777 -10.066 1.00 20.22 H new ATOM 0 HB3 LYS A 4 5.599 5.886 -11.382 1.00 20.22 H new ATOM 0 HG2 LYS A 4 3.537 6.550 -9.723 1.00 34.00 H new ATOM 0 HG3 LYS A 4 4.697 6.007 -8.527 1.00 34.00 H new ATOM 0 HD2 LYS A 4 6.228 7.577 -10.325 1.00 14.02 H new ATOM 0 HD3 LYS A 4 4.724 8.459 -10.153 1.00 14.02 H new ATOM 0 HE2 LYS A 4 6.181 7.358 -7.696 1.00 63.44 H new ATOM 0 HE3 LYS A 4 6.597 8.923 -8.366 1.00 63.44 H new ATOM 0 HZ1 LYS A 4 4.805 9.124 -6.718 1.00 4.21 H new ATOM 0 HZ2 LYS A 4 4.237 9.568 -8.255 1.00 4.21 H new ATOM 0 HZ3 LYS A 4 3.834 8.051 -7.606 1.00 4.21 H new ATOM 57 N ASP A 5 2.629 4.660 -12.930 1.00 61.21 N ATOM 58 CA ASP A 5 2.422 4.668 -14.395 1.00 25.54 C ATOM 59 C ASP A 5 3.086 5.895 -15.008 1.00 54.23 C ATOM 60 O ASP A 5 2.456 6.767 -15.551 1.00 52.54 O ATOM 61 CB ASP A 5 0.904 4.692 -14.567 1.00 23.11 C ATOM 62 CG ASP A 5 0.340 5.982 -13.971 1.00 55.01 C ATOM 63 OD1 ASP A 5 1.109 6.726 -13.386 1.00 50.43 O ATOM 64 OD2 ASP A 5 -0.852 6.204 -14.110 1.00 45.01 O ATOM 0 H ASP A 5 1.783 4.718 -12.363 1.00 61.21 H new ATOM 0 HA ASP A 5 2.863 3.807 -14.897 1.00 25.54 H new ATOM 0 HB2 ASP A 5 0.647 4.625 -15.624 1.00 23.11 H new ATOM 0 HB3 ASP A 5 0.459 3.827 -14.075 1.00 23.11 H new ATOM 69 N TYR A 6 4.385 5.949 -14.918 1.00 10.12 N ATOM 70 CA TYR A 6 5.150 7.078 -15.490 1.00 40.32 C ATOM 71 C TYR A 6 4.602 7.444 -16.789 1.00 53.12 C ATOM 72 O TYR A 6 4.207 8.557 -17.054 1.00 44.21 O ATOM 73 CB TYR A 6 6.500 6.522 -15.756 1.00 73.11 C ATOM 74 CG TYR A 6 7.173 6.326 -14.474 1.00 65.35 C ATOM 75 CD1 TYR A 6 7.028 7.219 -13.420 1.00 13.12 C ATOM 76 CD2 TYR A 6 7.933 5.225 -14.349 1.00 30.12 C ATOM 77 CE1 TYR A 6 7.679 6.977 -12.240 1.00 11.13 C ATOM 78 CE2 TYR A 6 8.581 4.948 -13.180 1.00 51.35 C ATOM 79 CZ TYR A 6 8.470 5.829 -12.098 1.00 45.05 C ATOM 80 OH TYR A 6 9.117 5.569 -10.908 1.00 70.40 O ATOM 0 H TYR A 6 4.956 5.239 -14.460 1.00 10.12 H new ATOM 0 HA TYR A 6 5.134 7.941 -14.824 1.00 40.32 H new ATOM 0 HB2 TYR A 6 6.423 5.577 -16.293 1.00 73.11 H new ATOM 0 HB3 TYR A 6 7.074 7.201 -16.387 1.00 73.11 H new ATOM 0 HD1 TYR A 6 6.408 8.096 -13.530 1.00 13.12 H new ATOM 0 HD2 TYR A 6 8.033 4.549 -15.186 1.00 30.12 H new ATOM 0 HE1 TYR A 6 7.583 7.671 -11.418 1.00 11.13 H new ATOM 0 HE2 TYR A 6 9.177 4.052 -13.090 1.00 51.35 H new ATOM 0 HH TYR A 6 8.964 6.309 -10.284 1.00 70.40 H new ATOM 90 N TYR A 7 4.616 6.495 -17.629 1.00 63.32 N ATOM 91 CA TYR A 7 4.142 6.736 -18.952 1.00 73.15 C ATOM 92 C TYR A 7 2.879 7.495 -18.896 1.00 71.33 C ATOM 93 O TYR A 7 2.567 8.339 -19.711 1.00 24.12 O ATOM 94 CB TYR A 7 3.926 5.362 -19.535 1.00 40.22 C ATOM 95 CG TYR A 7 5.249 4.739 -19.747 1.00 53.22 C ATOM 96 CD1 TYR A 7 6.342 5.541 -20.043 1.00 13.24 C ATOM 97 CD2 TYR A 7 5.371 3.369 -19.699 1.00 51.53 C ATOM 98 CE1 TYR A 7 7.571 4.982 -20.284 1.00 73.32 C ATOM 99 CE2 TYR A 7 6.607 2.784 -19.961 1.00 33.40 C ATOM 100 CZ TYR A 7 7.715 3.592 -20.255 1.00 65.44 C ATOM 101 OH TYR A 7 8.933 3.018 -20.525 1.00 42.13 O ATOM 0 H TYR A 7 4.944 5.547 -17.443 1.00 63.32 H new ATOM 0 HA TYR A 7 4.835 7.323 -19.554 1.00 73.15 H new ATOM 0 HB2 TYR A 7 3.323 4.754 -18.861 1.00 40.22 H new ATOM 0 HB3 TYR A 7 3.382 5.430 -20.477 1.00 40.22 H new ATOM 0 HD1 TYR A 7 6.224 6.614 -20.084 1.00 13.24 H new ATOM 0 HD2 TYR A 7 4.516 2.754 -19.460 1.00 51.53 H new ATOM 0 HE1 TYR A 7 8.422 5.612 -20.495 1.00 73.32 H new ATOM 0 HE2 TYR A 7 6.712 1.709 -19.938 1.00 33.40 H new ATOM 0 HH TYR A 7 8.853 2.042 -20.476 1.00 42.13 H new ATOM 111 N ALA A 8 2.179 7.211 -17.907 1.00 12.22 N ATOM 112 CA ALA A 8 0.938 7.901 -17.709 1.00 62.11 C ATOM 113 C ALA A 8 1.277 9.259 -17.147 1.00 51.21 C ATOM 114 O ALA A 8 0.902 10.297 -17.655 1.00 41.53 O ATOM 115 CB ALA A 8 0.286 7.051 -16.649 1.00 22.23 C ATOM 0 H ALA A 8 2.412 6.512 -17.202 1.00 12.22 H new ATOM 0 HA ALA A 8 0.317 8.038 -18.594 1.00 62.11 H new ATOM 0 HB1 ALA A 8 -0.688 7.469 -16.396 1.00 22.23 H new ATOM 0 HB2 ALA A 8 0.159 6.036 -17.024 1.00 22.23 H new ATOM 0 HB3 ALA A 8 0.915 7.033 -15.759 1.00 22.23 H new ATOM 121 N ILE A 9 2.038 9.221 -16.100 1.00 30.24 N ATOM 122 CA ILE A 9 2.501 10.454 -15.452 1.00 15.23 C ATOM 123 C ILE A 9 2.952 11.421 -16.520 1.00 12.32 C ATOM 124 O ILE A 9 2.533 12.558 -16.605 1.00 70.24 O ATOM 125 CB ILE A 9 3.715 9.989 -14.668 1.00 2.33 C ATOM 126 CG1 ILE A 9 3.300 9.627 -13.273 1.00 32.01 C ATOM 127 CG2 ILE A 9 4.765 11.066 -14.613 1.00 41.42 C ATOM 128 CD1 ILE A 9 3.815 8.234 -13.031 1.00 73.03 C ATOM 0 H ILE A 9 2.364 8.361 -15.659 1.00 30.24 H new ATOM 0 HA ILE A 9 1.743 10.943 -14.840 1.00 15.23 H new ATOM 0 HB ILE A 9 4.137 9.119 -15.170 1.00 2.33 H new ATOM 0 HG12 ILE A 9 3.716 10.327 -12.549 1.00 32.01 H new ATOM 0 HG13 ILE A 9 2.216 9.665 -13.167 1.00 32.01 H new ATOM 0 HG21 ILE A 9 5.624 10.708 -14.046 1.00 41.42 H new ATOM 0 HG22 ILE A 9 5.079 11.320 -15.625 1.00 41.42 H new ATOM 0 HG23 ILE A 9 4.353 11.951 -14.128 1.00 41.42 H new ATOM 0 HD11 ILE A 9 3.542 7.915 -12.025 1.00 73.03 H new ATOM 0 HD12 ILE A 9 3.377 7.552 -13.760 1.00 73.03 H new ATOM 0 HD13 ILE A 9 4.900 8.225 -13.132 1.00 73.03 H new ATOM 140 N MET A 10 3.861 10.942 -17.304 1.00 40.44 N ATOM 141 CA MET A 10 4.452 11.753 -18.363 1.00 65.31 C ATOM 142 C MET A 10 3.556 11.817 -19.595 1.00 52.01 C ATOM 143 O MET A 10 3.954 12.255 -20.656 1.00 74.43 O ATOM 144 CB MET A 10 5.785 11.100 -18.581 1.00 71.33 C ATOM 145 CG MET A 10 5.660 9.754 -19.261 1.00 74.40 C ATOM 146 SD MET A 10 7.099 9.534 -20.325 1.00 31.30 S ATOM 147 CE MET A 10 8.377 10.277 -19.266 1.00 52.33 C ATOM 0 H MET A 10 4.224 9.991 -17.245 1.00 40.44 H new ATOM 0 HA MET A 10 4.568 12.807 -18.110 1.00 65.31 H new ATOM 0 HB2 MET A 10 6.413 11.754 -19.187 1.00 71.33 H new ATOM 0 HB3 MET A 10 6.287 10.975 -17.622 1.00 71.33 H new ATOM 0 HG2 MET A 10 5.608 8.956 -18.520 1.00 74.40 H new ATOM 0 HG3 MET A 10 4.742 9.706 -19.846 1.00 74.40 H new ATOM 0 HE1 MET A 10 9.030 10.906 -19.871 1.00 52.33 H new ATOM 0 HE2 MET A 10 7.903 10.883 -18.494 1.00 52.33 H new ATOM 0 HE3 MET A 10 8.965 9.488 -18.797 1.00 52.33 H new ATOM 157 N GLY A 11 2.333 11.400 -19.439 1.00 0.32 N ATOM 158 CA GLY A 11 1.362 11.450 -20.575 1.00 33.42 C ATOM 159 C GLY A 11 2.025 10.804 -21.767 1.00 41.21 C ATOM 160 O GLY A 11 2.569 11.459 -22.633 1.00 60.12 O ATOM 0 H GLY A 11 1.957 11.023 -18.569 1.00 0.32 H new ATOM 0 HA2 GLY A 11 0.442 10.925 -20.317 1.00 33.42 H new ATOM 0 HA3 GLY A 11 1.088 12.481 -20.800 1.00 33.42 H new ATOM 164 N VAL A 12 2.061 9.517 -21.761 1.00 0.41 N ATOM 165 CA VAL A 12 2.767 8.797 -22.814 1.00 53.34 C ATOM 166 C VAL A 12 2.109 7.462 -23.096 1.00 35.11 C ATOM 167 O VAL A 12 0.942 7.232 -22.852 1.00 73.01 O ATOM 168 CB VAL A 12 4.116 8.622 -22.134 1.00 74.32 C ATOM 169 CG1 VAL A 12 4.307 7.282 -21.523 1.00 72.01 C ATOM 170 CG2 VAL A 12 5.250 8.813 -23.019 1.00 44.52 C ATOM 0 H VAL A 12 1.621 8.928 -21.055 1.00 0.41 H new ATOM 0 HA VAL A 12 2.798 9.293 -23.784 1.00 53.34 H new ATOM 0 HB VAL A 12 4.089 9.398 -21.369 1.00 74.32 H new ATOM 0 HG11 VAL A 12 5.291 7.231 -21.057 1.00 72.01 H new ATOM 0 HG12 VAL A 12 3.539 7.114 -20.768 1.00 72.01 H new ATOM 0 HG13 VAL A 12 4.231 6.516 -22.295 1.00 72.01 H new ATOM 0 HG21 VAL A 12 6.175 8.672 -22.460 1.00 44.52 H new ATOM 0 HG22 VAL A 12 5.203 8.089 -23.832 1.00 44.52 H new ATOM 0 HG23 VAL A 12 5.225 9.822 -23.430 1.00 44.52 H new ATOM 180 N LYS A 13 2.898 6.600 -23.606 1.00 44.11 N ATOM 181 CA LYS A 13 2.456 5.233 -23.947 1.00 71.24 C ATOM 182 C LYS A 13 3.045 4.257 -22.923 1.00 52.43 C ATOM 183 O LYS A 13 4.182 4.406 -22.524 1.00 23.53 O ATOM 184 CB LYS A 13 3.098 5.038 -25.297 1.00 25.51 C ATOM 185 CG LYS A 13 2.100 5.325 -26.421 1.00 52.52 C ATOM 186 CD LYS A 13 1.623 6.768 -26.329 1.00 53.01 C ATOM 187 CE LYS A 13 2.253 7.596 -27.449 1.00 63.42 C ATOM 188 NZ LYS A 13 1.114 7.985 -28.327 1.00 15.53 N ATOM 0 H LYS A 13 3.879 6.785 -23.814 1.00 44.11 H new ATOM 0 HA LYS A 13 1.377 5.078 -23.951 1.00 71.24 H new ATOM 0 HB2 LYS A 13 3.960 5.698 -25.393 1.00 25.51 H new ATOM 0 HB3 LYS A 13 3.467 4.016 -25.385 1.00 25.51 H new ATOM 0 HG2 LYS A 13 2.568 5.148 -27.389 1.00 52.52 H new ATOM 0 HG3 LYS A 13 1.251 4.646 -26.348 1.00 52.52 H new ATOM 0 HD2 LYS A 13 0.536 6.806 -26.404 1.00 53.01 H new ATOM 0 HD3 LYS A 13 1.891 7.188 -25.359 1.00 53.01 H new ATOM 0 HE2 LYS A 13 2.763 8.474 -27.052 1.00 63.42 H new ATOM 0 HE3 LYS A 13 2.995 7.017 -27.998 1.00 63.42 H new ATOM 0 HZ1 LYS A 13 1.467 8.557 -29.121 1.00 15.53 H new ATOM 0 HZ2 LYS A 13 0.652 7.129 -28.695 1.00 15.53 H new ATOM 0 HZ3 LYS A 13 0.427 8.541 -27.779 1.00 15.53 H new ATOM 202 N PRO A 14 2.264 3.297 -22.518 1.00 30.42 N ATOM 203 CA PRO A 14 2.750 2.318 -21.518 1.00 32.22 C ATOM 204 C PRO A 14 3.748 1.342 -22.147 1.00 10.23 C ATOM 205 O PRO A 14 4.378 0.559 -21.464 1.00 60.54 O ATOM 206 CB PRO A 14 1.485 1.601 -21.073 1.00 74.32 C ATOM 207 CG PRO A 14 0.524 1.754 -22.211 1.00 42.54 C ATOM 208 CD PRO A 14 0.886 3.028 -22.937 1.00 54.14 C ATOM 0 HA PRO A 14 3.281 2.786 -20.689 1.00 32.22 H new ATOM 0 HB2 PRO A 14 1.682 0.550 -20.863 1.00 74.32 H new ATOM 0 HB3 PRO A 14 1.085 2.039 -20.159 1.00 74.32 H new ATOM 0 HG2 PRO A 14 0.585 0.898 -22.883 1.00 42.54 H new ATOM 0 HG3 PRO A 14 -0.502 1.799 -21.844 1.00 42.54 H new ATOM 0 HD2 PRO A 14 0.814 2.905 -24.018 1.00 54.14 H new ATOM 0 HD3 PRO A 14 0.219 3.846 -22.664 1.00 54.14 H new ATOM 216 N THR A 15 3.904 1.383 -23.440 1.00 10.53 N ATOM 217 CA THR A 15 4.871 0.456 -24.102 1.00 54.01 C ATOM 218 C THR A 15 5.632 1.202 -25.203 1.00 74.43 C ATOM 219 O THR A 15 5.967 0.642 -26.227 1.00 62.51 O ATOM 220 CB THR A 15 4.034 -0.682 -24.715 1.00 52.42 C ATOM 221 OG1 THR A 15 3.833 -0.425 -26.096 1.00 54.33 O ATOM 222 CG2 THR A 15 2.673 -0.798 -24.020 1.00 53.20 C ATOM 0 H THR A 15 3.407 2.015 -24.068 1.00 10.53 H new ATOM 0 HA THR A 15 5.602 0.068 -23.393 1.00 54.01 H new ATOM 0 HB THR A 15 4.574 -1.619 -24.580 1.00 52.42 H new ATOM 0 HG1 THR A 15 4.698 -0.413 -26.556 1.00 54.33 H new ATOM 0 HG21 THR A 15 2.102 -1.609 -24.472 1.00 53.20 H new ATOM 0 HG22 THR A 15 2.822 -1.006 -22.960 1.00 53.20 H new ATOM 0 HG23 THR A 15 2.126 0.138 -24.133 1.00 53.20 H new ATOM 230 N ASP A 16 5.897 2.466 -25.003 1.00 13.21 N ATOM 231 CA ASP A 16 6.624 3.250 -26.043 1.00 51.21 C ATOM 232 C ASP A 16 8.130 3.248 -25.791 1.00 14.50 C ATOM 233 O ASP A 16 8.640 2.493 -24.987 1.00 1.13 O ATOM 234 CB ASP A 16 6.079 4.658 -25.924 1.00 0.34 C ATOM 235 CG ASP A 16 5.392 5.028 -27.244 1.00 54.13 C ATOM 236 OD1 ASP A 16 5.695 4.394 -28.242 1.00 51.14 O ATOM 237 OD2 ASP A 16 4.581 5.934 -27.242 1.00 64.01 O ATOM 0 H ASP A 16 5.642 2.989 -24.165 1.00 13.21 H new ATOM 0 HA ASP A 16 6.477 2.825 -27.036 1.00 51.21 H new ATOM 0 HB2 ASP A 16 5.371 4.721 -25.098 1.00 0.34 H new ATOM 0 HB3 ASP A 16 6.885 5.359 -25.707 1.00 0.34 H new ATOM 242 N ASP A 17 8.841 4.109 -26.464 1.00 14.55 N ATOM 243 CA ASP A 17 10.313 4.193 -26.268 1.00 55.42 C ATOM 244 C ASP A 17 10.642 5.560 -25.683 1.00 52.43 C ATOM 245 O ASP A 17 9.755 6.305 -25.315 1.00 3.25 O ATOM 246 CB ASP A 17 10.923 4.036 -27.662 1.00 31.21 C ATOM 247 CG ASP A 17 10.406 5.148 -28.575 1.00 42.12 C ATOM 248 OD1 ASP A 17 9.219 5.424 -28.525 1.00 34.31 O ATOM 249 OD2 ASP A 17 11.206 5.704 -29.310 1.00 61.05 O ATOM 0 H ASP A 17 8.461 4.764 -27.147 1.00 14.55 H new ATOM 0 HA ASP A 17 10.699 3.432 -25.589 1.00 55.42 H new ATOM 0 HB2 ASP A 17 12.011 4.078 -27.601 1.00 31.21 H new ATOM 0 HB3 ASP A 17 10.664 3.062 -28.076 1.00 31.21 H new ATOM 254 N LEU A 18 11.889 5.911 -25.578 1.00 21.13 N ATOM 255 CA LEU A 18 12.203 7.235 -25.001 1.00 74.41 C ATOM 256 C LEU A 18 11.693 8.354 -25.910 1.00 41.21 C ATOM 257 O LEU A 18 11.376 9.432 -25.451 1.00 13.11 O ATOM 258 CB LEU A 18 13.727 7.294 -24.860 1.00 72.14 C ATOM 259 CG LEU A 18 14.159 7.590 -23.405 1.00 21.13 C ATOM 260 CD1 LEU A 18 15.225 8.682 -23.421 1.00 32.22 C ATOM 261 CD2 LEU A 18 12.996 8.096 -22.551 1.00 14.45 C ATOM 0 H LEU A 18 12.690 5.347 -25.862 1.00 21.13 H new ATOM 0 HA LEU A 18 11.717 7.371 -24.035 1.00 74.41 H new ATOM 0 HB2 LEU A 18 14.159 6.346 -25.181 1.00 72.14 H new ATOM 0 HB3 LEU A 18 14.123 8.065 -25.521 1.00 72.14 H new ATOM 0 HG LEU A 18 14.531 6.659 -22.977 1.00 21.13 H new ATOM 0 HD11 LEU A 18 15.538 8.900 -22.400 1.00 32.22 H new ATOM 0 HD12 LEU A 18 16.084 8.343 -24.000 1.00 32.22 H new ATOM 0 HD13 LEU A 18 14.815 9.584 -23.875 1.00 32.22 H new ATOM 0 HD21 LEU A 18 13.347 8.291 -21.537 1.00 14.45 H new ATOM 0 HD22 LEU A 18 12.602 9.017 -22.982 1.00 14.45 H new ATOM 0 HD23 LEU A 18 12.209 7.342 -22.524 1.00 14.45 H new ATOM 273 N LYS A 19 11.602 8.121 -27.193 1.00 43.43 N ATOM 274 CA LYS A 19 11.101 9.204 -28.083 1.00 11.23 C ATOM 275 C LYS A 19 9.715 9.615 -27.599 1.00 30.24 C ATOM 276 O LYS A 19 9.429 10.784 -27.404 1.00 1.02 O ATOM 277 CB LYS A 19 11.027 8.581 -29.478 1.00 35.11 C ATOM 278 CG LYS A 19 12.439 8.289 -29.987 1.00 41.13 C ATOM 279 CD LYS A 19 12.462 8.391 -31.514 1.00 72.42 C ATOM 280 CE LYS A 19 12.370 6.989 -32.125 1.00 73.44 C ATOM 281 NZ LYS A 19 13.781 6.571 -32.375 1.00 22.14 N ATOM 0 H LYS A 19 11.848 7.245 -27.654 1.00 43.43 H new ATOM 0 HA LYS A 19 11.737 10.090 -28.086 1.00 11.23 H new ATOM 0 HB2 LYS A 19 10.444 7.661 -29.445 1.00 35.11 H new ATOM 0 HB3 LYS A 19 10.516 9.258 -30.163 1.00 35.11 H new ATOM 0 HG2 LYS A 19 13.147 8.996 -29.554 1.00 41.13 H new ATOM 0 HG3 LYS A 19 12.751 7.293 -29.674 1.00 41.13 H new ATOM 0 HD2 LYS A 19 11.630 9.005 -31.860 1.00 72.42 H new ATOM 0 HD3 LYS A 19 13.378 8.882 -31.842 1.00 72.42 H new ATOM 0 HE2 LYS A 19 11.870 6.297 -31.447 1.00 73.44 H new ATOM 0 HE3 LYS A 19 11.794 7.001 -33.050 1.00 73.44 H new ATOM 0 HZ1 LYS A 19 13.792 5.619 -32.793 1.00 22.14 H new ATOM 0 HZ2 LYS A 19 14.231 7.242 -33.030 1.00 22.14 H new ATOM 0 HZ3 LYS A 19 14.304 6.560 -31.476 1.00 22.14 H new ATOM 295 N THR A 20 8.869 8.658 -27.340 1.00 42.15 N ATOM 296 CA THR A 20 7.529 8.997 -26.806 1.00 20.14 C ATOM 297 C THR A 20 7.707 9.528 -25.412 1.00 60.44 C ATOM 298 O THR A 20 7.206 10.572 -25.048 1.00 33.33 O ATOM 299 CB THR A 20 6.758 7.682 -26.701 1.00 4.41 C ATOM 300 OG1 THR A 20 6.303 7.291 -27.986 1.00 45.03 O ATOM 301 CG2 THR A 20 5.571 7.854 -25.741 1.00 53.41 C ATOM 0 H THR A 20 9.049 7.663 -27.475 1.00 42.15 H new ATOM 0 HA THR A 20 7.017 9.725 -27.435 1.00 20.14 H new ATOM 0 HB THR A 20 7.415 6.905 -26.311 1.00 4.41 H new ATOM 0 HG1 THR A 20 5.334 7.144 -27.959 1.00 45.03 H new ATOM 0 HG21 THR A 20 5.023 6.915 -25.668 1.00 53.41 H new ATOM 0 HG22 THR A 20 5.939 8.137 -24.755 1.00 53.41 H new ATOM 0 HG23 THR A 20 4.908 8.633 -26.118 1.00 53.41 H new ATOM 309 N ILE A 21 8.375 8.764 -24.606 1.00 42.41 N ATOM 310 CA ILE A 21 8.532 9.166 -23.220 1.00 74.52 C ATOM 311 C ILE A 21 9.006 10.595 -23.110 1.00 42.12 C ATOM 312 O ILE A 21 8.332 11.401 -22.510 1.00 70.34 O ATOM 313 CB ILE A 21 9.552 8.240 -22.672 1.00 41.45 C ATOM 314 CG1 ILE A 21 8.946 6.848 -22.600 1.00 14.34 C ATOM 315 CG2 ILE A 21 9.942 8.728 -21.282 1.00 65.15 C ATOM 316 CD1 ILE A 21 10.024 5.889 -22.158 1.00 23.11 C ATOM 0 H ILE A 21 8.814 7.880 -24.861 1.00 42.41 H new ATOM 0 HA ILE A 21 7.587 9.118 -22.678 1.00 74.52 H new ATOM 0 HB ILE A 21 10.440 8.209 -23.303 1.00 41.45 H new ATOM 0 HG12 ILE A 21 8.112 6.832 -21.899 1.00 14.34 H new ATOM 0 HG13 ILE A 21 8.551 6.554 -23.572 1.00 14.34 H new ATOM 0 HG21 ILE A 21 10.693 8.060 -20.859 1.00 65.15 H new ATOM 0 HG22 ILE A 21 10.351 9.736 -21.352 1.00 65.15 H new ATOM 0 HG23 ILE A 21 9.062 8.737 -20.639 1.00 65.15 H new ATOM 0 HD11 ILE A 21 9.613 4.881 -22.099 1.00 23.11 H new ATOM 0 HD12 ILE A 21 10.843 5.905 -22.878 1.00 23.11 H new ATOM 0 HD13 ILE A 21 10.397 6.187 -21.178 1.00 23.11 H new ATOM 328 N LYS A 22 10.140 10.966 -23.654 1.00 65.53 N ATOM 329 CA LYS A 22 10.478 12.378 -23.462 1.00 71.23 C ATOM 330 C LYS A 22 9.461 13.211 -24.172 1.00 43.45 C ATOM 331 O LYS A 22 9.047 14.217 -23.669 1.00 44.44 O ATOM 332 CB LYS A 22 11.853 12.730 -23.979 1.00 34.04 C ATOM 333 CG LYS A 22 12.080 14.132 -23.402 1.00 73.11 C ATOM 334 CD LYS A 22 13.207 14.252 -22.398 1.00 70.53 C ATOM 335 CE LYS A 22 14.551 13.978 -23.034 1.00 44.24 C ATOM 336 NZ LYS A 22 14.520 14.686 -24.345 1.00 31.30 N ATOM 0 H LYS A 22 10.794 10.389 -24.183 1.00 65.53 H new ATOM 0 HA LYS A 22 10.479 12.574 -22.390 1.00 71.23 H new ATOM 0 HB2 LYS A 22 12.608 12.023 -23.635 1.00 34.04 H new ATOM 0 HB3 LYS A 22 11.889 12.730 -25.068 1.00 34.04 H new ATOM 0 HG2 LYS A 22 12.278 14.817 -24.227 1.00 73.11 H new ATOM 0 HG3 LYS A 22 11.157 14.463 -22.926 1.00 73.11 H new ATOM 0 HD2 LYS A 22 13.205 15.253 -21.966 1.00 70.53 H new ATOM 0 HD3 LYS A 22 13.042 13.552 -21.579 1.00 70.53 H new ATOM 0 HE2 LYS A 22 15.364 14.346 -22.408 1.00 44.24 H new ATOM 0 HE3 LYS A 22 14.711 12.908 -23.169 1.00 44.24 H new ATOM 0 HZ1 LYS A 22 15.493 14.847 -24.676 1.00 31.30 H new ATOM 0 HZ2 LYS A 22 14.010 14.106 -25.041 1.00 31.30 H new ATOM 0 HZ3 LYS A 22 14.036 15.600 -24.235 1.00 31.30 H new ATOM 350 N THR A 23 8.987 12.807 -25.314 1.00 72.34 N ATOM 351 CA THR A 23 7.940 13.637 -25.927 1.00 42.42 C ATOM 352 C THR A 23 6.925 13.870 -24.823 1.00 33.14 C ATOM 353 O THR A 23 6.461 14.963 -24.618 1.00 32.33 O ATOM 354 CB THR A 23 7.332 12.806 -27.048 1.00 51.51 C ATOM 355 OG1 THR A 23 7.853 13.234 -28.299 1.00 73.43 O ATOM 356 CG2 THR A 23 5.826 13.011 -27.013 1.00 55.22 C ATOM 0 H THR A 23 9.269 11.972 -25.827 1.00 72.34 H new ATOM 0 HA THR A 23 8.293 14.586 -26.331 1.00 42.42 H new ATOM 0 HB THR A 23 7.573 11.751 -26.918 1.00 51.51 H new ATOM 0 HG1 THR A 23 8.566 12.624 -28.582 1.00 73.43 H new ATOM 0 HG21 THR A 23 5.361 12.427 -27.807 1.00 55.22 H new ATOM 0 HG22 THR A 23 5.437 12.687 -26.048 1.00 55.22 H new ATOM 0 HG23 THR A 23 5.599 14.067 -27.159 1.00 55.22 H new ATOM 364 N ALA A 24 6.643 12.811 -24.097 1.00 42.44 N ATOM 365 CA ALA A 24 5.702 12.876 -22.953 1.00 10.54 C ATOM 366 C ALA A 24 6.289 13.702 -21.819 1.00 61.13 C ATOM 367 O ALA A 24 5.723 14.680 -21.407 1.00 71.13 O ATOM 368 CB ALA A 24 5.601 11.442 -22.475 1.00 3.22 C ATOM 0 H ALA A 24 7.041 11.886 -24.262 1.00 42.44 H new ATOM 0 HA ALA A 24 4.750 13.322 -23.242 1.00 10.54 H new ATOM 0 HB1 ALA A 24 4.922 11.389 -21.624 1.00 3.22 H new ATOM 0 HB2 ALA A 24 5.222 10.815 -23.282 1.00 3.22 H new ATOM 0 HB3 ALA A 24 6.587 11.088 -22.174 1.00 3.22 H new ATOM 374 N TYR A 25 7.424 13.282 -21.309 1.00 45.24 N ATOM 375 CA TYR A 25 8.068 13.996 -20.169 1.00 53.34 C ATOM 376 C TYR A 25 8.566 15.364 -20.566 1.00 11.20 C ATOM 377 O TYR A 25 8.700 16.235 -19.754 1.00 23.24 O ATOM 378 CB TYR A 25 9.262 13.120 -19.752 1.00 4.23 C ATOM 379 CG TYR A 25 10.399 13.985 -19.242 1.00 52.32 C ATOM 380 CD1 TYR A 25 11.229 14.654 -20.142 1.00 62.54 C ATOM 381 CD2 TYR A 25 10.598 14.129 -17.871 1.00 12.35 C ATOM 382 CE1 TYR A 25 12.267 15.468 -19.657 1.00 63.25 C ATOM 383 CE2 TYR A 25 11.626 14.939 -17.383 1.00 51.41 C ATOM 384 CZ TYR A 25 12.464 15.609 -18.277 1.00 72.13 C ATOM 385 OH TYR A 25 13.482 16.411 -17.802 1.00 0.41 O ATOM 0 H TYR A 25 7.934 12.464 -21.642 1.00 45.24 H new ATOM 0 HA TYR A 25 7.350 14.147 -19.363 1.00 53.34 H new ATOM 0 HB2 TYR A 25 8.954 12.419 -18.976 1.00 4.23 H new ATOM 0 HB3 TYR A 25 9.600 12.527 -20.602 1.00 4.23 H new ATOM 0 HD1 TYR A 25 11.075 14.547 -21.206 1.00 62.54 H new ATOM 0 HD2 TYR A 25 9.952 13.610 -17.179 1.00 12.35 H new ATOM 0 HE1 TYR A 25 12.914 15.986 -20.349 1.00 63.25 H new ATOM 0 HE2 TYR A 25 11.772 15.047 -16.318 1.00 51.41 H new ATOM 0 HH TYR A 25 13.478 16.398 -16.822 1.00 0.41 H new ATOM 395 N ARG A 26 8.868 15.554 -21.783 1.00 70.31 N ATOM 396 CA ARG A 26 9.382 16.881 -22.179 1.00 42.24 C ATOM 397 C ARG A 26 8.205 17.798 -22.310 1.00 41.42 C ATOM 398 O ARG A 26 8.181 18.875 -21.766 1.00 43.42 O ATOM 399 CB ARG A 26 10.103 16.680 -23.494 1.00 71.21 C ATOM 400 CG ARG A 26 11.364 17.537 -23.508 1.00 71.21 C ATOM 401 CD ARG A 26 11.357 18.439 -24.744 1.00 50.52 C ATOM 402 NE ARG A 26 11.011 19.793 -24.229 1.00 12.44 N ATOM 403 CZ ARG A 26 10.848 20.787 -25.058 1.00 53.21 C ATOM 404 NH1 ARG A 26 10.372 20.569 -26.254 1.00 53.33 N ATOM 405 NH2 ARG A 26 11.161 21.999 -24.692 1.00 54.11 N ATOM 0 H ARG A 26 8.788 14.864 -22.530 1.00 70.31 H new ATOM 0 HA ARG A 26 10.071 17.320 -21.457 1.00 42.24 H new ATOM 0 HB2 ARG A 26 10.361 15.629 -23.624 1.00 71.21 H new ATOM 0 HB3 ARG A 26 9.453 16.954 -24.325 1.00 71.21 H new ATOM 0 HG2 ARG A 26 11.414 18.143 -22.603 1.00 71.21 H new ATOM 0 HG3 ARG A 26 12.249 16.900 -23.515 1.00 71.21 H new ATOM 0 HD2 ARG A 26 12.329 18.441 -25.237 1.00 50.52 H new ATOM 0 HD3 ARG A 26 10.627 18.097 -25.478 1.00 50.52 H new ATOM 0 HE ARG A 26 10.901 19.943 -23.226 1.00 12.44 H new ATOM 0 HH11 ARG A 26 10.127 19.621 -26.541 1.00 53.33 H new ATOM 0 HH12 ARG A 26 10.245 21.347 -26.902 1.00 53.33 H new ATOM 0 HH21 ARG A 26 11.533 22.170 -23.758 1.00 54.11 H new ATOM 0 HH22 ARG A 26 11.034 22.776 -25.340 1.00 54.11 H new ATOM 419 N ARG A 27 7.187 17.336 -22.958 1.00 53.53 N ATOM 420 CA ARG A 27 5.974 18.163 -23.041 1.00 73.23 C ATOM 421 C ARG A 27 5.466 18.238 -21.618 1.00 21.31 C ATOM 422 O ARG A 27 5.065 19.278 -21.144 1.00 60.21 O ATOM 423 CB ARG A 27 4.997 17.432 -23.979 1.00 74.41 C ATOM 424 CG ARG A 27 4.563 16.087 -23.389 1.00 61.14 C ATOM 425 CD ARG A 27 3.598 15.401 -24.347 1.00 35.33 C ATOM 426 NE ARG A 27 2.276 16.038 -24.095 1.00 3.23 N ATOM 427 CZ ARG A 27 1.302 15.880 -24.949 1.00 64.41 C ATOM 428 NH1 ARG A 27 0.810 14.691 -25.166 1.00 1.53 N ATOM 429 NH2 ARG A 27 0.818 16.912 -25.586 1.00 64.40 N ATOM 0 H ARG A 27 7.143 16.432 -23.428 1.00 53.53 H new ATOM 0 HA ARG A 27 6.122 19.168 -23.435 1.00 73.23 H new ATOM 0 HB2 ARG A 27 4.120 18.056 -24.152 1.00 74.41 H new ATOM 0 HB3 ARG A 27 5.470 17.271 -24.948 1.00 74.41 H new ATOM 0 HG2 ARG A 27 5.434 15.454 -23.218 1.00 61.14 H new ATOM 0 HG3 ARG A 27 4.085 16.239 -22.421 1.00 61.14 H new ATOM 0 HD2 ARG A 27 3.909 15.537 -25.383 1.00 35.33 H new ATOM 0 HD3 ARG A 27 3.559 14.327 -24.164 1.00 35.33 H new ATOM 0 HE ARG A 27 2.132 16.598 -23.255 1.00 3.23 H new ATOM 0 HH11 ARG A 27 1.187 13.884 -24.668 1.00 1.53 H new ATOM 0 HH12 ARG A 27 0.049 14.568 -25.834 1.00 1.53 H new ATOM 0 HH21 ARG A 27 1.201 17.842 -25.416 1.00 64.40 H new ATOM 0 HH22 ARG A 27 0.057 16.788 -26.253 1.00 64.40 H new ATOM 443 N LEU A 28 5.566 17.124 -20.926 1.00 51.43 N ATOM 444 CA LEU A 28 5.165 17.056 -19.492 1.00 24.04 C ATOM 445 C LEU A 28 6.034 17.938 -18.659 1.00 42.10 C ATOM 446 O LEU A 28 5.645 18.973 -18.214 1.00 52.34 O ATOM 447 CB LEU A 28 5.431 15.643 -19.053 1.00 42.44 C ATOM 448 CG LEU A 28 4.116 14.924 -18.999 1.00 63.12 C ATOM 449 CD1 LEU A 28 3.260 15.557 -17.940 1.00 64.03 C ATOM 450 CD2 LEU A 28 3.402 15.049 -20.308 1.00 50.01 C ATOM 0 H LEU A 28 5.916 16.245 -21.308 1.00 51.43 H new ATOM 0 HA LEU A 28 4.125 17.363 -19.379 1.00 24.04 H new ATOM 0 HB2 LEU A 28 6.109 15.148 -19.749 1.00 42.44 H new ATOM 0 HB3 LEU A 28 5.913 15.631 -18.076 1.00 42.44 H new ATOM 0 HG LEU A 28 4.298 13.872 -18.779 1.00 63.12 H new ATOM 0 HD11 LEU A 28 2.301 15.042 -17.892 1.00 64.03 H new ATOM 0 HD12 LEU A 28 3.761 15.482 -16.975 1.00 64.03 H new ATOM 0 HD13 LEU A 28 3.096 16.607 -18.184 1.00 64.03 H new ATOM 0 HD21 LEU A 28 2.449 14.522 -20.254 1.00 50.01 H new ATOM 0 HD22 LEU A 28 3.223 16.102 -20.526 1.00 50.01 H new ATOM 0 HD23 LEU A 28 4.013 14.614 -21.099 1.00 50.01 H new ATOM 462 N ALA A 29 7.229 17.511 -18.447 1.00 41.40 N ATOM 463 CA ALA A 29 8.147 18.299 -17.624 1.00 10.24 C ATOM 464 C ALA A 29 8.069 19.753 -18.063 1.00 3.11 C ATOM 465 O ALA A 29 8.309 20.666 -17.304 1.00 74.22 O ATOM 466 CB ALA A 29 9.499 17.738 -17.958 1.00 61.51 C ATOM 0 H ALA A 29 7.611 16.639 -18.814 1.00 41.40 H new ATOM 0 HA ALA A 29 7.927 18.255 -16.557 1.00 10.24 H new ATOM 0 HB1 ALA A 29 10.263 18.266 -17.388 1.00 61.51 H new ATOM 0 HB2 ALA A 29 9.526 16.678 -17.705 1.00 61.51 H new ATOM 0 HB3 ALA A 29 9.691 17.862 -19.024 1.00 61.51 H new ATOM 472 N ARG A 30 7.706 19.969 -19.294 1.00 23.24 N ATOM 473 CA ARG A 30 7.571 21.350 -19.785 1.00 41.30 C ATOM 474 C ARG A 30 6.277 21.922 -19.222 1.00 61.33 C ATOM 475 O ARG A 30 6.210 23.058 -18.795 1.00 73.12 O ATOM 476 CB ARG A 30 7.482 21.208 -21.293 1.00 4.30 C ATOM 477 CG ARG A 30 7.007 22.518 -21.916 1.00 44.12 C ATOM 478 CD ARG A 30 6.567 22.265 -23.361 1.00 64.33 C ATOM 479 NE ARG A 30 6.945 23.500 -24.104 1.00 31.33 N ATOM 480 CZ ARG A 30 6.071 24.097 -24.869 1.00 52.35 C ATOM 481 NH1 ARG A 30 5.774 23.593 -26.034 1.00 44.51 N ATOM 482 NH2 ARG A 30 5.496 25.198 -24.471 1.00 51.13 N ATOM 0 H ARG A 30 7.498 19.241 -19.978 1.00 23.24 H new ATOM 0 HA ARG A 30 8.390 22.008 -19.494 1.00 41.30 H new ATOM 0 HB2 ARG A 30 8.456 20.936 -21.699 1.00 4.30 H new ATOM 0 HB3 ARG A 30 6.793 20.403 -21.550 1.00 4.30 H new ATOM 0 HG2 ARG A 30 6.179 22.928 -21.339 1.00 44.12 H new ATOM 0 HG3 ARG A 30 7.809 23.256 -21.892 1.00 44.12 H new ATOM 0 HD2 ARG A 30 7.063 21.388 -23.776 1.00 64.33 H new ATOM 0 HD3 ARG A 30 5.494 22.082 -23.420 1.00 64.33 H new ATOM 0 HE ARG A 30 7.888 23.880 -24.015 1.00 31.33 H new ATOM 0 HH11 ARG A 30 6.224 22.733 -26.347 1.00 44.51 H new ATOM 0 HH12 ARG A 30 5.091 24.059 -26.632 1.00 44.51 H new ATOM 0 HH21 ARG A 30 5.729 25.595 -23.560 1.00 51.13 H new ATOM 0 HH22 ARG A 30 4.814 25.662 -25.070 1.00 51.13 H new ATOM 496 N LYS A 31 5.255 21.108 -19.180 1.00 21.04 N ATOM 497 CA LYS A 31 3.966 21.549 -18.605 1.00 50.22 C ATOM 498 C LYS A 31 3.964 21.172 -17.126 1.00 73.24 C ATOM 499 O LYS A 31 3.029 21.445 -16.400 1.00 52.22 O ATOM 500 CB LYS A 31 2.906 20.733 -19.372 1.00 12.42 C ATOM 501 CG LYS A 31 3.140 19.224 -19.148 1.00 62.14 C ATOM 502 CD LYS A 31 1.836 18.427 -19.122 1.00 54.52 C ATOM 503 CE LYS A 31 1.356 18.167 -20.551 1.00 25.34 C ATOM 504 NZ LYS A 31 0.672 19.422 -20.980 1.00 21.03 N ATOM 0 H LYS A 31 5.266 20.148 -19.525 1.00 21.04 H new ATOM 0 HA LYS A 31 3.784 22.620 -18.688 1.00 50.22 H new ATOM 0 HB2 LYS A 31 1.907 21.009 -19.034 1.00 12.42 H new ATOM 0 HB3 LYS A 31 2.957 20.964 -20.436 1.00 12.42 H new ATOM 0 HG2 LYS A 31 3.782 18.838 -19.939 1.00 62.14 H new ATOM 0 HG3 LYS A 31 3.670 19.078 -18.207 1.00 62.14 H new ATOM 0 HD2 LYS A 31 1.988 17.481 -18.602 1.00 54.52 H new ATOM 0 HD3 LYS A 31 1.075 18.976 -18.568 1.00 54.52 H new ATOM 0 HE2 LYS A 31 2.193 17.932 -21.209 1.00 25.34 H new ATOM 0 HE3 LYS A 31 0.674 17.317 -20.587 1.00 25.34 H new ATOM 0 HZ1 LYS A 31 -0.143 19.185 -21.581 1.00 21.03 H new ATOM 0 HZ2 LYS A 31 0.344 19.943 -20.142 1.00 21.03 H new ATOM 0 HZ3 LYS A 31 1.337 20.014 -21.517 1.00 21.03 H new ATOM 518 N TYR A 32 4.995 20.480 -16.697 1.00 10.10 N ATOM 519 CA TYR A 32 5.063 19.994 -15.300 1.00 35.32 C ATOM 520 C TYR A 32 6.217 20.611 -14.520 1.00 2.54 C ATOM 521 O TYR A 32 6.128 20.733 -13.314 1.00 2.43 O ATOM 522 CB TYR A 32 5.308 18.498 -15.438 1.00 53.44 C ATOM 523 CG TYR A 32 4.011 17.766 -15.575 1.00 3.11 C ATOM 524 CD1 TYR A 32 2.917 18.367 -16.189 1.00 41.35 C ATOM 525 CD2 TYR A 32 3.924 16.469 -15.101 1.00 23.42 C ATOM 526 CE1 TYR A 32 1.719 17.667 -16.332 1.00 52.32 C ATOM 527 CE2 TYR A 32 2.726 15.757 -15.236 1.00 43.15 C ATOM 528 CZ TYR A 32 1.620 16.356 -15.855 1.00 12.30 C ATOM 529 OH TYR A 32 0.438 15.657 -15.991 1.00 65.33 O ATOM 0 H TYR A 32 5.800 20.233 -17.273 1.00 10.10 H new ATOM 0 HA TYR A 32 4.155 20.254 -14.756 1.00 35.32 H new ATOM 0 HB2 TYR A 32 5.935 18.305 -16.308 1.00 53.44 H new ATOM 0 HB3 TYR A 32 5.850 18.130 -14.567 1.00 53.44 H new ATOM 0 HD1 TYR A 32 2.996 19.380 -16.556 1.00 41.35 H new ATOM 0 HD2 TYR A 32 4.778 16.007 -14.628 1.00 23.42 H new ATOM 0 HE1 TYR A 32 0.871 18.136 -16.809 1.00 52.32 H new ATOM 0 HE2 TYR A 32 2.654 14.746 -14.863 1.00 43.15 H new ATOM 0 HH TYR A 32 -0.286 16.279 -16.214 1.00 65.33 H new ATOM 539 N HIS A 33 7.311 20.993 -15.149 1.00 44.12 N ATOM 540 CA HIS A 33 8.404 21.571 -14.324 1.00 20.15 C ATOM 541 C HIS A 33 7.764 22.617 -13.432 1.00 72.14 C ATOM 542 O HIS A 33 7.208 23.575 -13.905 1.00 75.52 O ATOM 543 CB HIS A 33 9.455 22.182 -15.245 1.00 61.34 C ATOM 544 CG HIS A 33 10.620 22.481 -14.360 1.00 33.32 C ATOM 545 ND1 HIS A 33 10.635 23.609 -13.573 1.00 64.00 N ATOM 546 CD2 HIS A 33 11.707 21.738 -13.980 1.00 32.24 C ATOM 547 CE1 HIS A 33 11.677 23.509 -12.737 1.00 54.14 C ATOM 548 NE2 HIS A 33 12.376 22.389 -12.947 1.00 41.55 N ATOM 0 H HIS A 33 7.482 20.931 -16.153 1.00 44.12 H new ATOM 0 HA HIS A 33 8.905 20.820 -13.713 1.00 20.15 H new ATOM 0 HB2 HIS A 33 9.732 21.491 -16.041 1.00 61.34 H new ATOM 0 HB3 HIS A 33 9.081 23.087 -15.724 1.00 61.34 H new ATOM 0 HD2 HIS A 33 11.999 20.794 -14.415 1.00 32.24 H new ATOM 0 HE1 HIS A 33 11.923 24.244 -11.985 1.00 54.14 H new ATOM 0 HE2 HIS A 33 13.216 22.079 -12.458 1.00 41.55 H new ATOM 556 N PRO A 34 7.774 22.340 -12.173 1.00 11.33 N ATOM 557 CA PRO A 34 7.056 23.194 -11.213 1.00 12.45 C ATOM 558 C PRO A 34 7.394 24.677 -11.338 1.00 0.21 C ATOM 559 O PRO A 34 6.591 25.528 -11.008 1.00 2.14 O ATOM 560 CB PRO A 34 7.385 22.577 -9.873 1.00 2.51 C ATOM 561 CG PRO A 34 8.632 21.795 -10.111 1.00 0.22 C ATOM 562 CD PRO A 34 8.494 21.259 -11.507 1.00 21.41 C ATOM 0 HA PRO A 34 5.981 23.213 -11.390 1.00 12.45 H new ATOM 0 HB2 PRO A 34 7.537 23.342 -9.112 1.00 2.51 H new ATOM 0 HB3 PRO A 34 6.576 21.935 -9.523 1.00 2.51 H new ATOM 0 HG2 PRO A 34 9.517 22.424 -10.016 1.00 0.22 H new ATOM 0 HG3 PRO A 34 8.736 20.987 -9.387 1.00 0.22 H new ATOM 0 HD2 PRO A 34 9.463 21.068 -11.969 1.00 21.41 H new ATOM 0 HD3 PRO A 34 7.938 20.322 -11.532 1.00 21.41 H new ATOM 570 N ASP A 35 8.521 25.003 -11.874 1.00 22.13 N ATOM 571 CA ASP A 35 8.834 26.444 -12.088 1.00 13.33 C ATOM 572 C ASP A 35 7.871 26.955 -13.146 1.00 45.34 C ATOM 573 O ASP A 35 7.627 28.137 -13.292 1.00 31.24 O ATOM 574 CB ASP A 35 10.233 26.468 -12.683 1.00 24.21 C ATOM 575 CG ASP A 35 10.960 27.742 -12.245 1.00 72.14 C ATOM 576 OD1 ASP A 35 10.796 28.752 -12.909 1.00 71.21 O ATOM 577 OD2 ASP A 35 11.665 27.686 -11.251 1.00 45.51 O ATOM 0 H ASP A 35 9.241 24.346 -12.175 1.00 22.13 H new ATOM 0 HA ASP A 35 8.760 27.038 -11.177 1.00 13.33 H new ATOM 0 HB2 ASP A 35 10.791 25.590 -12.359 1.00 24.21 H new ATOM 0 HB3 ASP A 35 10.176 26.426 -13.771 1.00 24.21 H new ATOM 582 N VAL A 36 7.349 26.033 -13.899 1.00 24.13 N ATOM 583 CA VAL A 36 6.419 26.350 -14.994 1.00 62.22 C ATOM 584 C VAL A 36 5.655 25.065 -15.248 1.00 34.24 C ATOM 585 O VAL A 36 6.157 24.117 -15.817 1.00 24.44 O ATOM 586 CB VAL A 36 7.362 26.684 -16.178 1.00 54.43 C ATOM 587 CG1 VAL A 36 8.821 26.449 -15.760 1.00 62.21 C ATOM 588 CG2 VAL A 36 7.082 25.763 -17.361 1.00 21.41 C ATOM 0 H VAL A 36 7.541 25.037 -13.790 1.00 24.13 H new ATOM 0 HA VAL A 36 5.714 27.161 -14.815 1.00 62.22 H new ATOM 0 HB VAL A 36 7.193 27.724 -16.457 1.00 54.43 H new ATOM 0 HG11 VAL A 36 9.481 26.685 -16.595 1.00 62.21 H new ATOM 0 HG12 VAL A 36 9.064 27.090 -14.913 1.00 62.21 H new ATOM 0 HG13 VAL A 36 8.954 25.405 -15.476 1.00 62.21 H new ATOM 0 HG21 VAL A 36 7.753 26.012 -18.183 1.00 21.41 H new ATOM 0 HG22 VAL A 36 7.243 24.727 -17.062 1.00 21.41 H new ATOM 0 HG23 VAL A 36 6.049 25.891 -17.685 1.00 21.41 H new ATOM 598 N SER A 37 4.482 24.989 -14.797 1.00 10.54 N ATOM 599 CA SER A 37 3.759 23.731 -14.990 1.00 32.04 C ATOM 600 C SER A 37 2.258 23.907 -14.910 1.00 75.31 C ATOM 601 O SER A 37 1.766 24.661 -14.094 1.00 45.13 O ATOM 602 CB SER A 37 4.300 22.891 -13.874 1.00 23.33 C ATOM 603 OG SER A 37 3.477 23.041 -12.726 1.00 1.25 O ATOM 0 H SER A 37 3.980 25.728 -14.304 1.00 10.54 H new ATOM 0 HA SER A 37 3.904 23.291 -15.977 1.00 32.04 H new ATOM 0 HB2 SER A 37 4.334 21.844 -14.176 1.00 23.33 H new ATOM 0 HB3 SER A 37 5.323 23.189 -13.643 1.00 23.33 H new ATOM 0 HG SER A 37 3.896 23.671 -12.103 1.00 1.25 H new ATOM 609 N LYS A 38 1.505 23.203 -15.699 1.00 10.15 N ATOM 610 CA LYS A 38 0.046 23.364 -15.554 1.00 33.33 C ATOM 611 C LYS A 38 -0.605 22.048 -15.135 1.00 65.23 C ATOM 612 O LYS A 38 -1.394 21.461 -15.848 1.00 55.21 O ATOM 613 CB LYS A 38 -0.452 23.824 -16.923 1.00 2.24 C ATOM 614 CG LYS A 38 -0.781 25.317 -16.876 1.00 73.42 C ATOM 615 CD LYS A 38 -2.257 25.521 -17.218 1.00 32.42 C ATOM 616 CE LYS A 38 -2.606 27.008 -17.123 1.00 22.35 C ATOM 617 NZ LYS A 38 -3.438 27.126 -15.893 1.00 35.12 N ATOM 0 H LYS A 38 1.824 22.547 -16.412 1.00 10.15 H new ATOM 0 HA LYS A 38 -0.209 24.086 -14.778 1.00 33.33 H new ATOM 0 HB2 LYS A 38 0.308 23.633 -17.680 1.00 2.24 H new ATOM 0 HB3 LYS A 38 -1.337 23.255 -17.209 1.00 2.24 H new ATOM 0 HG2 LYS A 38 -0.567 25.717 -15.885 1.00 73.42 H new ATOM 0 HG3 LYS A 38 -0.154 25.862 -17.582 1.00 73.42 H new ATOM 0 HD2 LYS A 38 -2.462 25.153 -18.223 1.00 32.42 H new ATOM 0 HD3 LYS A 38 -2.882 24.946 -16.534 1.00 32.42 H new ATOM 0 HE2 LYS A 38 -1.708 27.621 -17.053 1.00 22.35 H new ATOM 0 HE3 LYS A 38 -3.153 27.343 -18.004 1.00 22.35 H new ATOM 0 HZ1 LYS A 38 -3.718 28.118 -15.757 1.00 35.12 H new ATOM 0 HZ2 LYS A 38 -4.289 26.536 -15.992 1.00 35.12 H new ATOM 0 HZ3 LYS A 38 -2.888 26.806 -15.070 1.00 35.12 H new ATOM 631 N GLU A 39 -0.299 21.625 -13.945 1.00 0.31 N ATOM 632 CA GLU A 39 -0.893 20.395 -13.378 1.00 24.44 C ATOM 633 C GLU A 39 -1.215 20.693 -11.911 1.00 44.11 C ATOM 634 O GLU A 39 -0.552 21.508 -11.300 1.00 43.53 O ATOM 635 CB GLU A 39 0.203 19.339 -13.533 1.00 32.11 C ATOM 636 CG GLU A 39 -0.226 18.017 -12.910 1.00 24.41 C ATOM 637 CD GLU A 39 -0.999 17.193 -13.944 1.00 22.30 C ATOM 638 OE1 GLU A 39 -1.290 17.731 -14.999 1.00 64.13 O ATOM 639 OE2 GLU A 39 -1.289 16.043 -13.662 1.00 24.41 O ATOM 0 H GLU A 39 0.359 22.098 -13.326 1.00 0.31 H new ATOM 0 HA GLU A 39 -1.811 20.055 -13.857 1.00 24.44 H new ATOM 0 HB2 GLU A 39 0.426 19.192 -14.590 1.00 32.11 H new ATOM 0 HB3 GLU A 39 1.120 19.689 -13.059 1.00 32.11 H new ATOM 0 HG2 GLU A 39 0.648 17.463 -12.568 1.00 24.41 H new ATOM 0 HG3 GLU A 39 -0.850 18.200 -12.035 1.00 24.41 H new ATOM 646 N PRO A 40 -2.203 20.043 -11.380 1.00 34.33 N ATOM 647 CA PRO A 40 -2.573 20.278 -9.959 1.00 22.32 C ATOM 648 C PRO A 40 -1.394 19.950 -9.042 1.00 13.44 C ATOM 649 O PRO A 40 -1.335 20.375 -7.905 1.00 0.43 O ATOM 650 CB PRO A 40 -3.752 19.332 -9.746 1.00 61.14 C ATOM 651 CG PRO A 40 -3.596 18.297 -10.810 1.00 53.20 C ATOM 652 CD PRO A 40 -3.057 19.037 -12.005 1.00 12.21 C ATOM 0 HA PRO A 40 -2.831 21.313 -9.733 1.00 22.32 H new ATOM 0 HB2 PRO A 40 -3.729 18.886 -8.752 1.00 61.14 H new ATOM 0 HB3 PRO A 40 -4.703 19.856 -9.838 1.00 61.14 H new ATOM 0 HG2 PRO A 40 -2.913 17.508 -10.495 1.00 53.20 H new ATOM 0 HG3 PRO A 40 -4.549 17.821 -11.039 1.00 53.20 H new ATOM 0 HD2 PRO A 40 -2.495 18.382 -12.671 1.00 12.21 H new ATOM 0 HD3 PRO A 40 -3.852 19.489 -12.598 1.00 12.21 H new ATOM 660 N ASP A 41 -0.453 19.208 -9.542 1.00 4.30 N ATOM 661 CA ASP A 41 0.746 18.847 -8.731 1.00 50.10 C ATOM 662 C ASP A 41 1.968 18.674 -9.642 1.00 44.44 C ATOM 663 O ASP A 41 2.840 17.875 -9.380 1.00 11.45 O ATOM 664 CB ASP A 41 0.386 17.522 -8.061 1.00 10.02 C ATOM 665 CG ASP A 41 0.040 17.770 -6.593 1.00 3.11 C ATOM 666 OD1 ASP A 41 0.801 18.460 -5.934 1.00 31.41 O ATOM 667 OD2 ASP A 41 -0.980 17.267 -6.152 1.00 2.02 O ATOM 0 H ASP A 41 -0.459 18.829 -10.489 1.00 4.30 H new ATOM 0 HA ASP A 41 0.999 19.617 -8.002 1.00 50.10 H new ATOM 0 HB2 ASP A 41 -0.460 17.062 -8.572 1.00 10.02 H new ATOM 0 HB3 ASP A 41 1.221 16.826 -8.136 1.00 10.02 H new ATOM 672 N ALA A 42 2.030 19.418 -10.712 1.00 1.42 N ATOM 673 CA ALA A 42 3.188 19.298 -11.651 1.00 55.20 C ATOM 674 C ALA A 42 4.497 19.215 -10.869 1.00 24.34 C ATOM 675 O ALA A 42 5.395 18.505 -11.244 1.00 24.31 O ATOM 676 CB ALA A 42 3.163 20.552 -12.519 1.00 35.32 C ATOM 0 H ALA A 42 1.327 20.107 -10.980 1.00 1.42 H new ATOM 0 HA ALA A 42 3.117 18.396 -12.258 1.00 55.20 H new ATOM 0 HB1 ALA A 42 3.990 20.520 -13.228 1.00 35.32 H new ATOM 0 HB2 ALA A 42 2.220 20.599 -13.064 1.00 35.32 H new ATOM 0 HB3 ALA A 42 3.261 21.434 -11.887 1.00 35.32 H new ATOM 682 N GLU A 43 4.629 19.898 -9.768 1.00 53.42 N ATOM 683 CA GLU A 43 5.906 19.749 -9.023 1.00 35.11 C ATOM 684 C GLU A 43 6.070 18.258 -8.767 1.00 40.32 C ATOM 685 O GLU A 43 7.098 17.659 -9.027 1.00 20.44 O ATOM 686 CB GLU A 43 5.772 20.541 -7.704 1.00 1.41 C ATOM 687 CG GLU A 43 4.316 20.604 -7.218 1.00 12.23 C ATOM 688 CD GLU A 43 4.289 21.039 -5.751 1.00 64.45 C ATOM 689 OE1 GLU A 43 5.157 21.803 -5.363 1.00 23.13 O ATOM 690 OE2 GLU A 43 3.399 20.601 -5.040 1.00 60.02 O ATOM 0 H GLU A 43 3.937 20.529 -9.364 1.00 53.42 H new ATOM 0 HA GLU A 43 6.774 20.129 -9.562 1.00 35.11 H new ATOM 0 HB2 GLU A 43 6.391 20.076 -6.937 1.00 1.41 H new ATOM 0 HB3 GLU A 43 6.151 21.553 -7.848 1.00 1.41 H new ATOM 0 HG2 GLU A 43 3.747 21.306 -7.828 1.00 12.23 H new ATOM 0 HG3 GLU A 43 3.841 19.629 -7.329 1.00 12.23 H new ATOM 697 N ALA A 44 5.014 17.653 -8.319 1.00 31.14 N ATOM 698 CA ALA A 44 5.008 16.196 -8.081 1.00 24.24 C ATOM 699 C ALA A 44 4.892 15.478 -9.406 1.00 52.21 C ATOM 700 O ALA A 44 5.697 14.642 -9.762 1.00 42.40 O ATOM 701 CB ALA A 44 3.725 15.973 -7.318 1.00 14.22 C ATOM 0 H ALA A 44 4.134 18.122 -8.103 1.00 31.14 H new ATOM 0 HA ALA A 44 5.901 15.843 -7.566 1.00 24.24 H new ATOM 0 HB1 ALA A 44 3.619 14.913 -7.087 1.00 14.22 H new ATOM 0 HB2 ALA A 44 3.749 16.546 -6.391 1.00 14.22 H new ATOM 0 HB3 ALA A 44 2.880 16.299 -7.924 1.00 14.22 H new ATOM 707 N ARG A 45 3.871 15.815 -10.138 1.00 41.21 N ATOM 708 CA ARG A 45 3.661 15.178 -11.445 1.00 40.44 C ATOM 709 C ARG A 45 4.961 15.274 -12.232 1.00 21.43 C ATOM 710 O ARG A 45 5.507 14.284 -12.671 1.00 43.54 O ATOM 711 CB ARG A 45 2.546 15.988 -12.106 1.00 22.43 C ATOM 712 CG ARG A 45 1.261 15.152 -12.208 1.00 75.00 C ATOM 713 CD ARG A 45 1.585 13.722 -12.659 1.00 31.04 C ATOM 714 NE ARG A 45 0.319 13.204 -13.253 1.00 51.02 N ATOM 715 CZ ARG A 45 -0.701 12.910 -12.487 1.00 31.42 C ATOM 716 NH1 ARG A 45 -0.528 12.693 -11.211 1.00 44.43 N ATOM 717 NH2 ARG A 45 -1.899 12.829 -13.001 1.00 75.13 N ATOM 0 H ARG A 45 3.172 16.511 -9.877 1.00 41.21 H new ATOM 0 HA ARG A 45 3.387 14.125 -11.384 1.00 40.44 H new ATOM 0 HB2 ARG A 45 2.354 16.892 -11.528 1.00 22.43 H new ATOM 0 HB3 ARG A 45 2.860 16.306 -13.100 1.00 22.43 H new ATOM 0 HG2 ARG A 45 0.757 15.130 -11.242 1.00 75.00 H new ATOM 0 HG3 ARG A 45 0.574 15.616 -12.915 1.00 75.00 H new ATOM 0 HD2 ARG A 45 2.395 13.713 -13.388 1.00 31.04 H new ATOM 0 HD3 ARG A 45 1.906 13.107 -11.818 1.00 31.04 H new ATOM 0 HE ARG A 45 0.247 13.078 -14.263 1.00 51.02 H new ATOM 0 HH11 ARG A 45 0.406 12.752 -10.806 1.00 44.43 H new ATOM 0 HH12 ARG A 45 -1.327 12.464 -10.620 1.00 44.43 H new ATOM 0 HH21 ARG A 45 -2.039 12.995 -13.998 1.00 75.13 H new ATOM 0 HH22 ARG A 45 -2.695 12.600 -12.406 1.00 75.13 H new ATOM 731 N PHE A 46 5.490 16.460 -12.378 1.00 53.23 N ATOM 732 CA PHE A 46 6.777 16.586 -13.101 1.00 14.04 C ATOM 733 C PHE A 46 7.740 15.610 -12.487 1.00 64.55 C ATOM 734 O PHE A 46 8.260 14.740 -13.145 1.00 20.20 O ATOM 735 CB PHE A 46 7.321 17.984 -12.839 1.00 54.32 C ATOM 736 CG PHE A 46 8.708 18.051 -13.428 1.00 44.04 C ATOM 737 CD1 PHE A 46 8.997 17.389 -14.631 1.00 53.13 C ATOM 738 CD2 PHE A 46 9.710 18.748 -12.758 1.00 71.45 C ATOM 739 CE1 PHE A 46 10.294 17.439 -15.156 1.00 14.21 C ATOM 740 CE2 PHE A 46 11.003 18.801 -13.283 1.00 44.44 C ATOM 741 CZ PHE A 46 11.297 18.147 -14.483 1.00 15.03 C ATOM 0 H PHE A 46 5.090 17.332 -12.032 1.00 53.23 H new ATOM 0 HA PHE A 46 6.648 16.403 -14.168 1.00 14.04 H new ATOM 0 HB2 PHE A 46 6.676 18.737 -13.292 1.00 54.32 H new ATOM 0 HB3 PHE A 46 7.349 18.190 -11.769 1.00 54.32 H new ATOM 0 HD1 PHE A 46 8.223 16.843 -15.150 1.00 53.13 H new ATOM 0 HD2 PHE A 46 9.486 19.250 -11.828 1.00 71.45 H new ATOM 0 HE1 PHE A 46 10.521 16.931 -16.081 1.00 14.21 H new ATOM 0 HE2 PHE A 46 11.776 19.347 -12.762 1.00 44.44 H new ATOM 0 HZ PHE A 46 12.296 18.188 -14.890 1.00 15.03 H new ATOM 751 N LYS A 47 7.981 15.732 -11.211 1.00 73.31 N ATOM 752 CA LYS A 47 8.906 14.773 -10.594 1.00 22.34 C ATOM 753 C LYS A 47 8.426 13.383 -10.967 1.00 33.34 C ATOM 754 O LYS A 47 9.217 12.500 -11.213 1.00 34.34 O ATOM 755 CB LYS A 47 8.847 15.009 -9.094 1.00 0.21 C ATOM 756 CG LYS A 47 9.622 16.284 -8.761 1.00 44.00 C ATOM 757 CD LYS A 47 10.734 15.962 -7.758 1.00 60.03 C ATOM 758 CE LYS A 47 10.147 15.205 -6.565 1.00 23.24 C ATOM 759 NZ LYS A 47 10.869 15.739 -5.376 1.00 40.35 N ATOM 0 H LYS A 47 7.584 16.438 -10.592 1.00 73.31 H new ATOM 0 HA LYS A 47 9.937 14.886 -10.930 1.00 22.34 H new ATOM 0 HB2 LYS A 47 7.811 15.102 -8.768 1.00 0.21 H new ATOM 0 HB3 LYS A 47 9.274 14.159 -8.562 1.00 0.21 H new ATOM 0 HG2 LYS A 47 10.049 16.709 -9.669 1.00 44.00 H new ATOM 0 HG3 LYS A 47 8.948 17.033 -8.344 1.00 44.00 H new ATOM 0 HD2 LYS A 47 11.507 15.362 -8.238 1.00 60.03 H new ATOM 0 HD3 LYS A 47 11.209 16.882 -7.419 1.00 60.03 H new ATOM 0 HE2 LYS A 47 9.073 15.371 -6.482 1.00 23.24 H new ATOM 0 HE3 LYS A 47 10.296 14.130 -6.667 1.00 23.24 H new ATOM 0 HZ1 LYS A 47 10.520 15.267 -4.517 1.00 40.35 H new ATOM 0 HZ2 LYS A 47 11.888 15.560 -5.480 1.00 40.35 H new ATOM 0 HZ3 LYS A 47 10.703 16.763 -5.300 1.00 40.35 H new ATOM 773 N GLU A 48 7.126 13.197 -11.078 1.00 21.41 N ATOM 774 CA GLU A 48 6.619 11.890 -11.511 1.00 72.30 C ATOM 775 C GLU A 48 7.110 11.680 -12.921 1.00 14.25 C ATOM 776 O GLU A 48 7.521 10.602 -13.306 1.00 34.15 O ATOM 777 CB GLU A 48 5.103 12.012 -11.493 1.00 55.44 C ATOM 778 CG GLU A 48 4.564 11.013 -10.511 1.00 61.00 C ATOM 779 CD GLU A 48 3.130 11.378 -10.120 1.00 22.32 C ATOM 780 OE1 GLU A 48 2.220 10.941 -10.806 1.00 5.24 O ATOM 781 OE2 GLU A 48 2.966 12.088 -9.142 1.00 52.11 O ATOM 0 H GLU A 48 6.414 13.901 -10.884 1.00 21.41 H new ATOM 0 HA GLU A 48 6.944 11.060 -10.884 1.00 72.30 H new ATOM 0 HB2 GLU A 48 4.806 13.022 -11.210 1.00 55.44 H new ATOM 0 HB3 GLU A 48 4.695 11.827 -12.487 1.00 55.44 H new ATOM 0 HG2 GLU A 48 4.587 10.014 -10.947 1.00 61.00 H new ATOM 0 HG3 GLU A 48 5.196 10.988 -9.623 1.00 61.00 H new ATOM 788 N VAL A 49 7.088 12.714 -13.701 1.00 13.10 N ATOM 789 CA VAL A 49 7.585 12.568 -15.075 1.00 64.21 C ATOM 790 C VAL A 49 9.040 12.402 -15.022 1.00 60.24 C ATOM 791 O VAL A 49 9.571 11.431 -15.415 1.00 12.12 O ATOM 792 CB VAL A 49 7.340 13.863 -15.772 1.00 3.12 C ATOM 793 CG1 VAL A 49 7.752 13.684 -17.201 1.00 3.40 C ATOM 794 CG2 VAL A 49 5.891 14.189 -15.692 1.00 52.44 C ATOM 0 H VAL A 49 6.750 13.642 -13.446 1.00 13.10 H new ATOM 0 HA VAL A 49 7.102 11.726 -15.572 1.00 64.21 H new ATOM 0 HB VAL A 49 7.905 14.675 -15.315 1.00 3.12 H new ATOM 0 HG11 VAL A 49 7.587 14.613 -17.746 1.00 3.40 H new ATOM 0 HG12 VAL A 49 8.809 13.420 -17.245 1.00 3.40 H new ATOM 0 HG13 VAL A 49 7.160 12.888 -17.653 1.00 3.40 H new ATOM 0 HG21 VAL A 49 5.702 15.135 -16.199 1.00 52.44 H new ATOM 0 HG22 VAL A 49 5.313 13.399 -16.171 1.00 52.44 H new ATOM 0 HG23 VAL A 49 5.594 14.272 -14.647 1.00 52.44 H new ATOM 804 N ALA A 50 9.681 13.360 -14.499 1.00 11.55 N ATOM 805 CA ALA A 50 11.124 13.287 -14.390 1.00 44.24 C ATOM 806 C ALA A 50 11.500 11.919 -13.839 1.00 15.44 C ATOM 807 O ALA A 50 12.281 11.222 -14.435 1.00 54.20 O ATOM 808 CB ALA A 50 11.393 14.397 -13.435 1.00 53.34 C ATOM 0 H ALA A 50 9.259 14.213 -14.132 1.00 11.55 H new ATOM 0 HA ALA A 50 11.691 13.390 -15.316 1.00 44.24 H new ATOM 0 HB1 ALA A 50 12.465 14.467 -13.251 1.00 53.34 H new ATOM 0 HB2 ALA A 50 11.036 15.336 -13.858 1.00 53.34 H new ATOM 0 HB3 ALA A 50 10.875 14.202 -12.496 1.00 53.34 H new ATOM 814 N GLU A 51 10.899 11.491 -12.756 1.00 73.33 N ATOM 815 CA GLU A 51 11.207 10.122 -12.259 1.00 10.31 C ATOM 816 C GLU A 51 10.719 9.130 -13.293 1.00 24.23 C ATOM 817 O GLU A 51 11.423 8.206 -13.644 1.00 1.30 O ATOM 818 CB GLU A 51 10.468 9.952 -10.946 1.00 34.44 C ATOM 819 CG GLU A 51 8.988 9.752 -11.185 1.00 31.32 C ATOM 820 CD GLU A 51 8.304 9.427 -9.856 1.00 25.43 C ATOM 821 OE1 GLU A 51 7.918 10.357 -9.167 1.00 24.32 O ATOM 822 OE2 GLU A 51 8.185 8.254 -9.544 1.00 2.34 O ATOM 0 H GLU A 51 10.222 12.021 -12.207 1.00 73.33 H new ATOM 0 HA GLU A 51 12.274 9.962 -12.101 1.00 10.31 H new ATOM 0 HB2 GLU A 51 10.872 9.097 -10.404 1.00 34.44 H new ATOM 0 HB3 GLU A 51 10.624 10.830 -10.319 1.00 34.44 H new ATOM 0 HG2 GLU A 51 8.553 10.651 -11.621 1.00 31.32 H new ATOM 0 HG3 GLU A 51 8.828 8.943 -11.897 1.00 31.32 H new ATOM 829 N ALA A 52 9.553 9.349 -13.853 1.00 34.11 N ATOM 830 CA ALA A 52 9.114 8.436 -14.931 1.00 42.10 C ATOM 831 C ALA A 52 10.170 8.571 -15.973 1.00 62.22 C ATOM 832 O ALA A 52 10.843 7.696 -16.432 1.00 43.30 O ATOM 833 CB ALA A 52 7.848 9.047 -15.502 1.00 64.14 C ATOM 0 H ALA A 52 8.908 10.102 -13.612 1.00 34.11 H new ATOM 0 HA ALA A 52 8.955 7.407 -14.609 1.00 42.10 H new ATOM 0 HB1 ALA A 52 7.471 8.417 -16.307 1.00 64.14 H new ATOM 0 HB2 ALA A 52 7.095 9.123 -14.718 1.00 64.14 H new ATOM 0 HB3 ALA A 52 8.067 10.041 -15.892 1.00 64.14 H new ATOM 839 N TRP A 53 10.318 9.709 -16.320 1.00 33.22 N ATOM 840 CA TRP A 53 11.304 10.046 -17.281 1.00 51.32 C ATOM 841 C TRP A 53 12.642 9.427 -16.882 1.00 5.41 C ATOM 842 O TRP A 53 13.395 9.020 -17.731 1.00 64.12 O ATOM 843 CB TRP A 53 11.294 11.527 -17.218 1.00 72.31 C ATOM 844 CG TRP A 53 12.365 11.962 -18.063 1.00 72.13 C ATOM 845 CD1 TRP A 53 13.361 12.764 -17.717 1.00 64.04 C ATOM 846 CD2 TRP A 53 12.563 11.571 -19.399 1.00 60.00 C ATOM 847 NE1 TRP A 53 14.208 12.890 -18.797 1.00 51.41 N ATOM 848 CE2 TRP A 53 13.734 12.163 -19.870 1.00 53.12 C ATOM 849 CE3 TRP A 53 11.821 10.755 -20.241 1.00 43.54 C ATOM 850 CZ2 TRP A 53 14.161 11.941 -21.150 1.00 74.14 C ATOM 851 CZ3 TRP A 53 12.225 10.538 -21.518 1.00 35.22 C ATOM 852 CH2 TRP A 53 13.404 11.130 -21.989 1.00 72.13 C ATOM 0 H TRP A 53 9.772 10.496 -15.969 1.00 33.22 H new ATOM 0 HA TRP A 53 11.125 9.679 -18.292 1.00 51.32 H new ATOM 0 HB2 TRP A 53 10.339 11.926 -17.560 1.00 72.31 H new ATOM 0 HB3 TRP A 53 11.437 11.876 -16.195 1.00 72.31 H new ATOM 0 HD1 TRP A 53 13.487 13.237 -16.755 1.00 64.04 H new ATOM 0 HE1 TRP A 53 15.065 13.443 -18.802 1.00 51.41 H new ATOM 0 HE3 TRP A 53 10.917 10.290 -19.878 1.00 43.54 H new ATOM 0 HZ2 TRP A 53 15.076 12.391 -21.506 1.00 74.14 H new ATOM 0 HZ3 TRP A 53 11.638 9.909 -22.171 1.00 35.22 H new ATOM 0 HH2 TRP A 53 13.726 10.956 -23.005 1.00 72.13 H new ATOM 863 N GLU A 54 12.936 9.257 -15.609 1.00 13.52 N ATOM 864 CA GLU A 54 14.210 8.557 -15.315 1.00 12.23 C ATOM 865 C GLU A 54 14.007 7.194 -15.904 1.00 50.30 C ATOM 866 O GLU A 54 14.543 6.845 -16.919 1.00 15.45 O ATOM 867 CB GLU A 54 14.317 8.370 -13.794 1.00 43.54 C ATOM 868 CG GLU A 54 14.361 9.694 -13.066 1.00 21.33 C ATOM 869 CD GLU A 54 15.738 10.339 -13.227 1.00 75.23 C ATOM 870 OE1 GLU A 54 16.687 9.612 -13.469 1.00 45.42 O ATOM 871 OE2 GLU A 54 15.821 11.551 -13.105 1.00 24.04 O ATOM 0 H GLU A 54 12.378 9.557 -14.809 1.00 13.52 H new ATOM 0 HA GLU A 54 15.085 9.086 -15.692 1.00 12.23 H new ATOM 0 HB2 GLU A 54 13.466 7.788 -13.439 1.00 43.54 H new ATOM 0 HB3 GLU A 54 15.215 7.797 -13.561 1.00 43.54 H new ATOM 0 HG2 GLU A 54 13.592 10.359 -13.458 1.00 21.33 H new ATOM 0 HG3 GLU A 54 14.143 9.543 -12.009 1.00 21.33 H new ATOM 878 N VAL A 55 13.117 6.474 -15.301 1.00 42.45 N ATOM 879 CA VAL A 55 12.736 5.141 -15.795 1.00 25.11 C ATOM 880 C VAL A 55 12.580 5.136 -17.255 1.00 30.44 C ATOM 881 O VAL A 55 13.250 4.440 -17.956 1.00 51.24 O ATOM 882 CB VAL A 55 11.387 4.836 -15.147 1.00 22.34 C ATOM 883 CG1 VAL A 55 11.568 4.187 -13.805 1.00 55.31 C ATOM 884 CG2 VAL A 55 10.617 6.070 -14.918 1.00 12.40 C ATOM 0 H VAL A 55 12.623 6.768 -14.458 1.00 42.45 H new ATOM 0 HA VAL A 55 13.501 4.405 -15.549 1.00 25.11 H new ATOM 0 HB VAL A 55 10.860 4.172 -15.832 1.00 22.34 H new ATOM 0 HG11 VAL A 55 10.592 3.981 -13.366 1.00 55.31 H new ATOM 0 HG12 VAL A 55 12.117 3.253 -13.924 1.00 55.31 H new ATOM 0 HG13 VAL A 55 12.127 4.856 -13.150 1.00 55.31 H new ATOM 0 HG21 VAL A 55 9.661 5.822 -14.456 1.00 12.40 H new ATOM 0 HG22 VAL A 55 11.178 6.732 -14.258 1.00 12.40 H new ATOM 0 HG23 VAL A 55 10.441 6.571 -15.870 1.00 12.40 H new ATOM 894 N LEU A 56 11.717 5.907 -17.712 1.00 23.12 N ATOM 895 CA LEU A 56 11.475 5.933 -19.139 1.00 71.31 C ATOM 896 C LEU A 56 12.739 6.331 -19.885 1.00 54.24 C ATOM 897 O LEU A 56 13.058 5.795 -20.928 1.00 53.32 O ATOM 898 CB LEU A 56 10.352 6.924 -19.284 1.00 64.41 C ATOM 899 CG LEU A 56 9.295 6.696 -18.221 1.00 34.11 C ATOM 900 CD1 LEU A 56 8.007 7.256 -18.692 1.00 75.24 C ATOM 901 CD2 LEU A 56 9.150 5.224 -17.936 1.00 21.41 C ATOM 0 H LEU A 56 11.145 6.544 -17.157 1.00 23.12 H new ATOM 0 HA LEU A 56 11.205 4.967 -19.566 1.00 71.31 H new ATOM 0 HB2 LEU A 56 10.743 7.938 -19.203 1.00 64.41 H new ATOM 0 HB3 LEU A 56 9.905 6.832 -20.274 1.00 64.41 H new ATOM 0 HG LEU A 56 9.594 7.195 -17.299 1.00 34.11 H new ATOM 0 HD11 LEU A 56 7.241 7.096 -17.933 1.00 75.24 H new ATOM 0 HD12 LEU A 56 8.120 8.325 -18.874 1.00 75.24 H new ATOM 0 HD13 LEU A 56 7.711 6.760 -19.616 1.00 75.24 H new ATOM 0 HD21 LEU A 56 8.388 5.075 -17.171 1.00 21.41 H new ATOM 0 HD22 LEU A 56 8.856 4.704 -18.848 1.00 21.41 H new ATOM 0 HD23 LEU A 56 10.101 4.826 -17.583 1.00 21.41 H new ATOM 913 N SER A 57 13.475 7.238 -19.338 1.00 2.42 N ATOM 914 CA SER A 57 14.757 7.649 -20.000 1.00 13.50 C ATOM 915 C SER A 57 15.927 6.854 -19.402 1.00 42.44 C ATOM 916 O SER A 57 17.082 7.152 -19.638 1.00 14.41 O ATOM 917 CB SER A 57 14.918 9.145 -19.727 1.00 53.02 C ATOM 918 OG SER A 57 15.911 9.679 -20.591 1.00 2.25 O ATOM 0 H SER A 57 13.259 7.720 -18.465 1.00 2.42 H new ATOM 0 HA SER A 57 14.744 7.451 -21.072 1.00 13.50 H new ATOM 0 HB2 SER A 57 13.969 9.659 -19.884 1.00 53.02 H new ATOM 0 HB3 SER A 57 15.200 9.308 -18.687 1.00 53.02 H new ATOM 0 HG SER A 57 15.501 10.332 -21.196 1.00 2.25 H new ATOM 924 N ASP A 58 15.628 5.837 -18.637 1.00 51.32 N ATOM 925 CA ASP A 58 16.702 5.002 -18.024 1.00 15.43 C ATOM 926 C ASP A 58 16.506 3.553 -18.435 1.00 21.44 C ATOM 927 O ASP A 58 15.562 2.913 -18.015 1.00 53.55 O ATOM 928 CB ASP A 58 16.528 5.097 -16.500 1.00 10.04 C ATOM 929 CG ASP A 58 17.883 5.362 -15.841 1.00 54.51 C ATOM 930 OD1 ASP A 58 18.727 5.961 -16.486 1.00 34.43 O ATOM 931 OD2 ASP A 58 18.052 4.965 -14.700 1.00 73.34 O ATOM 0 H ASP A 58 14.677 5.547 -18.409 1.00 51.32 H new ATOM 0 HA ASP A 58 17.687 5.343 -18.342 1.00 15.43 H new ATOM 0 HB2 ASP A 58 15.830 5.897 -16.253 1.00 10.04 H new ATOM 0 HB3 ASP A 58 16.100 4.171 -16.115 1.00 10.04 H new ATOM 936 N GLU A 59 17.378 3.012 -19.227 1.00 11.43 N ATOM 937 CA GLU A 59 17.203 1.592 -19.610 1.00 53.31 C ATOM 938 C GLU A 59 16.924 0.781 -18.344 1.00 41.54 C ATOM 939 O GLU A 59 16.121 -0.134 -18.337 1.00 73.03 O ATOM 940 CB GLU A 59 18.532 1.179 -20.242 1.00 74.32 C ATOM 941 CG GLU A 59 18.401 1.204 -21.765 1.00 52.30 C ATOM 942 CD GLU A 59 19.181 2.396 -22.325 1.00 34.01 C ATOM 943 OE1 GLU A 59 19.646 3.199 -21.533 1.00 5.43 O ATOM 944 OE2 GLU A 59 19.298 2.486 -23.536 1.00 61.33 O ATOM 0 H GLU A 59 18.193 3.482 -19.621 1.00 11.43 H new ATOM 0 HA GLU A 59 16.376 1.430 -20.301 1.00 53.31 H new ATOM 0 HB2 GLU A 59 19.325 1.856 -19.923 1.00 74.32 H new ATOM 0 HB3 GLU A 59 18.812 0.180 -19.907 1.00 74.32 H new ATOM 0 HG2 GLU A 59 18.782 0.275 -22.189 1.00 52.30 H new ATOM 0 HG3 GLU A 59 17.351 1.277 -22.049 1.00 52.30 H new ATOM 951 N GLN A 60 17.564 1.135 -17.258 1.00 31.13 N ATOM 952 CA GLN A 60 17.326 0.400 -15.993 1.00 65.34 C ATOM 953 C GLN A 60 16.020 0.862 -15.361 1.00 74.34 C ATOM 954 O GLN A 60 15.104 0.084 -15.204 1.00 22.45 O ATOM 955 CB GLN A 60 18.520 0.721 -15.099 1.00 2.10 C ATOM 956 CG GLN A 60 19.215 -0.588 -14.726 1.00 5.41 C ATOM 957 CD GLN A 60 20.464 -0.287 -13.896 1.00 1.12 C ATOM 958 OE1 GLN A 60 21.564 -0.619 -14.290 1.00 23.33 O ATOM 959 NE2 GLN A 60 20.338 0.332 -12.755 1.00 34.34 N ATOM 0 H GLN A 60 18.237 1.899 -17.199 1.00 31.13 H new ATOM 0 HA GLN A 60 17.235 -0.675 -16.150 1.00 65.34 H new ATOM 0 HB2 GLN A 60 19.213 1.383 -15.617 1.00 2.10 H new ATOM 0 HB3 GLN A 60 18.191 1.244 -14.201 1.00 2.10 H new ATOM 0 HG2 GLN A 60 18.535 -1.224 -14.160 1.00 5.41 H new ATOM 0 HG3 GLN A 60 19.488 -1.136 -15.628 1.00 5.41 H new ATOM 0 HE21 GLN A 60 19.414 0.610 -12.425 1.00 34.34 H new ATOM 0 HE22 GLN A 60 21.164 0.538 -12.193 1.00 34.34 H new ATOM 968 N ARG A 61 15.895 2.110 -14.997 1.00 31.05 N ATOM 969 CA ARG A 61 14.603 2.517 -14.396 1.00 54.12 C ATOM 970 C ARG A 61 13.463 2.147 -15.363 1.00 43.03 C ATOM 971 O ARG A 61 12.516 1.547 -14.949 1.00 43.14 O ATOM 972 CB ARG A 61 14.646 4.024 -14.105 1.00 40.23 C ATOM 973 CG ARG A 61 15.643 4.343 -13.033 1.00 41.42 C ATOM 974 CD ARG A 61 15.364 3.486 -11.799 1.00 31.00 C ATOM 975 NE ARG A 61 15.986 4.231 -10.669 1.00 14.32 N ATOM 976 CZ ARG A 61 16.513 3.580 -9.668 1.00 63.24 C ATOM 977 NH1 ARG A 61 15.766 3.211 -8.664 1.00 60.32 N ATOM 978 NH2 ARG A 61 17.787 3.300 -9.672 1.00 11.41 N ATOM 0 H ARG A 61 16.604 2.837 -15.086 1.00 31.05 H new ATOM 0 HA ARG A 61 14.425 1.997 -13.455 1.00 54.12 H new ATOM 0 HB2 ARG A 61 14.902 4.565 -15.016 1.00 40.23 H new ATOM 0 HB3 ARG A 61 13.657 4.366 -13.799 1.00 40.23 H new ATOM 0 HG2 ARG A 61 16.654 4.157 -13.396 1.00 41.42 H new ATOM 0 HG3 ARG A 61 15.587 5.400 -12.774 1.00 41.42 H new ATOM 0 HD2 ARG A 61 14.293 3.353 -11.643 1.00 31.00 H new ATOM 0 HD3 ARG A 61 15.797 2.491 -11.902 1.00 31.00 H new ATOM 0 HE ARG A 61 16.000 5.251 -10.678 1.00 14.32 H new ATOM 0 HH11 ARG A 61 14.770 3.431 -8.661 1.00 60.32 H new ATOM 0 HH12 ARG A 61 16.178 2.702 -7.882 1.00 60.32 H new ATOM 0 HH21 ARG A 61 18.370 3.590 -10.457 1.00 11.41 H new ATOM 0 HH22 ARG A 61 18.200 2.791 -8.890 1.00 11.41 H new ATOM 992 N ARG A 62 13.512 2.450 -16.649 1.00 51.42 N ATOM 993 CA ARG A 62 12.345 1.990 -17.479 1.00 42.53 C ATOM 994 C ARG A 62 12.258 0.482 -17.298 1.00 42.30 C ATOM 995 O ARG A 62 11.202 -0.071 -17.140 1.00 24.44 O ATOM 996 CB ARG A 62 12.578 2.269 -18.961 1.00 11.44 C ATOM 997 CG ARG A 62 11.201 2.427 -19.605 1.00 2.11 C ATOM 998 CD ARG A 62 11.330 2.358 -21.129 1.00 24.12 C ATOM 999 NE ARG A 62 10.699 1.065 -21.516 1.00 1.31 N ATOM 1000 CZ ARG A 62 11.289 -0.067 -21.236 1.00 74.34 C ATOM 1001 NH1 ARG A 62 12.581 -0.107 -21.041 1.00 52.33 N ATOM 1002 NH2 ARG A 62 10.585 -1.163 -21.158 1.00 52.21 N ATOM 0 H ARG A 62 14.253 2.959 -17.130 1.00 51.42 H new ATOM 0 HA ARG A 62 11.440 2.512 -17.167 1.00 42.53 H new ATOM 0 HB2 ARG A 62 13.173 3.172 -19.095 1.00 11.44 H new ATOM 0 HB3 ARG A 62 13.130 1.452 -19.426 1.00 11.44 H new ATOM 0 HG2 ARG A 62 10.532 1.642 -19.252 1.00 2.11 H new ATOM 0 HG3 ARG A 62 10.759 3.379 -19.311 1.00 2.11 H new ATOM 0 HD2 ARG A 62 10.827 3.200 -21.605 1.00 24.12 H new ATOM 0 HD3 ARG A 62 12.375 2.394 -21.438 1.00 24.12 H new ATOM 0 HE ARG A 62 9.802 1.063 -22.002 1.00 1.31 H new ATOM 0 HH11 ARG A 62 13.133 0.748 -21.107 1.00 52.33 H new ATOM 0 HH12 ARG A 62 13.037 -0.993 -20.823 1.00 52.33 H new ATOM 0 HH21 ARG A 62 9.578 -1.134 -21.315 1.00 52.21 H new ATOM 0 HH22 ARG A 62 11.042 -2.048 -20.940 1.00 52.21 H new ATOM 1016 N ALA A 63 13.387 -0.193 -17.315 1.00 11.45 N ATOM 1017 CA ALA A 63 13.365 -1.669 -17.119 1.00 1.21 C ATOM 1018 C ALA A 63 12.705 -1.970 -15.778 1.00 73.31 C ATOM 1019 O ALA A 63 11.700 -2.644 -15.709 1.00 44.11 O ATOM 1020 CB ALA A 63 14.828 -2.096 -17.091 1.00 33.34 C ATOM 0 H ALA A 63 14.311 0.216 -17.455 1.00 11.45 H new ATOM 0 HA ALA A 63 12.813 -2.192 -17.900 1.00 1.21 H new ATOM 0 HB1 ALA A 63 14.889 -3.175 -16.949 1.00 33.34 H new ATOM 0 HB2 ALA A 63 15.304 -1.826 -18.034 1.00 33.34 H new ATOM 0 HB3 ALA A 63 15.338 -1.593 -16.270 1.00 33.34 H new ATOM 1026 N GLU A 64 13.246 -1.439 -14.713 1.00 14.23 N ATOM 1027 CA GLU A 64 12.623 -1.659 -13.384 1.00 10.22 C ATOM 1028 C GLU A 64 11.207 -1.104 -13.445 1.00 32.43 C ATOM 1029 O GLU A 64 10.253 -1.736 -13.029 1.00 44.50 O ATOM 1030 CB GLU A 64 13.481 -0.865 -12.398 1.00 61.54 C ATOM 1031 CG GLU A 64 14.794 -1.611 -12.156 1.00 74.51 C ATOM 1032 CD GLU A 64 14.510 -2.900 -11.385 1.00 0.12 C ATOM 1033 OE1 GLU A 64 14.390 -2.828 -10.173 1.00 73.21 O ATOM 1034 OE2 GLU A 64 14.415 -3.938 -12.019 1.00 41.04 O ATOM 0 H GLU A 64 14.089 -0.865 -14.710 1.00 14.23 H new ATOM 0 HA GLU A 64 12.572 -2.707 -13.089 1.00 10.22 H new ATOM 0 HB2 GLU A 64 13.683 0.131 -12.793 1.00 61.54 H new ATOM 0 HB3 GLU A 64 12.946 -0.732 -11.458 1.00 61.54 H new ATOM 0 HG2 GLU A 64 15.275 -1.841 -13.107 1.00 74.51 H new ATOM 0 HG3 GLU A 64 15.484 -0.982 -11.594 1.00 74.51 H new ATOM 1041 N TYR A 65 11.061 0.071 -14.002 1.00 71.42 N ATOM 1042 CA TYR A 65 9.715 0.654 -14.137 1.00 71.12 C ATOM 1043 C TYR A 65 8.846 -0.370 -14.820 1.00 44.23 C ATOM 1044 O TYR A 65 7.837 -0.808 -14.326 1.00 12.13 O ATOM 1045 CB TYR A 65 9.861 1.863 -15.077 1.00 32.14 C ATOM 1046 CG TYR A 65 8.511 2.407 -15.316 1.00 30.24 C ATOM 1047 CD1 TYR A 65 7.647 2.510 -14.244 1.00 74.14 C ATOM 1048 CD2 TYR A 65 8.109 2.810 -16.594 1.00 15.04 C ATOM 1049 CE1 TYR A 65 6.390 3.007 -14.427 1.00 45.50 C ATOM 1050 CE2 TYR A 65 6.825 3.302 -16.779 1.00 40.22 C ATOM 1051 CZ TYR A 65 5.960 3.404 -15.695 1.00 72.55 C ATOM 1052 OH TYR A 65 4.678 3.867 -15.883 1.00 71.42 O ATOM 0 H TYR A 65 11.823 0.644 -14.366 1.00 71.42 H new ATOM 0 HA TYR A 65 9.288 0.940 -13.176 1.00 71.12 H new ATOM 0 HB2 TYR A 65 10.505 2.620 -14.630 1.00 32.14 H new ATOM 0 HB3 TYR A 65 10.325 1.564 -16.017 1.00 32.14 H new ATOM 0 HD1 TYR A 65 7.966 2.197 -13.261 1.00 74.14 H new ATOM 0 HD2 TYR A 65 8.791 2.739 -17.428 1.00 15.04 H new ATOM 0 HE1 TYR A 65 5.721 3.094 -13.584 1.00 45.50 H new ATOM 0 HE2 TYR A 65 6.498 3.605 -17.763 1.00 40.22 H new ATOM 0 HH TYR A 65 4.091 3.118 -16.118 1.00 71.42 H new ATOM 1062 N ASP A 66 9.279 -0.769 -15.959 1.00 3.12 N ATOM 1063 CA ASP A 66 8.522 -1.796 -16.721 1.00 54.35 C ATOM 1064 C ASP A 66 8.441 -3.080 -15.892 1.00 61.22 C ATOM 1065 O ASP A 66 7.457 -3.790 -15.921 1.00 43.43 O ATOM 1066 CB ASP A 66 9.324 -2.030 -18.002 1.00 34.54 C ATOM 1067 CG ASP A 66 8.847 -1.064 -19.088 1.00 74.45 C ATOM 1068 OD1 ASP A 66 9.141 0.114 -18.976 1.00 10.22 O ATOM 1069 OD2 ASP A 66 8.195 -1.519 -20.014 1.00 11.53 O ATOM 0 H ASP A 66 10.130 -0.433 -16.409 1.00 3.12 H new ATOM 0 HA ASP A 66 7.502 -1.483 -16.946 1.00 54.35 H new ATOM 0 HB2 ASP A 66 10.387 -1.882 -17.810 1.00 34.54 H new ATOM 0 HB3 ASP A 66 9.201 -3.060 -18.337 1.00 34.54 H new ATOM 1074 N GLN A 67 9.475 -3.369 -15.144 1.00 65.02 N ATOM 1075 CA GLN A 67 9.480 -4.598 -14.298 1.00 70.21 C ATOM 1076 C GLN A 67 8.233 -4.634 -13.417 1.00 2.30 C ATOM 1077 O GLN A 67 7.496 -5.600 -13.406 1.00 32.50 O ATOM 1078 CB GLN A 67 10.741 -4.481 -13.439 1.00 42.11 C ATOM 1079 CG GLN A 67 11.164 -5.871 -12.958 1.00 20.03 C ATOM 1080 CD GLN A 67 12.231 -5.736 -11.870 1.00 24.52 C ATOM 1081 OE1 GLN A 67 12.182 -4.827 -11.064 1.00 31.44 O ATOM 1082 NE2 GLN A 67 13.200 -6.608 -11.813 1.00 60.02 N ATOM 0 H GLN A 67 10.321 -2.802 -15.083 1.00 65.02 H new ATOM 0 HA GLN A 67 9.476 -5.511 -14.893 1.00 70.21 H new ATOM 0 HB2 GLN A 67 11.545 -4.024 -14.016 1.00 42.11 H new ATOM 0 HB3 GLN A 67 10.552 -3.831 -12.585 1.00 42.11 H new ATOM 0 HG2 GLN A 67 10.300 -6.411 -12.569 1.00 20.03 H new ATOM 0 HG3 GLN A 67 11.554 -6.453 -13.793 1.00 20.03 H new ATOM 0 HE21 GLN A 67 13.241 -7.370 -12.489 1.00 60.02 H new ATOM 0 HE22 GLN A 67 13.917 -6.527 -11.092 1.00 60.02 H new ATOM 1091 N MET A 68 7.982 -3.583 -12.685 1.00 32.10 N ATOM 1092 CA MET A 68 6.759 -3.574 -11.815 1.00 34.23 C ATOM 1093 C MET A 68 5.516 -3.424 -12.695 1.00 63.11 C ATOM 1094 O MET A 68 4.467 -3.962 -12.401 1.00 72.32 O ATOM 1095 CB MET A 68 6.853 -2.386 -10.824 1.00 51.01 C ATOM 1096 CG MET A 68 8.099 -1.523 -11.058 1.00 34.31 C ATOM 1097 SD MET A 68 8.097 -0.130 -9.899 1.00 34.50 S ATOM 1098 CE MET A 68 7.726 1.162 -11.110 1.00 11.43 C ATOM 0 H MET A 68 8.556 -2.741 -12.647 1.00 32.10 H new ATOM 0 HA MET A 68 6.690 -4.507 -11.255 1.00 34.23 H new ATOM 0 HB2 MET A 68 5.962 -1.766 -10.920 1.00 51.01 H new ATOM 0 HB3 MET A 68 6.866 -2.769 -9.803 1.00 51.01 H new ATOM 0 HG2 MET A 68 9.000 -2.122 -10.922 1.00 34.31 H new ATOM 0 HG3 MET A 68 8.112 -1.156 -12.084 1.00 34.31 H new ATOM 0 HE1 MET A 68 8.489 1.939 -11.059 1.00 11.43 H new ATOM 0 HE2 MET A 68 7.714 0.730 -12.111 1.00 11.43 H new ATOM 0 HE3 MET A 68 6.751 1.597 -10.891 1.00 11.43 H new ATOM 1108 N TRP A 69 5.624 -2.696 -13.775 1.00 43.02 N ATOM 1109 CA TRP A 69 4.443 -2.514 -14.673 1.00 31.41 C ATOM 1110 C TRP A 69 3.998 -3.872 -15.257 1.00 25.30 C ATOM 1111 O TRP A 69 3.624 -4.766 -14.525 1.00 0.52 O ATOM 1112 CB TRP A 69 4.926 -1.536 -15.755 1.00 13.40 C ATOM 1113 CG TRP A 69 3.812 -0.611 -16.160 1.00 0.11 C ATOM 1114 CD1 TRP A 69 3.946 0.728 -16.282 1.00 33.44 C ATOM 1115 CD2 TRP A 69 2.416 -0.910 -16.492 1.00 14.51 C ATOM 1116 NE1 TRP A 69 2.736 1.272 -16.667 1.00 1.33 N ATOM 1117 CE2 TRP A 69 1.763 0.307 -16.811 1.00 23.24 C ATOM 1118 CE3 TRP A 69 1.657 -2.095 -16.549 1.00 52.31 C ATOM 1119 CZ2 TRP A 69 0.416 0.345 -17.174 1.00 74.30 C ATOM 1120 CZ3 TRP A 69 0.301 -2.058 -16.915 1.00 44.23 C ATOM 1121 CH2 TRP A 69 -0.318 -0.840 -17.225 1.00 42.13 C ATOM 0 H TRP A 69 6.475 -2.221 -14.074 1.00 43.02 H new ATOM 0 HA TRP A 69 3.567 -2.122 -14.156 1.00 31.41 H new ATOM 0 HB2 TRP A 69 5.770 -0.957 -15.380 1.00 13.40 H new ATOM 0 HB3 TRP A 69 5.281 -2.091 -16.624 1.00 13.40 H new ATOM 0 HD1 TRP A 69 4.855 1.285 -16.106 1.00 33.44 H new ATOM 0 HE1 TRP A 69 2.581 2.268 -16.826 1.00 1.33 H new ATOM 0 HE3 TRP A 69 2.121 -3.040 -16.309 1.00 52.31 H new ATOM 0 HZ2 TRP A 69 -0.055 1.287 -17.414 1.00 74.30 H new ATOM 0 HZ3 TRP A 69 -0.268 -2.975 -16.958 1.00 44.23 H new ATOM 0 HH2 TRP A 69 -1.361 -0.819 -17.503 1.00 42.13 H new ATOM 1132 N GLN A 70 4.001 -4.034 -16.557 1.00 33.15 N ATOM 1133 CA GLN A 70 3.538 -5.324 -17.154 1.00 63.20 C ATOM 1134 C GLN A 70 4.542 -6.460 -16.920 1.00 1.34 C ATOM 1135 O GLN A 70 4.160 -7.578 -16.632 1.00 43.20 O ATOM 1136 CB GLN A 70 3.407 -5.030 -18.648 1.00 51.02 C ATOM 1137 CG GLN A 70 2.514 -3.804 -18.850 1.00 12.15 C ATOM 1138 CD GLN A 70 2.202 -3.640 -20.339 1.00 14.30 C ATOM 1139 OE1 GLN A 70 3.099 -3.549 -21.153 1.00 14.12 O ATOM 1140 NE2 GLN A 70 0.958 -3.597 -20.733 1.00 4.23 N ATOM 0 H GLN A 70 4.304 -3.329 -17.230 1.00 33.15 H new ATOM 0 HA GLN A 70 2.604 -5.658 -16.702 1.00 63.20 H new ATOM 0 HB2 GLN A 70 4.391 -4.852 -19.082 1.00 51.02 H new ATOM 0 HB3 GLN A 70 2.982 -5.892 -19.163 1.00 51.02 H new ATOM 0 HG2 GLN A 70 1.589 -3.917 -18.284 1.00 12.15 H new ATOM 0 HG3 GLN A 70 3.012 -2.912 -18.471 1.00 12.15 H new ATOM 0 HE21 GLN A 70 0.204 -3.673 -20.050 1.00 4.23 H new ATOM 0 HE22 GLN A 70 0.740 -3.487 -21.723 1.00 4.23 H new ATOM 1149 N HIS A 71 5.813 -6.198 -17.056 1.00 31.14 N ATOM 1150 CA HIS A 71 6.824 -7.281 -16.857 1.00 65.22 C ATOM 1151 C HIS A 71 6.448 -8.159 -15.660 1.00 1.33 C ATOM 1152 O HIS A 71 6.165 -9.331 -15.804 1.00 43.42 O ATOM 1153 CB HIS A 71 8.140 -6.555 -16.593 1.00 35.12 C ATOM 1154 CG HIS A 71 8.650 -5.955 -17.876 1.00 50.24 C ATOM 1155 ND1 HIS A 71 9.986 -6.018 -18.239 1.00 34.14 N ATOM 1156 CD2 HIS A 71 8.018 -5.279 -18.891 1.00 41.34 C ATOM 1157 CE1 HIS A 71 10.114 -5.396 -19.426 1.00 34.34 C ATOM 1158 NE2 HIS A 71 8.944 -4.928 -19.868 1.00 64.54 N ATOM 0 H HIS A 71 6.197 -5.284 -17.296 1.00 31.14 H new ATOM 0 HA HIS A 71 6.887 -7.941 -17.722 1.00 65.22 H new ATOM 0 HB2 HIS A 71 7.993 -5.774 -15.847 1.00 35.12 H new ATOM 0 HB3 HIS A 71 8.875 -7.249 -16.187 1.00 35.12 H new ATOM 0 HD2 HIS A 71 6.962 -5.054 -18.925 1.00 41.34 H new ATOM 0 HE1 HIS A 71 11.049 -5.289 -19.956 1.00 34.34 H new ATOM 0 HE2 HIS A 71 8.767 -4.422 -20.736 1.00 64.54 H new ATOM 1166 N ARG A 72 6.447 -7.604 -14.481 1.00 42.31 N ATOM 1167 CA ARG A 72 6.091 -8.411 -13.278 1.00 53.21 C ATOM 1168 C ARG A 72 6.784 -9.776 -13.330 1.00 13.12 C ATOM 1169 O ARG A 72 6.086 -10.775 -13.264 1.00 24.00 O ATOM 1170 CB ARG A 72 4.577 -8.579 -13.347 1.00 73.35 C ATOM 1171 CG ARG A 72 3.909 -7.431 -12.592 1.00 23.23 C ATOM 1172 CD ARG A 72 2.456 -7.304 -13.046 1.00 34.32 C ATOM 1173 NE ARG A 72 1.656 -7.373 -11.792 1.00 0.20 N ATOM 1174 CZ ARG A 72 0.390 -7.054 -11.802 1.00 51.20 C ATOM 1175 NH1 ARG A 72 -0.164 -6.604 -12.895 1.00 74.00 N ATOM 1176 NH2 ARG A 72 -0.323 -7.186 -10.717 1.00 32.40 N ATOM 1177 OXT ARG A 72 7.999 -9.798 -13.437 1.00 24.00 O ATOM 0 H ARG A 72 6.677 -6.627 -14.297 1.00 42.31 H new ATOM 0 HA ARG A 72 6.406 -7.930 -12.352 1.00 53.21 H new ATOM 0 HB2 ARG A 72 4.247 -8.588 -14.386 1.00 73.35 H new ATOM 0 HB3 ARG A 72 4.285 -9.535 -12.912 1.00 73.35 H new ATOM 0 HG2 ARG A 72 3.952 -7.614 -11.518 1.00 23.23 H new ATOM 0 HG3 ARG A 72 4.443 -6.499 -12.778 1.00 23.23 H new ATOM 0 HD2 ARG A 72 2.287 -6.364 -13.571 1.00 34.32 H new ATOM 0 HD3 ARG A 72 2.185 -8.106 -13.732 1.00 34.32 H new ATOM 0 HE ARG A 72 2.098 -7.670 -10.922 1.00 0.20 H new ATOM 0 HH11 ARG A 72 0.392 -6.501 -13.744 1.00 74.00 H new ATOM 0 HH12 ARG A 72 -1.153 -6.355 -12.900 1.00 74.00 H new ATOM 0 HH21 ARG A 72 0.109 -7.538 -9.863 1.00 32.40 H new ATOM 0 HH22 ARG A 72 -1.312 -6.937 -10.723 1.00 32.40 H new TER 1191 ARG A 72